data_25125
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25125
_Entry.PDB_ID 2MSL
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 25125
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.100 0.333 25125
2 1 1 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.574 -1.010 25125
3 1 1 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.964 2.636 25125
4 1 1 . 1 1 3 3 ARG N N 3 121.252 121.252 117.852 3.400 25125
5 1 1 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.281 0.084 25125
6 1 1 . 1 1 3 3 ARG C C 3 175.634 175.634 175.060 0.574 25125
7 1 1 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.026 -0.035 25125
8 1 1 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.147 1.150 25125
9 1 1 . 1 1 3 3 ARG H H 3 8.429 8.429 8.089 0.339 25125
10 1 1 . 1 1 4 4 GLY N N 4 107.663 107.663 107.947 -0.284 25125
11 1 1 . 1 1 4 4 GLY C C 4 171.041 171.041 173.389 -2.348 25125
12 1 1 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.391 0.925 25125
13 1 1 . 1 1 4 4 GLY H H 4 7.963 7.963 7.730 0.233 25125
14 1 1 . 1 1 5 5 ILE N N 5 122.603 122.603 124.533 -1.930 25125
15 1 1 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.041 0.658 25125
16 1 1 . 1 1 5 5 ILE C C 5 175.359 175.359 175.056 0.303 25125
17 1 1 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.620 -1.010 25125
18 1 1 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.322 0.254 25125
19 1 1 . 1 1 5 5 ILE H H 5 9.610 9.610 8.177 1.433 25125
20 1 1 . 1 1 6 6 VAL N N 6 127.905 127.905 124.652 3.253 25125
21 1 1 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.090 -0.278 25125
22 1 1 . 1 1 6 6 VAL C C 6 174.204 174.204 175.657 -1.453 25125
23 1 1 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.282 -0.723 25125
24 1 1 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.276 1.250 25125
25 1 1 . 1 1 6 6 VAL H H 6 9.090 9.090 7.895 1.195 25125
26 1 1 . 1 1 7 7 TRP N N 7 127.467 127.467 127.711 -0.244 25125
27 1 1 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.357 1.097 25125
28 1 1 . 1 1 7 7 TRP C C 7 175.056 175.056 175.272 -0.216 25125
29 1 1 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.333 -1.454 25125
30 1 1 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.643 0.491 25125
31 1 1 . 1 1 7 7 TRP H H 7 8.497 8.497 8.322 0.175 25125
32 1 1 . 1 1 8 8 VAL N N 8 122.068 122.068 116.466 5.602 25125
33 1 1 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.565 0.521 25125
34 1 1 . 1 1 8 8 VAL C C 8 173.874 173.874 174.351 -0.477 25125
35 1 1 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.060 -0.574 25125
36 1 1 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.865 -0.151 25125
37 1 1 . 1 1 8 8 VAL H H 8 8.583 8.583 9.414 -0.831 25125
38 1 1 . 1 1 9 9 VAL N N 9 127.733 127.733 125.452 2.281 25125
39 1 1 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.595 0.366 25125
40 1 1 . 1 1 9 9 VAL C C 9 173.131 173.131 173.473 -0.342 25125
41 1 1 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.005 -1.329 25125
42 1 1 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.641 0.270 25125
43 1 1 . 1 1 9 9 VAL H H 9 9.107 9.107 8.509 0.598 25125
44 1 1 . 1 1 10 10 ASP N N 10 124.306 124.306 125.093 -0.787 25125
45 1 1 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.941 -0.372 25125
46 1 1 . 1 1 10 10 ASP C C 10 175.029 175.029 174.937 0.092 25125
47 1 1 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.200 2.547 25125
48 1 1 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.949 0.161 25125
49 1 1 . 1 1 10 10 ASP H H 10 7.775 7.775 7.721 0.054 25125
50 1 1 . 1 1 11 11 ASP N N 11 126.714 126.714 118.571 8.143 25125
51 1 1 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.824 -0.289 25125
52 1 1 . 1 1 11 11 ASP C C 11 175.689 175.689 175.032 0.657 25125
53 1 1 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.906 1.812 25125
54 1 1 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.194 0.880 25125
55 1 1 . 1 1 11 11 ASP H H 11 9.033 9.033 8.647 0.386 25125
56 1 1 . 1 1 12 12 ASP N N 12 121.877 121.877 119.449 2.428 25125
57 1 1 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.893 -0.247 25125
58 1 1 . 1 1 12 12 ASP C C 12 177.036 177.036 176.168 0.868 25125
59 1 1 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.355 -0.052 25125
60 1 1 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.313 -3.149 25125
61 1 1 . 1 1 12 12 ASP H H 12 9.570 9.570 7.673 1.897 25125
62 1 1 . 1 1 13 13 SER N N 13 123.799 123.799 118.822 4.977 25125
63 1 1 . 1 1 13 13 SER HA H 13 3.761 3.761 4.267 -0.506 25125
64 1 1 . 1 1 13 13 SER C C 13 176.156 176.156 176.039 0.117 25125
65 1 1 . 1 1 13 13 SER CA C 13 61.186 61.186 61.803 -0.617 25125
66 1 1 . 1 1 13 13 SER CB C 13 62.749 62.749 63.526 -0.777 25125
67 1 1 . 1 1 13 13 SER H H 13 8.850 8.850 8.823 0.027 25125
68 1 1 . 1 1 14 14 SER N N 14 119.123 119.123 117.645 1.478 25125
69 1 1 . 1 1 14 14 SER HA H 14 4.361 4.361 4.376 -0.015 25125
70 1 1 . 1 1 14 14 SER C C 14 176.404 176.404 176.628 -0.224 25125
71 1 1 . 1 1 14 14 SER CA C 14 61.730 61.730 60.962 0.768 25125
72 1 1 . 1 1 14 14 SER CB C 14 62.548 62.548 62.575 -0.027 25125
73 1 1 . 1 1 14 14 SER H H 14 8.531 8.531 8.870 -0.339 25125
74 1 1 . 1 1 15 15 ILE N N 15 123.637 123.637 121.051 2.586 25125
75 1 1 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.984 -0.039 25125
76 1 1 . 1 1 15 15 ILE C C 15 177.861 177.861 177.560 0.301 25125
77 1 1 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.506 -1.306 25125
78 1 1 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.199 -1.313 25125
79 1 1 . 1 1 15 15 ILE H H 15 7.206 7.206 8.155 -0.949 25125
80 1 1 . 1 1 16 16 ARG N N 16 116.694 116.694 120.204 -3.510 25125
81 1 1 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.375 -0.652 25125
82 1 1 . 1 1 16 16 ARG C C 16 177.448 177.448 178.507 -1.059 25125
83 1 1 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.644 2.929 25125
84 1 1 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.825 0.622 25125
85 1 1 . 1 1 16 16 ARG H H 16 7.562 7.562 7.423 0.139 25125
86 1 1 . 1 1 17 17 TRP N N 17 116.848 116.848 123.075 -6.227 25125
87 1 1 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.220 0.251 25125
88 1 1 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.786 -1.346 25125
89 1 1 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.571 -0.279 25125
90 1 1 . 1 1 17 17 TRP H H 17 8.005 8.005 8.711 -0.706 25125
91 1 1 . 1 1 18 18 VAL N N 18 116.964 116.964 115.431 1.533 25125
92 1 1 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.715 0.960 25125
93 1 1 . 1 1 18 18 VAL C C 18 179.181 179.181 177.795 1.386 25125
94 1 1 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.444 0.264 25125
95 1 1 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.069 0.568 25125
96 1 1 . 1 1 18 18 VAL H H 18 8.110 8.110 7.525 0.585 25125
97 1 1 . 1 1 19 19 LEU N N 19 120.186 120.186 118.620 1.566 25125
98 1 1 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.067 0.008 25125
99 1 1 . 1 1 19 19 LEU C C 19 177.778 177.778 179.289 -1.511 25125
100 1 1 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.167 0.655 25125
101 1 1 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.462 0.319 25125
102 1 1 . 1 1 19 19 LEU H H 19 8.073 8.073 7.555 0.518 25125
103 1 1 . 1 1 20 20 GLU N N 20 120.193 120.193 120.673 -0.480 25125
104 1 1 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.083 -0.142 25125
105 1 1 . 1 1 20 20 GLU C C 20 178.603 178.603 178.664 -0.061 25125
106 1 1 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.389 1.221 25125
107 1 1 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.917 -0.829 25125
108 1 1 . 1 1 20 20 GLU H H 20 8.387 8.387 8.187 0.200 25125
109 1 1 . 1 1 21 21 ARG N N 21 116.076 116.076 118.847 -2.771 25125
110 1 1 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.878 0.015 25125
111 1 1 . 1 1 21 21 ARG C C 21 179.676 179.676 178.534 1.142 25125
112 1 1 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.950 -0.501 25125
113 1 1 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.024 0.829 25125
114 1 1 . 1 1 21 21 ARG H H 21 7.602 7.602 8.383 -0.781 25125
115 1 1 . 1 1 22 22 ALA N N 22 122.405 122.405 121.389 1.016 25125
116 1 1 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.033 0.064 25125
117 1 1 . 1 1 22 22 ALA C C 22 180.501 180.501 179.530 0.971 25125
118 1 1 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.594 -0.016 25125
119 1 1 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.238 0.994 25125
120 1 1 . 1 1 22 22 ALA H H 22 7.992 7.992 7.605 0.387 25125
121 1 1 . 1 1 23 23 LEU N N 23 118.026 118.026 117.915 0.111 25125
122 1 1 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.193 -0.192 25125
123 1 1 . 1 1 23 23 LEU C C 23 178.878 178.878 179.045 -0.167 25125
124 1 1 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.510 1.211 25125
125 1 1 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.047 -2.393 25125
126 1 1 . 1 1 23 23 LEU H H 23 8.825 8.825 7.484 1.341 25125
127 1 1 . 1 1 24 24 ALA N N 24 122.159 122.159 121.452 0.707 25125
128 1 1 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.048 0.585 25125
129 1 1 . 1 1 24 24 ALA C C 24 183.141 183.141 178.683 4.458 25125
130 1 1 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.393 0.354 25125
131 1 1 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.656 -0.954 25125
132 1 1 . 1 1 24 24 ALA H H 24 8.125 8.125 8.332 -0.207 25125
133 1 1 . 1 1 25 25 GLY N N 25 106.891 106.891 105.356 1.535 25125
134 1 1 . 1 1 25 25 GLY C C 25 174.286 174.286 174.166 0.120 25125
135 1 1 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.033 1.388 25125
136 1 1 . 1 1 25 25 GLY H H 25 7.870 7.870 7.815 0.055 25125
137 1 1 . 1 1 26 26 ALA N N 26 121.819 121.819 123.610 -1.791 25125
138 1 1 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.601 -0.102 25125
139 1 1 . 1 1 26 26 ALA C C 26 176.953 176.953 177.288 -0.335 25125
140 1 1 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.297 0.222 25125
141 1 1 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.130 -1.408 25125
142 1 1 . 1 1 26 26 ALA H H 26 7.285 7.285 7.372 -0.087 25125
143 1 1 . 1 1 27 27 GLY N N 27 106.197 106.197 106.685 -0.488 25125
144 1 1 . 1 1 27 27 GLY C C 27 173.956 173.956 173.054 0.902 25125
145 1 1 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.961 0.356 25125
146 1 1 . 1 1 27 27 GLY H H 27 7.824 7.824 8.409 -0.585 25125
147 1 1 . 1 1 28 28 LEU N N 28 120.291 120.291 118.555 1.736 25125
148 1 1 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.767 -0.192 25125
149 1 1 . 1 1 28 28 LEU C C 28 175.881 175.881 176.043 -0.162 25125
150 1 1 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.541 0.102 25125
151 1 1 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.552 -2.067 25125
152 1 1 . 1 1 28 28 LEU H H 28 7.678 7.678 7.146 0.532 25125
153 1 1 . 1 1 29 29 THR N N 29 118.040 118.040 115.962 2.078 25125
154 1 1 . 1 1 29 29 THR HA H 29 4.335 4.335 4.305 0.030 25125
155 1 1 . 1 1 29 29 THR C C 29 173.186 173.186 174.528 -1.342 25125
156 1 1 . 1 1 29 29 THR CA C 29 62.479 62.479 64.213 -1.734 25125
157 1 1 . 1 1 29 29 THR CB C 29 69.465 69.465 69.625 -0.160 25125
158 1 1 . 1 1 29 29 THR H H 29 8.527 8.527 8.461 0.066 25125
159 1 1 . 1 1 30 30 CYS N N 30 128.387 128.387 122.623 5.764 25125
160 1 1 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.534 0.409 25125
161 1 1 . 1 1 30 30 CYS C C 30 173.846 173.846 174.154 -0.308 25125
162 1 1 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.120 0.242 25125
163 1 1 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.698 -1.218 25125
164 1 1 . 1 1 30 30 CYS H H 30 8.968 8.968 8.414 0.554 25125
165 1 1 . 1 1 31 31 THR N N 31 126.481 126.481 123.967 2.514 25125
166 1 1 . 1 1 31 31 THR HA H 31 4.433 4.433 4.366 0.067 25125
167 1 1 . 1 1 31 31 THR C C 31 172.609 172.609 173.271 -0.662 25125
168 1 1 . 1 1 31 31 THR CA C 31 61.951 61.951 61.485 0.466 25125
169 1 1 . 1 1 31 31 THR CB C 31 70.567 70.567 70.061 0.506 25125
170 1 1 . 1 1 31 31 THR H H 31 8.614 8.614 8.509 0.105 25125
171 1 1 . 1 1 32 32 THR N N 32 116.418 116.418 118.248 -1.830 25125
172 1 1 . 1 1 32 32 THR HA H 32 5.330 5.330 4.721 0.609 25125
173 1 1 . 1 1 32 32 THR C C 32 172.306 172.306 172.873 -0.567 25125
174 1 1 . 1 1 32 32 THR CA C 32 59.173 59.173 60.361 -1.188 25125
175 1 1 . 1 1 32 32 THR CB C 32 70.917 70.917 69.442 1.475 25125
176 1 1 . 1 1 32 32 THR H H 32 8.299 8.299 8.244 0.055 25125
177 1 1 . 1 1 33 33 PHE N N 33 118.067 118.067 124.950 -6.883 25125
178 1 1 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.836 -0.193 25125
179 1 1 . 1 1 33 33 PHE C C 33 174.341 174.341 175.058 -0.717 25125
180 1 1 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.133 0.399 25125
181 1 1 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.315 0.994 25125
182 1 1 . 1 1 33 33 PHE H H 33 8.890 8.890 8.439 0.451 25125
183 1 1 . 1 1 34 34 GLU N N 34 118.499 118.499 116.335 2.164 25125
184 1 1 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.801 -0.447 25125
185 1 1 . 1 1 34 34 GLU C C 34 175.414 175.414 175.163 0.251 25125
186 1 1 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.660 1.032 25125
187 1 1 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.344 0.123 25125
188 1 1 . 1 1 34 34 GLU H H 34 9.023 9.023 9.017 0.006 25125
189 1 1 . 1 1 35 35 ASN N N 35 109.907 109.907 117.694 -7.787 25125
190 1 1 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.846 -0.065 25125
191 1 1 . 1 1 35 35 ASN C C 35 175.139 175.139 176.235 -1.096 25125
192 1 1 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.928 -0.782 25125
193 1 1 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.603 1.720 25125
194 1 1 . 1 1 35 35 ASN H H 35 7.401 7.401 7.695 -0.294 25125
195 1 1 . 1 1 36 36 GLY N N 36 106.739 106.739 114.712 -7.973 25125
196 1 1 . 1 1 36 36 GLY C C 36 174.616 174.616 175.355 -0.739 25125
197 1 1 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.375 -0.359 25125
198 1 1 . 1 1 36 36 GLY H H 36 8.877 8.877 8.851 0.026 25125
199 1 1 . 1 1 37 37 ASN N N 37 120.462 120.462 118.881 1.581 25125
200 1 1 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.446 -0.084 25125
201 1 1 . 1 1 37 37 ASN C C 37 178.686 178.686 177.355 1.331 25125
202 1 1 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.670 0.862 25125
203 1 1 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.637 -1.053 25125
204 1 1 . 1 1 37 37 ASN H H 37 8.366 8.366 8.462 -0.096 25125
205 1 1 . 1 1 38 38 GLU N N 38 119.360 119.360 118.187 1.173 25125
206 1 1 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.212 -0.142 25125
207 1 1 . 1 1 38 38 GLU C C 38 179.263 179.263 177.678 1.585 25125
208 1 1 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.663 0.969 25125
209 1 1 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.032 0.500 25125
210 1 1 . 1 1 38 38 GLU H H 38 7.990 7.990 8.034 -0.044 25125
211 1 1 . 1 1 39 39 VAL N N 39 119.259 119.259 119.258 0.001 25125
212 1 1 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.159 -0.391 25125
213 1 1 . 1 1 39 39 VAL C C 39 176.431 176.431 177.466 -1.035 25125
214 1 1 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.916 0.027 25125
215 1 1 . 1 1 39 39 VAL CB C 39 31.075 31.075 32.010 -0.935 25125
216 1 1 . 1 1 39 39 VAL H H 39 6.883 6.883 7.446 -0.563 25125
217 1 1 . 1 1 40 40 LEU N N 40 119.627 119.627 121.050 -1.423 25125
218 1 1 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.004 -0.077 25125
219 1 1 . 1 1 40 40 LEU C C 40 179.538 179.538 177.881 1.657 25125
220 1 1 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.090 -0.150 25125
221 1 1 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.422 -0.354 25125
222 1 1 . 1 1 40 40 LEU H H 40 7.692 7.692 8.125 -0.433 25125
223 1 1 . 1 1 41 41 ALA N N 41 120.051 120.051 119.738 0.313 25125
224 1 1 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.137 0.003 25125
225 1 1 . 1 1 41 41 ALA C C 41 180.528 180.528 179.595 0.933 25125
226 1 1 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.356 0.294 25125
227 1 1 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.980 -0.114 25125
228 1 1 . 1 1 41 41 ALA H H 41 7.553 7.553 7.910 -0.357 25125
229 1 1 . 1 1 42 42 ALA N N 42 122.731 122.731 122.510 0.221 25125
230 1 1 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.069 0.130 25125
231 1 1 . 1 1 42 42 ALA C C 42 180.198 180.198 180.140 0.058 25125
232 1 1 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.676 0.356 25125
233 1 1 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.922 1.477 25125
234 1 1 . 1 1 42 42 ALA H H 42 7.604 7.604 7.623 -0.019 25125
235 1 1 . 1 1 43 43 LEU N N 43 119.131 119.131 118.747 0.384 25125
236 1 1 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.969 1.237 25125
237 1 1 . 1 1 43 43 LEU C C 43 177.421 177.421 179.182 -1.761 25125
238 1 1 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.461 -1.916 25125
239 1 1 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.114 1.490 25125
240 1 1 . 1 1 43 43 LEU H H 43 8.288 8.288 7.996 0.292 25125
241 1 1 . 1 1 44 44 ALA N N 44 119.065 119.065 118.324 0.741 25125
242 1 1 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.140 0.089 25125
243 1 1 . 1 1 44 44 ALA C C 44 178.686 178.686 178.357 0.329 25125
244 1 1 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.032 0.206 25125
245 1 1 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.226 0.290 25125
246 1 1 . 1 1 44 44 ALA H H 44 7.302 7.302 7.701 -0.399 25125
247 1 1 . 1 1 45 45 SER N N 45 108.656 108.656 114.234 -5.578 25125
248 1 1 . 1 1 45 45 SER HA H 45 4.742 4.742 4.385 0.357 25125
249 1 1 . 1 1 45 45 SER C C 45 173.296 173.296 175.962 -2.666 25125
250 1 1 . 1 1 45 45 SER CA C 45 58.656 58.656 60.953 -2.297 25125
251 1 1 . 1 1 45 45 SER CB C 45 65.407 65.407 63.786 1.621 25125
252 1 1 . 1 1 45 45 SER H H 45 7.728 7.728 8.085 -0.357 25125
253 1 1 . 1 1 46 46 LYS N N 46 123.016 123.016 116.759 6.257 25125
254 1 1 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.627 -0.041 25125
255 1 1 . 1 1 46 46 LYS C C 46 172.719 172.719 175.753 -3.034 25125
256 1 1 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.325 -0.813 25125
257 1 1 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.529 1.696 25125
258 1 1 . 1 1 46 46 LYS H H 46 8.101 8.101 8.044 0.057 25125
259 1 1 . 1 1 47 47 THR N N 47 111.780 111.780 114.897 -3.117 25125
260 1 1 . 1 1 47 47 THR HA H 47 4.282 4.282 3.907 0.375 25125
261 1 1 . 1 1 47 47 THR CA C 47 57.806 57.806 62.254 -4.448 25125
262 1 1 . 1 1 47 47 THR CB C 47 70.594 70.594 67.879 2.715 25125
263 1 1 . 1 1 47 47 THR H H 47 7.677 7.677 7.918 -0.241 25125
264 1 1 . 1 1 48 48 PRO HA H 48 3.905 3.905 4.007 -0.102 25125
265 1 1 . 1 1 48 48 PRO C C 48 172.966 172.966 175.336 -2.370 25125
266 1 1 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.330 -1.465 25125
267 1 1 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.556 -1.280 25125
268 1 1 . 1 1 49 49 ASP N N 49 115.035 115.035 118.832 -3.797 25125
269 1 1 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.682 -0.238 25125
270 1 1 . 1 1 49 49 ASP C C 49 175.634 175.634 175.139 0.495 25125
271 1 1 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.338 1.109 25125
272 1 1 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.004 0.508 25125
273 1 1 . 1 1 49 49 ASP H H 49 8.502 8.502 8.192 0.310 25125
274 1 1 . 1 1 50 50 VAL N N 50 112.082 112.082 115.328 -3.246 25125
275 1 1 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.497 -0.217 25125
276 1 1 . 1 1 50 50 VAL C C 50 171.454 171.454 172.912 -1.458 25125
277 1 1 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.309 -0.746 25125
278 1 1 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.307 0.329 25125
279 1 1 . 1 1 50 50 VAL H H 50 7.173 7.173 7.140 0.033 25125
280 1 1 . 1 1 51 51 LEU N N 51 128.247 128.247 125.656 2.591 25125
281 1 1 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.260 0.059 25125
282 1 1 . 1 1 51 51 LEU C C 51 173.104 173.104 174.769 -1.665 25125
283 1 1 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.239 -0.021 25125
284 1 1 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.701 -0.195 25125
285 1 1 . 1 1 51 51 LEU H H 51 8.059 8.059 8.157 -0.098 25125
286 1 1 . 1 1 52 52 LEU N N 52 128.407 128.407 120.826 7.581 25125
287 1 1 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.386 0.115 25125
288 1 1 . 1 1 52 52 LEU C C 52 175.414 175.414 176.189 -0.775 25125
289 1 1 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.022 0.301 25125
290 1 1 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.684 1.837 25125
291 1 1 . 1 1 52 52 LEU H H 52 9.242 9.242 8.286 0.956 25125
292 1 1 . 1 1 53 53 SER N N 53 114.946 114.946 117.433 -2.487 25125
293 1 1 . 1 1 53 53 SER HA H 53 5.595 5.595 4.670 0.925 25125
294 1 1 . 1 1 53 53 SER C C 53 174.644 174.644 174.370 0.274 25125
295 1 1 . 1 1 53 53 SER CA C 53 55.954 55.954 56.769 -0.815 25125
296 1 1 . 1 1 53 53 SER CB C 53 66.473 66.473 64.759 1.714 25125
297 1 1 . 1 1 53 53 SER H H 53 8.695 8.695 8.049 0.646 25125
298 1 1 . 1 1 54 54 ASP N N 54 128.341 128.341 125.798 2.543 25125
299 1 1 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.699 0.626 25125
300 1 1 . 1 1 54 54 ASP C C 54 176.816 176.816 176.062 0.754 25125
301 1 1 . 1 1 54 54 ASP CA C 54 54.493 54.493 54.378 0.115 25125
302 1 1 . 1 1 54 54 ASP CB C 54 42.328 42.328 41.642 0.686 25125
303 1 1 . 1 1 54 54 ASP H H 54 7.886 7.886 8.861 -0.975 25125
304 1 1 . 1 1 55 55 ILE N N 55 121.229 121.229 117.894 3.335 25125
305 1 1 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.767 0.418 25125
306 1 1 . 1 1 55 55 ILE C C 55 175.084 175.084 174.109 0.975 25125
307 1 1 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.102 -0.560 25125
308 1 1 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.506 3.523 25125
309 1 1 . 1 1 55 55 ILE H H 55 8.722 8.722 7.883 0.839 25125
310 1 1 . 1 1 56 56 ARG N N 56 124.188 124.188 121.766 2.422 25125
311 1 1 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.612 -0.107 25125
312 1 1 . 1 1 56 56 ARG C C 56 175.661 175.661 174.961 0.700 25125
313 1 1 . 1 1 56 56 ARG CA C 56 55.441 55.441 54.725 0.716 25125
314 1 1 . 1 1 56 56 ARG CB C 56 30.362 30.362 30.593 -0.232 25125
315 1 1 . 1 1 56 56 ARG H H 56 8.499 8.499 8.716 -0.217 25125
316 1 1 . 1 1 57 57 MET N N 57 122.581 122.581 120.457 2.124 25125
317 1 1 . 1 1 57 57 MET HA H 57 4.821 4.821 5.009 -0.188 25125
318 1 1 . 1 1 57 57 MET CA C 57 53.132 53.132 52.297 0.835 25125
319 1 1 . 1 1 57 57 MET CB C 57 33.445 33.445 32.819 0.625 25125
320 1 1 . 1 1 57 57 MET H H 57 7.956 7.956 7.766 0.190 25125
321 1 1 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.427 -0.034 25125
322 1 1 . 1 1 58 58 PRO C C 58 177.806 177.806 177.673 0.133 25125
323 1 1 . 1 1 58 58 PRO CA C 58 63.499 63.499 65.201 -1.702 25125
324 1 1 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.802 0.005 25125
325 1 1 . 1 1 59 59 GLY N N 59 111.082 111.082 108.345 2.737 25125
326 1 1 . 1 1 59 59 GLY C C 59 173.626 173.626 174.367 -0.741 25125
327 1 1 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.469 0.121 25125
328 1 1 . 1 1 59 59 GLY H H 59 8.653 8.653 8.121 0.532 25125
329 1 1 . 1 1 60 60 MET N N 60 120.052 120.052 119.296 0.756 25125
330 1 1 . 1 1 60 60 MET HA H 60 4.525 4.525 4.526 -0.001 25125
331 1 1 . 1 1 60 60 MET C C 60 173.956 173.956 175.536 -1.580 25125
332 1 1 . 1 1 60 60 MET CA C 60 55.047 55.047 55.625 -0.578 25125
333 1 1 . 1 1 60 60 MET CB C 60 34.506 34.506 33.997 0.509 25125
334 1 1 . 1 1 60 60 MET H H 60 7.968 7.968 7.747 0.221 25125
335 1 1 . 1 1 61 61 ASP N N 61 121.306 121.306 120.197 1.109 25125
336 1 1 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.684 0.020 25125
337 1 1 . 1 1 61 61 ASP C C 61 176.761 176.761 177.333 -0.572 25125
338 1 1 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.413 -0.684 25125
339 1 1 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.127 -0.058 25125
340 1 1 . 1 1 61 61 ASP H H 61 8.379 8.379 8.560 -0.181 25125
341 1 1 . 1 1 62 62 GLY N N 62 110.874 110.874 108.632 2.242 25125
342 1 1 . 1 1 62 62 GLY C C 62 175.194 175.194 175.751 -0.557 25125
343 1 1 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.732 0.369 25125
344 1 1 . 1 1 62 62 GLY H H 62 8.707 8.707 8.297 0.410 25125
345 1 1 . 1 1 63 63 LEU N N 63 121.299 121.299 120.374 0.925 25125
346 1 1 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.404 -0.227 25125
347 1 1 . 1 1 63 63 LEU C C 63 178.356 178.356 178.250 0.106 25125
348 1 1 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.412 1.466 25125
349 1 1 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.498 0.740 25125
350 1 1 . 1 1 63 63 LEU H H 63 8.045 8.045 7.697 0.348 25125
351 1 1 . 1 1 64 64 ALA N N 64 122.741 122.741 123.895 -1.154 25125
352 1 1 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.015 0.047 25125
353 1 1 . 1 1 64 64 ALA C C 64 180.556 180.556 179.408 1.148 25125
354 1 1 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.068 -0.453 25125
355 1 1 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.865 0.135 25125
356 1 1 . 1 1 64 64 ALA H H 64 7.859 7.859 8.238 -0.379 25125
357 1 1 . 1 1 65 65 LEU N N 65 120.287 120.287 114.379 5.908 25125
358 1 1 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.316 -0.254 25125
359 1 1 . 1 1 65 65 LEU C C 65 178.191 178.191 178.284 -0.093 25125
360 1 1 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.585 1.434 25125
361 1 1 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.865 -0.627 25125
362 1 1 . 1 1 65 65 LEU H H 65 8.022 8.022 7.829 0.193 25125
363 1 1 . 1 1 66 66 LEU N N 66 118.738 118.738 119.902 -1.164 25125
364 1 1 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.184 -0.326 25125
365 1 1 . 1 1 66 66 LEU C C 66 178.631 178.631 178.778 -0.147 25125
366 1 1 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.506 1.840 25125
367 1 1 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.928 0.310 25125
368 1 1 . 1 1 66 66 LEU H H 66 8.101 8.101 7.734 0.367 25125
369 1 1 . 1 1 67 67 LYS N N 67 117.842 117.842 117.568 0.274 25125
370 1 1 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.124 -0.142 25125
371 1 1 . 1 1 67 67 LYS C C 67 179.263 179.263 178.557 0.706 25125
372 1 1 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.584 1.213 25125
373 1 1 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.979 0.228 25125
374 1 1 . 1 1 67 67 LYS H H 67 8.010 8.010 8.177 -0.167 25125
375 1 1 . 1 1 68 68 GLN N N 68 118.875 118.875 117.790 1.085 25125
376 1 1 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.289 -0.233 25125
377 1 1 . 1 1 68 68 GLN C C 68 179.071 179.071 177.614 1.457 25125
378 1 1 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.214 0.859 25125
379 1 1 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.962 -0.351 25125
380 1 1 . 1 1 68 68 GLN H H 68 7.809 7.809 7.582 0.227 25125
381 1 1 . 1 1 69 69 ILE N N 69 120.377 120.377 121.576 -1.199 25125
382 1 1 . 1 1 69 69 ILE HA H 69 3.530 3.530 4.005 -0.475 25125
383 1 1 . 1 1 69 69 ILE C C 69 177.421 177.421 178.265 -0.844 25125
384 1 1 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.798 1.080 25125
385 1 1 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.606 -0.022 25125
386 1 1 . 1 1 69 69 ILE H H 69 8.481 8.481 7.553 0.928 25125
387 1 1 . 1 1 70 70 LYS N N 70 117.873 117.873 118.406 -0.533 25125
388 1 1 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.181 -0.221 25125
389 1 1 . 1 1 70 70 LYS C C 70 178.053 178.053 177.924 0.129 25125
390 1 1 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.899 -1.811 25125
391 1 1 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.117 -0.905 25125
392 1 1 . 1 1 70 70 LYS H H 70 8.220 8.220 7.920 0.300 25125
393 1 1 . 1 1 71 71 GLN N N 71 116.315 116.315 117.240 -0.925 25125
394 1 1 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.219 -0.227 25125
395 1 1 . 1 1 71 71 GLN C C 71 177.366 177.366 177.801 -0.435 25125
396 1 1 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.077 0.113 25125
397 1 1 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.170 -0.505 25125
398 1 1 . 1 1 71 71 GLN H H 71 7.601 7.601 7.424 0.177 25125
399 1 1 . 1 1 72 72 ARG N N 72 116.530 116.530 117.811 -1.281 25125
400 1 1 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.118 -0.088 25125
401 1 1 . 1 1 72 72 ARG C C 72 175.826 175.826 176.621 -0.795 25125
402 1 1 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.581 -0.359 25125
403 1 1 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.655 0.147 25125
404 1 1 . 1 1 72 72 ARG H H 72 7.301 7.301 8.104 -0.803 25125
405 1 1 . 1 1 73 73 HIS N N 73 116.755 116.755 116.501 0.254 25125
406 1 1 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.016 -0.056 25125
407 1 1 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.394 -0.176 25125
408 1 1 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.049 0.513 25125
409 1 1 . 1 1 73 73 HIS H H 73 8.331 8.331 7.866 0.465 25125
410 1 1 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.406 0.093 25125
411 1 1 . 1 1 74 74 PRO C C 74 178.466 178.466 177.331 1.135 25125
412 1 1 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.794 0.319 25125
413 1 1 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.101 -0.006 25125
414 1 1 . 1 1 75 75 MET N N 75 114.814 114.814 116.506 -1.692 25125
415 1 1 . 1 1 75 75 MET HA H 75 4.567 4.567 4.476 0.091 25125
416 1 1 . 1 1 75 75 MET C C 75 176.046 176.046 175.593 0.453 25125
417 1 1 . 1 1 75 75 MET CA C 75 54.266 54.266 55.349 -1.083 25125
418 1 1 . 1 1 75 75 MET CB C 75 31.288 31.288 32.306 -1.018 25125
419 1 1 . 1 1 75 75 MET H H 75 8.623 8.623 7.907 0.716 25125
420 1 1 . 1 1 76 76 LEU N N 76 125.533 125.533 122.400 3.133 25125
421 1 1 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.712 -0.406 25125
422 1 1 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.047 2.065 25125
423 1 1 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.655 0.030 25125
424 1 1 . 1 1 76 76 LEU H H 76 7.337 7.337 7.223 0.114 25125
425 1 1 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.500 -0.054 25125
426 1 1 . 1 1 77 77 PRO C C 77 174.974 174.974 175.338 -0.364 25125
427 1 1 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.495 0.332 25125
428 1 1 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.072 -0.350 25125
429 1 1 . 1 1 78 78 VAL N N 78 123.779 123.779 122.742 1.037 25125
430 1 1 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.484 0.540 25125
431 1 1 . 1 1 78 78 VAL C C 78 175.441 175.441 175.442 -0.001 25125
432 1 1 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.400 -0.207 25125
433 1 1 . 1 1 78 78 VAL CB C 78 34.294 34.294 34.983 -0.689 25125
434 1 1 . 1 1 78 78 VAL H H 78 8.317 8.317 8.187 0.130 25125
435 1 1 . 1 1 79 79 ILE N N 79 128.334 128.334 120.553 7.781 25125
436 1 1 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.784 -0.303 25125
437 1 1 . 1 1 79 79 ILE C C 79 174.479 174.479 174.868 -0.389 25125
438 1 1 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.112 -0.590 25125
439 1 1 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.213 -2.250 25125
440 1 1 . 1 1 79 79 ILE H H 79 9.292 9.292 8.776 0.516 25125
441 1 1 . 1 1 80 80 ILE N N 80 127.023 127.023 125.991 1.032 25125
442 1 1 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.361 0.498 25125
443 1 1 . 1 1 80 80 ILE C C 80 175.029 175.029 174.914 0.115 25125
444 1 1 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.841 -1.684 25125
445 1 1 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.670 -1.726 25125
446 1 1 . 1 1 80 80 ILE H H 80 7.938 7.938 8.844 -0.906 25125
447 1 1 . 1 1 81 81 MET N N 81 127.255 127.255 124.866 2.389 25125
448 1 1 . 1 1 81 81 MET HA H 81 5.521 5.521 5.318 0.203 25125
449 1 1 . 1 1 81 81 MET C C 81 174.534 174.534 175.227 -0.693 25125
450 1 1 . 1 1 81 81 MET CA C 81 53.513 53.513 55.208 -1.695 25125
451 1 1 . 1 1 81 81 MET CB C 81 35.483 35.483 35.891 -0.408 25125
452 1 1 . 1 1 81 81 MET H H 81 8.801 8.801 8.867 -0.066 25125
453 1 1 . 1 1 82 82 THR N N 82 112.857 112.857 116.738 -3.881 25125
454 1 1 . 1 1 82 82 THR HA H 82 4.914 4.914 4.472 0.442 25125
455 1 1 . 1 1 82 82 THR C C 82 172.581 172.581 174.216 -1.635 25125
456 1 1 . 1 1 82 82 THR CA C 82 59.561 59.561 63.466 -3.905 25125
457 1 1 . 1 1 82 82 THR CB C 82 69.989 69.989 69.649 0.340 25125
458 1 1 . 1 1 82 82 THR H H 82 7.623 7.623 8.425 -0.802 25125
459 1 1 . 1 1 83 83 ALA N N 83 129.541 129.541 123.406 6.135 25125
460 1 1 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.941 0.767 25125
461 1 1 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.180 -1.642 25125
462 1 1 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.953 2.194 25125
463 1 1 . 1 1 83 83 ALA H H 83 9.149 9.149 8.249 0.900 25125
464 1 1 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.480 -0.208 25125
465 1 1 . 1 1 84 84 HIS CA C 84 59.700 59.700 54.936 4.764 25125
466 1 1 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.480 0.538 25125
467 1 1 . 1 1 85 85 SER N N 85 112.633 112.633 115.928 -3.295 25125
468 1 1 . 1 1 85 85 SER HA H 85 4.198 4.198 4.046 0.152 25125
469 1 1 . 1 1 85 85 SER C C 85 174.506 174.506 173.311 1.195 25125
470 1 1 . 1 1 85 85 SER CA C 85 59.823 59.823 60.544 -0.721 25125
471 1 1 . 1 1 85 85 SER CB C 85 62.693 62.693 62.535 0.158 25125
472 1 1 . 1 1 85 85 SER H H 85 8.224 8.224 8.593 -0.369 25125
473 1 1 . 1 1 86 86 ASP N N 86 120.886 120.886 124.187 -3.301 25125
474 1 1 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.385 0.551 25125
475 1 1 . 1 1 86 86 ASP C C 86 175.881 175.881 176.924 -1.043 25125
476 1 1 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.173 -1.239 25125
477 1 1 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.459 1.544 25125
478 1 1 . 1 1 86 86 ASP H H 86 7.608 7.608 7.774 -0.166 25125
479 1 1 . 1 1 87 87 LEU N N 87 121.913 121.913 121.760 0.153 25125
480 1 1 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.655 0.264 25125
481 1 1 . 1 1 87 87 LEU C C 87 177.586 177.586 177.990 -0.404 25125
482 1 1 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.852 -1.015 25125
483 1 1 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.485 0.830 25125
484 1 1 . 1 1 87 87 LEU H H 87 7.498 7.498 7.531 -0.033 25125
485 1 1 . 1 1 88 88 ASP N N 88 117.621 117.621 117.224 0.397 25125
486 1 1 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.225 0.047 25125
487 1 1 . 1 1 88 88 ASP C C 88 178.246 178.246 177.681 0.565 25125
488 1 1 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.368 -0.558 25125
489 1 1 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.407 -0.273 25125
490 1 1 . 1 1 88 88 ASP H H 88 8.322 8.322 8.734 -0.412 25125
491 1 1 . 1 1 89 89 ALA N N 89 122.874 122.874 121.173 1.701 25125
492 1 1 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.322 -0.228 25125
493 1 1 . 1 1 89 89 ALA C C 89 179.346 179.346 179.305 0.041 25125
494 1 1 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.427 -0.274 25125
495 1 1 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.711 -0.450 25125
496 1 1 . 1 1 89 89 ALA H H 89 7.838 7.838 7.357 0.481 25125
497 1 1 . 1 1 90 90 ALA N N 90 121.673 121.673 121.999 -0.326 25125
498 1 1 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.039 -0.106 25125
499 1 1 . 1 1 90 90 ALA C C 90 178.686 178.686 179.822 -1.136 25125
500 1 1 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.954 -0.291 25125
501 1 1 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.030 0.352 25125
502 1 1 . 1 1 90 90 ALA H H 90 7.896 7.896 8.090 -0.194 25125
503 1 1 . 1 1 91 91 VAL N N 91 117.749 117.749 117.252 0.497 25125
504 1 1 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.914 -0.302 25125
505 1 1 . 1 1 91 91 VAL C C 91 178.411 178.411 177.303 1.108 25125
506 1 1 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.616 -1.435 25125
507 1 1 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.960 -0.323 25125
508 1 1 . 1 1 91 91 VAL H H 91 8.098 8.098 8.527 -0.429 25125
509 1 1 . 1 1 92 92 SER N N 92 114.942 114.942 113.758 1.184 25125
510 1 1 . 1 1 92 92 SER HA H 92 4.231 4.231 4.465 -0.234 25125
511 1 1 . 1 1 92 92 SER C C 92 175.826 175.826 175.602 0.224 25125
512 1 1 . 1 1 92 92 SER CA C 92 60.649 60.649 60.043 0.606 25125
513 1 1 . 1 1 92 92 SER CB C 92 63.063 63.063 64.320 -1.256 25125
514 1 1 . 1 1 92 92 SER H H 92 7.825 7.825 7.767 0.058 25125
515 1 1 . 1 1 93 93 ALA N N 93 122.580 122.580 123.269 -0.689 25125
516 1 1 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.243 -0.186 25125
517 1 1 . 1 1 93 93 ALA C C 93 178.906 178.906 179.446 -0.540 25125
518 1 1 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.567 -0.250 25125
519 1 1 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.693 -0.396 25125
520 1 1 . 1 1 93 93 ALA H H 93 7.861 7.861 8.437 -0.576 25125
521 1 1 . 1 1 94 94 TYR N N 94 118.447 118.447 120.736 -2.289 25125
522 1 1 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.270 0.222 25125
523 1 1 . 1 1 94 94 TYR C C 94 177.393 177.393 177.524 -0.131 25125
524 1 1 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.085 -0.834 25125
525 1 1 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.392 0.042 25125
526 1 1 . 1 1 94 94 TYR H H 94 8.150 8.150 7.886 0.264 25125
527 1 1 . 1 1 95 95 GLN N N 95 119.787 119.787 115.835 3.952 25125
528 1 1 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.065 -0.022 25125
529 1 1 . 1 1 95 95 GLN C C 95 176.981 176.981 176.560 0.421 25125
530 1 1 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.975 0.491 25125
531 1 1 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.785 0.305 25125
532 1 1 . 1 1 95 95 GLN H H 95 8.271 8.271 7.938 0.333 25125
533 1 1 . 1 1 96 96 GLN N N 96 117.878 117.878 118.317 -0.439 25125
534 1 1 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.253 0.092 25125
535 1 1 . 1 1 96 96 GLN C C 96 175.854 175.854 176.141 -0.287 25125
536 1 1 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.564 0.607 25125
537 1 1 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.962 0.513 25125
538 1 1 . 1 1 96 96 GLN H H 96 7.944 7.944 7.683 0.261 25125
539 1 1 . 1 1 97 97 GLY N N 97 106.670 106.670 105.630 1.040 25125
540 1 1 . 1 1 97 97 GLY C C 97 174.231 174.231 173.298 0.933 25125
541 1 1 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.873 0.613 25125
542 1 1 . 1 1 97 97 GLY H H 97 7.949 7.949 7.278 0.671 25125
543 1 1 . 1 1 98 98 ALA N N 98 122.898 122.898 120.644 2.254 25125
544 1 1 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.422 -0.047 25125
545 1 1 . 1 1 98 98 ALA C C 98 175.991 175.991 175.614 0.377 25125
546 1 1 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.078 2.090 25125
547 1 1 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.435 -1.466 25125
548 1 1 . 1 1 98 98 ALA H H 98 7.808 7.808 7.146 0.662 25125
549 1 1 . 1 1 99 99 PHE N N 99 123.484 123.484 119.683 3.801 25125
550 1 1 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.471 -0.121 25125
551 1 1 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.503 1.953 25125
552 1 1 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.141 -0.701 25125
553 1 1 . 1 1 99 99 PHE H H 99 7.704 7.704 8.353 -0.649 25125
554 1 1 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.878 0.626 25125
555 1 1 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.918 -1.436 25125
556 1 1 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.365 3.835 25125
557 1 1 . 1 1 101 101 TYR N N 101 118.148 118.148 121.863 -3.715 25125
558 1 1 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.457 0.991 25125
559 1 1 . 1 1 101 101 TYR C C 101 173.159 173.159 174.154 -0.995 25125
560 1 1 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.236 -0.249 25125
561 1 1 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.414 2.484 25125
562 1 1 . 1 1 101 101 TYR H H 101 9.546 9.546 7.430 2.116 25125
563 1 1 . 1 1 102 102 LEU N N 102 124.100 124.100 121.061 3.039 25125
564 1 1 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.049 -0.329 25125
565 1 1 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.252 -0.753 25125
566 1 1 . 1 1 102 102 LEU CB C 102 45.061 45.061 44.947 0.114 25125
567 1 1 . 1 1 102 102 LEU H H 102 8.901 8.901 8.839 0.062 25125
568 1 1 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.549 0.344 25125
569 1 1 . 1 1 103 103 PRO C C 103 175.524 175.524 175.475 0.049 25125
570 1 1 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.600 -0.715 25125
571 1 1 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.373 -0.566 25125
572 1 1 . 1 1 104 104 LYS N N 104 118.848 118.848 120.294 -1.446 25125
573 1 1 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.992 -0.479 25125
574 1 1 . 1 1 104 104 LYS CA C 104 53.218 53.218 52.757 0.461 25125
575 1 1 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.618 2.126 25125
576 1 1 . 1 1 104 104 LYS H H 104 8.279 8.279 8.149 0.130 25125
577 1 1 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.275 0.024 25125
578 1 1 . 1 1 105 105 PRO C C 105 175.001 175.001 175.852 -0.851 25125
579 1 1 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.697 -0.303 25125
580 1 1 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.097 1.998 25125
581 1 1 . 1 1 106 106 PHE N N 106 116.607 116.607 115.498 1.109 25125
582 1 1 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.657 0.513 25125
583 1 1 . 1 1 106 106 PHE C C 106 175.221 175.221 174.151 1.070 25125
584 1 1 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.301 -2.866 25125
585 1 1 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.071 0.329 25125
586 1 1 . 1 1 106 106 PHE H H 106 7.457 7.457 7.695 -0.238 25125
587 1 1 . 1 1 107 107 ASP N N 107 122.214 122.214 122.158 0.056 25125
588 1 1 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.022 -0.190 25125
589 1 1 . 1 1 107 107 ASP C C 107 177.778 177.778 176.969 0.809 25125
590 1 1 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.689 -0.447 25125
591 1 1 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.441 1.156 25125
592 1 1 . 1 1 107 107 ASP H H 107 9.022 9.022 8.567 0.455 25125
593 1 1 . 1 1 108 108 ILE N N 108 127.706 127.706 124.807 2.899 25125
594 1 1 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.765 0.200 25125
595 1 1 . 1 1 108 108 ILE C C 108 176.046 176.046 177.342 -1.296 25125
596 1 1 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.739 -1.750 25125
597 1 1 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.128 -0.374 25125
598 1 1 . 1 1 108 108 ILE H H 108 8.860 8.860 8.786 0.074 25125
599 1 1 . 1 1 109 109 ASP N N 109 120.058 120.058 119.430 0.628 25125
600 1 1 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.338 0.050 25125
601 1 1 . 1 1 109 109 ASP C C 109 179.786 179.786 178.567 1.219 25125
602 1 1 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.623 -0.130 25125
603 1 1 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.543 -0.489 25125
604 1 1 . 1 1 109 109 ASP H H 109 8.079 8.079 8.507 -0.428 25125
605 1 1 . 1 1 110 110 GLU N N 110 121.559 121.559 119.260 2.299 25125
606 1 1 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.200 -0.132 25125
607 1 1 . 1 1 110 110 GLU C C 110 179.043 179.043 178.300 0.743 25125
608 1 1 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.283 0.543 25125
609 1 1 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.547 -0.204 25125
610 1 1 . 1 1 110 110 GLU H H 110 8.012 8.012 8.082 -0.070 25125
611 1 1 . 1 1 111 111 ALA N N 111 122.267 122.267 123.320 -1.053 25125
612 1 1 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.978 -0.224 25125
613 1 1 . 1 1 111 111 ALA C C 111 178.493 178.493 179.561 -1.068 25125
614 1 1 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.186 -0.014 25125
615 1 1 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.230 0.152 25125
616 1 1 . 1 1 111 111 ALA H H 111 7.897 7.897 7.845 0.052 25125
617 1 1 . 1 1 112 112 VAL N N 112 116.527 116.527 117.445 -0.918 25125
618 1 1 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.616 -0.449 25125
619 1 1 . 1 1 112 112 VAL C C 112 177.201 177.201 177.872 -0.671 25125
620 1 1 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.571 0.574 25125
621 1 1 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.075 0.477 25125
622 1 1 . 1 1 112 112 VAL H H 112 8.018 8.018 8.408 -0.390 25125
623 1 1 . 1 1 113 113 ALA N N 113 119.895 119.895 120.857 -0.962 25125
624 1 1 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.191 -0.053 25125
625 1 1 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.228 0.604 25125
626 1 1 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.610 -0.738 25125
627 1 1 . 1 1 113 113 ALA H H 113 7.673 7.673 7.461 0.212 25125
628 1 1 . 1 1 114 114 LEU N N 114 120.650 120.650 120.613 0.037 25125
629 1 1 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.114 -0.031 25125
630 1 1 . 1 1 114 114 LEU C C 114 178.466 178.466 178.624 -0.158 25125
631 1 1 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.691 0.329 25125
632 1 1 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.082 -0.249 25125
633 1 1 . 1 1 114 114 LEU H H 114 7.840 7.840 7.711 0.129 25125
634 1 1 . 1 1 115 115 VAL N N 115 119.480 119.480 118.308 1.172 25125
635 1 1 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.588 -0.376 25125
636 1 1 . 1 1 115 115 VAL C C 115 177.448 177.448 177.308 0.140 25125
637 1 1 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.919 1.282 25125
638 1 1 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.882 -1.210 25125
639 1 1 . 1 1 115 115 VAL H H 115 7.824 7.824 8.007 -0.183 25125
640 1 1 . 1 1 116 116 GLU N N 116 117.473 117.473 118.882 -1.409 25125
641 1 1 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.976 -0.187 25125
642 1 1 . 1 1 116 116 GLU C C 116 179.566 179.566 178.586 0.980 25125
643 1 1 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.346 0.584 25125
644 1 1 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.264 -0.168 25125
645 1 1 . 1 1 116 116 GLU H H 116 8.465 8.465 7.741 0.724 25125
646 1 1 . 1 1 117 117 ARG N N 117 120.128 120.128 119.227 0.901 25125
647 1 1 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.055 0.009 25125
648 1 1 . 1 1 117 117 ARG C C 117 178.438 178.438 177.411 1.027 25125
649 1 1 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.773 0.505 25125
650 1 1 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.932 0.345 25125
651 1 1 . 1 1 117 117 ARG H H 117 8.012 8.012 7.411 0.601 25125
652 1 1 . 1 1 118 118 ALA N N 118 122.270 122.270 120.436 1.834 25125
653 1 1 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.880 -0.424 25125
654 1 1 . 1 1 118 118 ALA C C 118 178.741 178.741 178.524 0.217 25125
655 1 1 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.926 0.652 25125
656 1 1 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.723 -0.565 25125
657 1 1 . 1 1 118 118 ALA H H 118 7.958 7.958 7.116 0.842 25125
658 1 1 . 1 1 119 119 ILE N N 119 115.269 115.269 116.400 -1.131 25125
659 1 1 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.169 -0.441 25125
660 1 1 . 1 1 119 119 ILE C C 119 177.366 177.366 177.599 -0.233 25125
661 1 1 . 1 1 119 119 ILE CA C 119 63.669 63.669 63.733 -0.064 25125
662 1 1 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.589 -0.791 25125
663 1 1 . 1 1 119 119 ILE H H 119 7.753 7.753 7.316 0.437 25125
664 1 1 . 1 1 120 120 SER N N 120 115.135 115.135 115.275 -0.140 25125
665 1 1 . 1 1 120 120 SER HA H 120 4.275 4.275 4.269 0.006 25125
666 1 1 . 1 1 120 120 SER C C 120 175.084 175.084 175.472 -0.388 25125
667 1 1 . 1 1 120 120 SER CA C 120 59.816 59.816 60.688 -0.872 25125
668 1 1 . 1 1 120 120 SER CB C 120 63.380 63.380 63.008 0.372 25125
669 1 1 . 1 1 120 120 SER H H 120 7.816 7.816 8.184 -0.368 25125
670 1 1 . 1 1 121 121 HIS N N 121 119.908 119.908 119.662 0.246 25125
671 1 1 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.146 0.276 25125
672 1 1 . 1 1 121 121 HIS C C 121 175.029 175.029 175.281 -0.252 25125
673 1 1 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.362 -1.127 25125
674 1 1 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.837 -0.409 25125
675 1 1 . 1 1 121 121 HIS H H 121 7.910 7.910 7.758 0.152 25125
676 1 1 . 1 1 122 122 TYR N N 122 118.880 118.880 115.814 3.066 25125
677 1 1 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.573 -0.147 25125
678 1 1 . 1 1 122 122 TYR C C 122 175.276 175.276 176.984 -1.708 25125
679 1 1 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.804 -0.355 25125
680 1 1 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.797 -0.193 25125
681 1 1 . 1 1 122 122 TYR H H 122 7.766 7.766 7.490 0.276 25125
682 1 1 . 1 1 123 123 GLN N N 123 121.479 121.479 118.983 2.496 25125
683 1 1 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.222 0.048 25125
684 1 1 . 1 1 123 123 GLN C C 123 174.534 174.534 176.077 -1.543 25125
685 1 1 . 1 1 123 123 GLN CA C 123 55.512 55.512 56.803 -1.291 25125
686 1 1 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.803 -0.035 25125
687 1 1 . 1 1 123 123 GLN H H 123 7.878 7.878 7.826 0.052 25125
688 1 2 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.627 -0.194 25125
689 1 2 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.313 0.251 25125
690 1 2 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.678 1.922 25125
691 1 2 . 1 1 3 3 ARG N N 3 121.252 121.252 119.450 1.802 25125
692 1 2 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.255 0.110 25125
693 1 2 . 1 1 3 3 ARG C C 3 175.634 175.634 175.980 -0.346 25125
694 1 2 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.360 -0.369 25125
695 1 2 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.450 0.847 25125
696 1 2 . 1 1 3 3 ARG H H 3 8.429 8.429 7.508 0.921 25125
697 1 2 . 1 1 4 4 GLY N N 4 107.663 107.663 108.760 -1.097 25125
698 1 2 . 1 1 4 4 GLY C C 4 171.041 171.041 173.280 -2.239 25125
699 1 2 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.539 0.777 25125
700 1 2 . 1 1 4 4 GLY H H 4 7.963 7.963 7.628 0.335 25125
701 1 2 . 1 1 5 5 ILE N N 5 122.603 122.603 126.309 -3.706 25125
702 1 2 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.052 0.647 25125
703 1 2 . 1 1 5 5 ILE C C 5 175.359 175.359 174.808 0.551 25125
704 1 2 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.623 -1.013 25125
705 1 2 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.294 0.282 25125
706 1 2 . 1 1 5 5 ILE H H 5 9.610 9.610 8.021 1.589 25125
707 1 2 . 1 1 6 6 VAL N N 6 127.905 127.905 126.216 1.689 25125
708 1 2 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.948 -0.136 25125
709 1 2 . 1 1 6 6 VAL C C 6 174.204 174.204 175.500 -1.296 25125
710 1 2 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.791 -1.232 25125
711 1 2 . 1 1 6 6 VAL CB C 6 34.526 34.526 32.763 1.763 25125
712 1 2 . 1 1 6 6 VAL H H 6 9.090 9.090 7.979 1.111 25125
713 1 2 . 1 1 7 7 TRP N N 7 127.467 127.467 128.735 -1.268 25125
714 1 2 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.276 1.178 25125
715 1 2 . 1 1 7 7 TRP C C 7 175.056 175.056 175.399 -0.343 25125
716 1 2 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.345 -1.467 25125
717 1 2 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.161 0.973 25125
718 1 2 . 1 1 7 7 TRP H H 7 8.497 8.497 8.463 0.034 25125
719 1 2 . 1 1 8 8 VAL N N 8 122.068 122.068 118.431 3.637 25125
720 1 2 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.453 0.633 25125
721 1 2 . 1 1 8 8 VAL C C 8 173.874 173.874 173.804 0.070 25125
722 1 2 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.229 -0.743 25125
723 1 2 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.989 -0.274 25125
724 1 2 . 1 1 8 8 VAL H H 8 8.583 8.583 9.373 -0.790 25125
725 1 2 . 1 1 9 9 VAL N N 9 127.733 127.733 125.153 2.580 25125
726 1 2 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.564 0.397 25125
727 1 2 . 1 1 9 9 VAL C C 9 173.131 173.131 173.345 -0.214 25125
728 1 2 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.787 -1.112 25125
729 1 2 . 1 1 9 9 VAL CB C 9 32.911 32.911 35.180 -2.269 25125
730 1 2 . 1 1 9 9 VAL H H 9 9.107 9.107 8.427 0.680 25125
731 1 2 . 1 1 10 10 ASP N N 10 124.306 124.306 125.825 -1.519 25125
732 1 2 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.051 -0.482 25125
733 1 2 . 1 1 10 10 ASP C C 10 175.029 175.029 174.485 0.544 25125
734 1 2 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.333 1.414 25125
735 1 2 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.539 0.570 25125
736 1 2 . 1 1 10 10 ASP H H 10 7.775 7.775 8.025 -0.250 25125
737 1 2 . 1 1 11 11 ASP N N 11 126.714 126.714 117.476 9.238 25125
738 1 2 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.920 -0.385 25125
739 1 2 . 1 1 11 11 ASP C C 11 175.689 175.689 174.731 0.958 25125
740 1 2 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.903 1.815 25125
741 1 2 . 1 1 11 11 ASP CB C 11 42.074 42.074 43.072 -0.998 25125
742 1 2 . 1 1 11 11 ASP H H 11 9.033 9.033 8.552 0.481 25125
743 1 2 . 1 1 12 12 ASP N N 12 121.877 121.877 118.780 3.097 25125
744 1 2 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.962 -0.316 25125
745 1 2 . 1 1 12 12 ASP C C 12 177.036 177.036 176.561 0.475 25125
746 1 2 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.465 -0.161 25125
747 1 2 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.608 -2.444 25125
748 1 2 . 1 1 12 12 ASP H H 12 9.570 9.570 8.145 1.425 25125
749 1 2 . 1 1 13 13 SER N N 13 123.799 123.799 117.795 6.004 25125
750 1 2 . 1 1 13 13 SER HA H 13 3.761 3.761 4.292 -0.531 25125
751 1 2 . 1 1 13 13 SER C C 13 176.156 176.156 176.039 0.117 25125
752 1 2 . 1 1 13 13 SER CA C 13 61.186 61.186 60.883 0.303 25125
753 1 2 . 1 1 13 13 SER CB C 13 62.749 62.749 63.362 -0.613 25125
754 1 2 . 1 1 13 13 SER H H 13 8.850 8.850 8.716 0.134 25125
755 1 2 . 1 1 14 14 SER N N 14 119.123 119.123 118.521 0.602 25125
756 1 2 . 1 1 14 14 SER HA H 14 4.361 4.361 4.417 -0.056 25125
757 1 2 . 1 1 14 14 SER C C 14 176.404 176.404 176.525 -0.121 25125
758 1 2 . 1 1 14 14 SER CA C 14 61.730 61.730 61.261 0.469 25125
759 1 2 . 1 1 14 14 SER CB C 14 62.548 62.548 62.988 -0.440 25125
760 1 2 . 1 1 14 14 SER H H 14 8.531 8.531 8.484 0.047 25125
761 1 2 . 1 1 15 15 ILE N N 15 123.637 123.637 121.818 1.819 25125
762 1 2 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.880 0.065 25125
763 1 2 . 1 1 15 15 ILE C C 15 177.861 177.861 178.109 -0.248 25125
764 1 2 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.581 -2.381 25125
765 1 2 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.575 -0.688 25125
766 1 2 . 1 1 15 15 ILE H H 15 7.206 7.206 8.385 -1.179 25125
767 1 2 . 1 1 16 16 ARG N N 16 116.694 116.694 117.917 -1.223 25125
768 1 2 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.188 -0.465 25125
769 1 2 . 1 1 16 16 ARG C C 16 177.448 177.448 177.706 -0.258 25125
770 1 2 . 1 1 16 16 ARG CA C 16 61.573 61.573 59.133 2.440 25125
771 1 2 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.098 0.349 25125
772 1 2 . 1 1 16 16 ARG H H 16 7.562 7.562 7.678 -0.116 25125
773 1 2 . 1 1 17 17 TRP N N 17 116.848 116.848 123.350 -6.502 25125
774 1 2 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.539 -0.068 25125
775 1 2 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.079 0.361 25125
776 1 2 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.865 -0.573 25125
777 1 2 . 1 1 17 17 TRP H H 17 8.005 8.005 7.506 0.499 25125
778 1 2 . 1 1 18 18 VAL N N 18 116.964 116.964 117.229 -0.265 25125
779 1 2 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.933 0.742 25125
780 1 2 . 1 1 18 18 VAL C C 18 179.181 179.181 176.989 2.192 25125
781 1 2 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.799 -0.091 25125
782 1 2 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.736 0.901 25125
783 1 2 . 1 1 18 18 VAL H H 18 8.110 8.110 8.721 -0.611 25125
784 1 2 . 1 1 19 19 LEU N N 19 120.186 120.186 119.031 1.155 25125
785 1 2 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.278 -0.203 25125
786 1 2 . 1 1 19 19 LEU C C 19 177.778 177.778 178.739 -0.961 25125
787 1 2 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.847 0.974 25125
788 1 2 . 1 1 19 19 LEU CB C 19 41.781 41.781 42.090 -0.309 25125
789 1 2 . 1 1 19 19 LEU H H 19 8.073 8.073 7.595 0.478 25125
790 1 2 . 1 1 20 20 GLU N N 20 120.193 120.193 120.778 -0.585 25125
791 1 2 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.889 0.052 25125
792 1 2 . 1 1 20 20 GLU C C 20 178.603 178.603 178.610 -0.007 25125
793 1 2 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.949 0.661 25125
794 1 2 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.769 -0.681 25125
795 1 2 . 1 1 20 20 GLU H H 20 8.387 8.387 7.874 0.513 25125
796 1 2 . 1 1 21 21 ARG N N 21 116.076 116.076 117.480 -1.404 25125
797 1 2 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.864 0.029 25125
798 1 2 . 1 1 21 21 ARG C C 21 179.676 179.676 178.202 1.474 25125
799 1 2 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.878 -0.429 25125
800 1 2 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.242 0.611 25125
801 1 2 . 1 1 21 21 ARG H H 21 7.602 7.602 8.225 -0.623 25125
802 1 2 . 1 1 22 22 ALA N N 22 122.405 122.405 122.120 0.285 25125
803 1 2 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.004 0.093 25125
804 1 2 . 1 1 22 22 ALA C C 22 180.501 180.501 179.364 1.137 25125
805 1 2 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.446 0.132 25125
806 1 2 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.686 0.546 25125
807 1 2 . 1 1 22 22 ALA H H 22 7.992 7.992 7.377 0.615 25125
808 1 2 . 1 1 23 23 LEU N N 23 118.026 118.026 119.004 -0.978 25125
809 1 2 . 1 1 23 23 LEU HA H 23 4.001 4.001 3.961 0.040 25125
810 1 2 . 1 1 23 23 LEU C C 23 178.878 178.878 179.288 -0.410 25125
811 1 2 . 1 1 23 23 LEU CA C 23 57.721 57.721 57.425 0.296 25125
812 1 2 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.769 -2.114 25125
813 1 2 . 1 1 23 23 LEU H H 23 8.825 8.825 7.460 1.365 25125
814 1 2 . 1 1 24 24 ALA N N 24 122.159 122.159 119.442 2.717 25125
815 1 2 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.046 0.587 25125
816 1 2 . 1 1 24 24 ALA C C 24 183.141 183.141 178.562 4.579 25125
817 1 2 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.285 0.463 25125
818 1 2 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.640 -0.938 25125
819 1 2 . 1 1 24 24 ALA H H 24 8.125 8.125 8.271 -0.146 25125
820 1 2 . 1 1 25 25 GLY N N 25 106.891 106.891 105.448 1.443 25125
821 1 2 . 1 1 25 25 GLY C C 25 174.286 174.286 174.154 0.132 25125
822 1 2 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.953 1.468 25125
823 1 2 . 1 1 25 25 GLY H H 25 7.870 7.870 7.707 0.163 25125
824 1 2 . 1 1 26 26 ALA N N 26 121.819 121.819 122.952 -1.133 25125
825 1 2 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.621 -0.122 25125
826 1 2 . 1 1 26 26 ALA C C 26 176.953 176.953 178.083 -1.130 25125
827 1 2 . 1 1 26 26 ALA CA C 26 51.519 51.519 50.915 0.604 25125
828 1 2 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.119 -1.397 25125
829 1 2 . 1 1 26 26 ALA H H 26 7.285 7.285 7.367 -0.082 25125
830 1 2 . 1 1 27 27 GLY N N 27 106.197 106.197 107.328 -1.131 25125
831 1 2 . 1 1 27 27 GLY C C 27 173.956 173.956 173.103 0.853 25125
832 1 2 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.899 0.417 25125
833 1 2 . 1 1 27 27 GLY H H 27 7.824 7.824 8.691 -0.867 25125
834 1 2 . 1 1 28 28 LEU N N 28 120.291 120.291 118.434 1.857 25125
835 1 2 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.725 -0.150 25125
836 1 2 . 1 1 28 28 LEU C C 28 175.881 175.881 176.379 -0.498 25125
837 1 2 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.167 0.476 25125
838 1 2 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.825 -2.340 25125
839 1 2 . 1 1 28 28 LEU H H 28 7.678 7.678 7.134 0.544 25125
840 1 2 . 1 1 29 29 THR N N 29 118.040 118.040 116.844 1.196 25125
841 1 2 . 1 1 29 29 THR HA H 29 4.335 4.335 4.278 0.057 25125
842 1 2 . 1 1 29 29 THR C C 29 173.186 173.186 174.149 -0.963 25125
843 1 2 . 1 1 29 29 THR CA C 29 62.479 62.479 63.805 -1.326 25125
844 1 2 . 1 1 29 29 THR CB C 29 69.465 69.465 69.650 -0.186 25125
845 1 2 . 1 1 29 29 THR H H 29 8.527 8.527 8.457 0.070 25125
846 1 2 . 1 1 30 30 CYS N N 30 128.387 128.387 120.274 8.113 25125
847 1 2 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.404 0.539 25125
848 1 2 . 1 1 30 30 CYS C C 30 173.846 173.846 174.074 -0.228 25125
849 1 2 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.429 -0.067 25125
850 1 2 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.579 -0.099 25125
851 1 2 . 1 1 30 30 CYS H H 30 8.968 8.968 8.516 0.452 25125
852 1 2 . 1 1 31 31 THR N N 31 126.481 126.481 123.705 2.776 25125
853 1 2 . 1 1 31 31 THR HA H 31 4.433 4.433 4.406 0.027 25125
854 1 2 . 1 1 31 31 THR C C 31 172.609 172.609 173.549 -0.940 25125
855 1 2 . 1 1 31 31 THR CA C 31 61.951 61.951 61.804 0.147 25125
856 1 2 . 1 1 31 31 THR CB C 31 70.567 70.567 69.915 0.652 25125
857 1 2 . 1 1 31 31 THR H H 31 8.614 8.614 8.435 0.179 25125
858 1 2 . 1 1 32 32 THR N N 32 116.418 116.418 117.636 -1.218 25125
859 1 2 . 1 1 32 32 THR HA H 32 5.330 5.330 5.321 0.009 25125
860 1 2 . 1 1 32 32 THR C C 32 172.306 172.306 173.246 -0.940 25125
861 1 2 . 1 1 32 32 THR CA C 32 59.173 59.173 60.169 -0.996 25125
862 1 2 . 1 1 32 32 THR CB C 32 70.917 70.917 69.906 1.011 25125
863 1 2 . 1 1 32 32 THR H H 32 8.299 8.299 8.243 0.056 25125
864 1 2 . 1 1 33 33 PHE N N 33 118.067 118.067 126.618 -8.551 25125
865 1 2 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.795 -0.152 25125
866 1 2 . 1 1 33 33 PHE C C 33 174.341 174.341 175.587 -1.246 25125
867 1 2 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.683 -0.151 25125
868 1 2 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.093 1.216 25125
869 1 2 . 1 1 33 33 PHE H H 33 8.890 8.890 8.869 0.021 25125
870 1 2 . 1 1 34 34 GLU N N 34 118.499 118.499 116.882 1.617 25125
871 1 2 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.765 -0.411 25125
872 1 2 . 1 1 34 34 GLU C C 34 175.414 175.414 175.054 0.360 25125
873 1 2 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.686 1.006 25125
874 1 2 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.844 0.623 25125
875 1 2 . 1 1 34 34 GLU H H 34 9.023 9.023 8.701 0.322 25125
876 1 2 . 1 1 35 35 ASN N N 35 109.907 109.907 117.450 -7.543 25125
877 1 2 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.958 -0.177 25125
878 1 2 . 1 1 35 35 ASN C C 35 175.139 175.139 176.161 -1.022 25125
879 1 2 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.436 -1.290 25125
880 1 2 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.559 0.764 25125
881 1 2 . 1 1 35 35 ASN H H 35 7.401 7.401 7.610 -0.209 25125
882 1 2 . 1 1 36 36 GLY N N 36 106.739 106.739 113.226 -6.487 25125
883 1 2 . 1 1 36 36 GLY C C 36 174.616 174.616 175.285 -0.669 25125
884 1 2 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.334 -0.318 25125
885 1 2 . 1 1 36 36 GLY H H 36 8.877 8.877 9.055 -0.178 25125
886 1 2 . 1 1 37 37 ASN N N 37 120.462 120.462 118.711 1.751 25125
887 1 2 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.469 -0.107 25125
888 1 2 . 1 1 37 37 ASN C C 37 178.686 178.686 176.962 1.724 25125
889 1 2 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.701 0.831 25125
890 1 2 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.257 -0.673 25125
891 1 2 . 1 1 37 37 ASN H H 37 8.366 8.366 8.682 -0.316 25125
892 1 2 . 1 1 38 38 GLU N N 38 119.360 119.360 118.307 1.053 25125
893 1 2 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.271 -0.201 25125
894 1 2 . 1 1 38 38 GLU C C 38 179.263 179.263 177.625 1.638 25125
895 1 2 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.785 0.847 25125
896 1 2 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.066 0.466 25125
897 1 2 . 1 1 38 38 GLU H H 38 7.990 7.990 7.962 0.028 25125
898 1 2 . 1 1 39 39 VAL N N 39 119.259 119.259 118.926 0.333 25125
899 1 2 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.151 -0.383 25125
900 1 2 . 1 1 39 39 VAL C C 39 176.431 176.431 177.227 -0.796 25125
901 1 2 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.439 -0.496 25125
902 1 2 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.964 -0.889 25125
903 1 2 . 1 1 39 39 VAL H H 39 6.883 6.883 7.670 -0.787 25125
904 1 2 . 1 1 40 40 LEU N N 40 119.627 119.627 121.358 -1.731 25125
905 1 2 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.006 -0.079 25125
906 1 2 . 1 1 40 40 LEU C C 40 179.538 179.538 178.050 1.488 25125
907 1 2 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.076 -0.136 25125
908 1 2 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.480 -0.412 25125
909 1 2 . 1 1 40 40 LEU H H 40 7.692 7.692 7.821 -0.129 25125
910 1 2 . 1 1 41 41 ALA N N 41 120.051 120.051 119.821 0.230 25125
911 1 2 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.174 -0.034 25125
912 1 2 . 1 1 41 41 ALA C C 41 180.528 180.528 178.543 1.985 25125
913 1 2 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.226 0.424 25125
914 1 2 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.084 -0.218 25125
915 1 2 . 1 1 41 41 ALA H H 41 7.553 7.553 7.836 -0.283 25125
916 1 2 . 1 1 42 42 ALA N N 42 122.731 122.731 121.315 1.416 25125
917 1 2 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.189 0.010 25125
918 1 2 . 1 1 42 42 ALA C C 42 180.198 180.198 180.323 -0.125 25125
919 1 2 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.500 0.532 25125
920 1 2 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.358 1.041 25125
921 1 2 . 1 1 42 42 ALA H H 42 7.604 7.604 7.227 0.377 25125
922 1 2 . 1 1 43 43 LEU N N 43 119.131 119.131 119.063 0.068 25125
923 1 2 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.971 1.235 25125
924 1 2 . 1 1 43 43 LEU C C 43 177.421 177.421 179.032 -1.611 25125
925 1 2 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.408 -1.863 25125
926 1 2 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.119 1.485 25125
927 1 2 . 1 1 43 43 LEU H H 43 8.288 8.288 8.079 0.209 25125
928 1 2 . 1 1 44 44 ALA N N 44 119.065 119.065 118.294 0.771 25125
929 1 2 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.205 0.024 25125
930 1 2 . 1 1 44 44 ALA C C 44 178.686 178.686 178.471 0.215 25125
931 1 2 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.776 0.462 25125
932 1 2 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.350 0.166 25125
933 1 2 . 1 1 44 44 ALA H H 44 7.302 7.302 7.828 -0.526 25125
934 1 2 . 1 1 45 45 SER N N 45 108.656 108.656 114.770 -6.114 25125
935 1 2 . 1 1 45 45 SER HA H 45 4.742 4.742 4.360 0.382 25125
936 1 2 . 1 1 45 45 SER C C 45 173.296 173.296 176.326 -3.030 25125
937 1 2 . 1 1 45 45 SER CA C 45 58.656 58.656 60.947 -2.291 25125
938 1 2 . 1 1 45 45 SER CB C 45 65.407 65.407 63.894 1.513 25125
939 1 2 . 1 1 45 45 SER H H 45 7.728 7.728 8.139 -0.411 25125
940 1 2 . 1 1 46 46 LYS N N 46 123.016 123.016 116.510 6.506 25125
941 1 2 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.591 -0.005 25125
942 1 2 . 1 1 46 46 LYS C C 46 172.719 172.719 175.794 -3.075 25125
943 1 2 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.387 -0.875 25125
944 1 2 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.658 1.567 25125
945 1 2 . 1 1 46 46 LYS H H 46 8.101 8.101 7.838 0.264 25125
946 1 2 . 1 1 47 47 THR N N 47 111.780 111.780 115.605 -3.825 25125
947 1 2 . 1 1 47 47 THR HA H 47 4.282 4.282 3.952 0.330 25125
948 1 2 . 1 1 47 47 THR CA C 47 57.806 57.806 62.048 -4.242 25125
949 1 2 . 1 1 47 47 THR CB C 47 70.594 70.594 68.121 2.473 25125
950 1 2 . 1 1 47 47 THR H H 47 7.677 7.677 7.842 -0.165 25125
951 1 2 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.971 -0.066 25125
952 1 2 . 1 1 48 48 PRO C C 48 172.966 172.966 175.041 -2.075 25125
953 1 2 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.297 -1.432 25125
954 1 2 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.486 -1.210 25125
955 1 2 . 1 1 49 49 ASP N N 49 115.035 115.035 117.927 -2.892 25125
956 1 2 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.686 -0.242 25125
957 1 2 . 1 1 49 49 ASP C C 49 175.634 175.634 175.518 0.116 25125
958 1 2 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.110 1.337 25125
959 1 2 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.893 -0.381 25125
960 1 2 . 1 1 49 49 ASP H H 49 8.502 8.502 7.954 0.548 25125
961 1 2 . 1 1 50 50 VAL N N 50 112.082 112.082 116.346 -4.264 25125
962 1 2 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.578 -0.298 25125
963 1 2 . 1 1 50 50 VAL C C 50 171.454 171.454 172.847 -1.393 25125
964 1 2 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.899 -1.337 25125
965 1 2 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.919 -0.283 25125
966 1 2 . 1 1 50 50 VAL H H 50 7.173 7.173 7.129 0.044 25125
967 1 2 . 1 1 51 51 LEU N N 51 128.247 128.247 126.340 1.907 25125
968 1 2 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.342 -0.023 25125
969 1 2 . 1 1 51 51 LEU C C 51 173.104 173.104 175.057 -1.953 25125
970 1 2 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.009 0.209 25125
971 1 2 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.590 -0.084 25125
972 1 2 . 1 1 51 51 LEU H H 51 8.059 8.059 8.063 -0.004 25125
973 1 2 . 1 1 52 52 LEU N N 52 128.407 128.407 121.016 7.391 25125
974 1 2 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.884 0.617 25125
975 1 2 . 1 1 52 52 LEU C C 52 175.414 175.414 176.078 -0.664 25125
976 1 2 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.385 -0.061 25125
977 1 2 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.595 1.926 25125
978 1 2 . 1 1 52 52 LEU H H 52 9.242 9.242 8.135 1.107 25125
979 1 2 . 1 1 53 53 SER N N 53 114.946 114.946 117.516 -2.570 25125
980 1 2 . 1 1 53 53 SER HA H 53 5.595 5.595 4.217 1.378 25125
981 1 2 . 1 1 53 53 SER C C 53 174.644 174.644 173.653 0.991 25125
982 1 2 . 1 1 53 53 SER CA C 53 55.954 55.954 59.999 -4.045 25125
983 1 2 . 1 1 53 53 SER CB C 53 66.473 66.473 64.059 2.414 25125
984 1 2 . 1 1 53 53 SER H H 53 8.695 8.695 8.138 0.557 25125
985 1 2 . 1 1 54 54 ASP N N 54 128.341 128.341 126.044 2.297 25125
986 1 2 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.914 0.411 25125
987 1 2 . 1 1 54 54 ASP C C 54 176.816 176.816 175.676 1.140 25125
988 1 2 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.931 1.562 25125
989 1 2 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.782 -0.454 25125
990 1 2 . 1 1 54 54 ASP H H 54 7.886 7.886 8.086 -0.200 25125
991 1 2 . 1 1 55 55 ILE N N 55 121.229 121.229 126.061 -4.832 25125
992 1 2 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.095 0.090 25125
993 1 2 . 1 1 55 55 ILE C C 55 175.084 175.084 175.114 -0.030 25125
994 1 2 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.644 -0.102 25125
995 1 2 . 1 1 55 55 ILE CB C 55 39.029 39.029 37.032 1.997 25125
996 1 2 . 1 1 55 55 ILE H H 55 8.722 8.722 8.204 0.518 25125
997 1 2 . 1 1 56 56 ARG N N 56 124.188 124.188 124.918 -0.730 25125
998 1 2 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.500 0.005 25125
999 1 2 . 1 1 56 56 ARG C C 56 175.661 175.661 174.944 0.717 25125
1000 1 2 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.219 -0.778 25125
1001 1 2 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.762 -1.401 25125
1002 1 2 . 1 1 56 56 ARG H H 56 8.499 8.499 8.486 0.013 25125
1003 1 2 . 1 1 57 57 MET N N 57 122.581 122.581 116.844 5.737 25125
1004 1 2 . 1 1 57 57 MET HA H 57 4.821 4.821 5.158 -0.337 25125
1005 1 2 . 1 1 57 57 MET CA C 57 53.132 53.132 52.767 0.365 25125
1006 1 2 . 1 1 57 57 MET CB C 57 33.445 33.445 35.552 -2.107 25125
1007 1 2 . 1 1 57 57 MET H H 57 7.956 7.956 7.703 0.253 25125
1008 1 2 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.392 0.001 25125
1009 1 2 . 1 1 58 58 PRO C C 58 177.806 177.806 177.454 0.352 25125
1010 1 2 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.294 -0.796 25125
1011 1 2 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.564 0.243 25125
1012 1 2 . 1 1 59 59 GLY N N 59 111.082 111.082 108.369 2.713 25125
1013 1 2 . 1 1 59 59 GLY C C 59 173.626 173.626 175.443 -1.817 25125
1014 1 2 . 1 1 59 59 GLY CA C 59 45.590 45.590 46.122 -0.532 25125
1015 1 2 . 1 1 59 59 GLY H H 59 8.653 8.653 8.238 0.415 25125
1016 1 2 . 1 1 60 60 MET N N 60 120.052 120.052 121.778 -1.726 25125
1017 1 2 . 1 1 60 60 MET HA H 60 4.525 4.525 4.494 0.031 25125
1018 1 2 . 1 1 60 60 MET C C 60 173.956 173.956 176.445 -2.489 25125
1019 1 2 . 1 1 60 60 MET CA C 60 55.047 55.047 55.210 -0.163 25125
1020 1 2 . 1 1 60 60 MET CB C 60 34.506 34.506 32.687 1.819 25125
1021 1 2 . 1 1 60 60 MET H H 60 7.968 7.968 8.014 -0.046 25125
1022 1 2 . 1 1 61 61 ASP N N 61 121.306 121.306 118.926 2.380 25125
1023 1 2 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.252 0.452 25125
1024 1 2 . 1 1 61 61 ASP C C 61 176.761 176.761 176.598 0.163 25125
1025 1 2 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.674 -3.945 25125
1026 1 2 . 1 1 61 61 ASP CB C 61 41.069 41.069 39.916 1.153 25125
1027 1 2 . 1 1 61 61 ASP H H 61 8.379 8.379 8.086 0.293 25125
1028 1 2 . 1 1 62 62 GLY N N 62 110.874 110.874 105.758 5.116 25125
1029 1 2 . 1 1 62 62 GLY C C 62 175.194 175.194 174.626 0.568 25125
1030 1 2 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.659 1.442 25125
1031 1 2 . 1 1 62 62 GLY H H 62 8.707 8.707 8.470 0.237 25125
1032 1 2 . 1 1 63 63 LEU N N 63 121.299 121.299 121.673 -0.374 25125
1033 1 2 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.588 -0.411 25125
1034 1 2 . 1 1 63 63 LEU C C 63 178.356 178.356 178.055 0.301 25125
1035 1 2 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.198 1.680 25125
1036 1 2 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.172 1.066 25125
1037 1 2 . 1 1 63 63 LEU H H 63 8.045 8.045 7.879 0.166 25125
1038 1 2 . 1 1 64 64 ALA N N 64 122.741 122.741 123.671 -0.930 25125
1039 1 2 . 1 1 64 64 ALA HA H 64 4.062 4.062 3.980 0.082 25125
1040 1 2 . 1 1 64 64 ALA C C 64 180.556 180.556 179.296 1.260 25125
1041 1 2 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.398 -0.782 25125
1042 1 2 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.905 0.095 25125
1043 1 2 . 1 1 64 64 ALA H H 64 7.859 7.859 8.019 -0.160 25125
1044 1 2 . 1 1 65 65 LEU N N 65 120.287 120.287 115.032 5.255 25125
1045 1 2 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.330 -0.268 25125
1046 1 2 . 1 1 65 65 LEU C C 65 178.191 178.191 178.434 -0.243 25125
1047 1 2 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.912 1.107 25125
1048 1 2 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.925 -0.687 25125
1049 1 2 . 1 1 65 65 LEU H H 65 8.022 8.022 7.690 0.332 25125
1050 1 2 . 1 1 66 66 LEU N N 66 118.738 118.738 120.147 -1.409 25125
1051 1 2 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.186 -0.328 25125
1052 1 2 . 1 1 66 66 LEU C C 66 178.631 178.631 178.824 -0.193 25125
1053 1 2 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.688 1.659 25125
1054 1 2 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.880 0.357 25125
1055 1 2 . 1 1 66 66 LEU H H 66 8.101 8.101 7.829 0.272 25125
1056 1 2 . 1 1 67 67 LYS N N 67 117.842 117.842 117.576 0.266 25125
1057 1 2 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.108 -0.126 25125
1058 1 2 . 1 1 67 67 LYS C C 67 179.263 179.263 178.803 0.460 25125
1059 1 2 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.848 0.949 25125
1060 1 2 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.944 0.264 25125
1061 1 2 . 1 1 67 67 LYS H H 67 8.010 8.010 8.279 -0.269 25125
1062 1 2 . 1 1 68 68 GLN N N 68 118.875 118.875 117.977 0.898 25125
1063 1 2 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.272 -0.216 25125
1064 1 2 . 1 1 68 68 GLN C C 68 179.071 179.071 177.784 1.287 25125
1065 1 2 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.134 0.939 25125
1066 1 2 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.736 -0.125 25125
1067 1 2 . 1 1 68 68 GLN H H 68 7.809 7.809 7.485 0.324 25125
1068 1 2 . 1 1 69 69 ILE N N 69 120.377 120.377 121.717 -1.340 25125
1069 1 2 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.965 -0.435 25125
1070 1 2 . 1 1 69 69 ILE C C 69 177.421 177.421 178.099 -0.678 25125
1071 1 2 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.038 0.840 25125
1072 1 2 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.785 -0.201 25125
1073 1 2 . 1 1 69 69 ILE H H 69 8.481 8.481 7.643 0.838 25125
1074 1 2 . 1 1 70 70 LYS N N 70 117.873 117.873 118.696 -0.823 25125
1075 1 2 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.214 -0.254 25125
1076 1 2 . 1 1 70 70 LYS C C 70 178.053 178.053 178.243 -0.190 25125
1077 1 2 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.020 -0.932 25125
1078 1 2 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.125 -0.913 25125
1079 1 2 . 1 1 70 70 LYS H H 70 8.220 8.220 7.608 0.612 25125
1080 1 2 . 1 1 71 71 GLN N N 71 116.315 116.315 116.816 -0.501 25125
1081 1 2 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.235 -0.243 25125
1082 1 2 . 1 1 71 71 GLN C C 71 177.366 177.366 177.419 -0.053 25125
1083 1 2 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.715 0.475 25125
1084 1 2 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.891 -0.226 25125
1085 1 2 . 1 1 71 71 GLN H H 71 7.601 7.601 7.324 0.277 25125
1086 1 2 . 1 1 72 72 ARG N N 72 116.530 116.530 118.453 -1.923 25125
1087 1 2 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.285 -0.255 25125
1088 1 2 . 1 1 72 72 ARG C C 72 175.826 175.826 176.522 -0.696 25125
1089 1 2 . 1 1 72 72 ARG CA C 72 57.222 57.222 56.710 0.512 25125
1090 1 2 . 1 1 72 72 ARG CB C 72 31.802 31.802 32.126 -0.324 25125
1091 1 2 . 1 1 72 72 ARG H H 72 7.301 7.301 8.047 -0.746 25125
1092 1 2 . 1 1 73 73 HIS N N 73 116.755 116.755 117.856 -1.101 25125
1093 1 2 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.021 -0.061 25125
1094 1 2 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.631 -0.413 25125
1095 1 2 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.086 0.476 25125
1096 1 2 . 1 1 73 73 HIS H H 73 8.331 8.331 7.967 0.364 25125
1097 1 2 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.364 0.135 25125
1098 1 2 . 1 1 74 74 PRO C C 74 178.466 178.466 177.576 0.890 25125
1099 1 2 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.169 -0.056 25125
1100 1 2 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.206 -0.111 25125
1101 1 2 . 1 1 75 75 MET N N 75 114.814 114.814 113.327 1.487 25125
1102 1 2 . 1 1 75 75 MET HA H 75 4.567 4.567 4.467 0.100 25125
1103 1 2 . 1 1 75 75 MET C C 75 176.046 176.046 175.902 0.144 25125
1104 1 2 . 1 1 75 75 MET CA C 75 54.266 54.266 55.752 -1.486 25125
1105 1 2 . 1 1 75 75 MET CB C 75 31.288 31.288 31.988 -0.700 25125
1106 1 2 . 1 1 75 75 MET H H 75 8.623 8.623 7.728 0.895 25125
1107 1 2 . 1 1 76 76 LEU N N 76 125.533 125.533 123.549 1.984 25125
1108 1 2 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.726 -0.421 25125
1109 1 2 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.291 1.821 25125
1110 1 2 . 1 1 76 76 LEU CB C 76 43.685 43.685 44.274 -0.589 25125
1111 1 2 . 1 1 76 76 LEU H H 76 7.337 7.337 7.116 0.221 25125
1112 1 2 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.596 -0.150 25125
1113 1 2 . 1 1 77 77 PRO C C 77 174.974 174.974 175.621 -0.647 25125
1114 1 2 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.624 0.202 25125
1115 1 2 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.519 -0.797 25125
1116 1 2 . 1 1 78 78 VAL N N 78 123.779 123.779 119.109 4.670 25125
1117 1 2 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.941 0.083 25125
1118 1 2 . 1 1 78 78 VAL C C 78 175.441 175.441 175.162 0.279 25125
1119 1 2 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.448 -0.255 25125
1120 1 2 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.472 -2.178 25125
1121 1 2 . 1 1 78 78 VAL H H 78 8.317 8.317 8.037 0.280 25125
1122 1 2 . 1 1 79 79 ILE N N 79 128.334 128.334 120.457 7.877 25125
1123 1 2 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.789 -0.308 25125
1124 1 2 . 1 1 79 79 ILE C C 79 174.479 174.479 174.895 -0.416 25125
1125 1 2 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.006 -0.484 25125
1126 1 2 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.759 -1.796 25125
1127 1 2 . 1 1 79 79 ILE H H 79 9.292 9.292 8.017 1.275 25125
1128 1 2 . 1 1 80 80 ILE N N 80 127.023 127.023 126.550 0.473 25125
1129 1 2 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.146 0.713 25125
1130 1 2 . 1 1 80 80 ILE C C 80 175.029 175.029 174.909 0.120 25125
1131 1 2 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.513 -2.356 25125
1132 1 2 . 1 1 80 80 ILE CB C 80 37.944 37.944 38.629 -0.685 25125
1133 1 2 . 1 1 80 80 ILE H H 80 7.938 7.938 8.818 -0.880 25125
1134 1 2 . 1 1 81 81 MET N N 81 127.255 127.255 126.470 0.785 25125
1135 1 2 . 1 1 81 81 MET HA H 81 5.521 5.521 5.460 0.061 25125
1136 1 2 . 1 1 81 81 MET C C 81 174.534 174.534 175.546 -1.012 25125
1137 1 2 . 1 1 81 81 MET CA C 81 53.513 53.513 55.089 -1.576 25125
1138 1 2 . 1 1 81 81 MET CB C 81 35.483 35.483 35.883 -0.399 25125
1139 1 2 . 1 1 81 81 MET H H 81 8.801 8.801 8.360 0.441 25125
1140 1 2 . 1 1 82 82 THR N N 82 112.857 112.857 117.702 -4.845 25125
1141 1 2 . 1 1 82 82 THR HA H 82 4.914 4.914 4.450 0.464 25125
1142 1 2 . 1 1 82 82 THR C C 82 172.581 172.581 174.342 -1.761 25125
1143 1 2 . 1 1 82 82 THR CA C 82 59.561 59.561 64.435 -4.874 25125
1144 1 2 . 1 1 82 82 THR CB C 82 69.989 69.989 69.428 0.561 25125
1145 1 2 . 1 1 82 82 THR H H 82 7.623 7.623 8.480 -0.857 25125
1146 1 2 . 1 1 83 83 ALA N N 83 129.541 129.541 124.308 5.233 25125
1147 1 2 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.959 0.749 25125
1148 1 2 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.182 -1.644 25125
1149 1 2 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.104 2.043 25125
1150 1 2 . 1 1 83 83 ALA H H 83 9.149 9.149 8.297 0.852 25125
1151 1 2 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.570 -0.298 25125
1152 1 2 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.019 4.681 25125
1153 1 2 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.333 -0.315 25125
1154 1 2 . 1 1 85 85 SER N N 85 112.633 112.633 118.305 -5.672 25125
1155 1 2 . 1 1 85 85 SER HA H 85 4.198 4.198 4.132 0.066 25125
1156 1 2 . 1 1 85 85 SER C C 85 174.506 174.506 173.378 1.128 25125
1157 1 2 . 1 1 85 85 SER CA C 85 59.823 59.823 59.110 0.713 25125
1158 1 2 . 1 1 85 85 SER CB C 85 62.693 62.693 62.347 0.346 25125
1159 1 2 . 1 1 85 85 SER H H 85 8.224 8.224 8.791 -0.567 25125
1160 1 2 . 1 1 86 86 ASP N N 86 120.886 120.886 118.982 1.904 25125
1161 1 2 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.427 0.509 25125
1162 1 2 . 1 1 86 86 ASP C C 86 175.881 175.881 177.189 -1.308 25125
1163 1 2 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.384 -1.450 25125
1164 1 2 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.710 1.293 25125
1165 1 2 . 1 1 86 86 ASP H H 86 7.608 7.608 8.300 -0.692 25125
1166 1 2 . 1 1 87 87 LEU N N 87 121.913 121.913 121.744 0.169 25125
1167 1 2 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.633 0.286 25125
1168 1 2 . 1 1 87 87 LEU C C 87 177.586 177.586 178.348 -0.762 25125
1169 1 2 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.530 -0.693 25125
1170 1 2 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.605 0.710 25125
1171 1 2 . 1 1 87 87 LEU H H 87 7.498 7.498 8.017 -0.519 25125
1172 1 2 . 1 1 88 88 ASP N N 88 117.621 117.621 118.217 -0.596 25125
1173 1 2 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.204 0.068 25125
1174 1 2 . 1 1 88 88 ASP C C 88 178.246 178.246 177.843 0.403 25125
1175 1 2 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.989 -1.179 25125
1176 1 2 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.350 -0.216 25125
1177 1 2 . 1 1 88 88 ASP H H 88 8.322 8.322 8.718 -0.396 25125
1178 1 2 . 1 1 89 89 ALA N N 89 122.874 122.874 120.856 2.018 25125
1179 1 2 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.424 -0.330 25125
1180 1 2 . 1 1 89 89 ALA C C 89 179.346 179.346 179.307 0.039 25125
1181 1 2 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.311 -0.158 25125
1182 1 2 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.771 -0.510 25125
1183 1 2 . 1 1 89 89 ALA H H 89 7.838 7.838 7.706 0.132 25125
1184 1 2 . 1 1 90 90 ALA N N 90 121.673 121.673 122.474 -0.801 25125
1185 1 2 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.061 -0.128 25125
1186 1 2 . 1 1 90 90 ALA C C 90 178.686 178.686 180.371 -1.685 25125
1187 1 2 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.173 -0.510 25125
1188 1 2 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.106 0.276 25125
1189 1 2 . 1 1 90 90 ALA H H 90 7.896 7.896 8.488 -0.592 25125
1190 1 2 . 1 1 91 91 VAL N N 91 117.749 117.749 117.879 -0.130 25125
1191 1 2 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.967 -0.355 25125
1192 1 2 . 1 1 91 91 VAL C C 91 178.411 178.411 177.402 1.009 25125
1193 1 2 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.814 -1.633 25125
1194 1 2 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.340 0.297 25125
1195 1 2 . 1 1 91 91 VAL H H 91 8.098 8.098 8.597 -0.499 25125
1196 1 2 . 1 1 92 92 SER N N 92 114.942 114.942 113.760 1.182 25125
1197 1 2 . 1 1 92 92 SER HA H 92 4.231 4.231 4.480 -0.249 25125
1198 1 2 . 1 1 92 92 SER C C 92 175.826 175.826 175.736 0.090 25125
1199 1 2 . 1 1 92 92 SER CA C 92 60.649 60.649 59.644 1.005 25125
1200 1 2 . 1 1 92 92 SER CB C 92 63.063 63.063 64.159 -1.096 25125
1201 1 2 . 1 1 92 92 SER H H 92 7.825 7.825 7.859 -0.034 25125
1202 1 2 . 1 1 93 93 ALA N N 93 122.580 122.580 123.191 -0.611 25125
1203 1 2 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.217 -0.160 25125
1204 1 2 . 1 1 93 93 ALA C C 93 178.906 178.906 179.392 -0.486 25125
1205 1 2 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.626 -0.309 25125
1206 1 2 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.743 -0.446 25125
1207 1 2 . 1 1 93 93 ALA H H 93 7.861 7.861 8.370 -0.509 25125
1208 1 2 . 1 1 94 94 TYR N N 94 118.447 118.447 120.741 -2.294 25125
1209 1 2 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.270 0.222 25125
1210 1 2 . 1 1 94 94 TYR C C 94 177.393 177.393 177.542 -0.149 25125
1211 1 2 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.090 -0.839 25125
1212 1 2 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.407 0.027 25125
1213 1 2 . 1 1 94 94 TYR H H 94 8.150 8.150 7.935 0.215 25125
1214 1 2 . 1 1 95 95 GLN N N 95 119.787 119.787 115.823 3.964 25125
1215 1 2 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.062 -0.019 25125
1216 1 2 . 1 1 95 95 GLN C C 95 176.981 176.981 176.501 0.480 25125
1217 1 2 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.967 0.499 25125
1218 1 2 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.802 0.287 25125
1219 1 2 . 1 1 95 95 GLN H H 95 8.271 8.271 7.932 0.339 25125
1220 1 2 . 1 1 96 96 GLN N N 96 117.878 117.878 118.765 -0.887 25125
1221 1 2 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.260 0.085 25125
1222 1 2 . 1 1 96 96 GLN C C 96 175.854 175.854 176.074 -0.220 25125
1223 1 2 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.055 0.116 25125
1224 1 2 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.174 0.301 25125
1225 1 2 . 1 1 96 96 GLN H H 96 7.944 7.944 7.806 0.138 25125
1226 1 2 . 1 1 97 97 GLY N N 97 106.670 106.670 106.022 0.648 25125
1227 1 2 . 1 1 97 97 GLY C C 97 174.231 174.231 172.897 1.334 25125
1228 1 2 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.812 0.674 25125
1229 1 2 . 1 1 97 97 GLY H H 97 7.949 7.949 8.180 -0.231 25125
1230 1 2 . 1 1 98 98 ALA N N 98 122.898 122.898 121.574 1.324 25125
1231 1 2 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.499 -0.124 25125
1232 1 2 . 1 1 98 98 ALA C C 98 175.991 175.991 175.441 0.550 25125
1233 1 2 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.951 2.217 25125
1234 1 2 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.322 -1.353 25125
1235 1 2 . 1 1 98 98 ALA H H 98 7.808 7.808 7.164 0.644 25125
1236 1 2 . 1 1 99 99 PHE N N 99 123.484 123.484 120.598 2.886 25125
1237 1 2 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.382 -0.032 25125
1238 1 2 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.893 1.563 25125
1239 1 2 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.025 -0.585 25125
1240 1 2 . 1 1 99 99 PHE H H 99 7.704 7.704 8.413 -0.709 25125
1241 1 2 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.855 0.649 25125
1242 1 2 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.477 -1.995 25125
1243 1 2 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.229 3.971 25125
1244 1 2 . 1 1 101 101 TYR N N 101 118.148 118.148 119.880 -1.732 25125
1245 1 2 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.459 0.989 25125
1246 1 2 . 1 1 101 101 TYR C C 101 173.159 173.159 174.717 -1.558 25125
1247 1 2 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.610 -0.623 25125
1248 1 2 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.025 2.873 25125
1249 1 2 . 1 1 101 101 TYR H H 101 9.546 9.546 7.405 2.141 25125
1250 1 2 . 1 1 102 102 LEU N N 102 124.100 124.100 119.932 4.168 25125
1251 1 2 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.102 -0.382 25125
1252 1 2 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.652 -1.153 25125
1253 1 2 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.426 -0.365 25125
1254 1 2 . 1 1 102 102 LEU H H 102 8.901 8.901 8.734 0.167 25125
1255 1 2 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.552 0.341 25125
1256 1 2 . 1 1 103 103 PRO C C 103 175.524 175.524 175.533 -0.009 25125
1257 1 2 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.360 -0.475 25125
1258 1 2 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.351 -0.544 25125
1259 1 2 . 1 1 104 104 LYS N N 104 118.848 118.848 121.480 -2.632 25125
1260 1 2 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.893 -0.380 25125
1261 1 2 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.384 -0.166 25125
1262 1 2 . 1 1 104 104 LYS CB C 104 34.744 34.744 34.263 0.481 25125
1263 1 2 . 1 1 104 104 LYS H H 104 8.279 8.279 8.239 0.040 25125
1264 1 2 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.375 -0.076 25125
1265 1 2 . 1 1 105 105 PRO C C 105 175.001 175.001 175.565 -0.564 25125
1266 1 2 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.710 -0.316 25125
1267 1 2 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.173 1.921 25125
1268 1 2 . 1 1 106 106 PHE N N 106 116.607 116.607 115.055 1.552 25125
1269 1 2 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.728 0.442 25125
1270 1 2 . 1 1 106 106 PHE C C 106 175.221 175.221 174.188 1.033 25125
1271 1 2 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.087 -2.652 25125
1272 1 2 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.118 0.282 25125
1273 1 2 . 1 1 106 106 PHE H H 106 7.457 7.457 7.423 0.034 25125
1274 1 2 . 1 1 107 107 ASP N N 107 122.214 122.214 122.287 -0.073 25125
1275 1 2 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.951 -0.119 25125
1276 1 2 . 1 1 107 107 ASP C C 107 177.778 177.778 177.150 0.628 25125
1277 1 2 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.938 -0.696 25125
1278 1 2 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.258 1.339 25125
1279 1 2 . 1 1 107 107 ASP H H 107 9.022 9.022 8.584 0.438 25125
1280 1 2 . 1 1 108 108 ILE N N 108 127.706 127.706 125.265 2.441 25125
1281 1 2 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.771 0.194 25125
1282 1 2 . 1 1 108 108 ILE C C 108 176.046 176.046 177.180 -1.134 25125
1283 1 2 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.398 -2.409 25125
1284 1 2 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.086 -0.332 25125
1285 1 2 . 1 1 108 108 ILE H H 108 8.860 8.860 8.758 0.102 25125
1286 1 2 . 1 1 109 109 ASP N N 109 120.058 120.058 118.640 1.418 25125
1287 1 2 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.358 0.030 25125
1288 1 2 . 1 1 109 109 ASP C C 109 179.786 179.786 179.281 0.505 25125
1289 1 2 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.498 -0.004 25125
1290 1 2 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.883 0.171 25125
1291 1 2 . 1 1 109 109 ASP H H 109 8.079 8.079 8.705 -0.626 25125
1292 1 2 . 1 1 110 110 GLU N N 110 121.559 121.559 119.026 2.533 25125
1293 1 2 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.233 -0.165 25125
1294 1 2 . 1 1 110 110 GLU C C 110 179.043 179.043 178.545 0.498 25125
1295 1 2 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.343 0.484 25125
1296 1 2 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.061 -0.717 25125
1297 1 2 . 1 1 110 110 GLU H H 110 8.012 8.012 8.024 -0.012 25125
1298 1 2 . 1 1 111 111 ALA N N 111 122.267 122.267 123.823 -1.556 25125
1299 1 2 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.006 -0.252 25125
1300 1 2 . 1 1 111 111 ALA C C 111 178.493 178.493 179.615 -1.122 25125
1301 1 2 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.347 -0.175 25125
1302 1 2 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.167 0.215 25125
1303 1 2 . 1 1 111 111 ALA H H 111 7.897 7.897 8.090 -0.193 25125
1304 1 2 . 1 1 112 112 VAL N N 112 116.527 116.527 117.579 -1.052 25125
1305 1 2 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.601 -0.434 25125
1306 1 2 . 1 1 112 112 VAL C C 112 177.201 177.201 178.011 -0.810 25125
1307 1 2 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.671 0.474 25125
1308 1 2 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.038 0.514 25125
1309 1 2 . 1 1 112 112 VAL H H 112 8.018 8.018 8.492 -0.474 25125
1310 1 2 . 1 1 113 113 ALA N N 113 119.895 119.895 121.058 -1.163 25125
1311 1 2 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.224 -0.086 25125
1312 1 2 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.350 0.482 25125
1313 1 2 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.572 -0.700 25125
1314 1 2 . 1 1 113 113 ALA H H 113 7.673 7.673 7.429 0.244 25125
1315 1 2 . 1 1 114 114 LEU N N 114 120.650 120.650 120.740 -0.090 25125
1316 1 2 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.083 -0.000 25125
1317 1 2 . 1 1 114 114 LEU C C 114 178.466 178.466 178.626 -0.160 25125
1318 1 2 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.821 0.200 25125
1319 1 2 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.053 -0.220 25125
1320 1 2 . 1 1 114 114 LEU H H 114 7.840 7.840 7.734 0.106 25125
1321 1 2 . 1 1 115 115 VAL N N 115 119.480 119.480 118.398 1.082 25125
1322 1 2 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.462 -0.250 25125
1323 1 2 . 1 1 115 115 VAL C C 115 177.448 177.448 177.083 0.365 25125
1324 1 2 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.220 0.981 25125
1325 1 2 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.906 -1.234 25125
1326 1 2 . 1 1 115 115 VAL H H 115 7.824 7.824 8.040 -0.216 25125
1327 1 2 . 1 1 116 116 GLU N N 116 117.473 117.473 118.455 -0.982 25125
1328 1 2 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.981 -0.192 25125
1329 1 2 . 1 1 116 116 GLU C C 116 179.566 179.566 178.680 0.886 25125
1330 1 2 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.303 0.627 25125
1331 1 2 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.283 -0.187 25125
1332 1 2 . 1 1 116 116 GLU H H 116 8.465 8.465 7.786 0.679 25125
1333 1 2 . 1 1 117 117 ARG N N 117 120.128 120.128 119.104 1.024 25125
1334 1 2 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.106 -0.042 25125
1335 1 2 . 1 1 117 117 ARG C C 117 178.438 178.438 177.610 0.828 25125
1336 1 2 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.613 0.665 25125
1337 1 2 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.069 0.208 25125
1338 1 2 . 1 1 117 117 ARG H H 117 8.012 8.012 7.461 0.551 25125
1339 1 2 . 1 1 118 118 ALA N N 118 122.270 122.270 121.006 1.264 25125
1340 1 2 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.872 -0.416 25125
1341 1 2 . 1 1 118 118 ALA C C 118 178.741 178.741 178.493 0.248 25125
1342 1 2 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.960 0.618 25125
1343 1 2 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.796 -0.637 25125
1344 1 2 . 1 1 118 118 ALA H H 118 7.958 7.958 7.351 0.607 25125
1345 1 2 . 1 1 119 119 ILE N N 119 115.269 115.269 117.729 -2.460 25125
1346 1 2 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.018 -0.290 25125
1347 1 2 . 1 1 119 119 ILE C C 119 177.366 177.366 178.027 -0.661 25125
1348 1 2 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.531 -0.862 25125
1349 1 2 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.684 -0.886 25125
1350 1 2 . 1 1 119 119 ILE H H 119 7.753 7.753 7.580 0.173 25125
1351 1 2 . 1 1 120 120 SER N N 120 115.135 115.135 114.948 0.187 25125
1352 1 2 . 1 1 120 120 SER HA H 120 4.275 4.275 4.016 0.259 25125
1353 1 2 . 1 1 120 120 SER C C 120 175.084 175.084 175.555 -0.471 25125
1354 1 2 . 1 1 120 120 SER CA C 120 59.816 59.816 61.018 -1.202 25125
1355 1 2 . 1 1 120 120 SER CB C 120 63.380 63.380 63.021 0.359 25125
1356 1 2 . 1 1 120 120 SER H H 120 7.816 7.816 8.199 -0.383 25125
1357 1 2 . 1 1 121 121 HIS N N 121 119.908 119.908 117.634 2.274 25125
1358 1 2 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.122 0.300 25125
1359 1 2 . 1 1 121 121 HIS C C 121 175.029 175.029 176.173 -1.144 25125
1360 1 2 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.637 -1.401 25125
1361 1 2 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.553 -0.125 25125
1362 1 2 . 1 1 121 121 HIS H H 121 7.910 7.910 7.727 0.183 25125
1363 1 2 . 1 1 122 122 TYR N N 122 118.880 118.880 116.457 2.423 25125
1364 1 2 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.649 -0.223 25125
1365 1 2 . 1 1 122 122 TYR C C 122 175.276 175.276 177.501 -2.225 25125
1366 1 2 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.399 -0.950 25125
1367 1 2 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.449 -0.845 25125
1368 1 2 . 1 1 122 122 TYR H H 122 7.766 7.766 7.721 0.045 25125
1369 1 2 . 1 1 123 123 GLN N N 123 121.479 121.479 118.373 3.106 25125
1370 1 2 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.467 -0.197 25125
1371 1 2 . 1 1 123 123 GLN C C 123 174.534 174.534 176.129 -1.595 25125
1372 1 2 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.007 0.505 25125
1373 1 2 . 1 1 123 123 GLN CB C 123 29.768 29.768 27.488 2.280 25125
1374 1 2 . 1 1 123 123 GLN H H 123 7.878 7.878 7.878 -0.000 25125
1375 1 3 . 1 1 2 2 GLN HA H 2 4.433 4.433 3.948 0.485 25125
1376 1 3 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.184 -0.620 25125
1377 1 3 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.685 2.915 25125
1378 1 3 . 1 1 3 3 ARG N N 3 121.252 121.252 117.133 4.119 25125
1379 1 3 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.223 0.142 25125
1380 1 3 . 1 1 3 3 ARG C C 3 175.634 175.634 175.673 -0.039 25125
1381 1 3 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.708 -0.717 25125
1382 1 3 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.344 0.953 25125
1383 1 3 . 1 1 3 3 ARG H H 3 8.429 8.429 8.240 0.189 25125
1384 1 3 . 1 1 4 4 GLY N N 4 107.663 107.663 106.648 1.015 25125
1385 1 3 . 1 1 4 4 GLY C C 4 171.041 171.041 173.527 -2.486 25125
1386 1 3 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.340 0.976 25125
1387 1 3 . 1 1 4 4 GLY H H 4 7.963 7.963 7.643 0.320 25125
1388 1 3 . 1 1 5 5 ILE N N 5 122.603 122.603 125.351 -2.748 25125
1389 1 3 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.045 0.654 25125
1390 1 3 . 1 1 5 5 ILE C C 5 175.359 175.359 175.045 0.314 25125
1391 1 3 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.727 -1.117 25125
1392 1 3 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.303 0.273 25125
1393 1 3 . 1 1 5 5 ILE H H 5 9.610 9.610 8.338 1.272 25125
1394 1 3 . 1 1 6 6 VAL N N 6 127.905 127.905 124.292 3.613 25125
1395 1 3 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.964 -0.152 25125
1396 1 3 . 1 1 6 6 VAL C C 6 174.204 174.204 175.330 -1.126 25125
1397 1 3 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.545 -0.986 25125
1398 1 3 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.220 0.306 25125
1399 1 3 . 1 1 6 6 VAL H H 6 9.090 9.090 7.848 1.242 25125
1400 1 3 . 1 1 7 7 TRP N N 7 127.467 127.467 126.894 0.573 25125
1401 1 3 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.328 1.126 25125
1402 1 3 . 1 1 7 7 TRP C C 7 175.056 175.056 175.068 -0.012 25125
1403 1 3 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.415 -1.537 25125
1404 1 3 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.771 0.363 25125
1405 1 3 . 1 1 7 7 TRP H H 7 8.497 8.497 8.457 0.040 25125
1406 1 3 . 1 1 8 8 VAL N N 8 122.068 122.068 117.841 4.227 25125
1407 1 3 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.521 0.565 25125
1408 1 3 . 1 1 8 8 VAL C C 8 173.874 173.874 174.173 -0.299 25125
1409 1 3 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.810 -1.324 25125
1410 1 3 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.301 -0.586 25125
1411 1 3 . 1 1 8 8 VAL H H 8 8.583 8.583 9.558 -0.975 25125
1412 1 3 . 1 1 9 9 VAL N N 9 127.733 127.733 124.899 2.834 25125
1413 1 3 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.572 0.389 25125
1414 1 3 . 1 1 9 9 VAL C C 9 173.131 173.131 173.733 -0.602 25125
1415 1 3 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.078 -1.403 25125
1416 1 3 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.347 0.564 25125
1417 1 3 . 1 1 9 9 VAL H H 9 9.107 9.107 8.839 0.268 25125
1418 1 3 . 1 1 10 10 ASP N N 10 124.306 124.306 126.050 -1.744 25125
1419 1 3 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.931 -0.362 25125
1420 1 3 . 1 1 10 10 ASP C C 10 175.029 175.029 174.444 0.585 25125
1421 1 3 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.538 2.209 25125
1422 1 3 . 1 1 10 10 ASP CB C 10 44.109 44.109 44.210 -0.101 25125
1423 1 3 . 1 1 10 10 ASP H H 10 7.775 7.775 7.896 -0.121 25125
1424 1 3 . 1 1 11 11 ASP N N 11 126.714 126.714 118.452 8.262 25125
1425 1 3 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.980 -0.445 25125
1426 1 3 . 1 1 11 11 ASP C C 11 175.689 175.689 174.777 0.912 25125
1427 1 3 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.422 2.296 25125
1428 1 3 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.949 0.125 25125
1429 1 3 . 1 1 11 11 ASP H H 11 9.033 9.033 8.468 0.565 25125
1430 1 3 . 1 1 12 12 ASP N N 12 121.877 121.877 119.229 2.648 25125
1431 1 3 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.952 -0.306 25125
1432 1 3 . 1 1 12 12 ASP C C 12 177.036 177.036 176.568 0.468 25125
1433 1 3 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.051 0.252 25125
1434 1 3 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.835 -2.671 25125
1435 1 3 . 1 1 12 12 ASP H H 12 9.570 9.570 7.977 1.593 25125
1436 1 3 . 1 1 13 13 SER N N 13 123.799 123.799 117.756 6.043 25125
1437 1 3 . 1 1 13 13 SER HA H 13 3.761 3.761 4.374 -0.613 25125
1438 1 3 . 1 1 13 13 SER C C 13 176.156 176.156 176.116 0.040 25125
1439 1 3 . 1 1 13 13 SER CA C 13 61.186 61.186 61.489 -0.303 25125
1440 1 3 . 1 1 13 13 SER CB C 13 62.749 62.749 63.488 -0.739 25125
1441 1 3 . 1 1 13 13 SER H H 13 8.850 8.850 8.843 0.007 25125
1442 1 3 . 1 1 14 14 SER N N 14 119.123 119.123 119.139 -0.016 25125
1443 1 3 . 1 1 14 14 SER HA H 14 4.361 4.361 4.419 -0.058 25125
1444 1 3 . 1 1 14 14 SER C C 14 176.404 176.404 176.698 -0.294 25125
1445 1 3 . 1 1 14 14 SER CA C 14 61.730 61.730 61.399 0.331 25125
1446 1 3 . 1 1 14 14 SER CB C 14 62.548 62.548 62.776 -0.228 25125
1447 1 3 . 1 1 14 14 SER H H 14 8.531 8.531 8.652 -0.121 25125
1448 1 3 . 1 1 15 15 ILE N N 15 123.637 123.637 122.060 1.577 25125
1449 1 3 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.809 0.136 25125
1450 1 3 . 1 1 15 15 ILE C C 15 177.861 177.861 178.490 -0.629 25125
1451 1 3 . 1 1 15 15 ILE CA C 15 61.200 61.200 64.418 -3.218 25125
1452 1 3 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.549 -0.663 25125
1453 1 3 . 1 1 15 15 ILE H H 15 7.206 7.206 8.265 -1.059 25125
1454 1 3 . 1 1 16 16 ARG N N 16 116.694 116.694 119.164 -2.470 25125
1455 1 3 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.221 -0.498 25125
1456 1 3 . 1 1 16 16 ARG C C 16 177.448 177.448 178.315 -0.867 25125
1457 1 3 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.758 2.815 25125
1458 1 3 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.610 0.837 25125
1459 1 3 . 1 1 16 16 ARG H H 16 7.562 7.562 7.793 -0.231 25125
1460 1 3 . 1 1 17 17 TRP N N 17 116.848 116.848 123.094 -6.246 25125
1461 1 3 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.278 0.193 25125
1462 1 3 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.116 -0.676 25125
1463 1 3 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.307 -0.015 25125
1464 1 3 . 1 1 17 17 TRP H H 17 8.005 8.005 8.295 -0.290 25125
1465 1 3 . 1 1 18 18 VAL N N 18 116.964 116.964 119.146 -2.182 25125
1466 1 3 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.684 0.991 25125
1467 1 3 . 1 1 18 18 VAL C C 18 179.181 179.181 177.655 1.526 25125
1468 1 3 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.232 0.476 25125
1469 1 3 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.288 0.349 25125
1470 1 3 . 1 1 18 18 VAL H H 18 8.110 8.110 8.490 -0.380 25125
1471 1 3 . 1 1 19 19 LEU N N 19 120.186 120.186 117.370 2.816 25125
1472 1 3 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.154 -0.079 25125
1473 1 3 . 1 1 19 19 LEU C C 19 177.778 177.778 178.941 -1.163 25125
1474 1 3 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.181 0.641 25125
1475 1 3 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.492 0.289 25125
1476 1 3 . 1 1 19 19 LEU H H 19 8.073 8.073 7.353 0.720 25125
1477 1 3 . 1 1 20 20 GLU N N 20 120.193 120.193 120.532 -0.339 25125
1478 1 3 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.088 -0.147 25125
1479 1 3 . 1 1 20 20 GLU C C 20 178.603 178.603 178.655 -0.052 25125
1480 1 3 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.495 1.115 25125
1481 1 3 . 1 1 20 20 GLU CB C 20 29.088 29.088 30.018 -0.930 25125
1482 1 3 . 1 1 20 20 GLU H H 20 8.387 8.387 8.178 0.209 25125
1483 1 3 . 1 1 21 21 ARG N N 21 116.076 116.076 118.437 -2.361 25125
1484 1 3 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.949 -0.056 25125
1485 1 3 . 1 1 21 21 ARG C C 21 179.676 179.676 178.397 1.279 25125
1486 1 3 . 1 1 21 21 ARG CA C 21 58.449 58.449 59.086 -0.637 25125
1487 1 3 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.223 0.630 25125
1488 1 3 . 1 1 21 21 ARG H H 21 7.602 7.602 8.180 -0.578 25125
1489 1 3 . 1 1 22 22 ALA N N 22 122.405 122.405 122.310 0.095 25125
1490 1 3 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.047 0.050 25125
1491 1 3 . 1 1 22 22 ALA C C 22 180.501 180.501 179.073 1.428 25125
1492 1 3 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.606 -0.028 25125
1493 1 3 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.237 0.995 25125
1494 1 3 . 1 1 22 22 ALA H H 22 7.992 7.992 7.669 0.323 25125
1495 1 3 . 1 1 23 23 LEU N N 23 118.026 118.026 117.910 0.116 25125
1496 1 3 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.250 -0.249 25125
1497 1 3 . 1 1 23 23 LEU C C 23 178.878 178.878 179.036 -0.158 25125
1498 1 3 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.485 1.236 25125
1499 1 3 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.180 -2.525 25125
1500 1 3 . 1 1 23 23 LEU H H 23 8.825 8.825 7.382 1.443 25125
1501 1 3 . 1 1 24 24 ALA N N 24 122.159 122.159 123.019 -0.860 25125
1502 1 3 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.977 0.656 25125
1503 1 3 . 1 1 24 24 ALA C C 24 183.141 183.141 179.548 3.593 25125
1504 1 3 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.922 -0.175 25125
1505 1 3 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.415 -0.713 25125
1506 1 3 . 1 1 24 24 ALA H H 24 8.125 8.125 8.062 0.063 25125
1507 1 3 . 1 1 25 25 GLY N N 25 106.891 106.891 103.806 3.085 25125
1508 1 3 . 1 1 25 25 GLY C C 25 174.286 174.286 174.613 -0.327 25125
1509 1 3 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.155 1.266 25125
1510 1 3 . 1 1 25 25 GLY H H 25 7.870 7.870 8.079 -0.209 25125
1511 1 3 . 1 1 26 26 ALA N N 26 121.819 121.819 123.495 -1.676 25125
1512 1 3 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.627 -0.128 25125
1513 1 3 . 1 1 26 26 ALA C C 26 176.953 176.953 177.761 -0.808 25125
1514 1 3 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.492 0.028 25125
1515 1 3 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.558 -0.837 25125
1516 1 3 . 1 1 26 26 ALA H H 26 7.285 7.285 7.414 -0.129 25125
1517 1 3 . 1 1 27 27 GLY N N 27 106.197 106.197 106.760 -0.563 25125
1518 1 3 . 1 1 27 27 GLY C C 27 173.956 173.956 173.703 0.253 25125
1519 1 3 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.187 0.129 25125
1520 1 3 . 1 1 27 27 GLY H H 27 7.824 7.824 7.785 0.039 25125
1521 1 3 . 1 1 28 28 LEU N N 28 120.291 120.291 117.970 2.321 25125
1522 1 3 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.810 -0.235 25125
1523 1 3 . 1 1 28 28 LEU C C 28 175.881 175.881 176.463 -0.582 25125
1524 1 3 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.778 0.865 25125
1525 1 3 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.229 -1.744 25125
1526 1 3 . 1 1 28 28 LEU H H 28 7.678 7.678 7.629 0.049 25125
1527 1 3 . 1 1 29 29 THR N N 29 118.040 118.040 116.770 1.270 25125
1528 1 3 . 1 1 29 29 THR HA H 29 4.335 4.335 4.180 0.155 25125
1529 1 3 . 1 1 29 29 THR C C 29 173.186 173.186 174.041 -0.855 25125
1530 1 3 . 1 1 29 29 THR CA C 29 62.479 62.479 64.493 -2.014 25125
1531 1 3 . 1 1 29 29 THR CB C 29 69.465 69.465 69.556 -0.091 25125
1532 1 3 . 1 1 29 29 THR H H 29 8.527 8.527 8.522 0.005 25125
1533 1 3 . 1 1 30 30 CYS N N 30 128.387 128.387 119.048 9.339 25125
1534 1 3 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.475 0.468 25125
1535 1 3 . 1 1 30 30 CYS C C 30 173.846 173.846 173.984 -0.138 25125
1536 1 3 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.304 0.058 25125
1537 1 3 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.295 -1.815 25125
1538 1 3 . 1 1 30 30 CYS H H 30 8.968 8.968 8.356 0.612 25125
1539 1 3 . 1 1 31 31 THR N N 31 126.481 126.481 122.359 4.122 25125
1540 1 3 . 1 1 31 31 THR HA H 31 4.433 4.433 4.416 0.017 25125
1541 1 3 . 1 1 31 31 THR C C 31 172.609 172.609 173.539 -0.930 25125
1542 1 3 . 1 1 31 31 THR CA C 31 61.951 61.951 61.901 0.050 25125
1543 1 3 . 1 1 31 31 THR CB C 31 70.567 70.567 69.916 0.651 25125
1544 1 3 . 1 1 31 31 THR H H 31 8.614 8.614 8.567 0.047 25125
1545 1 3 . 1 1 32 32 THR N N 32 116.418 116.418 117.545 -1.127 25125
1546 1 3 . 1 1 32 32 THR HA H 32 5.330 5.330 4.916 0.414 25125
1547 1 3 . 1 1 32 32 THR C C 32 172.306 172.306 173.245 -0.939 25125
1548 1 3 . 1 1 32 32 THR CA C 32 59.173 59.173 60.901 -1.728 25125
1549 1 3 . 1 1 32 32 THR CB C 32 70.917 70.917 70.095 0.822 25125
1550 1 3 . 1 1 32 32 THR H H 32 8.299 8.299 8.089 0.210 25125
1551 1 3 . 1 1 33 33 PHE N N 33 118.067 118.067 123.634 -5.567 25125
1552 1 3 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.642 0.001 25125
1553 1 3 . 1 1 33 33 PHE C C 33 174.341 174.341 175.289 -0.948 25125
1554 1 3 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.463 0.069 25125
1555 1 3 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.201 1.108 25125
1556 1 3 . 1 1 33 33 PHE H H 33 8.890 8.890 8.755 0.135 25125
1557 1 3 . 1 1 34 34 GLU N N 34 118.499 118.499 116.431 2.068 25125
1558 1 3 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.753 -0.399 25125
1559 1 3 . 1 1 34 34 GLU C C 34 175.414 175.414 174.883 0.531 25125
1560 1 3 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.441 1.251 25125
1561 1 3 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.628 0.839 25125
1562 1 3 . 1 1 34 34 GLU H H 34 9.023 9.023 8.713 0.310 25125
1563 1 3 . 1 1 35 35 ASN N N 35 109.907 109.907 115.960 -6.053 25125
1564 1 3 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.879 -0.098 25125
1565 1 3 . 1 1 35 35 ASN C C 35 175.139 175.139 175.992 -0.853 25125
1566 1 3 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.501 -1.355 25125
1567 1 3 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.946 0.377 25125
1568 1 3 . 1 1 35 35 ASN H H 35 7.401 7.401 7.699 -0.298 25125
1569 1 3 . 1 1 36 36 GLY N N 36 106.739 106.739 111.879 -5.140 25125
1570 1 3 . 1 1 36 36 GLY C C 36 174.616 174.616 175.562 -0.946 25125
1571 1 3 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.992 0.024 25125
1572 1 3 . 1 1 36 36 GLY H H 36 8.877 8.877 9.015 -0.138 25125
1573 1 3 . 1 1 37 37 ASN N N 37 120.462 120.462 118.463 1.999 25125
1574 1 3 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.469 -0.107 25125
1575 1 3 . 1 1 37 37 ASN C C 37 178.686 178.686 177.445 1.241 25125
1576 1 3 . 1 1 37 37 ASN CA C 37 56.532 56.532 56.149 0.383 25125
1577 1 3 . 1 1 37 37 ASN CB C 37 37.584 37.584 37.705 -0.121 25125
1578 1 3 . 1 1 37 37 ASN H H 37 8.366 8.366 8.823 -0.457 25125
1579 1 3 . 1 1 38 38 GLU N N 38 119.360 119.360 118.666 0.694 25125
1580 1 3 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.314 -0.244 25125
1581 1 3 . 1 1 38 38 GLU C C 38 179.263 179.263 177.748 1.515 25125
1582 1 3 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.593 1.039 25125
1583 1 3 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.877 0.655 25125
1584 1 3 . 1 1 38 38 GLU H H 38 7.990 7.990 7.786 0.204 25125
1585 1 3 . 1 1 39 39 VAL N N 39 119.259 119.259 119.445 -0.186 25125
1586 1 3 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.105 -0.337 25125
1587 1 3 . 1 1 39 39 VAL C C 39 176.431 176.431 177.362 -0.931 25125
1588 1 3 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.069 -0.126 25125
1589 1 3 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.921 -0.846 25125
1590 1 3 . 1 1 39 39 VAL H H 39 6.883 6.883 7.079 -0.196 25125
1591 1 3 . 1 1 40 40 LEU N N 40 119.627 119.627 120.980 -1.353 25125
1592 1 3 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.975 -0.048 25125
1593 1 3 . 1 1 40 40 LEU C C 40 179.538 179.538 177.989 1.549 25125
1594 1 3 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.013 -0.073 25125
1595 1 3 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.524 -0.456 25125
1596 1 3 . 1 1 40 40 LEU H H 40 7.692 7.692 8.469 -0.777 25125
1597 1 3 . 1 1 41 41 ALA N N 41 120.051 120.051 120.129 -0.078 25125
1598 1 3 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.122 0.018 25125
1599 1 3 . 1 1 41 41 ALA C C 41 180.528 180.528 179.694 0.834 25125
1600 1 3 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.590 0.060 25125
1601 1 3 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.859 0.007 25125
1602 1 3 . 1 1 41 41 ALA H H 41 7.553 7.553 7.946 -0.393 25125
1603 1 3 . 1 1 42 42 ALA N N 42 122.731 122.731 122.357 0.374 25125
1604 1 3 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.168 0.031 25125
1605 1 3 . 1 1 42 42 ALA C C 42 180.198 180.198 180.162 0.036 25125
1606 1 3 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.626 0.406 25125
1607 1 3 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.010 1.389 25125
1608 1 3 . 1 1 42 42 ALA H H 42 7.604 7.604 7.283 0.321 25125
1609 1 3 . 1 1 43 43 LEU N N 43 119.131 119.131 117.733 1.398 25125
1610 1 3 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.147 1.059 25125
1611 1 3 . 1 1 43 43 LEU C C 43 177.421 177.421 178.147 -0.726 25125
1612 1 3 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.168 -1.623 25125
1613 1 3 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.174 1.430 25125
1614 1 3 . 1 1 43 43 LEU H H 43 8.288 8.288 7.894 0.394 25125
1615 1 3 . 1 1 44 44 ALA N N 44 119.065 119.065 118.918 0.147 25125
1616 1 3 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.348 -0.119 25125
1617 1 3 . 1 1 44 44 ALA C C 44 178.686 178.686 178.066 0.620 25125
1618 1 3 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.461 0.777 25125
1619 1 3 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.795 -0.279 25125
1620 1 3 . 1 1 44 44 ALA H H 44 7.302 7.302 7.765 -0.463 25125
1621 1 3 . 1 1 45 45 SER N N 45 108.656 108.656 112.009 -3.353 25125
1622 1 3 . 1 1 45 45 SER HA H 45 4.742 4.742 4.664 0.078 25125
1623 1 3 . 1 1 45 45 SER C C 45 173.296 173.296 173.884 -0.588 25125
1624 1 3 . 1 1 45 45 SER CA C 45 58.656 58.656 58.641 0.015 25125
1625 1 3 . 1 1 45 45 SER CB C 45 65.407 65.407 63.981 1.426 25125
1626 1 3 . 1 1 45 45 SER H H 45 7.728 7.728 7.657 0.071 25125
1627 1 3 . 1 1 46 46 LYS N N 46 123.016 123.016 119.683 3.333 25125
1628 1 3 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.424 0.162 25125
1629 1 3 . 1 1 46 46 LYS C C 46 172.719 172.719 175.094 -2.375 25125
1630 1 3 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.918 -1.406 25125
1631 1 3 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.186 2.039 25125
1632 1 3 . 1 1 46 46 LYS H H 46 8.101 8.101 7.704 0.397 25125
1633 1 3 . 1 1 47 47 THR N N 47 111.780 111.780 115.020 -3.240 25125
1634 1 3 . 1 1 47 47 THR HA H 47 4.282 4.282 3.811 0.471 25125
1635 1 3 . 1 1 47 47 THR CA C 47 57.806 57.806 61.686 -3.880 25125
1636 1 3 . 1 1 47 47 THR CB C 47 70.594 70.594 67.470 3.124 25125
1637 1 3 . 1 1 47 47 THR H H 47 7.677 7.677 7.803 -0.126 25125
1638 1 3 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.867 0.038 25125
1639 1 3 . 1 1 48 48 PRO C C 48 172.966 172.966 175.973 -3.007 25125
1640 1 3 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.029 -1.164 25125
1641 1 3 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.685 -1.408 25125
1642 1 3 . 1 1 49 49 ASP N N 49 115.035 115.035 118.577 -3.542 25125
1643 1 3 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.651 -0.207 25125
1644 1 3 . 1 1 49 49 ASP C C 49 175.634 175.634 174.797 0.837 25125
1645 1 3 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.462 0.985 25125
1646 1 3 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.086 0.426 25125
1647 1 3 . 1 1 49 49 ASP H H 49 8.502 8.502 8.226 0.276 25125
1648 1 3 . 1 1 50 50 VAL N N 50 112.082 112.082 115.233 -3.151 25125
1649 1 3 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.640 -0.360 25125
1650 1 3 . 1 1 50 50 VAL C C 50 171.454 171.454 173.051 -1.597 25125
1651 1 3 . 1 1 50 50 VAL CA C 50 60.562 60.562 60.953 -0.391 25125
1652 1 3 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.841 0.795 25125
1653 1 3 . 1 1 50 50 VAL H H 50 7.173 7.173 7.118 0.055 25125
1654 1 3 . 1 1 51 51 LEU N N 51 128.247 128.247 124.811 3.436 25125
1655 1 3 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.227 0.092 25125
1656 1 3 . 1 1 51 51 LEU C C 51 173.104 173.104 174.525 -1.421 25125
1657 1 3 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.665 -0.447 25125
1658 1 3 . 1 1 51 51 LEU CB C 51 46.506 46.506 47.158 -0.652 25125
1659 1 3 . 1 1 51 51 LEU H H 51 8.059 8.059 8.095 -0.036 25125
1660 1 3 . 1 1 52 52 LEU N N 52 128.407 128.407 122.609 5.798 25125
1661 1 3 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.336 0.165 25125
1662 1 3 . 1 1 52 52 LEU C C 52 175.414 175.414 176.382 -0.968 25125
1663 1 3 . 1 1 52 52 LEU CA C 52 54.323 54.323 53.793 0.530 25125
1664 1 3 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.402 2.119 25125
1665 1 3 . 1 1 52 52 LEU H H 52 9.242 9.242 8.527 0.715 25125
1666 1 3 . 1 1 53 53 SER N N 53 114.946 114.946 118.769 -3.823 25125
1667 1 3 . 1 1 53 53 SER HA H 53 5.595 5.595 4.459 1.136 25125
1668 1 3 . 1 1 53 53 SER C C 53 174.644 174.644 173.609 1.035 25125
1669 1 3 . 1 1 53 53 SER CA C 53 55.954 55.954 58.273 -2.319 25125
1670 1 3 . 1 1 53 53 SER CB C 53 66.473 66.473 65.093 1.380 25125
1671 1 3 . 1 1 53 53 SER H H 53 8.695 8.695 8.141 0.554 25125
1672 1 3 . 1 1 54 54 ASP N N 54 128.341 128.341 125.501 2.840 25125
1673 1 3 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.875 0.450 25125
1674 1 3 . 1 1 54 54 ASP C C 54 176.816 176.816 176.394 0.422 25125
1675 1 3 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.869 0.624 25125
1676 1 3 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.578 -0.249 25125
1677 1 3 . 1 1 54 54 ASP H H 54 7.886 7.886 8.085 -0.199 25125
1678 1 3 . 1 1 55 55 ILE N N 55 121.229 121.229 117.779 3.450 25125
1679 1 3 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.772 0.413 25125
1680 1 3 . 1 1 55 55 ILE C C 55 175.084 175.084 174.508 0.576 25125
1681 1 3 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.113 -0.571 25125
1682 1 3 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.135 2.894 25125
1683 1 3 . 1 1 55 55 ILE H H 55 8.722 8.722 7.857 0.865 25125
1684 1 3 . 1 1 56 56 ARG N N 56 124.188 124.188 121.916 2.272 25125
1685 1 3 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.368 0.137 25125
1686 1 3 . 1 1 56 56 ARG C C 56 175.661 175.661 175.894 -0.233 25125
1687 1 3 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.225 -0.784 25125
1688 1 3 . 1 1 56 56 ARG CB C 56 30.362 30.362 32.943 -2.581 25125
1689 1 3 . 1 1 56 56 ARG H H 56 8.499 8.499 8.540 -0.041 25125
1690 1 3 . 1 1 57 57 MET N N 57 122.581 122.581 118.632 3.949 25125
1691 1 3 . 1 1 57 57 MET HA H 57 4.821 4.821 4.492 0.329 25125
1692 1 3 . 1 1 57 57 MET CA C 57 53.132 53.132 55.122 -1.990 25125
1693 1 3 . 1 1 57 57 MET CB C 57 33.445 33.445 31.998 1.447 25125
1694 1 3 . 1 1 57 57 MET H H 57 7.956 7.956 8.013 -0.057 25125
1695 1 3 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.423 -0.030 25125
1696 1 3 . 1 1 58 58 PRO C C 58 177.806 177.806 178.318 -0.512 25125
1697 1 3 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.541 -1.042 25125
1698 1 3 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.939 -0.132 25125
1699 1 3 . 1 1 59 59 GLY N N 59 111.082 111.082 108.259 2.823 25125
1700 1 3 . 1 1 59 59 GLY C C 59 173.626 173.626 174.523 -0.897 25125
1701 1 3 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.310 0.280 25125
1702 1 3 . 1 1 59 59 GLY H H 59 8.653 8.653 8.318 0.335 25125
1703 1 3 . 1 1 60 60 MET N N 60 120.052 120.052 120.250 -0.198 25125
1704 1 3 . 1 1 60 60 MET HA H 60 4.525 4.525 4.452 0.073 25125
1705 1 3 . 1 1 60 60 MET C C 60 173.956 173.956 176.083 -2.127 25125
1706 1 3 . 1 1 60 60 MET CA C 60 55.047 55.047 55.136 -0.089 25125
1707 1 3 . 1 1 60 60 MET CB C 60 34.506 34.506 33.114 1.392 25125
1708 1 3 . 1 1 60 60 MET H H 60 7.968 7.968 8.075 -0.107 25125
1709 1 3 . 1 1 61 61 ASP N N 61 121.306 121.306 121.775 -0.469 25125
1710 1 3 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.561 0.143 25125
1711 1 3 . 1 1 61 61 ASP C C 61 176.761 176.761 177.331 -0.570 25125
1712 1 3 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.069 -1.340 25125
1713 1 3 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.689 -0.620 25125
1714 1 3 . 1 1 61 61 ASP H H 61 8.379 8.379 8.622 -0.243 25125
1715 1 3 . 1 1 62 62 GLY N N 62 110.874 110.874 107.193 3.681 25125
1716 1 3 . 1 1 62 62 GLY C C 62 175.194 175.194 175.455 -0.261 25125
1717 1 3 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.853 1.248 25125
1718 1 3 . 1 1 62 62 GLY H H 62 8.707 8.707 8.117 0.590 25125
1719 1 3 . 1 1 63 63 LEU N N 63 121.299 121.299 121.863 -0.564 25125
1720 1 3 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.641 -0.464 25125
1721 1 3 . 1 1 63 63 LEU C C 63 178.356 178.356 178.098 0.258 25125
1722 1 3 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.649 1.229 25125
1723 1 3 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.565 0.673 25125
1724 1 3 . 1 1 63 63 LEU H H 63 8.045 8.045 7.871 0.174 25125
1725 1 3 . 1 1 64 64 ALA N N 64 122.741 122.741 122.856 -0.115 25125
1726 1 3 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.109 -0.047 25125
1727 1 3 . 1 1 64 64 ALA C C 64 180.556 180.556 179.340 1.216 25125
1728 1 3 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.114 -0.499 25125
1729 1 3 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.778 0.222 25125
1730 1 3 . 1 1 64 64 ALA H H 64 7.859 7.859 8.251 -0.392 25125
1731 1 3 . 1 1 65 65 LEU N N 65 120.287 120.287 115.012 5.275 25125
1732 1 3 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.421 -0.359 25125
1733 1 3 . 1 1 65 65 LEU C C 65 178.191 178.191 178.462 -0.271 25125
1734 1 3 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.816 1.203 25125
1735 1 3 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.179 -0.941 25125
1736 1 3 . 1 1 65 65 LEU H H 65 8.022 8.022 7.647 0.375 25125
1737 1 3 . 1 1 66 66 LEU N N 66 118.738 118.738 120.737 -1.999 25125
1738 1 3 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.188 -0.330 25125
1739 1 3 . 1 1 66 66 LEU C C 66 178.631 178.631 178.873 -0.242 25125
1740 1 3 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.482 1.864 25125
1741 1 3 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.779 0.459 25125
1742 1 3 . 1 1 66 66 LEU H H 66 8.101 8.101 7.716 0.385 25125
1743 1 3 . 1 1 67 67 LYS N N 67 117.842 117.842 117.791 0.051 25125
1744 1 3 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.116 -0.134 25125
1745 1 3 . 1 1 67 67 LYS C C 67 179.263 179.263 178.851 0.412 25125
1746 1 3 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.219 0.578 25125
1747 1 3 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.260 -0.053 25125
1748 1 3 . 1 1 67 67 LYS H H 67 8.010 8.010 8.374 -0.364 25125
1749 1 3 . 1 1 68 68 GLN N N 68 118.875 118.875 118.299 0.576 25125
1750 1 3 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.264 -0.208 25125
1751 1 3 . 1 1 68 68 GLN C C 68 179.071 179.071 177.473 1.598 25125
1752 1 3 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.281 0.792 25125
1753 1 3 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.609 0.002 25125
1754 1 3 . 1 1 68 68 GLN H H 68 7.809 7.809 7.514 0.295 25125
1755 1 3 . 1 1 69 69 ILE N N 69 120.377 120.377 121.867 -1.490 25125
1756 1 3 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.969 -0.439 25125
1757 1 3 . 1 1 69 69 ILE C C 69 177.421 177.421 178.326 -0.905 25125
1758 1 3 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.825 1.053 25125
1759 1 3 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.746 -0.162 25125
1760 1 3 . 1 1 69 69 ILE H H 69 8.481 8.481 7.667 0.814 25125
1761 1 3 . 1 1 70 70 LYS N N 70 117.873 117.873 118.811 -0.938 25125
1762 1 3 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.103 -0.143 25125
1763 1 3 . 1 1 70 70 LYS C C 70 178.053 178.053 178.327 -0.274 25125
1764 1 3 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.955 -1.867 25125
1765 1 3 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.028 -0.816 25125
1766 1 3 . 1 1 70 70 LYS H H 70 8.220 8.220 7.708 0.512 25125
1767 1 3 . 1 1 71 71 GLN N N 71 116.315 116.315 118.669 -2.354 25125
1768 1 3 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.096 -0.104 25125
1769 1 3 . 1 1 71 71 GLN C C 71 177.366 177.366 177.783 -0.417 25125
1770 1 3 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.319 -0.129 25125
1771 1 3 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.911 -0.246 25125
1772 1 3 . 1 1 71 71 GLN H H 71 7.601 7.601 7.669 -0.068 25125
1773 1 3 . 1 1 72 72 ARG N N 72 116.530 116.530 117.089 -0.559 25125
1774 1 3 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.000 0.030 25125
1775 1 3 . 1 1 72 72 ARG C C 72 175.826 175.826 176.198 -0.372 25125
1776 1 3 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.015 0.207 25125
1777 1 3 . 1 1 72 72 ARG CB C 72 31.802 31.802 30.975 0.827 25125
1778 1 3 . 1 1 72 72 ARG H H 72 7.301 7.301 8.001 -0.700 25125
1779 1 3 . 1 1 73 73 HIS N N 73 116.755 116.755 116.537 0.218 25125
1780 1 3 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.864 0.096 25125
1781 1 3 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.160 0.058 25125
1782 1 3 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.295 0.267 25125
1783 1 3 . 1 1 73 73 HIS H H 73 8.331 8.331 7.643 0.688 25125
1784 1 3 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.447 0.052 25125
1785 1 3 . 1 1 74 74 PRO C C 74 178.466 178.466 178.043 0.423 25125
1786 1 3 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.044 0.068 25125
1787 1 3 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.277 -0.182 25125
1788 1 3 . 1 1 75 75 MET N N 75 114.814 114.814 114.299 0.515 25125
1789 1 3 . 1 1 75 75 MET HA H 75 4.567 4.567 4.601 -0.034 25125
1790 1 3 . 1 1 75 75 MET C C 75 176.046 176.046 175.728 0.318 25125
1791 1 3 . 1 1 75 75 MET CA C 75 54.266 54.266 55.457 -1.191 25125
1792 1 3 . 1 1 75 75 MET CB C 75 31.288 31.288 32.237 -0.949 25125
1793 1 3 . 1 1 75 75 MET H H 75 8.623 8.623 7.726 0.897 25125
1794 1 3 . 1 1 76 76 LEU N N 76 125.533 125.533 123.774 1.759 25125
1795 1 3 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.776 -0.471 25125
1796 1 3 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.004 2.108 25125
1797 1 3 . 1 1 76 76 LEU CB C 76 43.685 43.685 44.017 -0.331 25125
1798 1 3 . 1 1 76 76 LEU H H 76 7.337 7.337 7.233 0.104 25125
1799 1 3 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.537 -0.091 25125
1800 1 3 . 1 1 77 77 PRO C C 77 174.974 174.974 175.686 -0.712 25125
1801 1 3 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.694 0.133 25125
1802 1 3 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.033 -0.311 25125
1803 1 3 . 1 1 78 78 VAL N N 78 123.779 123.779 122.367 1.412 25125
1804 1 3 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.577 0.447 25125
1805 1 3 . 1 1 78 78 VAL C C 78 175.441 175.441 175.262 0.179 25125
1806 1 3 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.610 -0.417 25125
1807 1 3 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.416 -1.122 25125
1808 1 3 . 1 1 78 78 VAL H H 78 8.317 8.317 8.089 0.228 25125
1809 1 3 . 1 1 79 79 ILE N N 79 128.334 128.334 120.323 8.011 25125
1810 1 3 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.830 -0.349 25125
1811 1 3 . 1 1 79 79 ILE C C 79 174.479 174.479 174.595 -0.116 25125
1812 1 3 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.056 -0.534 25125
1813 1 3 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.231 -2.268 25125
1814 1 3 . 1 1 79 79 ILE H H 79 9.292 9.292 8.815 0.477 25125
1815 1 3 . 1 1 80 80 ILE N N 80 127.023 127.023 125.361 1.662 25125
1816 1 3 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.299 0.560 25125
1817 1 3 . 1 1 80 80 ILE C C 80 175.029 175.029 175.284 -0.255 25125
1818 1 3 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.760 -1.603 25125
1819 1 3 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.356 -1.412 25125
1820 1 3 . 1 1 80 80 ILE H H 80 7.938 7.938 8.853 -0.915 25125
1821 1 3 . 1 1 81 81 MET N N 81 127.255 127.255 124.672 2.583 25125
1822 1 3 . 1 1 81 81 MET HA H 81 5.521 5.521 5.403 0.118 25125
1823 1 3 . 1 1 81 81 MET C C 81 174.534 174.534 175.884 -1.350 25125
1824 1 3 . 1 1 81 81 MET CA C 81 53.513 53.513 54.967 -1.454 25125
1825 1 3 . 1 1 81 81 MET CB C 81 35.483 35.483 35.777 -0.294 25125
1826 1 3 . 1 1 81 81 MET H H 81 8.801 8.801 8.780 0.021 25125
1827 1 3 . 1 1 82 82 THR N N 82 112.857 112.857 117.225 -4.368 25125
1828 1 3 . 1 1 82 82 THR HA H 82 4.914 4.914 4.433 0.481 25125
1829 1 3 . 1 1 82 82 THR C C 82 172.581 172.581 174.393 -1.812 25125
1830 1 3 . 1 1 82 82 THR CA C 82 59.561 59.561 64.527 -4.966 25125
1831 1 3 . 1 1 82 82 THR CB C 82 69.989 69.989 69.584 0.405 25125
1832 1 3 . 1 1 82 82 THR H H 82 7.623 7.623 8.480 -0.857 25125
1833 1 3 . 1 1 83 83 ALA N N 83 129.541 129.541 123.658 5.883 25125
1834 1 3 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.942 0.766 25125
1835 1 3 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.179 -1.641 25125
1836 1 3 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.901 2.246 25125
1837 1 3 . 1 1 83 83 ALA H H 83 9.149 9.149 8.260 0.889 25125
1838 1 3 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.475 -0.203 25125
1839 1 3 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.223 4.477 25125
1840 1 3 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.390 0.628 25125
1841 1 3 . 1 1 85 85 SER N N 85 112.633 112.633 114.166 -1.533 25125
1842 1 3 . 1 1 85 85 SER HA H 85 4.198 4.198 4.061 0.137 25125
1843 1 3 . 1 1 85 85 SER C C 85 174.506 174.506 173.434 1.072 25125
1844 1 3 . 1 1 85 85 SER CA C 85 59.823 59.823 60.319 -0.496 25125
1845 1 3 . 1 1 85 85 SER CB C 85 62.693 62.693 62.362 0.331 25125
1846 1 3 . 1 1 85 85 SER H H 85 8.224 8.224 8.604 -0.380 25125
1847 1 3 . 1 1 86 86 ASP N N 86 120.886 120.886 123.885 -2.999 25125
1848 1 3 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.399 0.537 25125
1849 1 3 . 1 1 86 86 ASP C C 86 175.881 175.881 176.541 -0.660 25125
1850 1 3 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.763 -1.829 25125
1851 1 3 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.995 1.008 25125
1852 1 3 . 1 1 86 86 ASP H H 86 7.608 7.608 8.088 -0.480 25125
1853 1 3 . 1 1 87 87 LEU N N 87 121.913 121.913 121.713 0.200 25125
1854 1 3 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.781 0.138 25125
1855 1 3 . 1 1 87 87 LEU C C 87 177.586 177.586 177.774 -0.188 25125
1856 1 3 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.298 -0.461 25125
1857 1 3 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.674 0.641 25125
1858 1 3 . 1 1 87 87 LEU H H 87 7.498 7.498 7.508 -0.010 25125
1859 1 3 . 1 1 88 88 ASP N N 88 117.621 117.621 117.788 -0.167 25125
1860 1 3 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.222 0.050 25125
1861 1 3 . 1 1 88 88 ASP C C 88 178.246 178.246 177.615 0.631 25125
1862 1 3 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.332 -0.522 25125
1863 1 3 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.514 -0.380 25125
1864 1 3 . 1 1 88 88 ASP H H 88 8.322 8.322 8.789 -0.467 25125
1865 1 3 . 1 1 89 89 ALA N N 89 122.874 122.874 120.552 2.322 25125
1866 1 3 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.344 -0.250 25125
1867 1 3 . 1 1 89 89 ALA C C 89 179.346 179.346 179.165 0.181 25125
1868 1 3 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.265 -0.112 25125
1869 1 3 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.656 -0.395 25125
1870 1 3 . 1 1 89 89 ALA H H 89 7.838 7.838 7.125 0.713 25125
1871 1 3 . 1 1 90 90 ALA N N 90 121.673 121.673 121.495 0.178 25125
1872 1 3 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.109 -0.176 25125
1873 1 3 . 1 1 90 90 ALA C C 90 178.686 178.686 179.990 -1.304 25125
1874 1 3 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.441 0.222 25125
1875 1 3 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.478 -0.096 25125
1876 1 3 . 1 1 90 90 ALA H H 90 7.896 7.896 7.574 0.322 25125
1877 1 3 . 1 1 91 91 VAL N N 91 117.749 117.749 119.502 -1.753 25125
1878 1 3 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.972 -0.360 25125
1879 1 3 . 1 1 91 91 VAL C C 91 178.411 178.411 177.349 1.062 25125
1880 1 3 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.088 -0.907 25125
1881 1 3 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.758 -0.121 25125
1882 1 3 . 1 1 91 91 VAL H H 91 8.098 8.098 8.696 -0.598 25125
1883 1 3 . 1 1 92 92 SER N N 92 114.942 114.942 113.331 1.611 25125
1884 1 3 . 1 1 92 92 SER HA H 92 4.231 4.231 4.450 -0.219 25125
1885 1 3 . 1 1 92 92 SER C C 92 175.826 175.826 175.318 0.508 25125
1886 1 3 . 1 1 92 92 SER CA C 92 60.649 60.649 59.944 0.705 25125
1887 1 3 . 1 1 92 92 SER CB C 92 63.063 63.063 63.788 -0.726 25125
1888 1 3 . 1 1 92 92 SER H H 92 7.825 7.825 7.815 0.010 25125
1889 1 3 . 1 1 93 93 ALA N N 93 122.580 122.580 124.566 -1.986 25125
1890 1 3 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.183 -0.126 25125
1891 1 3 . 1 1 93 93 ALA C C 93 178.906 178.906 179.293 -0.387 25125
1892 1 3 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.571 -0.254 25125
1893 1 3 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.343 -0.045 25125
1894 1 3 . 1 1 93 93 ALA H H 93 7.861 7.861 7.965 -0.104 25125
1895 1 3 . 1 1 94 94 TYR N N 94 118.447 118.447 120.686 -2.239 25125
1896 1 3 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.348 0.144 25125
1897 1 3 . 1 1 94 94 TYR C C 94 177.393 177.393 177.571 -0.178 25125
1898 1 3 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.767 -0.516 25125
1899 1 3 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.199 0.235 25125
1900 1 3 . 1 1 94 94 TYR H H 94 8.150 8.150 7.976 0.174 25125
1901 1 3 . 1 1 95 95 GLN N N 95 119.787 119.787 115.719 4.068 25125
1902 1 3 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.031 0.012 25125
1903 1 3 . 1 1 95 95 GLN C C 95 176.981 176.981 176.384 0.597 25125
1904 1 3 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.867 0.599 25125
1905 1 3 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.945 0.144 25125
1906 1 3 . 1 1 95 95 GLN H H 95 8.271 8.271 8.101 0.170 25125
1907 1 3 . 1 1 96 96 GLN N N 96 117.878 117.878 117.232 0.646 25125
1908 1 3 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.219 0.126 25125
1909 1 3 . 1 1 96 96 GLN C C 96 175.854 175.854 176.305 -0.451 25125
1910 1 3 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.194 -0.023 25125
1911 1 3 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.242 0.233 25125
1912 1 3 . 1 1 96 96 GLN H H 96 7.944 7.944 7.675 0.269 25125
1913 1 3 . 1 1 97 97 GLY N N 97 106.670 106.670 106.008 0.662 25125
1914 1 3 . 1 1 97 97 GLY C C 97 174.231 174.231 173.048 1.183 25125
1915 1 3 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.737 0.749 25125
1916 1 3 . 1 1 97 97 GLY H H 97 7.949 7.949 7.866 0.083 25125
1917 1 3 . 1 1 98 98 ALA N N 98 122.898 122.898 121.214 1.684 25125
1918 1 3 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.458 -0.083 25125
1919 1 3 . 1 1 98 98 ALA C C 98 175.991 175.991 175.589 0.402 25125
1920 1 3 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.042 2.126 25125
1921 1 3 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.157 -1.188 25125
1922 1 3 . 1 1 98 98 ALA H H 98 7.808 7.808 7.152 0.656 25125
1923 1 3 . 1 1 99 99 PHE N N 99 123.484 123.484 120.239 3.245 25125
1924 1 3 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.386 -0.036 25125
1925 1 3 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.730 1.726 25125
1926 1 3 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.024 -0.584 25125
1927 1 3 . 1 1 99 99 PHE H H 99 7.704 7.704 8.331 -0.627 25125
1928 1 3 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.879 0.625 25125
1929 1 3 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.681 -2.199 25125
1930 1 3 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.338 3.862 25125
1931 1 3 . 1 1 101 101 TYR N N 101 118.148 118.148 119.235 -1.087 25125
1932 1 3 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.505 0.943 25125
1933 1 3 . 1 1 101 101 TYR C C 101 173.159 173.159 174.495 -1.336 25125
1934 1 3 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.580 -0.593 25125
1935 1 3 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.118 2.780 25125
1936 1 3 . 1 1 101 101 TYR H H 101 9.546 9.546 7.394 2.152 25125
1937 1 3 . 1 1 102 102 LEU N N 102 124.100 124.100 120.721 3.379 25125
1938 1 3 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.064 -0.344 25125
1939 1 3 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.398 -0.898 25125
1940 1 3 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.715 -0.654 25125
1941 1 3 . 1 1 102 102 LEU H H 102 8.901 8.901 8.854 0.047 25125
1942 1 3 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.548 0.344 25125
1943 1 3 . 1 1 103 103 PRO C C 103 175.524 175.524 175.498 0.026 25125
1944 1 3 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.539 -0.654 25125
1945 1 3 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.329 -0.522 25125
1946 1 3 . 1 1 104 104 LYS N N 104 118.848 118.848 120.216 -1.368 25125
1947 1 3 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.975 -0.462 25125
1948 1 3 . 1 1 104 104 LYS CA C 104 53.218 53.218 52.846 0.372 25125
1949 1 3 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.742 2.002 25125
1950 1 3 . 1 1 104 104 LYS H H 104 8.279 8.279 8.144 0.135 25125
1951 1 3 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.323 -0.024 25125
1952 1 3 . 1 1 105 105 PRO C C 105 175.001 175.001 175.577 -0.576 25125
1953 1 3 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.875 -0.481 25125
1954 1 3 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.079 2.016 25125
1955 1 3 . 1 1 106 106 PHE N N 106 116.607 116.607 115.847 0.760 25125
1956 1 3 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.728 0.442 25125
1957 1 3 . 1 1 106 106 PHE C C 106 175.221 175.221 174.202 1.019 25125
1958 1 3 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.157 -2.721 25125
1959 1 3 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.210 0.190 25125
1960 1 3 . 1 1 106 106 PHE H H 106 7.457 7.457 7.618 -0.161 25125
1961 1 3 . 1 1 107 107 ASP N N 107 122.214 122.214 121.987 0.227 25125
1962 1 3 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.077 -0.245 25125
1963 1 3 . 1 1 107 107 ASP C C 107 177.778 177.778 177.191 0.587 25125
1964 1 3 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.562 -0.320 25125
1965 1 3 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.571 1.026 25125
1966 1 3 . 1 1 107 107 ASP H H 107 9.022 9.022 8.511 0.511 25125
1967 1 3 . 1 1 108 108 ILE N N 108 127.706 127.706 124.860 2.846 25125
1968 1 3 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.728 0.237 25125
1969 1 3 . 1 1 108 108 ILE C C 108 176.046 176.046 177.496 -1.450 25125
1970 1 3 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.615 -1.626 25125
1971 1 3 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.067 -0.313 25125
1972 1 3 . 1 1 108 108 ILE H H 108 8.860 8.860 8.864 -0.004 25125
1973 1 3 . 1 1 109 109 ASP N N 109 120.058 120.058 119.174 0.884 25125
1974 1 3 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.380 0.008 25125
1975 1 3 . 1 1 109 109 ASP C C 109 179.786 179.786 178.704 1.082 25125
1976 1 3 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.561 -0.067 25125
1977 1 3 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.497 -0.443 25125
1978 1 3 . 1 1 109 109 ASP H H 109 8.079 8.079 8.598 -0.519 25125
1979 1 3 . 1 1 110 110 GLU N N 110 121.559 121.559 119.445 2.114 25125
1980 1 3 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.177 -0.109 25125
1981 1 3 . 1 1 110 110 GLU C C 110 179.043 179.043 178.390 0.653 25125
1982 1 3 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.382 0.444 25125
1983 1 3 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.859 -0.516 25125
1984 1 3 . 1 1 110 110 GLU H H 110 8.012 8.012 7.998 0.014 25125
1985 1 3 . 1 1 111 111 ALA N N 111 122.267 122.267 123.630 -1.363 25125
1986 1 3 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.923 -0.169 25125
1987 1 3 . 1 1 111 111 ALA C C 111 178.493 178.493 179.435 -0.942 25125
1988 1 3 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.258 -0.086 25125
1989 1 3 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.087 0.295 25125
1990 1 3 . 1 1 111 111 ALA H H 111 7.897 7.897 8.285 -0.388 25125
1991 1 3 . 1 1 112 112 VAL N N 112 116.527 116.527 117.870 -1.343 25125
1992 1 3 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.623 -0.456 25125
1993 1 3 . 1 1 112 112 VAL C C 112 177.201 177.201 178.176 -0.975 25125
1994 1 3 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.567 0.578 25125
1995 1 3 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.092 0.460 25125
1996 1 3 . 1 1 112 112 VAL H H 112 8.018 8.018 8.327 -0.309 25125
1997 1 3 . 1 1 113 113 ALA N N 113 119.895 119.895 121.525 -1.630 25125
1998 1 3 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.167 -0.029 25125
1999 1 3 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.557 0.275 25125
2000 1 3 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.526 -0.654 25125
2001 1 3 . 1 1 113 113 ALA H H 113 7.673 7.673 7.368 0.305 25125
2002 1 3 . 1 1 114 114 LEU N N 114 120.650 120.650 120.554 0.096 25125
2003 1 3 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.062 0.021 25125
2004 1 3 . 1 1 114 114 LEU C C 114 178.466 178.466 178.544 -0.078 25125
2005 1 3 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.732 0.288 25125
2006 1 3 . 1 1 114 114 LEU CB C 114 41.833 41.833 41.965 -0.132 25125
2007 1 3 . 1 1 114 114 LEU H H 114 7.840 7.840 7.720 0.120 25125
2008 1 3 . 1 1 115 115 VAL N N 115 119.480 119.480 118.237 1.243 25125
2009 1 3 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.494 -0.282 25125
2010 1 3 . 1 1 115 115 VAL C C 115 177.448 177.448 177.052 0.396 25125
2011 1 3 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.100 1.101 25125
2012 1 3 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.686 -1.014 25125
2013 1 3 . 1 1 115 115 VAL H H 115 7.824 7.824 7.842 -0.018 25125
2014 1 3 . 1 1 116 116 GLU N N 116 117.473 117.473 118.342 -0.869 25125
2015 1 3 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.876 -0.087 25125
2016 1 3 . 1 1 116 116 GLU C C 116 179.566 179.566 178.642 0.924 25125
2017 1 3 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.769 0.161 25125
2018 1 3 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.323 -0.227 25125
2019 1 3 . 1 1 116 116 GLU H H 116 8.465 8.465 7.661 0.804 25125
2020 1 3 . 1 1 117 117 ARG N N 117 120.128 120.128 117.993 2.135 25125
2021 1 3 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.051 0.013 25125
2022 1 3 . 1 1 117 117 ARG C C 117 178.438 178.438 178.280 0.158 25125
2023 1 3 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.661 0.617 25125
2024 1 3 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.897 0.380 25125
2025 1 3 . 1 1 117 117 ARG H H 117 8.012 8.012 7.494 0.518 25125
2026 1 3 . 1 1 118 118 ALA N N 118 122.270 122.270 120.974 1.296 25125
2027 1 3 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.850 -0.394 25125
2028 1 3 . 1 1 118 118 ALA C C 118 178.741 178.741 178.600 0.141 25125
2029 1 3 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.089 0.489 25125
2030 1 3 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.262 -0.104 25125
2031 1 3 . 1 1 118 118 ALA H H 118 7.958 7.958 7.194 0.764 25125
2032 1 3 . 1 1 119 119 ILE N N 119 115.269 115.269 117.388 -2.119 25125
2033 1 3 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.350 0.378 25125
2034 1 3 . 1 1 119 119 ILE C C 119 177.366 177.366 177.918 -0.552 25125
2035 1 3 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.540 -0.871 25125
2036 1 3 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.150 -0.352 25125
2037 1 3 . 1 1 119 119 ILE H H 119 7.753 7.753 7.639 0.114 25125
2038 1 3 . 1 1 120 120 SER N N 120 115.135 115.135 114.641 0.494 25125
2039 1 3 . 1 1 120 120 SER HA H 120 4.275 4.275 4.112 0.163 25125
2040 1 3 . 1 1 120 120 SER C C 120 175.084 175.084 176.552 -1.468 25125
2041 1 3 . 1 1 120 120 SER CA C 120 59.816 59.816 61.222 -1.406 25125
2042 1 3 . 1 1 120 120 SER CB C 120 63.380 63.380 62.779 0.601 25125
2043 1 3 . 1 1 120 120 SER H H 120 7.816 7.816 8.395 -0.579 25125
2044 1 3 . 1 1 121 121 HIS N N 121 119.908 119.908 121.079 -1.171 25125
2045 1 3 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.222 0.200 25125
2046 1 3 . 1 1 121 121 HIS C C 121 175.029 175.029 175.175 -0.146 25125
2047 1 3 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.244 -1.008 25125
2048 1 3 . 1 1 121 121 HIS CB C 121 29.428 29.428 30.084 -0.656 25125
2049 1 3 . 1 1 121 121 HIS H H 121 7.910 7.910 7.304 0.606 25125
2050 1 3 . 1 1 122 122 TYR N N 122 118.880 118.880 114.007 4.873 25125
2051 1 3 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.887 -0.461 25125
2052 1 3 . 1 1 122 122 TYR C C 122 175.276 175.276 174.364 0.912 25125
2053 1 3 . 1 1 122 122 TYR CA C 122 58.449 58.449 56.655 1.794 25125
2054 1 3 . 1 1 122 122 TYR CB C 122 38.604 38.604 37.629 0.975 25125
2055 1 3 . 1 1 122 122 TYR H H 122 7.766 7.766 7.318 0.448 25125
2056 1 3 . 1 1 123 123 GLN N N 123 121.479 121.479 117.662 3.817 25125
2057 1 3 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.315 -0.045 25125
2058 1 3 . 1 1 123 123 GLN C C 123 174.534 174.534 175.536 -1.002 25125
2059 1 3 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.847 -0.335 25125
2060 1 3 . 1 1 123 123 GLN CB C 123 29.768 29.768 31.181 -1.413 25125
2061 1 3 . 1 1 123 123 GLN H H 123 7.878 7.878 7.923 -0.045 25125
2062 1 4 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.620 -0.187 25125
2063 1 4 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.481 0.083 25125
2064 1 4 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.181 2.419 25125
2065 1 4 . 1 1 3 3 ARG N N 3 121.252 121.252 120.141 1.111 25125
2066 1 4 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.158 0.207 25125
2067 1 4 . 1 1 3 3 ARG C C 3 175.634 175.634 176.078 -0.444 25125
2068 1 4 . 1 1 3 3 ARG CA C 3 55.991 55.991 57.092 -1.101 25125
2069 1 4 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.301 0.996 25125
2070 1 4 . 1 1 3 3 ARG H H 3 8.429 8.429 7.632 0.797 25125
2071 1 4 . 1 1 4 4 GLY N N 4 107.663 107.663 108.359 -0.696 25125
2072 1 4 . 1 1 4 4 GLY C C 4 171.041 171.041 173.123 -2.082 25125
2073 1 4 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.239 1.077 25125
2074 1 4 . 1 1 4 4 GLY H H 4 7.963 7.963 7.819 0.144 25125
2075 1 4 . 1 1 5 5 ILE N N 5 122.603 122.603 124.898 -2.295 25125
2076 1 4 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.025 0.674 25125
2077 1 4 . 1 1 5 5 ILE C C 5 175.359 175.359 175.100 0.259 25125
2078 1 4 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.552 -0.942 25125
2079 1 4 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.385 0.191 25125
2080 1 4 . 1 1 5 5 ILE H H 5 9.610 9.610 8.348 1.262 25125
2081 1 4 . 1 1 6 6 VAL N N 6 127.905 127.905 124.892 3.013 25125
2082 1 4 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.935 -0.123 25125
2083 1 4 . 1 1 6 6 VAL C C 6 174.204 174.204 175.398 -1.194 25125
2084 1 4 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.799 -1.240 25125
2085 1 4 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.765 0.761 25125
2086 1 4 . 1 1 6 6 VAL H H 6 9.090 9.090 7.893 1.197 25125
2087 1 4 . 1 1 7 7 TRP N N 7 127.467 127.467 128.380 -0.913 25125
2088 1 4 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.268 1.186 25125
2089 1 4 . 1 1 7 7 TRP C C 7 175.056 175.056 175.446 -0.390 25125
2090 1 4 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.458 -1.579 25125
2091 1 4 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.776 1.358 25125
2092 1 4 . 1 1 7 7 TRP H H 7 8.497 8.497 8.656 -0.159 25125
2093 1 4 . 1 1 8 8 VAL N N 8 122.068 122.068 118.046 4.022 25125
2094 1 4 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.484 0.602 25125
2095 1 4 . 1 1 8 8 VAL C C 8 173.874 173.874 173.864 0.010 25125
2096 1 4 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.586 -1.099 25125
2097 1 4 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.749 -0.034 25125
2098 1 4 . 1 1 8 8 VAL H H 8 8.583 8.583 9.381 -0.798 25125
2099 1 4 . 1 1 9 9 VAL N N 9 127.733 127.733 124.128 3.605 25125
2100 1 4 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.624 0.337 25125
2101 1 4 . 1 1 9 9 VAL C C 9 173.131 173.131 173.507 -0.376 25125
2102 1 4 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.766 -1.091 25125
2103 1 4 . 1 1 9 9 VAL CB C 9 32.911 32.911 35.370 -2.459 25125
2104 1 4 . 1 1 9 9 VAL H H 9 9.107 9.107 8.477 0.630 25125
2105 1 4 . 1 1 10 10 ASP N N 10 124.306 124.306 127.059 -2.753 25125
2106 1 4 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.059 -0.490 25125
2107 1 4 . 1 1 10 10 ASP C C 10 175.029 175.029 174.834 0.195 25125
2108 1 4 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.250 1.497 25125
2109 1 4 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.953 0.156 25125
2110 1 4 . 1 1 10 10 ASP H H 10 7.775 7.775 8.036 -0.261 25125
2111 1 4 . 1 1 11 11 ASP N N 11 126.714 126.714 117.341 9.373 25125
2112 1 4 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.894 -0.359 25125
2113 1 4 . 1 1 11 11 ASP C C 11 175.689 175.689 175.208 0.481 25125
2114 1 4 . 1 1 11 11 ASP CA C 11 55.718 55.718 52.992 2.726 25125
2115 1 4 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.281 -0.207 25125
2116 1 4 . 1 1 11 11 ASP H H 11 9.033 9.033 8.558 0.475 25125
2117 1 4 . 1 1 12 12 ASP N N 12 121.877 121.877 119.121 2.756 25125
2118 1 4 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.927 -0.281 25125
2119 1 4 . 1 1 12 12 ASP C C 12 177.036 177.036 176.586 0.450 25125
2120 1 4 . 1 1 12 12 ASP CA C 12 53.303 53.303 52.993 0.310 25125
2121 1 4 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.769 -2.605 25125
2122 1 4 . 1 1 12 12 ASP H H 12 9.570 9.570 8.463 1.107 25125
2123 1 4 . 1 1 13 13 SER N N 13 123.799 123.799 117.667 6.132 25125
2124 1 4 . 1 1 13 13 SER HA H 13 3.761 3.761 4.294 -0.533 25125
2125 1 4 . 1 1 13 13 SER C C 13 176.156 176.156 176.077 0.079 25125
2126 1 4 . 1 1 13 13 SER CA C 13 61.186 61.186 61.618 -0.432 25125
2127 1 4 . 1 1 13 13 SER CB C 13 62.749 62.749 63.545 -0.796 25125
2128 1 4 . 1 1 13 13 SER H H 13 8.850 8.850 8.819 0.031 25125
2129 1 4 . 1 1 14 14 SER N N 14 119.123 119.123 116.959 2.164 25125
2130 1 4 . 1 1 14 14 SER HA H 14 4.361 4.361 4.439 -0.078 25125
2131 1 4 . 1 1 14 14 SER C C 14 176.404 176.404 176.727 -0.323 25125
2132 1 4 . 1 1 14 14 SER CA C 14 61.730 61.730 61.047 0.683 25125
2133 1 4 . 1 1 14 14 SER CB C 14 62.548 62.548 62.876 -0.328 25125
2134 1 4 . 1 1 14 14 SER H H 14 8.531 8.531 8.542 -0.011 25125
2135 1 4 . 1 1 15 15 ILE N N 15 123.637 123.637 122.153 1.484 25125
2136 1 4 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.869 0.076 25125
2137 1 4 . 1 1 15 15 ILE C C 15 177.861 177.861 177.825 0.036 25125
2138 1 4 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.837 -2.637 25125
2139 1 4 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.985 -1.099 25125
2140 1 4 . 1 1 15 15 ILE H H 15 7.206 7.206 8.205 -0.999 25125
2141 1 4 . 1 1 16 16 ARG N N 16 116.694 116.694 118.420 -1.726 25125
2142 1 4 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.301 -0.578 25125
2143 1 4 . 1 1 16 16 ARG C C 16 177.448 177.448 178.108 -0.660 25125
2144 1 4 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.680 2.893 25125
2145 1 4 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.188 0.259 25125
2146 1 4 . 1 1 16 16 ARG H H 16 7.562 7.562 7.531 0.031 25125
2147 1 4 . 1 1 17 17 TRP N N 17 116.848 116.848 122.826 -5.978 25125
2148 1 4 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.406 0.065 25125
2149 1 4 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.693 -0.253 25125
2150 1 4 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.607 -0.315 25125
2151 1 4 . 1 1 17 17 TRP H H 17 8.005 8.005 7.738 0.267 25125
2152 1 4 . 1 1 18 18 VAL N N 18 116.964 116.964 119.499 -2.535 25125
2153 1 4 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.664 1.011 25125
2154 1 4 . 1 1 18 18 VAL C C 18 179.181 179.181 177.718 1.463 25125
2155 1 4 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.883 -0.175 25125
2156 1 4 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.441 0.196 25125
2157 1 4 . 1 1 18 18 VAL H H 18 8.110 8.110 8.673 -0.563 25125
2158 1 4 . 1 1 19 19 LEU N N 19 120.186 120.186 118.168 2.018 25125
2159 1 4 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.215 -0.140 25125
2160 1 4 . 1 1 19 19 LEU C C 19 177.778 177.778 178.984 -1.206 25125
2161 1 4 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.304 0.518 25125
2162 1 4 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.644 0.137 25125
2163 1 4 . 1 1 19 19 LEU H H 19 8.073 8.073 7.587 0.486 25125
2164 1 4 . 1 1 20 20 GLU N N 20 120.193 120.193 119.904 0.289 25125
2165 1 4 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.195 -0.254 25125
2166 1 4 . 1 1 20 20 GLU C C 20 178.603 178.603 178.771 -0.168 25125
2167 1 4 . 1 1 20 20 GLU CA C 20 60.610 60.610 58.968 1.642 25125
2168 1 4 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.905 -0.817 25125
2169 1 4 . 1 1 20 20 GLU H H 20 8.387 8.387 8.120 0.267 25125
2170 1 4 . 1 1 21 21 ARG N N 21 116.076 116.076 118.899 -2.823 25125
2171 1 4 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.951 -0.058 25125
2172 1 4 . 1 1 21 21 ARG C C 21 179.676 179.676 178.412 1.264 25125
2173 1 4 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.572 -0.123 25125
2174 1 4 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.230 0.623 25125
2175 1 4 . 1 1 21 21 ARG H H 21 7.602 7.602 7.804 -0.202 25125
2176 1 4 . 1 1 22 22 ALA N N 22 122.405 122.405 122.861 -0.456 25125
2177 1 4 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.066 0.031 25125
2178 1 4 . 1 1 22 22 ALA C C 22 180.501 180.501 179.092 1.409 25125
2179 1 4 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.611 -0.033 25125
2180 1 4 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.093 1.139 25125
2181 1 4 . 1 1 22 22 ALA H H 22 7.992 7.992 7.792 0.200 25125
2182 1 4 . 1 1 23 23 LEU N N 23 118.026 118.026 118.032 -0.006 25125
2183 1 4 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.354 -0.353 25125
2184 1 4 . 1 1 23 23 LEU C C 23 178.878 178.878 179.385 -0.507 25125
2185 1 4 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.127 1.594 25125
2186 1 4 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.014 -2.359 25125
2187 1 4 . 1 1 23 23 LEU H H 23 8.825 8.825 7.687 1.138 25125
2188 1 4 . 1 1 24 24 ALA N N 24 122.159 122.159 123.128 -0.969 25125
2189 1 4 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.074 0.559 25125
2190 1 4 . 1 1 24 24 ALA C C 24 183.141 183.141 178.888 4.253 25125
2191 1 4 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.606 0.141 25125
2192 1 4 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.387 -0.685 25125
2193 1 4 . 1 1 24 24 ALA H H 24 8.125 8.125 7.891 0.234 25125
2194 1 4 . 1 1 25 25 GLY N N 25 106.891 106.891 104.354 2.537 25125
2195 1 4 . 1 1 25 25 GLY C C 25 174.286 174.286 174.312 -0.026 25125
2196 1 4 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.091 1.330 25125
2197 1 4 . 1 1 25 25 GLY H H 25 7.870 7.870 7.822 0.048 25125
2198 1 4 . 1 1 26 26 ALA N N 26 121.819 121.819 123.685 -1.866 25125
2199 1 4 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.686 -0.187 25125
2200 1 4 . 1 1 26 26 ALA C C 26 176.953 176.953 177.479 -0.526 25125
2201 1 4 . 1 1 26 26 ALA CA C 26 51.519 51.519 52.506 -0.987 25125
2202 1 4 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.253 -1.531 25125
2203 1 4 . 1 1 26 26 ALA H H 26 7.285 7.285 7.829 -0.544 25125
2204 1 4 . 1 1 27 27 GLY N N 27 106.197 106.197 106.071 0.126 25125
2205 1 4 . 1 1 27 27 GLY C C 27 173.956 173.956 172.477 1.479 25125
2206 1 4 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.553 -0.237 25125
2207 1 4 . 1 1 27 27 GLY H H 27 7.824 7.824 7.838 -0.014 25125
2208 1 4 . 1 1 28 28 LEU N N 28 120.291 120.291 119.133 1.158 25125
2209 1 4 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.769 -0.194 25125
2210 1 4 . 1 1 28 28 LEU C C 28 175.881 175.881 176.461 -0.580 25125
2211 1 4 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.438 0.205 25125
2212 1 4 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.716 -2.231 25125
2213 1 4 . 1 1 28 28 LEU H H 28 7.678 7.678 7.329 0.349 25125
2214 1 4 . 1 1 29 29 THR N N 29 118.040 118.040 116.613 1.427 25125
2215 1 4 . 1 1 29 29 THR HA H 29 4.335 4.335 4.154 0.181 25125
2216 1 4 . 1 1 29 29 THR C C 29 173.186 173.186 174.149 -0.963 25125
2217 1 4 . 1 1 29 29 THR CA C 29 62.479 62.479 64.184 -1.705 25125
2218 1 4 . 1 1 29 29 THR CB C 29 69.465 69.465 69.516 -0.052 25125
2219 1 4 . 1 1 29 29 THR H H 29 8.527 8.527 8.500 0.027 25125
2220 1 4 . 1 1 30 30 CYS N N 30 128.387 128.387 123.201 5.186 25125
2221 1 4 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.319 0.624 25125
2222 1 4 . 1 1 30 30 CYS C C 30 173.846 173.846 174.003 -0.157 25125
2223 1 4 . 1 1 30 30 CYS CA C 30 56.362 56.362 58.202 -1.839 25125
2224 1 4 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.645 -0.165 25125
2225 1 4 . 1 1 30 30 CYS H H 30 8.968 8.968 8.623 0.345 25125
2226 1 4 . 1 1 31 31 THR N N 31 126.481 126.481 123.814 2.667 25125
2227 1 4 . 1 1 31 31 THR HA H 31 4.433 4.433 4.278 0.155 25125
2228 1 4 . 1 1 31 31 THR C C 31 172.609 172.609 173.329 -0.720 25125
2229 1 4 . 1 1 31 31 THR CA C 31 61.951 61.951 62.260 -0.309 25125
2230 1 4 . 1 1 31 31 THR CB C 31 70.567 70.567 69.167 1.400 25125
2231 1 4 . 1 1 31 31 THR H H 31 8.614 8.614 8.467 0.147 25125
2232 1 4 . 1 1 32 32 THR N N 32 116.418 116.418 118.161 -1.743 25125
2233 1 4 . 1 1 32 32 THR HA H 32 5.330 5.330 5.397 -0.067 25125
2234 1 4 . 1 1 32 32 THR C C 32 172.306 172.306 173.494 -1.188 25125
2235 1 4 . 1 1 32 32 THR CA C 32 59.173 59.173 60.139 -0.966 25125
2236 1 4 . 1 1 32 32 THR CB C 32 70.917 70.917 70.150 0.767 25125
2237 1 4 . 1 1 32 32 THR H H 32 8.299 8.299 8.135 0.164 25125
2238 1 4 . 1 1 33 33 PHE N N 33 118.067 118.067 124.807 -6.740 25125
2239 1 4 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.776 -0.133 25125
2240 1 4 . 1 1 33 33 PHE C C 33 174.341 174.341 175.175 -0.834 25125
2241 1 4 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.482 0.050 25125
2242 1 4 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.644 0.665 25125
2243 1 4 . 1 1 33 33 PHE H H 33 8.890 8.890 9.021 -0.131 25125
2244 1 4 . 1 1 34 34 GLU N N 34 118.499 118.499 118.045 0.454 25125
2245 1 4 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.854 -0.500 25125
2246 1 4 . 1 1 34 34 GLU C C 34 175.414 175.414 175.067 0.347 25125
2247 1 4 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.419 0.273 25125
2248 1 4 . 1 1 34 34 GLU CB C 34 31.467 31.467 28.926 2.541 25125
2249 1 4 . 1 1 34 34 GLU H H 34 9.023 9.023 8.821 0.202 25125
2250 1 4 . 1 1 35 35 ASN N N 35 109.907 109.907 118.217 -8.310 25125
2251 1 4 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.676 0.105 25125
2252 1 4 . 1 1 35 35 ASN C C 35 175.139 175.139 175.834 -0.695 25125
2253 1 4 . 1 1 35 35 ASN CA C 35 52.146 52.146 54.181 -2.035 25125
2254 1 4 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.867 1.456 25125
2255 1 4 . 1 1 35 35 ASN H H 35 7.401 7.401 8.238 -0.837 25125
2256 1 4 . 1 1 36 36 GLY N N 36 106.739 106.739 108.828 -2.089 25125
2257 1 4 . 1 1 36 36 GLY C C 36 174.616 174.616 175.574 -0.958 25125
2258 1 4 . 1 1 36 36 GLY CA C 36 47.016 47.016 45.955 1.061 25125
2259 1 4 . 1 1 36 36 GLY H H 36 8.877 8.877 8.442 0.435 25125
2260 1 4 . 1 1 37 37 ASN N N 37 120.462 120.462 120.363 0.099 25125
2261 1 4 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.561 -0.199 25125
2262 1 4 . 1 1 37 37 ASN C C 37 178.686 178.686 176.109 2.577 25125
2263 1 4 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.026 1.506 25125
2264 1 4 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.493 -0.909 25125
2265 1 4 . 1 1 37 37 ASN H H 37 8.366 8.366 8.090 0.276 25125
2266 1 4 . 1 1 38 38 GLU N N 38 119.360 119.360 117.893 1.467 25125
2267 1 4 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.137 -0.067 25125
2268 1 4 . 1 1 38 38 GLU C C 38 179.263 179.263 177.559 1.704 25125
2269 1 4 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.455 0.177 25125
2270 1 4 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.272 1.260 25125
2271 1 4 . 1 1 38 38 GLU H H 38 7.990 7.990 8.755 -0.765 25125
2272 1 4 . 1 1 39 39 VAL N N 39 119.259 119.259 118.374 0.885 25125
2273 1 4 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.058 -0.290 25125
2274 1 4 . 1 1 39 39 VAL C C 39 176.431 176.431 177.012 -0.581 25125
2275 1 4 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.969 -0.026 25125
2276 1 4 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.707 -0.632 25125
2277 1 4 . 1 1 39 39 VAL H H 39 6.883 6.883 7.155 -0.272 25125
2278 1 4 . 1 1 40 40 LEU N N 40 119.627 119.627 121.950 -2.323 25125
2279 1 4 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.968 -0.041 25125
2280 1 4 . 1 1 40 40 LEU C C 40 179.538 179.538 178.059 1.479 25125
2281 1 4 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.032 -0.092 25125
2282 1 4 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.374 -0.306 25125
2283 1 4 . 1 1 40 40 LEU H H 40 7.692 7.692 7.295 0.397 25125
2284 1 4 . 1 1 41 41 ALA N N 41 120.051 120.051 119.685 0.366 25125
2285 1 4 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.153 -0.013 25125
2286 1 4 . 1 1 41 41 ALA C C 41 180.528 180.528 179.647 0.881 25125
2287 1 4 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.432 0.218 25125
2288 1 4 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.980 -0.114 25125
2289 1 4 . 1 1 41 41 ALA H H 41 7.553 7.553 7.669 -0.116 25125
2290 1 4 . 1 1 42 42 ALA N N 42 122.731 122.731 122.617 0.114 25125
2291 1 4 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.155 0.044 25125
2292 1 4 . 1 1 42 42 ALA C C 42 180.198 180.198 180.155 0.043 25125
2293 1 4 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.600 0.432 25125
2294 1 4 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.983 1.416 25125
2295 1 4 . 1 1 42 42 ALA H H 42 7.604 7.604 7.288 0.316 25125
2296 1 4 . 1 1 43 43 LEU N N 43 119.131 119.131 118.544 0.587 25125
2297 1 4 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.007 1.199 25125
2298 1 4 . 1 1 43 43 LEU C C 43 177.421 177.421 178.929 -1.508 25125
2299 1 4 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.530 -1.985 25125
2300 1 4 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.048 1.556 25125
2301 1 4 . 1 1 43 43 LEU H H 43 8.288 8.288 8.029 0.259 25125
2302 1 4 . 1 1 44 44 ALA N N 44 119.065 119.065 118.477 0.588 25125
2303 1 4 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.185 0.044 25125
2304 1 4 . 1 1 44 44 ALA C C 44 178.686 178.686 178.627 0.059 25125
2305 1 4 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.867 0.371 25125
2306 1 4 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.405 0.111 25125
2307 1 4 . 1 1 44 44 ALA H H 44 7.302 7.302 7.712 -0.410 25125
2308 1 4 . 1 1 45 45 SER N N 45 108.656 108.656 114.963 -6.307 25125
2309 1 4 . 1 1 45 45 SER HA H 45 4.742 4.742 4.383 0.359 25125
2310 1 4 . 1 1 45 45 SER C C 45 173.296 173.296 176.239 -2.943 25125
2311 1 4 . 1 1 45 45 SER CA C 45 58.656 58.656 60.728 -2.072 25125
2312 1 4 . 1 1 45 45 SER CB C 45 65.407 65.407 64.053 1.354 25125
2313 1 4 . 1 1 45 45 SER H H 45 7.728 7.728 8.102 -0.374 25125
2314 1 4 . 1 1 46 46 LYS N N 46 123.016 123.016 116.868 6.148 25125
2315 1 4 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.589 -0.003 25125
2316 1 4 . 1 1 46 46 LYS C C 46 172.719 172.719 175.668 -2.949 25125
2317 1 4 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.253 -0.741 25125
2318 1 4 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.689 1.536 25125
2319 1 4 . 1 1 46 46 LYS H H 46 8.101 8.101 7.833 0.268 25125
2320 1 4 . 1 1 47 47 THR N N 47 111.780 111.780 114.511 -2.731 25125
2321 1 4 . 1 1 47 47 THR HA H 47 4.282 4.282 3.996 0.286 25125
2322 1 4 . 1 1 47 47 THR CA C 47 57.806 57.806 61.762 -3.956 25125
2323 1 4 . 1 1 47 47 THR CB C 47 70.594 70.594 67.793 2.801 25125
2324 1 4 . 1 1 47 47 THR H H 47 7.677 7.677 7.781 -0.104 25125
2325 1 4 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.886 0.019 25125
2326 1 4 . 1 1 48 48 PRO C C 48 172.966 172.966 175.147 -2.181 25125
2327 1 4 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.210 -1.345 25125
2328 1 4 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.565 -1.288 25125
2329 1 4 . 1 1 49 49 ASP N N 49 115.035 115.035 118.016 -2.981 25125
2330 1 4 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.767 -0.323 25125
2331 1 4 . 1 1 49 49 ASP C C 49 175.634 175.634 175.320 0.314 25125
2332 1 4 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.194 2.253 25125
2333 1 4 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.406 -0.894 25125
2334 1 4 . 1 1 49 49 ASP H H 49 8.502 8.502 7.843 0.659 25125
2335 1 4 . 1 1 50 50 VAL N N 50 112.082 112.082 116.184 -4.102 25125
2336 1 4 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.490 -0.210 25125
2337 1 4 . 1 1 50 50 VAL C C 50 171.454 171.454 172.721 -1.267 25125
2338 1 4 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.918 -1.356 25125
2339 1 4 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.630 0.006 25125
2340 1 4 . 1 1 50 50 VAL H H 50 7.173 7.173 7.071 0.102 25125
2341 1 4 . 1 1 51 51 LEU N N 51 128.247 128.247 126.747 1.500 25125
2342 1 4 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.515 -0.196 25125
2343 1 4 . 1 1 51 51 LEU C C 51 173.104 173.104 174.956 -1.852 25125
2344 1 4 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.129 0.089 25125
2345 1 4 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.588 -0.082 25125
2346 1 4 . 1 1 51 51 LEU H H 51 8.059 8.059 7.953 0.106 25125
2347 1 4 . 1 1 52 52 LEU N N 52 128.407 128.407 122.676 5.731 25125
2348 1 4 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.926 0.575 25125
2349 1 4 . 1 1 52 52 LEU C C 52 175.414 175.414 176.349 -0.935 25125
2350 1 4 . 1 1 52 52 LEU CA C 52 54.323 54.323 53.979 0.344 25125
2351 1 4 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.261 2.260 25125
2352 1 4 . 1 1 52 52 LEU H H 52 9.242 9.242 8.853 0.389 25125
2353 1 4 . 1 1 53 53 SER N N 53 114.946 114.946 117.460 -2.514 25125
2354 1 4 . 1 1 53 53 SER HA H 53 5.595 5.595 4.409 1.186 25125
2355 1 4 . 1 1 53 53 SER C C 53 174.644 174.644 173.695 0.949 25125
2356 1 4 . 1 1 53 53 SER CA C 53 55.954 55.954 59.636 -3.682 25125
2357 1 4 . 1 1 53 53 SER CB C 53 66.473 66.473 64.419 2.054 25125
2358 1 4 . 1 1 53 53 SER H H 53 8.695 8.695 7.998 0.697 25125
2359 1 4 . 1 1 54 54 ASP N N 54 128.341 128.341 122.947 5.394 25125
2360 1 4 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.132 0.193 25125
2361 1 4 . 1 1 54 54 ASP C C 54 176.816 176.816 175.778 1.038 25125
2362 1 4 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.830 1.663 25125
2363 1 4 . 1 1 54 54 ASP CB C 54 42.328 42.328 44.256 -1.928 25125
2364 1 4 . 1 1 54 54 ASP H H 54 7.886 7.886 8.536 -0.650 25125
2365 1 4 . 1 1 55 55 ILE N N 55 121.229 121.229 122.482 -1.253 25125
2366 1 4 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.250 -0.065 25125
2367 1 4 . 1 1 55 55 ILE C C 55 175.084 175.084 174.249 0.835 25125
2368 1 4 . 1 1 55 55 ILE CA C 55 61.542 61.542 60.604 0.938 25125
2369 1 4 . 1 1 55 55 ILE CB C 55 39.029 39.029 38.044 0.985 25125
2370 1 4 . 1 1 55 55 ILE H H 55 8.722 8.722 8.839 -0.117 25125
2371 1 4 . 1 1 56 56 ARG N N 56 124.188 124.188 122.295 1.893 25125
2372 1 4 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.484 0.021 25125
2373 1 4 . 1 1 56 56 ARG C C 56 175.661 175.661 174.747 0.914 25125
2374 1 4 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.143 -0.702 25125
2375 1 4 . 1 1 56 56 ARG CB C 56 30.362 30.362 30.362 0.000 25125
2376 1 4 . 1 1 56 56 ARG H H 56 8.499 8.499 8.519 -0.020 25125
2377 1 4 . 1 1 57 57 MET N N 57 122.581 122.581 118.374 4.207 25125
2378 1 4 . 1 1 57 57 MET HA H 57 4.821 4.821 4.968 -0.147 25125
2379 1 4 . 1 1 57 57 MET CA C 57 53.132 53.132 52.123 1.010 25125
2380 1 4 . 1 1 57 57 MET CB C 57 33.445 33.445 32.731 0.714 25125
2381 1 4 . 1 1 57 57 MET H H 57 7.956 7.956 7.827 0.129 25125
2382 1 4 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.525 -0.132 25125
2383 1 4 . 1 1 58 58 PRO C C 58 177.806 177.806 178.401 -0.595 25125
2384 1 4 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.052 0.447 25125
2385 1 4 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.603 -0.796 25125
2386 1 4 . 1 1 59 59 GLY N N 59 111.082 111.082 107.904 3.178 25125
2387 1 4 . 1 1 59 59 GLY C C 59 173.626 173.626 174.537 -0.911 25125
2388 1 4 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.648 -0.058 25125
2389 1 4 . 1 1 59 59 GLY H H 59 8.653 8.653 8.454 0.199 25125
2390 1 4 . 1 1 60 60 MET N N 60 120.052 120.052 123.351 -3.299 25125
2391 1 4 . 1 1 60 60 MET HA H 60 4.525 4.525 4.468 0.057 25125
2392 1 4 . 1 1 60 60 MET C C 60 173.956 173.956 175.533 -1.577 25125
2393 1 4 . 1 1 60 60 MET CA C 60 55.047 55.047 55.675 -0.628 25125
2394 1 4 . 1 1 60 60 MET CB C 60 34.506 34.506 33.584 0.922 25125
2395 1 4 . 1 1 60 60 MET H H 60 7.968 7.968 8.067 -0.099 25125
2396 1 4 . 1 1 61 61 ASP N N 61 121.306 121.306 120.711 0.595 25125
2397 1 4 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.703 0.001 25125
2398 1 4 . 1 1 61 61 ASP C C 61 176.761 176.761 177.405 -0.644 25125
2399 1 4 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.162 -0.433 25125
2400 1 4 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.129 -0.060 25125
2401 1 4 . 1 1 61 61 ASP H H 61 8.379 8.379 8.453 -0.074 25125
2402 1 4 . 1 1 62 62 GLY N N 62 110.874 110.874 108.837 2.037 25125
2403 1 4 . 1 1 62 62 GLY C C 62 175.194 175.194 175.911 -0.717 25125
2404 1 4 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.818 0.283 25125
2405 1 4 . 1 1 62 62 GLY H H 62 8.707 8.707 8.373 0.334 25125
2406 1 4 . 1 1 63 63 LEU N N 63 121.299 121.299 120.897 0.402 25125
2407 1 4 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.581 -0.404 25125
2408 1 4 . 1 1 63 63 LEU C C 63 178.356 178.356 178.268 0.088 25125
2409 1 4 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.750 1.128 25125
2410 1 4 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.556 0.682 25125
2411 1 4 . 1 1 63 63 LEU H H 63 8.045 8.045 8.011 0.034 25125
2412 1 4 . 1 1 64 64 ALA N N 64 122.741 122.741 123.477 -0.736 25125
2413 1 4 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.071 -0.009 25125
2414 1 4 . 1 1 64 64 ALA C C 64 180.556 180.556 179.099 1.457 25125
2415 1 4 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.015 -0.400 25125
2416 1 4 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.112 -0.112 25125
2417 1 4 . 1 1 64 64 ALA H H 64 7.859 7.859 8.239 -0.380 25125
2418 1 4 . 1 1 65 65 LEU N N 65 120.287 120.287 114.603 5.684 25125
2419 1 4 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.326 -0.264 25125
2420 1 4 . 1 1 65 65 LEU C C 65 178.191 178.191 179.000 -0.809 25125
2421 1 4 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.555 1.464 25125
2422 1 4 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.847 -0.609 25125
2423 1 4 . 1 1 65 65 LEU H H 65 8.022 8.022 7.684 0.338 25125
2424 1 4 . 1 1 66 66 LEU N N 66 118.738 118.738 121.476 -2.738 25125
2425 1 4 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.003 -0.145 25125
2426 1 4 . 1 1 66 66 LEU C C 66 178.631 178.631 178.572 0.059 25125
2427 1 4 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.595 0.751 25125
2428 1 4 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.796 -0.558 25125
2429 1 4 . 1 1 66 66 LEU H H 66 8.101 8.101 7.711 0.390 25125
2430 1 4 . 1 1 67 67 LYS N N 67 117.842 117.842 118.439 -0.597 25125
2431 1 4 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.083 -0.101 25125
2432 1 4 . 1 1 67 67 LYS C C 67 179.263 179.263 178.093 1.170 25125
2433 1 4 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.656 1.141 25125
2434 1 4 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.089 0.118 25125
2435 1 4 . 1 1 67 67 LYS H H 67 8.010 8.010 7.963 0.047 25125
2436 1 4 . 1 1 68 68 GLN N N 68 118.875 118.875 117.167 1.708 25125
2437 1 4 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.250 -0.194 25125
2438 1 4 . 1 1 68 68 GLN C C 68 179.071 179.071 177.505 1.566 25125
2439 1 4 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.221 0.852 25125
2440 1 4 . 1 1 68 68 GLN CB C 68 28.611 28.611 29.008 -0.397 25125
2441 1 4 . 1 1 68 68 GLN H H 68 7.809 7.809 8.192 -0.383 25125
2442 1 4 . 1 1 69 69 ILE N N 69 120.377 120.377 121.356 -0.979 25125
2443 1 4 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.898 -0.368 25125
2444 1 4 . 1 1 69 69 ILE C C 69 177.421 177.421 178.086 -0.665 25125
2445 1 4 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.916 0.962 25125
2446 1 4 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.644 -0.060 25125
2447 1 4 . 1 1 69 69 ILE H H 69 8.481 8.481 7.480 1.001 25125
2448 1 4 . 1 1 70 70 LYS N N 70 117.873 117.873 116.671 1.202 25125
2449 1 4 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.253 -0.293 25125
2450 1 4 . 1 1 70 70 LYS C C 70 178.053 178.053 178.046 0.007 25125
2451 1 4 . 1 1 70 70 LYS CA C 70 57.088 57.088 57.361 -0.273 25125
2452 1 4 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.866 -0.654 25125
2453 1 4 . 1 1 70 70 LYS H H 70 8.220 8.220 7.994 0.226 25125
2454 1 4 . 1 1 71 71 GLN N N 71 116.315 116.315 117.907 -1.592 25125
2455 1 4 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.256 -0.264 25125
2456 1 4 . 1 1 71 71 GLN C C 71 177.366 177.366 177.678 -0.312 25125
2457 1 4 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.465 0.725 25125
2458 1 4 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.048 -0.383 25125
2459 1 4 . 1 1 71 71 GLN H H 71 7.601 7.601 7.658 -0.057 25125
2460 1 4 . 1 1 72 72 ARG N N 72 116.530 116.530 117.538 -1.008 25125
2461 1 4 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.254 -0.224 25125
2462 1 4 . 1 1 72 72 ARG C C 72 175.826 175.826 176.636 -0.810 25125
2463 1 4 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.209 0.014 25125
2464 1 4 . 1 1 72 72 ARG CB C 72 31.802 31.802 32.223 -0.421 25125
2465 1 4 . 1 1 72 72 ARG H H 72 7.301 7.301 8.149 -0.848 25125
2466 1 4 . 1 1 73 73 HIS N N 73 116.755 116.755 117.150 -0.395 25125
2467 1 4 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.017 -0.057 25125
2468 1 4 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.570 -0.352 25125
2469 1 4 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.168 0.394 25125
2470 1 4 . 1 1 73 73 HIS H H 73 8.331 8.331 7.955 0.376 25125
2471 1 4 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.359 0.140 25125
2472 1 4 . 1 1 74 74 PRO C C 74 178.466 178.466 177.886 0.580 25125
2473 1 4 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.237 -0.124 25125
2474 1 4 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.164 -0.069 25125
2475 1 4 . 1 1 75 75 MET N N 75 114.814 114.814 113.717 1.097 25125
2476 1 4 . 1 1 75 75 MET HA H 75 4.567 4.567 4.469 0.098 25125
2477 1 4 . 1 1 75 75 MET C C 75 176.046 176.046 175.738 0.308 25125
2478 1 4 . 1 1 75 75 MET CA C 75 54.266 54.266 55.698 -1.432 25125
2479 1 4 . 1 1 75 75 MET CB C 75 31.288 31.288 31.937 -0.649 25125
2480 1 4 . 1 1 75 75 MET H H 75 8.623 8.623 7.780 0.843 25125
2481 1 4 . 1 1 76 76 LEU N N 76 125.533 125.533 123.610 1.923 25125
2482 1 4 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.741 -0.436 25125
2483 1 4 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.256 1.856 25125
2484 1 4 . 1 1 76 76 LEU CB C 76 43.685 43.685 44.475 -0.790 25125
2485 1 4 . 1 1 76 76 LEU H H 76 7.337 7.337 7.134 0.203 25125
2486 1 4 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.551 -0.105 25125
2487 1 4 . 1 1 77 77 PRO C C 77 174.974 174.974 175.556 -0.582 25125
2488 1 4 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.702 0.125 25125
2489 1 4 . 1 1 77 77 PRO CB C 77 31.722 31.722 31.986 -0.264 25125
2490 1 4 . 1 1 78 78 VAL N N 78 123.779 123.779 123.091 0.688 25125
2491 1 4 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.721 0.303 25125
2492 1 4 . 1 1 78 78 VAL C C 78 175.441 175.441 175.320 0.121 25125
2493 1 4 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.604 -0.411 25125
2494 1 4 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.476 -1.182 25125
2495 1 4 . 1 1 78 78 VAL H H 78 8.317 8.317 8.138 0.179 25125
2496 1 4 . 1 1 79 79 ILE N N 79 128.334 128.334 121.725 6.609 25125
2497 1 4 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.804 -0.323 25125
2498 1 4 . 1 1 79 79 ILE C C 79 174.479 174.479 175.084 -0.605 25125
2499 1 4 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.897 -0.375 25125
2500 1 4 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.666 -1.703 25125
2501 1 4 . 1 1 79 79 ILE H H 79 9.292 9.292 8.815 0.477 25125
2502 1 4 . 1 1 80 80 ILE N N 80 127.023 127.023 125.207 1.816 25125
2503 1 4 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.361 0.498 25125
2504 1 4 . 1 1 80 80 ILE C C 80 175.029 175.029 175.113 -0.084 25125
2505 1 4 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.683 -1.526 25125
2506 1 4 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.481 -1.537 25125
2507 1 4 . 1 1 80 80 ILE H H 80 7.938 7.938 8.856 -0.918 25125
2508 1 4 . 1 1 81 81 MET N N 81 127.255 127.255 124.427 2.828 25125
2509 1 4 . 1 1 81 81 MET HA H 81 5.521 5.521 5.599 -0.078 25125
2510 1 4 . 1 1 81 81 MET C C 81 174.534 174.534 175.673 -1.139 25125
2511 1 4 . 1 1 81 81 MET CA C 81 53.513 53.513 54.788 -1.275 25125
2512 1 4 . 1 1 81 81 MET CB C 81 35.483 35.483 35.559 -0.076 25125
2513 1 4 . 1 1 81 81 MET H H 81 8.801 8.801 8.251 0.550 25125
2514 1 4 . 1 1 82 82 THR N N 82 112.857 112.857 117.012 -4.155 25125
2515 1 4 . 1 1 82 82 THR HA H 82 4.914 4.914 4.389 0.525 25125
2516 1 4 . 1 1 82 82 THR C C 82 172.581 172.581 173.231 -0.650 25125
2517 1 4 . 1 1 82 82 THR CA C 82 59.561 59.561 62.453 -2.892 25125
2518 1 4 . 1 1 82 82 THR CB C 82 69.989 69.989 69.638 0.351 25125
2519 1 4 . 1 1 82 82 THR H H 82 7.623 7.623 8.550 -0.927 25125
2520 1 4 . 1 1 83 83 ALA N N 83 129.541 129.541 123.668 5.873 25125
2521 1 4 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.911 0.797 25125
2522 1 4 . 1 1 83 83 ALA CA C 83 52.538 52.538 52.776 -0.238 25125
2523 1 4 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.998 1.149 25125
2524 1 4 . 1 1 83 83 ALA H H 83 9.149 9.149 7.808 1.341 25125
2525 1 4 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.203 0.069 25125
2526 1 4 . 1 1 84 84 HIS CA C 84 59.700 59.700 56.522 3.178 25125
2527 1 4 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.293 1.725 25125
2528 1 4 . 1 1 85 85 SER N N 85 112.633 112.633 117.692 -5.059 25125
2529 1 4 . 1 1 85 85 SER HA H 85 4.198 4.198 4.048 0.150 25125
2530 1 4 . 1 1 85 85 SER C C 85 174.506 174.506 173.719 0.787 25125
2531 1 4 . 1 1 85 85 SER CA C 85 59.823 59.823 60.499 -0.676 25125
2532 1 4 . 1 1 85 85 SER CB C 85 62.693 62.693 62.843 -0.150 25125
2533 1 4 . 1 1 85 85 SER H H 85 8.224 8.224 8.665 -0.441 25125
2534 1 4 . 1 1 86 86 ASP N N 86 120.886 120.886 124.503 -3.617 25125
2535 1 4 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.397 0.539 25125
2536 1 4 . 1 1 86 86 ASP C C 86 175.881 175.881 176.966 -1.085 25125
2537 1 4 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.479 -1.545 25125
2538 1 4 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.756 1.247 25125
2539 1 4 . 1 1 86 86 ASP H H 86 7.608 7.608 8.256 -0.648 25125
2540 1 4 . 1 1 87 87 LEU N N 87 121.913 121.913 121.475 0.438 25125
2541 1 4 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.715 0.204 25125
2542 1 4 . 1 1 87 87 LEU C C 87 177.586 177.586 177.780 -0.194 25125
2543 1 4 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.015 -0.178 25125
2544 1 4 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.795 0.520 25125
2545 1 4 . 1 1 87 87 LEU H H 87 7.498 7.498 7.579 -0.081 25125
2546 1 4 . 1 1 88 88 ASP N N 88 117.621 117.621 117.950 -0.329 25125
2547 1 4 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.246 0.026 25125
2548 1 4 . 1 1 88 88 ASP C C 88 178.246 178.246 177.341 0.905 25125
2549 1 4 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.073 -0.263 25125
2550 1 4 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.561 -0.427 25125
2551 1 4 . 1 1 88 88 ASP H H 88 8.322 8.322 8.641 -0.319 25125
2552 1 4 . 1 1 89 89 ALA N N 89 122.874 122.874 119.984 2.890 25125
2553 1 4 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.379 -0.285 25125
2554 1 4 . 1 1 89 89 ALA C C 89 179.346 179.346 178.992 0.354 25125
2555 1 4 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.249 -0.096 25125
2556 1 4 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.732 -0.471 25125
2557 1 4 . 1 1 89 89 ALA H H 89 7.838 7.838 7.488 0.350 25125
2558 1 4 . 1 1 90 90 ALA N N 90 121.673 121.673 121.713 -0.040 25125
2559 1 4 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.358 -0.425 25125
2560 1 4 . 1 1 90 90 ALA C C 90 178.686 178.686 180.100 -1.414 25125
2561 1 4 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.133 0.530 25125
2562 1 4 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.352 0.030 25125
2563 1 4 . 1 1 90 90 ALA H H 90 7.896 7.896 7.498 0.398 25125
2564 1 4 . 1 1 91 91 VAL N N 91 117.749 117.749 119.505 -1.756 25125
2565 1 4 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.992 -0.380 25125
2566 1 4 . 1 1 91 91 VAL C C 91 178.411 178.411 177.541 0.870 25125
2567 1 4 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.211 -1.030 25125
2568 1 4 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.645 -0.008 25125
2569 1 4 . 1 1 91 91 VAL H H 91 8.098 8.098 8.645 -0.546 25125
2570 1 4 . 1 1 92 92 SER N N 92 114.942 114.942 114.467 0.475 25125
2571 1 4 . 1 1 92 92 SER HA H 92 4.231 4.231 4.414 -0.183 25125
2572 1 4 . 1 1 92 92 SER C C 92 175.826 175.826 175.436 0.390 25125
2573 1 4 . 1 1 92 92 SER CA C 92 60.649 60.649 59.994 0.655 25125
2574 1 4 . 1 1 92 92 SER CB C 92 63.063 63.063 64.044 -0.981 25125
2575 1 4 . 1 1 92 92 SER H H 92 7.825 7.825 8.308 -0.483 25125
2576 1 4 . 1 1 93 93 ALA N N 93 122.580 122.580 123.417 -0.837 25125
2577 1 4 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.225 -0.168 25125
2578 1 4 . 1 1 93 93 ALA C C 93 178.906 178.906 179.576 -0.670 25125
2579 1 4 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.590 -0.273 25125
2580 1 4 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.738 -0.441 25125
2581 1 4 . 1 1 93 93 ALA H H 93 7.861 7.861 7.626 0.235 25125
2582 1 4 . 1 1 94 94 TYR N N 94 118.447 118.447 120.639 -2.192 25125
2583 1 4 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.294 0.198 25125
2584 1 4 . 1 1 94 94 TYR C C 94 177.393 177.393 177.441 -0.048 25125
2585 1 4 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.838 -0.587 25125
2586 1 4 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.414 0.020 25125
2587 1 4 . 1 1 94 94 TYR H H 94 8.150 8.150 7.906 0.244 25125
2588 1 4 . 1 1 95 95 GLN N N 95 119.787 119.787 116.082 3.705 25125
2589 1 4 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.066 -0.023 25125
2590 1 4 . 1 1 95 95 GLN C C 95 176.981 176.981 176.627 0.354 25125
2591 1 4 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.958 0.508 25125
2592 1 4 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.738 0.351 25125
2593 1 4 . 1 1 95 95 GLN H H 95 8.271 8.271 8.049 0.222 25125
2594 1 4 . 1 1 96 96 GLN N N 96 117.878 117.878 118.449 -0.571 25125
2595 1 4 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.245 0.100 25125
2596 1 4 . 1 1 96 96 GLN C C 96 175.854 175.854 176.118 -0.264 25125
2597 1 4 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.904 0.267 25125
2598 1 4 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.087 0.388 25125
2599 1 4 . 1 1 96 96 GLN H H 96 7.944 7.944 7.693 0.251 25125
2600 1 4 . 1 1 97 97 GLY N N 97 106.670 106.670 105.633 1.037 25125
2601 1 4 . 1 1 97 97 GLY C C 97 174.231 174.231 173.001 1.230 25125
2602 1 4 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.731 0.755 25125
2603 1 4 . 1 1 97 97 GLY H H 97 7.949 7.949 7.809 0.140 25125
2604 1 4 . 1 1 98 98 ALA N N 98 122.898 122.898 121.412 1.486 25125
2605 1 4 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.456 -0.081 25125
2606 1 4 . 1 1 98 98 ALA C C 98 175.991 175.991 175.502 0.489 25125
2607 1 4 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.959 2.209 25125
2608 1 4 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.161 -1.192 25125
2609 1 4 . 1 1 98 98 ALA H H 98 7.808 7.808 7.162 0.646 25125
2610 1 4 . 1 1 99 99 PHE N N 99 123.484 123.484 119.088 4.396 25125
2611 1 4 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.424 -0.074 25125
2612 1 4 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.745 1.711 25125
2613 1 4 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.234 -0.794 25125
2614 1 4 . 1 1 99 99 PHE H H 99 7.704 7.704 8.277 -0.573 25125
2615 1 4 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.941 0.563 25125
2616 1 4 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.351 -1.869 25125
2617 1 4 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.427 3.773 25125
2618 1 4 . 1 1 101 101 TYR N N 101 118.148 118.148 121.374 -3.226 25125
2619 1 4 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.532 0.916 25125
2620 1 4 . 1 1 101 101 TYR C C 101 173.159 173.159 174.444 -1.285 25125
2621 1 4 . 1 1 101 101 TYR CA C 101 55.987 55.987 57.225 -1.238 25125
2622 1 4 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.972 2.926 25125
2623 1 4 . 1 1 101 101 TYR H H 101 9.546 9.546 7.373 2.173 25125
2624 1 4 . 1 1 102 102 LEU N N 102 124.100 124.100 119.192 4.908 25125
2625 1 4 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.127 -0.406 25125
2626 1 4 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.660 -1.161 25125
2627 1 4 . 1 1 102 102 LEU CB C 102 45.061 45.061 46.080 -1.019 25125
2628 1 4 . 1 1 102 102 LEU H H 102 8.901 8.901 8.897 0.004 25125
2629 1 4 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.482 0.410 25125
2630 1 4 . 1 1 103 103 PRO C C 103 175.524 175.524 175.422 0.102 25125
2631 1 4 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.558 -0.673 25125
2632 1 4 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.356 -0.549 25125
2633 1 4 . 1 1 104 104 LYS N N 104 118.848 118.848 121.636 -2.788 25125
2634 1 4 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.849 -0.336 25125
2635 1 4 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.421 -0.203 25125
2636 1 4 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.111 1.633 25125
2637 1 4 . 1 1 104 104 LYS H H 104 8.279 8.279 7.948 0.331 25125
2638 1 4 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.524 -0.225 25125
2639 1 4 . 1 1 105 105 PRO C C 105 175.001 175.001 175.384 -0.383 25125
2640 1 4 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.569 -0.175 25125
2641 1 4 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.309 1.786 25125
2642 1 4 . 1 1 106 106 PHE N N 106 116.607 116.607 114.432 2.175 25125
2643 1 4 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.791 0.379 25125
2644 1 4 . 1 1 106 106 PHE C C 106 175.221 175.221 173.874 1.347 25125
2645 1 4 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.668 -2.233 25125
2646 1 4 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.893 -0.493 25125
2647 1 4 . 1 1 106 106 PHE H H 106 7.457 7.457 7.486 -0.029 25125
2648 1 4 . 1 1 107 107 ASP N N 107 122.214 122.214 122.726 -0.512 25125
2649 1 4 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.010 -0.178 25125
2650 1 4 . 1 1 107 107 ASP C C 107 177.778 177.778 176.997 0.781 25125
2651 1 4 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.643 -0.401 25125
2652 1 4 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.201 1.396 25125
2653 1 4 . 1 1 107 107 ASP H H 107 9.022 9.022 8.759 0.263 25125
2654 1 4 . 1 1 108 108 ILE N N 108 127.706 127.706 125.416 2.290 25125
2655 1 4 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.768 0.197 25125
2656 1 4 . 1 1 108 108 ILE C C 108 176.046 176.046 177.106 -1.060 25125
2657 1 4 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.938 -1.949 25125
2658 1 4 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.028 -0.273 25125
2659 1 4 . 1 1 108 108 ILE H H 108 8.860 8.860 8.819 0.041 25125
2660 1 4 . 1 1 109 109 ASP N N 109 120.058 120.058 118.718 1.340 25125
2661 1 4 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.405 -0.017 25125
2662 1 4 . 1 1 109 109 ASP C C 109 179.786 179.786 179.067 0.719 25125
2663 1 4 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.751 -0.257 25125
2664 1 4 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.978 0.076 25125
2665 1 4 . 1 1 109 109 ASP H H 109 8.079 8.079 8.636 -0.557 25125
2666 1 4 . 1 1 110 110 GLU N N 110 121.559 121.559 119.890 1.669 25125
2667 1 4 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.308 -0.240 25125
2668 1 4 . 1 1 110 110 GLU C C 110 179.043 179.043 178.355 0.688 25125
2669 1 4 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.152 0.674 25125
2670 1 4 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.694 -0.351 25125
2671 1 4 . 1 1 110 110 GLU H H 110 8.012 8.012 7.974 0.038 25125
2672 1 4 . 1 1 111 111 ALA N N 111 122.267 122.267 123.231 -0.964 25125
2673 1 4 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.060 -0.306 25125
2674 1 4 . 1 1 111 111 ALA C C 111 178.493 178.493 179.403 -0.910 25125
2675 1 4 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.252 -0.080 25125
2676 1 4 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.231 0.151 25125
2677 1 4 . 1 1 111 111 ALA H H 111 7.897 7.897 8.504 -0.607 25125
2678 1 4 . 1 1 112 112 VAL N N 112 116.527 116.527 118.329 -1.802 25125
2679 1 4 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.535 -0.368 25125
2680 1 4 . 1 1 112 112 VAL C C 112 177.201 177.201 177.941 -0.740 25125
2681 1 4 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.518 0.627 25125
2682 1 4 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.637 -0.085 25125
2683 1 4 . 1 1 112 112 VAL H H 112 8.018 8.018 8.175 -0.157 25125
2684 1 4 . 1 1 113 113 ALA N N 113 119.895 119.895 120.989 -1.094 25125
2685 1 4 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.218 -0.081 25125
2686 1 4 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.440 0.392 25125
2687 1 4 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.550 -0.678 25125
2688 1 4 . 1 1 113 113 ALA H H 113 7.673 7.673 7.484 0.189 25125
2689 1 4 . 1 1 114 114 LEU N N 114 120.650 120.650 120.485 0.165 25125
2690 1 4 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.159 -0.076 25125
2691 1 4 . 1 1 114 114 LEU C C 114 178.466 178.466 178.102 0.364 25125
2692 1 4 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.735 0.285 25125
2693 1 4 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.058 -0.225 25125
2694 1 4 . 1 1 114 114 LEU H H 114 7.840 7.840 7.795 0.045 25125
2695 1 4 . 1 1 115 115 VAL N N 115 119.480 119.480 116.661 2.819 25125
2696 1 4 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.710 -0.498 25125
2697 1 4 . 1 1 115 115 VAL C C 115 177.448 177.448 177.188 0.260 25125
2698 1 4 . 1 1 115 115 VAL CA C 115 67.201 67.201 64.728 2.473 25125
2699 1 4 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.790 -1.118 25125
2700 1 4 . 1 1 115 115 VAL H H 115 7.824 7.824 7.792 0.032 25125
2701 1 4 . 1 1 116 116 GLU N N 116 117.473 117.473 120.454 -2.981 25125
2702 1 4 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.872 -0.083 25125
2703 1 4 . 1 1 116 116 GLU C C 116 179.566 179.566 178.754 0.812 25125
2704 1 4 . 1 1 116 116 GLU CA C 116 59.930 59.930 60.242 -0.312 25125
2705 1 4 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.356 -0.260 25125
2706 1 4 . 1 1 116 116 GLU H H 116 8.465 8.465 7.554 0.911 25125
2707 1 4 . 1 1 117 117 ARG N N 117 120.128 120.128 116.724 3.404 25125
2708 1 4 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.153 -0.089 25125
2709 1 4 . 1 1 117 117 ARG C C 117 178.438 178.438 177.420 1.018 25125
2710 1 4 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.394 0.884 25125
2711 1 4 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.732 0.545 25125
2712 1 4 . 1 1 117 117 ARG H H 117 8.012 8.012 7.877 0.135 25125
2713 1 4 . 1 1 118 118 ALA N N 118 122.270 122.270 121.224 1.046 25125
2714 1 4 . 1 1 118 118 ALA HA H 118 3.456 3.456 4.052 -0.596 25125
2715 1 4 . 1 1 118 118 ALA C C 118 178.741 178.741 178.426 0.315 25125
2716 1 4 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.557 1.021 25125
2717 1 4 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.237 -1.079 25125
2718 1 4 . 1 1 118 118 ALA H H 118 7.958 7.958 7.514 0.444 25125
2719 1 4 . 1 1 119 119 ILE N N 119 115.269 115.269 117.425 -2.156 25125
2720 1 4 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.018 -0.289 25125
2721 1 4 . 1 1 119 119 ILE C C 119 177.366 177.366 178.173 -0.807 25125
2722 1 4 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.496 -0.827 25125
2723 1 4 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.649 -0.851 25125
2724 1 4 . 1 1 119 119 ILE H H 119 7.753 7.753 7.806 -0.053 25125
2725 1 4 . 1 1 120 120 SER N N 120 115.135 115.135 115.521 -0.386 25125
2726 1 4 . 1 1 120 120 SER HA H 120 4.275 4.275 4.082 0.193 25125
2727 1 4 . 1 1 120 120 SER C C 120 175.084 175.084 175.008 0.076 25125
2728 1 4 . 1 1 120 120 SER CA C 120 59.816 59.816 61.039 -1.223 25125
2729 1 4 . 1 1 120 120 SER CB C 120 63.380 63.380 63.055 0.325 25125
2730 1 4 . 1 1 120 120 SER H H 120 7.816 7.816 8.348 -0.532 25125
2731 1 4 . 1 1 121 121 HIS N N 121 119.908 119.908 117.671 2.237 25125
2732 1 4 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.155 0.267 25125
2733 1 4 . 1 1 121 121 HIS C C 121 175.029 175.029 175.940 -0.911 25125
2734 1 4 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.304 -1.068 25125
2735 1 4 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.489 -0.061 25125
2736 1 4 . 1 1 121 121 HIS H H 121 7.910 7.910 7.906 0.004 25125
2737 1 4 . 1 1 122 122 TYR N N 122 118.880 118.880 115.825 3.055 25125
2738 1 4 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.646 -0.220 25125
2739 1 4 . 1 1 122 122 TYR C C 122 175.276 175.276 176.197 -0.921 25125
2740 1 4 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.630 -0.181 25125
2741 1 4 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.713 -1.109 25125
2742 1 4 . 1 1 122 122 TYR H H 122 7.766 7.766 7.791 -0.025 25125
2743 1 4 . 1 1 123 123 GLN N N 123 121.479 121.479 118.393 3.086 25125
2744 1 4 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.459 -0.189 25125
2745 1 4 . 1 1 123 123 GLN C C 123 174.534 174.534 175.343 -0.809 25125
2746 1 4 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.060 0.452 25125
2747 1 4 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.233 0.535 25125
2748 1 4 . 1 1 123 123 GLN H H 123 7.878 7.878 7.851 0.027 25125
2749 1 5 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.605 -0.172 25125
2750 1 5 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.415 0.149 25125
2751 1 5 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.005 2.595 25125
2752 1 5 . 1 1 3 3 ARG N N 3 121.252 121.252 119.273 1.979 25125
2753 1 5 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.136 0.229 25125
2754 1 5 . 1 1 3 3 ARG C C 3 175.634 175.634 176.577 -0.943 25125
2755 1 5 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.876 -0.885 25125
2756 1 5 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.085 1.212 25125
2757 1 5 . 1 1 3 3 ARG H H 3 8.429 8.429 7.788 0.641 25125
2758 1 5 . 1 1 4 4 GLY N N 4 107.663 107.663 107.911 -0.248 25125
2759 1 5 . 1 1 4 4 GLY C C 4 171.041 171.041 173.346 -2.305 25125
2760 1 5 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.509 0.807 25125
2761 1 5 . 1 1 4 4 GLY H H 4 7.963 7.963 7.802 0.161 25125
2762 1 5 . 1 1 5 5 ILE N N 5 122.603 122.603 125.008 -2.405 25125
2763 1 5 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.007 0.692 25125
2764 1 5 . 1 1 5 5 ILE C C 5 175.359 175.359 175.066 0.293 25125
2765 1 5 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.806 -1.196 25125
2766 1 5 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.365 0.211 25125
2767 1 5 . 1 1 5 5 ILE H H 5 9.610 9.610 8.189 1.421 25125
2768 1 5 . 1 1 6 6 VAL N N 6 127.905 127.905 124.429 3.476 25125
2769 1 5 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.969 -0.157 25125
2770 1 5 . 1 1 6 6 VAL C C 6 174.204 174.204 175.220 -1.016 25125
2771 1 5 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.403 -0.844 25125
2772 1 5 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.512 0.014 25125
2773 1 5 . 1 1 6 6 VAL H H 6 9.090 9.090 7.914 1.176 25125
2774 1 5 . 1 1 7 7 TRP N N 7 127.467 127.467 127.065 0.402 25125
2775 1 5 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.152 1.302 25125
2776 1 5 . 1 1 7 7 TRP C C 7 175.056 175.056 175.175 -0.119 25125
2777 1 5 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.400 -1.522 25125
2778 1 5 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.696 1.438 25125
2779 1 5 . 1 1 7 7 TRP H H 7 8.497 8.497 8.190 0.307 25125
2780 1 5 . 1 1 8 8 VAL N N 8 122.068 122.068 119.913 2.155 25125
2781 1 5 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.562 0.524 25125
2782 1 5 . 1 1 8 8 VAL C C 8 173.874 173.874 174.541 -0.667 25125
2783 1 5 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.940 -0.453 25125
2784 1 5 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.315 1.400 25125
2785 1 5 . 1 1 8 8 VAL H H 8 8.583 8.583 9.233 -0.650 25125
2786 1 5 . 1 1 9 9 VAL N N 9 127.733 127.733 123.160 4.573 25125
2787 1 5 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.512 0.449 25125
2788 1 5 . 1 1 9 9 VAL C C 9 173.131 173.131 173.510 -0.379 25125
2789 1 5 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.620 -1.945 25125
2790 1 5 . 1 1 9 9 VAL CB C 9 32.911 32.911 35.288 -2.377 25125
2791 1 5 . 1 1 9 9 VAL H H 9 9.107 9.107 7.930 1.177 25125
2792 1 5 . 1 1 10 10 ASP N N 10 124.306 124.306 127.217 -2.911 25125
2793 1 5 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.875 -0.306 25125
2794 1 5 . 1 1 10 10 ASP C C 10 175.029 175.029 174.840 0.189 25125
2795 1 5 . 1 1 10 10 ASP CA C 10 54.747 54.747 54.904 -0.157 25125
2796 1 5 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.109 2.000 25125
2797 1 5 . 1 1 10 10 ASP H H 10 7.775 7.775 8.807 -1.032 25125
2798 1 5 . 1 1 11 11 ASP N N 11 126.714 126.714 118.436 8.278 25125
2799 1 5 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.687 -0.152 25125
2800 1 5 . 1 1 11 11 ASP C C 11 175.689 175.689 174.672 1.017 25125
2801 1 5 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.378 1.340 25125
2802 1 5 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.513 -0.439 25125
2803 1 5 . 1 1 11 11 ASP H H 11 9.033 9.033 8.413 0.620 25125
2804 1 5 . 1 1 12 12 ASP N N 12 121.877 121.877 120.431 1.446 25125
2805 1 5 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.873 -0.227 25125
2806 1 5 . 1 1 12 12 ASP C C 12 177.036 177.036 177.339 -0.303 25125
2807 1 5 . 1 1 12 12 ASP CA C 12 53.303 53.303 54.045 -0.742 25125
2808 1 5 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.019 -1.855 25125
2809 1 5 . 1 1 12 12 ASP H H 12 9.570 9.570 7.970 1.600 25125
2810 1 5 . 1 1 13 13 SER N N 13 123.799 123.799 118.320 5.479 25125
2811 1 5 . 1 1 13 13 SER HA H 13 3.761 3.761 4.265 -0.504 25125
2812 1 5 . 1 1 13 13 SER C C 13 176.156 176.156 176.210 -0.054 25125
2813 1 5 . 1 1 13 13 SER CA C 13 61.186 61.186 61.301 -0.115 25125
2814 1 5 . 1 1 13 13 SER CB C 13 62.749 62.749 63.552 -0.803 25125
2815 1 5 . 1 1 13 13 SER H H 13 8.850 8.850 8.723 0.127 25125
2816 1 5 . 1 1 14 14 SER N N 14 119.123 119.123 119.190 -0.067 25125
2817 1 5 . 1 1 14 14 SER HA H 14 4.361 4.361 4.274 0.087 25125
2818 1 5 . 1 1 14 14 SER C C 14 176.404 176.404 176.798 -0.394 25125
2819 1 5 . 1 1 14 14 SER CA C 14 61.730 61.730 61.949 -0.219 25125
2820 1 5 . 1 1 14 14 SER CB C 14 62.548 62.548 62.550 -0.002 25125
2821 1 5 . 1 1 14 14 SER H H 14 8.531 8.531 8.498 0.033 25125
2822 1 5 . 1 1 15 15 ILE N N 15 123.637 123.637 119.543 4.094 25125
2823 1 5 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.800 0.145 25125
2824 1 5 . 1 1 15 15 ILE C C 15 177.861 177.861 178.199 -0.338 25125
2825 1 5 . 1 1 15 15 ILE CA C 15 61.200 61.200 64.165 -2.965 25125
2826 1 5 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.701 -0.815 25125
2827 1 5 . 1 1 15 15 ILE H H 15 7.206 7.206 8.572 -1.366 25125
2828 1 5 . 1 1 16 16 ARG N N 16 116.694 116.694 117.800 -1.106 25125
2829 1 5 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.220 -0.497 25125
2830 1 5 . 1 1 16 16 ARG C C 16 177.448 177.448 178.455 -1.007 25125
2831 1 5 . 1 1 16 16 ARG CA C 16 61.573 61.573 59.010 2.563 25125
2832 1 5 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.347 0.100 25125
2833 1 5 . 1 1 16 16 ARG H H 16 7.562 7.562 7.523 0.039 25125
2834 1 5 . 1 1 17 17 TRP N N 17 116.848 116.848 122.595 -5.747 25125
2835 1 5 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.459 0.012 25125
2836 1 5 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.587 -0.148 25125
2837 1 5 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.564 -0.272 25125
2838 1 5 . 1 1 17 17 TRP H H 17 8.005 8.005 7.425 0.580 25125
2839 1 5 . 1 1 18 18 VAL N N 18 116.964 116.964 117.112 -0.148 25125
2840 1 5 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.895 0.780 25125
2841 1 5 . 1 1 18 18 VAL C C 18 179.181 179.181 176.863 2.318 25125
2842 1 5 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.763 -0.055 25125
2843 1 5 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.702 0.935 25125
2844 1 5 . 1 1 18 18 VAL H H 18 8.110 8.110 8.733 -0.623 25125
2845 1 5 . 1 1 19 19 LEU N N 19 120.186 120.186 118.624 1.562 25125
2846 1 5 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.276 -0.201 25125
2847 1 5 . 1 1 19 19 LEU C C 19 177.778 177.778 178.923 -1.145 25125
2848 1 5 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.795 1.027 25125
2849 1 5 . 1 1 19 19 LEU CB C 19 41.781 41.781 42.105 -0.324 25125
2850 1 5 . 1 1 19 19 LEU H H 19 8.073 8.073 7.581 0.492 25125
2851 1 5 . 1 1 20 20 GLU N N 20 120.193 120.193 120.849 -0.656 25125
2852 1 5 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.953 -0.012 25125
2853 1 5 . 1 1 20 20 GLU C C 20 178.603 178.603 178.791 -0.188 25125
2854 1 5 . 1 1 20 20 GLU CA C 20 60.610 60.610 60.066 0.544 25125
2855 1 5 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.804 -0.716 25125
2856 1 5 . 1 1 20 20 GLU H H 20 8.387 8.387 7.963 0.424 25125
2857 1 5 . 1 1 21 21 ARG N N 21 116.076 116.076 117.556 -1.480 25125
2858 1 5 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.897 -0.004 25125
2859 1 5 . 1 1 21 21 ARG C C 21 179.676 179.676 178.281 1.395 25125
2860 1 5 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.888 -0.438 25125
2861 1 5 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.186 0.667 25125
2862 1 5 . 1 1 21 21 ARG H H 21 7.602 7.602 8.301 -0.699 25125
2863 1 5 . 1 1 22 22 ALA N N 22 122.405 122.405 121.613 0.792 25125
2864 1 5 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.122 -0.025 25125
2865 1 5 . 1 1 22 22 ALA C C 22 180.501 180.501 178.967 1.534 25125
2866 1 5 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.320 0.258 25125
2867 1 5 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.140 1.092 25125
2868 1 5 . 1 1 22 22 ALA H H 22 7.992 7.992 7.786 0.206 25125
2869 1 5 . 1 1 23 23 LEU N N 23 118.026 118.026 118.425 -0.399 25125
2870 1 5 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.079 -0.078 25125
2871 1 5 . 1 1 23 23 LEU C C 23 178.878 178.878 178.810 0.068 25125
2872 1 5 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.627 1.094 25125
2873 1 5 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.996 -2.341 25125
2874 1 5 . 1 1 23 23 LEU H H 23 8.825 8.825 7.393 1.432 25125
2875 1 5 . 1 1 24 24 ALA N N 24 122.159 122.159 120.846 1.313 25125
2876 1 5 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.061 0.572 25125
2877 1 5 . 1 1 24 24 ALA C C 24 183.141 183.141 178.598 4.543 25125
2878 1 5 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.345 0.402 25125
2879 1 5 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.645 -0.943 25125
2880 1 5 . 1 1 24 24 ALA H H 24 8.125 8.125 8.304 -0.179 25125
2881 1 5 . 1 1 25 25 GLY N N 25 106.891 106.891 105.357 1.534 25125
2882 1 5 . 1 1 25 25 GLY C C 25 174.286 174.286 174.191 0.095 25125
2883 1 5 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.009 1.412 25125
2884 1 5 . 1 1 25 25 GLY H H 25 7.870 7.870 7.944 -0.074 25125
2885 1 5 . 1 1 26 26 ALA N N 26 121.819 121.819 123.586 -1.767 25125
2886 1 5 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.607 -0.108 25125
2887 1 5 . 1 1 26 26 ALA C C 26 176.953 176.953 177.301 -0.348 25125
2888 1 5 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.278 0.242 25125
2889 1 5 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.133 -1.411 25125
2890 1 5 . 1 1 26 26 ALA H H 26 7.285 7.285 7.388 -0.103 25125
2891 1 5 . 1 1 27 27 GLY N N 27 106.197 106.197 106.785 -0.588 25125
2892 1 5 . 1 1 27 27 GLY C C 27 173.956 173.956 173.210 0.746 25125
2893 1 5 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.993 0.323 25125
2894 1 5 . 1 1 27 27 GLY H H 27 7.824 7.824 8.378 -0.554 25125
2895 1 5 . 1 1 28 28 LEU N N 28 120.291 120.291 119.065 1.226 25125
2896 1 5 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.846 -0.271 25125
2897 1 5 . 1 1 28 28 LEU C C 28 175.881 175.881 176.090 -0.209 25125
2898 1 5 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.988 0.655 25125
2899 1 5 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.646 -2.161 25125
2900 1 5 . 1 1 28 28 LEU H H 28 7.678 7.678 7.184 0.494 25125
2901 1 5 . 1 1 29 29 THR N N 29 118.040 118.040 116.540 1.500 25125
2902 1 5 . 1 1 29 29 THR HA H 29 4.335 4.335 4.301 0.034 25125
2903 1 5 . 1 1 29 29 THR C C 29 173.186 173.186 174.354 -1.168 25125
2904 1 5 . 1 1 29 29 THR CA C 29 62.479 62.479 63.685 -1.206 25125
2905 1 5 . 1 1 29 29 THR CB C 29 69.465 69.465 69.491 -0.026 25125
2906 1 5 . 1 1 29 29 THR H H 29 8.527 8.527 8.573 -0.046 25125
2907 1 5 . 1 1 30 30 CYS N N 30 128.387 128.387 121.703 6.684 25125
2908 1 5 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.598 0.345 25125
2909 1 5 . 1 1 30 30 CYS C C 30 173.846 173.846 174.021 -0.175 25125
2910 1 5 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.636 -0.274 25125
2911 1 5 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.749 -1.269 25125
2912 1 5 . 1 1 30 30 CYS H H 30 8.968 8.968 8.398 0.570 25125
2913 1 5 . 1 1 31 31 THR N N 31 126.481 126.481 123.153 3.328 25125
2914 1 5 . 1 1 31 31 THR HA H 31 4.433 4.433 4.413 0.020 25125
2915 1 5 . 1 1 31 31 THR C C 31 172.609 172.609 173.537 -0.928 25125
2916 1 5 . 1 1 31 31 THR CA C 31 61.951 61.951 61.558 0.393 25125
2917 1 5 . 1 1 31 31 THR CB C 31 70.567 70.567 69.988 0.579 25125
2918 1 5 . 1 1 31 31 THR H H 31 8.614 8.614 8.494 0.120 25125
2919 1 5 . 1 1 32 32 THR N N 32 116.418 116.418 118.283 -1.865 25125
2920 1 5 . 1 1 32 32 THR HA H 32 5.330 5.330 5.202 0.128 25125
2921 1 5 . 1 1 32 32 THR C C 32 172.306 172.306 173.411 -1.105 25125
2922 1 5 . 1 1 32 32 THR CA C 32 59.173 59.173 60.640 -1.467 25125
2923 1 5 . 1 1 32 32 THR CB C 32 70.917 70.917 69.965 0.952 25125
2924 1 5 . 1 1 32 32 THR H H 32 8.299 8.299 8.237 0.062 25125
2925 1 5 . 1 1 33 33 PHE N N 33 118.067 118.067 125.295 -7.228 25125
2926 1 5 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.753 -0.110 25125
2927 1 5 . 1 1 33 33 PHE C C 33 174.341 174.341 176.350 -2.009 25125
2928 1 5 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.296 0.236 25125
2929 1 5 . 1 1 33 33 PHE CB C 33 43.309 43.309 41.546 1.763 25125
2930 1 5 . 1 1 33 33 PHE H H 33 8.890 8.890 8.931 -0.041 25125
2931 1 5 . 1 1 34 34 GLU N N 34 118.499 118.499 117.199 1.300 25125
2932 1 5 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.392 -0.038 25125
2933 1 5 . 1 1 34 34 GLU C C 34 175.414 175.414 175.745 -0.331 25125
2934 1 5 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.972 -0.280 25125
2935 1 5 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.002 0.465 25125
2936 1 5 . 1 1 34 34 GLU H H 34 9.023 9.023 8.734 0.289 25125
2937 1 5 . 1 1 35 35 ASN N N 35 109.907 109.907 117.440 -7.533 25125
2938 1 5 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.974 -0.193 25125
2939 1 5 . 1 1 35 35 ASN C C 35 175.139 175.139 176.676 -1.537 25125
2940 1 5 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.138 0.008 25125
2941 1 5 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.260 1.063 25125
2942 1 5 . 1 1 35 35 ASN H H 35 7.401 7.401 8.124 -0.723 25125
2943 1 5 . 1 1 36 36 GLY N N 36 106.739 106.739 112.138 -5.399 25125
2944 1 5 . 1 1 36 36 GLY C C 36 174.616 174.616 175.586 -0.970 25125
2945 1 5 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.180 -0.164 25125
2946 1 5 . 1 1 36 36 GLY H H 36 8.877 8.877 8.989 -0.113 25125
2947 1 5 . 1 1 37 37 ASN N N 37 120.462 120.462 119.187 1.275 25125
2948 1 5 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.491 -0.129 25125
2949 1 5 . 1 1 37 37 ASN C C 37 178.686 178.686 177.245 1.441 25125
2950 1 5 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.988 0.544 25125
2951 1 5 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.396 -0.812 25125
2952 1 5 . 1 1 37 37 ASN H H 37 8.366 8.366 8.547 -0.181 25125
2953 1 5 . 1 1 38 38 GLU N N 38 119.360 119.360 117.684 1.676 25125
2954 1 5 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.306 -0.236 25125
2955 1 5 . 1 1 38 38 GLU C C 38 179.263 179.263 178.060 1.203 25125
2956 1 5 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.161 1.471 25125
2957 1 5 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.632 0.900 25125
2958 1 5 . 1 1 38 38 GLU H H 38 7.990 7.990 8.199 -0.209 25125
2959 1 5 . 1 1 39 39 VAL N N 39 119.259 119.259 119.526 -0.267 25125
2960 1 5 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.140 -0.372 25125
2961 1 5 . 1 1 39 39 VAL C C 39 176.431 176.431 177.506 -1.075 25125
2962 1 5 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.757 0.186 25125
2963 1 5 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.816 -0.741 25125
2964 1 5 . 1 1 39 39 VAL H H 39 6.883 6.883 7.680 -0.797 25125
2965 1 5 . 1 1 40 40 LEU N N 40 119.627 119.627 121.150 -1.523 25125
2966 1 5 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.005 -0.078 25125
2967 1 5 . 1 1 40 40 LEU C C 40 179.538 179.538 177.905 1.633 25125
2968 1 5 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.082 -0.142 25125
2969 1 5 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.432 -0.364 25125
2970 1 5 . 1 1 40 40 LEU H H 40 7.692 7.692 7.984 -0.292 25125
2971 1 5 . 1 1 41 41 ALA N N 41 120.051 120.051 120.374 -0.323 25125
2972 1 5 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.126 0.014 25125
2973 1 5 . 1 1 41 41 ALA C C 41 180.528 180.528 179.654 0.874 25125
2974 1 5 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.621 0.029 25125
2975 1 5 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.872 -0.006 25125
2976 1 5 . 1 1 41 41 ALA H H 41 7.553 7.553 7.984 -0.431 25125
2977 1 5 . 1 1 42 42 ALA N N 42 122.731 122.731 122.207 0.524 25125
2978 1 5 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.132 0.067 25125
2979 1 5 . 1 1 42 42 ALA C C 42 180.198 180.198 180.304 -0.106 25125
2980 1 5 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.527 0.505 25125
2981 1 5 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.204 1.195 25125
2982 1 5 . 1 1 42 42 ALA H H 42 7.604 7.604 7.212 0.392 25125
2983 1 5 . 1 1 43 43 LEU N N 43 119.131 119.131 118.661 0.470 25125
2984 1 5 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.936 1.270 25125
2985 1 5 . 1 1 43 43 LEU C C 43 177.421 177.421 179.119 -1.698 25125
2986 1 5 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.449 -1.904 25125
2987 1 5 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.032 1.572 25125
2988 1 5 . 1 1 43 43 LEU H H 43 8.288 8.288 8.039 0.249 25125
2989 1 5 . 1 1 44 44 ALA N N 44 119.065 119.065 118.619 0.446 25125
2990 1 5 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.150 0.079 25125
2991 1 5 . 1 1 44 44 ALA C C 44 178.686 178.686 178.521 0.165 25125
2992 1 5 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.883 0.355 25125
2993 1 5 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.314 0.202 25125
2994 1 5 . 1 1 44 44 ALA H H 44 7.302 7.302 7.649 -0.347 25125
2995 1 5 . 1 1 45 45 SER N N 45 108.656 108.656 114.530 -5.874 25125
2996 1 5 . 1 1 45 45 SER HA H 45 4.742 4.742 4.363 0.379 25125
2997 1 5 . 1 1 45 45 SER C C 45 173.296 173.296 176.154 -2.858 25125
2998 1 5 . 1 1 45 45 SER CA C 45 58.656 58.656 60.783 -2.127 25125
2999 1 5 . 1 1 45 45 SER CB C 45 65.407 65.407 63.777 1.630 25125
3000 1 5 . 1 1 45 45 SER H H 45 7.728 7.728 8.131 -0.403 25125
3001 1 5 . 1 1 46 46 LYS N N 46 123.016 123.016 117.367 5.649 25125
3002 1 5 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.616 -0.030 25125
3003 1 5 . 1 1 46 46 LYS C C 46 172.719 172.719 175.597 -2.878 25125
3004 1 5 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.319 -0.807 25125
3005 1 5 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.078 2.147 25125
3006 1 5 . 1 1 46 46 LYS H H 46 8.101 8.101 8.034 0.067 25125
3007 1 5 . 1 1 47 47 THR N N 47 111.780 111.780 114.362 -2.582 25125
3008 1 5 . 1 1 47 47 THR HA H 47 4.282 4.282 3.858 0.424 25125
3009 1 5 . 1 1 47 47 THR CA C 47 57.806 57.806 62.269 -4.463 25125
3010 1 5 . 1 1 47 47 THR CB C 47 70.594 70.594 67.932 2.662 25125
3011 1 5 . 1 1 47 47 THR H H 47 7.677 7.677 7.830 -0.153 25125
3012 1 5 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.894 0.011 25125
3013 1 5 . 1 1 48 48 PRO C C 48 172.966 172.966 175.572 -2.606 25125
3014 1 5 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.267 -1.402 25125
3015 1 5 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.627 -1.350 25125
3016 1 5 . 1 1 49 49 ASP N N 49 115.035 115.035 118.781 -3.746 25125
3017 1 5 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.597 -0.153 25125
3018 1 5 . 1 1 49 49 ASP C C 49 175.634 175.634 175.198 0.436 25125
3019 1 5 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.687 0.760 25125
3020 1 5 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.071 0.441 25125
3021 1 5 . 1 1 49 49 ASP H H 49 8.502 8.502 8.238 0.264 25125
3022 1 5 . 1 1 50 50 VAL N N 50 112.082 112.082 114.209 -2.127 25125
3023 1 5 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.495 -0.215 25125
3024 1 5 . 1 1 50 50 VAL C C 50 171.454 171.454 172.872 -1.418 25125
3025 1 5 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.625 -1.063 25125
3026 1 5 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.701 -0.065 25125
3027 1 5 . 1 1 50 50 VAL H H 50 7.173 7.173 7.070 0.103 25125
3028 1 5 . 1 1 51 51 LEU N N 51 128.247 128.247 125.420 2.827 25125
3029 1 5 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.410 -0.091 25125
3030 1 5 . 1 1 51 51 LEU C C 51 173.104 173.104 174.951 -1.847 25125
3031 1 5 . 1 1 51 51 LEU CA C 51 53.218 53.218 52.925 0.293 25125
3032 1 5 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.883 -0.377 25125
3033 1 5 . 1 1 51 51 LEU H H 51 8.059 8.059 8.062 -0.003 25125
3034 1 5 . 1 1 52 52 LEU N N 52 128.407 128.407 120.509 7.898 25125
3035 1 5 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.243 0.258 25125
3036 1 5 . 1 1 52 52 LEU C C 52 175.414 175.414 175.780 -0.366 25125
3037 1 5 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.254 0.069 25125
3038 1 5 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.673 1.848 25125
3039 1 5 . 1 1 52 52 LEU H H 52 9.242 9.242 8.291 0.951 25125
3040 1 5 . 1 1 53 53 SER N N 53 114.946 114.946 117.943 -2.997 25125
3041 1 5 . 1 1 53 53 SER HA H 53 5.595 5.595 5.287 0.308 25125
3042 1 5 . 1 1 53 53 SER C C 53 174.644 174.644 174.302 0.342 25125
3043 1 5 . 1 1 53 53 SER CA C 53 55.954 55.954 56.243 -0.289 25125
3044 1 5 . 1 1 53 53 SER CB C 53 66.473 66.473 65.680 0.793 25125
3045 1 5 . 1 1 53 53 SER H H 53 8.695 8.695 7.955 0.740 25125
3046 1 5 . 1 1 54 54 ASP N N 54 128.341 128.341 127.485 0.856 25125
3047 1 5 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.840 0.485 25125
3048 1 5 . 1 1 54 54 ASP C C 54 176.816 176.816 175.958 0.858 25125
3049 1 5 . 1 1 54 54 ASP CA C 54 54.493 54.493 54.365 0.128 25125
3050 1 5 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.234 0.094 25125
3051 1 5 . 1 1 54 54 ASP H H 54 7.886 7.886 8.175 -0.289 25125
3052 1 5 . 1 1 55 55 ILE N N 55 121.229 121.229 118.755 2.474 25125
3053 1 5 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.703 0.482 25125
3054 1 5 . 1 1 55 55 ILE C C 55 175.084 175.084 174.248 0.836 25125
3055 1 5 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.326 -0.784 25125
3056 1 5 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.143 2.886 25125
3057 1 5 . 1 1 55 55 ILE H H 55 8.722 8.722 7.572 1.150 25125
3058 1 5 . 1 1 56 56 ARG N N 56 124.188 124.188 124.794 -0.606 25125
3059 1 5 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.534 -0.029 25125
3060 1 5 . 1 1 56 56 ARG C C 56 175.661 175.661 175.018 0.643 25125
3061 1 5 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.815 -0.374 25125
3062 1 5 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.560 -1.198 25125
3063 1 5 . 1 1 56 56 ARG H H 56 8.499 8.499 8.602 -0.103 25125
3064 1 5 . 1 1 57 57 MET N N 57 122.581 122.581 118.946 3.635 25125
3065 1 5 . 1 1 57 57 MET HA H 57 4.821 4.821 5.339 -0.518 25125
3066 1 5 . 1 1 57 57 MET CA C 57 53.132 53.132 52.068 1.064 25125
3067 1 5 . 1 1 57 57 MET CB C 57 33.445 33.445 32.930 0.515 25125
3068 1 5 . 1 1 57 57 MET H H 57 7.956 7.956 7.959 -0.003 25125
3069 1 5 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.323 0.070 25125
3070 1 5 . 1 1 58 58 PRO C C 58 177.806 177.806 177.746 0.060 25125
3071 1 5 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.927 -1.429 25125
3072 1 5 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.700 0.107 25125
3073 1 5 . 1 1 59 59 GLY N N 59 111.082 111.082 108.499 2.583 25125
3074 1 5 . 1 1 59 59 GLY C C 59 173.626 173.626 174.454 -0.828 25125
3075 1 5 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.292 0.298 25125
3076 1 5 . 1 1 59 59 GLY H H 59 8.653 8.653 8.458 0.195 25125
3077 1 5 . 1 1 60 60 MET N N 60 120.052 120.052 119.711 0.341 25125
3078 1 5 . 1 1 60 60 MET HA H 60 4.525 4.525 4.512 0.013 25125
3079 1 5 . 1 1 60 60 MET C C 60 173.956 173.956 175.284 -1.328 25125
3080 1 5 . 1 1 60 60 MET CA C 60 55.047 55.047 55.865 -0.818 25125
3081 1 5 . 1 1 60 60 MET CB C 60 34.506 34.506 34.072 0.435 25125
3082 1 5 . 1 1 60 60 MET H H 60 7.968 7.968 7.925 0.043 25125
3083 1 5 . 1 1 61 61 ASP N N 61 121.306 121.306 120.597 0.709 25125
3084 1 5 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.674 0.030 25125
3085 1 5 . 1 1 61 61 ASP C C 61 176.761 176.761 177.501 -0.740 25125
3086 1 5 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.458 -0.729 25125
3087 1 5 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.071 -0.002 25125
3088 1 5 . 1 1 61 61 ASP H H 61 8.379 8.379 8.673 -0.294 25125
3089 1 5 . 1 1 62 62 GLY N N 62 110.874 110.874 107.892 2.982 25125
3090 1 5 . 1 1 62 62 GLY C C 62 175.194 175.194 175.534 -0.340 25125
3091 1 5 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.052 1.049 25125
3092 1 5 . 1 1 62 62 GLY H H 62 8.707 8.707 8.067 0.640 25125
3093 1 5 . 1 1 63 63 LEU N N 63 121.299 121.299 122.598 -1.299 25125
3094 1 5 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.222 -0.045 25125
3095 1 5 . 1 1 63 63 LEU C C 63 178.356 178.356 178.408 -0.052 25125
3096 1 5 . 1 1 63 63 LEU CA C 63 56.878 56.878 56.538 0.340 25125
3097 1 5 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.270 0.968 25125
3098 1 5 . 1 1 63 63 LEU H H 63 8.045 8.045 7.683 0.362 25125
3099 1 5 . 1 1 64 64 ALA N N 64 122.741 122.741 123.293 -0.552 25125
3100 1 5 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.024 0.038 25125
3101 1 5 . 1 1 64 64 ALA C C 64 180.556 180.556 178.717 1.839 25125
3102 1 5 . 1 1 64 64 ALA CA C 64 54.615 54.615 54.934 -0.320 25125
3103 1 5 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.056 -0.056 25125
3104 1 5 . 1 1 64 64 ALA H H 64 7.859 7.859 8.040 -0.181 25125
3105 1 5 . 1 1 65 65 LEU N N 65 120.287 120.287 114.696 5.591 25125
3106 1 5 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.448 -0.386 25125
3107 1 5 . 1 1 65 65 LEU C C 65 178.191 178.191 179.082 -0.891 25125
3108 1 5 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.364 1.655 25125
3109 1 5 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.289 -1.051 25125
3110 1 5 . 1 1 65 65 LEU H H 65 8.022 8.022 7.629 0.393 25125
3111 1 5 . 1 1 66 66 LEU N N 66 118.738 118.738 121.216 -2.478 25125
3112 1 5 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.171 -0.313 25125
3113 1 5 . 1 1 66 66 LEU C C 66 178.631 178.631 178.542 0.089 25125
3114 1 5 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.431 1.915 25125
3115 1 5 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.674 0.564 25125
3116 1 5 . 1 1 66 66 LEU H H 66 8.101 8.101 7.690 0.411 25125
3117 1 5 . 1 1 67 67 LYS N N 67 117.842 117.842 118.401 -0.559 25125
3118 1 5 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.105 -0.123 25125
3119 1 5 . 1 1 67 67 LYS C C 67 179.263 179.263 178.806 0.457 25125
3120 1 5 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.020 0.777 25125
3121 1 5 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.281 -0.074 25125
3122 1 5 . 1 1 67 67 LYS H H 67 8.010 8.010 8.193 -0.183 25125
3123 1 5 . 1 1 68 68 GLN N N 68 118.875 118.875 118.488 0.387 25125
3124 1 5 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.210 -0.154 25125
3125 1 5 . 1 1 68 68 GLN C C 68 179.071 179.071 177.728 1.343 25125
3126 1 5 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.239 0.835 25125
3127 1 5 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.645 -0.035 25125
3128 1 5 . 1 1 68 68 GLN H H 68 7.809 7.809 7.724 0.085 25125
3129 1 5 . 1 1 69 69 ILE N N 69 120.377 120.377 121.482 -1.105 25125
3130 1 5 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.918 -0.388 25125
3131 1 5 . 1 1 69 69 ILE C C 69 177.421 177.421 178.238 -0.817 25125
3132 1 5 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.049 0.829 25125
3133 1 5 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.735 -0.151 25125
3134 1 5 . 1 1 69 69 ILE H H 69 8.481 8.481 7.520 0.961 25125
3135 1 5 . 1 1 70 70 LYS N N 70 117.873 117.873 117.961 -0.088 25125
3136 1 5 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.192 -0.232 25125
3137 1 5 . 1 1 70 70 LYS C C 70 178.053 178.053 177.780 0.273 25125
3138 1 5 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.491 -1.403 25125
3139 1 5 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.349 -1.137 25125
3140 1 5 . 1 1 70 70 LYS H H 70 8.220 8.220 7.776 0.444 25125
3141 1 5 . 1 1 71 71 GLN N N 71 116.315 116.315 116.466 -0.151 25125
3142 1 5 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.173 -0.181 25125
3143 1 5 . 1 1 71 71 GLN C C 71 177.366 177.366 177.325 0.041 25125
3144 1 5 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.914 0.276 25125
3145 1 5 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.515 -0.850 25125
3146 1 5 . 1 1 71 71 GLN H H 71 7.601 7.601 7.697 -0.096 25125
3147 1 5 . 1 1 72 72 ARG N N 72 116.530 116.530 118.317 -1.787 25125
3148 1 5 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.261 -0.231 25125
3149 1 5 . 1 1 72 72 ARG C C 72 175.826 175.826 176.501 -0.675 25125
3150 1 5 . 1 1 72 72 ARG CA C 72 57.222 57.222 56.696 0.526 25125
3151 1 5 . 1 1 72 72 ARG CB C 72 31.802 31.802 32.208 -0.406 25125
3152 1 5 . 1 1 72 72 ARG H H 72 7.301 7.301 7.959 -0.658 25125
3153 1 5 . 1 1 73 73 HIS N N 73 116.755 116.755 117.727 -0.972 25125
3154 1 5 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.010 -0.050 25125
3155 1 5 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.529 -0.311 25125
3156 1 5 . 1 1 73 73 HIS CB C 73 30.562 30.562 29.670 0.892 25125
3157 1 5 . 1 1 73 73 HIS H H 73 8.331 8.331 7.834 0.497 25125
3158 1 5 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.327 0.172 25125
3159 1 5 . 1 1 74 74 PRO C C 74 178.466 178.466 178.003 0.463 25125
3160 1 5 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.390 -0.277 25125
3161 1 5 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.181 -0.086 25125
3162 1 5 . 1 1 75 75 MET N N 75 114.814 114.814 114.148 0.666 25125
3163 1 5 . 1 1 75 75 MET HA H 75 4.567 4.567 4.449 0.118 25125
3164 1 5 . 1 1 75 75 MET C C 75 176.046 176.046 176.048 -0.002 25125
3165 1 5 . 1 1 75 75 MET CA C 75 54.266 54.266 56.414 -2.148 25125
3166 1 5 . 1 1 75 75 MET CB C 75 31.288 31.288 31.991 -0.703 25125
3167 1 5 . 1 1 75 75 MET H H 75 8.623 8.623 7.911 0.712 25125
3168 1 5 . 1 1 76 76 LEU N N 76 125.533 125.533 123.576 1.957 25125
3169 1 5 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.696 -0.391 25125
3170 1 5 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.321 1.791 25125
3171 1 5 . 1 1 76 76 LEU CB C 76 43.685 43.685 42.929 0.756 25125
3172 1 5 . 1 1 76 76 LEU H H 76 7.337 7.337 7.163 0.174 25125
3173 1 5 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.519 -0.073 25125
3174 1 5 . 1 1 77 77 PRO C C 77 174.974 174.974 175.288 -0.314 25125
3175 1 5 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.602 0.225 25125
3176 1 5 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.427 -0.705 25125
3177 1 5 . 1 1 78 78 VAL N N 78 123.779 123.779 121.055 2.724 25125
3178 1 5 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.507 0.517 25125
3179 1 5 . 1 1 78 78 VAL C C 78 175.441 175.441 175.794 -0.353 25125
3180 1 5 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.809 -0.615 25125
3181 1 5 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.706 -1.412 25125
3182 1 5 . 1 1 78 78 VAL H H 78 8.317 8.317 8.188 0.129 25125
3183 1 5 . 1 1 79 79 ILE N N 79 128.334 128.334 124.586 3.748 25125
3184 1 5 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.763 -0.282 25125
3185 1 5 . 1 1 79 79 ILE C C 79 174.479 174.479 174.851 -0.372 25125
3186 1 5 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.357 -0.835 25125
3187 1 5 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.008 -2.045 25125
3188 1 5 . 1 1 79 79 ILE H H 79 9.292 9.292 8.806 0.486 25125
3189 1 5 . 1 1 80 80 ILE N N 80 127.023 127.023 125.872 1.151 25125
3190 1 5 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.375 0.484 25125
3191 1 5 . 1 1 80 80 ILE C C 80 175.029 175.029 175.008 0.021 25125
3192 1 5 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.697 -1.540 25125
3193 1 5 . 1 1 80 80 ILE CB C 80 37.944 37.944 38.998 -1.054 25125
3194 1 5 . 1 1 80 80 ILE H H 80 7.938 7.938 8.842 -0.904 25125
3195 1 5 . 1 1 81 81 MET N N 81 127.255 127.255 124.800 2.455 25125
3196 1 5 . 1 1 81 81 MET HA H 81 5.521 5.521 5.344 0.177 25125
3197 1 5 . 1 1 81 81 MET C C 81 174.534 174.534 175.561 -1.027 25125
3198 1 5 . 1 1 81 81 MET CA C 81 53.513 53.513 55.244 -1.731 25125
3199 1 5 . 1 1 81 81 MET CB C 81 35.483 35.483 36.153 -0.670 25125
3200 1 5 . 1 1 81 81 MET H H 81 8.801 8.801 8.838 -0.037 25125
3201 1 5 . 1 1 82 82 THR N N 82 112.857 112.857 116.882 -4.025 25125
3202 1 5 . 1 1 82 82 THR HA H 82 4.914 4.914 4.452 0.462 25125
3203 1 5 . 1 1 82 82 THR C C 82 172.581 172.581 174.283 -1.702 25125
3204 1 5 . 1 1 82 82 THR CA C 82 59.561 59.561 63.752 -4.191 25125
3205 1 5 . 1 1 82 82 THR CB C 82 69.989 69.989 69.350 0.639 25125
3206 1 5 . 1 1 82 82 THR H H 82 7.623 7.623 8.544 -0.921 25125
3207 1 5 . 1 1 83 83 ALA N N 83 129.541 129.541 123.845 5.696 25125
3208 1 5 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.967 0.741 25125
3209 1 5 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.203 -1.665 25125
3210 1 5 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.927 2.220 25125
3211 1 5 . 1 1 83 83 ALA H H 83 9.149 9.149 8.322 0.827 25125
3212 1 5 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.487 -0.215 25125
3213 1 5 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.189 4.511 25125
3214 1 5 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.418 0.600 25125
3215 1 5 . 1 1 85 85 SER N N 85 112.633 112.633 116.642 -4.009 25125
3216 1 5 . 1 1 85 85 SER HA H 85 4.198 4.198 3.996 0.202 25125
3217 1 5 . 1 1 85 85 SER C C 85 174.506 174.506 173.390 1.116 25125
3218 1 5 . 1 1 85 85 SER CA C 85 59.823 59.823 60.406 -0.583 25125
3219 1 5 . 1 1 85 85 SER CB C 85 62.693 62.693 62.341 0.352 25125
3220 1 5 . 1 1 85 85 SER H H 85 8.224 8.224 8.672 -0.448 25125
3221 1 5 . 1 1 86 86 ASP N N 86 120.886 120.886 123.974 -3.088 25125
3222 1 5 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.405 0.531 25125
3223 1 5 . 1 1 86 86 ASP C C 86 175.881 175.881 176.569 -0.688 25125
3224 1 5 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.408 -1.474 25125
3225 1 5 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.798 1.205 25125
3226 1 5 . 1 1 86 86 ASP H H 86 7.608 7.608 8.213 -0.605 25125
3227 1 5 . 1 1 87 87 LEU N N 87 121.913 121.913 121.429 0.484 25125
3228 1 5 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.766 0.153 25125
3229 1 5 . 1 1 87 87 LEU C C 87 177.586 177.586 177.679 -0.093 25125
3230 1 5 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.392 -0.555 25125
3231 1 5 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.907 0.408 25125
3232 1 5 . 1 1 87 87 LEU H H 87 7.498 7.498 7.409 0.089 25125
3233 1 5 . 1 1 88 88 ASP N N 88 117.621 117.621 118.137 -0.516 25125
3234 1 5 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.174 0.098 25125
3235 1 5 . 1 1 88 88 ASP C C 88 178.246 178.246 177.454 0.792 25125
3236 1 5 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.537 -0.727 25125
3237 1 5 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.696 -0.562 25125
3238 1 5 . 1 1 88 88 ASP H H 88 8.322 8.322 8.827 -0.505 25125
3239 1 5 . 1 1 89 89 ALA N N 89 122.874 122.874 120.467 2.407 25125
3240 1 5 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.346 -0.252 25125
3241 1 5 . 1 1 89 89 ALA C C 89 179.346 179.346 179.177 0.169 25125
3242 1 5 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.251 -0.098 25125
3243 1 5 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.605 -0.344 25125
3244 1 5 . 1 1 89 89 ALA H H 89 7.838 7.838 7.257 0.581 25125
3245 1 5 . 1 1 90 90 ALA N N 90 121.673 121.673 121.767 -0.094 25125
3246 1 5 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.141 -0.208 25125
3247 1 5 . 1 1 90 90 ALA C C 90 178.686 178.686 180.263 -1.577 25125
3248 1 5 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.731 -0.068 25125
3249 1 5 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.155 0.227 25125
3250 1 5 . 1 1 90 90 ALA H H 90 7.896 7.896 7.630 0.266 25125
3251 1 5 . 1 1 91 91 VAL N N 91 117.749 117.749 119.252 -1.503 25125
3252 1 5 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.013 -0.401 25125
3253 1 5 . 1 1 91 91 VAL C C 91 178.411 178.411 177.246 1.165 25125
3254 1 5 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.340 -1.159 25125
3255 1 5 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.624 0.013 25125
3256 1 5 . 1 1 91 91 VAL H H 91 8.098 8.098 8.606 -0.508 25125
3257 1 5 . 1 1 92 92 SER N N 92 114.942 114.942 113.920 1.022 25125
3258 1 5 . 1 1 92 92 SER HA H 92 4.231 4.231 4.425 -0.194 25125
3259 1 5 . 1 1 92 92 SER C C 92 175.826 175.826 175.217 0.609 25125
3260 1 5 . 1 1 92 92 SER CA C 92 60.649 60.649 59.948 0.701 25125
3261 1 5 . 1 1 92 92 SER CB C 92 63.063 63.063 64.205 -1.142 25125
3262 1 5 . 1 1 92 92 SER H H 92 7.825 7.825 7.911 -0.086 25125
3263 1 5 . 1 1 93 93 ALA N N 93 122.580 122.580 123.037 -0.457 25125
3264 1 5 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.196 -0.139 25125
3265 1 5 . 1 1 93 93 ALA C C 93 178.906 178.906 179.724 -0.818 25125
3266 1 5 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.566 -0.249 25125
3267 1 5 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.634 -0.337 25125
3268 1 5 . 1 1 93 93 ALA H H 93 7.861 7.861 8.125 -0.264 25125
3269 1 5 . 1 1 94 94 TYR N N 94 118.447 118.447 120.550 -2.103 25125
3270 1 5 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.297 0.195 25125
3271 1 5 . 1 1 94 94 TYR C C 94 177.393 177.393 177.395 -0.002 25125
3272 1 5 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.876 -0.625 25125
3273 1 5 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.418 0.016 25125
3274 1 5 . 1 1 94 94 TYR H H 94 8.150 8.150 7.862 0.288 25125
3275 1 5 . 1 1 95 95 GLN N N 95 119.787 119.787 116.051 3.736 25125
3276 1 5 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.065 -0.022 25125
3277 1 5 . 1 1 95 95 GLN C C 95 176.981 176.981 176.676 0.305 25125
3278 1 5 . 1 1 95 95 GLN CA C 95 57.466 57.466 57.042 0.423 25125
3279 1 5 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.710 0.379 25125
3280 1 5 . 1 1 95 95 GLN H H 95 8.271 8.271 8.185 0.086 25125
3281 1 5 . 1 1 96 96 GLN N N 96 117.878 117.878 118.030 -0.152 25125
3282 1 5 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.222 0.123 25125
3283 1 5 . 1 1 96 96 GLN C C 96 175.854 175.854 176.579 -0.725 25125
3284 1 5 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.531 -0.360 25125
3285 1 5 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.402 0.073 25125
3286 1 5 . 1 1 96 96 GLN H H 96 7.944 7.944 7.684 0.260 25125
3287 1 5 . 1 1 97 97 GLY N N 97 106.670 106.670 105.813 0.857 25125
3288 1 5 . 1 1 97 97 GLY C C 97 174.231 174.231 173.189 1.042 25125
3289 1 5 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.613 0.873 25125
3290 1 5 . 1 1 97 97 GLY H H 97 7.949 7.949 7.720 0.229 25125
3291 1 5 . 1 1 98 98 ALA N N 98 122.898 122.898 122.424 0.474 25125
3292 1 5 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.448 -0.073 25125
3293 1 5 . 1 1 98 98 ALA C C 98 175.991 175.991 175.489 0.502 25125
3294 1 5 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.273 1.895 25125
3295 1 5 . 1 1 98 98 ALA CB C 98 18.969 18.969 19.925 -0.956 25125
3296 1 5 . 1 1 98 98 ALA H H 98 7.808 7.808 7.208 0.600 25125
3297 1 5 . 1 1 99 99 PHE N N 99 123.484 123.484 118.358 5.126 25125
3298 1 5 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.546 -0.196 25125
3299 1 5 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.072 2.385 25125
3300 1 5 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.736 -1.296 25125
3301 1 5 . 1 1 99 99 PHE H H 99 7.704 7.704 8.126 -0.422 25125
3302 1 5 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.873 0.631 25125
3303 1 5 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.676 -1.194 25125
3304 1 5 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.789 3.411 25125
3305 1 5 . 1 1 101 101 TYR N N 101 118.148 118.148 120.519 -2.371 25125
3306 1 5 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.506 0.942 25125
3307 1 5 . 1 1 101 101 TYR C C 101 173.159 173.159 174.717 -1.558 25125
3308 1 5 . 1 1 101 101 TYR CA C 101 55.987 55.987 55.683 0.304 25125
3309 1 5 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.872 3.026 25125
3310 1 5 . 1 1 101 101 TYR H H 101 9.546 9.546 7.338 2.208 25125
3311 1 5 . 1 1 102 102 LEU N N 102 124.100 124.100 122.088 2.012 25125
3312 1 5 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.062 -0.342 25125
3313 1 5 . 1 1 102 102 LEU CA C 102 50.499 50.499 50.944 -0.445 25125
3314 1 5 . 1 1 102 102 LEU CB C 102 45.061 45.061 44.579 0.482 25125
3315 1 5 . 1 1 102 102 LEU H H 102 8.901 8.901 8.688 0.213 25125
3316 1 5 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.553 0.340 25125
3317 1 5 . 1 1 103 103 PRO C C 103 175.524 175.524 175.693 -0.169 25125
3318 1 5 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.765 -0.880 25125
3319 1 5 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.524 -0.717 25125
3320 1 5 . 1 1 104 104 LYS N N 104 118.848 118.848 120.584 -1.736 25125
3321 1 5 . 1 1 104 104 LYS HA H 104 4.513 4.513 5.048 -0.535 25125
3322 1 5 . 1 1 104 104 LYS CA C 104 53.218 53.218 52.784 0.434 25125
3323 1 5 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.562 2.182 25125
3324 1 5 . 1 1 104 104 LYS H H 104 8.279 8.279 8.245 0.034 25125
3325 1 5 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.338 -0.039 25125
3326 1 5 . 1 1 105 105 PRO C C 105 175.001 175.001 175.883 -0.882 25125
3327 1 5 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.670 -0.276 25125
3328 1 5 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.102 1.993 25125
3329 1 5 . 1 1 106 106 PHE N N 106 116.607 116.607 116.068 0.539 25125
3330 1 5 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.697 0.473 25125
3331 1 5 . 1 1 106 106 PHE C C 106 175.221 175.221 174.201 1.020 25125
3332 1 5 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.118 -2.683 25125
3333 1 5 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.355 0.045 25125
3334 1 5 . 1 1 106 106 PHE H H 106 7.457 7.457 7.637 -0.180 25125
3335 1 5 . 1 1 107 107 ASP N N 107 122.214 122.214 122.145 0.069 25125
3336 1 5 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.005 -0.173 25125
3337 1 5 . 1 1 107 107 ASP C C 107 177.778 177.778 176.929 0.849 25125
3338 1 5 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.842 -0.600 25125
3339 1 5 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.683 0.914 25125
3340 1 5 . 1 1 107 107 ASP H H 107 9.022 9.022 8.590 0.432 25125
3341 1 5 . 1 1 108 108 ILE N N 108 127.706 127.706 124.887 2.819 25125
3342 1 5 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.775 0.190 25125
3343 1 5 . 1 1 108 108 ILE C C 108 176.046 176.046 177.370 -1.324 25125
3344 1 5 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.787 -1.798 25125
3345 1 5 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.115 -0.361 25125
3346 1 5 . 1 1 108 108 ILE H H 108 8.860 8.860 8.800 0.060 25125
3347 1 5 . 1 1 109 109 ASP N N 109 120.058 120.058 119.336 0.722 25125
3348 1 5 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.349 0.039 25125
3349 1 5 . 1 1 109 109 ASP C C 109 179.786 179.786 178.703 1.083 25125
3350 1 5 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.582 -0.088 25125
3351 1 5 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.507 -0.453 25125
3352 1 5 . 1 1 109 109 ASP H H 109 8.079 8.079 8.528 -0.449 25125
3353 1 5 . 1 1 110 110 GLU N N 110 121.559 121.559 119.307 2.252 25125
3354 1 5 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.206 -0.138 25125
3355 1 5 . 1 1 110 110 GLU C C 110 179.043 179.043 178.380 0.663 25125
3356 1 5 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.557 0.269 25125
3357 1 5 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.712 -0.369 25125
3358 1 5 . 1 1 110 110 GLU H H 110 8.012 8.012 8.070 -0.058 25125
3359 1 5 . 1 1 111 111 ALA N N 111 122.267 122.267 123.287 -1.020 25125
3360 1 5 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.980 -0.226 25125
3361 1 5 . 1 1 111 111 ALA C C 111 178.493 178.493 179.470 -0.977 25125
3362 1 5 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.217 -0.044 25125
3363 1 5 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.282 0.100 25125
3364 1 5 . 1 1 111 111 ALA H H 111 7.897 7.897 7.817 0.080 25125
3365 1 5 . 1 1 112 112 VAL N N 112 116.527 116.527 117.914 -1.387 25125
3366 1 5 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.528 -0.361 25125
3367 1 5 . 1 1 112 112 VAL C C 112 177.201 177.201 177.761 -0.560 25125
3368 1 5 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.496 0.648 25125
3369 1 5 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.621 -0.069 25125
3370 1 5 . 1 1 112 112 VAL H H 112 8.018 8.018 8.427 -0.409 25125
3371 1 5 . 1 1 113 113 ALA N N 113 119.895 119.895 120.906 -1.011 25125
3372 1 5 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.360 -0.222 25125
3373 1 5 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.239 0.593 25125
3374 1 5 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.611 -0.739 25125
3375 1 5 . 1 1 113 113 ALA H H 113 7.673 7.673 7.397 0.276 25125
3376 1 5 . 1 1 114 114 LEU N N 114 120.650 120.650 120.606 0.044 25125
3377 1 5 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.135 -0.052 25125
3378 1 5 . 1 1 114 114 LEU C C 114 178.466 178.466 178.541 -0.075 25125
3379 1 5 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.685 0.335 25125
3380 1 5 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.106 -0.273 25125
3381 1 5 . 1 1 114 114 LEU H H 114 7.840 7.840 7.809 0.032 25125
3382 1 5 . 1 1 115 115 VAL N N 115 119.480 119.480 118.228 1.252 25125
3383 1 5 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.536 -0.324 25125
3384 1 5 . 1 1 115 115 VAL C C 115 177.448 177.448 177.059 0.389 25125
3385 1 5 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.972 1.229 25125
3386 1 5 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.834 -1.162 25125
3387 1 5 . 1 1 115 115 VAL H H 115 7.824 7.824 8.033 -0.209 25125
3388 1 5 . 1 1 116 116 GLU N N 116 117.473 117.473 119.396 -1.923 25125
3389 1 5 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.891 -0.102 25125
3390 1 5 . 1 1 116 116 GLU C C 116 179.566 179.566 178.715 0.851 25125
3391 1 5 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.787 0.143 25125
3392 1 5 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.187 -0.091 25125
3393 1 5 . 1 1 116 116 GLU H H 116 8.465 8.465 7.598 0.867 25125
3394 1 5 . 1 1 117 117 ARG N N 117 120.128 120.128 119.364 0.764 25125
3395 1 5 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.039 0.025 25125
3396 1 5 . 1 1 117 117 ARG C C 117 178.438 178.438 176.985 1.453 25125
3397 1 5 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.912 0.366 25125
3398 1 5 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.067 0.210 25125
3399 1 5 . 1 1 117 117 ARG H H 117 8.012 8.012 7.628 0.385 25125
3400 1 5 . 1 1 118 118 ALA N N 118 122.270 122.270 120.692 1.578 25125
3401 1 5 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.909 -0.453 25125
3402 1 5 . 1 1 118 118 ALA C C 118 178.741 178.741 178.815 -0.074 25125
3403 1 5 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.715 0.862 25125
3404 1 5 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.155 -0.997 25125
3405 1 5 . 1 1 118 118 ALA H H 118 7.958 7.958 7.112 0.846 25125
3406 1 5 . 1 1 119 119 ILE N N 119 115.269 115.269 118.214 -2.945 25125
3407 1 5 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.819 -0.091 25125
3408 1 5 . 1 1 119 119 ILE C C 119 177.366 177.366 178.604 -1.238 25125
3409 1 5 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.806 -1.137 25125
3410 1 5 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.003 -0.205 25125
3411 1 5 . 1 1 119 119 ILE H H 119 7.753 7.753 7.861 -0.108 25125
3412 1 5 . 1 1 120 120 SER N N 120 115.135 115.135 114.803 0.332 25125
3413 1 5 . 1 1 120 120 SER HA H 120 4.275 4.275 4.161 0.114 25125
3414 1 5 . 1 1 120 120 SER C C 120 175.084 175.084 176.429 -1.345 25125
3415 1 5 . 1 1 120 120 SER CA C 120 59.816 59.816 61.553 -1.737 25125
3416 1 5 . 1 1 120 120 SER CB C 120 63.380 63.380 62.316 1.064 25125
3417 1 5 . 1 1 120 120 SER H H 120 7.816 7.816 8.448 -0.632 25125
3418 1 5 . 1 1 121 121 HIS N N 121 119.908 119.908 119.722 0.186 25125
3419 1 5 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.341 0.081 25125
3420 1 5 . 1 1 121 121 HIS C C 121 175.029 175.029 175.395 -0.366 25125
3421 1 5 . 1 1 121 121 HIS CA C 121 57.236 57.236 57.958 -0.722 25125
3422 1 5 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.117 0.311 25125
3423 1 5 . 1 1 121 121 HIS H H 121 7.910 7.910 7.658 0.252 25125
3424 1 5 . 1 1 122 122 TYR N N 122 118.880 118.880 115.795 3.085 25125
3425 1 5 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.813 -0.387 25125
3426 1 5 . 1 1 122 122 TYR C C 122 175.276 175.276 175.035 0.241 25125
3427 1 5 . 1 1 122 122 TYR CA C 122 58.449 58.449 57.786 0.663 25125
3428 1 5 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.672 -0.069 25125
3429 1 5 . 1 1 122 122 TYR H H 122 7.766 7.766 7.840 -0.074 25125
3430 1 5 . 1 1 123 123 GLN N N 123 121.479 121.479 117.468 4.011 25125
3431 1 5 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.393 -0.123 25125
3432 1 5 . 1 1 123 123 GLN C C 123 174.534 174.534 175.454 -0.920 25125
3433 1 5 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.769 -0.257 25125
3434 1 5 . 1 1 123 123 GLN CB C 123 29.768 29.768 31.743 -1.975 25125
3435 1 5 . 1 1 123 123 GLN H H 123 7.878 7.878 8.032 -0.154 25125
3436 1 6 . 1 1 2 2 GLN HA H 2 4.433 4.433 3.907 0.526 25125
3437 1 6 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.194 -0.630 25125
3438 1 6 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.315 2.285 25125
3439 1 6 . 1 1 3 3 ARG N N 3 121.252 121.252 117.100 4.152 25125
3440 1 6 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.093 0.272 25125
3441 1 6 . 1 1 3 3 ARG C C 3 175.634 175.634 175.443 0.191 25125
3442 1 6 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.786 -0.795 25125
3443 1 6 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.253 1.044 25125
3444 1 6 . 1 1 3 3 ARG H H 3 8.429 8.429 8.199 0.230 25125
3445 1 6 . 1 1 4 4 GLY N N 4 107.663 107.663 106.557 1.106 25125
3446 1 6 . 1 1 4 4 GLY C C 4 171.041 171.041 173.371 -2.330 25125
3447 1 6 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.392 0.924 25125
3448 1 6 . 1 1 4 4 GLY H H 4 7.963 7.963 7.660 0.303 25125
3449 1 6 . 1 1 5 5 ILE N N 5 122.603 122.603 124.530 -1.927 25125
3450 1 6 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.013 0.686 25125
3451 1 6 . 1 1 5 5 ILE C C 5 175.359 175.359 174.855 0.504 25125
3452 1 6 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.587 -0.977 25125
3453 1 6 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.376 0.200 25125
3454 1 6 . 1 1 5 5 ILE H H 5 9.610 9.610 8.333 1.277 25125
3455 1 6 . 1 1 6 6 VAL N N 6 127.905 127.905 124.613 3.292 25125
3456 1 6 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.946 -0.134 25125
3457 1 6 . 1 1 6 6 VAL C C 6 174.204 174.204 175.131 -0.927 25125
3458 1 6 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.790 -1.231 25125
3459 1 6 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.793 0.733 25125
3460 1 6 . 1 1 6 6 VAL H H 6 9.090 9.090 7.898 1.192 25125
3461 1 6 . 1 1 7 7 TRP N N 7 127.467 127.467 126.952 0.515 25125
3462 1 6 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.336 1.118 25125
3463 1 6 . 1 1 7 7 TRP C C 7 175.056 175.056 175.142 -0.086 25125
3464 1 6 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.352 -1.474 25125
3465 1 6 . 1 1 7 7 TRP CB C 7 33.134 33.134 33.056 0.077 25125
3466 1 6 . 1 1 7 7 TRP H H 7 8.497 8.497 8.535 -0.038 25125
3467 1 6 . 1 1 8 8 VAL N N 8 122.068 122.068 117.732 4.336 25125
3468 1 6 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.686 0.400 25125
3469 1 6 . 1 1 8 8 VAL C C 8 173.874 173.874 174.200 -0.326 25125
3470 1 6 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.292 -0.806 25125
3471 1 6 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.236 -0.521 25125
3472 1 6 . 1 1 8 8 VAL H H 8 8.583 8.583 9.515 -0.932 25125
3473 1 6 . 1 1 9 9 VAL N N 9 127.733 127.733 124.510 3.223 25125
3474 1 6 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.648 0.313 25125
3475 1 6 . 1 1 9 9 VAL C C 9 173.131 173.131 173.922 -0.791 25125
3476 1 6 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.774 -1.099 25125
3477 1 6 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.809 0.102 25125
3478 1 6 . 1 1 9 9 VAL H H 9 9.107 9.107 8.670 0.437 25125
3479 1 6 . 1 1 10 10 ASP N N 10 124.306 124.306 124.938 -0.632 25125
3480 1 6 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.899 -0.330 25125
3481 1 6 . 1 1 10 10 ASP C C 10 175.029 175.029 174.702 0.327 25125
3482 1 6 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.573 2.174 25125
3483 1 6 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.545 0.564 25125
3484 1 6 . 1 1 10 10 ASP H H 10 7.775 7.775 7.956 -0.181 25125
3485 1 6 . 1 1 11 11 ASP N N 11 126.714 126.714 118.100 8.614 25125
3486 1 6 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.908 -0.373 25125
3487 1 6 . 1 1 11 11 ASP C C 11 175.689 175.689 174.821 0.868 25125
3488 1 6 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.258 2.460 25125
3489 1 6 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.864 0.210 25125
3490 1 6 . 1 1 11 11 ASP H H 11 9.033 9.033 8.637 0.396 25125
3491 1 6 . 1 1 12 12 ASP N N 12 121.877 121.877 119.903 1.974 25125
3492 1 6 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.990 -0.344 25125
3493 1 6 . 1 1 12 12 ASP C C 12 177.036 177.036 176.133 0.903 25125
3494 1 6 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.137 0.166 25125
3495 1 6 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.388 -3.224 25125
3496 1 6 . 1 1 12 12 ASP H H 12 9.570 9.570 8.166 1.404 25125
3497 1 6 . 1 1 13 13 SER N N 13 123.799 123.799 117.778 6.021 25125
3498 1 6 . 1 1 13 13 SER HA H 13 3.761 3.761 4.264 -0.503 25125
3499 1 6 . 1 1 13 13 SER C C 13 176.156 176.156 176.164 -0.008 25125
3500 1 6 . 1 1 13 13 SER CA C 13 61.186 61.186 61.467 -0.281 25125
3501 1 6 . 1 1 13 13 SER CB C 13 62.749 62.749 63.464 -0.715 25125
3502 1 6 . 1 1 13 13 SER H H 13 8.850 8.850 8.759 0.091 25125
3503 1 6 . 1 1 14 14 SER N N 14 119.123 119.123 116.977 2.146 25125
3504 1 6 . 1 1 14 14 SER HA H 14 4.361 4.361 4.350 0.011 25125
3505 1 6 . 1 1 14 14 SER C C 14 176.404 176.404 176.525 -0.121 25125
3506 1 6 . 1 1 14 14 SER CA C 14 61.730 61.730 61.582 0.148 25125
3507 1 6 . 1 1 14 14 SER CB C 14 62.548 62.548 62.615 -0.067 25125
3508 1 6 . 1 1 14 14 SER H H 14 8.531 8.531 8.665 -0.134 25125
3509 1 6 . 1 1 15 15 ILE N N 15 123.637 123.637 120.431 3.206 25125
3510 1 6 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.875 0.070 25125
3511 1 6 . 1 1 15 15 ILE C C 15 177.861 177.861 178.059 -0.198 25125
3512 1 6 . 1 1 15 15 ILE CA C 15 61.200 61.200 64.220 -3.020 25125
3513 1 6 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.986 -1.100 25125
3514 1 6 . 1 1 15 15 ILE H H 15 7.206 7.206 8.170 -0.964 25125
3515 1 6 . 1 1 16 16 ARG N N 16 116.694 116.694 118.999 -2.305 25125
3516 1 6 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.264 -0.541 25125
3517 1 6 . 1 1 16 16 ARG C C 16 177.448 177.448 178.473 -1.025 25125
3518 1 6 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.880 2.693 25125
3519 1 6 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.182 0.265 25125
3520 1 6 . 1 1 16 16 ARG H H 16 7.562 7.562 7.507 0.055 25125
3521 1 6 . 1 1 17 17 TRP N N 17 116.848 116.848 123.146 -6.298 25125
3522 1 6 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.262 0.209 25125
3523 1 6 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.169 -0.729 25125
3524 1 6 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.297 -0.004 25125
3525 1 6 . 1 1 17 17 TRP H H 17 8.005 8.005 8.356 -0.351 25125
3526 1 6 . 1 1 18 18 VAL N N 18 116.964 116.964 118.974 -2.010 25125
3527 1 6 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.705 0.970 25125
3528 1 6 . 1 1 18 18 VAL C C 18 179.181 179.181 177.686 1.495 25125
3529 1 6 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.140 0.568 25125
3530 1 6 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.279 0.358 25125
3531 1 6 . 1 1 18 18 VAL H H 18 8.110 8.110 8.364 -0.254 25125
3532 1 6 . 1 1 19 19 LEU N N 19 120.186 120.186 117.585 2.601 25125
3533 1 6 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.149 -0.074 25125
3534 1 6 . 1 1 19 19 LEU C C 19 177.778 177.778 178.949 -1.171 25125
3535 1 6 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.188 0.634 25125
3536 1 6 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.515 0.266 25125
3537 1 6 . 1 1 19 19 LEU H H 19 8.073 8.073 7.386 0.687 25125
3538 1 6 . 1 1 20 20 GLU N N 20 120.193 120.193 120.416 -0.223 25125
3539 1 6 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.090 -0.149 25125
3540 1 6 . 1 1 20 20 GLU C C 20 178.603 178.603 178.664 -0.061 25125
3541 1 6 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.365 1.245 25125
3542 1 6 . 1 1 20 20 GLU CB C 20 29.088 29.088 30.002 -0.914 25125
3543 1 6 . 1 1 20 20 GLU H H 20 8.387 8.387 8.137 0.250 25125
3544 1 6 . 1 1 21 21 ARG N N 21 116.076 116.076 118.418 -2.342 25125
3545 1 6 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.961 -0.068 25125
3546 1 6 . 1 1 21 21 ARG C C 21 179.676 179.676 178.380 1.296 25125
3547 1 6 . 1 1 21 21 ARG CA C 21 58.449 58.449 59.040 -0.591 25125
3548 1 6 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.303 0.550 25125
3549 1 6 . 1 1 21 21 ARG H H 21 7.602 7.602 7.948 -0.346 25125
3550 1 6 . 1 1 22 22 ALA N N 22 122.405 122.405 122.420 -0.015 25125
3551 1 6 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.045 0.052 25125
3552 1 6 . 1 1 22 22 ALA C C 22 180.501 180.501 179.072 1.429 25125
3553 1 6 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.622 -0.044 25125
3554 1 6 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.246 0.986 25125
3555 1 6 . 1 1 22 22 ALA H H 22 7.992 7.992 7.772 0.220 25125
3556 1 6 . 1 1 23 23 LEU N N 23 118.026 118.026 117.792 0.234 25125
3557 1 6 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.250 -0.249 25125
3558 1 6 . 1 1 23 23 LEU C C 23 178.878 178.878 178.976 -0.098 25125
3559 1 6 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.402 1.319 25125
3560 1 6 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.171 -2.516 25125
3561 1 6 . 1 1 23 23 LEU H H 23 8.825 8.825 7.462 1.363 25125
3562 1 6 . 1 1 24 24 ALA N N 24 122.159 122.159 123.160 -1.001 25125
3563 1 6 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.032 0.601 25125
3564 1 6 . 1 1 24 24 ALA C C 24 183.141 183.141 180.276 2.865 25125
3565 1 6 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.891 -0.144 25125
3566 1 6 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.310 -0.608 25125
3567 1 6 . 1 1 24 24 ALA H H 24 8.125 8.125 7.935 0.190 25125
3568 1 6 . 1 1 25 25 GLY N N 25 106.891 106.891 104.641 2.250 25125
3569 1 6 . 1 1 25 25 GLY C C 25 174.286 174.286 174.446 -0.160 25125
3570 1 6 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.351 1.070 25125
3571 1 6 . 1 1 25 25 GLY H H 25 7.870 7.870 8.211 -0.341 25125
3572 1 6 . 1 1 26 26 ALA N N 26 121.819 121.819 123.566 -1.747 25125
3573 1 6 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.408 0.091 25125
3574 1 6 . 1 1 26 26 ALA C C 26 176.953 176.953 177.344 -0.391 25125
3575 1 6 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.496 0.023 25125
3576 1 6 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.089 -1.367 25125
3577 1 6 . 1 1 26 26 ALA H H 26 7.285 7.285 7.447 -0.162 25125
3578 1 6 . 1 1 27 27 GLY N N 27 106.197 106.197 106.816 -0.619 25125
3579 1 6 . 1 1 27 27 GLY C C 27 173.956 173.956 173.680 0.276 25125
3580 1 6 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.263 0.053 25125
3581 1 6 . 1 1 27 27 GLY H H 27 7.824 7.824 7.750 0.074 25125
3582 1 6 . 1 1 28 28 LEU N N 28 120.291 120.291 117.865 2.426 25125
3583 1 6 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.767 -0.192 25125
3584 1 6 . 1 1 28 28 LEU C C 28 175.881 175.881 176.255 -0.374 25125
3585 1 6 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.875 0.768 25125
3586 1 6 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.340 -1.855 25125
3587 1 6 . 1 1 28 28 LEU H H 28 7.678 7.678 7.575 0.103 25125
3588 1 6 . 1 1 29 29 THR N N 29 118.040 118.040 116.365 1.675 25125
3589 1 6 . 1 1 29 29 THR HA H 29 4.335 4.335 4.184 0.151 25125
3590 1 6 . 1 1 29 29 THR C C 29 173.186 173.186 174.030 -0.844 25125
3591 1 6 . 1 1 29 29 THR CA C 29 62.479 62.479 64.769 -2.290 25125
3592 1 6 . 1 1 29 29 THR CB C 29 69.465 69.465 69.499 -0.035 25125
3593 1 6 . 1 1 29 29 THR H H 29 8.527 8.527 8.516 0.011 25125
3594 1 6 . 1 1 30 30 CYS N N 30 128.387 128.387 120.455 7.932 25125
3595 1 6 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.521 0.422 25125
3596 1 6 . 1 1 30 30 CYS C C 30 173.846 173.846 174.083 -0.237 25125
3597 1 6 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.696 -0.334 25125
3598 1 6 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.465 -1.985 25125
3599 1 6 . 1 1 30 30 CYS H H 30 8.968 8.968 8.282 0.686 25125
3600 1 6 . 1 1 31 31 THR N N 31 126.481 126.481 123.344 3.137 25125
3601 1 6 . 1 1 31 31 THR HA H 31 4.433 4.433 4.338 0.095 25125
3602 1 6 . 1 1 31 31 THR C C 31 172.609 172.609 173.265 -0.656 25125
3603 1 6 . 1 1 31 31 THR CA C 31 61.951 61.951 61.316 0.635 25125
3604 1 6 . 1 1 31 31 THR CB C 31 70.567 70.567 69.380 1.187 25125
3605 1 6 . 1 1 31 31 THR H H 31 8.614 8.614 8.407 0.207 25125
3606 1 6 . 1 1 32 32 THR N N 32 116.418 116.418 118.247 -1.829 25125
3607 1 6 . 1 1 32 32 THR HA H 32 5.330 5.330 4.777 0.553 25125
3608 1 6 . 1 1 32 32 THR C C 32 172.306 172.306 173.195 -0.889 25125
3609 1 6 . 1 1 32 32 THR CA C 32 59.173 59.173 60.738 -1.565 25125
3610 1 6 . 1 1 32 32 THR CB C 32 70.917 70.917 69.902 1.015 25125
3611 1 6 . 1 1 32 32 THR H H 32 8.299 8.299 8.251 0.048 25125
3612 1 6 . 1 1 33 33 PHE N N 33 118.067 118.067 124.481 -6.414 25125
3613 1 6 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.904 -0.261 25125
3614 1 6 . 1 1 33 33 PHE C C 33 174.341 174.341 174.463 -0.122 25125
3615 1 6 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.483 0.049 25125
3616 1 6 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.399 0.910 25125
3617 1 6 . 1 1 33 33 PHE H H 33 8.890 8.890 8.831 0.059 25125
3618 1 6 . 1 1 34 34 GLU N N 34 118.499 118.499 116.555 1.944 25125
3619 1 6 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.873 -0.519 25125
3620 1 6 . 1 1 34 34 GLU C C 34 175.414 175.414 174.935 0.479 25125
3621 1 6 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.490 0.202 25125
3622 1 6 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.310 1.157 25125
3623 1 6 . 1 1 34 34 GLU H H 34 9.023 9.023 9.031 -0.008 25125
3624 1 6 . 1 1 35 35 ASN N N 35 109.907 109.907 118.444 -8.537 25125
3625 1 6 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.717 0.064 25125
3626 1 6 . 1 1 35 35 ASN C C 35 175.139 175.139 174.793 0.346 25125
3627 1 6 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.505 -1.359 25125
3628 1 6 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.283 2.040 25125
3629 1 6 . 1 1 35 35 ASN H H 35 7.401 7.401 8.264 -0.863 25125
3630 1 6 . 1 1 36 36 GLY N N 36 106.739 106.739 106.031 0.708 25125
3631 1 6 . 1 1 36 36 GLY C C 36 174.616 174.616 175.197 -0.581 25125
3632 1 6 . 1 1 36 36 GLY CA C 36 47.016 47.016 45.255 1.761 25125
3633 1 6 . 1 1 36 36 GLY H H 36 8.877 8.877 8.041 0.836 25125
3634 1 6 . 1 1 37 37 ASN N N 37 120.462 120.462 121.541 -1.079 25125
3635 1 6 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.378 -0.016 25125
3636 1 6 . 1 1 37 37 ASN C C 37 178.686 178.686 176.322 2.364 25125
3637 1 6 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.743 0.789 25125
3638 1 6 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.448 -0.864 25125
3639 1 6 . 1 1 37 37 ASN H H 37 8.366 8.366 8.692 -0.326 25125
3640 1 6 . 1 1 38 38 GLU N N 38 119.360 119.360 117.536 1.824 25125
3641 1 6 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.111 -0.041 25125
3642 1 6 . 1 1 38 38 GLU C C 38 179.263 179.263 177.562 1.701 25125
3643 1 6 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.450 0.181 25125
3644 1 6 . 1 1 38 38 GLU CB C 38 30.532 30.532 28.936 1.595 25125
3645 1 6 . 1 1 38 38 GLU H H 38 7.990 7.990 8.331 -0.341 25125
3646 1 6 . 1 1 39 39 VAL N N 39 119.259 119.259 119.739 -0.480 25125
3647 1 6 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.228 -0.460 25125
3648 1 6 . 1 1 39 39 VAL C C 39 176.431 176.431 177.533 -1.102 25125
3649 1 6 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.477 1.466 25125
3650 1 6 . 1 1 39 39 VAL CB C 39 31.075 31.075 30.953 0.122 25125
3651 1 6 . 1 1 39 39 VAL H H 39 6.883 6.883 7.784 -0.901 25125
3652 1 6 . 1 1 40 40 LEU N N 40 119.627 119.627 121.979 -2.352 25125
3653 1 6 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.004 -0.077 25125
3654 1 6 . 1 1 40 40 LEU C C 40 179.538 179.538 178.350 1.188 25125
3655 1 6 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.206 -0.266 25125
3656 1 6 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.217 -0.149 25125
3657 1 6 . 1 1 40 40 LEU H H 40 7.692 7.692 7.546 0.146 25125
3658 1 6 . 1 1 41 41 ALA N N 41 120.051 120.051 119.592 0.459 25125
3659 1 6 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.128 0.012 25125
3660 1 6 . 1 1 41 41 ALA C C 41 180.528 180.528 179.655 0.873 25125
3661 1 6 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.459 0.191 25125
3662 1 6 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.038 -0.172 25125
3663 1 6 . 1 1 41 41 ALA H H 41 7.553 7.553 7.591 -0.038 25125
3664 1 6 . 1 1 42 42 ALA N N 42 122.731 122.731 122.507 0.224 25125
3665 1 6 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.137 0.062 25125
3666 1 6 . 1 1 42 42 ALA C C 42 180.198 180.198 180.159 0.039 25125
3667 1 6 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.549 0.483 25125
3668 1 6 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.294 1.105 25125
3669 1 6 . 1 1 42 42 ALA H H 42 7.604 7.604 7.580 0.024 25125
3670 1 6 . 1 1 43 43 LEU N N 43 119.131 119.131 118.635 0.496 25125
3671 1 6 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.950 1.256 25125
3672 1 6 . 1 1 43 43 LEU C C 43 177.421 177.421 178.483 -1.062 25125
3673 1 6 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.462 -1.917 25125
3674 1 6 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.027 1.577 25125
3675 1 6 . 1 1 43 43 LEU H H 43 8.288 8.288 7.959 0.329 25125
3676 1 6 . 1 1 44 44 ALA N N 44 119.065 119.065 119.553 -0.488 25125
3677 1 6 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.165 0.064 25125
3678 1 6 . 1 1 44 44 ALA C C 44 178.686 178.686 178.631 0.055 25125
3679 1 6 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.060 0.178 25125
3680 1 6 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.311 0.205 25125
3681 1 6 . 1 1 44 44 ALA H H 44 7.302 7.302 7.874 -0.572 25125
3682 1 6 . 1 1 45 45 SER N N 45 108.656 108.656 114.903 -6.247 25125
3683 1 6 . 1 1 45 45 SER HA H 45 4.742 4.742 4.322 0.420 25125
3684 1 6 . 1 1 45 45 SER C C 45 173.296 173.296 176.493 -3.197 25125
3685 1 6 . 1 1 45 45 SER CA C 45 58.656 58.656 60.632 -1.976 25125
3686 1 6 . 1 1 45 45 SER CB C 45 65.407 65.407 63.827 1.580 25125
3687 1 6 . 1 1 45 45 SER H H 45 7.728 7.728 8.067 -0.339 25125
3688 1 6 . 1 1 46 46 LYS N N 46 123.016 123.016 117.138 5.878 25125
3689 1 6 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.556 0.030 25125
3690 1 6 . 1 1 46 46 LYS C C 46 172.719 172.719 175.509 -2.790 25125
3691 1 6 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.642 -1.130 25125
3692 1 6 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.810 2.415 25125
3693 1 6 . 1 1 46 46 LYS H H 46 8.101 8.101 7.963 0.138 25125
3694 1 6 . 1 1 47 47 THR N N 47 111.780 111.780 113.097 -1.317 25125
3695 1 6 . 1 1 47 47 THR HA H 47 4.282 4.282 3.880 0.402 25125
3696 1 6 . 1 1 47 47 THR CA C 47 57.806 57.806 61.945 -4.139 25125
3697 1 6 . 1 1 47 47 THR CB C 47 70.594 70.594 68.053 2.541 25125
3698 1 6 . 1 1 47 47 THR H H 47 7.677 7.677 7.580 0.097 25125
3699 1 6 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.912 -0.007 25125
3700 1 6 . 1 1 48 48 PRO C C 48 172.966 172.966 175.899 -2.933 25125
3701 1 6 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.810 -0.945 25125
3702 1 6 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.450 -1.173 25125
3703 1 6 . 1 1 49 49 ASP N N 49 115.035 115.035 120.134 -5.099 25125
3704 1 6 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.516 -0.072 25125
3705 1 6 . 1 1 49 49 ASP C C 49 175.634 175.634 175.296 0.338 25125
3706 1 6 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.936 1.511 25125
3707 1 6 . 1 1 49 49 ASP CB C 49 42.512 42.512 41.874 0.638 25125
3708 1 6 . 1 1 49 49 ASP H H 49 8.502 8.502 8.199 0.303 25125
3709 1 6 . 1 1 50 50 VAL N N 50 112.082 112.082 115.414 -3.332 25125
3710 1 6 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.503 -0.223 25125
3711 1 6 . 1 1 50 50 VAL C C 50 171.454 171.454 172.912 -1.458 25125
3712 1 6 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.093 -0.531 25125
3713 1 6 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.010 0.626 25125
3714 1 6 . 1 1 50 50 VAL H H 50 7.173 7.173 7.119 0.054 25125
3715 1 6 . 1 1 51 51 LEU N N 51 128.247 128.247 125.902 2.345 25125
3716 1 6 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.174 0.145 25125
3717 1 6 . 1 1 51 51 LEU C C 51 173.104 173.104 174.845 -1.741 25125
3718 1 6 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.344 -0.127 25125
3719 1 6 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.411 0.095 25125
3720 1 6 . 1 1 51 51 LEU H H 51 8.059 8.059 7.982 0.077 25125
3721 1 6 . 1 1 52 52 LEU N N 52 128.407 128.407 122.864 5.543 25125
3722 1 6 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.032 0.469 25125
3723 1 6 . 1 1 52 52 LEU C C 52 175.414 175.414 175.832 -0.418 25125
3724 1 6 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.300 0.023 25125
3725 1 6 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.064 1.457 25125
3726 1 6 . 1 1 52 52 LEU H H 52 9.242 9.242 8.612 0.630 25125
3727 1 6 . 1 1 53 53 SER N N 53 114.946 114.946 118.068 -3.122 25125
3728 1 6 . 1 1 53 53 SER HA H 53 5.595 5.595 4.456 1.139 25125
3729 1 6 . 1 1 53 53 SER C C 53 174.644 174.644 173.942 0.702 25125
3730 1 6 . 1 1 53 53 SER CA C 53 55.954 55.954 59.252 -3.298 25125
3731 1 6 . 1 1 53 53 SER CB C 53 66.473 66.473 64.852 1.621 25125
3732 1 6 . 1 1 53 53 SER H H 53 8.695 8.695 7.864 0.831 25125
3733 1 6 . 1 1 54 54 ASP N N 54 128.341 128.341 125.964 2.377 25125
3734 1 6 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.987 0.338 25125
3735 1 6 . 1 1 54 54 ASP C C 54 176.816 176.816 175.804 1.012 25125
3736 1 6 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.085 1.408 25125
3737 1 6 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.606 -0.278 25125
3738 1 6 . 1 1 54 54 ASP H H 54 7.886 7.886 8.262 -0.376 25125
3739 1 6 . 1 1 55 55 ILE N N 55 121.229 121.229 118.957 2.272 25125
3740 1 6 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.791 0.394 25125
3741 1 6 . 1 1 55 55 ILE C C 55 175.084 175.084 174.259 0.825 25125
3742 1 6 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.118 -0.576 25125
3743 1 6 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.617 3.412 25125
3744 1 6 . 1 1 55 55 ILE H H 55 8.722 8.722 7.444 1.278 25125
3745 1 6 . 1 1 56 56 ARG N N 56 124.188 124.188 120.491 3.697 25125
3746 1 6 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.642 -0.137 25125
3747 1 6 . 1 1 56 56 ARG C C 56 175.661 175.661 174.996 0.665 25125
3748 1 6 . 1 1 56 56 ARG CA C 56 55.441 55.441 54.666 0.776 25125
3749 1 6 . 1 1 56 56 ARG CB C 56 30.362 30.362 30.668 -0.305 25125
3750 1 6 . 1 1 56 56 ARG H H 56 8.499 8.499 8.678 -0.179 25125
3751 1 6 . 1 1 57 57 MET N N 57 122.581 122.581 120.018 2.563 25125
3752 1 6 . 1 1 57 57 MET HA H 57 4.821 4.821 5.020 -0.199 25125
3753 1 6 . 1 1 57 57 MET CA C 57 53.132 53.132 52.307 0.825 25125
3754 1 6 . 1 1 57 57 MET CB C 57 33.445 33.445 33.582 -0.137 25125
3755 1 6 . 1 1 57 57 MET H H 57 7.956 7.956 7.899 0.057 25125
3756 1 6 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.306 0.087 25125
3757 1 6 . 1 1 58 58 PRO C C 58 177.806 177.806 177.715 0.091 25125
3758 1 6 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.845 -1.346 25125
3759 1 6 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.718 0.089 25125
3760 1 6 . 1 1 59 59 GLY N N 59 111.082 111.082 108.953 2.129 25125
3761 1 6 . 1 1 59 59 GLY C C 59 173.626 173.626 174.245 -0.619 25125
3762 1 6 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.410 0.180 25125
3763 1 6 . 1 1 59 59 GLY H H 59 8.653 8.653 8.440 0.213 25125
3764 1 6 . 1 1 60 60 MET N N 60 120.052 120.052 119.662 0.390 25125
3765 1 6 . 1 1 60 60 MET HA H 60 4.525 4.525 4.510 0.015 25125
3766 1 6 . 1 1 60 60 MET C C 60 173.956 173.956 175.301 -1.345 25125
3767 1 6 . 1 1 60 60 MET CA C 60 55.047 55.047 55.902 -0.855 25125
3768 1 6 . 1 1 60 60 MET CB C 60 34.506 34.506 33.834 0.672 25125
3769 1 6 . 1 1 60 60 MET H H 60 7.968 7.968 7.771 0.197 25125
3770 1 6 . 1 1 61 61 ASP N N 61 121.306 121.306 120.595 0.711 25125
3771 1 6 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.725 -0.021 25125
3772 1 6 . 1 1 61 61 ASP C C 61 176.761 176.761 177.555 -0.794 25125
3773 1 6 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.917 -0.188 25125
3774 1 6 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.754 0.315 25125
3775 1 6 . 1 1 61 61 ASP H H 61 8.379 8.379 8.579 -0.200 25125
3776 1 6 . 1 1 62 62 GLY N N 62 110.874 110.874 108.436 2.438 25125
3777 1 6 . 1 1 62 62 GLY C C 62 175.194 175.194 175.748 -0.554 25125
3778 1 6 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.755 0.346 25125
3779 1 6 . 1 1 62 62 GLY H H 62 8.707 8.707 8.362 0.345 25125
3780 1 6 . 1 1 63 63 LEU N N 63 121.299 121.299 121.091 0.208 25125
3781 1 6 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.425 -0.248 25125
3782 1 6 . 1 1 63 63 LEU C C 63 178.356 178.356 178.267 0.089 25125
3783 1 6 . 1 1 63 63 LEU CA C 63 56.878 56.878 56.222 0.656 25125
3784 1 6 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.374 0.864 25125
3785 1 6 . 1 1 63 63 LEU H H 63 8.045 8.045 7.673 0.372 25125
3786 1 6 . 1 1 64 64 ALA N N 64 122.741 122.741 124.086 -1.345 25125
3787 1 6 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.017 0.045 25125
3788 1 6 . 1 1 64 64 ALA C C 64 180.556 180.556 178.813 1.743 25125
3789 1 6 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.087 -0.472 25125
3790 1 6 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.901 0.099 25125
3791 1 6 . 1 1 64 64 ALA H H 64 7.859 7.859 8.217 -0.358 25125
3792 1 6 . 1 1 65 65 LEU N N 65 120.287 120.287 113.751 6.536 25125
3793 1 6 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.407 -0.345 25125
3794 1 6 . 1 1 65 65 LEU C C 65 178.191 178.191 178.520 -0.329 25125
3795 1 6 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.298 1.721 25125
3796 1 6 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.111 -0.873 25125
3797 1 6 . 1 1 65 65 LEU H H 65 8.022 8.022 7.771 0.251 25125
3798 1 6 . 1 1 66 66 LEU N N 66 118.738 118.738 120.507 -1.769 25125
3799 1 6 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.198 -0.340 25125
3800 1 6 . 1 1 66 66 LEU C C 66 178.631 178.631 178.899 -0.268 25125
3801 1 6 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.324 2.022 25125
3802 1 6 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.724 0.514 25125
3803 1 6 . 1 1 66 66 LEU H H 66 8.101 8.101 7.649 0.452 25125
3804 1 6 . 1 1 67 67 LYS N N 67 117.842 117.842 118.513 -0.671 25125
3805 1 6 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.121 -0.139 25125
3806 1 6 . 1 1 67 67 LYS C C 67 179.263 179.263 178.104 1.159 25125
3807 1 6 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.915 0.882 25125
3808 1 6 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.299 -0.092 25125
3809 1 6 . 1 1 67 67 LYS H H 67 8.010 8.010 8.242 -0.232 25125
3810 1 6 . 1 1 68 68 GLN N N 68 118.875 118.875 117.856 1.019 25125
3811 1 6 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.237 -0.181 25125
3812 1 6 . 1 1 68 68 GLN C C 68 179.071 179.071 177.497 1.574 25125
3813 1 6 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.116 0.957 25125
3814 1 6 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.916 -0.305 25125
3815 1 6 . 1 1 68 68 GLN H H 68 7.809 7.809 7.609 0.200 25125
3816 1 6 . 1 1 69 69 ILE N N 69 120.377 120.377 121.870 -1.493 25125
3817 1 6 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.937 -0.407 25125
3818 1 6 . 1 1 69 69 ILE C C 69 177.421 177.421 178.346 -0.925 25125
3819 1 6 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.969 0.909 25125
3820 1 6 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.682 -0.098 25125
3821 1 6 . 1 1 69 69 ILE H H 69 8.481 8.481 7.559 0.922 25125
3822 1 6 . 1 1 70 70 LYS N N 70 117.873 117.873 118.298 -0.425 25125
3823 1 6 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.100 -0.140 25125
3824 1 6 . 1 1 70 70 LYS C C 70 178.053 178.053 178.280 -0.227 25125
3825 1 6 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.983 -1.895 25125
3826 1 6 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.248 -1.036 25125
3827 1 6 . 1 1 70 70 LYS H H 70 8.220 8.220 8.003 0.217 25125
3828 1 6 . 1 1 71 71 GLN N N 71 116.315 116.315 118.756 -2.441 25125
3829 1 6 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.160 -0.168 25125
3830 1 6 . 1 1 71 71 GLN C C 71 177.366 177.366 177.703 -0.337 25125
3831 1 6 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.157 0.033 25125
3832 1 6 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.970 -0.305 25125
3833 1 6 . 1 1 71 71 GLN H H 71 7.601 7.601 7.564 0.037 25125
3834 1 6 . 1 1 72 72 ARG N N 72 116.530 116.530 117.405 -0.875 25125
3835 1 6 . 1 1 72 72 ARG HA H 72 4.030 4.030 3.989 0.041 25125
3836 1 6 . 1 1 72 72 ARG C C 72 175.826 175.826 176.327 -0.501 25125
3837 1 6 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.289 -0.067 25125
3838 1 6 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.080 0.722 25125
3839 1 6 . 1 1 72 72 ARG H H 72 7.301 7.301 8.131 -0.830 25125
3840 1 6 . 1 1 73 73 HIS N N 73 116.755 116.755 116.365 0.390 25125
3841 1 6 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.865 0.095 25125
3842 1 6 . 1 1 73 73 HIS CA C 73 53.218 53.218 52.992 0.226 25125
3843 1 6 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.169 0.393 25125
3844 1 6 . 1 1 73 73 HIS H H 73 8.331 8.331 7.682 0.649 25125
3845 1 6 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.432 0.067 25125
3846 1 6 . 1 1 74 74 PRO C C 74 178.466 178.466 177.468 0.998 25125
3847 1 6 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.960 0.153 25125
3848 1 6 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.208 -0.113 25125
3849 1 6 . 1 1 75 75 MET N N 75 114.814 114.814 113.232 1.582 25125
3850 1 6 . 1 1 75 75 MET HA H 75 4.567 4.567 4.581 -0.014 25125
3851 1 6 . 1 1 75 75 MET C C 75 176.046 176.046 175.503 0.543 25125
3852 1 6 . 1 1 75 75 MET CA C 75 54.266 54.266 55.489 -1.224 25125
3853 1 6 . 1 1 75 75 MET CB C 75 31.288 31.288 31.939 -0.651 25125
3854 1 6 . 1 1 75 75 MET H H 75 8.623 8.623 7.708 0.915 25125
3855 1 6 . 1 1 76 76 LEU N N 76 125.533 125.533 124.001 1.532 25125
3856 1 6 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.727 -0.422 25125
3857 1 6 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.063 2.049 25125
3858 1 6 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.284 0.401 25125
3859 1 6 . 1 1 76 76 LEU H H 76 7.337 7.337 7.182 0.155 25125
3860 1 6 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.519 -0.073 25125
3861 1 6 . 1 1 77 77 PRO C C 77 174.974 174.974 175.310 -0.336 25125
3862 1 6 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.446 0.381 25125
3863 1 6 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.075 -0.353 25125
3864 1 6 . 1 1 78 78 VAL N N 78 123.779 123.779 122.659 1.120 25125
3865 1 6 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.473 0.551 25125
3866 1 6 . 1 1 78 78 VAL C C 78 175.441 175.441 175.316 0.125 25125
3867 1 6 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.917 -0.724 25125
3868 1 6 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.334 -1.040 25125
3869 1 6 . 1 1 78 78 VAL H H 78 8.317 8.317 8.250 0.067 25125
3870 1 6 . 1 1 79 79 ILE N N 79 128.334 128.334 121.674 6.660 25125
3871 1 6 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.792 -0.311 25125
3872 1 6 . 1 1 79 79 ILE C C 79 174.479 174.479 174.585 -0.106 25125
3873 1 6 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.898 -0.376 25125
3874 1 6 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.959 -1.996 25125
3875 1 6 . 1 1 79 79 ILE H H 79 9.292 9.292 8.871 0.421 25125
3876 1 6 . 1 1 80 80 ILE N N 80 127.023 127.023 123.286 3.737 25125
3877 1 6 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.561 0.298 25125
3878 1 6 . 1 1 80 80 ILE C C 80 175.029 175.029 175.095 -0.066 25125
3879 1 6 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.385 -1.228 25125
3880 1 6 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.864 -1.920 25125
3881 1 6 . 1 1 80 80 ILE H H 80 7.938 7.938 8.729 -0.791 25125
3882 1 6 . 1 1 81 81 MET N N 81 127.255 127.255 124.763 2.492 25125
3883 1 6 . 1 1 81 81 MET HA H 81 5.521 5.521 5.605 -0.084 25125
3884 1 6 . 1 1 81 81 MET C C 81 174.534 174.534 175.723 -1.189 25125
3885 1 6 . 1 1 81 81 MET CA C 81 53.513 53.513 54.796 -1.283 25125
3886 1 6 . 1 1 81 81 MET CB C 81 35.483 35.483 35.651 -0.168 25125
3887 1 6 . 1 1 81 81 MET H H 81 8.801 8.801 8.884 -0.083 25125
3888 1 6 . 1 1 82 82 THR N N 82 112.857 112.857 117.412 -4.555 25125
3889 1 6 . 1 1 82 82 THR HA H 82 4.914 4.914 4.477 0.437 25125
3890 1 6 . 1 1 82 82 THR C C 82 172.581 172.581 173.495 -0.914 25125
3891 1 6 . 1 1 82 82 THR CA C 82 59.561 59.561 63.434 -3.873 25125
3892 1 6 . 1 1 82 82 THR CB C 82 69.989 69.989 69.674 0.315 25125
3893 1 6 . 1 1 82 82 THR H H 82 7.623 7.623 8.387 -0.764 25125
3894 1 6 . 1 1 83 83 ALA N N 83 129.541 129.541 126.085 3.456 25125
3895 1 6 . 1 1 83 83 ALA HA H 83 4.708 4.708 4.015 0.693 25125
3896 1 6 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.828 -1.290 25125
3897 1 6 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.846 2.301 25125
3898 1 6 . 1 1 83 83 ALA H H 83 9.149 9.149 8.324 0.825 25125
3899 1 6 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.553 -0.281 25125
3900 1 6 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.953 3.747 25125
3901 1 6 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.962 -0.944 25125
3902 1 6 . 1 1 85 85 SER N N 85 112.633 112.633 114.038 -1.405 25125
3903 1 6 . 1 1 85 85 SER HA H 85 4.198 4.198 4.450 -0.252 25125
3904 1 6 . 1 1 85 85 SER C C 85 174.506 174.506 172.982 1.524 25125
3905 1 6 . 1 1 85 85 SER CA C 85 59.823 59.823 58.768 1.055 25125
3906 1 6 . 1 1 85 85 SER CB C 85 62.693 62.693 63.593 -0.900 25125
3907 1 6 . 1 1 85 85 SER H H 85 8.224 8.224 7.224 1.000 25125
3908 1 6 . 1 1 86 86 ASP N N 86 120.886 120.886 120.333 0.553 25125
3909 1 6 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.643 0.293 25125
3910 1 6 . 1 1 86 86 ASP C C 86 175.881 175.881 176.493 -0.612 25125
3911 1 6 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.852 -0.918 25125
3912 1 6 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.721 0.282 25125
3913 1 6 . 1 1 86 86 ASP H H 86 7.608 7.608 8.081 -0.473 25125
3914 1 6 . 1 1 87 87 LEU N N 87 121.913 121.913 121.224 0.689 25125
3915 1 6 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.574 0.345 25125
3916 1 6 . 1 1 87 87 LEU C C 87 177.586 177.586 177.980 -0.394 25125
3917 1 6 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.721 -0.884 25125
3918 1 6 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.343 0.972 25125
3919 1 6 . 1 1 87 87 LEU H H 87 7.498 7.498 8.138 -0.640 25125
3920 1 6 . 1 1 88 88 ASP N N 88 117.621 117.621 117.484 0.137 25125
3921 1 6 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.221 0.051 25125
3922 1 6 . 1 1 88 88 ASP C C 88 178.246 178.246 177.440 0.806 25125
3923 1 6 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.330 -0.519 25125
3924 1 6 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.270 -0.137 25125
3925 1 6 . 1 1 88 88 ASP H H 88 8.322 8.322 8.518 -0.196 25125
3926 1 6 . 1 1 89 89 ALA N N 89 122.874 122.874 121.258 1.616 25125
3927 1 6 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.333 -0.239 25125
3928 1 6 . 1 1 89 89 ALA C C 89 179.346 179.346 179.348 -0.002 25125
3929 1 6 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.358 -0.206 25125
3930 1 6 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.755 -0.494 25125
3931 1 6 . 1 1 89 89 ALA H H 89 7.838 7.838 7.583 0.255 25125
3932 1 6 . 1 1 90 90 ALA N N 90 121.673 121.673 122.182 -0.509 25125
3933 1 6 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.012 -0.079 25125
3934 1 6 . 1 1 90 90 ALA C C 90 178.686 178.686 179.837 -1.151 25125
3935 1 6 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.016 -0.353 25125
3936 1 6 . 1 1 90 90 ALA CB C 90 18.382 18.382 17.992 0.390 25125
3937 1 6 . 1 1 90 90 ALA H H 90 7.896 7.896 8.319 -0.423 25125
3938 1 6 . 1 1 91 91 VAL N N 91 117.749 117.749 116.984 0.765 25125
3939 1 6 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.972 -0.360 25125
3940 1 6 . 1 1 91 91 VAL C C 91 178.411 178.411 177.328 1.083 25125
3941 1 6 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.481 -1.300 25125
3942 1 6 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.997 -0.360 25125
3943 1 6 . 1 1 91 91 VAL H H 91 8.098 8.098 8.491 -0.393 25125
3944 1 6 . 1 1 92 92 SER N N 92 114.942 114.942 113.451 1.491 25125
3945 1 6 . 1 1 92 92 SER HA H 92 4.231 4.231 4.431 -0.200 25125
3946 1 6 . 1 1 92 92 SER C C 92 175.826 175.826 175.334 0.492 25125
3947 1 6 . 1 1 92 92 SER CA C 92 60.649 60.649 60.142 0.506 25125
3948 1 6 . 1 1 92 92 SER CB C 92 63.063 63.063 64.507 -1.444 25125
3949 1 6 . 1 1 92 92 SER H H 92 7.825 7.825 7.837 -0.012 25125
3950 1 6 . 1 1 93 93 ALA N N 93 122.580 122.580 122.726 -0.146 25125
3951 1 6 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.217 -0.160 25125
3952 1 6 . 1 1 93 93 ALA C C 93 178.906 178.906 179.640 -0.734 25125
3953 1 6 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.518 -0.201 25125
3954 1 6 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.683 -0.386 25125
3955 1 6 . 1 1 93 93 ALA H H 93 7.861 7.861 8.379 -0.518 25125
3956 1 6 . 1 1 94 94 TYR N N 94 118.447 118.447 120.704 -2.257 25125
3957 1 6 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.289 0.203 25125
3958 1 6 . 1 1 94 94 TYR C C 94 177.393 177.393 177.491 -0.098 25125
3959 1 6 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.989 -0.738 25125
3960 1 6 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.394 0.040 25125
3961 1 6 . 1 1 94 94 TYR H H 94 8.150 8.150 7.904 0.246 25125
3962 1 6 . 1 1 95 95 GLN N N 95 119.787 119.787 116.121 3.666 25125
3963 1 6 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.068 -0.025 25125
3964 1 6 . 1 1 95 95 GLN C C 95 176.981 176.981 176.719 0.262 25125
3965 1 6 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.999 0.467 25125
3966 1 6 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.743 0.346 25125
3967 1 6 . 1 1 95 95 GLN H H 95 8.271 8.271 8.028 0.243 25125
3968 1 6 . 1 1 96 96 GLN N N 96 117.878 117.878 118.058 -0.180 25125
3969 1 6 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.232 0.113 25125
3970 1 6 . 1 1 96 96 GLN C C 96 175.854 175.854 176.582 -0.728 25125
3971 1 6 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.373 -0.202 25125
3972 1 6 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.303 0.172 25125
3973 1 6 . 1 1 96 96 GLN H H 96 7.944 7.944 7.811 0.133 25125
3974 1 6 . 1 1 97 97 GLY N N 97 106.670 106.670 105.501 1.169 25125
3975 1 6 . 1 1 97 97 GLY C C 97 174.231 174.231 173.138 1.093 25125
3976 1 6 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.776 0.710 25125
3977 1 6 . 1 1 97 97 GLY H H 97 7.949 7.949 7.785 0.164 25125
3978 1 6 . 1 1 98 98 ALA N N 98 122.898 122.898 120.913 1.985 25125
3979 1 6 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.387 -0.012 25125
3980 1 6 . 1 1 98 98 ALA C C 98 175.991 175.991 175.706 0.285 25125
3981 1 6 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.198 1.970 25125
3982 1 6 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.227 -1.258 25125
3983 1 6 . 1 1 98 98 ALA H H 98 7.808 7.808 7.180 0.628 25125
3984 1 6 . 1 1 99 99 PHE N N 99 123.484 123.484 118.668 4.816 25125
3985 1 6 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.489 -0.139 25125
3986 1 6 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.458 1.998 25125
3987 1 6 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.360 -0.920 25125
3988 1 6 . 1 1 99 99 PHE H H 99 7.704 7.704 8.230 -0.526 25125
3989 1 6 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.935 0.569 25125
3990 1 6 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.102 -1.620 25125
3991 1 6 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.979 3.221 25125
3992 1 6 . 1 1 101 101 TYR N N 101 118.148 118.148 121.278 -3.130 25125
3993 1 6 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.548 0.900 25125
3994 1 6 . 1 1 101 101 TYR C C 101 173.159 173.159 174.712 -1.553 25125
3995 1 6 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.001 -0.014 25125
3996 1 6 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.730 3.168 25125
3997 1 6 . 1 1 101 101 TYR H H 101 9.546 9.546 7.401 2.145 25125
3998 1 6 . 1 1 102 102 LEU N N 102 124.100 124.100 121.222 2.878 25125
3999 1 6 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.077 -0.357 25125
4000 1 6 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.130 -0.631 25125
4001 1 6 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.672 -0.611 25125
4002 1 6 . 1 1 102 102 LEU H H 102 8.901 8.901 8.707 0.194 25125
4003 1 6 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.681 0.212 25125
4004 1 6 . 1 1 103 103 PRO C C 103 175.524 175.524 175.365 0.159 25125
4005 1 6 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.424 -0.539 25125
4006 1 6 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.221 -0.415 25125
4007 1 6 . 1 1 104 104 LYS N N 104 118.848 118.848 121.376 -2.528 25125
4008 1 6 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.849 -0.336 25125
4009 1 6 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.703 -0.485 25125
4010 1 6 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.026 1.718 25125
4011 1 6 . 1 1 104 104 LYS H H 104 8.279 8.279 8.081 0.198 25125
4012 1 6 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.555 -0.256 25125
4013 1 6 . 1 1 105 105 PRO C C 105 175.001 175.001 175.347 -0.346 25125
4014 1 6 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.519 -0.125 25125
4015 1 6 . 1 1 105 105 PRO CB C 105 34.095 34.095 31.930 2.165 25125
4016 1 6 . 1 1 106 106 PHE N N 106 116.607 116.607 114.421 2.186 25125
4017 1 6 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.727 0.443 25125
4018 1 6 . 1 1 106 106 PHE C C 106 175.221 175.221 173.876 1.345 25125
4019 1 6 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.906 -2.471 25125
4020 1 6 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.434 -0.035 25125
4021 1 6 . 1 1 106 106 PHE H H 106 7.457 7.457 7.512 -0.055 25125
4022 1 6 . 1 1 107 107 ASP N N 107 122.214 122.214 122.638 -0.424 25125
4023 1 6 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.054 -0.222 25125
4024 1 6 . 1 1 107 107 ASP C C 107 177.778 177.778 176.800 0.978 25125
4025 1 6 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.690 -0.448 25125
4026 1 6 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.650 0.947 25125
4027 1 6 . 1 1 107 107 ASP H H 107 9.022 9.022 8.704 0.318 25125
4028 1 6 . 1 1 108 108 ILE N N 108 127.706 127.706 124.924 2.782 25125
4029 1 6 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.749 0.216 25125
4030 1 6 . 1 1 108 108 ILE C C 108 176.046 176.046 177.041 -0.995 25125
4031 1 6 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.003 -2.014 25125
4032 1 6 . 1 1 108 108 ILE CB C 108 37.754 37.754 37.961 -0.207 25125
4033 1 6 . 1 1 108 108 ILE H H 108 8.860 8.860 8.895 -0.035 25125
4034 1 6 . 1 1 109 109 ASP N N 109 120.058 120.058 118.729 1.329 25125
4035 1 6 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.378 0.010 25125
4036 1 6 . 1 1 109 109 ASP C C 109 179.786 179.786 179.099 0.687 25125
4037 1 6 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.730 -0.236 25125
4038 1 6 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.839 0.215 25125
4039 1 6 . 1 1 109 109 ASP H H 109 8.079 8.079 8.680 -0.601 25125
4040 1 6 . 1 1 110 110 GLU N N 110 121.559 121.559 119.952 1.607 25125
4041 1 6 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.238 -0.170 25125
4042 1 6 . 1 1 110 110 GLU C C 110 179.043 179.043 178.382 0.661 25125
4043 1 6 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.481 0.345 25125
4044 1 6 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.806 -0.463 25125
4045 1 6 . 1 1 110 110 GLU H H 110 8.012 8.012 8.022 -0.010 25125
4046 1 6 . 1 1 111 111 ALA N N 111 122.267 122.267 123.460 -1.193 25125
4047 1 6 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.997 -0.243 25125
4048 1 6 . 1 1 111 111 ALA C C 111 178.493 178.493 179.465 -0.972 25125
4049 1 6 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.297 -0.124 25125
4050 1 6 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.162 0.220 25125
4051 1 6 . 1 1 111 111 ALA H H 111 7.897 7.897 8.382 -0.485 25125
4052 1 6 . 1 1 112 112 VAL N N 112 116.527 116.527 117.753 -1.226 25125
4053 1 6 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.634 -0.467 25125
4054 1 6 . 1 1 112 112 VAL C C 112 177.201 177.201 178.135 -0.934 25125
4055 1 6 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.489 0.656 25125
4056 1 6 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.082 0.470 25125
4057 1 6 . 1 1 112 112 VAL H H 112 8.018 8.018 8.432 -0.414 25125
4058 1 6 . 1 1 113 113 ALA N N 113 119.895 119.895 121.644 -1.749 25125
4059 1 6 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.190 -0.052 25125
4060 1 6 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.551 0.281 25125
4061 1 6 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.566 -0.694 25125
4062 1 6 . 1 1 113 113 ALA H H 113 7.673 7.673 7.393 0.280 25125
4063 1 6 . 1 1 114 114 LEU N N 114 120.650 120.650 120.343 0.307 25125
4064 1 6 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.091 -0.008 25125
4065 1 6 . 1 1 114 114 LEU C C 114 178.466 178.466 178.334 0.132 25125
4066 1 6 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.743 0.277 25125
4067 1 6 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.001 -0.168 25125
4068 1 6 . 1 1 114 114 LEU H H 114 7.840 7.840 7.850 -0.010 25125
4069 1 6 . 1 1 115 115 VAL N N 115 119.480 119.480 117.752 1.728 25125
4070 1 6 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.560 -0.348 25125
4071 1 6 . 1 1 115 115 VAL C C 115 177.448 177.448 176.883 0.565 25125
4072 1 6 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.500 1.701 25125
4073 1 6 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.573 -0.901 25125
4074 1 6 . 1 1 115 115 VAL H H 115 7.824 7.824 7.759 0.065 25125
4075 1 6 . 1 1 116 116 GLU N N 116 117.473 117.473 119.560 -2.087 25125
4076 1 6 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.972 -0.183 25125
4077 1 6 . 1 1 116 116 GLU C C 116 179.566 179.566 179.139 0.427 25125
4078 1 6 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.646 0.284 25125
4079 1 6 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.075 0.022 25125
4080 1 6 . 1 1 116 116 GLU H H 116 8.465 8.465 7.610 0.855 25125
4081 1 6 . 1 1 117 117 ARG N N 117 120.128 120.128 118.645 1.483 25125
4082 1 6 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.095 -0.031 25125
4083 1 6 . 1 1 117 117 ARG C C 117 178.438 178.438 178.296 0.142 25125
4084 1 6 . 1 1 117 117 ARG CA C 117 59.278 59.278 59.090 0.188 25125
4085 1 6 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.780 0.497 25125
4086 1 6 . 1 1 117 117 ARG H H 117 8.012 8.012 7.698 0.314 25125
4087 1 6 . 1 1 118 118 ALA N N 118 122.270 122.270 121.430 0.840 25125
4088 1 6 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.849 -0.393 25125
4089 1 6 . 1 1 118 118 ALA C C 118 178.741 178.741 179.110 -0.369 25125
4090 1 6 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.366 0.212 25125
4091 1 6 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.149 0.009 25125
4092 1 6 . 1 1 118 118 ALA H H 118 7.958 7.958 7.243 0.715 25125
4093 1 6 . 1 1 119 119 ILE N N 119 115.269 115.269 117.733 -2.464 25125
4094 1 6 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.965 -0.237 25125
4095 1 6 . 1 1 119 119 ILE C C 119 177.366 177.366 178.658 -1.292 25125
4096 1 6 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.910 -1.241 25125
4097 1 6 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.039 -0.241 25125
4098 1 6 . 1 1 119 119 ILE H H 119 7.753 7.753 7.629 0.124 25125
4099 1 6 . 1 1 120 120 SER N N 120 115.135 115.135 114.844 0.291 25125
4100 1 6 . 1 1 120 120 SER HA H 120 4.275 4.275 4.025 0.250 25125
4101 1 6 . 1 1 120 120 SER C C 120 175.084 175.084 176.547 -1.463 25125
4102 1 6 . 1 1 120 120 SER CA C 120 59.816 59.816 61.010 -1.194 25125
4103 1 6 . 1 1 120 120 SER CB C 120 63.380 63.380 62.827 0.553 25125
4104 1 6 . 1 1 120 120 SER H H 120 7.816 7.816 8.114 -0.298 25125
4105 1 6 . 1 1 121 121 HIS N N 121 119.908 119.908 120.177 -0.269 25125
4106 1 6 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.169 0.253 25125
4107 1 6 . 1 1 121 121 HIS C C 121 175.029 175.029 175.550 -0.521 25125
4108 1 6 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.143 -0.907 25125
4109 1 6 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.729 -0.301 25125
4110 1 6 . 1 1 121 121 HIS H H 121 7.910 7.910 7.304 0.606 25125
4111 1 6 . 1 1 122 122 TYR N N 122 118.880 118.880 116.550 2.330 25125
4112 1 6 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.734 -0.308 25125
4113 1 6 . 1 1 122 122 TYR C C 122 175.276 175.276 174.901 0.375 25125
4114 1 6 . 1 1 122 122 TYR CA C 122 58.449 58.449 57.618 0.831 25125
4115 1 6 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.212 0.393 25125
4116 1 6 . 1 1 122 122 TYR H H 122 7.766 7.766 7.830 -0.064 25125
4117 1 6 . 1 1 123 123 GLN N N 123 121.479 121.479 117.389 4.090 25125
4118 1 6 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.332 -0.062 25125
4119 1 6 . 1 1 123 123 GLN C C 123 174.534 174.534 175.296 -0.762 25125
4120 1 6 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.872 -0.360 25125
4121 1 6 . 1 1 123 123 GLN CB C 123 29.768 29.768 31.001 -1.233 25125
4122 1 6 . 1 1 123 123 GLN H H 123 7.878 7.878 7.953 -0.075 25125
4123 1 7 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.132 0.301 25125
4124 1 7 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.703 -1.139 25125
4125 1 7 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.073 2.527 25125
4126 1 7 . 1 1 3 3 ARG N N 3 121.252 121.252 117.613 3.639 25125
4127 1 7 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.335 0.030 25125
4128 1 7 . 1 1 3 3 ARG C C 3 175.634 175.634 175.208 0.426 25125
4129 1 7 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.059 -0.069 25125
4130 1 7 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.410 0.887 25125
4131 1 7 . 1 1 3 3 ARG H H 3 8.429 8.429 8.058 0.371 25125
4132 1 7 . 1 1 4 4 GLY N N 4 107.663 107.663 109.076 -1.413 25125
4133 1 7 . 1 1 4 4 GLY C C 4 171.041 171.041 173.138 -2.097 25125
4134 1 7 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.710 0.606 25125
4135 1 7 . 1 1 4 4 GLY H H 4 7.963 7.963 7.794 0.169 25125
4136 1 7 . 1 1 5 5 ILE N N 5 122.603 122.603 124.036 -1.433 25125
4137 1 7 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.023 0.676 25125
4138 1 7 . 1 1 5 5 ILE C C 5 175.359 175.359 174.961 0.398 25125
4139 1 7 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.498 -0.888 25125
4140 1 7 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.309 0.266 25125
4141 1 7 . 1 1 5 5 ILE H H 5 9.610 9.610 8.103 1.507 25125
4142 1 7 . 1 1 6 6 VAL N N 6 127.905 127.905 125.770 2.135 25125
4143 1 7 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.909 -0.097 25125
4144 1 7 . 1 1 6 6 VAL C C 6 174.204 174.204 175.419 -1.215 25125
4145 1 7 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.852 -1.293 25125
4146 1 7 . 1 1 6 6 VAL CB C 6 34.526 34.526 32.821 1.705 25125
4147 1 7 . 1 1 6 6 VAL H H 6 9.090 9.090 7.986 1.104 25125
4148 1 7 . 1 1 7 7 TRP N N 7 127.467 127.467 128.854 -1.387 25125
4149 1 7 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.260 1.194 25125
4150 1 7 . 1 1 7 7 TRP C C 7 175.056 175.056 175.317 -0.261 25125
4151 1 7 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.281 -1.403 25125
4152 1 7 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.867 1.267 25125
4153 1 7 . 1 1 7 7 TRP H H 7 8.497 8.497 8.532 -0.035 25125
4154 1 7 . 1 1 8 8 VAL N N 8 122.068 122.068 119.293 2.775 25125
4155 1 7 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.536 0.550 25125
4156 1 7 . 1 1 8 8 VAL C C 8 173.874 173.874 173.906 -0.032 25125
4157 1 7 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.036 -0.550 25125
4158 1 7 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.786 -0.071 25125
4159 1 7 . 1 1 8 8 VAL H H 8 8.583 8.583 9.340 -0.757 25125
4160 1 7 . 1 1 9 9 VAL N N 9 127.733 127.733 123.997 3.736 25125
4161 1 7 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.649 0.312 25125
4162 1 7 . 1 1 9 9 VAL C C 9 173.131 173.131 173.554 -0.423 25125
4163 1 7 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.254 -0.579 25125
4164 1 7 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.301 -1.391 25125
4165 1 7 . 1 1 9 9 VAL H H 9 9.107 9.107 8.457 0.650 25125
4166 1 7 . 1 1 10 10 ASP N N 10 124.306 124.306 126.252 -1.946 25125
4167 1 7 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.072 -0.503 25125
4168 1 7 . 1 1 10 10 ASP C C 10 175.029 175.029 174.361 0.668 25125
4169 1 7 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.278 1.469 25125
4170 1 7 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.280 0.829 25125
4171 1 7 . 1 1 10 10 ASP H H 10 7.775 7.775 8.084 -0.309 25125
4172 1 7 . 1 1 11 11 ASP N N 11 126.714 126.714 117.524 9.190 25125
4173 1 7 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.816 -0.281 25125
4174 1 7 . 1 1 11 11 ASP C C 11 175.689 175.689 175.326 0.363 25125
4175 1 7 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.846 1.872 25125
4176 1 7 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.529 -0.455 25125
4177 1 7 . 1 1 11 11 ASP H H 11 9.033 9.033 8.553 0.480 25125
4178 1 7 . 1 1 12 12 ASP N N 12 121.877 121.877 118.776 3.101 25125
4179 1 7 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.865 -0.219 25125
4180 1 7 . 1 1 12 12 ASP C C 12 177.036 177.036 176.520 0.516 25125
4181 1 7 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.504 -0.201 25125
4182 1 7 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.396 -2.232 25125
4183 1 7 . 1 1 12 12 ASP H H 12 9.570 9.570 7.913 1.657 25125
4184 1 7 . 1 1 13 13 SER N N 13 123.799 123.799 119.003 4.796 25125
4185 1 7 . 1 1 13 13 SER HA H 13 3.761 3.761 4.256 -0.495 25125
4186 1 7 . 1 1 13 13 SER C C 13 176.156 176.156 175.951 0.205 25125
4187 1 7 . 1 1 13 13 SER CA C 13 61.186 61.186 61.961 -0.775 25125
4188 1 7 . 1 1 13 13 SER CB C 13 62.749 62.749 63.151 -0.402 25125
4189 1 7 . 1 1 13 13 SER H H 13 8.850 8.850 8.808 0.042 25125
4190 1 7 . 1 1 14 14 SER N N 14 119.123 119.123 117.679 1.444 25125
4191 1 7 . 1 1 14 14 SER HA H 14 4.361 4.361 4.364 -0.003 25125
4192 1 7 . 1 1 14 14 SER C C 14 176.404 176.404 176.309 0.095 25125
4193 1 7 . 1 1 14 14 SER CA C 14 61.730 61.730 61.001 0.729 25125
4194 1 7 . 1 1 14 14 SER CB C 14 62.548 62.548 62.696 -0.148 25125
4195 1 7 . 1 1 14 14 SER H H 14 8.531 8.531 8.536 -0.005 25125
4196 1 7 . 1 1 15 15 ILE N N 15 123.637 123.637 121.566 2.071 25125
4197 1 7 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.968 -0.023 25125
4198 1 7 . 1 1 15 15 ILE C C 15 177.861 177.861 177.660 0.201 25125
4199 1 7 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.329 -2.129 25125
4200 1 7 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.066 -1.180 25125
4201 1 7 . 1 1 15 15 ILE H H 15 7.206 7.206 8.021 -0.815 25125
4202 1 7 . 1 1 16 16 ARG N N 16 116.694 116.694 118.688 -1.994 25125
4203 1 7 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.203 -0.480 25125
4204 1 7 . 1 1 16 16 ARG C C 16 177.448 177.448 178.112 -0.664 25125
4205 1 7 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.792 2.781 25125
4206 1 7 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.624 0.823 25125
4207 1 7 . 1 1 16 16 ARG H H 16 7.562 7.562 7.459 0.103 25125
4208 1 7 . 1 1 17 17 TRP N N 17 116.848 116.848 123.364 -6.516 25125
4209 1 7 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.340 0.131 25125
4210 1 7 . 1 1 17 17 TRP CA C 17 60.440 60.440 62.211 -1.770 25125
4211 1 7 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.680 -0.388 25125
4212 1 7 . 1 1 17 17 TRP H H 17 8.005 8.005 8.364 -0.359 25125
4213 1 7 . 1 1 18 18 VAL N N 18 116.964 116.964 115.761 1.203 25125
4214 1 7 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.798 0.877 25125
4215 1 7 . 1 1 18 18 VAL C C 18 179.181 179.181 177.668 1.513 25125
4216 1 7 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.423 0.285 25125
4217 1 7 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.287 0.350 25125
4218 1 7 . 1 1 18 18 VAL H H 18 8.110 8.110 7.536 0.574 25125
4219 1 7 . 1 1 19 19 LEU N N 19 120.186 120.186 119.000 1.186 25125
4220 1 7 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.223 -0.148 25125
4221 1 7 . 1 1 19 19 LEU C C 19 177.778 177.778 178.802 -1.024 25125
4222 1 7 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.882 0.940 25125
4223 1 7 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.831 -0.050 25125
4224 1 7 . 1 1 19 19 LEU H H 19 8.073 8.073 7.433 0.640 25125
4225 1 7 . 1 1 20 20 GLU N N 20 120.193 120.193 120.717 -0.524 25125
4226 1 7 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.972 -0.031 25125
4227 1 7 . 1 1 20 20 GLU C C 20 178.603 178.603 179.039 -0.436 25125
4228 1 7 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.995 0.615 25125
4229 1 7 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.616 -0.528 25125
4230 1 7 . 1 1 20 20 GLU H H 20 8.387 8.387 8.225 0.162 25125
4231 1 7 . 1 1 21 21 ARG N N 21 116.076 116.076 118.157 -2.081 25125
4232 1 7 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.925 -0.032 25125
4233 1 7 . 1 1 21 21 ARG C C 21 179.676 179.676 178.460 1.216 25125
4234 1 7 . 1 1 21 21 ARG CA C 21 58.449 58.449 59.253 -0.804 25125
4235 1 7 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.713 0.140 25125
4236 1 7 . 1 1 21 21 ARG H H 21 7.602 7.602 8.139 -0.537 25125
4237 1 7 . 1 1 22 22 ALA N N 22 122.405 122.405 122.165 0.240 25125
4238 1 7 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.040 0.057 25125
4239 1 7 . 1 1 22 22 ALA C C 22 180.501 180.501 179.426 1.075 25125
4240 1 7 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.830 -0.252 25125
4241 1 7 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.221 1.011 25125
4242 1 7 . 1 1 22 22 ALA H H 22 7.992 7.992 7.487 0.505 25125
4243 1 7 . 1 1 23 23 LEU N N 23 118.026 118.026 116.848 1.178 25125
4244 1 7 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.229 -0.228 25125
4245 1 7 . 1 1 23 23 LEU C C 23 178.878 178.878 179.140 -0.262 25125
4246 1 7 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.615 1.106 25125
4247 1 7 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.999 -2.344 25125
4248 1 7 . 1 1 23 23 LEU H H 23 8.825 8.825 7.322 1.503 25125
4249 1 7 . 1 1 24 24 ALA N N 24 122.159 122.159 122.533 -0.374 25125
4250 1 7 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.062 0.571 25125
4251 1 7 . 1 1 24 24 ALA C C 24 183.141 183.141 179.037 4.104 25125
4252 1 7 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.537 0.210 25125
4253 1 7 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.698 -0.997 25125
4254 1 7 . 1 1 24 24 ALA H H 24 8.125 8.125 8.259 -0.134 25125
4255 1 7 . 1 1 25 25 GLY N N 25 106.891 106.891 105.317 1.574 25125
4256 1 7 . 1 1 25 25 GLY C C 25 174.286 174.286 174.075 0.211 25125
4257 1 7 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.889 1.532 25125
4258 1 7 . 1 1 25 25 GLY H H 25 7.870 7.870 8.112 -0.242 25125
4259 1 7 . 1 1 26 26 ALA N N 26 121.819 121.819 123.546 -1.727 25125
4260 1 7 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.562 -0.063 25125
4261 1 7 . 1 1 26 26 ALA C C 26 176.953 176.953 177.983 -1.030 25125
4262 1 7 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.092 0.427 25125
4263 1 7 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.993 -1.271 25125
4264 1 7 . 1 1 26 26 ALA H H 26 7.285 7.285 7.198 0.087 25125
4265 1 7 . 1 1 27 27 GLY N N 27 106.197 106.197 106.955 -0.758 25125
4266 1 7 . 1 1 27 27 GLY C C 27 173.956 173.956 172.865 1.091 25125
4267 1 7 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.250 0.066 25125
4268 1 7 . 1 1 27 27 GLY H H 27 7.824 7.824 8.586 -0.762 25125
4269 1 7 . 1 1 28 28 LEU N N 28 120.291 120.291 117.427 2.864 25125
4270 1 7 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.710 -0.135 25125
4271 1 7 . 1 1 28 28 LEU C C 28 175.881 175.881 176.752 -0.871 25125
4272 1 7 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.831 0.812 25125
4273 1 7 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.843 -2.357 25125
4274 1 7 . 1 1 28 28 LEU H H 28 7.678 7.678 7.080 0.598 25125
4275 1 7 . 1 1 29 29 THR N N 29 118.040 118.040 117.990 0.050 25125
4276 1 7 . 1 1 29 29 THR HA H 29 4.335 4.335 4.241 0.094 25125
4277 1 7 . 1 1 29 29 THR C C 29 173.186 173.186 174.019 -0.833 25125
4278 1 7 . 1 1 29 29 THR CA C 29 62.479 62.479 64.448 -1.969 25125
4279 1 7 . 1 1 29 29 THR CB C 29 69.465 69.465 69.414 0.051 25125
4280 1 7 . 1 1 29 29 THR H H 29 8.527 8.527 8.675 -0.148 25125
4281 1 7 . 1 1 30 30 CYS N N 30 128.387 128.387 121.778 6.609 25125
4282 1 7 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.251 0.692 25125
4283 1 7 . 1 1 30 30 CYS C C 30 173.846 173.846 174.344 -0.498 25125
4284 1 7 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.954 -0.592 25125
4285 1 7 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.767 -0.287 25125
4286 1 7 . 1 1 30 30 CYS H H 30 8.968 8.968 8.532 0.436 25125
4287 1 7 . 1 1 31 31 THR N N 31 126.481 126.481 123.519 2.962 25125
4288 1 7 . 1 1 31 31 THR HA H 31 4.433 4.433 4.407 0.026 25125
4289 1 7 . 1 1 31 31 THR C C 31 172.609 172.609 173.291 -0.682 25125
4290 1 7 . 1 1 31 31 THR CA C 31 61.951 61.951 61.547 0.404 25125
4291 1 7 . 1 1 31 31 THR CB C 31 70.567 70.567 69.913 0.654 25125
4292 1 7 . 1 1 31 31 THR H H 31 8.614 8.614 8.574 0.040 25125
4293 1 7 . 1 1 32 32 THR N N 32 116.418 116.418 118.397 -1.979 25125
4294 1 7 . 1 1 32 32 THR HA H 32 5.330 5.330 5.264 0.066 25125
4295 1 7 . 1 1 32 32 THR C C 32 172.306 172.306 172.829 -0.523 25125
4296 1 7 . 1 1 32 32 THR CA C 32 59.173 59.173 60.359 -1.186 25125
4297 1 7 . 1 1 32 32 THR CB C 32 70.917 70.917 69.648 1.269 25125
4298 1 7 . 1 1 32 32 THR H H 32 8.299 8.299 8.207 0.092 25125
4299 1 7 . 1 1 33 33 PHE N N 33 118.067 118.067 123.623 -5.556 25125
4300 1 7 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.821 -0.178 25125
4301 1 7 . 1 1 33 33 PHE C C 33 174.341 174.341 176.603 -2.262 25125
4302 1 7 . 1 1 33 33 PHE CA C 33 56.532 56.532 55.980 0.552 25125
4303 1 7 . 1 1 33 33 PHE CB C 33 43.309 43.309 41.990 1.319 25125
4304 1 7 . 1 1 33 33 PHE H H 33 8.890 8.890 8.865 0.025 25125
4305 1 7 . 1 1 34 34 GLU N N 34 118.499 118.499 118.232 0.267 25125
4306 1 7 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.703 -0.349 25125
4307 1 7 . 1 1 34 34 GLU C C 34 175.414 175.414 175.639 -0.225 25125
4308 1 7 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.157 0.535 25125
4309 1 7 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.764 -0.297 25125
4310 1 7 . 1 1 34 34 GLU H H 34 9.023 9.023 8.953 0.070 25125
4311 1 7 . 1 1 35 35 ASN N N 35 109.907 109.907 118.828 -8.921 25125
4312 1 7 . 1 1 35 35 ASN HA H 35 4.781 4.781 5.030 -0.249 25125
4313 1 7 . 1 1 35 35 ASN C C 35 175.139 175.139 176.634 -1.495 25125
4314 1 7 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.415 -0.269 25125
4315 1 7 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.352 0.971 25125
4316 1 7 . 1 1 35 35 ASN H H 35 7.401 7.401 7.690 -0.289 25125
4317 1 7 . 1 1 36 36 GLY N N 36 106.739 106.739 113.114 -6.375 25125
4318 1 7 . 1 1 36 36 GLY C C 36 174.616 174.616 175.355 -0.739 25125
4319 1 7 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.306 -0.290 25125
4320 1 7 . 1 1 36 36 GLY H H 36 8.877 8.877 9.073 -0.196 25125
4321 1 7 . 1 1 37 37 ASN N N 37 120.462 120.462 118.637 1.825 25125
4322 1 7 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.436 -0.074 25125
4323 1 7 . 1 1 37 37 ASN C C 37 178.686 178.686 177.289 1.397 25125
4324 1 7 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.636 0.896 25125
4325 1 7 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.489 -0.904 25125
4326 1 7 . 1 1 37 37 ASN H H 37 8.366 8.366 8.611 -0.245 25125
4327 1 7 . 1 1 38 38 GLU N N 38 119.360 119.360 117.501 1.859 25125
4328 1 7 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.249 -0.179 25125
4329 1 7 . 1 1 38 38 GLU C C 38 179.263 179.263 177.685 1.578 25125
4330 1 7 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.823 0.809 25125
4331 1 7 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.024 0.508 25125
4332 1 7 . 1 1 38 38 GLU H H 38 7.990 7.990 8.229 -0.239 25125
4333 1 7 . 1 1 39 39 VAL N N 39 119.259 119.259 119.526 -0.267 25125
4334 1 7 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.134 -0.366 25125
4335 1 7 . 1 1 39 39 VAL C C 39 176.431 176.431 177.273 -0.842 25125
4336 1 7 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.449 -0.506 25125
4337 1 7 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.867 -0.792 25125
4338 1 7 . 1 1 39 39 VAL H H 39 6.883 6.883 7.661 -0.778 25125
4339 1 7 . 1 1 40 40 LEU N N 40 119.627 119.627 121.165 -1.538 25125
4340 1 7 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.989 -0.062 25125
4341 1 7 . 1 1 40 40 LEU C C 40 179.538 179.538 178.034 1.504 25125
4342 1 7 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.077 -0.137 25125
4343 1 7 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.494 -0.426 25125
4344 1 7 . 1 1 40 40 LEU H H 40 7.692 7.692 8.015 -0.323 25125
4345 1 7 . 1 1 41 41 ALA N N 41 120.051 120.051 119.669 0.382 25125
4346 1 7 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.141 -0.001 25125
4347 1 7 . 1 1 41 41 ALA C C 41 180.528 180.528 179.283 1.245 25125
4348 1 7 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.447 0.203 25125
4349 1 7 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.961 -0.095 25125
4350 1 7 . 1 1 41 41 ALA H H 41 7.553 7.553 7.891 -0.338 25125
4351 1 7 . 1 1 42 42 ALA N N 42 122.731 122.731 122.446 0.285 25125
4352 1 7 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.160 0.039 25125
4353 1 7 . 1 1 42 42 ALA C C 42 180.198 180.198 180.413 -0.215 25125
4354 1 7 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.557 0.475 25125
4355 1 7 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.207 1.192 25125
4356 1 7 . 1 1 42 42 ALA H H 42 7.604 7.604 7.204 0.400 25125
4357 1 7 . 1 1 43 43 LEU N N 43 119.131 119.131 118.519 0.612 25125
4358 1 7 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.989 1.217 25125
4359 1 7 . 1 1 43 43 LEU C C 43 177.421 177.421 179.066 -1.645 25125
4360 1 7 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.473 -1.928 25125
4361 1 7 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.034 1.570 25125
4362 1 7 . 1 1 43 43 LEU H H 43 8.288 8.288 8.035 0.253 25125
4363 1 7 . 1 1 44 44 ALA N N 44 119.065 119.065 119.207 -0.142 25125
4364 1 7 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.217 0.012 25125
4365 1 7 . 1 1 44 44 ALA C C 44 178.686 178.686 178.563 0.123 25125
4366 1 7 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.766 0.472 25125
4367 1 7 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.384 0.132 25125
4368 1 7 . 1 1 44 44 ALA H H 44 7.302 7.302 7.778 -0.476 25125
4369 1 7 . 1 1 45 45 SER N N 45 108.656 108.656 115.723 -7.067 25125
4370 1 7 . 1 1 45 45 SER HA H 45 4.742 4.742 4.387 0.355 25125
4371 1 7 . 1 1 45 45 SER C C 45 173.296 173.296 176.325 -3.029 25125
4372 1 7 . 1 1 45 45 SER CA C 45 58.656 58.656 60.904 -2.248 25125
4373 1 7 . 1 1 45 45 SER CB C 45 65.407 65.407 63.766 1.641 25125
4374 1 7 . 1 1 45 45 SER H H 45 7.728 7.728 8.174 -0.446 25125
4375 1 7 . 1 1 46 46 LYS N N 46 123.016 123.016 117.138 5.878 25125
4376 1 7 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.584 0.002 25125
4377 1 7 . 1 1 46 46 LYS C C 46 172.719 172.719 175.899 -3.180 25125
4378 1 7 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.263 -0.751 25125
4379 1 7 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.549 1.676 25125
4380 1 7 . 1 1 46 46 LYS H H 46 8.101 8.101 7.857 0.244 25125
4381 1 7 . 1 1 47 47 THR N N 47 111.780 111.780 115.445 -3.665 25125
4382 1 7 . 1 1 47 47 THR HA H 47 4.282 4.282 3.975 0.307 25125
4383 1 7 . 1 1 47 47 THR CA C 47 57.806 57.806 62.239 -4.433 25125
4384 1 7 . 1 1 47 47 THR CB C 47 70.594 70.594 68.079 2.514 25125
4385 1 7 . 1 1 47 47 THR H H 47 7.677 7.677 7.884 -0.207 25125
4386 1 7 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.937 -0.032 25125
4387 1 7 . 1 1 48 48 PRO C C 48 172.966 172.966 175.063 -2.097 25125
4388 1 7 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.032 -1.167 25125
4389 1 7 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.620 -1.343 25125
4390 1 7 . 1 1 49 49 ASP N N 49 115.035 115.035 118.033 -2.998 25125
4391 1 7 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.722 -0.278 25125
4392 1 7 . 1 1 49 49 ASP C C 49 175.634 175.634 175.818 -0.184 25125
4393 1 7 . 1 1 49 49 ASP CA C 49 56.447 56.447 53.997 2.450 25125
4394 1 7 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.421 -0.909 25125
4395 1 7 . 1 1 49 49 ASP H H 49 8.502 8.502 8.018 0.484 25125
4396 1 7 . 1 1 50 50 VAL N N 50 112.082 112.082 116.123 -4.041 25125
4397 1 7 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.679 -0.399 25125
4398 1 7 . 1 1 50 50 VAL C C 50 171.454 171.454 172.664 -1.210 25125
4399 1 7 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.239 -0.677 25125
4400 1 7 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.840 0.796 25125
4401 1 7 . 1 1 50 50 VAL H H 50 7.173 7.173 7.222 -0.049 25125
4402 1 7 . 1 1 51 51 LEU N N 51 128.247 128.247 125.022 3.225 25125
4403 1 7 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.497 -0.178 25125
4404 1 7 . 1 1 51 51 LEU C C 51 173.104 173.104 174.906 -1.802 25125
4405 1 7 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.060 0.158 25125
4406 1 7 . 1 1 51 51 LEU CB C 51 46.506 46.506 47.125 -0.619 25125
4407 1 7 . 1 1 51 51 LEU H H 51 8.059 8.059 7.917 0.142 25125
4408 1 7 . 1 1 52 52 LEU N N 52 128.407 128.407 120.821 7.586 25125
4409 1 7 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.197 0.304 25125
4410 1 7 . 1 1 52 52 LEU C C 52 175.414 175.414 176.249 -0.835 25125
4411 1 7 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.065 0.258 25125
4412 1 7 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.001 2.520 25125
4413 1 7 . 1 1 52 52 LEU H H 52 9.242 9.242 8.215 1.027 25125
4414 1 7 . 1 1 53 53 SER N N 53 114.946 114.946 118.428 -3.482 25125
4415 1 7 . 1 1 53 53 SER HA H 53 5.595 5.595 4.338 1.257 25125
4416 1 7 . 1 1 53 53 SER C C 53 174.644 174.644 173.613 1.031 25125
4417 1 7 . 1 1 53 53 SER CA C 53 55.954 55.954 58.670 -2.716 25125
4418 1 7 . 1 1 53 53 SER CB C 53 66.473 66.473 64.239 2.234 25125
4419 1 7 . 1 1 53 53 SER H H 53 8.695 8.695 8.177 0.518 25125
4420 1 7 . 1 1 54 54 ASP N N 54 128.341 128.341 126.159 2.182 25125
4421 1 7 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.161 0.164 25125
4422 1 7 . 1 1 54 54 ASP C C 54 176.816 176.816 175.819 0.997 25125
4423 1 7 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.809 1.684 25125
4424 1 7 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.230 0.098 25125
4425 1 7 . 1 1 54 54 ASP H H 54 7.886 7.886 8.204 -0.318 25125
4426 1 7 . 1 1 55 55 ILE N N 55 121.229 121.229 124.704 -3.475 25125
4427 1 7 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.943 0.242 25125
4428 1 7 . 1 1 55 55 ILE C C 55 175.084 175.084 174.766 0.318 25125
4429 1 7 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.237 -0.695 25125
4430 1 7 . 1 1 55 55 ILE CB C 55 39.029 39.029 37.446 1.583 25125
4431 1 7 . 1 1 55 55 ILE H H 55 8.722 8.722 8.552 0.170 25125
4432 1 7 . 1 1 56 56 ARG N N 56 124.188 124.188 123.240 0.948 25125
4433 1 7 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.436 0.069 25125
4434 1 7 . 1 1 56 56 ARG C C 56 175.661 175.661 174.480 1.181 25125
4435 1 7 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.055 -0.614 25125
4436 1 7 . 1 1 56 56 ARG CB C 56 30.362 30.362 29.655 0.707 25125
4437 1 7 . 1 1 56 56 ARG H H 56 8.499 8.499 8.213 0.286 25125
4438 1 7 . 1 1 57 57 MET N N 57 122.581 122.581 117.433 5.148 25125
4439 1 7 . 1 1 57 57 MET HA H 57 4.821 4.821 5.017 -0.196 25125
4440 1 7 . 1 1 57 57 MET CA C 57 53.132 53.132 53.054 0.078 25125
4441 1 7 . 1 1 57 57 MET CB C 57 33.445 33.445 33.290 0.155 25125
4442 1 7 . 1 1 57 57 MET H H 57 7.956 7.956 7.710 0.246 25125
4443 1 7 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.479 -0.086 25125
4444 1 7 . 1 1 58 58 PRO C C 58 177.806 177.806 178.043 -0.237 25125
4445 1 7 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.067 0.432 25125
4446 1 7 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.308 -0.501 25125
4447 1 7 . 1 1 59 59 GLY N N 59 111.082 111.082 107.237 3.845 25125
4448 1 7 . 1 1 59 59 GLY C C 59 173.626 173.626 175.036 -1.410 25125
4449 1 7 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.861 -0.271 25125
4450 1 7 . 1 1 59 59 GLY H H 59 8.653 8.653 8.495 0.158 25125
4451 1 7 . 1 1 60 60 MET N N 60 120.052 120.052 121.369 -1.317 25125
4452 1 7 . 1 1 60 60 MET HA H 60 4.525 4.525 4.386 0.139 25125
4453 1 7 . 1 1 60 60 MET C C 60 173.956 173.956 175.570 -1.614 25125
4454 1 7 . 1 1 60 60 MET CA C 60 55.047 55.047 55.993 -0.946 25125
4455 1 7 . 1 1 60 60 MET CB C 60 34.506 34.506 33.260 1.246 25125
4456 1 7 . 1 1 60 60 MET H H 60 7.968 7.968 8.099 -0.131 25125
4457 1 7 . 1 1 61 61 ASP N N 61 121.306 121.306 117.298 4.008 25125
4458 1 7 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.833 -0.129 25125
4459 1 7 . 1 1 61 61 ASP C C 61 176.761 176.761 177.244 -0.483 25125
4460 1 7 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.071 -0.342 25125
4461 1 7 . 1 1 61 61 ASP CB C 61 41.069 41.069 42.318 -1.249 25125
4462 1 7 . 1 1 61 61 ASP H H 61 8.379 8.379 8.352 0.027 25125
4463 1 7 . 1 1 62 62 GLY N N 62 110.874 110.874 109.379 1.495 25125
4464 1 7 . 1 1 62 62 GLY C C 62 175.194 175.194 175.880 -0.686 25125
4465 1 7 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.762 0.339 25125
4466 1 7 . 1 1 62 62 GLY H H 62 8.707 8.707 8.526 0.181 25125
4467 1 7 . 1 1 63 63 LEU N N 63 121.299 121.299 119.309 1.990 25125
4468 1 7 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.525 -0.348 25125
4469 1 7 . 1 1 63 63 LEU C C 63 178.356 178.356 178.356 0.000 25125
4470 1 7 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.278 1.601 25125
4471 1 7 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.567 0.671 25125
4472 1 7 . 1 1 63 63 LEU H H 63 8.045 8.045 7.793 0.252 25125
4473 1 7 . 1 1 64 64 ALA N N 64 122.741 122.741 122.432 0.309 25125
4474 1 7 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.084 -0.022 25125
4475 1 7 . 1 1 64 64 ALA C C 64 180.556 180.556 179.244 1.312 25125
4476 1 7 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.087 -0.472 25125
4477 1 7 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.093 -0.093 25125
4478 1 7 . 1 1 64 64 ALA H H 64 7.859 7.859 8.247 -0.388 25125
4479 1 7 . 1 1 65 65 LEU N N 65 120.287 120.287 114.997 5.290 25125
4480 1 7 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.408 -0.346 25125
4481 1 7 . 1 1 65 65 LEU C C 65 178.191 178.191 178.374 -0.183 25125
4482 1 7 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.693 1.326 25125
4483 1 7 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.208 -0.970 25125
4484 1 7 . 1 1 65 65 LEU H H 65 8.022 8.022 7.568 0.454 25125
4485 1 7 . 1 1 66 66 LEU N N 66 118.738 118.738 120.024 -1.286 25125
4486 1 7 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.196 -0.338 25125
4487 1 7 . 1 1 66 66 LEU C C 66 178.631 178.631 178.773 -0.142 25125
4488 1 7 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.552 1.794 25125
4489 1 7 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.975 0.263 25125
4490 1 7 . 1 1 66 66 LEU H H 66 8.101 8.101 7.837 0.264 25125
4491 1 7 . 1 1 67 67 LYS N N 67 117.842 117.842 117.337 0.505 25125
4492 1 7 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.131 -0.149 25125
4493 1 7 . 1 1 67 67 LYS C C 67 179.263 179.263 178.431 0.832 25125
4494 1 7 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.579 1.218 25125
4495 1 7 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.956 0.251 25125
4496 1 7 . 1 1 67 67 LYS H H 67 8.010 8.010 8.191 -0.181 25125
4497 1 7 . 1 1 68 68 GLN N N 68 118.875 118.875 117.007 1.868 25125
4498 1 7 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.341 -0.285 25125
4499 1 7 . 1 1 68 68 GLN C C 68 179.071 179.071 177.489 1.582 25125
4500 1 7 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.137 0.936 25125
4501 1 7 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.735 -0.124 25125
4502 1 7 . 1 1 68 68 GLN H H 68 7.809 7.809 7.467 0.342 25125
4503 1 7 . 1 1 69 69 ILE N N 69 120.377 120.377 121.772 -1.395 25125
4504 1 7 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.970 -0.440 25125
4505 1 7 . 1 1 69 69 ILE C C 69 177.421 177.421 178.072 -0.651 25125
4506 1 7 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.964 0.914 25125
4507 1 7 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.669 -0.085 25125
4508 1 7 . 1 1 69 69 ILE H H 69 8.481 8.481 7.567 0.914 25125
4509 1 7 . 1 1 70 70 LYS N N 70 117.873 117.873 117.080 0.793 25125
4510 1 7 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.222 -0.262 25125
4511 1 7 . 1 1 70 70 LYS C C 70 178.053 178.053 177.734 0.319 25125
4512 1 7 . 1 1 70 70 LYS CA C 70 57.088 57.088 57.722 -0.634 25125
4513 1 7 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.861 -0.649 25125
4514 1 7 . 1 1 70 70 LYS H H 70 8.220 8.220 7.925 0.295 25125
4515 1 7 . 1 1 71 71 GLN N N 71 116.315 116.315 117.671 -1.356 25125
4516 1 7 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.224 -0.232 25125
4517 1 7 . 1 1 71 71 GLN C C 71 177.366 177.366 177.921 -0.555 25125
4518 1 7 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.746 0.444 25125
4519 1 7 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.323 -0.658 25125
4520 1 7 . 1 1 71 71 GLN H H 71 7.601 7.601 7.534 0.067 25125
4521 1 7 . 1 1 72 72 ARG N N 72 116.530 116.530 117.186 -0.656 25125
4522 1 7 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.171 -0.141 25125
4523 1 7 . 1 1 72 72 ARG C C 72 175.826 175.826 176.474 -0.648 25125
4524 1 7 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.276 -0.054 25125
4525 1 7 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.956 -0.154 25125
4526 1 7 . 1 1 72 72 ARG H H 72 7.301 7.301 8.202 -0.901 25125
4527 1 7 . 1 1 73 73 HIS N N 73 116.755 116.755 116.759 -0.004 25125
4528 1 7 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.016 -0.056 25125
4529 1 7 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.639 -0.421 25125
4530 1 7 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.133 0.429 25125
4531 1 7 . 1 1 73 73 HIS H H 73 8.331 8.331 7.876 0.455 25125
4532 1 7 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.420 0.079 25125
4533 1 7 . 1 1 74 74 PRO C C 74 178.466 178.466 177.641 0.825 25125
4534 1 7 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.810 0.303 25125
4535 1 7 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.262 -0.167 25125
4536 1 7 . 1 1 75 75 MET N N 75 114.814 114.814 116.576 -1.762 25125
4537 1 7 . 1 1 75 75 MET HA H 75 4.567 4.567 4.440 0.127 25125
4538 1 7 . 1 1 75 75 MET C C 75 176.046 176.046 175.462 0.584 25125
4539 1 7 . 1 1 75 75 MET CA C 75 54.266 54.266 55.619 -1.353 25125
4540 1 7 . 1 1 75 75 MET CB C 75 31.288 31.288 32.553 -1.265 25125
4541 1 7 . 1 1 75 75 MET H H 75 8.623 8.623 8.024 0.599 25125
4542 1 7 . 1 1 76 76 LEU N N 76 125.533 125.533 122.184 3.349 25125
4543 1 7 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.715 -0.410 25125
4544 1 7 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.354 1.758 25125
4545 1 7 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.111 0.574 25125
4546 1 7 . 1 1 76 76 LEU H H 76 7.337 7.337 7.104 0.233 25125
4547 1 7 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.571 -0.125 25125
4548 1 7 . 1 1 77 77 PRO C C 77 174.974 174.974 175.647 -0.673 25125
4549 1 7 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.831 -0.005 25125
4550 1 7 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.467 -0.745 25125
4551 1 7 . 1 1 78 78 VAL N N 78 123.779 123.779 119.259 4.520 25125
4552 1 7 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.836 0.188 25125
4553 1 7 . 1 1 78 78 VAL C C 78 175.441 175.441 175.096 0.345 25125
4554 1 7 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.973 -0.780 25125
4555 1 7 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.618 -2.325 25125
4556 1 7 . 1 1 78 78 VAL H H 78 8.317 8.317 8.155 0.162 25125
4557 1 7 . 1 1 79 79 ILE N N 79 128.334 128.334 120.387 7.947 25125
4558 1 7 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.818 -0.337 25125
4559 1 7 . 1 1 79 79 ILE C C 79 174.479 174.479 174.896 -0.417 25125
4560 1 7 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.009 -0.487 25125
4561 1 7 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.927 -1.964 25125
4562 1 7 . 1 1 79 79 ILE H H 79 9.292 9.292 8.317 0.975 25125
4563 1 7 . 1 1 80 80 ILE N N 80 127.023 127.023 127.050 -0.027 25125
4564 1 7 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.174 0.685 25125
4565 1 7 . 1 1 80 80 ILE C C 80 175.029 175.029 175.219 -0.190 25125
4566 1 7 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.397 -2.240 25125
4567 1 7 . 1 1 80 80 ILE CB C 80 37.944 37.944 38.643 -0.699 25125
4568 1 7 . 1 1 80 80 ILE H H 80 7.938 7.938 8.883 -0.945 25125
4569 1 7 . 1 1 81 81 MET N N 81 127.255 127.255 126.851 0.404 25125
4570 1 7 . 1 1 81 81 MET HA H 81 5.521 5.521 5.359 0.162 25125
4571 1 7 . 1 1 81 81 MET C C 81 174.534 174.534 175.326 -0.792 25125
4572 1 7 . 1 1 81 81 MET CA C 81 53.513 53.513 55.148 -1.635 25125
4573 1 7 . 1 1 81 81 MET CB C 81 35.483 35.483 35.572 -0.089 25125
4574 1 7 . 1 1 81 81 MET H H 81 8.801 8.801 8.686 0.115 25125
4575 1 7 . 1 1 82 82 THR N N 82 112.857 112.857 117.421 -4.564 25125
4576 1 7 . 1 1 82 82 THR HA H 82 4.914 4.914 4.421 0.493 25125
4577 1 7 . 1 1 82 82 THR C C 82 172.581 172.581 174.276 -1.695 25125
4578 1 7 . 1 1 82 82 THR CA C 82 59.561 59.561 63.450 -3.889 25125
4579 1 7 . 1 1 82 82 THR CB C 82 69.989 69.989 69.312 0.677 25125
4580 1 7 . 1 1 82 82 THR H H 82 7.623 7.623 8.474 -0.851 25125
4581 1 7 . 1 1 83 83 ALA N N 83 129.541 129.541 123.876 5.665 25125
4582 1 7 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.961 0.747 25125
4583 1 7 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.080 -1.542 25125
4584 1 7 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.172 1.975 25125
4585 1 7 . 1 1 83 83 ALA H H 83 9.149 9.149 8.236 0.913 25125
4586 1 7 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.637 -0.365 25125
4587 1 7 . 1 1 84 84 HIS CA C 84 59.700 59.700 54.563 5.137 25125
4588 1 7 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.415 -0.397 25125
4589 1 7 . 1 1 85 85 SER N N 85 112.633 112.633 117.147 -4.514 25125
4590 1 7 . 1 1 85 85 SER HA H 85 4.198 4.198 4.089 0.109 25125
4591 1 7 . 1 1 85 85 SER C C 85 174.506 174.506 173.375 1.131 25125
4592 1 7 . 1 1 85 85 SER CA C 85 59.823 59.823 59.523 0.301 25125
4593 1 7 . 1 1 85 85 SER CB C 85 62.693 62.693 62.293 0.400 25125
4594 1 7 . 1 1 85 85 SER H H 85 8.224 8.224 8.834 -0.610 25125
4595 1 7 . 1 1 86 86 ASP N N 86 120.886 120.886 117.556 3.330 25125
4596 1 7 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.538 0.398 25125
4597 1 7 . 1 1 86 86 ASP C C 86 175.881 175.881 176.807 -0.926 25125
4598 1 7 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.224 -1.290 25125
4599 1 7 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.727 1.276 25125
4600 1 7 . 1 1 86 86 ASP H H 86 7.608 7.608 8.363 -0.755 25125
4601 1 7 . 1 1 87 87 LEU N N 87 121.913 121.913 122.069 -0.156 25125
4602 1 7 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.626 0.293 25125
4603 1 7 . 1 1 87 87 LEU C C 87 177.586 177.586 178.252 -0.666 25125
4604 1 7 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.535 -0.698 25125
4605 1 7 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.452 0.863 25125
4606 1 7 . 1 1 87 87 LEU H H 87 7.498 7.498 8.064 -0.566 25125
4607 1 7 . 1 1 88 88 ASP N N 88 117.621 117.621 117.881 -0.260 25125
4608 1 7 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.214 0.058 25125
4609 1 7 . 1 1 88 88 ASP C C 88 178.246 178.246 177.810 0.436 25125
4610 1 7 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.596 -0.785 25125
4611 1 7 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.473 -0.339 25125
4612 1 7 . 1 1 88 88 ASP H H 88 8.322 8.322 8.666 -0.344 25125
4613 1 7 . 1 1 89 89 ALA N N 89 122.874 122.874 121.273 1.601 25125
4614 1 7 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.373 -0.279 25125
4615 1 7 . 1 1 89 89 ALA C C 89 179.346 179.346 179.364 -0.018 25125
4616 1 7 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.247 -0.094 25125
4617 1 7 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.860 -0.599 25125
4618 1 7 . 1 1 89 89 ALA H H 89 7.838 7.838 7.780 0.058 25125
4619 1 7 . 1 1 90 90 ALA N N 90 121.673 121.673 122.374 -0.701 25125
4620 1 7 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.046 -0.113 25125
4621 1 7 . 1 1 90 90 ALA C C 90 178.686 178.686 180.336 -1.650 25125
4622 1 7 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.008 -0.345 25125
4623 1 7 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.078 0.304 25125
4624 1 7 . 1 1 90 90 ALA H H 90 7.896 7.896 8.410 -0.514 25125
4625 1 7 . 1 1 91 91 VAL N N 91 117.749 117.749 117.620 0.129 25125
4626 1 7 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.915 -0.303 25125
4627 1 7 . 1 1 91 91 VAL C C 91 178.411 178.411 177.290 1.121 25125
4628 1 7 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.656 -1.474 25125
4629 1 7 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.947 -0.310 25125
4630 1 7 . 1 1 91 91 VAL H H 91 8.098 8.098 8.493 -0.395 25125
4631 1 7 . 1 1 92 92 SER N N 92 114.942 114.942 113.554 1.388 25125
4632 1 7 . 1 1 92 92 SER HA H 92 4.231 4.231 4.470 -0.239 25125
4633 1 7 . 1 1 92 92 SER C C 92 175.826 175.826 175.647 0.179 25125
4634 1 7 . 1 1 92 92 SER CA C 92 60.649 60.649 59.995 0.654 25125
4635 1 7 . 1 1 92 92 SER CB C 92 63.063 63.063 64.407 -1.344 25125
4636 1 7 . 1 1 92 92 SER H H 92 7.825 7.825 7.850 -0.025 25125
4637 1 7 . 1 1 93 93 ALA N N 93 122.580 122.580 123.244 -0.664 25125
4638 1 7 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.230 -0.173 25125
4639 1 7 . 1 1 93 93 ALA C C 93 178.906 178.906 179.456 -0.550 25125
4640 1 7 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.601 -0.284 25125
4641 1 7 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.698 -0.401 25125
4642 1 7 . 1 1 93 93 ALA H H 93 7.861 7.861 8.388 -0.527 25125
4643 1 7 . 1 1 94 94 TYR N N 94 118.447 118.447 120.778 -2.331 25125
4644 1 7 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.268 0.224 25125
4645 1 7 . 1 1 94 94 TYR C C 94 177.393 177.393 177.556 -0.163 25125
4646 1 7 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.118 -0.867 25125
4647 1 7 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.400 0.034 25125
4648 1 7 . 1 1 94 94 TYR H H 94 8.150 8.150 7.931 0.219 25125
4649 1 7 . 1 1 95 95 GLN N N 95 119.787 119.787 115.846 3.941 25125
4650 1 7 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.065 -0.022 25125
4651 1 7 . 1 1 95 95 GLN C C 95 176.981 176.981 176.542 0.439 25125
4652 1 7 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.957 0.509 25125
4653 1 7 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.790 0.299 25125
4654 1 7 . 1 1 95 95 GLN H H 95 8.271 8.271 7.915 0.356 25125
4655 1 7 . 1 1 96 96 GLN N N 96 117.878 117.878 118.747 -0.869 25125
4656 1 7 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.269 0.076 25125
4657 1 7 . 1 1 96 96 GLN C C 96 175.854 175.854 176.057 -0.203 25125
4658 1 7 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.878 0.293 25125
4659 1 7 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.026 0.449 25125
4660 1 7 . 1 1 96 96 GLN H H 96 7.944 7.944 7.871 0.073 25125
4661 1 7 . 1 1 97 97 GLY N N 97 106.670 106.670 105.459 1.211 25125
4662 1 7 . 1 1 97 97 GLY C C 97 174.231 174.231 172.960 1.271 25125
4663 1 7 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.762 0.724 25125
4664 1 7 . 1 1 97 97 GLY H H 97 7.949 7.949 7.867 0.082 25125
4665 1 7 . 1 1 98 98 ALA N N 98 122.898 122.898 121.555 1.343 25125
4666 1 7 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.502 -0.127 25125
4667 1 7 . 1 1 98 98 ALA C C 98 175.991 175.991 175.456 0.535 25125
4668 1 7 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.958 2.210 25125
4669 1 7 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.306 -1.337 25125
4670 1 7 . 1 1 98 98 ALA H H 98 7.808 7.808 7.169 0.639 25125
4671 1 7 . 1 1 99 99 PHE N N 99 123.484 123.484 121.531 1.953 25125
4672 1 7 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.378 -0.028 25125
4673 1 7 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.787 1.669 25125
4674 1 7 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.071 -0.631 25125
4675 1 7 . 1 1 99 99 PHE H H 99 7.704 7.704 8.334 -0.630 25125
4676 1 7 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.856 0.648 25125
4677 1 7 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.334 -1.852 25125
4678 1 7 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.058 4.142 25125
4679 1 7 . 1 1 101 101 TYR N N 101 118.148 118.148 119.705 -1.557 25125
4680 1 7 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.461 0.987 25125
4681 1 7 . 1 1 101 101 TYR C C 101 173.159 173.159 174.654 -1.495 25125
4682 1 7 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.629 -0.642 25125
4683 1 7 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.991 2.907 25125
4684 1 7 . 1 1 101 101 TYR H H 101 9.546 9.546 7.449 2.097 25125
4685 1 7 . 1 1 102 102 LEU N N 102 124.100 124.100 120.240 3.860 25125
4686 1 7 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.090 -0.370 25125
4687 1 7 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.673 -1.174 25125
4688 1 7 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.403 -0.342 25125
4689 1 7 . 1 1 102 102 LEU H H 102 8.901 8.901 8.665 0.236 25125
4690 1 7 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.561 0.332 25125
4691 1 7 . 1 1 103 103 PRO C C 103 175.524 175.524 175.787 -0.263 25125
4692 1 7 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.674 -0.789 25125
4693 1 7 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.481 -0.674 25125
4694 1 7 . 1 1 104 104 LYS N N 104 118.848 118.848 121.290 -2.442 25125
4695 1 7 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.782 -0.269 25125
4696 1 7 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.183 0.035 25125
4697 1 7 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.806 0.938 25125
4698 1 7 . 1 1 104 104 LYS H H 104 8.279 8.279 8.181 0.098 25125
4699 1 7 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.267 0.032 25125
4700 1 7 . 1 1 105 105 PRO C C 105 175.001 175.001 175.901 -0.900 25125
4701 1 7 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.621 -0.227 25125
4702 1 7 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.157 1.938 25125
4703 1 7 . 1 1 106 106 PHE N N 106 116.607 116.607 114.830 1.777 25125
4704 1 7 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.784 0.386 25125
4705 1 7 . 1 1 106 106 PHE C C 106 175.221 175.221 174.346 0.875 25125
4706 1 7 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.833 -2.398 25125
4707 1 7 . 1 1 106 106 PHE CB C 106 40.400 40.400 39.931 0.469 25125
4708 1 7 . 1 1 106 106 PHE H H 106 7.457 7.457 7.374 0.083 25125
4709 1 7 . 1 1 107 107 ASP N N 107 122.214 122.214 121.996 0.218 25125
4710 1 7 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.067 -0.235 25125
4711 1 7 . 1 1 107 107 ASP C C 107 177.778 177.778 177.295 0.483 25125
4712 1 7 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.346 -0.104 25125
4713 1 7 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.266 1.331 25125
4714 1 7 . 1 1 107 107 ASP H H 107 9.022 9.022 8.641 0.381 25125
4715 1 7 . 1 1 108 108 ILE N N 108 127.706 127.706 125.049 2.657 25125
4716 1 7 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.726 0.239 25125
4717 1 7 . 1 1 108 108 ILE C C 108 176.046 176.046 177.410 -1.364 25125
4718 1 7 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.791 -1.802 25125
4719 1 7 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.139 -0.385 25125
4720 1 7 . 1 1 108 108 ILE H H 108 8.860 8.860 8.767 0.093 25125
4721 1 7 . 1 1 109 109 ASP N N 109 120.058 120.058 119.290 0.768 25125
4722 1 7 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.369 0.019 25125
4723 1 7 . 1 1 109 109 ASP C C 109 179.786 179.786 178.921 0.865 25125
4724 1 7 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.465 0.029 25125
4725 1 7 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.338 -0.284 25125
4726 1 7 . 1 1 109 109 ASP H H 109 8.079 8.079 8.567 -0.488 25125
4727 1 7 . 1 1 110 110 GLU N N 110 121.559 121.559 119.093 2.466 25125
4728 1 7 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.204 -0.136 25125
4729 1 7 . 1 1 110 110 GLU C C 110 179.043 179.043 178.538 0.505 25125
4730 1 7 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.342 0.484 25125
4731 1 7 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.014 -0.670 25125
4732 1 7 . 1 1 110 110 GLU H H 110 8.012 8.012 8.020 -0.008 25125
4733 1 7 . 1 1 111 111 ALA N N 111 122.267 122.267 123.487 -1.220 25125
4734 1 7 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.960 -0.206 25125
4735 1 7 . 1 1 111 111 ALA C C 111 178.493 178.493 179.512 -1.019 25125
4736 1 7 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.205 -0.033 25125
4737 1 7 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.123 0.259 25125
4738 1 7 . 1 1 111 111 ALA H H 111 7.897 7.897 8.084 -0.187 25125
4739 1 7 . 1 1 112 112 VAL N N 112 116.527 116.527 117.951 -1.424 25125
4740 1 7 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.504 -0.337 25125
4741 1 7 . 1 1 112 112 VAL C C 112 177.201 177.201 177.745 -0.544 25125
4742 1 7 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.465 0.680 25125
4743 1 7 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.598 -0.046 25125
4744 1 7 . 1 1 112 112 VAL H H 112 8.018 8.018 8.395 -0.377 25125
4745 1 7 . 1 1 113 113 ALA N N 113 119.895 119.895 120.626 -0.731 25125
4746 1 7 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.230 -0.092 25125
4747 1 7 . 1 1 113 113 ALA CA C 113 54.832 54.832 53.870 0.962 25125
4748 1 7 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.974 -1.102 25125
4749 1 7 . 1 1 113 113 ALA H H 113 7.673 7.673 7.477 0.196 25125
4750 1 7 . 1 1 114 114 LEU N N 114 120.650 120.650 121.041 -0.391 25125
4751 1 7 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.069 0.014 25125
4752 1 7 . 1 1 114 114 LEU C C 114 178.466 178.466 178.491 -0.025 25125
4753 1 7 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.683 0.337 25125
4754 1 7 . 1 1 114 114 LEU CB C 114 41.833 41.833 41.972 -0.139 25125
4755 1 7 . 1 1 114 114 LEU H H 114 7.840 7.840 7.731 0.109 25125
4756 1 7 . 1 1 115 115 VAL N N 115 119.480 119.480 118.423 1.057 25125
4757 1 7 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.384 -0.172 25125
4758 1 7 . 1 1 115 115 VAL C C 115 177.448 177.448 177.048 0.400 25125
4759 1 7 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.053 1.148 25125
4760 1 7 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.750 -1.078 25125
4761 1 7 . 1 1 115 115 VAL H H 115 7.824 7.824 8.067 -0.243 25125
4762 1 7 . 1 1 116 116 GLU N N 116 117.473 117.473 118.702 -1.229 25125
4763 1 7 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.948 -0.159 25125
4764 1 7 . 1 1 116 116 GLU C C 116 179.566 179.566 178.471 1.095 25125
4765 1 7 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.447 0.483 25125
4766 1 7 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.248 -0.152 25125
4767 1 7 . 1 1 116 116 GLU H H 116 8.465 8.465 7.794 0.671 25125
4768 1 7 . 1 1 117 117 ARG N N 117 120.128 120.128 119.067 1.061 25125
4769 1 7 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.094 -0.030 25125
4770 1 7 . 1 1 117 117 ARG C C 117 178.438 178.438 177.085 1.353 25125
4771 1 7 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.436 0.842 25125
4772 1 7 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.989 0.288 25125
4773 1 7 . 1 1 117 117 ARG H H 117 8.012 8.012 7.395 0.617 25125
4774 1 7 . 1 1 118 118 ALA N N 118 122.270 122.270 120.478 1.792 25125
4775 1 7 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.913 -0.457 25125
4776 1 7 . 1 1 118 118 ALA C C 118 178.741 178.741 178.436 0.305 25125
4777 1 7 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.780 0.798 25125
4778 1 7 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.024 -0.866 25125
4779 1 7 . 1 1 118 118 ALA H H 118 7.958 7.958 7.313 0.645 25125
4780 1 7 . 1 1 119 119 ILE N N 119 115.269 115.269 117.569 -2.300 25125
4781 1 7 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.094 -0.366 25125
4782 1 7 . 1 1 119 119 ILE C C 119 177.366 177.366 178.190 -0.824 25125
4783 1 7 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.092 -0.423 25125
4784 1 7 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.802 -1.004 25125
4785 1 7 . 1 1 119 119 ILE H H 119 7.753 7.753 7.510 0.243 25125
4786 1 7 . 1 1 120 120 SER N N 120 115.135 115.135 115.880 -0.745 25125
4787 1 7 . 1 1 120 120 SER HA H 120 4.275 4.275 4.053 0.222 25125
4788 1 7 . 1 1 120 120 SER C C 120 175.084 175.084 175.290 -0.206 25125
4789 1 7 . 1 1 120 120 SER CA C 120 59.816 59.816 61.303 -1.487 25125
4790 1 7 . 1 1 120 120 SER CB C 120 63.380 63.380 62.978 0.402 25125
4791 1 7 . 1 1 120 120 SER H H 120 7.816 7.816 8.260 -0.444 25125
4792 1 7 . 1 1 121 121 HIS N N 121 119.908 119.908 118.217 1.691 25125
4793 1 7 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.147 0.275 25125
4794 1 7 . 1 1 121 121 HIS C C 121 175.029 175.029 176.321 -1.292 25125
4795 1 7 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.613 -1.377 25125
4796 1 7 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.612 -0.184 25125
4797 1 7 . 1 1 121 121 HIS H H 121 7.910 7.910 7.849 0.061 25125
4798 1 7 . 1 1 122 122 TYR N N 122 118.880 118.880 117.003 1.877 25125
4799 1 7 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.562 -0.136 25125
4800 1 7 . 1 1 122 122 TYR C C 122 175.276 175.276 176.701 -1.425 25125
4801 1 7 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.213 -0.764 25125
4802 1 7 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.311 -0.707 25125
4803 1 7 . 1 1 122 122 TYR H H 122 7.766 7.766 7.660 0.106 25125
4804 1 7 . 1 1 123 123 GLN N N 123 121.479 121.479 119.132 2.347 25125
4805 1 7 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.387 -0.117 25125
4806 1 7 . 1 1 123 123 GLN C C 123 174.534 174.534 174.993 -0.459 25125
4807 1 7 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.937 -0.425 25125
4808 1 7 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.746 1.022 25125
4809 1 7 . 1 1 123 123 GLN H H 123 7.878 7.878 7.682 0.196 25125
4810 1 8 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.560 -0.127 25125
4811 1 8 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.046 -0.482 25125
4812 1 8 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.039 2.561 25125
4813 1 8 . 1 1 3 3 ARG N N 3 121.252 121.252 120.607 0.645 25125
4814 1 8 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.242 0.123 25125
4815 1 8 . 1 1 3 3 ARG C C 3 175.634 175.634 175.764 -0.130 25125
4816 1 8 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.621 -0.630 25125
4817 1 8 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.414 0.883 25125
4818 1 8 . 1 1 3 3 ARG H H 3 8.429 8.429 7.930 0.499 25125
4819 1 8 . 1 1 4 4 GLY N N 4 107.663 107.663 108.566 -0.903 25125
4820 1 8 . 1 1 4 4 GLY C C 4 171.041 171.041 172.982 -1.941 25125
4821 1 8 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.383 0.933 25125
4822 1 8 . 1 1 4 4 GLY H H 4 7.963 7.963 7.721 0.242 25125
4823 1 8 . 1 1 5 5 ILE N N 5 122.603 122.603 125.746 -3.143 25125
4824 1 8 . 1 1 5 5 ILE HA H 5 4.699 4.699 3.987 0.712 25125
4825 1 8 . 1 1 5 5 ILE C C 5 175.359 175.359 175.013 0.346 25125
4826 1 8 . 1 1 5 5 ILE CA C 5 60.610 60.610 62.035 -1.425 25125
4827 1 8 . 1 1 5 5 ILE CB C 5 39.576 39.576 38.865 0.711 25125
4828 1 8 . 1 1 5 5 ILE H H 5 9.610 9.610 8.327 1.283 25125
4829 1 8 . 1 1 6 6 VAL N N 6 127.905 127.905 126.892 1.013 25125
4830 1 8 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.971 -0.159 25125
4831 1 8 . 1 1 6 6 VAL C C 6 174.204 174.204 175.435 -1.231 25125
4832 1 8 . 1 1 6 6 VAL CA C 6 59.559 59.559 59.636 -0.078 25125
4833 1 8 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.140 1.386 25125
4834 1 8 . 1 1 6 6 VAL H H 6 9.090 9.090 7.937 1.153 25125
4835 1 8 . 1 1 7 7 TRP N N 7 127.467 127.467 126.945 0.522 25125
4836 1 8 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.334 1.120 25125
4837 1 8 . 1 1 7 7 TRP C C 7 175.056 175.056 175.367 -0.311 25125
4838 1 8 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.422 -1.544 25125
4839 1 8 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.915 0.219 25125
4840 1 8 . 1 1 7 7 TRP H H 7 8.497 8.497 8.091 0.406 25125
4841 1 8 . 1 1 8 8 VAL N N 8 122.068 122.068 117.734 4.334 25125
4842 1 8 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.665 0.421 25125
4843 1 8 . 1 1 8 8 VAL C C 8 173.874 173.874 174.029 -0.155 25125
4844 1 8 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.320 -0.834 25125
4845 1 8 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.381 -0.666 25125
4846 1 8 . 1 1 8 8 VAL H H 8 8.583 8.583 9.434 -0.851 25125
4847 1 8 . 1 1 9 9 VAL N N 9 127.733 127.733 124.702 3.031 25125
4848 1 8 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.639 0.322 25125
4849 1 8 . 1 1 9 9 VAL C C 9 173.131 173.131 173.965 -0.834 25125
4850 1 8 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.576 -0.901 25125
4851 1 8 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.069 0.841 25125
4852 1 8 . 1 1 9 9 VAL H H 9 9.107 9.107 8.786 0.321 25125
4853 1 8 . 1 1 10 10 ASP N N 10 124.306 124.306 124.499 -0.193 25125
4854 1 8 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.889 -0.320 25125
4855 1 8 . 1 1 10 10 ASP C C 10 175.029 175.029 174.928 0.101 25125
4856 1 8 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.699 2.048 25125
4857 1 8 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.827 0.282 25125
4858 1 8 . 1 1 10 10 ASP H H 10 7.775 7.775 7.824 -0.049 25125
4859 1 8 . 1 1 11 11 ASP N N 11 126.714 126.714 117.903 8.811 25125
4860 1 8 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.956 -0.421 25125
4861 1 8 . 1 1 11 11 ASP C C 11 175.689 175.689 174.875 0.814 25125
4862 1 8 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.218 2.500 25125
4863 1 8 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.643 0.431 25125
4864 1 8 . 1 1 11 11 ASP H H 11 9.033 9.033 8.633 0.400 25125
4865 1 8 . 1 1 12 12 ASP N N 12 121.877 121.877 119.199 2.678 25125
4866 1 8 . 1 1 12 12 ASP HA H 12 4.646 4.646 5.025 -0.379 25125
4867 1 8 . 1 1 12 12 ASP C C 12 177.036 177.036 176.409 0.627 25125
4868 1 8 . 1 1 12 12 ASP CA C 12 53.303 53.303 52.853 0.450 25125
4869 1 8 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.232 -3.068 25125
4870 1 8 . 1 1 12 12 ASP H H 12 9.570 9.570 7.922 1.648 25125
4871 1 8 . 1 1 13 13 SER N N 13 123.799 123.799 117.696 6.103 25125
4872 1 8 . 1 1 13 13 SER HA H 13 3.761 3.761 4.242 -0.481 25125
4873 1 8 . 1 1 13 13 SER C C 13 176.156 176.156 176.036 0.120 25125
4874 1 8 . 1 1 13 13 SER CA C 13 61.186 61.186 61.399 -0.213 25125
4875 1 8 . 1 1 13 13 SER CB C 13 62.749 62.749 63.336 -0.587 25125
4876 1 8 . 1 1 13 13 SER H H 13 8.850 8.850 8.746 0.104 25125
4877 1 8 . 1 1 14 14 SER N N 14 119.123 119.123 117.837 1.286 25125
4878 1 8 . 1 1 14 14 SER HA H 14 4.361 4.361 4.322 0.039 25125
4879 1 8 . 1 1 14 14 SER C C 14 176.404 176.404 176.800 -0.396 25125
4880 1 8 . 1 1 14 14 SER CA C 14 61.730 61.730 61.911 -0.181 25125
4881 1 8 . 1 1 14 14 SER CB C 14 62.548 62.548 62.411 0.137 25125
4882 1 8 . 1 1 14 14 SER H H 14 8.531 8.531 8.534 -0.003 25125
4883 1 8 . 1 1 15 15 ILE N N 15 123.637 123.637 120.465 3.172 25125
4884 1 8 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.789 0.156 25125
4885 1 8 . 1 1 15 15 ILE C C 15 177.861 177.861 178.138 -0.277 25125
4886 1 8 . 1 1 15 15 ILE CA C 15 61.200 61.200 64.746 -3.546 25125
4887 1 8 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.684 -0.798 25125
4888 1 8 . 1 1 15 15 ILE H H 15 7.206 7.206 8.467 -1.261 25125
4889 1 8 . 1 1 16 16 ARG N N 16 116.694 116.694 118.752 -2.058 25125
4890 1 8 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.250 -0.527 25125
4891 1 8 . 1 1 16 16 ARG C C 16 177.448 177.448 178.431 -0.983 25125
4892 1 8 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.627 2.946 25125
4893 1 8 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.580 0.867 25125
4894 1 8 . 1 1 16 16 ARG H H 16 7.562 7.562 7.843 -0.281 25125
4895 1 8 . 1 1 17 17 TRP N N 17 116.848 116.848 122.939 -6.091 25125
4896 1 8 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.350 0.121 25125
4897 1 8 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.191 -0.751 25125
4898 1 8 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.523 -0.232 25125
4899 1 8 . 1 1 17 17 TRP H H 17 8.005 8.005 7.979 0.026 25125
4900 1 8 . 1 1 18 18 VAL N N 18 116.964 116.964 119.822 -2.858 25125
4901 1 8 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.983 0.692 25125
4902 1 8 . 1 1 18 18 VAL C C 18 179.181 179.181 177.624 1.557 25125
4903 1 8 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.592 0.116 25125
4904 1 8 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.469 0.168 25125
4905 1 8 . 1 1 18 18 VAL H H 18 8.110 8.110 8.610 -0.500 25125
4906 1 8 . 1 1 19 19 LEU N N 19 120.186 120.186 117.965 2.221 25125
4907 1 8 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.088 -0.013 25125
4908 1 8 . 1 1 19 19 LEU C C 19 177.778 177.778 179.040 -1.262 25125
4909 1 8 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.665 0.157 25125
4910 1 8 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.456 0.325 25125
4911 1 8 . 1 1 19 19 LEU H H 19 8.073 8.073 7.481 0.592 25125
4912 1 8 . 1 1 20 20 GLU N N 20 120.193 120.193 119.580 0.613 25125
4913 1 8 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.174 -0.233 25125
4914 1 8 . 1 1 20 20 GLU C C 20 178.603 178.603 178.957 -0.354 25125
4915 1 8 . 1 1 20 20 GLU CA C 20 60.610 60.610 58.562 2.048 25125
4916 1 8 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.542 -0.454 25125
4917 1 8 . 1 1 20 20 GLU H H 20 8.387 8.387 7.999 0.388 25125
4918 1 8 . 1 1 21 21 ARG N N 21 116.076 116.076 118.532 -2.456 25125
4919 1 8 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.876 0.017 25125
4920 1 8 . 1 1 21 21 ARG C C 21 179.676 179.676 178.577 1.099 25125
4921 1 8 . 1 1 21 21 ARG CA C 21 58.449 58.449 57.638 0.811 25125
4922 1 8 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.678 1.175 25125
4923 1 8 . 1 1 21 21 ARG H H 21 7.602 7.602 8.047 -0.445 25125
4924 1 8 . 1 1 22 22 ALA N N 22 122.405 122.405 122.805 -0.400 25125
4925 1 8 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.084 0.013 25125
4926 1 8 . 1 1 22 22 ALA C C 22 180.501 180.501 179.153 1.348 25125
4927 1 8 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.743 -0.165 25125
4928 1 8 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.144 1.088 25125
4929 1 8 . 1 1 22 22 ALA H H 22 7.992 7.992 7.686 0.306 25125
4930 1 8 . 1 1 23 23 LEU N N 23 118.026 118.026 118.311 -0.285 25125
4931 1 8 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.271 -0.270 25125
4932 1 8 . 1 1 23 23 LEU C C 23 178.878 178.878 179.218 -0.340 25125
4933 1 8 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.157 1.564 25125
4934 1 8 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.153 -2.498 25125
4935 1 8 . 1 1 23 23 LEU H H 23 8.825 8.825 7.640 1.185 25125
4936 1 8 . 1 1 24 24 ALA N N 24 122.159 122.159 122.383 -0.224 25125
4937 1 8 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.990 0.643 25125
4938 1 8 . 1 1 24 24 ALA C C 24 183.141 183.141 179.315 3.826 25125
4939 1 8 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.776 -0.029 25125
4940 1 8 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.341 -0.639 25125
4941 1 8 . 1 1 24 24 ALA H H 24 8.125 8.125 8.466 -0.341 25125
4942 1 8 . 1 1 25 25 GLY N N 25 106.891 106.891 104.291 2.600 25125
4943 1 8 . 1 1 25 25 GLY C C 25 174.286 174.286 174.112 0.174 25125
4944 1 8 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.038 1.383 25125
4945 1 8 . 1 1 25 25 GLY H H 25 7.870 7.870 7.969 -0.099 25125
4946 1 8 . 1 1 26 26 ALA N N 26 121.819 121.819 123.508 -1.689 25125
4947 1 8 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.720 -0.221 25125
4948 1 8 . 1 1 26 26 ALA C C 26 176.953 176.953 177.298 -0.345 25125
4949 1 8 . 1 1 26 26 ALA CA C 26 51.519 51.519 52.377 -0.858 25125
4950 1 8 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.285 -1.563 25125
4951 1 8 . 1 1 26 26 ALA H H 26 7.285 7.285 7.745 -0.460 25125
4952 1 8 . 1 1 27 27 GLY N N 27 106.197 106.197 106.276 -0.079 25125
4953 1 8 . 1 1 27 27 GLY C C 27 173.956 173.956 172.523 1.433 25125
4954 1 8 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.468 -0.152 25125
4955 1 8 . 1 1 27 27 GLY H H 27 7.824 7.824 7.965 -0.141 25125
4956 1 8 . 1 1 28 28 LEU N N 28 120.291 120.291 118.962 1.329 25125
4957 1 8 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.766 -0.192 25125
4958 1 8 . 1 1 28 28 LEU C C 28 175.881 175.881 176.275 -0.394 25125
4959 1 8 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.429 0.214 25125
4960 1 8 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.668 -2.183 25125
4961 1 8 . 1 1 28 28 LEU H H 28 7.678 7.678 7.431 0.247 25125
4962 1 8 . 1 1 29 29 THR N N 29 118.040 118.040 116.310 1.730 25125
4963 1 8 . 1 1 29 29 THR HA H 29 4.335 4.335 4.178 0.157 25125
4964 1 8 . 1 1 29 29 THR C C 29 173.186 173.186 173.750 -0.564 25125
4965 1 8 . 1 1 29 29 THR CA C 29 62.479 62.479 64.126 -1.647 25125
4966 1 8 . 1 1 29 29 THR CB C 29 69.465 69.465 69.634 -0.169 25125
4967 1 8 . 1 1 29 29 THR H H 29 8.527 8.527 8.505 0.022 25125
4968 1 8 . 1 1 30 30 CYS N N 30 128.387 128.387 121.875 6.512 25125
4969 1 8 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.566 0.377 25125
4970 1 8 . 1 1 30 30 CYS C C 30 173.846 173.846 174.325 -0.479 25125
4971 1 8 . 1 1 30 30 CYS CA C 30 56.362 56.362 57.991 -1.629 25125
4972 1 8 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.196 -1.716 25125
4973 1 8 . 1 1 30 30 CYS H H 30 8.968 8.968 8.541 0.427 25125
4974 1 8 . 1 1 31 31 THR N N 31 126.481 126.481 123.674 2.807 25125
4975 1 8 . 1 1 31 31 THR HA H 31 4.433 4.433 4.407 0.026 25125
4976 1 8 . 1 1 31 31 THR C C 31 172.609 172.609 172.706 -0.097 25125
4977 1 8 . 1 1 31 31 THR CA C 31 61.951 61.951 61.274 0.677 25125
4978 1 8 . 1 1 31 31 THR CB C 31 70.567 70.567 69.876 0.691 25125
4979 1 8 . 1 1 31 31 THR H H 31 8.614 8.614 8.608 0.006 25125
4980 1 8 . 1 1 32 32 THR N N 32 116.418 116.418 118.519 -2.101 25125
4981 1 8 . 1 1 32 32 THR HA H 32 5.330 5.330 4.854 0.476 25125
4982 1 8 . 1 1 32 32 THR C C 32 172.306 172.306 173.260 -0.954 25125
4983 1 8 . 1 1 32 32 THR CA C 32 59.173 59.173 60.840 -1.667 25125
4984 1 8 . 1 1 32 32 THR CB C 32 70.917 70.917 69.844 1.073 25125
4985 1 8 . 1 1 32 32 THR H H 32 8.299 8.299 8.272 0.027 25125
4986 1 8 . 1 1 33 33 PHE N N 33 118.067 118.067 124.002 -5.935 25125
4987 1 8 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.954 -0.311 25125
4988 1 8 . 1 1 33 33 PHE C C 33 174.341 174.341 174.779 -0.438 25125
4989 1 8 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.564 -0.032 25125
4990 1 8 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.485 0.824 25125
4991 1 8 . 1 1 33 33 PHE H H 33 8.890 8.890 8.802 0.088 25125
4992 1 8 . 1 1 34 34 GLU N N 34 118.499 118.499 118.251 0.248 25125
4993 1 8 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.864 -0.510 25125
4994 1 8 . 1 1 34 34 GLU C C 34 175.414 175.414 174.903 0.511 25125
4995 1 8 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.957 0.735 25125
4996 1 8 . 1 1 34 34 GLU CB C 34 31.467 31.467 29.598 1.869 25125
4997 1 8 . 1 1 34 34 GLU H H 34 9.023 9.023 9.141 -0.118 25125
4998 1 8 . 1 1 35 35 ASN N N 35 109.907 109.907 119.042 -9.135 25125
4999 1 8 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.677 0.104 25125
5000 1 8 . 1 1 35 35 ASN C C 35 175.139 175.139 174.549 0.590 25125
5001 1 8 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.717 -1.571 25125
5002 1 8 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.004 1.319 25125
5003 1 8 . 1 1 35 35 ASN H H 35 7.401 7.401 8.529 -1.128 25125
5004 1 8 . 1 1 36 36 GLY N N 36 106.739 106.739 106.333 0.406 25125
5005 1 8 . 1 1 36 36 GLY C C 36 174.616 174.616 175.415 -0.799 25125
5006 1 8 . 1 1 36 36 GLY CA C 36 47.016 47.016 45.492 1.524 25125
5007 1 8 . 1 1 36 36 GLY H H 36 8.877 8.877 8.068 0.809 25125
5008 1 8 . 1 1 37 37 ASN N N 37 120.462 120.462 122.575 -2.113 25125
5009 1 8 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.363 -0.001 25125
5010 1 8 . 1 1 37 37 ASN C C 37 178.686 178.686 176.571 2.115 25125
5011 1 8 . 1 1 37 37 ASN CA C 37 56.532 56.532 56.074 0.458 25125
5012 1 8 . 1 1 37 37 ASN CB C 37 37.584 37.584 37.727 -0.143 25125
5013 1 8 . 1 1 37 37 ASN H H 37 8.366 8.366 8.517 -0.151 25125
5014 1 8 . 1 1 38 38 GLU N N 38 119.360 119.360 118.855 0.505 25125
5015 1 8 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.160 -0.090 25125
5016 1 8 . 1 1 38 38 GLU C C 38 179.263 179.263 177.486 1.777 25125
5017 1 8 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.204 0.428 25125
5018 1 8 . 1 1 38 38 GLU CB C 38 30.532 30.532 28.675 1.857 25125
5019 1 8 . 1 1 38 38 GLU H H 38 7.990 7.990 8.361 -0.371 25125
5020 1 8 . 1 1 39 39 VAL N N 39 119.259 119.259 119.113 0.146 25125
5021 1 8 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.182 -0.414 25125
5022 1 8 . 1 1 39 39 VAL C C 39 176.431 176.431 177.248 -0.817 25125
5023 1 8 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.311 -0.368 25125
5024 1 8 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.815 -0.740 25125
5025 1 8 . 1 1 39 39 VAL H H 39 6.883 6.883 7.623 -0.740 25125
5026 1 8 . 1 1 40 40 LEU N N 40 119.627 119.627 121.789 -2.162 25125
5027 1 8 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.009 -0.082 25125
5028 1 8 . 1 1 40 40 LEU C C 40 179.538 179.538 178.162 1.376 25125
5029 1 8 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.050 -0.111 25125
5030 1 8 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.439 -0.371 25125
5031 1 8 . 1 1 40 40 LEU H H 40 7.692 7.692 7.539 0.153 25125
5032 1 8 . 1 1 41 41 ALA N N 41 120.051 120.051 120.100 -0.049 25125
5033 1 8 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.148 -0.008 25125
5034 1 8 . 1 1 41 41 ALA C C 41 180.528 180.528 179.684 0.844 25125
5035 1 8 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.544 0.106 25125
5036 1 8 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.932 -0.066 25125
5037 1 8 . 1 1 41 41 ALA H H 41 7.553 7.553 7.573 -0.020 25125
5038 1 8 . 1 1 42 42 ALA N N 42 122.731 122.731 122.476 0.255 25125
5039 1 8 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.138 0.061 25125
5040 1 8 . 1 1 42 42 ALA C C 42 180.198 180.198 180.297 -0.099 25125
5041 1 8 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.546 0.486 25125
5042 1 8 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.226 1.173 25125
5043 1 8 . 1 1 42 42 ALA H H 42 7.604 7.604 7.215 0.389 25125
5044 1 8 . 1 1 43 43 LEU N N 43 119.131 119.131 118.475 0.656 25125
5045 1 8 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.973 1.233 25125
5046 1 8 . 1 1 43 43 LEU C C 43 177.421 177.421 178.500 -1.079 25125
5047 1 8 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.571 -2.026 25125
5048 1 8 . 1 1 43 43 LEU CB C 43 42.604 42.604 40.904 1.700 25125
5049 1 8 . 1 1 43 43 LEU H H 43 8.288 8.288 8.013 0.275 25125
5050 1 8 . 1 1 44 44 ALA N N 44 119.065 119.065 119.419 -0.354 25125
5051 1 8 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.186 0.043 25125
5052 1 8 . 1 1 44 44 ALA C C 44 178.686 178.686 178.617 0.069 25125
5053 1 8 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.882 0.356 25125
5054 1 8 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.323 0.194 25125
5055 1 8 . 1 1 44 44 ALA H H 44 7.302 7.302 7.819 -0.517 25125
5056 1 8 . 1 1 45 45 SER N N 45 108.656 108.656 115.072 -6.416 25125
5057 1 8 . 1 1 45 45 SER HA H 45 4.742 4.742 4.324 0.418 25125
5058 1 8 . 1 1 45 45 SER C C 45 173.296 173.296 176.523 -3.227 25125
5059 1 8 . 1 1 45 45 SER CA C 45 58.656 58.656 60.780 -2.124 25125
5060 1 8 . 1 1 45 45 SER CB C 45 65.407 65.407 63.813 1.594 25125
5061 1 8 . 1 1 45 45 SER H H 45 7.728 7.728 8.230 -0.502 25125
5062 1 8 . 1 1 46 46 LYS N N 46 123.016 123.016 116.965 6.051 25125
5063 1 8 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.605 -0.019 25125
5064 1 8 . 1 1 46 46 LYS C C 46 172.719 172.719 175.620 -2.901 25125
5065 1 8 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.511 -0.999 25125
5066 1 8 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.258 1.966 25125
5067 1 8 . 1 1 46 46 LYS H H 46 8.101 8.101 8.013 0.088 25125
5068 1 8 . 1 1 47 47 THR N N 47 111.780 111.780 114.691 -2.911 25125
5069 1 8 . 1 1 47 47 THR HA H 47 4.282 4.282 3.897 0.385 25125
5070 1 8 . 1 1 47 47 THR CA C 47 57.806 57.806 62.133 -4.327 25125
5071 1 8 . 1 1 47 47 THR CB C 47 70.594 70.594 67.986 2.608 25125
5072 1 8 . 1 1 47 47 THR H H 47 7.677 7.677 7.764 -0.087 25125
5073 1 8 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.923 -0.018 25125
5074 1 8 . 1 1 48 48 PRO C C 48 172.966 172.966 175.621 -2.655 25125
5075 1 8 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.029 -1.164 25125
5076 1 8 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.765 -1.488 25125
5077 1 8 . 1 1 49 49 ASP N N 49 115.035 115.035 118.555 -3.520 25125
5078 1 8 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.569 -0.125 25125
5079 1 8 . 1 1 49 49 ASP C C 49 175.634 175.634 175.013 0.621 25125
5080 1 8 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.386 1.061 25125
5081 1 8 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.914 -0.402 25125
5082 1 8 . 1 1 49 49 ASP H H 49 8.502 8.502 8.309 0.193 25125
5083 1 8 . 1 1 50 50 VAL N N 50 112.082 112.082 115.943 -3.861 25125
5084 1 8 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.410 -0.130 25125
5085 1 8 . 1 1 50 50 VAL C C 50 171.454 171.454 172.985 -1.531 25125
5086 1 8 . 1 1 50 50 VAL CA C 50 60.562 60.562 62.091 -1.529 25125
5087 1 8 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.017 0.619 25125
5088 1 8 . 1 1 50 50 VAL H H 50 7.173 7.173 7.077 0.096 25125
5089 1 8 . 1 1 51 51 LEU N N 51 128.247 128.247 127.389 0.858 25125
5090 1 8 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.105 0.214 25125
5091 1 8 . 1 1 51 51 LEU C C 51 173.104 173.104 175.329 -2.225 25125
5092 1 8 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.863 -0.645 25125
5093 1 8 . 1 1 51 51 LEU CB C 51 46.506 46.506 45.248 1.258 25125
5094 1 8 . 1 1 51 51 LEU H H 51 8.059 8.059 8.141 -0.082 25125
5095 1 8 . 1 1 52 52 LEU N N 52 128.407 128.407 120.861 7.546 25125
5096 1 8 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.945 0.556 25125
5097 1 8 . 1 1 52 52 LEU C C 52 175.414 175.414 175.965 -0.551 25125
5098 1 8 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.335 -0.012 25125
5099 1 8 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.234 1.287 25125
5100 1 8 . 1 1 52 52 LEU H H 52 9.242 9.242 8.472 0.770 25125
5101 1 8 . 1 1 53 53 SER N N 53 114.946 114.946 117.119 -2.173 25125
5102 1 8 . 1 1 53 53 SER HA H 53 5.595 5.595 4.406 1.189 25125
5103 1 8 . 1 1 53 53 SER C C 53 174.644 174.644 173.809 0.835 25125
5104 1 8 . 1 1 53 53 SER CA C 53 55.954 55.954 58.704 -2.750 25125
5105 1 8 . 1 1 53 53 SER CB C 53 66.473 66.473 64.772 1.700 25125
5106 1 8 . 1 1 53 53 SER H H 53 8.695 8.695 7.993 0.702 25125
5107 1 8 . 1 1 54 54 ASP N N 54 128.341 128.341 124.159 4.182 25125
5108 1 8 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.866 0.459 25125
5109 1 8 . 1 1 54 54 ASP C C 54 176.816 176.816 175.903 0.913 25125
5110 1 8 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.374 1.119 25125
5111 1 8 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.293 -0.965 25125
5112 1 8 . 1 1 54 54 ASP H H 54 7.886 7.886 8.215 -0.329 25125
5113 1 8 . 1 1 55 55 ILE N N 55 121.229 121.229 119.743 1.486 25125
5114 1 8 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.802 0.383 25125
5115 1 8 . 1 1 55 55 ILE C C 55 175.084 175.084 173.874 1.210 25125
5116 1 8 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.172 -0.630 25125
5117 1 8 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.786 3.243 25125
5118 1 8 . 1 1 55 55 ILE H H 55 8.722 8.722 7.648 1.074 25125
5119 1 8 . 1 1 56 56 ARG N N 56 124.188 124.188 120.573 3.615 25125
5120 1 8 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.438 0.067 25125
5121 1 8 . 1 1 56 56 ARG C C 56 175.661 175.661 174.492 1.169 25125
5122 1 8 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.811 -0.370 25125
5123 1 8 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.238 -0.875 25125
5124 1 8 . 1 1 56 56 ARG H H 56 8.499 8.499 8.453 0.046 25125
5125 1 8 . 1 1 57 57 MET N N 57 122.581 122.581 118.018 4.563 25125
5126 1 8 . 1 1 57 57 MET HA H 57 4.821 4.821 5.264 -0.443 25125
5127 1 8 . 1 1 57 57 MET CA C 57 53.132 53.132 52.606 0.526 25125
5128 1 8 . 1 1 57 57 MET CB C 57 33.445 33.445 33.949 -0.504 25125
5129 1 8 . 1 1 57 57 MET H H 57 7.956 7.956 7.818 0.138 25125
5130 1 8 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.478 -0.085 25125
5131 1 8 . 1 1 58 58 PRO C C 58 177.806 177.806 178.220 -0.414 25125
5132 1 8 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.157 0.342 25125
5133 1 8 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.373 -0.566 25125
5134 1 8 . 1 1 59 59 GLY N N 59 111.082 111.082 107.465 3.617 25125
5135 1 8 . 1 1 59 59 GLY C C 59 173.626 173.626 174.535 -0.909 25125
5136 1 8 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.627 -0.037 25125
5137 1 8 . 1 1 59 59 GLY H H 59 8.653 8.653 8.464 0.189 25125
5138 1 8 . 1 1 60 60 MET N N 60 120.052 120.052 122.675 -2.623 25125
5139 1 8 . 1 1 60 60 MET HA H 60 4.525 4.525 4.485 0.040 25125
5140 1 8 . 1 1 60 60 MET C C 60 173.956 173.956 175.141 -1.185 25125
5141 1 8 . 1 1 60 60 MET CA C 60 55.047 55.047 55.547 -0.500 25125
5142 1 8 . 1 1 60 60 MET CB C 60 34.506 34.506 33.845 0.661 25125
5143 1 8 . 1 1 60 60 MET H H 60 7.968 7.968 8.039 -0.071 25125
5144 1 8 . 1 1 61 61 ASP N N 61 121.306 121.306 120.049 1.257 25125
5145 1 8 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.724 -0.020 25125
5146 1 8 . 1 1 61 61 ASP C C 61 176.761 176.761 177.269 -0.508 25125
5147 1 8 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.622 0.107 25125
5148 1 8 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.850 0.219 25125
5149 1 8 . 1 1 61 61 ASP H H 61 8.379 8.379 8.360 0.019 25125
5150 1 8 . 1 1 62 62 GLY N N 62 110.874 110.874 108.969 1.905 25125
5151 1 8 . 1 1 62 62 GLY C C 62 175.194 175.194 175.873 -0.679 25125
5152 1 8 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.840 0.261 25125
5153 1 8 . 1 1 62 62 GLY H H 62 8.707 8.707 8.380 0.327 25125
5154 1 8 . 1 1 63 63 LEU N N 63 121.299 121.299 120.786 0.513 25125
5155 1 8 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.594 -0.417 25125
5156 1 8 . 1 1 63 63 LEU C C 63 178.356 178.356 178.171 0.185 25125
5157 1 8 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.723 1.155 25125
5158 1 8 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.525 0.713 25125
5159 1 8 . 1 1 63 63 LEU H H 63 8.045 8.045 7.988 0.057 25125
5160 1 8 . 1 1 64 64 ALA N N 64 122.741 122.741 123.054 -0.313 25125
5161 1 8 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.089 -0.027 25125
5162 1 8 . 1 1 64 64 ALA C C 64 180.556 180.556 179.501 1.055 25125
5163 1 8 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.178 -0.563 25125
5164 1 8 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.784 0.216 25125
5165 1 8 . 1 1 64 64 ALA H H 64 7.859 7.859 8.213 -0.354 25125
5166 1 8 . 1 1 65 65 LEU N N 65 120.287 120.287 114.404 5.883 25125
5167 1 8 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.303 -0.241 25125
5168 1 8 . 1 1 65 65 LEU C C 65 178.191 178.191 178.306 -0.115 25125
5169 1 8 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.653 1.366 25125
5170 1 8 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.966 -0.728 25125
5171 1 8 . 1 1 65 65 LEU H H 65 8.022 8.022 7.786 0.236 25125
5172 1 8 . 1 1 66 66 LEU N N 66 118.738 118.738 120.397 -1.659 25125
5173 1 8 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.216 -0.358 25125
5174 1 8 . 1 1 66 66 LEU C C 66 178.631 178.631 178.643 -0.012 25125
5175 1 8 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.294 2.052 25125
5176 1 8 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.777 0.461 25125
5177 1 8 . 1 1 66 66 LEU H H 66 8.101 8.101 7.738 0.363 25125
5178 1 8 . 1 1 67 67 LYS N N 67 117.842 117.842 117.592 0.250 25125
5179 1 8 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.146 -0.164 25125
5180 1 8 . 1 1 67 67 LYS C C 67 179.263 179.263 178.293 0.970 25125
5181 1 8 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.777 1.020 25125
5182 1 8 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.234 -0.027 25125
5183 1 8 . 1 1 67 67 LYS H H 67 8.010 8.010 8.145 -0.135 25125
5184 1 8 . 1 1 68 68 GLN N N 68 118.875 118.875 117.938 0.937 25125
5185 1 8 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.246 -0.190 25125
5186 1 8 . 1 1 68 68 GLN C C 68 179.071 179.071 177.506 1.565 25125
5187 1 8 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.058 1.015 25125
5188 1 8 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.893 -0.282 25125
5189 1 8 . 1 1 68 68 GLN H H 68 7.809 7.809 7.557 0.252 25125
5190 1 8 . 1 1 69 69 ILE N N 69 120.377 120.377 121.309 -0.932 25125
5191 1 8 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.928 -0.398 25125
5192 1 8 . 1 1 69 69 ILE C C 69 177.421 177.421 177.713 -0.292 25125
5193 1 8 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.694 1.184 25125
5194 1 8 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.898 -0.314 25125
5195 1 8 . 1 1 69 69 ILE H H 69 8.481 8.481 7.501 0.980 25125
5196 1 8 . 1 1 70 70 LYS N N 70 117.873 117.873 116.858 1.015 25125
5197 1 8 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.180 -0.220 25125
5198 1 8 . 1 1 70 70 LYS C C 70 178.053 178.053 177.882 0.171 25125
5199 1 8 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.126 -1.038 25125
5200 1 8 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.803 -0.591 25125
5201 1 8 . 1 1 70 70 LYS H H 70 8.220 8.220 8.033 0.187 25125
5202 1 8 . 1 1 71 71 GLN N N 71 116.315 116.315 117.504 -1.189 25125
5203 1 8 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.256 -0.264 25125
5204 1 8 . 1 1 71 71 GLN C C 71 177.366 177.366 177.932 -0.566 25125
5205 1 8 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.635 0.555 25125
5206 1 8 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.331 -0.666 25125
5207 1 8 . 1 1 71 71 GLN H H 71 7.601 7.601 7.512 0.089 25125
5208 1 8 . 1 1 72 72 ARG N N 72 116.530 116.530 117.400 -0.870 25125
5209 1 8 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.113 -0.083 25125
5210 1 8 . 1 1 72 72 ARG C C 72 175.826 175.826 175.676 0.150 25125
5211 1 8 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.015 0.207 25125
5212 1 8 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.791 0.011 25125
5213 1 8 . 1 1 72 72 ARG H H 72 7.301 7.301 8.175 -0.874 25125
5214 1 8 . 1 1 73 73 HIS N N 73 116.755 116.755 116.787 -0.032 25125
5215 1 8 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.827 0.133 25125
5216 1 8 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.184 0.034 25125
5217 1 8 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.340 0.222 25125
5218 1 8 . 1 1 73 73 HIS H H 73 8.331 8.331 7.794 0.537 25125
5219 1 8 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.527 -0.028 25125
5220 1 8 . 1 1 74 74 PRO C C 74 178.466 178.466 177.503 0.963 25125
5221 1 8 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.648 0.465 25125
5222 1 8 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.278 -0.183 25125
5223 1 8 . 1 1 75 75 MET N N 75 114.814 114.814 116.410 -1.596 25125
5224 1 8 . 1 1 75 75 MET HA H 75 4.567 4.567 4.399 0.168 25125
5225 1 8 . 1 1 75 75 MET C C 75 176.046 176.046 175.723 0.323 25125
5226 1 8 . 1 1 75 75 MET CA C 75 54.266 54.266 55.868 -1.602 25125
5227 1 8 . 1 1 75 75 MET CB C 75 31.288 31.288 32.566 -1.278 25125
5228 1 8 . 1 1 75 75 MET H H 75 8.623 8.623 7.827 0.796 25125
5229 1 8 . 1 1 76 76 LEU N N 76 125.533 125.533 121.846 3.687 25125
5230 1 8 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.637 -0.332 25125
5231 1 8 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.442 1.670 25125
5232 1 8 . 1 1 76 76 LEU CB C 76 43.685 43.685 42.338 1.347 25125
5233 1 8 . 1 1 76 76 LEU H H 76 7.337 7.337 7.108 0.229 25125
5234 1 8 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.554 -0.108 25125
5235 1 8 . 1 1 77 77 PRO C C 77 174.974 174.974 175.473 -0.499 25125
5236 1 8 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.370 0.457 25125
5237 1 8 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.416 -0.694 25125
5238 1 8 . 1 1 78 78 VAL N N 78 123.779 123.779 120.088 3.691 25125
5239 1 8 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.566 0.458 25125
5240 1 8 . 1 1 78 78 VAL C C 78 175.441 175.441 175.252 0.189 25125
5241 1 8 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.523 -0.330 25125
5242 1 8 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.054 -1.760 25125
5243 1 8 . 1 1 78 78 VAL H H 78 8.317 8.317 8.061 0.256 25125
5244 1 8 . 1 1 79 79 ILE N N 79 128.334 128.334 120.840 7.494 25125
5245 1 8 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.792 -0.311 25125
5246 1 8 . 1 1 79 79 ILE C C 79 174.479 174.479 174.482 -0.003 25125
5247 1 8 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.903 -0.381 25125
5248 1 8 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.255 -2.292 25125
5249 1 8 . 1 1 79 79 ILE H H 79 9.292 9.292 8.229 1.063 25125
5250 1 8 . 1 1 80 80 ILE N N 80 127.023 127.023 123.107 3.916 25125
5251 1 8 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.352 0.507 25125
5252 1 8 . 1 1 80 80 ILE C C 80 175.029 175.029 174.900 0.129 25125
5253 1 8 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.344 -1.187 25125
5254 1 8 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.858 -1.914 25125
5255 1 8 . 1 1 80 80 ILE H H 80 7.938 7.938 8.718 -0.780 25125
5256 1 8 . 1 1 81 81 MET N N 81 127.255 127.255 125.791 1.464 25125
5257 1 8 . 1 1 81 81 MET HA H 81 5.521 5.521 5.624 -0.103 25125
5258 1 8 . 1 1 81 81 MET C C 81 174.534 174.534 175.498 -0.964 25125
5259 1 8 . 1 1 81 81 MET CA C 81 53.513 53.513 54.984 -1.471 25125
5260 1 8 . 1 1 81 81 MET CB C 81 35.483 35.483 35.580 -0.097 25125
5261 1 8 . 1 1 81 81 MET H H 81 8.801 8.801 8.285 0.516 25125
5262 1 8 . 1 1 82 82 THR N N 82 112.857 112.857 117.983 -5.126 25125
5263 1 8 . 1 1 82 82 THR HA H 82 4.914 4.914 4.489 0.425 25125
5264 1 8 . 1 1 82 82 THR C C 82 172.581 172.581 173.180 -0.599 25125
5265 1 8 . 1 1 82 82 THR CA C 82 59.561 59.561 63.145 -3.584 25125
5266 1 8 . 1 1 82 82 THR CB C 82 69.989 69.989 69.556 0.433 25125
5267 1 8 . 1 1 82 82 THR H H 82 7.623 7.623 8.306 -0.683 25125
5268 1 8 . 1 1 83 83 ALA N N 83 129.541 129.541 126.267 3.274 25125
5269 1 8 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.976 0.732 25125
5270 1 8 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.772 -1.234 25125
5271 1 8 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.252 1.895 25125
5272 1 8 . 1 1 83 83 ALA H H 83 9.149 9.149 8.293 0.856 25125
5273 1 8 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.604 -0.332 25125
5274 1 8 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.983 3.716 25125
5275 1 8 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.547 -0.529 25125
5276 1 8 . 1 1 85 85 SER N N 85 112.633 112.633 114.253 -1.620 25125
5277 1 8 . 1 1 85 85 SER HA H 85 4.198 4.198 4.441 -0.243 25125
5278 1 8 . 1 1 85 85 SER C C 85 174.506 174.506 173.191 1.315 25125
5279 1 8 . 1 1 85 85 SER CA C 85 59.823 59.823 58.647 1.176 25125
5280 1 8 . 1 1 85 85 SER CB C 85 62.693 62.693 64.112 -1.419 25125
5281 1 8 . 1 1 85 85 SER H H 85 8.224 8.224 7.209 1.015 25125
5282 1 8 . 1 1 86 86 ASP N N 86 120.886 120.886 120.929 -0.043 25125
5283 1 8 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.656 0.280 25125
5284 1 8 . 1 1 86 86 ASP C C 86 175.881 175.881 176.118 -0.237 25125
5285 1 8 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.869 -0.935 25125
5286 1 8 . 1 1 86 86 ASP CB C 86 42.003 42.003 42.307 -0.304 25125
5287 1 8 . 1 1 86 86 ASP H H 86 7.608 7.608 8.100 -0.492 25125
5288 1 8 . 1 1 87 87 LEU N N 87 121.913 121.913 120.783 1.130 25125
5289 1 8 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.577 0.342 25125
5290 1 8 . 1 1 87 87 LEU C C 87 177.586 177.586 177.942 -0.356 25125
5291 1 8 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.549 -0.712 25125
5292 1 8 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.469 0.846 25125
5293 1 8 . 1 1 87 87 LEU H H 87 7.498 7.498 8.112 -0.614 25125
5294 1 8 . 1 1 88 88 ASP N N 88 117.621 117.621 117.588 0.033 25125
5295 1 8 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.188 0.084 25125
5296 1 8 . 1 1 88 88 ASP C C 88 178.246 178.246 177.302 0.944 25125
5297 1 8 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.293 -0.483 25125
5298 1 8 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.425 -0.291 25125
5299 1 8 . 1 1 88 88 ASP H H 88 8.322 8.322 8.478 -0.156 25125
5300 1 8 . 1 1 89 89 ALA N N 89 122.874 122.874 121.061 1.813 25125
5301 1 8 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.344 -0.250 25125
5302 1 8 . 1 1 89 89 ALA C C 89 179.346 179.346 179.437 -0.091 25125
5303 1 8 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.304 -0.151 25125
5304 1 8 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.823 -0.562 25125
5305 1 8 . 1 1 89 89 ALA H H 89 7.838 7.838 7.501 0.337 25125
5306 1 8 . 1 1 90 90 ALA N N 90 121.673 121.673 122.066 -0.393 25125
5307 1 8 . 1 1 90 90 ALA HA H 90 3.933 3.933 3.960 -0.027 25125
5308 1 8 . 1 1 90 90 ALA C C 90 178.686 178.686 179.562 -0.876 25125
5309 1 8 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.043 -0.380 25125
5310 1 8 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.366 0.016 25125
5311 1 8 . 1 1 90 90 ALA H H 90 7.896 7.896 8.393 -0.497 25125
5312 1 8 . 1 1 91 91 VAL N N 91 117.749 117.749 117.401 0.348 25125
5313 1 8 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.982 -0.370 25125
5314 1 8 . 1 1 91 91 VAL C C 91 178.411 178.411 177.290 1.121 25125
5315 1 8 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.673 -1.492 25125
5316 1 8 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.784 -0.147 25125
5317 1 8 . 1 1 91 91 VAL H H 91 8.098 8.098 8.481 -0.383 25125
5318 1 8 . 1 1 92 92 SER N N 92 114.942 114.942 113.509 1.433 25125
5319 1 8 . 1 1 92 92 SER HA H 92 4.231 4.231 4.430 -0.199 25125
5320 1 8 . 1 1 92 92 SER C C 92 175.826 175.826 175.353 0.473 25125
5321 1 8 . 1 1 92 92 SER CA C 92 60.649 60.649 59.751 0.898 25125
5322 1 8 . 1 1 92 92 SER CB C 92 63.063 63.063 64.236 -1.173 25125
5323 1 8 . 1 1 92 92 SER H H 92 7.825 7.825 7.835 -0.010 25125
5324 1 8 . 1 1 93 93 ALA N N 93 122.580 122.580 122.758 -0.178 25125
5325 1 8 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.202 -0.145 25125
5326 1 8 . 1 1 93 93 ALA C C 93 178.906 178.906 179.609 -0.703 25125
5327 1 8 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.567 -0.250 25125
5328 1 8 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.710 -0.413 25125
5329 1 8 . 1 1 93 93 ALA H H 93 7.861 7.861 8.367 -0.506 25125
5330 1 8 . 1 1 94 94 TYR N N 94 118.447 118.447 120.436 -1.989 25125
5331 1 8 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.255 0.237 25125
5332 1 8 . 1 1 94 94 TYR C C 94 177.393 177.393 177.645 -0.252 25125
5333 1 8 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.960 -0.709 25125
5334 1 8 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.106 0.328 25125
5335 1 8 . 1 1 94 94 TYR H H 94 8.150 8.150 7.978 0.172 25125
5336 1 8 . 1 1 95 95 GLN N N 95 119.787 119.787 116.199 3.588 25125
5337 1 8 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.038 0.005 25125
5338 1 8 . 1 1 95 95 GLN C C 95 176.981 176.981 176.684 0.297 25125
5339 1 8 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.875 0.591 25125
5340 1 8 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.732 0.357 25125
5341 1 8 . 1 1 95 95 GLN H H 95 8.271 8.271 8.059 0.212 25125
5342 1 8 . 1 1 96 96 GLN N N 96 117.878 117.878 118.369 -0.491 25125
5343 1 8 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.213 0.132 25125
5344 1 8 . 1 1 96 96 GLN C C 96 175.854 175.854 176.472 -0.618 25125
5345 1 8 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.698 -0.527 25125
5346 1 8 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.588 -0.113 25125
5347 1 8 . 1 1 96 96 GLN H H 96 7.944 7.944 7.819 0.125 25125
5348 1 8 . 1 1 97 97 GLY N N 97 106.670 106.670 105.662 1.008 25125
5349 1 8 . 1 1 97 97 GLY C C 97 174.231 174.231 173.159 1.072 25125
5350 1 8 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.746 0.740 25125
5351 1 8 . 1 1 97 97 GLY H H 97 7.949 7.949 8.195 -0.246 25125
5352 1 8 . 1 1 98 98 ALA N N 98 122.898 122.898 121.022 1.876 25125
5353 1 8 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.409 -0.034 25125
5354 1 8 . 1 1 98 98 ALA C C 98 175.991 175.991 175.661 0.330 25125
5355 1 8 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.048 2.119 25125
5356 1 8 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.272 -1.303 25125
5357 1 8 . 1 1 98 98 ALA H H 98 7.808 7.808 7.191 0.617 25125
5358 1 8 . 1 1 99 99 PHE N N 99 123.484 123.484 118.968 4.516 25125
5359 1 8 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.445 -0.095 25125
5360 1 8 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.612 1.844 25125
5361 1 8 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.256 -0.816 25125
5362 1 8 . 1 1 99 99 PHE H H 99 7.704 7.704 8.270 -0.566 25125
5363 1 8 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.938 0.566 25125
5364 1 8 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.081 -1.599 25125
5365 1 8 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.497 3.703 25125
5366 1 8 . 1 1 101 101 TYR N N 101 118.148 118.148 121.907 -3.759 25125
5367 1 8 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.492 0.956 25125
5368 1 8 . 1 1 101 101 TYR C C 101 173.159 173.159 174.174 -1.015 25125
5369 1 8 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.809 -0.822 25125
5370 1 8 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.075 2.823 25125
5371 1 8 . 1 1 101 101 TYR H H 101 9.546 9.546 7.587 1.959 25125
5372 1 8 . 1 1 102 102 LEU N N 102 124.100 124.100 120.865 3.235 25125
5373 1 8 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.079 -0.359 25125
5374 1 8 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.135 -0.635 25125
5375 1 8 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.756 -0.695 25125
5376 1 8 . 1 1 102 102 LEU H H 102 8.901 8.901 8.705 0.196 25125
5377 1 8 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.678 0.215 25125
5378 1 8 . 1 1 103 103 PRO C C 103 175.524 175.524 175.378 0.146 25125
5379 1 8 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.400 -0.515 25125
5380 1 8 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.129 -0.322 25125
5381 1 8 . 1 1 104 104 LYS N N 104 118.848 118.848 121.104 -2.256 25125
5382 1 8 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.889 -0.376 25125
5383 1 8 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.766 -0.548 25125
5384 1 8 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.129 1.615 25125
5385 1 8 . 1 1 104 104 LYS H H 104 8.279 8.279 8.091 0.188 25125
5386 1 8 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.452 -0.153 25125
5387 1 8 . 1 1 105 105 PRO C C 105 175.001 175.001 175.327 -0.326 25125
5388 1 8 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.627 -0.233 25125
5389 1 8 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.162 1.933 25125
5390 1 8 . 1 1 106 106 PHE N N 106 116.607 116.607 114.209 2.398 25125
5391 1 8 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.711 0.459 25125
5392 1 8 . 1 1 106 106 PHE C C 106 175.221 175.221 173.847 1.374 25125
5393 1 8 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.931 -2.495 25125
5394 1 8 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.400 0.000 25125
5395 1 8 . 1 1 106 106 PHE H H 106 7.457 7.457 7.533 -0.076 25125
5396 1 8 . 1 1 107 107 ASP N N 107 122.214 122.214 122.006 0.208 25125
5397 1 8 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.071 -0.239 25125
5398 1 8 . 1 1 107 107 ASP C C 107 177.778 177.778 177.147 0.631 25125
5399 1 8 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.630 -0.388 25125
5400 1 8 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.213 1.384 25125
5401 1 8 . 1 1 107 107 ASP H H 107 9.022 9.022 8.796 0.226 25125
5402 1 8 . 1 1 108 108 ILE N N 108 127.706 127.706 125.163 2.543 25125
5403 1 8 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.761 0.204 25125
5404 1 8 . 1 1 108 108 ILE C C 108 176.046 176.046 177.494 -1.448 25125
5405 1 8 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.900 -1.911 25125
5406 1 8 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.140 -0.386 25125
5407 1 8 . 1 1 108 108 ILE H H 108 8.860 8.860 8.779 0.081 25125
5408 1 8 . 1 1 109 109 ASP N N 109 120.058 120.058 119.238 0.820 25125
5409 1 8 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.378 0.010 25125
5410 1 8 . 1 1 109 109 ASP C C 109 179.786 179.786 178.761 1.025 25125
5411 1 8 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.642 -0.148 25125
5412 1 8 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.612 -0.558 25125
5413 1 8 . 1 1 109 109 ASP H H 109 8.079 8.079 8.667 -0.588 25125
5414 1 8 . 1 1 110 110 GLU N N 110 121.559 121.559 119.270 2.289 25125
5415 1 8 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.174 -0.106 25125
5416 1 8 . 1 1 110 110 GLU C C 110 179.043 179.043 178.548 0.495 25125
5417 1 8 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.459 0.367 25125
5418 1 8 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.071 -0.728 25125
5419 1 8 . 1 1 110 110 GLU H H 110 8.012 8.012 8.082 -0.070 25125
5420 1 8 . 1 1 111 111 ALA N N 111 122.267 122.267 123.602 -1.335 25125
5421 1 8 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.965 -0.211 25125
5422 1 8 . 1 1 111 111 ALA C C 111 178.493 178.493 179.586 -1.093 25125
5423 1 8 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.321 -0.149 25125
5424 1 8 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.249 0.133 25125
5425 1 8 . 1 1 111 111 ALA H H 111 7.897 7.897 8.144 -0.247 25125
5426 1 8 . 1 1 112 112 VAL N N 112 116.527 116.527 118.028 -1.501 25125
5427 1 8 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.582 -0.415 25125
5428 1 8 . 1 1 112 112 VAL C C 112 177.201 177.201 177.806 -0.605 25125
5429 1 8 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.688 0.457 25125
5430 1 8 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.295 0.257 25125
5431 1 8 . 1 1 112 112 VAL H H 112 8.018 8.018 8.353 -0.335 25125
5432 1 8 . 1 1 113 113 ALA N N 113 119.895 119.895 120.564 -0.669 25125
5433 1 8 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.088 0.050 25125
5434 1 8 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.383 0.449 25125
5435 1 8 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.764 -0.892 25125
5436 1 8 . 1 1 113 113 ALA H H 113 7.673 7.673 7.344 0.329 25125
5437 1 8 . 1 1 114 114 LEU N N 114 120.650 120.650 120.632 0.018 25125
5438 1 8 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.094 -0.011 25125
5439 1 8 . 1 1 114 114 LEU C C 114 178.466 178.466 178.526 -0.060 25125
5440 1 8 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.716 0.304 25125
5441 1 8 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.040 -0.207 25125
5442 1 8 . 1 1 114 114 LEU H H 114 7.840 7.840 7.767 0.073 25125
5443 1 8 . 1 1 115 115 VAL N N 115 119.480 119.480 118.299 1.181 25125
5444 1 8 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.429 -0.217 25125
5445 1 8 . 1 1 115 115 VAL C C 115 177.448 177.448 176.987 0.461 25125
5446 1 8 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.035 1.166 25125
5447 1 8 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.946 -1.274 25125
5448 1 8 . 1 1 115 115 VAL H H 115 7.824 7.824 7.977 -0.153 25125
5449 1 8 . 1 1 116 116 GLU N N 116 117.473 117.473 119.105 -1.632 25125
5450 1 8 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.907 -0.118 25125
5451 1 8 . 1 1 116 116 GLU C C 116 179.566 179.566 178.804 0.762 25125
5452 1 8 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.672 0.258 25125
5453 1 8 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.308 -0.212 25125
5454 1 8 . 1 1 116 116 GLU H H 116 8.465 8.465 7.582 0.883 25125
5455 1 8 . 1 1 117 117 ARG N N 117 120.128 120.128 119.187 0.941 25125
5456 1 8 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.090 -0.026 25125
5457 1 8 . 1 1 117 117 ARG C C 117 178.438 178.438 177.281 1.157 25125
5458 1 8 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.895 0.383 25125
5459 1 8 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.084 0.193 25125
5460 1 8 . 1 1 117 117 ARG H H 117 8.012 8.012 7.633 0.379 25125
5461 1 8 . 1 1 118 118 ALA N N 118 122.270 122.270 120.447 1.823 25125
5462 1 8 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.960 -0.504 25125
5463 1 8 . 1 1 118 118 ALA C C 118 178.741 178.741 178.608 0.133 25125
5464 1 8 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.803 0.775 25125
5465 1 8 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.997 -0.839 25125
5466 1 8 . 1 1 118 118 ALA H H 118 7.958 7.958 7.175 0.783 25125
5467 1 8 . 1 1 119 119 ILE N N 119 115.269 115.269 118.371 -3.102 25125
5468 1 8 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.139 -0.411 25125
5469 1 8 . 1 1 119 119 ILE C C 119 177.366 177.366 178.532 -1.166 25125
5470 1 8 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.646 -0.977 25125
5471 1 8 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.468 -0.670 25125
5472 1 8 . 1 1 119 119 ILE H H 119 7.753 7.753 7.835 -0.082 25125
5473 1 8 . 1 1 120 120 SER N N 120 115.135 115.135 114.748 0.387 25125
5474 1 8 . 1 1 120 120 SER HA H 120 4.275 4.275 4.093 0.181 25125
5475 1 8 . 1 1 120 120 SER C C 120 175.084 175.084 175.101 -0.017 25125
5476 1 8 . 1 1 120 120 SER CA C 120 59.816 59.816 61.649 -1.833 25125
5477 1 8 . 1 1 120 120 SER CB C 120 63.380 63.380 62.932 0.448 25125
5478 1 8 . 1 1 120 120 SER H H 120 7.816 7.816 8.146 -0.330 25125
5479 1 8 . 1 1 121 121 HIS N N 121 119.908 119.908 118.907 1.001 25125
5480 1 8 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.170 0.252 25125
5481 1 8 . 1 1 121 121 HIS C C 121 175.029 175.029 176.123 -1.094 25125
5482 1 8 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.599 -1.363 25125
5483 1 8 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.575 -0.147 25125
5484 1 8 . 1 1 121 121 HIS H H 121 7.910 7.910 7.795 0.115 25125
5485 1 8 . 1 1 122 122 TYR N N 122 118.880 118.880 116.566 2.314 25125
5486 1 8 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.637 -0.211 25125
5487 1 8 . 1 1 122 122 TYR C C 122 175.276 175.276 176.181 -0.905 25125
5488 1 8 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.739 -0.290 25125
5489 1 8 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.499 -0.895 25125
5490 1 8 . 1 1 122 122 TYR H H 122 7.766 7.766 7.757 0.009 25125
5491 1 8 . 1 1 123 123 GLN N N 123 121.479 121.479 118.285 3.194 25125
5492 1 8 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.486 -0.216 25125
5493 1 8 . 1 1 123 123 GLN C C 123 174.534 174.534 174.985 -0.451 25125
5494 1 8 . 1 1 123 123 GLN CA C 123 55.512 55.512 54.997 0.515 25125
5495 1 8 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.524 1.244 25125
5496 1 8 . 1 1 123 123 GLN H H 123 7.878 7.878 7.663 0.215 25125
5497 1 9 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.633 -0.200 25125
5498 1 9 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.659 -1.095 25125
5499 1 9 . 1 1 2 2 GLN CB C 2 29.600 29.600 28.519 1.081 25125
5500 1 9 . 1 1 3 3 ARG N N 3 121.252 121.252 124.643 -3.391 25125
5501 1 9 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.438 -0.073 25125
5502 1 9 . 1 1 3 3 ARG C C 3 175.634 175.634 175.234 0.400 25125
5503 1 9 . 1 1 3 3 ARG CA C 3 55.991 55.991 55.757 0.234 25125
5504 1 9 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.732 0.565 25125
5505 1 9 . 1 1 3 3 ARG H H 3 8.429 8.429 8.088 0.341 25125
5506 1 9 . 1 1 4 4 GLY N N 4 107.663 107.663 108.205 -0.542 25125
5507 1 9 . 1 1 4 4 GLY C C 4 171.041 171.041 173.185 -2.144 25125
5508 1 9 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.364 0.952 25125
5509 1 9 . 1 1 4 4 GLY H H 4 7.963 7.963 7.736 0.227 25125
5510 1 9 . 1 1 5 5 ILE N N 5 122.603 122.603 123.825 -1.222 25125
5511 1 9 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.033 0.666 25125
5512 1 9 . 1 1 5 5 ILE C C 5 175.359 175.359 174.897 0.462 25125
5513 1 9 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.471 -0.861 25125
5514 1 9 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.335 0.241 25125
5515 1 9 . 1 1 5 5 ILE H H 5 9.610 9.610 7.957 1.653 25125
5516 1 9 . 1 1 6 6 VAL N N 6 127.905 127.905 125.970 1.935 25125
5517 1 9 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.907 -0.095 25125
5518 1 9 . 1 1 6 6 VAL C C 6 174.204 174.204 175.329 -1.125 25125
5519 1 9 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.791 -1.232 25125
5520 1 9 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.125 1.401 25125
5521 1 9 . 1 1 6 6 VAL H H 6 9.090 9.090 7.987 1.103 25125
5522 1 9 . 1 1 7 7 TRP N N 7 127.467 127.467 128.526 -1.059 25125
5523 1 9 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.255 1.199 25125
5524 1 9 . 1 1 7 7 TRP C C 7 175.056 175.056 175.018 0.038 25125
5525 1 9 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.209 -1.331 25125
5526 1 9 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.321 0.813 25125
5527 1 9 . 1 1 7 7 TRP H H 7 8.497 8.497 8.770 -0.273 25125
5528 1 9 . 1 1 8 8 VAL N N 8 122.068 122.068 120.619 1.449 25125
5529 1 9 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.673 0.413 25125
5530 1 9 . 1 1 8 8 VAL C C 8 173.874 173.874 173.929 -0.055 25125
5531 1 9 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.904 -0.418 25125
5532 1 9 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.091 0.624 25125
5533 1 9 . 1 1 8 8 VAL H H 8 8.583 8.583 9.453 -0.870 25125
5534 1 9 . 1 1 9 9 VAL N N 9 127.733 127.733 125.329 2.404 25125
5535 1 9 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.622 0.339 25125
5536 1 9 . 1 1 9 9 VAL C C 9 173.131 173.131 173.764 -0.633 25125
5537 1 9 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.047 -1.373 25125
5538 1 9 . 1 1 9 9 VAL CB C 9 32.911 32.911 33.194 -0.284 25125
5539 1 9 . 1 1 9 9 VAL H H 9 9.107 9.107 8.467 0.640 25125
5540 1 9 . 1 1 10 10 ASP N N 10 124.306 124.306 127.410 -3.104 25125
5541 1 9 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.365 -0.796 25125
5542 1 9 . 1 1 10 10 ASP C C 10 175.029 175.029 175.630 -0.601 25125
5543 1 9 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.620 2.127 25125
5544 1 9 . 1 1 10 10 ASP CB C 10 44.109 44.109 44.248 -0.139 25125
5545 1 9 . 1 1 10 10 ASP H H 10 7.775 7.775 7.979 -0.204 25125
5546 1 9 . 1 1 11 11 ASP N N 11 126.714 126.714 119.836 6.878 25125
5547 1 9 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.656 -0.121 25125
5548 1 9 . 1 1 11 11 ASP C C 11 175.689 175.689 174.957 0.732 25125
5549 1 9 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.805 0.913 25125
5550 1 9 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.499 0.575 25125
5551 1 9 . 1 1 11 11 ASP H H 11 9.033 9.033 8.633 0.400 25125
5552 1 9 . 1 1 12 12 ASP N N 12 121.877 121.877 118.178 3.699 25125
5553 1 9 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.842 -0.196 25125
5554 1 9 . 1 1 12 12 ASP C C 12 177.036 177.036 176.541 0.495 25125
5555 1 9 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.608 -0.305 25125
5556 1 9 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.452 -2.288 25125
5557 1 9 . 1 1 12 12 ASP H H 12 9.570 9.570 7.816 1.754 25125
5558 1 9 . 1 1 13 13 SER N N 13 123.799 123.799 118.945 4.854 25125
5559 1 9 . 1 1 13 13 SER HA H 13 3.761 3.761 4.257 -0.496 25125
5560 1 9 . 1 1 13 13 SER C C 13 176.156 176.156 175.813 0.343 25125
5561 1 9 . 1 1 13 13 SER CA C 13 61.186 61.186 62.167 -0.981 25125
5562 1 9 . 1 1 13 13 SER CB C 13 62.749 62.749 63.183 -0.434 25125
5563 1 9 . 1 1 13 13 SER H H 13 8.850 8.850 8.885 -0.035 25125
5564 1 9 . 1 1 14 14 SER N N 14 119.123 119.123 118.042 1.081 25125
5565 1 9 . 1 1 14 14 SER HA H 14 4.361 4.361 4.433 -0.072 25125
5566 1 9 . 1 1 14 14 SER C C 14 176.404 176.404 176.160 0.244 25125
5567 1 9 . 1 1 14 14 SER CA C 14 61.730 61.730 61.431 0.298 25125
5568 1 9 . 1 1 14 14 SER CB C 14 62.548 62.548 62.798 -0.250 25125
5569 1 9 . 1 1 14 14 SER H H 14 8.531 8.531 8.700 -0.169 25125
5570 1 9 . 1 1 15 15 ILE N N 15 123.637 123.637 123.100 0.537 25125
5571 1 9 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.094 -0.149 25125
5572 1 9 . 1 1 15 15 ILE C C 15 177.861 177.861 177.732 0.129 25125
5573 1 9 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.129 -1.929 25125
5574 1 9 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.127 -1.241 25125
5575 1 9 . 1 1 15 15 ILE H H 15 7.206 7.206 7.831 -0.625 25125
5576 1 9 . 1 1 16 16 ARG N N 16 116.694 116.694 119.891 -3.197 25125
5577 1 9 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.382 -0.659 25125
5578 1 9 . 1 1 16 16 ARG C C 16 177.448 177.448 178.510 -1.062 25125
5579 1 9 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.836 2.737 25125
5580 1 9 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.045 0.402 25125
5581 1 9 . 1 1 16 16 ARG H H 16 7.562 7.562 7.925 -0.363 25125
5582 1 9 . 1 1 17 17 TRP N N 17 116.848 116.848 122.991 -6.143 25125
5583 1 9 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.338 0.133 25125
5584 1 9 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.787 -1.347 25125
5585 1 9 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.460 -0.168 25125
5586 1 9 . 1 1 17 17 TRP H H 17 8.005 8.005 8.504 -0.499 25125
5587 1 9 . 1 1 18 18 VAL N N 18 116.964 116.964 118.988 -2.024 25125
5588 1 9 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.542 1.133 25125
5589 1 9 . 1 1 18 18 VAL C C 18 179.181 179.181 177.452 1.729 25125
5590 1 9 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.568 0.140 25125
5591 1 9 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.499 0.138 25125
5592 1 9 . 1 1 18 18 VAL H H 18 8.110 8.110 7.591 0.519 25125
5593 1 9 . 1 1 19 19 LEU N N 19 120.186 120.186 117.763 2.423 25125
5594 1 9 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.029 0.046 25125
5595 1 9 . 1 1 19 19 LEU C C 19 177.778 177.778 178.970 -1.192 25125
5596 1 9 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.457 0.365 25125
5597 1 9 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.489 0.291 25125
5598 1 9 . 1 1 19 19 LEU H H 19 8.073 8.073 7.578 0.495 25125
5599 1 9 . 1 1 20 20 GLU N N 20 120.193 120.193 119.165 1.028 25125
5600 1 9 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.017 -0.076 25125
5601 1 9 . 1 1 20 20 GLU C C 20 178.603 178.603 178.678 -0.075 25125
5602 1 9 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.345 1.265 25125
5603 1 9 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.731 -0.643 25125
5604 1 9 . 1 1 20 20 GLU H H 20 8.387 8.387 8.195 0.192 25125
5605 1 9 . 1 1 21 21 ARG N N 21 116.076 116.076 118.978 -2.902 25125
5606 1 9 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.911 -0.018 25125
5607 1 9 . 1 1 21 21 ARG C C 21 179.676 179.676 178.601 1.075 25125
5608 1 9 . 1 1 21 21 ARG CA C 21 58.449 58.449 57.651 0.798 25125
5609 1 9 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.818 1.035 25125
5610 1 9 . 1 1 21 21 ARG H H 21 7.602 7.602 7.538 0.064 25125
5611 1 9 . 1 1 22 22 ALA N N 22 122.405 122.405 121.847 0.558 25125
5612 1 9 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.027 0.070 25125
5613 1 9 . 1 1 22 22 ALA C C 22 180.501 180.501 179.955 0.546 25125
5614 1 9 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.972 -0.394 25125
5615 1 9 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.072 1.160 25125
5616 1 9 . 1 1 22 22 ALA H H 22 7.992 7.992 7.592 0.400 25125
5617 1 9 . 1 1 23 23 LEU N N 23 118.026 118.026 118.396 -0.370 25125
5618 1 9 . 1 1 23 23 LEU HA H 23 4.001 4.001 3.945 0.056 25125
5619 1 9 . 1 1 23 23 LEU C C 23 178.878 178.878 179.319 -0.441 25125
5620 1 9 . 1 1 23 23 LEU CA C 23 57.721 57.721 57.305 0.416 25125
5621 1 9 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.660 -2.005 25125
5622 1 9 . 1 1 23 23 LEU H H 23 8.825 8.825 7.403 1.422 25125
5623 1 9 . 1 1 24 24 ALA N N 24 122.159 122.159 120.617 1.542 25125
5624 1 9 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.027 0.606 25125
5625 1 9 . 1 1 24 24 ALA C C 24 183.141 183.141 178.808 4.333 25125
5626 1 9 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.320 0.427 25125
5627 1 9 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.674 -0.972 25125
5628 1 9 . 1 1 24 24 ALA H H 24 8.125 8.125 8.301 -0.176 25125
5629 1 9 . 1 1 25 25 GLY N N 25 106.891 106.891 105.297 1.594 25125
5630 1 9 . 1 1 25 25 GLY C C 25 174.286 174.286 174.095 0.191 25125
5631 1 9 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.970 1.451 25125
5632 1 9 . 1 1 25 25 GLY H H 25 7.870 7.870 7.979 -0.109 25125
5633 1 9 . 1 1 26 26 ALA N N 26 121.819 121.819 122.778 -0.959 25125
5634 1 9 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.626 -0.127 25125
5635 1 9 . 1 1 26 26 ALA C C 26 176.953 176.953 177.994 -1.041 25125
5636 1 9 . 1 1 26 26 ALA CA C 26 51.519 51.519 50.868 0.651 25125
5637 1 9 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.171 -1.449 25125
5638 1 9 . 1 1 26 26 ALA H H 26 7.285 7.285 7.373 -0.088 25125
5639 1 9 . 1 1 27 27 GLY N N 27 106.197 106.197 107.532 -1.335 25125
5640 1 9 . 1 1 27 27 GLY C C 27 173.956 173.956 173.123 0.833 25125
5641 1 9 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.769 0.547 25125
5642 1 9 . 1 1 27 27 GLY H H 27 7.824 7.824 8.644 -0.820 25125
5643 1 9 . 1 1 28 28 LEU N N 28 120.291 120.291 118.305 1.986 25125
5644 1 9 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.691 -0.116 25125
5645 1 9 . 1 1 28 28 LEU C C 28 175.881 175.881 176.140 -0.259 25125
5646 1 9 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.257 0.386 25125
5647 1 9 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.765 -2.280 25125
5648 1 9 . 1 1 28 28 LEU H H 28 7.678 7.678 7.123 0.555 25125
5649 1 9 . 1 1 29 29 THR N N 29 118.040 118.040 116.987 1.053 25125
5650 1 9 . 1 1 29 29 THR HA H 29 4.335 4.335 4.245 0.090 25125
5651 1 9 . 1 1 29 29 THR C C 29 173.186 173.186 173.940 -0.754 25125
5652 1 9 . 1 1 29 29 THR CA C 29 62.479 62.479 64.006 -1.527 25125
5653 1 9 . 1 1 29 29 THR CB C 29 69.465 69.465 69.362 0.103 25125
5654 1 9 . 1 1 29 29 THR H H 29 8.527 8.527 8.459 0.068 25125
5655 1 9 . 1 1 30 30 CYS N N 30 128.387 128.387 121.072 7.315 25125
5656 1 9 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.263 0.680 25125
5657 1 9 . 1 1 30 30 CYS C C 30 173.846 173.846 174.144 -0.298 25125
5658 1 9 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.765 -0.403 25125
5659 1 9 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.690 -0.210 25125
5660 1 9 . 1 1 30 30 CYS H H 30 8.968 8.968 8.431 0.537 25125
5661 1 9 . 1 1 31 31 THR N N 31 126.481 126.481 124.528 1.953 25125
5662 1 9 . 1 1 31 31 THR HA H 31 4.433 4.433 4.375 0.058 25125
5663 1 9 . 1 1 31 31 THR C C 31 172.609 172.609 173.275 -0.666 25125
5664 1 9 . 1 1 31 31 THR CA C 31 61.951 61.951 61.356 0.595 25125
5665 1 9 . 1 1 31 31 THR CB C 31 70.567 70.567 69.782 0.785 25125
5666 1 9 . 1 1 31 31 THR H H 31 8.614 8.614 8.444 0.170 25125
5667 1 9 . 1 1 32 32 THR N N 32 116.418 116.418 118.237 -1.819 25125
5668 1 9 . 1 1 32 32 THR HA H 32 5.330 5.330 5.254 0.076 25125
5669 1 9 . 1 1 32 32 THR C C 32 172.306 172.306 172.962 -0.656 25125
5670 1 9 . 1 1 32 32 THR CA C 32 59.173 59.173 60.005 -0.832 25125
5671 1 9 . 1 1 32 32 THR CB C 32 70.917 70.917 69.757 1.160 25125
5672 1 9 . 1 1 32 32 THR H H 32 8.299 8.299 8.245 0.054 25125
5673 1 9 . 1 1 33 33 PHE N N 33 118.067 118.067 124.645 -6.578 25125
5674 1 9 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.863 -0.220 25125
5675 1 9 . 1 1 33 33 PHE C C 33 174.341 174.341 175.676 -1.335 25125
5676 1 9 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.084 0.448 25125
5677 1 9 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.324 0.985 25125
5678 1 9 . 1 1 33 33 PHE H H 33 8.890 8.890 8.756 0.134 25125
5679 1 9 . 1 1 34 34 GLU N N 34 118.499 118.499 115.873 2.626 25125
5680 1 9 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.430 -0.076 25125
5681 1 9 . 1 1 34 34 GLU C C 34 175.414 175.414 175.535 -0.121 25125
5682 1 9 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.421 0.271 25125
5683 1 9 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.174 0.293 25125
5684 1 9 . 1 1 34 34 GLU H H 34 9.023 9.023 8.666 0.357 25125
5685 1 9 . 1 1 35 35 ASN N N 35 109.907 109.907 119.369 -9.462 25125
5686 1 9 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.970 -0.189 25125
5687 1 9 . 1 1 35 35 ASN C C 35 175.139 175.139 176.117 -0.978 25125
5688 1 9 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.095 0.051 25125
5689 1 9 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.662 1.661 25125
5690 1 9 . 1 1 35 35 ASN H H 35 7.401 7.401 8.077 -0.676 25125
5691 1 9 . 1 1 36 36 GLY N N 36 106.739 106.739 110.708 -3.969 25125
5692 1 9 . 1 1 36 36 GLY C C 36 174.616 174.616 175.266 -0.650 25125
5693 1 9 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.992 0.024 25125
5694 1 9 . 1 1 36 36 GLY H H 36 8.877 8.877 8.955 -0.078 25125
5695 1 9 . 1 1 37 37 ASN N N 37 120.462 120.462 118.710 1.752 25125
5696 1 9 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.502 -0.140 25125
5697 1 9 . 1 1 37 37 ASN C C 37 178.686 178.686 176.598 2.088 25125
5698 1 9 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.897 0.635 25125
5699 1 9 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.413 -0.829 25125
5700 1 9 . 1 1 37 37 ASN H H 37 8.366 8.366 8.402 -0.036 25125
5701 1 9 . 1 1 38 38 GLU N N 38 119.360 119.360 119.867 -0.507 25125
5702 1 9 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.067 0.003 25125
5703 1 9 . 1 1 38 38 GLU C C 38 179.263 179.263 178.346 0.917 25125
5704 1 9 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.944 -0.312 25125
5705 1 9 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.345 1.187 25125
5706 1 9 . 1 1 38 38 GLU H H 38 7.990 7.990 7.695 0.295 25125
5707 1 9 . 1 1 39 39 VAL N N 39 119.259 119.259 117.853 1.406 25125
5708 1 9 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.097 -0.329 25125
5709 1 9 . 1 1 39 39 VAL C C 39 176.431 176.431 177.483 -1.052 25125
5710 1 9 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.013 -0.070 25125
5711 1 9 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.619 -0.544 25125
5712 1 9 . 1 1 39 39 VAL H H 39 6.883 6.883 7.159 -0.276 25125
5713 1 9 . 1 1 40 40 LEU N N 40 119.627 119.627 122.279 -2.652 25125
5714 1 9 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.003 -0.076 25125
5715 1 9 . 1 1 40 40 LEU C C 40 179.538 179.538 178.260 1.278 25125
5716 1 9 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.082 -0.142 25125
5717 1 9 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.216 -0.148 25125
5718 1 9 . 1 1 40 40 LEU H H 40 7.692 7.692 7.310 0.382 25125
5719 1 9 . 1 1 41 41 ALA N N 41 120.051 120.051 120.096 -0.045 25125
5720 1 9 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.153 -0.013 25125
5721 1 9 . 1 1 41 41 ALA C C 41 180.528 180.528 179.392 1.136 25125
5722 1 9 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.475 0.175 25125
5723 1 9 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.963 -0.097 25125
5724 1 9 . 1 1 41 41 ALA H H 41 7.553 7.553 7.576 -0.023 25125
5725 1 9 . 1 1 42 42 ALA N N 42 122.731 122.731 122.105 0.626 25125
5726 1 9 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.160 0.039 25125
5727 1 9 . 1 1 42 42 ALA C C 42 180.198 180.198 180.203 -0.005 25125
5728 1 9 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.520 0.512 25125
5729 1 9 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.104 1.295 25125
5730 1 9 . 1 1 42 42 ALA H H 42 7.604 7.604 7.204 0.400 25125
5731 1 9 . 1 1 43 43 LEU N N 43 119.131 119.131 118.645 0.486 25125
5732 1 9 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.978 1.228 25125
5733 1 9 . 1 1 43 43 LEU C C 43 177.421 177.421 178.410 -0.989 25125
5734 1 9 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.546 -2.001 25125
5735 1 9 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.047 1.557 25125
5736 1 9 . 1 1 43 43 LEU H H 43 8.288 8.288 8.027 0.261 25125
5737 1 9 . 1 1 44 44 ALA N N 44 119.065 119.065 118.366 0.699 25125
5738 1 9 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.205 0.024 25125
5739 1 9 . 1 1 44 44 ALA C C 44 178.686 178.686 178.823 -0.137 25125
5740 1 9 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.820 0.418 25125
5741 1 9 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.437 0.079 25125
5742 1 9 . 1 1 44 44 ALA H H 44 7.302 7.302 7.727 -0.425 25125
5743 1 9 . 1 1 45 45 SER N N 45 108.656 108.656 115.382 -6.726 25125
5744 1 9 . 1 1 45 45 SER HA H 45 4.742 4.742 4.402 0.340 25125
5745 1 9 . 1 1 45 45 SER C C 45 173.296 173.296 176.146 -2.850 25125
5746 1 9 . 1 1 45 45 SER CA C 45 58.656 58.656 60.612 -1.956 25125
5747 1 9 . 1 1 45 45 SER CB C 45 65.407 65.407 64.075 1.332 25125
5748 1 9 . 1 1 45 45 SER H H 45 7.728 7.728 7.996 -0.268 25125
5749 1 9 . 1 1 46 46 LYS N N 46 123.016 123.016 117.196 5.820 25125
5750 1 9 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.607 -0.021 25125
5751 1 9 . 1 1 46 46 LYS C C 46 172.719 172.719 175.834 -3.115 25125
5752 1 9 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.401 -0.889 25125
5753 1 9 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.439 1.786 25125
5754 1 9 . 1 1 46 46 LYS H H 46 8.101 8.101 7.790 0.311 25125
5755 1 9 . 1 1 47 47 THR N N 47 111.780 111.780 115.003 -3.223 25125
5756 1 9 . 1 1 47 47 THR HA H 47 4.282 4.282 3.988 0.294 25125
5757 1 9 . 1 1 47 47 THR CA C 47 57.806 57.806 62.135 -4.329 25125
5758 1 9 . 1 1 47 47 THR CB C 47 70.594 70.594 68.100 2.494 25125
5759 1 9 . 1 1 47 47 THR H H 47 7.677 7.677 7.699 -0.022 25125
5760 1 9 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.961 -0.056 25125
5761 1 9 . 1 1 48 48 PRO C C 48 172.966 172.966 175.183 -2.217 25125
5762 1 9 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.170 -1.306 25125
5763 1 9 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.446 -1.169 25125
5764 1 9 . 1 1 49 49 ASP N N 49 115.035 115.035 117.768 -2.733 25125
5765 1 9 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.771 -0.327 25125
5766 1 9 . 1 1 49 49 ASP C C 49 175.634 175.634 175.243 0.391 25125
5767 1 9 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.374 2.073 25125
5768 1 9 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.981 -0.469 25125
5769 1 9 . 1 1 49 49 ASP H H 49 8.502 8.502 7.964 0.538 25125
5770 1 9 . 1 1 50 50 VAL N N 50 112.082 112.082 115.988 -3.906 25125
5771 1 9 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.626 -0.346 25125
5772 1 9 . 1 1 50 50 VAL C C 50 171.454 171.454 172.807 -1.353 25125
5773 1 9 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.246 -0.684 25125
5774 1 9 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.320 0.316 25125
5775 1 9 . 1 1 50 50 VAL H H 50 7.173 7.173 7.160 0.013 25125
5776 1 9 . 1 1 51 51 LEU N N 51 128.247 128.247 126.400 1.847 25125
5777 1 9 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.405 -0.086 25125
5778 1 9 . 1 1 51 51 LEU C C 51 173.104 173.104 174.797 -1.693 25125
5779 1 9 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.284 -0.066 25125
5780 1 9 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.511 -0.005 25125
5781 1 9 . 1 1 51 51 LEU H H 51 8.059 8.059 8.356 -0.297 25125
5782 1 9 . 1 1 52 52 LEU N N 52 128.407 128.407 123.099 5.308 25125
5783 1 9 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.968 0.533 25125
5784 1 9 . 1 1 52 52 LEU C C 52 175.414 175.414 175.819 -0.405 25125
5785 1 9 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.098 0.225 25125
5786 1 9 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.283 2.238 25125
5787 1 9 . 1 1 52 52 LEU H H 52 9.242 9.242 9.208 0.034 25125
5788 1 9 . 1 1 53 53 SER N N 53 114.946 114.946 116.689 -1.743 25125
5789 1 9 . 1 1 53 53 SER HA H 53 5.595 5.595 4.699 0.896 25125
5790 1 9 . 1 1 53 53 SER C C 53 174.644 174.644 173.805 0.839 25125
5791 1 9 . 1 1 53 53 SER CA C 53 55.954 55.954 57.466 -1.512 25125
5792 1 9 . 1 1 53 53 SER CB C 53 66.473 66.473 64.659 1.814 25125
5793 1 9 . 1 1 53 53 SER H H 53 8.695 8.695 8.039 0.656 25125
5794 1 9 . 1 1 54 54 ASP N N 54 128.341 128.341 124.118 4.223 25125
5795 1 9 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.901 0.424 25125
5796 1 9 . 1 1 54 54 ASP C C 54 176.816 176.816 175.410 1.406 25125
5797 1 9 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.188 1.305 25125
5798 1 9 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.134 -0.806 25125
5799 1 9 . 1 1 54 54 ASP H H 54 7.886 7.886 7.994 -0.108 25125
5800 1 9 . 1 1 55 55 ILE N N 55 121.229 121.229 117.343 3.886 25125
5801 1 9 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.384 -0.199 25125
5802 1 9 . 1 1 55 55 ILE C C 55 175.084 175.084 174.251 0.833 25125
5803 1 9 . 1 1 55 55 ILE CA C 55 61.542 61.542 60.826 0.716 25125
5804 1 9 . 1 1 55 55 ILE CB C 55 39.029 39.029 39.707 -0.678 25125
5805 1 9 . 1 1 55 55 ILE H H 55 8.722 8.722 8.085 0.637 25125
5806 1 9 . 1 1 56 56 ARG N N 56 124.188 124.188 121.729 2.459 25125
5807 1 9 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.553 -0.048 25125
5808 1 9 . 1 1 56 56 ARG C C 56 175.661 175.661 174.667 0.994 25125
5809 1 9 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.899 -0.458 25125
5810 1 9 . 1 1 56 56 ARG CB C 56 30.362 30.362 30.498 -0.136 25125
5811 1 9 . 1 1 56 56 ARG H H 56 8.499 8.499 8.316 0.183 25125
5812 1 9 . 1 1 57 57 MET N N 57 122.581 122.581 121.528 1.053 25125
5813 1 9 . 1 1 57 57 MET HA H 57 4.821 4.821 4.969 -0.148 25125
5814 1 9 . 1 1 57 57 MET CA C 57 53.132 53.132 53.061 0.071 25125
5815 1 9 . 1 1 57 57 MET CB C 57 33.445 33.445 32.335 1.110 25125
5816 1 9 . 1 1 57 57 MET H H 57 7.956 7.956 7.598 0.358 25125
5817 1 9 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.414 -0.021 25125
5818 1 9 . 1 1 58 58 PRO C C 58 177.806 177.806 177.220 0.586 25125
5819 1 9 . 1 1 58 58 PRO CA C 58 63.499 63.499 65.281 -1.782 25125
5820 1 9 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.816 -0.009 25125
5821 1 9 . 1 1 59 59 GLY N N 59 111.082 111.082 106.513 4.569 25125
5822 1 9 . 1 1 59 59 GLY C C 59 173.626 173.626 175.336 -1.710 25125
5823 1 9 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.062 0.528 25125
5824 1 9 . 1 1 59 59 GLY H H 59 8.653 8.653 8.133 0.520 25125
5825 1 9 . 1 1 60 60 MET N N 60 120.052 120.052 119.776 0.276 25125
5826 1 9 . 1 1 60 60 MET HA H 60 4.525 4.525 4.278 0.247 25125
5827 1 9 . 1 1 60 60 MET C C 60 173.956 173.956 176.575 -2.619 25125
5828 1 9 . 1 1 60 60 MET CA C 60 55.047 55.047 56.303 -1.256 25125
5829 1 9 . 1 1 60 60 MET CB C 60 34.506 34.506 32.867 1.639 25125
5830 1 9 . 1 1 60 60 MET H H 60 7.968 7.968 7.994 -0.026 25125
5831 1 9 . 1 1 61 61 ASP N N 61 121.306 121.306 115.065 6.241 25125
5832 1 9 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.285 0.419 25125
5833 1 9 . 1 1 61 61 ASP C C 61 176.761 176.761 177.226 -0.465 25125
5834 1 9 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.248 -3.519 25125
5835 1 9 . 1 1 61 61 ASP CB C 61 41.069 41.069 39.794 1.275 25125
5836 1 9 . 1 1 61 61 ASP H H 61 8.379 8.379 8.487 -0.108 25125
5837 1 9 . 1 1 62 62 GLY N N 62 110.874 110.874 105.946 4.928 25125
5838 1 9 . 1 1 62 62 GLY C C 62 175.194 175.194 175.120 0.074 25125
5839 1 9 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.620 1.481 25125
5840 1 9 . 1 1 62 62 GLY H H 62 8.707 8.707 8.351 0.356 25125
5841 1 9 . 1 1 63 63 LEU N N 63 121.299 121.299 122.403 -1.104 25125
5842 1 9 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.282 -0.105 25125
5843 1 9 . 1 1 63 63 LEU C C 63 178.356 178.356 178.030 0.326 25125
5844 1 9 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.550 1.328 25125
5845 1 9 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.170 1.068 25125
5846 1 9 . 1 1 63 63 LEU H H 63 8.045 8.045 8.030 0.015 25125
5847 1 9 . 1 1 64 64 ALA N N 64 122.741 122.741 122.729 0.012 25125
5848 1 9 . 1 1 64 64 ALA HA H 64 4.062 4.062 3.995 0.067 25125
5849 1 9 . 1 1 64 64 ALA C C 64 180.556 180.556 179.078 1.478 25125
5850 1 9 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.123 -0.508 25125
5851 1 9 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.110 -0.110 25125
5852 1 9 . 1 1 64 64 ALA H H 64 7.859 7.859 8.196 -0.337 25125
5853 1 9 . 1 1 65 65 LEU N N 65 120.287 120.287 113.779 6.508 25125
5854 1 9 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.410 -0.348 25125
5855 1 9 . 1 1 65 65 LEU C C 65 178.191 178.191 178.770 -0.579 25125
5856 1 9 . 1 1 65 65 LEU CA C 65 58.019 58.019 57.045 0.974 25125
5857 1 9 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.863 -0.625 25125
5858 1 9 . 1 1 65 65 LEU H H 65 8.022 8.022 7.338 0.684 25125
5859 1 9 . 1 1 66 66 LEU N N 66 118.738 118.738 120.984 -2.246 25125
5860 1 9 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.010 -0.152 25125
5861 1 9 . 1 1 66 66 LEU C C 66 178.631 178.631 179.246 -0.615 25125
5862 1 9 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.983 0.363 25125
5863 1 9 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.575 0.663 25125
5864 1 9 . 1 1 66 66 LEU H H 66 8.101 8.101 7.630 0.471 25125
5865 1 9 . 1 1 67 67 LYS N N 67 117.842 117.842 115.885 1.957 25125
5866 1 9 . 1 1 67 67 LYS HA H 67 3.982 3.982 3.983 -0.001 25125
5867 1 9 . 1 1 67 67 LYS C C 67 179.263 179.263 179.483 -0.220 25125
5868 1 9 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.167 0.630 25125
5869 1 9 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.636 0.572 25125
5870 1 9 . 1 1 67 67 LYS H H 67 8.010 8.010 8.362 -0.352 25125
5871 1 9 . 1 1 68 68 GLN N N 68 118.875 118.875 118.659 0.216 25125
5872 1 9 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.270 -0.214 25125
5873 1 9 . 1 1 68 68 GLN C C 68 179.071 179.071 178.070 1.001 25125
5874 1 9 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.421 0.652 25125
5875 1 9 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.814 -0.204 25125
5876 1 9 . 1 1 68 68 GLN H H 68 7.809 7.809 7.918 -0.109 25125
5877 1 9 . 1 1 69 69 ILE N N 69 120.377 120.377 121.875 -1.498 25125
5878 1 9 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.838 -0.308 25125
5879 1 9 . 1 1 69 69 ILE C C 69 177.421 177.421 178.508 -1.087 25125
5880 1 9 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.419 0.459 25125
5881 1 9 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.690 -0.106 25125
5882 1 9 . 1 1 69 69 ILE H H 69 8.481 8.481 8.517 -0.036 25125
5883 1 9 . 1 1 70 70 LYS N N 70 117.873 117.873 119.681 -1.808 25125
5884 1 9 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.184 -0.224 25125
5885 1 9 . 1 1 70 70 LYS C C 70 178.053 178.053 178.238 -0.185 25125
5886 1 9 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.927 -1.839 25125
5887 1 9 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.455 -1.243 25125
5888 1 9 . 1 1 70 70 LYS H H 70 8.220 8.220 7.773 0.447 25125
5889 1 9 . 1 1 71 71 GLN N N 71 116.315 116.315 117.295 -0.980 25125
5890 1 9 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.100 -0.108 25125
5891 1 9 . 1 1 71 71 GLN C C 71 177.366 177.366 178.222 -0.856 25125
5892 1 9 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.587 -0.397 25125
5893 1 9 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.952 -0.287 25125
5894 1 9 . 1 1 71 71 GLN H H 71 7.601 7.601 7.634 -0.033 25125
5895 1 9 . 1 1 72 72 ARG N N 72 116.530 116.530 117.549 -1.019 25125
5896 1 9 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.132 -0.102 25125
5897 1 9 . 1 1 72 72 ARG C C 72 175.826 175.826 176.862 -1.036 25125
5898 1 9 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.689 -0.467 25125
5899 1 9 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.577 0.225 25125
5900 1 9 . 1 1 72 72 ARG H H 72 7.301 7.301 8.131 -0.830 25125
5901 1 9 . 1 1 73 73 HIS N N 73 116.755 116.755 116.655 0.100 25125
5902 1 9 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.015 -0.055 25125
5903 1 9 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.490 -0.273 25125
5904 1 9 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.223 0.339 25125
5905 1 9 . 1 1 73 73 HIS H H 73 8.331 8.331 7.761 0.570 25125
5906 1 9 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.408 0.091 25125
5907 1 9 . 1 1 74 74 PRO C C 74 178.466 178.466 177.326 1.140 25125
5908 1 9 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.139 -0.026 25125
5909 1 9 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.093 0.002 25125
5910 1 9 . 1 1 75 75 MET N N 75 114.814 114.814 113.507 1.307 25125
5911 1 9 . 1 1 75 75 MET HA H 75 4.567 4.567 4.564 0.003 25125
5912 1 9 . 1 1 75 75 MET C C 75 176.046 176.046 175.586 0.460 25125
5913 1 9 . 1 1 75 75 MET CA C 75 54.266 54.266 55.651 -1.385 25125
5914 1 9 . 1 1 75 75 MET CB C 75 31.288 31.288 32.180 -0.892 25125
5915 1 9 . 1 1 75 75 MET H H 75 8.623 8.623 7.835 0.788 25125
5916 1 9 . 1 1 76 76 LEU N N 76 125.533 125.533 123.189 2.344 25125
5917 1 9 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.725 -0.420 25125
5918 1 9 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.601 1.511 25125
5919 1 9 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.489 0.196 25125
5920 1 9 . 1 1 76 76 LEU H H 76 7.337 7.337 7.186 0.151 25125
5921 1 9 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.546 -0.100 25125
5922 1 9 . 1 1 77 77 PRO C C 77 174.974 174.974 175.009 -0.035 25125
5923 1 9 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.461 0.366 25125
5924 1 9 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.391 -0.669 25125
5925 1 9 . 1 1 78 78 VAL N N 78 123.779 123.779 120.093 3.686 25125
5926 1 9 . 1 1 78 78 VAL HA H 78 5.024 5.024 5.054 -0.030 25125
5927 1 9 . 1 1 78 78 VAL C C 78 175.441 175.441 175.790 -0.349 25125
5928 1 9 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.974 -0.781 25125
5929 1 9 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.613 -2.319 25125
5930 1 9 . 1 1 78 78 VAL H H 78 8.317 8.317 8.341 -0.024 25125
5931 1 9 . 1 1 79 79 ILE N N 79 128.334 128.334 124.367 3.967 25125
5932 1 9 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.779 -0.298 25125
5933 1 9 . 1 1 79 79 ILE C C 79 174.479 174.479 174.919 -0.440 25125
5934 1 9 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.987 -0.465 25125
5935 1 9 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.399 -1.436 25125
5936 1 9 . 1 1 79 79 ILE H H 79 9.292 9.292 8.913 0.379 25125
5937 1 9 . 1 1 80 80 ILE N N 80 127.023 127.023 123.917 3.106 25125
5938 1 9 . 1 1 80 80 ILE HA H 80 4.859 4.859 5.032 -0.173 25125
5939 1 9 . 1 1 80 80 ILE C C 80 175.029 175.029 175.219 -0.190 25125
5940 1 9 . 1 1 80 80 ILE CA C 80 58.157 58.157 58.910 -0.753 25125
5941 1 9 . 1 1 80 80 ILE CB C 80 37.944 37.944 40.228 -2.284 25125
5942 1 9 . 1 1 80 80 ILE H H 80 7.938 7.938 8.747 -0.809 25125
5943 1 9 . 1 1 81 81 MET N N 81 127.255 127.255 124.935 2.320 25125
5944 1 9 . 1 1 81 81 MET HA H 81 5.521 5.521 5.409 0.112 25125
5945 1 9 . 1 1 81 81 MET C C 81 174.534 174.534 175.475 -0.941 25125
5946 1 9 . 1 1 81 81 MET CA C 81 53.513 53.513 55.059 -1.546 25125
5947 1 9 . 1 1 81 81 MET CB C 81 35.483 35.483 35.455 0.028 25125
5948 1 9 . 1 1 81 81 MET H H 81 8.801 8.801 8.342 0.459 25125
5949 1 9 . 1 1 82 82 THR N N 82 112.857 112.857 116.392 -3.535 25125
5950 1 9 . 1 1 82 82 THR HA H 82 4.914 4.914 4.378 0.536 25125
5951 1 9 . 1 1 82 82 THR C C 82 172.581 172.581 173.204 -0.623 25125
5952 1 9 . 1 1 82 82 THR CA C 82 59.561 59.561 62.303 -2.742 25125
5953 1 9 . 1 1 82 82 THR CB C 82 69.989 69.989 69.799 0.190 25125
5954 1 9 . 1 1 82 82 THR H H 82 7.623 7.623 8.397 -0.774 25125
5955 1 9 . 1 1 83 83 ALA N N 83 129.541 129.541 122.267 7.274 25125
5956 1 9 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.941 0.767 25125
5957 1 9 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.468 -0.930 25125
5958 1 9 . 1 1 83 83 ALA CB C 83 19.147 19.147 18.002 1.145 25125
5959 1 9 . 1 1 83 83 ALA H H 83 9.149 9.149 7.502 1.647 25125
5960 1 9 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.183 0.089 25125
5961 1 9 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.848 3.852 25125
5962 1 9 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.852 1.167 25125
5963 1 9 . 1 1 85 85 SER N N 85 112.633 112.633 118.469 -5.836 25125
5964 1 9 . 1 1 85 85 SER HA H 85 4.198 4.198 4.092 0.106 25125
5965 1 9 . 1 1 85 85 SER C C 85 174.506 174.506 173.623 0.883 25125
5966 1 9 . 1 1 85 85 SER CA C 85 59.823 59.823 60.448 -0.625 25125
5967 1 9 . 1 1 85 85 SER CB C 85 62.693 62.693 62.585 0.108 25125
5968 1 9 . 1 1 85 85 SER H H 85 8.224 8.224 8.632 -0.408 25125
5969 1 9 . 1 1 86 86 ASP N N 86 120.886 120.886 124.660 -3.774 25125
5970 1 9 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.418 0.518 25125
5971 1 9 . 1 1 86 86 ASP C C 86 175.881 175.881 177.259 -1.378 25125
5972 1 9 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.096 -1.161 25125
5973 1 9 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.999 1.004 25125
5974 1 9 . 1 1 86 86 ASP H H 86 7.608 7.608 8.068 -0.460 25125
5975 1 9 . 1 1 87 87 LEU N N 87 121.913 121.913 122.234 -0.321 25125
5976 1 9 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.698 0.221 25125
5977 1 9 . 1 1 87 87 LEU C C 87 177.586 177.586 177.673 -0.087 25125
5978 1 9 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.077 -0.239 25125
5979 1 9 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.672 0.643 25125
5980 1 9 . 1 1 87 87 LEU H H 87 7.498 7.498 7.658 -0.160 25125
5981 1 9 . 1 1 88 88 ASP N N 88 117.621 117.621 117.223 0.398 25125
5982 1 9 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.275 -0.003 25125
5983 1 9 . 1 1 88 88 ASP C C 88 178.246 178.246 177.583 0.663 25125
5984 1 9 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.231 -0.421 25125
5985 1 9 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.572 -0.438 25125
5986 1 9 . 1 1 88 88 ASP H H 88 8.322 8.322 8.638 -0.316 25125
5987 1 9 . 1 1 89 89 ALA N N 89 122.874 122.874 120.335 2.539 25125
5988 1 9 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.335 -0.241 25125
5989 1 9 . 1 1 89 89 ALA C C 89 179.346 179.346 178.832 0.514 25125
5990 1 9 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.374 -0.221 25125
5991 1 9 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.786 -0.525 25125
5992 1 9 . 1 1 89 89 ALA H H 89 7.838 7.838 7.590 0.248 25125
5993 1 9 . 1 1 90 90 ALA N N 90 121.673 121.673 121.529 0.144 25125
5994 1 9 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.352 -0.419 25125
5995 1 9 . 1 1 90 90 ALA C C 90 178.686 178.686 180.100 -1.414 25125
5996 1 9 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.073 0.590 25125
5997 1 9 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.307 0.075 25125
5998 1 9 . 1 1 90 90 ALA H H 90 7.896 7.896 7.414 0.482 25125
5999 1 9 . 1 1 91 91 VAL N N 91 117.749 117.749 119.520 -1.771 25125
6000 1 9 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.010 -0.398 25125
6001 1 9 . 1 1 91 91 VAL C C 91 178.411 178.411 177.365 1.046 25125
6002 1 9 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.301 -1.120 25125
6003 1 9 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.795 -0.158 25125
6004 1 9 . 1 1 91 91 VAL H H 91 8.098 8.098 8.632 -0.534 25125
6005 1 9 . 1 1 92 92 SER N N 92 114.942 114.942 113.940 1.002 25125
6006 1 9 . 1 1 92 92 SER HA H 92 4.231 4.231 4.423 -0.192 25125
6007 1 9 . 1 1 92 92 SER C C 92 175.826 175.826 175.147 0.679 25125
6008 1 9 . 1 1 92 92 SER CA C 92 60.649 60.649 60.129 0.520 25125
6009 1 9 . 1 1 92 92 SER CB C 92 63.063 63.063 64.320 -1.256 25125
6010 1 9 . 1 1 92 92 SER H H 92 7.825 7.825 8.068 -0.243 25125
6011 1 9 . 1 1 93 93 ALA N N 93 122.580 122.580 122.962 -0.382 25125
6012 1 9 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.214 -0.157 25125
6013 1 9 . 1 1 93 93 ALA C C 93 178.906 178.906 179.805 -0.899 25125
6014 1 9 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.481 -0.164 25125
6015 1 9 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.630 -0.333 25125
6016 1 9 . 1 1 93 93 ALA H H 93 7.861 7.861 7.529 0.332 25125
6017 1 9 . 1 1 94 94 TYR N N 94 118.447 118.447 120.600 -2.153 25125
6018 1 9 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.303 0.189 25125
6019 1 9 . 1 1 94 94 TYR C C 94 177.393 177.393 177.411 -0.018 25125
6020 1 9 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.833 -0.582 25125
6021 1 9 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.428 0.006 25125
6022 1 9 . 1 1 94 94 TYR H H 94 8.150 8.150 7.904 0.246 25125
6023 1 9 . 1 1 95 95 GLN N N 95 119.787 119.787 116.202 3.585 25125
6024 1 9 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.071 -0.028 25125
6025 1 9 . 1 1 95 95 GLN C C 95 176.981 176.981 176.691 0.290 25125
6026 1 9 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.976 0.490 25125
6027 1 9 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.733 0.356 25125
6028 1 9 . 1 1 95 95 GLN H H 95 8.271 8.271 8.088 0.183 25125
6029 1 9 . 1 1 96 96 GLN N N 96 117.878 117.878 118.022 -0.144 25125
6030 1 9 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.234 0.111 25125
6031 1 9 . 1 1 96 96 GLN C C 96 175.854 175.854 176.614 -0.760 25125
6032 1 9 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.250 -0.079 25125
6033 1 9 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.238 0.237 25125
6034 1 9 . 1 1 96 96 GLN H H 96 7.944 7.944 7.708 0.236 25125
6035 1 9 . 1 1 97 97 GLY N N 97 106.670 106.670 105.714 0.956 25125
6036 1 9 . 1 1 97 97 GLY C C 97 174.231 174.231 173.207 1.024 25125
6037 1 9 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.746 0.740 25125
6038 1 9 . 1 1 97 97 GLY H H 97 7.949 7.949 7.758 0.191 25125
6039 1 9 . 1 1 98 98 ALA N N 98 122.898 122.898 121.094 1.804 25125
6040 1 9 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.404 -0.029 25125
6041 1 9 . 1 1 98 98 ALA C C 98 175.991 175.991 175.671 0.320 25125
6042 1 9 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.156 2.012 25125
6043 1 9 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.245 -1.276 25125
6044 1 9 . 1 1 98 98 ALA H H 98 7.808 7.808 7.183 0.625 25125
6045 1 9 . 1 1 99 99 PHE N N 99 123.484 123.484 118.497 4.987 25125
6046 1 9 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.487 -0.137 25125
6047 1 9 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.397 2.059 25125
6048 1 9 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.361 -0.921 25125
6049 1 9 . 1 1 99 99 PHE H H 99 7.704 7.704 8.246 -0.542 25125
6050 1 9 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.919 0.585 25125
6051 1 9 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.145 -1.663 25125
6052 1 9 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.252 3.948 25125
6053 1 9 . 1 1 101 101 TYR N N 101 118.148 118.148 121.609 -3.461 25125
6054 1 9 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.475 0.973 25125
6055 1 9 . 1 1 101 101 TYR C C 101 173.159 173.159 174.404 -1.245 25125
6056 1 9 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.979 -0.992 25125
6057 1 9 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.005 2.893 25125
6058 1 9 . 1 1 101 101 TYR H H 101 9.546 9.546 7.357 2.189 25125
6059 1 9 . 1 1 102 102 LEU N N 102 124.100 124.100 119.099 5.001 25125
6060 1 9 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.089 -0.369 25125
6061 1 9 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.972 -1.473 25125
6062 1 9 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.699 -0.638 25125
6063 1 9 . 1 1 102 102 LEU H H 102 8.901 8.901 8.863 0.038 25125
6064 1 9 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.486 0.407 25125
6065 1 9 . 1 1 103 103 PRO C C 103 175.524 175.524 175.542 -0.018 25125
6066 1 9 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.575 -0.690 25125
6067 1 9 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.372 -0.565 25125
6068 1 9 . 1 1 104 104 LYS N N 104 118.848 118.848 121.348 -2.500 25125
6069 1 9 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.911 -0.398 25125
6070 1 9 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.310 -0.092 25125
6071 1 9 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.526 2.218 25125
6072 1 9 . 1 1 104 104 LYS H H 104 8.279 8.279 8.284 -0.005 25125
6073 1 9 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.365 -0.066 25125
6074 1 9 . 1 1 105 105 PRO C C 105 175.001 175.001 175.525 -0.524 25125
6075 1 9 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.623 -0.229 25125
6076 1 9 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.093 2.002 25125
6077 1 9 . 1 1 106 106 PHE N N 106 116.607 116.607 115.351 1.256 25125
6078 1 9 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.758 0.412 25125
6079 1 9 . 1 1 106 106 PHE C C 106 175.221 175.221 174.281 0.940 25125
6080 1 9 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.213 -2.778 25125
6081 1 9 . 1 1 106 106 PHE CB C 106 40.400 40.400 39.905 0.495 25125
6082 1 9 . 1 1 106 106 PHE H H 106 7.457 7.457 7.396 0.061 25125
6083 1 9 . 1 1 107 107 ASP N N 107 122.214 122.214 122.219 -0.005 25125
6084 1 9 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.010 -0.178 25125
6085 1 9 . 1 1 107 107 ASP C C 107 177.778 177.778 177.320 0.458 25125
6086 1 9 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.431 -0.189 25125
6087 1 9 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.238 1.359 25125
6088 1 9 . 1 1 107 107 ASP H H 107 9.022 9.022 8.555 0.467 25125
6089 1 9 . 1 1 108 108 ILE N N 108 127.706 127.706 125.472 2.234 25125
6090 1 9 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.743 0.222 25125
6091 1 9 . 1 1 108 108 ILE C C 108 176.046 176.046 177.456 -1.410 25125
6092 1 9 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.746 -1.757 25125
6093 1 9 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.105 -0.351 25125
6094 1 9 . 1 1 108 108 ILE H H 108 8.860 8.860 8.705 0.155 25125
6095 1 9 . 1 1 109 109 ASP N N 109 120.058 120.058 119.239 0.819 25125
6096 1 9 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.365 0.023 25125
6097 1 9 . 1 1 109 109 ASP C C 109 179.786 179.786 178.808 0.978 25125
6098 1 9 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.620 -0.126 25125
6099 1 9 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.490 -0.436 25125
6100 1 9 . 1 1 109 109 ASP H H 109 8.079 8.079 8.613 -0.534 25125
6101 1 9 . 1 1 110 110 GLU N N 110 121.559 121.559 119.307 2.252 25125
6102 1 9 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.219 -0.151 25125
6103 1 9 . 1 1 110 110 GLU C C 110 179.043 179.043 178.504 0.539 25125
6104 1 9 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.502 0.324 25125
6105 1 9 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.905 -0.562 25125
6106 1 9 . 1 1 110 110 GLU H H 110 8.012 8.012 7.990 0.022 25125
6107 1 9 . 1 1 111 111 ALA N N 111 122.267 122.267 123.354 -1.087 25125
6108 1 9 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.022 -0.268 25125
6109 1 9 . 1 1 111 111 ALA C C 111 178.493 178.493 179.386 -0.893 25125
6110 1 9 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.209 -0.037 25125
6111 1 9 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.274 0.108 25125
6112 1 9 . 1 1 111 111 ALA H H 111 7.897 7.897 8.151 -0.254 25125
6113 1 9 . 1 1 112 112 VAL N N 112 116.527 116.527 118.181 -1.654 25125
6114 1 9 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.489 -0.322 25125
6115 1 9 . 1 1 112 112 VAL C C 112 177.201 177.201 177.775 -0.574 25125
6116 1 9 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.617 0.528 25125
6117 1 9 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.663 -0.111 25125
6118 1 9 . 1 1 112 112 VAL H H 112 8.018 8.018 8.413 -0.395 25125
6119 1 9 . 1 1 113 113 ALA N N 113 119.895 119.895 120.923 -1.028 25125
6120 1 9 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.206 -0.068 25125
6121 1 9 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.389 0.443 25125
6122 1 9 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.546 -0.674 25125
6123 1 9 . 1 1 113 113 ALA H H 113 7.673 7.673 7.438 0.235 25125
6124 1 9 . 1 1 114 114 LEU N N 114 120.650 120.650 120.761 -0.111 25125
6125 1 9 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.157 -0.074 25125
6126 1 9 . 1 1 114 114 LEU C C 114 178.466 178.466 178.402 0.064 25125
6127 1 9 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.733 0.287 25125
6128 1 9 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.105 -0.272 25125
6129 1 9 . 1 1 114 114 LEU H H 114 7.840 7.840 7.641 0.199 25125
6130 1 9 . 1 1 115 115 VAL N N 115 119.480 119.480 118.455 1.025 25125
6131 1 9 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.475 -0.263 25125
6132 1 9 . 1 1 115 115 VAL C C 115 177.448 177.448 177.045 0.403 25125
6133 1 9 . 1 1 115 115 VAL CA C 115 67.201 67.201 64.980 2.221 25125
6134 1 9 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.482 -0.810 25125
6135 1 9 . 1 1 115 115 VAL H H 115 7.824 7.824 7.839 -0.015 25125
6136 1 9 . 1 1 116 116 GLU N N 116 117.473 117.473 119.854 -2.381 25125
6137 1 9 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.889 -0.100 25125
6138 1 9 . 1 1 116 116 GLU C C 116 179.566 179.566 178.947 0.619 25125
6139 1 9 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.834 0.096 25125
6140 1 9 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.211 -0.115 25125
6141 1 9 . 1 1 116 116 GLU H H 116 8.465 8.465 7.593 0.872 25125
6142 1 9 . 1 1 117 117 ARG N N 117 120.128 120.128 118.137 1.991 25125
6143 1 9 . 1 1 117 117 ARG HA H 117 4.064 4.064 3.975 0.089 25125
6144 1 9 . 1 1 117 117 ARG C C 117 178.438 178.438 178.267 0.171 25125
6145 1 9 . 1 1 117 117 ARG CA C 117 59.278 59.278 59.604 -0.326 25125
6146 1 9 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.826 0.451 25125
6147 1 9 . 1 1 117 117 ARG H H 117 8.012 8.012 7.623 0.389 25125
6148 1 9 . 1 1 118 118 ALA N N 118 122.270 122.270 121.237 1.033 25125
6149 1 9 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.818 -0.362 25125
6150 1 9 . 1 1 118 118 ALA C C 118 178.741 178.741 179.089 -0.348 25125
6151 1 9 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.483 0.095 25125
6152 1 9 . 1 1 118 118 ALA CB C 118 18.158 18.158 17.931 0.227 25125
6153 1 9 . 1 1 118 118 ALA H H 118 7.958 7.958 7.345 0.613 25125
6154 1 9 . 1 1 119 119 ILE N N 119 115.269 115.269 116.824 -1.555 25125
6155 1 9 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.900 -0.172 25125
6156 1 9 . 1 1 119 119 ILE C C 119 177.366 177.366 178.248 -0.882 25125
6157 1 9 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.516 -0.847 25125
6158 1 9 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.319 -0.521 25125
6159 1 9 . 1 1 119 119 ILE H H 119 7.753 7.753 7.508 0.245 25125
6160 1 9 . 1 1 120 120 SER N N 120 115.135 115.135 115.953 -0.818 25125
6161 1 9 . 1 1 120 120 SER HA H 120 4.275 4.275 4.108 0.167 25125
6162 1 9 . 1 1 120 120 SER C C 120 175.084 175.084 176.181 -1.097 25125
6163 1 9 . 1 1 120 120 SER CA C 120 59.816 59.816 61.084 -1.268 25125
6164 1 9 . 1 1 120 120 SER CB C 120 63.380 63.380 62.960 0.420 25125
6165 1 9 . 1 1 120 120 SER H H 120 7.816 7.816 8.220 -0.404 25125
6166 1 9 . 1 1 121 121 HIS N N 121 119.908 119.908 120.250 -0.342 25125
6167 1 9 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.163 0.259 25125
6168 1 9 . 1 1 121 121 HIS C C 121 175.029 175.029 176.587 -1.558 25125
6169 1 9 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.973 -1.737 25125
6170 1 9 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.949 -0.521 25125
6171 1 9 . 1 1 121 121 HIS H H 121 7.910 7.910 7.949 -0.039 25125
6172 1 9 . 1 1 122 122 TYR N N 122 118.880 118.880 116.351 2.529 25125
6173 1 9 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.649 -0.223 25125
6174 1 9 . 1 1 122 122 TYR C C 122 175.276 175.276 176.137 -0.861 25125
6175 1 9 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.515 -0.066 25125
6176 1 9 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.364 -0.760 25125
6177 1 9 . 1 1 122 122 TYR H H 122 7.766 7.766 7.563 0.203 25125
6178 1 9 . 1 1 123 123 GLN N N 123 121.479 121.479 117.914 3.565 25125
6179 1 9 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.507 -0.237 25125
6180 1 9 . 1 1 123 123 GLN C C 123 174.534 174.534 175.120 -0.586 25125
6181 1 9 . 1 1 123 123 GLN CA C 123 55.512 55.512 54.975 0.537 25125
6182 1 9 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.983 0.785 25125
6183 1 9 . 1 1 123 123 GLN H H 123 7.878 7.878 7.522 0.356 25125
6184 1 10 . 1 1 2 2 GLN HA H 2 4.433 4.433 3.849 0.584 25125
6185 1 10 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.432 -0.868 25125
6186 1 10 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.790 2.811 25125
6187 1 10 . 1 1 3 3 ARG N N 3 121.252 121.252 117.102 4.150 25125
6188 1 10 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.080 0.285 25125
6189 1 10 . 1 1 3 3 ARG C C 3 175.634 175.634 175.907 -0.273 25125
6190 1 10 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.965 -0.974 25125
6191 1 10 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.101 1.196 25125
6192 1 10 . 1 1 3 3 ARG H H 3 8.429 8.429 8.165 0.264 25125
6193 1 10 . 1 1 4 4 GLY N N 4 107.663 107.663 107.736 -0.073 25125
6194 1 10 . 1 1 4 4 GLY C C 4 171.041 171.041 173.235 -2.194 25125
6195 1 10 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.510 0.806 25125
6196 1 10 . 1 1 4 4 GLY H H 4 7.963 7.963 7.639 0.324 25125
6197 1 10 . 1 1 5 5 ILE N N 5 122.603 122.603 124.357 -1.754 25125
6198 1 10 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.021 0.678 25125
6199 1 10 . 1 1 5 5 ILE C C 5 175.359 175.359 174.782 0.577 25125
6200 1 10 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.426 -0.816 25125
6201 1 10 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.308 0.268 25125
6202 1 10 . 1 1 5 5 ILE H H 5 9.610 9.610 8.276 1.334 25125
6203 1 10 . 1 1 6 6 VAL N N 6 127.905 127.905 125.334 2.571 25125
6204 1 10 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.860 -0.048 25125
6205 1 10 . 1 1 6 6 VAL C C 6 174.204 174.204 175.288 -1.084 25125
6206 1 10 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.439 -0.880 25125
6207 1 10 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.346 1.180 25125
6208 1 10 . 1 1 6 6 VAL H H 6 9.090 9.090 7.933 1.157 25125
6209 1 10 . 1 1 7 7 TRP N N 7 127.467 127.467 127.626 -0.159 25125
6210 1 10 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.355 1.099 25125
6211 1 10 . 1 1 7 7 TRP C C 7 175.056 175.056 175.056 0.000 25125
6212 1 10 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.248 -1.370 25125
6213 1 10 . 1 1 7 7 TRP CB C 7 33.134 33.134 33.054 0.080 25125
6214 1 10 . 1 1 7 7 TRP H H 7 8.497 8.497 8.802 -0.305 25125
6215 1 10 . 1 1 8 8 VAL N N 8 122.068 122.068 118.812 3.256 25125
6216 1 10 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.621 0.465 25125
6217 1 10 . 1 1 8 8 VAL C C 8 173.874 173.874 174.293 -0.419 25125
6218 1 10 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.963 -0.477 25125
6219 1 10 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.213 -0.498 25125
6220 1 10 . 1 1 8 8 VAL H H 8 8.583 8.583 9.448 -0.865 25125
6221 1 10 . 1 1 9 9 VAL N N 9 127.733 127.733 125.665 2.068 25125
6222 1 10 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.612 0.348 25125
6223 1 10 . 1 1 9 9 VAL C C 9 173.131 173.131 173.959 -0.828 25125
6224 1 10 . 1 1 9 9 VAL CA C 9 59.675 59.675 59.986 -0.311 25125
6225 1 10 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.106 0.805 25125
6226 1 10 . 1 1 9 9 VAL H H 9 9.107 9.107 8.386 0.721 25125
6227 1 10 . 1 1 10 10 ASP N N 10 124.306 124.306 123.453 0.853 25125
6228 1 10 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.811 -0.242 25125
6229 1 10 . 1 1 10 10 ASP C C 10 175.029 175.029 174.591 0.438 25125
6230 1 10 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.538 2.209 25125
6231 1 10 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.705 0.405 25125
6232 1 10 . 1 1 10 10 ASP H H 10 7.775 7.775 7.860 -0.085 25125
6233 1 10 . 1 1 11 11 ASP N N 11 126.714 126.714 118.226 8.488 25125
6234 1 10 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.995 -0.460 25125
6235 1 10 . 1 1 11 11 ASP C C 11 175.689 175.689 174.711 0.978 25125
6236 1 10 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.057 2.661 25125
6237 1 10 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.742 0.333 25125
6238 1 10 . 1 1 11 11 ASP H H 11 9.033 9.033 8.614 0.419 25125
6239 1 10 . 1 1 12 12 ASP N N 12 121.877 121.877 119.457 2.420 25125
6240 1 10 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.969 -0.323 25125
6241 1 10 . 1 1 12 12 ASP C C 12 177.036 177.036 176.524 0.512 25125
6242 1 10 . 1 1 12 12 ASP CA C 12 53.303 53.303 52.940 0.363 25125
6243 1 10 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.343 -3.179 25125
6244 1 10 . 1 1 12 12 ASP H H 12 9.570 9.570 7.762 1.808 25125
6245 1 10 . 1 1 13 13 SER N N 13 123.799 123.799 118.648 5.151 25125
6246 1 10 . 1 1 13 13 SER HA H 13 3.761 3.761 4.327 -0.566 25125
6247 1 10 . 1 1 13 13 SER C C 13 176.156 176.156 176.197 -0.041 25125
6248 1 10 . 1 1 13 13 SER CA C 13 61.186 61.186 62.408 -1.222 25125
6249 1 10 . 1 1 13 13 SER CB C 13 62.749 62.749 63.459 -0.710 25125
6250 1 10 . 1 1 13 13 SER H H 13 8.850 8.850 8.732 0.118 25125
6251 1 10 . 1 1 14 14 SER N N 14 119.123 119.123 116.960 2.163 25125
6252 1 10 . 1 1 14 14 SER HA H 14 4.361 4.361 4.490 -0.129 25125
6253 1 10 . 1 1 14 14 SER C C 14 176.404 176.404 176.891 -0.487 25125
6254 1 10 . 1 1 14 14 SER CA C 14 61.730 61.730 60.914 0.816 25125
6255 1 10 . 1 1 14 14 SER CB C 14 62.548 62.548 62.952 -0.404 25125
6256 1 10 . 1 1 14 14 SER H H 14 8.531 8.531 8.382 0.149 25125
6257 1 10 . 1 1 15 15 ILE N N 15 123.637 123.637 122.429 1.208 25125
6258 1 10 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.019 -0.074 25125
6259 1 10 . 1 1 15 15 ILE C C 15 177.861 177.861 177.616 0.245 25125
6260 1 10 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.900 -1.700 25125
6261 1 10 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.124 -1.238 25125
6262 1 10 . 1 1 15 15 ILE H H 15 7.206 7.206 8.115 -0.909 25125
6263 1 10 . 1 1 16 16 ARG N N 16 116.694 116.694 120.154 -3.460 25125
6264 1 10 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.251 -0.528 25125
6265 1 10 . 1 1 16 16 ARG C C 16 177.448 177.448 178.348 -0.900 25125
6266 1 10 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.931 2.642 25125
6267 1 10 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.660 0.787 25125
6268 1 10 . 1 1 16 16 ARG H H 16 7.562 7.562 7.681 -0.119 25125
6269 1 10 . 1 1 17 17 TRP N N 17 116.848 116.848 123.072 -6.224 25125
6270 1 10 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.368 0.103 25125
6271 1 10 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.127 -0.687 25125
6272 1 10 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.628 -0.337 25125
6273 1 10 . 1 1 17 17 TRP H H 17 8.005 8.005 8.521 -0.516 25125
6274 1 10 . 1 1 18 18 VAL N N 18 116.964 116.964 115.641 1.323 25125
6275 1 10 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.715 0.960 25125
6276 1 10 . 1 1 18 18 VAL C C 18 179.181 179.181 177.794 1.387 25125
6277 1 10 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.410 0.298 25125
6278 1 10 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.095 0.542 25125
6279 1 10 . 1 1 18 18 VAL H H 18 8.110 8.110 7.540 0.570 25125
6280 1 10 . 1 1 19 19 LEU N N 19 120.186 120.186 117.648 2.538 25125
6281 1 10 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.148 -0.073 25125
6282 1 10 . 1 1 19 19 LEU C C 19 177.778 177.778 178.977 -1.199 25125
6283 1 10 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.862 0.960 25125
6284 1 10 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.559 0.222 25125
6285 1 10 . 1 1 19 19 LEU H H 19 8.073 8.073 7.631 0.442 25125
6286 1 10 . 1 1 20 20 GLU N N 20 120.193 120.193 120.173 0.020 25125
6287 1 10 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.010 -0.069 25125
6288 1 10 . 1 1 20 20 GLU C C 20 178.603 178.603 178.477 0.126 25125
6289 1 10 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.322 1.288 25125
6290 1 10 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.866 -0.778 25125
6291 1 10 . 1 1 20 20 GLU H H 20 8.387 8.387 7.997 0.390 25125
6292 1 10 . 1 1 21 21 ARG N N 21 116.076 116.076 118.266 -2.190 25125
6293 1 10 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.940 -0.047 25125
6294 1 10 . 1 1 21 21 ARG C C 21 179.676 179.676 178.379 1.297 25125
6295 1 10 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.941 -0.492 25125
6296 1 10 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.298 0.555 25125
6297 1 10 . 1 1 21 21 ARG H H 21 7.602 7.602 8.410 -0.808 25125
6298 1 10 . 1 1 22 22 ALA N N 22 122.405 122.405 122.257 0.148 25125
6299 1 10 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.096 0.001 25125
6300 1 10 . 1 1 22 22 ALA C C 22 180.501 180.501 178.870 1.631 25125
6301 1 10 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.344 0.234 25125
6302 1 10 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.335 0.897 25125
6303 1 10 . 1 1 22 22 ALA H H 22 7.992 7.992 7.617 0.375 25125
6304 1 10 . 1 1 23 23 LEU N N 23 118.026 118.026 118.334 -0.308 25125
6305 1 10 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.238 -0.237 25125
6306 1 10 . 1 1 23 23 LEU C C 23 178.878 178.878 179.132 -0.254 25125
6307 1 10 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.649 1.072 25125
6308 1 10 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.200 -2.545 25125
6309 1 10 . 1 1 23 23 LEU H H 23 8.825 8.825 7.579 1.246 25125
6310 1 10 . 1 1 24 24 ALA N N 24 122.159 122.159 122.475 -0.316 25125
6311 1 10 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.982 0.651 25125
6312 1 10 . 1 1 24 24 ALA C C 24 183.141 183.141 179.445 3.696 25125
6313 1 10 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.885 -0.137 25125
6314 1 10 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.424 -0.722 25125
6315 1 10 . 1 1 24 24 ALA H H 24 8.125 8.125 8.188 -0.063 25125
6316 1 10 . 1 1 25 25 GLY N N 25 106.891 106.891 103.826 3.065 25125
6317 1 10 . 1 1 25 25 GLY C C 25 174.286 174.286 174.574 -0.288 25125
6318 1 10 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.149 1.272 25125
6319 1 10 . 1 1 25 25 GLY H H 25 7.870 7.870 7.808 0.062 25125
6320 1 10 . 1 1 26 26 ALA N N 26 121.819 121.819 122.962 -1.143 25125
6321 1 10 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.511 -0.012 25125
6322 1 10 . 1 1 26 26 ALA C C 26 176.953 176.953 177.676 -0.723 25125
6323 1 10 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.867 -0.347 25125
6324 1 10 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.906 -1.184 25125
6325 1 10 . 1 1 26 26 ALA H H 26 7.285 7.285 7.639 -0.354 25125
6326 1 10 . 1 1 27 27 GLY N N 27 106.197 106.197 107.218 -1.021 25125
6327 1 10 . 1 1 27 27 GLY C C 27 173.956 173.956 173.818 0.138 25125
6328 1 10 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.024 0.292 25125
6329 1 10 . 1 1 27 27 GLY H H 27 7.824 7.824 8.030 -0.206 25125
6330 1 10 . 1 1 28 28 LEU N N 28 120.291 120.291 118.443 1.848 25125
6331 1 10 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.693 -0.118 25125
6332 1 10 . 1 1 28 28 LEU C C 28 175.881 175.881 176.186 -0.305 25125
6333 1 10 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.854 0.789 25125
6334 1 10 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.203 -1.718 25125
6335 1 10 . 1 1 28 28 LEU H H 28 7.678 7.678 7.618 0.060 25125
6336 1 10 . 1 1 29 29 THR N N 29 118.040 118.040 116.626 1.414 25125
6337 1 10 . 1 1 29 29 THR HA H 29 4.335 4.335 4.156 0.179 25125
6338 1 10 . 1 1 29 29 THR C C 29 173.186 173.186 174.063 -0.877 25125
6339 1 10 . 1 1 29 29 THR CA C 29 62.479 62.479 64.017 -1.538 25125
6340 1 10 . 1 1 29 29 THR CB C 29 69.465 69.465 69.374 0.091 25125
6341 1 10 . 1 1 29 29 THR H H 29 8.527 8.527 8.403 0.124 25125
6342 1 10 . 1 1 30 30 CYS N N 30 128.387 128.387 120.753 7.634 25125
6343 1 10 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.229 0.714 25125
6344 1 10 . 1 1 30 30 CYS C C 30 173.846 173.846 174.108 -0.262 25125
6345 1 10 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.566 -0.205 25125
6346 1 10 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.605 -1.125 25125
6347 1 10 . 1 1 30 30 CYS H H 30 8.968 8.968 8.337 0.631 25125
6348 1 10 . 1 1 31 31 THR N N 31 126.481 126.481 123.958 2.523 25125
6349 1 10 . 1 1 31 31 THR HA H 31 4.433 4.433 4.366 0.067 25125
6350 1 10 . 1 1 31 31 THR C C 31 172.609 172.609 173.276 -0.667 25125
6351 1 10 . 1 1 31 31 THR CA C 31 61.951 61.951 61.361 0.590 25125
6352 1 10 . 1 1 31 31 THR CB C 31 70.567 70.567 69.888 0.679 25125
6353 1 10 . 1 1 31 31 THR H H 31 8.614 8.614 8.444 0.170 25125
6354 1 10 . 1 1 32 32 THR N N 32 116.418 116.418 117.961 -1.543 25125
6355 1 10 . 1 1 32 32 THR HA H 32 5.330 5.330 4.766 0.564 25125
6356 1 10 . 1 1 32 32 THR C C 32 172.306 172.306 172.865 -0.559 25125
6357 1 10 . 1 1 32 32 THR CA C 32 59.173 59.173 60.384 -1.211 25125
6358 1 10 . 1 1 32 32 THR CB C 32 70.917 70.917 69.661 1.256 25125
6359 1 10 . 1 1 32 32 THR H H 32 8.299 8.299 8.089 0.210 25125
6360 1 10 . 1 1 33 33 PHE N N 33 118.067 118.067 122.804 -4.737 25125
6361 1 10 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.616 0.027 25125
6362 1 10 . 1 1 33 33 PHE C C 33 174.341 174.341 174.292 0.049 25125
6363 1 10 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.500 0.032 25125
6364 1 10 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.292 1.017 25125
6365 1 10 . 1 1 33 33 PHE H H 33 8.890 8.890 8.491 0.399 25125
6366 1 10 . 1 1 34 34 GLU N N 34 118.499 118.499 116.051 2.448 25125
6367 1 10 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.804 -0.450 25125
6368 1 10 . 1 1 34 34 GLU C C 34 175.414 175.414 174.803 0.611 25125
6369 1 10 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.121 0.571 25125
6370 1 10 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.297 1.170 25125
6371 1 10 . 1 1 34 34 GLU H H 34 9.023 9.023 8.631 0.392 25125
6372 1 10 . 1 1 35 35 ASN N N 35 109.907 109.907 117.849 -7.942 25125
6373 1 10 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.715 0.066 25125
6374 1 10 . 1 1 35 35 ASN C C 35 175.139 175.139 175.136 0.003 25125
6375 1 10 . 1 1 35 35 ASN CA C 35 52.146 52.146 54.348 -2.202 25125
6376 1 10 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.043 2.280 25125
6377 1 10 . 1 1 35 35 ASN H H 35 7.401 7.401 8.197 -0.796 25125
6378 1 10 . 1 1 36 36 GLY N N 36 106.739 106.739 108.221 -1.482 25125
6379 1 10 . 1 1 36 36 GLY C C 36 174.616 174.616 174.965 -0.349 25125
6380 1 10 . 1 1 36 36 GLY CA C 36 47.016 47.016 45.676 1.340 25125
6381 1 10 . 1 1 36 36 GLY H H 36 8.877 8.877 8.480 0.397 25125
6382 1 10 . 1 1 37 37 ASN N N 37 120.462 120.462 119.634 0.828 25125
6383 1 10 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.351 0.011 25125
6384 1 10 . 1 1 37 37 ASN C C 37 178.686 178.686 176.828 1.858 25125
6385 1 10 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.593 0.939 25125
6386 1 10 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.193 -0.609 25125
6387 1 10 . 1 1 37 37 ASN H H 37 8.366 8.366 8.359 0.007 25125
6388 1 10 . 1 1 38 38 GLU N N 38 119.360 119.360 117.233 2.127 25125
6389 1 10 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.170 -0.100 25125
6390 1 10 . 1 1 38 38 GLU C C 38 179.263 179.263 177.227 2.036 25125
6391 1 10 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.811 0.821 25125
6392 1 10 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.374 1.158 25125
6393 1 10 . 1 1 38 38 GLU H H 38 7.990 7.990 8.626 -0.636 25125
6394 1 10 . 1 1 39 39 VAL N N 39 119.259 119.259 118.826 0.433 25125
6395 1 10 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.199 -0.431 25125
6396 1 10 . 1 1 39 39 VAL C C 39 176.431 176.431 177.519 -1.088 25125
6397 1 10 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.762 0.181 25125
6398 1 10 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.947 -0.872 25125
6399 1 10 . 1 1 39 39 VAL H H 39 6.883 6.883 7.729 -0.846 25125
6400 1 10 . 1 1 40 40 LEU N N 40 119.627 119.627 121.243 -1.616 25125
6401 1 10 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.013 -0.086 25125
6402 1 10 . 1 1 40 40 LEU C C 40 179.538 179.538 177.982 1.556 25125
6403 1 10 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.137 -0.197 25125
6404 1 10 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.341 -0.273 25125
6405 1 10 . 1 1 40 40 LEU H H 40 7.692 7.692 7.775 -0.083 25125
6406 1 10 . 1 1 41 41 ALA N N 41 120.051 120.051 119.714 0.337 25125
6407 1 10 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.136 0.004 25125
6408 1 10 . 1 1 41 41 ALA C C 41 180.528 180.528 179.218 1.310 25125
6409 1 10 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.468 0.182 25125
6410 1 10 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.988 -0.121 25125
6411 1 10 . 1 1 41 41 ALA H H 41 7.553 7.553 7.840 -0.287 25125
6412 1 10 . 1 1 42 42 ALA N N 42 122.731 122.731 122.071 0.660 25125
6413 1 10 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.174 0.025 25125
6414 1 10 . 1 1 42 42 ALA C C 42 180.198 180.198 180.438 -0.240 25125
6415 1 10 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.546 0.486 25125
6416 1 10 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.309 1.090 25125
6417 1 10 . 1 1 42 42 ALA H H 42 7.604 7.604 7.189 0.415 25125
6418 1 10 . 1 1 43 43 LEU N N 43 119.131 119.131 118.444 0.687 25125
6419 1 10 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.983 1.223 25125
6420 1 10 . 1 1 43 43 LEU C C 43 177.421 177.421 178.873 -1.452 25125
6421 1 10 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.497 -1.952 25125
6422 1 10 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.062 1.542 25125
6423 1 10 . 1 1 43 43 LEU H H 43 8.288 8.288 8.102 0.186 25125
6424 1 10 . 1 1 44 44 ALA N N 44 119.065 119.065 119.299 -0.234 25125
6425 1 10 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.213 0.016 25125
6426 1 10 . 1 1 44 44 ALA C C 44 178.686 178.686 178.635 0.051 25125
6427 1 10 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.752 0.486 25125
6428 1 10 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.496 0.020 25125
6429 1 10 . 1 1 44 44 ALA H H 44 7.302 7.302 7.787 -0.485 25125
6430 1 10 . 1 1 45 45 SER N N 45 108.656 108.656 115.729 -7.073 25125
6431 1 10 . 1 1 45 45 SER HA H 45 4.742 4.742 4.393 0.349 25125
6432 1 10 . 1 1 45 45 SER C C 45 173.296 173.296 176.341 -3.045 25125
6433 1 10 . 1 1 45 45 SER CA C 45 58.656 58.656 60.801 -2.146 25125
6434 1 10 . 1 1 45 45 SER CB C 45 65.407 65.407 63.733 1.674 25125
6435 1 10 . 1 1 45 45 SER H H 45 7.728 7.728 8.168 -0.440 25125
6436 1 10 . 1 1 46 46 LYS N N 46 123.016 123.016 116.970 6.046 25125
6437 1 10 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.624 -0.038 25125
6438 1 10 . 1 1 46 46 LYS C C 46 172.719 172.719 175.396 -2.677 25125
6439 1 10 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.445 -0.933 25125
6440 1 10 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.180 2.045 25125
6441 1 10 . 1 1 46 46 LYS H H 46 8.101 8.101 7.913 0.188 25125
6442 1 10 . 1 1 47 47 THR N N 47 111.780 111.780 113.444 -1.664 25125
6443 1 10 . 1 1 47 47 THR HA H 47 4.282 4.282 3.899 0.383 25125
6444 1 10 . 1 1 47 47 THR CA C 47 57.806 57.806 61.992 -4.186 25125
6445 1 10 . 1 1 47 47 THR CB C 47 70.594 70.594 67.464 3.130 25125
6446 1 10 . 1 1 47 47 THR H H 47 7.677 7.677 7.793 -0.116 25125
6447 1 10 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.908 -0.003 25125
6448 1 10 . 1 1 48 48 PRO C C 48 172.966 172.966 175.498 -2.532 25125
6449 1 10 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.024 -1.159 25125
6450 1 10 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.590 -1.313 25125
6451 1 10 . 1 1 49 49 ASP N N 49 115.035 115.035 118.102 -3.067 25125
6452 1 10 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.589 -0.145 25125
6453 1 10 . 1 1 49 49 ASP C C 49 175.634 175.634 175.618 0.016 25125
6454 1 10 . 1 1 49 49 ASP CA C 49 56.447 56.447 53.938 2.509 25125
6455 1 10 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.096 -0.584 25125
6456 1 10 . 1 1 49 49 ASP H H 49 8.502 8.502 7.946 0.556 25125
6457 1 10 . 1 1 50 50 VAL N N 50 112.082 112.082 115.162 -3.080 25125
6458 1 10 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.492 -0.212 25125
6459 1 10 . 1 1 50 50 VAL C C 50 171.454 171.454 172.767 -1.313 25125
6460 1 10 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.478 -0.916 25125
6461 1 10 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.583 0.053 25125
6462 1 10 . 1 1 50 50 VAL H H 50 7.173 7.173 7.116 0.057 25125
6463 1 10 . 1 1 51 51 LEU N N 51 128.247 128.247 125.321 2.926 25125
6464 1 10 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.400 -0.081 25125
6465 1 10 . 1 1 51 51 LEU C C 51 173.104 173.104 174.762 -1.658 25125
6466 1 10 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.397 -0.179 25125
6467 1 10 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.885 -0.379 25125
6468 1 10 . 1 1 51 51 LEU H H 51 8.059 8.059 8.246 -0.187 25125
6469 1 10 . 1 1 52 52 LEU N N 52 128.407 128.407 123.285 5.122 25125
6470 1 10 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.080 0.421 25125
6471 1 10 . 1 1 52 52 LEU C C 52 175.414 175.414 175.902 -0.488 25125
6472 1 10 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.306 0.017 25125
6473 1 10 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.136 1.385 25125
6474 1 10 . 1 1 52 52 LEU H H 52 9.242 9.242 8.636 0.606 25125
6475 1 10 . 1 1 53 53 SER N N 53 114.946 114.946 118.639 -3.693 25125
6476 1 10 . 1 1 53 53 SER HA H 53 5.595 5.595 4.599 0.996 25125
6477 1 10 . 1 1 53 53 SER C C 53 174.644 174.644 174.532 0.112 25125
6478 1 10 . 1 1 53 53 SER CA C 53 55.954 55.954 57.490 -1.536 25125
6479 1 10 . 1 1 53 53 SER CB C 53 66.473 66.473 65.261 1.212 25125
6480 1 10 . 1 1 53 53 SER H H 53 8.695 8.695 7.827 0.868 25125
6481 1 10 . 1 1 54 54 ASP N N 54 128.341 128.341 126.130 2.211 25125
6482 1 10 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.642 0.683 25125
6483 1 10 . 1 1 54 54 ASP C C 54 176.816 176.816 176.296 0.520 25125
6484 1 10 . 1 1 54 54 ASP CA C 54 54.493 54.493 54.118 0.375 25125
6485 1 10 . 1 1 54 54 ASP CB C 54 42.328 42.328 41.339 0.989 25125
6486 1 10 . 1 1 54 54 ASP H H 54 7.886 7.886 8.894 -1.008 25125
6487 1 10 . 1 1 55 55 ILE N N 55 121.229 121.229 117.085 4.144 25125
6488 1 10 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.707 0.478 25125
6489 1 10 . 1 1 55 55 ILE C C 55 175.084 175.084 174.480 0.604 25125
6490 1 10 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.239 -0.697 25125
6491 1 10 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.947 3.082 25125
6492 1 10 . 1 1 55 55 ILE H H 55 8.722 8.722 8.004 0.718 25125
6493 1 10 . 1 1 56 56 ARG N N 56 124.188 124.188 124.255 -0.067 25125
6494 1 10 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.516 -0.011 25125
6495 1 10 . 1 1 56 56 ARG C C 56 175.661 175.661 175.045 0.616 25125
6496 1 10 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.007 -0.565 25125
6497 1 10 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.405 -1.043 25125
6498 1 10 . 1 1 56 56 ARG H H 56 8.499 8.499 8.654 -0.155 25125
6499 1 10 . 1 1 57 57 MET N N 57 122.581 122.581 119.512 3.069 25125
6500 1 10 . 1 1 57 57 MET HA H 57 4.821 4.821 4.976 -0.155 25125
6501 1 10 . 1 1 57 57 MET CA C 57 53.132 53.132 52.559 0.573 25125
6502 1 10 . 1 1 57 57 MET CB C 57 33.445 33.445 32.464 0.981 25125
6503 1 10 . 1 1 57 57 MET H H 57 7.956 7.956 7.950 0.006 25125
6504 1 10 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.294 0.099 25125
6505 1 10 . 1 1 58 58 PRO C C 58 177.806 177.806 177.786 0.020 25125
6506 1 10 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.777 -1.278 25125
6507 1 10 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.549 0.258 25125
6508 1 10 . 1 1 59 59 GLY N N 59 111.082 111.082 108.486 2.596 25125
6509 1 10 . 1 1 59 59 GLY C C 59 173.626 173.626 174.363 -0.737 25125
6510 1 10 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.421 0.169 25125
6511 1 10 . 1 1 59 59 GLY H H 59 8.653 8.653 8.394 0.259 25125
6512 1 10 . 1 1 60 60 MET N N 60 120.052 120.052 119.462 0.590 25125
6513 1 10 . 1 1 60 60 MET HA H 60 4.525 4.525 4.543 -0.018 25125
6514 1 10 . 1 1 60 60 MET C C 60 173.956 173.956 175.145 -1.189 25125
6515 1 10 . 1 1 60 60 MET CA C 60 55.047 55.047 55.627 -0.580 25125
6516 1 10 . 1 1 60 60 MET CB C 60 34.506 34.506 34.207 0.299 25125
6517 1 10 . 1 1 60 60 MET H H 60 7.968 7.968 7.657 0.311 25125
6518 1 10 . 1 1 61 61 ASP N N 61 121.306 121.306 120.318 0.988 25125
6519 1 10 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.689 0.015 25125
6520 1 10 . 1 1 61 61 ASP C C 61 176.761 176.761 177.695 -0.934 25125
6521 1 10 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.812 -0.083 25125
6522 1 10 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.203 -0.134 25125
6523 1 10 . 1 1 61 61 ASP H H 61 8.379 8.379 8.612 -0.233 25125
6524 1 10 . 1 1 62 62 GLY N N 62 110.874 110.874 108.654 2.220 25125
6525 1 10 . 1 1 62 62 GLY C C 62 175.194 175.194 175.702 -0.508 25125
6526 1 10 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.760 0.341 25125
6527 1 10 . 1 1 62 62 GLY H H 62 8.707 8.707 8.169 0.538 25125
6528 1 10 . 1 1 63 63 LEU N N 63 121.299 121.299 120.519 0.780 25125
6529 1 10 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.334 -0.157 25125
6530 1 10 . 1 1 63 63 LEU C C 63 178.356 178.356 178.096 0.260 25125
6531 1 10 . 1 1 63 63 LEU CA C 63 56.878 56.878 56.175 0.703 25125
6532 1 10 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.800 0.438 25125
6533 1 10 . 1 1 63 63 LEU H H 63 8.045 8.045 7.655 0.390 25125
6534 1 10 . 1 1 64 64 ALA N N 64 122.741 122.741 123.865 -1.124 25125
6535 1 10 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.005 0.057 25125
6536 1 10 . 1 1 64 64 ALA C C 64 180.556 180.556 178.682 1.874 25125
6537 1 10 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.081 -0.466 25125
6538 1 10 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.835 0.165 25125
6539 1 10 . 1 1 64 64 ALA H H 64 7.859 7.859 8.254 -0.395 25125
6540 1 10 . 1 1 65 65 LEU N N 65 120.287 120.287 114.173 6.114 25125
6541 1 10 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.405 -0.343 25125
6542 1 10 . 1 1 65 65 LEU C C 65 178.191 178.191 178.930 -0.739 25125
6543 1 10 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.381 1.638 25125
6544 1 10 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.017 -0.779 25125
6545 1 10 . 1 1 65 65 LEU H H 65 8.022 8.022 7.843 0.179 25125
6546 1 10 . 1 1 66 66 LEU N N 66 118.738 118.738 120.844 -2.106 25125
6547 1 10 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.093 -0.235 25125
6548 1 10 . 1 1 66 66 LEU C C 66 178.631 178.631 178.339 0.292 25125
6549 1 10 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.263 1.083 25125
6550 1 10 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.889 -0.651 25125
6551 1 10 . 1 1 66 66 LEU H H 66 8.101 8.101 7.566 0.535 25125
6552 1 10 . 1 1 67 67 LYS N N 67 117.842 117.842 117.947 -0.105 25125
6553 1 10 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.104 -0.122 25125
6554 1 10 . 1 1 67 67 LYS C C 67 179.263 179.263 178.189 1.074 25125
6555 1 10 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.640 1.157 25125
6556 1 10 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.960 0.247 25125
6557 1 10 . 1 1 67 67 LYS H H 67 8.010 8.010 8.414 -0.404 25125
6558 1 10 . 1 1 68 68 GLN N N 68 118.875 118.875 117.250 1.625 25125
6559 1 10 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.296 -0.240 25125
6560 1 10 . 1 1 68 68 GLN C C 68 179.071 179.071 177.488 1.583 25125
6561 1 10 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.098 0.975 25125
6562 1 10 . 1 1 68 68 GLN CB C 68 28.611 28.611 29.132 -0.521 25125
6563 1 10 . 1 1 68 68 GLN H H 68 7.809 7.809 7.554 0.255 25125
6564 1 10 . 1 1 69 69 ILE N N 69 120.377 120.377 121.222 -0.845 25125
6565 1 10 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.936 -0.406 25125
6566 1 10 . 1 1 69 69 ILE C C 69 177.421 177.421 177.738 -0.317 25125
6567 1 10 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.707 1.171 25125
6568 1 10 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.857 -0.273 25125
6569 1 10 . 1 1 69 69 ILE H H 69 8.481 8.481 7.518 0.963 25125
6570 1 10 . 1 1 70 70 LYS N N 70 117.873 117.873 116.713 1.160 25125
6571 1 10 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.178 -0.218 25125
6572 1 10 . 1 1 70 70 LYS C C 70 178.053 178.053 177.605 0.448 25125
6573 1 10 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.004 -0.916 25125
6574 1 10 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.866 -0.654 25125
6575 1 10 . 1 1 70 70 LYS H H 70 8.220 8.220 8.056 0.164 25125
6576 1 10 . 1 1 71 71 GLN N N 71 116.315 116.315 118.112 -1.797 25125
6577 1 10 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.217 -0.225 25125
6578 1 10 . 1 1 71 71 GLN C C 71 177.366 177.366 177.958 -0.592 25125
6579 1 10 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.732 0.458 25125
6580 1 10 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.459 -0.793 25125
6581 1 10 . 1 1 71 71 GLN H H 71 7.601 7.601 7.747 -0.146 25125
6582 1 10 . 1 1 72 72 ARG N N 72 116.530 116.530 117.043 -0.513 25125
6583 1 10 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.098 -0.068 25125
6584 1 10 . 1 1 72 72 ARG C C 72 175.826 175.826 176.553 -0.727 25125
6585 1 10 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.498 -0.277 25125
6586 1 10 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.531 0.271 25125
6587 1 10 . 1 1 72 72 ARG H H 72 7.301 7.301 8.165 -0.864 25125
6588 1 10 . 1 1 73 73 HIS N N 73 116.755 116.755 115.878 0.877 25125
6589 1 10 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.086 -0.126 25125
6590 1 10 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.484 -0.266 25125
6591 1 10 . 1 1 73 73 HIS CB C 73 30.562 30.562 29.549 1.013 25125
6592 1 10 . 1 1 73 73 HIS H H 73 8.331 8.331 7.777 0.554 25125
6593 1 10 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.397 0.102 25125
6594 1 10 . 1 1 74 74 PRO C C 74 178.466 178.466 177.754 0.712 25125
6595 1 10 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.042 0.071 25125
6596 1 10 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.160 -0.065 25125
6597 1 10 . 1 1 75 75 MET N N 75 114.814 114.814 114.734 0.080 25125
6598 1 10 . 1 1 75 75 MET HA H 75 4.567 4.567 4.414 0.153 25125
6599 1 10 . 1 1 75 75 MET C C 75 176.046 176.046 175.404 0.642 25125
6600 1 10 . 1 1 75 75 MET CA C 75 54.266 54.266 55.193 -0.927 25125
6601 1 10 . 1 1 75 75 MET CB C 75 31.288 31.288 31.267 0.021 25125
6602 1 10 . 1 1 75 75 MET H H 75 8.623 8.623 8.114 0.509 25125
6603 1 10 . 1 1 76 76 LEU N N 76 125.533 125.533 123.409 2.124 25125
6604 1 10 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.987 -0.682 25125
6605 1 10 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.557 1.555 25125
6606 1 10 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.409 0.276 25125
6607 1 10 . 1 1 76 76 LEU H H 76 7.337 7.337 7.124 0.213 25125
6608 1 10 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.479 -0.033 25125
6609 1 10 . 1 1 77 77 PRO C C 77 174.974 174.974 175.234 -0.260 25125
6610 1 10 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.502 0.325 25125
6611 1 10 . 1 1 77 77 PRO CB C 77 31.722 31.722 31.880 -0.157 25125
6612 1 10 . 1 1 78 78 VAL N N 78 123.779 123.779 122.091 1.688 25125
6613 1 10 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.381 0.643 25125
6614 1 10 . 1 1 78 78 VAL C C 78 175.441 175.441 175.119 0.322 25125
6615 1 10 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.773 -0.580 25125
6616 1 10 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.758 -1.464 25125
6617 1 10 . 1 1 78 78 VAL H H 78 8.317 8.317 8.181 0.136 25125
6618 1 10 . 1 1 79 79 ILE N N 79 128.334 128.334 121.650 6.684 25125
6619 1 10 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.776 -0.295 25125
6620 1 10 . 1 1 79 79 ILE C C 79 174.479 174.479 174.624 -0.145 25125
6621 1 10 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.055 -0.533 25125
6622 1 10 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.647 -1.684 25125
6623 1 10 . 1 1 79 79 ILE H H 79 9.292 9.292 8.863 0.429 25125
6624 1 10 . 1 1 80 80 ILE N N 80 127.023 127.023 126.368 0.655 25125
6625 1 10 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.169 0.690 25125
6626 1 10 . 1 1 80 80 ILE C C 80 175.029 175.029 175.296 -0.267 25125
6627 1 10 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.008 -1.851 25125
6628 1 10 . 1 1 80 80 ILE CB C 80 37.944 37.944 36.952 0.992 25125
6629 1 10 . 1 1 80 80 ILE H H 80 7.938 7.938 8.854 -0.915 25125
6630 1 10 . 1 1 81 81 MET N N 81 127.255 127.255 128.806 -1.551 25125
6631 1 10 . 1 1 81 81 MET HA H 81 5.521 5.521 4.926 0.595 25125
6632 1 10 . 1 1 81 81 MET C C 81 174.534 174.534 175.504 -0.970 25125
6633 1 10 . 1 1 81 81 MET CA C 81 53.513 53.513 56.307 -2.795 25125
6634 1 10 . 1 1 81 81 MET CB C 81 35.483 35.483 34.041 1.442 25125
6635 1 10 . 1 1 81 81 MET H H 81 8.801 8.801 8.333 0.468 25125
6636 1 10 . 1 1 82 82 THR N N 82 112.857 112.857 117.299 -4.442 25125
6637 1 10 . 1 1 82 82 THR HA H 82 4.914 4.914 4.605 0.309 25125
6638 1 10 . 1 1 82 82 THR C C 82 172.581 172.581 173.192 -0.611 25125
6639 1 10 . 1 1 82 82 THR CA C 82 59.561 59.561 62.706 -3.145 25125
6640 1 10 . 1 1 82 82 THR CB C 82 69.989 69.989 70.337 -0.348 25125
6641 1 10 . 1 1 82 82 THR H H 82 7.623 7.623 8.324 -0.701 25125
6642 1 10 . 1 1 83 83 ALA N N 83 129.541 129.541 123.359 6.182 25125
6643 1 10 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.881 0.827 25125
6644 1 10 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.376 -0.838 25125
6645 1 10 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.857 1.290 25125
6646 1 10 . 1 1 83 83 ALA H H 83 9.149 9.149 7.970 1.179 25125
6647 1 10 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.159 0.113 25125
6648 1 10 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.813 3.887 25125
6649 1 10 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.772 1.246 25125
6650 1 10 . 1 1 85 85 SER N N 85 112.633 112.633 118.415 -5.782 25125
6651 1 10 . 1 1 85 85 SER HA H 85 4.198 4.198 4.038 0.160 25125
6652 1 10 . 1 1 85 85 SER C C 85 174.506 174.506 173.689 0.817 25125
6653 1 10 . 1 1 85 85 SER CA C 85 59.823 59.823 60.519 -0.696 25125
6654 1 10 . 1 1 85 85 SER CB C 85 62.693 62.693 62.178 0.515 25125
6655 1 10 . 1 1 85 85 SER H H 85 8.224 8.224 8.623 -0.399 25125
6656 1 10 . 1 1 86 86 ASP N N 86 120.886 120.886 125.696 -4.810 25125
6657 1 10 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.401 0.535 25125
6658 1 10 . 1 1 86 86 ASP C C 86 175.881 175.881 176.523 -0.642 25125
6659 1 10 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.456 -1.522 25125
6660 1 10 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.081 0.922 25125
6661 1 10 . 1 1 86 86 ASP H H 86 7.608 7.608 8.304 -0.696 25125
6662 1 10 . 1 1 87 87 LEU N N 87 121.913 121.913 121.701 0.212 25125
6663 1 10 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.636 0.283 25125
6664 1 10 . 1 1 87 87 LEU C C 87 177.586 177.586 177.555 0.031 25125
6665 1 10 . 1 1 87 87 LEU CA C 87 57.837 57.837 57.889 -0.052 25125
6666 1 10 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.748 0.567 25125
6667 1 10 . 1 1 87 87 LEU H H 87 7.498 7.498 7.570 -0.072 25125
6668 1 10 . 1 1 88 88 ASP N N 88 117.621 117.621 117.276 0.345 25125
6669 1 10 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.240 0.032 25125
6670 1 10 . 1 1 88 88 ASP C C 88 178.246 178.246 177.607 0.639 25125
6671 1 10 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.480 -0.670 25125
6672 1 10 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.751 -0.617 25125
6673 1 10 . 1 1 88 88 ASP H H 88 8.322 8.322 8.609 -0.287 25125
6674 1 10 . 1 1 89 89 ALA N N 89 122.874 122.874 120.976 1.898 25125
6675 1 10 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.324 -0.230 25125
6676 1 10 . 1 1 89 89 ALA C C 89 179.346 179.346 179.079 0.267 25125
6677 1 10 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.414 -0.261 25125
6678 1 10 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.771 -0.510 25125
6679 1 10 . 1 1 89 89 ALA H H 89 7.838 7.838 7.386 0.452 25125
6680 1 10 . 1 1 90 90 ALA N N 90 121.673 121.673 121.475 0.198 25125
6681 1 10 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.238 -0.305 25125
6682 1 10 . 1 1 90 90 ALA C C 90 178.686 178.686 180.227 -1.541 25125
6683 1 10 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.478 0.185 25125
6684 1 10 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.266 0.116 25125
6685 1 10 . 1 1 90 90 ALA H H 90 7.896 7.896 7.519 0.377 25125
6686 1 10 . 1 1 91 91 VAL N N 91 117.749 117.749 119.049 -1.300 25125
6687 1 10 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.013 -0.401 25125
6688 1 10 . 1 1 91 91 VAL C C 91 178.411 178.411 177.255 1.156 25125
6689 1 10 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.559 -1.378 25125
6690 1 10 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.694 -0.057 25125
6691 1 10 . 1 1 91 91 VAL H H 91 8.098 8.098 8.707 -0.609 25125
6692 1 10 . 1 1 92 92 SER N N 92 114.942 114.942 113.403 1.539 25125
6693 1 10 . 1 1 92 92 SER HA H 92 4.231 4.231 4.440 -0.209 25125
6694 1 10 . 1 1 92 92 SER C C 92 175.826 175.826 175.500 0.326 25125
6695 1 10 . 1 1 92 92 SER CA C 92 60.649 60.649 59.812 0.837 25125
6696 1 10 . 1 1 92 92 SER CB C 92 63.063 63.063 64.084 -1.021 25125
6697 1 10 . 1 1 92 92 SER H H 92 7.825 7.825 7.872 -0.047 25125
6698 1 10 . 1 1 93 93 ALA N N 93 122.580 122.580 124.676 -2.096 25125
6699 1 10 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.165 -0.108 25125
6700 1 10 . 1 1 93 93 ALA C C 93 178.906 178.906 179.291 -0.385 25125
6701 1 10 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.470 -0.153 25125
6702 1 10 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.349 -0.052 25125
6703 1 10 . 1 1 93 93 ALA H H 93 7.861 7.861 7.788 0.073 25125
6704 1 10 . 1 1 94 94 TYR N N 94 118.447 118.447 120.708 -2.261 25125
6705 1 10 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.275 0.217 25125
6706 1 10 . 1 1 94 94 TYR C C 94 177.393 177.393 177.467 -0.074 25125
6707 1 10 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.915 -0.664 25125
6708 1 10 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.394 0.040 25125
6709 1 10 . 1 1 94 94 TYR H H 94 8.150 8.150 7.896 0.254 25125
6710 1 10 . 1 1 95 95 GLN N N 95 119.787 119.787 115.905 3.882 25125
6711 1 10 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.046 -0.003 25125
6712 1 10 . 1 1 95 95 GLN C C 95 176.981 176.981 176.582 0.399 25125
6713 1 10 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.972 0.494 25125
6714 1 10 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.752 0.337 25125
6715 1 10 . 1 1 95 95 GLN H H 95 8.271 8.271 8.006 0.265 25125
6716 1 10 . 1 1 96 96 GLN N N 96 117.878 117.878 118.500 -0.622 25125
6717 1 10 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.235 0.110 25125
6718 1 10 . 1 1 96 96 GLN C C 96 175.854 175.854 176.073 -0.219 25125
6719 1 10 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.119 0.052 25125
6720 1 10 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.160 0.315 25125
6721 1 10 . 1 1 96 96 GLN H H 96 7.944 7.944 7.743 0.201 25125
6722 1 10 . 1 1 97 97 GLY N N 97 106.670 106.670 105.479 1.191 25125
6723 1 10 . 1 1 97 97 GLY C C 97 174.231 174.231 173.084 1.147 25125
6724 1 10 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.776 0.710 25125
6725 1 10 . 1 1 97 97 GLY H H 97 7.949 7.949 7.910 0.039 25125
6726 1 10 . 1 1 98 98 ALA N N 98 122.898 122.898 120.658 2.240 25125
6727 1 10 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.382 -0.007 25125
6728 1 10 . 1 1 98 98 ALA C C 98 175.991 175.991 175.641 0.350 25125
6729 1 10 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.040 2.128 25125
6730 1 10 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.323 -1.355 25125
6731 1 10 . 1 1 98 98 ALA H H 98 7.808 7.808 7.121 0.687 25125
6732 1 10 . 1 1 99 99 PHE N N 99 123.484 123.484 119.274 4.210 25125
6733 1 10 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.393 -0.043 25125
6734 1 10 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.762 1.694 25125
6735 1 10 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.052 -0.612 25125
6736 1 10 . 1 1 99 99 PHE H H 99 7.704 7.704 8.216 -0.512 25125
6737 1 10 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.912 0.592 25125
6738 1 10 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.927 -1.445 25125
6739 1 10 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.059 4.141 25125
6740 1 10 . 1 1 101 101 TYR N N 101 118.148 118.148 120.745 -2.597 25125
6741 1 10 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.462 0.986 25125
6742 1 10 . 1 1 101 101 TYR C C 101 173.159 173.159 174.546 -1.387 25125
6743 1 10 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.496 -0.509 25125
6744 1 10 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.881 3.017 25125
6745 1 10 . 1 1 101 101 TYR H H 101 9.546 9.546 7.419 2.127 25125
6746 1 10 . 1 1 102 102 LEU N N 102 124.100 124.100 119.676 4.424 25125
6747 1 10 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.046 -0.326 25125
6748 1 10 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.725 -1.226 25125
6749 1 10 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.159 -0.098 25125
6750 1 10 . 1 1 102 102 LEU H H 102 8.901 8.901 8.156 0.745 25125
6751 1 10 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.570 0.323 25125
6752 1 10 . 1 1 103 103 PRO C C 103 175.524 175.524 175.653 -0.129 25125
6753 1 10 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.455 -0.570 25125
6754 1 10 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.783 -0.977 25125
6755 1 10 . 1 1 104 104 LYS N N 104 118.848 118.848 121.017 -2.169 25125
6756 1 10 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.958 -0.445 25125
6757 1 10 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.066 0.152 25125
6758 1 10 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.498 2.246 25125
6759 1 10 . 1 1 104 104 LYS H H 104 8.279 8.279 8.166 0.113 25125
6760 1 10 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.514 -0.215 25125
6761 1 10 . 1 1 105 105 PRO C C 105 175.001 175.001 175.667 -0.666 25125
6762 1 10 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.705 -0.311 25125
6763 1 10 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.096 1.999 25125
6764 1 10 . 1 1 106 106 PHE N N 106 116.607 116.607 114.360 2.247 25125
6765 1 10 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.793 0.377 25125
6766 1 10 . 1 1 106 106 PHE C C 106 175.221 175.221 174.225 0.996 25125
6767 1 10 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.997 -2.562 25125
6768 1 10 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.359 0.041 25125
6769 1 10 . 1 1 106 106 PHE H H 106 7.457 7.457 7.482 -0.025 25125
6770 1 10 . 1 1 107 107 ASP N N 107 122.214 122.214 122.480 -0.266 25125
6771 1 10 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.000 -0.168 25125
6772 1 10 . 1 1 107 107 ASP C C 107 177.778 177.778 176.725 1.053 25125
6773 1 10 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.644 -0.402 25125
6774 1 10 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.187 1.410 25125
6775 1 10 . 1 1 107 107 ASP H H 107 9.022 9.022 8.715 0.307 25125
6776 1 10 . 1 1 108 108 ILE N N 108 127.706 127.706 124.898 2.808 25125
6777 1 10 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.781 0.184 25125
6778 1 10 . 1 1 108 108 ILE C C 108 176.046 176.046 177.048 -1.002 25125
6779 1 10 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.210 -2.221 25125
6780 1 10 . 1 1 108 108 ILE CB C 108 37.754 37.754 37.962 -0.208 25125
6781 1 10 . 1 1 108 108 ILE H H 108 8.860 8.860 8.749 0.111 25125
6782 1 10 . 1 1 109 109 ASP N N 109 120.058 120.058 118.679 1.379 25125
6783 1 10 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.371 0.017 25125
6784 1 10 . 1 1 109 109 ASP C C 109 179.786 179.786 179.196 0.590 25125
6785 1 10 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.786 -0.292 25125
6786 1 10 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.908 0.146 25125
6787 1 10 . 1 1 109 109 ASP H H 109 8.079 8.079 8.792 -0.713 25125
6788 1 10 . 1 1 110 110 GLU N N 110 121.559 121.559 119.819 1.740 25125
6789 1 10 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.270 -0.202 25125
6790 1 10 . 1 1 110 110 GLU C C 110 179.043 179.043 178.641 0.402 25125
6791 1 10 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.040 0.786 25125
6792 1 10 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.863 -0.520 25125
6793 1 10 . 1 1 110 110 GLU H H 110 8.012 8.012 8.033 -0.021 25125
6794 1 10 . 1 1 111 111 ALA N N 111 122.267 122.267 123.644 -1.377 25125
6795 1 10 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.075 -0.321 25125
6796 1 10 . 1 1 111 111 ALA C C 111 178.493 178.493 179.406 -0.913 25125
6797 1 10 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.255 -0.083 25125
6798 1 10 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.428 -0.046 25125
6799 1 10 . 1 1 111 111 ALA H H 111 7.897 7.897 8.373 -0.476 25125
6800 1 10 . 1 1 112 112 VAL N N 112 116.527 116.527 118.243 -1.716 25125
6801 1 10 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.502 -0.335 25125
6802 1 10 . 1 1 112 112 VAL C C 112 177.201 177.201 177.817 -0.616 25125
6803 1 10 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.798 0.347 25125
6804 1 10 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.718 -0.166 25125
6805 1 10 . 1 1 112 112 VAL H H 112 8.018 8.018 8.348 -0.330 25125
6806 1 10 . 1 1 113 113 ALA N N 113 119.895 119.895 120.827 -0.932 25125
6807 1 10 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.169 -0.031 25125
6808 1 10 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.382 0.450 25125
6809 1 10 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.617 -0.745 25125
6810 1 10 . 1 1 113 113 ALA H H 113 7.673 7.673 7.469 0.204 25125
6811 1 10 . 1 1 114 114 LEU N N 114 120.650 120.650 120.249 0.401 25125
6812 1 10 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.135 -0.052 25125
6813 1 10 . 1 1 114 114 LEU C C 114 178.466 178.466 178.223 0.243 25125
6814 1 10 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.746 0.274 25125
6815 1 10 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.009 -0.176 25125
6816 1 10 . 1 1 114 114 LEU H H 114 7.840 7.840 7.731 0.109 25125
6817 1 10 . 1 1 115 115 VAL N N 115 119.480 119.480 116.839 2.641 25125
6818 1 10 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.551 -0.339 25125
6819 1 10 . 1 1 115 115 VAL C C 115 177.448 177.448 176.789 0.659 25125
6820 1 10 . 1 1 115 115 VAL CA C 115 67.201 67.201 64.876 2.325 25125
6821 1 10 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.639 -0.967 25125
6822 1 10 . 1 1 115 115 VAL H H 115 7.824 7.824 7.620 0.204 25125
6823 1 10 . 1 1 116 116 GLU N N 116 117.473 117.473 121.132 -3.659 25125
6824 1 10 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.840 -0.051 25125
6825 1 10 . 1 1 116 116 GLU C C 116 179.566 179.566 178.589 0.977 25125
6826 1 10 . 1 1 116 116 GLU CA C 116 59.930 59.930 60.090 -0.160 25125
6827 1 10 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.442 -0.346 25125
6828 1 10 . 1 1 116 116 GLU H H 116 8.465 8.465 7.570 0.895 25125
6829 1 10 . 1 1 117 117 ARG N N 117 120.128 120.128 117.323 2.805 25125
6830 1 10 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.173 -0.109 25125
6831 1 10 . 1 1 117 117 ARG C C 117 178.438 178.438 178.377 0.061 25125
6832 1 10 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.911 0.367 25125
6833 1 10 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.854 0.423 25125
6834 1 10 . 1 1 117 117 ARG H H 117 8.012 8.012 7.860 0.152 25125
6835 1 10 . 1 1 118 118 ALA N N 118 122.270 122.270 122.052 0.218 25125
6836 1 10 . 1 1 118 118 ALA HA H 118 3.456 3.456 4.101 -0.645 25125
6837 1 10 . 1 1 118 118 ALA C C 118 178.741 178.741 179.431 -0.690 25125
6838 1 10 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.303 0.275 25125
6839 1 10 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.725 -0.567 25125
6840 1 10 . 1 1 118 118 ALA H H 118 7.958 7.958 7.605 0.353 25125
6841 1 10 . 1 1 119 119 ILE N N 119 115.269 115.269 118.448 -3.179 25125
6842 1 10 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.080 -0.352 25125
6843 1 10 . 1 1 119 119 ILE C C 119 177.366 177.366 178.130 -0.764 25125
6844 1 10 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.430 -0.761 25125
6845 1 10 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.290 -0.492 25125
6846 1 10 . 1 1 119 119 ILE H H 119 7.753 7.753 8.110 -0.357 25125
6847 1 10 . 1 1 120 120 SER N N 120 115.135 115.135 114.485 0.650 25125
6848 1 10 . 1 1 120 120 SER HA H 120 4.275 4.275 4.225 0.050 25125
6849 1 10 . 1 1 120 120 SER C C 120 175.084 175.084 175.600 -0.516 25125
6850 1 10 . 1 1 120 120 SER CA C 120 59.816 59.816 61.132 -1.316 25125
6851 1 10 . 1 1 120 120 SER CB C 120 63.380 63.380 63.001 0.379 25125
6852 1 10 . 1 1 120 120 SER H H 120 7.816 7.816 8.497 -0.681 25125
6853 1 10 . 1 1 121 121 HIS N N 121 119.908 119.908 121.111 -1.203 25125
6854 1 10 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.283 0.139 25125
6855 1 10 . 1 1 121 121 HIS C C 121 175.029 175.029 177.654 -2.625 25125
6856 1 10 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.629 -2.393 25125
6857 1 10 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.961 -0.533 25125
6858 1 10 . 1 1 121 121 HIS H H 121 7.910 7.910 7.776 0.134 25125
6859 1 10 . 1 1 122 122 TYR N N 122 118.880 118.880 120.183 -1.303 25125
6860 1 10 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.247 0.179 25125
6861 1 10 . 1 1 122 122 TYR C C 122 175.276 175.276 177.356 -2.080 25125
6862 1 10 . 1 1 122 122 TYR CA C 122 58.449 58.449 61.219 -2.770 25125
6863 1 10 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.266 0.338 25125
6864 1 10 . 1 1 122 122 TYR H H 122 7.766 7.766 7.903 -0.137 25125
6865 1 10 . 1 1 123 123 GLN N N 123 121.479 121.479 117.401 4.078 25125
6866 1 10 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.381 -0.111 25125
6867 1 10 . 1 1 123 123 GLN C C 123 174.534 174.534 174.707 -0.173 25125
6868 1 10 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.535 -0.023 25125
6869 1 10 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.059 1.709 25125
6870 1 10 . 1 1 123 123 GLN H H 123 7.878 7.878 8.175 -0.297 25125
6871 1 11 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.166 0.267 25125
6872 1 11 . 1 1 2 2 GLN CA C 2 55.564 55.564 57.153 -1.589 25125
6873 1 11 . 1 1 2 2 GLN CB C 2 29.600 29.600 28.235 1.365 25125
6874 1 11 . 1 1 3 3 ARG N N 3 121.252 121.252 125.613 -4.361 25125
6875 1 11 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.472 -0.107 25125
6876 1 11 . 1 1 3 3 ARG C C 3 175.634 175.634 174.683 0.951 25125
6877 1 11 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.103 -0.112 25125
6878 1 11 . 1 1 3 3 ARG CB C 3 31.297 31.297 32.463 -1.166 25125
6879 1 11 . 1 1 3 3 ARG H H 3 8.429 8.429 7.929 0.500 25125
6880 1 11 . 1 1 4 4 GLY N N 4 107.663 107.663 112.137 -4.474 25125
6881 1 11 . 1 1 4 4 GLY C C 4 171.041 171.041 174.769 -3.728 25125
6882 1 11 . 1 1 4 4 GLY CA C 4 45.316 45.316 45.845 -0.529 25125
6883 1 11 . 1 1 4 4 GLY H H 4 7.963 7.963 8.679 -0.716 25125
6884 1 11 . 1 1 5 5 ILE N N 5 122.603 122.603 121.075 1.528 25125
6885 1 11 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.090 0.609 25125
6886 1 11 . 1 1 5 5 ILE C C 5 175.359 175.359 174.625 0.734 25125
6887 1 11 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.642 -1.032 25125
6888 1 11 . 1 1 5 5 ILE CB C 5 39.576 39.576 37.649 1.927 25125
6889 1 11 . 1 1 5 5 ILE H H 5 9.610 9.610 7.310 2.300 25125
6890 1 11 . 1 1 6 6 VAL N N 6 127.905 127.905 126.543 1.362 25125
6891 1 11 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.602 0.210 25125
6892 1 11 . 1 1 6 6 VAL C C 6 174.204 174.204 175.278 -1.074 25125
6893 1 11 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.545 -0.986 25125
6894 1 11 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.019 1.507 25125
6895 1 11 . 1 1 6 6 VAL H H 6 9.090 9.090 7.834 1.256 25125
6896 1 11 . 1 1 7 7 TRP N N 7 127.467 127.467 129.570 -2.103 25125
6897 1 11 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.344 1.110 25125
6898 1 11 . 1 1 7 7 TRP C C 7 175.056 175.056 175.791 -0.735 25125
6899 1 11 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.320 -1.442 25125
6900 1 11 . 1 1 7 7 TRP CB C 7 33.134 33.134 30.077 3.057 25125
6901 1 11 . 1 1 7 7 TRP H H 7 8.497 8.497 8.280 0.217 25125
6902 1 11 . 1 1 8 8 VAL N N 8 122.068 122.068 123.771 -1.703 25125
6903 1 11 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.651 0.435 25125
6904 1 11 . 1 1 8 8 VAL C C 8 173.874 173.874 174.783 -0.909 25125
6905 1 11 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.210 -0.724 25125
6906 1 11 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.447 1.268 25125
6907 1 11 . 1 1 8 8 VAL H H 8 8.583 8.583 9.293 -0.710 25125
6908 1 11 . 1 1 9 9 VAL N N 9 127.733 127.733 125.410 2.323 25125
6909 1 11 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.596 0.365 25125
6910 1 11 . 1 1 9 9 VAL C C 9 173.131 173.131 174.118 -0.987 25125
6911 1 11 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.329 -0.654 25125
6912 1 11 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.292 0.619 25125
6913 1 11 . 1 1 9 9 VAL H H 9 9.107 9.107 8.563 0.544 25125
6914 1 11 . 1 1 10 10 ASP N N 10 124.306 124.306 124.456 -0.150 25125
6915 1 11 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.950 -0.381 25125
6916 1 11 . 1 1 10 10 ASP C C 10 175.029 175.029 175.385 -0.356 25125
6917 1 11 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.216 2.531 25125
6918 1 11 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.586 0.523 25125
6919 1 11 . 1 1 10 10 ASP H H 10 7.775 7.775 7.785 -0.010 25125
6920 1 11 . 1 1 11 11 ASP N N 11 126.714 126.714 117.265 9.449 25125
6921 1 11 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.846 -0.311 25125
6922 1 11 . 1 1 11 11 ASP C C 11 175.689 175.689 175.213 0.476 25125
6923 1 11 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.653 2.065 25125
6924 1 11 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.670 0.404 25125
6925 1 11 . 1 1 11 11 ASP H H 11 9.033 9.033 8.622 0.411 25125
6926 1 11 . 1 1 12 12 ASP N N 12 121.877 121.877 119.284 2.593 25125
6927 1 11 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.971 -0.325 25125
6928 1 11 . 1 1 12 12 ASP C C 12 177.036 177.036 175.784 1.252 25125
6929 1 11 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.507 -0.204 25125
6930 1 11 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.493 -3.329 25125
6931 1 11 . 1 1 12 12 ASP H H 12 9.570 9.570 7.805 1.765 25125
6932 1 11 . 1 1 13 13 SER N N 13 123.799 123.799 118.608 5.191 25125
6933 1 11 . 1 1 13 13 SER HA H 13 3.761 3.761 4.239 -0.478 25125
6934 1 11 . 1 1 13 13 SER C C 13 176.156 176.156 176.003 0.153 25125
6935 1 11 . 1 1 13 13 SER CA C 13 61.186 61.186 62.279 -1.093 25125
6936 1 11 . 1 1 13 13 SER CB C 13 62.749 62.749 63.301 -0.552 25125
6937 1 11 . 1 1 13 13 SER H H 13 8.850 8.850 8.813 0.037 25125
6938 1 11 . 1 1 14 14 SER N N 14 119.123 119.123 116.250 2.873 25125
6939 1 11 . 1 1 14 14 SER HA H 14 4.361 4.361 4.345 0.016 25125
6940 1 11 . 1 1 14 14 SER C C 14 176.404 176.404 176.069 0.335 25125
6941 1 11 . 1 1 14 14 SER CA C 14 61.730 61.730 61.868 -0.138 25125
6942 1 11 . 1 1 14 14 SER CB C 14 62.548 62.548 62.808 -0.260 25125
6943 1 11 . 1 1 14 14 SER H H 14 8.531 8.531 8.883 -0.351 25125
6944 1 11 . 1 1 15 15 ILE N N 15 123.637 123.637 119.825 3.812 25125
6945 1 11 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.037 -0.092 25125
6946 1 11 . 1 1 15 15 ILE C C 15 177.861 177.861 177.231 0.630 25125
6947 1 11 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.107 -1.907 25125
6948 1 11 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.361 -1.476 25125
6949 1 11 . 1 1 15 15 ILE H H 15 7.206 7.206 7.939 -0.733 25125
6950 1 11 . 1 1 16 16 ARG N N 16 116.694 116.694 120.206 -3.512 25125
6951 1 11 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.339 -0.616 25125
6952 1 11 . 1 1 16 16 ARG C C 16 177.448 177.448 178.505 -1.057 25125
6953 1 11 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.896 2.677 25125
6954 1 11 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.862 0.585 25125
6955 1 11 . 1 1 16 16 ARG H H 16 7.562 7.562 7.552 0.010 25125
6956 1 11 . 1 1 17 17 TRP N N 17 116.848 116.848 123.301 -6.453 25125
6957 1 11 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.293 0.178 25125
6958 1 11 . 1 1 17 17 TRP CA C 17 60.440 60.440 62.014 -1.573 25125
6959 1 11 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.549 -0.257 25125
6960 1 11 . 1 1 17 17 TRP H H 17 8.005 8.005 8.845 -0.840 25125
6961 1 11 . 1 1 18 18 VAL N N 18 116.964 116.964 116.033 0.931 25125
6962 1 11 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.825 0.850 25125
6963 1 11 . 1 1 18 18 VAL C C 18 179.181 179.181 177.808 1.373 25125
6964 1 11 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.394 0.314 25125
6965 1 11 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.512 1.125 25125
6966 1 11 . 1 1 18 18 VAL H H 18 8.110 8.110 7.597 0.513 25125
6967 1 11 . 1 1 19 19 LEU N N 19 120.186 120.186 117.928 2.258 25125
6968 1 11 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.157 -0.082 25125
6969 1 11 . 1 1 19 19 LEU C C 19 177.778 177.778 178.991 -1.213 25125
6970 1 11 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.023 0.799 25125
6971 1 11 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.480 0.301 25125
6972 1 11 . 1 1 19 19 LEU H H 19 8.073 8.073 7.502 0.571 25125
6973 1 11 . 1 1 20 20 GLU N N 20 120.193 120.193 120.299 -0.106 25125
6974 1 11 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.098 -0.157 25125
6975 1 11 . 1 1 20 20 GLU C C 20 178.603 178.603 178.641 -0.038 25125
6976 1 11 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.215 1.395 25125
6977 1 11 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.989 -0.901 25125
6978 1 11 . 1 1 20 20 GLU H H 20 8.387 8.387 7.957 0.430 25125
6979 1 11 . 1 1 21 21 ARG N N 21 116.076 116.076 118.365 -2.289 25125
6980 1 11 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.932 -0.039 25125
6981 1 11 . 1 1 21 21 ARG C C 21 179.676 179.676 178.387 1.289 25125
6982 1 11 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.795 -0.346 25125
6983 1 11 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.211 0.642 25125
6984 1 11 . 1 1 21 21 ARG H H 21 7.602 7.602 8.423 -0.821 25125
6985 1 11 . 1 1 22 22 ALA N N 22 122.405 122.405 122.470 -0.065 25125
6986 1 11 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.033 0.064 25125
6987 1 11 . 1 1 22 22 ALA C C 22 180.501 180.501 179.173 1.328 25125
6988 1 11 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.657 -0.079 25125
6989 1 11 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.117 1.115 25125
6990 1 11 . 1 1 22 22 ALA H H 22 7.992 7.992 7.568 0.424 25125
6991 1 11 . 1 1 23 23 LEU N N 23 118.026 118.026 117.447 0.579 25125
6992 1 11 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.275 -0.274 25125
6993 1 11 . 1 1 23 23 LEU C C 23 178.878 178.878 178.939 -0.061 25125
6994 1 11 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.952 1.769 25125
6995 1 11 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.954 -2.299 25125
6996 1 11 . 1 1 23 23 LEU H H 23 8.825 8.825 7.497 1.328 25125
6997 1 11 . 1 1 24 24 ALA N N 24 122.159 122.159 121.936 0.223 25125
6998 1 11 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.051 0.582 25125
6999 1 11 . 1 1 24 24 ALA C C 24 183.141 183.141 178.649 4.492 25125
7000 1 11 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.379 0.368 25125
7001 1 11 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.630 -0.928 25125
7002 1 11 . 1 1 24 24 ALA H H 24 8.125 8.125 7.914 0.211 25125
7003 1 11 . 1 1 25 25 GLY N N 25 106.891 106.891 105.295 1.596 25125
7004 1 11 . 1 1 25 25 GLY C C 25 174.286 174.286 174.139 0.147 25125
7005 1 11 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.971 1.450 25125
7006 1 11 . 1 1 25 25 GLY H H 25 7.870 7.870 7.812 0.058 25125
7007 1 11 . 1 1 26 26 ALA N N 26 121.819 121.819 123.725 -1.906 25125
7008 1 11 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.593 -0.094 25125
7009 1 11 . 1 1 26 26 ALA C C 26 176.953 176.953 177.820 -0.867 25125
7010 1 11 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.100 0.419 25125
7011 1 11 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.076 -1.354 25125
7012 1 11 . 1 1 26 26 ALA H H 26 7.285 7.285 7.411 -0.126 25125
7013 1 11 . 1 1 27 27 GLY N N 27 106.197 106.197 106.635 -0.438 25125
7014 1 11 . 1 1 27 27 GLY C C 27 173.956 173.956 173.320 0.636 25125
7015 1 11 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.175 0.141 25125
7016 1 11 . 1 1 27 27 GLY H H 27 7.824 7.824 8.577 -0.753 25125
7017 1 11 . 1 1 28 28 LEU N N 28 120.291 120.291 118.789 1.502 25125
7018 1 11 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.943 -0.368 25125
7019 1 11 . 1 1 28 28 LEU C C 28 175.881 175.881 176.285 -0.404 25125
7020 1 11 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.246 1.397 25125
7021 1 11 . 1 1 28 28 LEU CB C 28 42.485 42.485 45.420 -2.935 25125
7022 1 11 . 1 1 28 28 LEU H H 28 7.678 7.678 7.249 0.429 25125
7023 1 11 . 1 1 29 29 THR N N 29 118.040 118.040 116.201 1.839 25125
7024 1 11 . 1 1 29 29 THR HA H 29 4.335 4.335 4.595 -0.260 25125
7025 1 11 . 1 1 29 29 THR C C 29 173.186 173.186 173.682 -0.496 25125
7026 1 11 . 1 1 29 29 THR CA C 29 62.479 62.479 62.220 0.259 25125
7027 1 11 . 1 1 29 29 THR CB C 29 69.465 69.465 70.329 -0.864 25125
7028 1 11 . 1 1 29 29 THR H H 29 8.527 8.527 8.602 -0.075 25125
7029 1 11 . 1 1 30 30 CYS N N 30 128.387 128.387 121.846 6.541 25125
7030 1 11 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.276 0.667 25125
7031 1 11 . 1 1 30 30 CYS C C 30 173.846 173.846 173.930 -0.084 25125
7032 1 11 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.113 0.249 25125
7033 1 11 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.624 -0.144 25125
7034 1 11 . 1 1 30 30 CYS H H 30 8.968 8.968 8.479 0.489 25125
7035 1 11 . 1 1 31 31 THR N N 31 126.481 126.481 124.308 2.173 25125
7036 1 11 . 1 1 31 31 THR HA H 31 4.433 4.433 4.395 0.038 25125
7037 1 11 . 1 1 31 31 THR C C 31 172.609 172.609 173.487 -0.878 25125
7038 1 11 . 1 1 31 31 THR CA C 31 61.951 61.951 61.798 0.153 25125
7039 1 11 . 1 1 31 31 THR CB C 31 70.567 70.567 70.176 0.391 25125
7040 1 11 . 1 1 31 31 THR H H 31 8.614 8.614 8.477 0.137 25125
7041 1 11 . 1 1 32 32 THR N N 32 116.418 116.418 117.581 -1.163 25125
7042 1 11 . 1 1 32 32 THR HA H 32 5.330 5.330 4.906 0.424 25125
7043 1 11 . 1 1 32 32 THR C C 32 172.306 172.306 172.781 -0.475 25125
7044 1 11 . 1 1 32 32 THR CA C 32 59.173 59.173 60.224 -1.051 25125
7045 1 11 . 1 1 32 32 THR CB C 32 70.917 70.917 70.171 0.746 25125
7046 1 11 . 1 1 32 32 THR H H 32 8.299 8.299 8.072 0.227 25125
7047 1 11 . 1 1 33 33 PHE N N 33 118.067 118.067 121.487 -3.420 25125
7048 1 11 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.664 -0.021 25125
7049 1 11 . 1 1 33 33 PHE C C 33 174.341 174.341 174.592 -0.251 25125
7050 1 11 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.628 -0.096 25125
7051 1 11 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.130 1.179 25125
7052 1 11 . 1 1 33 33 PHE H H 33 8.890 8.890 8.362 0.528 25125
7053 1 11 . 1 1 34 34 GLU N N 34 118.499 118.499 115.850 2.649 25125
7054 1 11 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.832 -0.478 25125
7055 1 11 . 1 1 34 34 GLU C C 34 175.414 175.414 175.773 -0.359 25125
7056 1 11 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.299 0.393 25125
7057 1 11 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.147 0.320 25125
7058 1 11 . 1 1 34 34 GLU H H 34 9.023 9.023 8.630 0.393 25125
7059 1 11 . 1 1 35 35 ASN N N 35 109.907 109.907 118.370 -8.463 25125
7060 1 11 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.914 -0.133 25125
7061 1 11 . 1 1 35 35 ASN C C 35 175.139 175.139 176.436 -1.297 25125
7062 1 11 . 1 1 35 35 ASN CA C 35 52.146 52.146 51.884 0.262 25125
7063 1 11 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.555 1.768 25125
7064 1 11 . 1 1 35 35 ASN H H 35 7.401 7.401 8.161 -0.760 25125
7065 1 11 . 1 1 36 36 GLY N N 36 106.739 106.739 111.812 -5.073 25125
7066 1 11 . 1 1 36 36 GLY C C 36 174.616 174.616 175.209 -0.593 25125
7067 1 11 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.071 -0.055 25125
7068 1 11 . 1 1 36 36 GLY H H 36 8.877 8.877 8.983 -0.106 25125
7069 1 11 . 1 1 37 37 ASN N N 37 120.462 120.462 118.668 1.794 25125
7070 1 11 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.531 -0.169 25125
7071 1 11 . 1 1 37 37 ASN C C 37 178.686 178.686 176.787 1.899 25125
7072 1 11 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.486 1.046 25125
7073 1 11 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.337 -0.753 25125
7074 1 11 . 1 1 37 37 ASN H H 37 8.366 8.366 8.576 -0.210 25125
7075 1 11 . 1 1 38 38 GLU N N 38 119.360 119.360 118.902 0.458 25125
7076 1 11 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.203 -0.133 25125
7077 1 11 . 1 1 38 38 GLU C C 38 179.263 179.263 177.794 1.469 25125
7078 1 11 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.407 0.225 25125
7079 1 11 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.869 0.663 25125
7080 1 11 . 1 1 38 38 GLU H H 38 7.990 7.990 7.930 0.060 25125
7081 1 11 . 1 1 39 39 VAL N N 39 119.259 119.259 118.951 0.308 25125
7082 1 11 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.137 -0.369 25125
7083 1 11 . 1 1 39 39 VAL C C 39 176.431 176.431 177.580 -1.149 25125
7084 1 11 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.789 1.154 25125
7085 1 11 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.392 -0.317 25125
7086 1 11 . 1 1 39 39 VAL H H 39 6.883 6.883 6.996 -0.113 25125
7087 1 11 . 1 1 40 40 LEU N N 40 119.627 119.627 121.215 -1.588 25125
7088 1 11 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.991 -0.064 25125
7089 1 11 . 1 1 40 40 LEU C C 40 179.538 179.538 178.124 1.414 25125
7090 1 11 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.160 -0.220 25125
7091 1 11 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.301 -0.233 25125
7092 1 11 . 1 1 40 40 LEU H H 40 7.692 7.692 7.670 0.022 25125
7093 1 11 . 1 1 41 41 ALA N N 41 120.051 120.051 119.993 0.058 25125
7094 1 11 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.132 0.008 25125
7095 1 11 . 1 1 41 41 ALA C C 41 180.528 180.528 179.546 0.982 25125
7096 1 11 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.467 0.183 25125
7097 1 11 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.933 -0.067 25125
7098 1 11 . 1 1 41 41 ALA H H 41 7.553 7.553 7.825 -0.272 25125
7099 1 11 . 1 1 42 42 ALA N N 42 122.731 122.731 122.335 0.396 25125
7100 1 11 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.049 0.150 25125
7101 1 11 . 1 1 42 42 ALA C C 42 180.198 180.198 180.244 -0.046 25125
7102 1 11 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.416 0.616 25125
7103 1 11 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.941 1.458 25125
7104 1 11 . 1 1 42 42 ALA H H 42 7.604 7.604 7.202 0.402 25125
7105 1 11 . 1 1 43 43 LEU N N 43 119.131 119.131 119.229 -0.098 25125
7106 1 11 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.119 1.087 25125
7107 1 11 . 1 1 43 43 LEU C C 43 177.421 177.421 179.495 -2.074 25125
7108 1 11 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.692 -2.147 25125
7109 1 11 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.153 1.451 25125
7110 1 11 . 1 1 43 43 LEU H H 43 8.288 8.288 7.890 0.398 25125
7111 1 11 . 1 1 44 44 ALA N N 44 119.065 119.065 119.470 -0.405 25125
7112 1 11 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.157 0.072 25125
7113 1 11 . 1 1 44 44 ALA C C 44 178.686 178.686 178.527 0.159 25125
7114 1 11 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.122 0.116 25125
7115 1 11 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.396 0.120 25125
7116 1 11 . 1 1 44 44 ALA H H 44 7.302 7.302 7.795 -0.493 25125
7117 1 11 . 1 1 45 45 SER N N 45 108.656 108.656 113.319 -4.663 25125
7118 1 11 . 1 1 45 45 SER HA H 45 4.742 4.742 4.444 0.298 25125
7119 1 11 . 1 1 45 45 SER C C 45 173.296 173.296 174.615 -1.319 25125
7120 1 11 . 1 1 45 45 SER CA C 45 58.656 58.656 59.998 -1.341 25125
7121 1 11 . 1 1 45 45 SER CB C 45 65.407 65.407 64.161 1.246 25125
7122 1 11 . 1 1 45 45 SER H H 45 7.728 7.728 7.978 -0.250 25125
7123 1 11 . 1 1 46 46 LYS N N 46 123.016 123.016 119.329 3.687 25125
7124 1 11 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.543 0.043 25125
7125 1 11 . 1 1 46 46 LYS C C 46 172.719 172.719 174.927 -2.208 25125
7126 1 11 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.083 -0.571 25125
7127 1 11 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.034 3.191 25125
7128 1 11 . 1 1 46 46 LYS H H 46 8.101 8.101 7.693 0.408 25125
7129 1 11 . 1 1 47 47 THR N N 47 111.780 111.780 119.155 -7.375 25125
7130 1 11 . 1 1 47 47 THR HA H 47 4.282 4.282 4.031 0.251 25125
7131 1 11 . 1 1 47 47 THR CA C 47 57.806 57.806 61.943 -4.136 25125
7132 1 11 . 1 1 47 47 THR CB C 47 70.594 70.594 68.450 2.144 25125
7133 1 11 . 1 1 47 47 THR H H 47 7.677 7.677 7.981 -0.304 25125
7134 1 11 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.907 -0.002 25125
7135 1 11 . 1 1 48 48 PRO C C 48 172.966 172.966 175.750 -2.784 25125
7136 1 11 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.993 -1.128 25125
7137 1 11 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.596 -1.319 25125
7138 1 11 . 1 1 49 49 ASP N N 49 115.035 115.035 119.853 -4.818 25125
7139 1 11 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.515 -0.071 25125
7140 1 11 . 1 1 49 49 ASP C C 49 175.634 175.634 175.682 -0.048 25125
7141 1 11 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.736 0.711 25125
7142 1 11 . 1 1 49 49 ASP CB C 49 42.512 42.512 41.347 1.165 25125
7143 1 11 . 1 1 49 49 ASP H H 49 8.502 8.502 8.324 0.178 25125
7144 1 11 . 1 1 50 50 VAL N N 50 112.082 112.082 114.719 -2.637 25125
7145 1 11 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.654 -0.374 25125
7146 1 11 . 1 1 50 50 VAL C C 50 171.454 171.454 173.192 -1.738 25125
7147 1 11 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.155 -0.593 25125
7148 1 11 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.816 -0.180 25125
7149 1 11 . 1 1 50 50 VAL H H 50 7.173 7.173 7.039 0.134 25125
7150 1 11 . 1 1 51 51 LEU N N 51 128.247 128.247 125.494 2.753 25125
7151 1 11 . 1 1 51 51 LEU HA H 51 5.319 5.319 4.968 0.351 25125
7152 1 11 . 1 1 51 51 LEU C C 51 173.104 173.104 174.678 -1.574 25125
7153 1 11 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.821 -0.603 25125
7154 1 11 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.257 0.249 25125
7155 1 11 . 1 1 51 51 LEU H H 51 8.059 8.059 7.942 0.117 25125
7156 1 11 . 1 1 52 52 LEU N N 52 128.407 128.407 123.724 4.683 25125
7157 1 11 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.944 0.557 25125
7158 1 11 . 1 1 52 52 LEU C C 52 175.414 175.414 175.835 -0.421 25125
7159 1 11 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.351 -0.028 25125
7160 1 11 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.978 1.543 25125
7161 1 11 . 1 1 52 52 LEU H H 52 9.242 9.242 8.982 0.260 25125
7162 1 11 . 1 1 53 53 SER N N 53 114.946 114.946 117.588 -2.642 25125
7163 1 11 . 1 1 53 53 SER HA H 53 5.595 5.595 4.505 1.090 25125
7164 1 11 . 1 1 53 53 SER C C 53 174.644 174.644 172.819 1.825 25125
7165 1 11 . 1 1 53 53 SER CA C 53 55.954 55.954 58.688 -2.733 25125
7166 1 11 . 1 1 53 53 SER CB C 53 66.473 66.473 64.626 1.847 25125
7167 1 11 . 1 1 53 53 SER H H 53 8.695 8.695 8.014 0.681 25125
7168 1 11 . 1 1 54 54 ASP N N 54 128.341 128.341 124.013 4.328 25125
7169 1 11 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.413 -0.088 25125
7170 1 11 . 1 1 54 54 ASP C C 54 176.816 176.816 176.563 0.253 25125
7171 1 11 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.681 1.812 25125
7172 1 11 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.657 -1.329 25125
7173 1 11 . 1 1 54 54 ASP H H 54 7.886 7.886 8.023 -0.137 25125
7174 1 11 . 1 1 55 55 ILE N N 55 121.229 121.229 126.605 -5.376 25125
7175 1 11 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.560 -0.375 25125
7176 1 11 . 1 1 55 55 ILE C C 55 175.084 175.084 175.357 -0.273 25125
7177 1 11 . 1 1 55 55 ILE CA C 55 61.542 61.542 60.420 1.122 25125
7178 1 11 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.169 2.860 25125
7179 1 11 . 1 1 55 55 ILE H H 55 8.722 8.722 8.857 -0.135 25125
7180 1 11 . 1 1 56 56 ARG N N 56 124.188 124.188 124.144 0.044 25125
7181 1 11 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.562 -0.057 25125
7182 1 11 . 1 1 56 56 ARG C C 56 175.661 175.661 176.187 -0.526 25125
7183 1 11 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.233 -0.792 25125
7184 1 11 . 1 1 56 56 ARG CB C 56 30.362 30.362 32.135 -1.773 25125
7185 1 11 . 1 1 56 56 ARG H H 56 8.499 8.499 7.858 0.641 25125
7186 1 11 . 1 1 57 57 MET N N 57 122.581 122.581 120.310 2.271 25125
7187 1 11 . 1 1 57 57 MET HA H 57 4.821 4.821 5.037 -0.216 25125
7188 1 11 . 1 1 57 57 MET CA C 57 53.132 53.132 51.879 1.253 25125
7189 1 11 . 1 1 57 57 MET CB C 57 33.445 33.445 32.276 1.169 25125
7190 1 11 . 1 1 57 57 MET H H 57 7.956 7.956 7.803 0.153 25125
7191 1 11 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.439 -0.046 25125
7192 1 11 . 1 1 58 58 PRO C C 58 177.806 177.806 178.336 -0.530 25125
7193 1 11 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.379 0.120 25125
7194 1 11 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.899 -0.092 25125
7195 1 11 . 1 1 59 59 GLY N N 59 111.082 111.082 108.309 2.773 25125
7196 1 11 . 1 1 59 59 GLY C C 59 173.626 173.626 175.502 -1.876 25125
7197 1 11 . 1 1 59 59 GLY CA C 59 45.590 45.590 46.768 -1.178 25125
7198 1 11 . 1 1 59 59 GLY H H 59 8.653 8.653 8.499 0.154 25125
7199 1 11 . 1 1 60 60 MET N N 60 120.052 120.052 122.957 -2.905 25125
7200 1 11 . 1 1 60 60 MET HA H 60 4.525 4.525 4.261 0.264 25125
7201 1 11 . 1 1 60 60 MET C C 60 173.956 173.956 176.671 -2.715 25125
7202 1 11 . 1 1 60 60 MET CA C 60 55.047 55.047 57.099 -2.052 25125
7203 1 11 . 1 1 60 60 MET CB C 60 34.506 34.506 32.952 1.554 25125
7204 1 11 . 1 1 60 60 MET H H 60 7.968 7.968 8.348 -0.380 25125
7205 1 11 . 1 1 61 61 ASP N N 61 121.306 121.306 117.193 4.113 25125
7206 1 11 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.309 0.395 25125
7207 1 11 . 1 1 61 61 ASP C C 61 176.761 176.761 177.039 -0.278 25125
7208 1 11 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.395 -3.667 25125
7209 1 11 . 1 1 61 61 ASP CB C 61 41.069 41.069 39.914 1.155 25125
7210 1 11 . 1 1 61 61 ASP H H 61 8.379 8.379 8.110 0.269 25125
7211 1 11 . 1 1 62 62 GLY N N 62 110.874 110.874 105.352 5.522 25125
7212 1 11 . 1 1 62 62 GLY C C 62 175.194 175.194 174.343 0.851 25125
7213 1 11 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.569 1.532 25125
7214 1 11 . 1 1 62 62 GLY H H 62 8.707 8.707 8.319 0.388 25125
7215 1 11 . 1 1 63 63 LEU N N 63 121.299 121.299 120.534 0.765 25125
7216 1 11 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.587 -0.410 25125
7217 1 11 . 1 1 63 63 LEU C C 63 178.356 178.356 177.947 0.409 25125
7218 1 11 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.187 1.691 25125
7219 1 11 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.215 1.022 25125
7220 1 11 . 1 1 63 63 LEU H H 63 8.045 8.045 7.961 0.084 25125
7221 1 11 . 1 1 64 64 ALA N N 64 122.741 122.741 122.643 0.098 25125
7222 1 11 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.037 0.025 25125
7223 1 11 . 1 1 64 64 ALA C C 64 180.556 180.556 178.550 2.006 25125
7224 1 11 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.240 -0.625 25125
7225 1 11 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.153 -0.153 25125
7226 1 11 . 1 1 64 64 ALA H H 64 7.859 7.859 7.887 -0.028 25125
7227 1 11 . 1 1 65 65 LEU N N 65 120.287 120.287 114.054 6.233 25125
7228 1 11 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.366 -0.304 25125
7229 1 11 . 1 1 65 65 LEU C C 65 178.191 178.191 178.874 -0.683 25125
7230 1 11 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.775 1.244 25125
7231 1 11 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.897 -0.659 25125
7232 1 11 . 1 1 65 65 LEU H H 65 8.022 8.022 7.402 0.620 25125
7233 1 11 . 1 1 66 66 LEU N N 66 118.738 118.738 120.962 -2.224 25125
7234 1 11 . 1 1 66 66 LEU HA H 66 3.858 3.858 3.956 -0.098 25125
7235 1 11 . 1 1 66 66 LEU C C 66 178.631 178.631 178.801 -0.170 25125
7236 1 11 . 1 1 66 66 LEU CA C 66 58.346 58.346 58.645 -0.299 25125
7237 1 11 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.662 -0.424 25125
7238 1 11 . 1 1 66 66 LEU H H 66 8.101 8.101 7.792 0.309 25125
7239 1 11 . 1 1 67 67 LYS N N 67 117.842 117.842 116.588 1.254 25125
7240 1 11 . 1 1 67 67 LYS HA H 67 3.982 3.982 3.981 0.001 25125
7241 1 11 . 1 1 67 67 LYS C C 67 179.263 179.263 179.075 0.188 25125
7242 1 11 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.983 0.814 25125
7243 1 11 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.870 0.337 25125
7244 1 11 . 1 1 67 67 LYS H H 67 8.010 8.010 8.299 -0.289 25125
7245 1 11 . 1 1 68 68 GLN N N 68 118.875 118.875 117.219 1.656 25125
7246 1 11 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.243 -0.187 25125
7247 1 11 . 1 1 68 68 GLN C C 68 179.071 179.071 177.715 1.356 25125
7248 1 11 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.385 0.688 25125
7249 1 11 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.906 -0.295 25125
7250 1 11 . 1 1 68 68 GLN H H 68 7.809 7.809 8.271 -0.462 25125
7251 1 11 . 1 1 69 69 ILE N N 69 120.377 120.377 121.231 -0.854 25125
7252 1 11 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.962 -0.432 25125
7253 1 11 . 1 1 69 69 ILE C C 69 177.421 177.421 178.186 -0.765 25125
7254 1 11 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.408 1.470 25125
7255 1 11 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.551 0.033 25125
7256 1 11 . 1 1 69 69 ILE H H 69 8.481 8.481 7.740 0.741 25125
7257 1 11 . 1 1 70 70 LYS N N 70 117.873 117.873 118.493 -0.620 25125
7258 1 11 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.165 -0.205 25125
7259 1 11 . 1 1 70 70 LYS C C 70 178.053 178.053 177.505 0.548 25125
7260 1 11 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.391 -1.302 25125
7261 1 11 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.181 -0.969 25125
7262 1 11 . 1 1 70 70 LYS H H 70 8.220 8.220 7.616 0.604 25125
7263 1 11 . 1 1 71 71 GLN N N 71 116.315 116.315 116.484 -0.169 25125
7264 1 11 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.204 -0.212 25125
7265 1 11 . 1 1 71 71 GLN C C 71 177.366 177.366 177.586 -0.220 25125
7266 1 11 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.440 0.750 25125
7267 1 11 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.161 -0.496 25125
7268 1 11 . 1 1 71 71 GLN H H 71 7.601 7.601 7.346 0.255 25125
7269 1 11 . 1 1 72 72 ARG N N 72 116.530 116.530 117.580 -1.050 25125
7270 1 11 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.174 -0.144 25125
7271 1 11 . 1 1 72 72 ARG C C 72 175.826 175.826 175.481 0.345 25125
7272 1 11 . 1 1 72 72 ARG CA C 72 57.222 57.222 56.705 0.517 25125
7273 1 11 . 1 1 72 72 ARG CB C 72 31.802 31.802 32.067 -0.265 25125
7274 1 11 . 1 1 72 72 ARG H H 72 7.301 7.301 8.091 -0.790 25125
7275 1 11 . 1 1 73 73 HIS N N 73 116.755 116.755 117.298 -0.543 25125
7276 1 11 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.870 0.090 25125
7277 1 11 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.190 0.028 25125
7278 1 11 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.320 0.242 25125
7279 1 11 . 1 1 73 73 HIS H H 73 8.331 8.331 7.765 0.566 25125
7280 1 11 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.428 0.071 25125
7281 1 11 . 1 1 74 74 PRO C C 74 178.466 178.466 177.675 0.791 25125
7282 1 11 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.608 0.505 25125
7283 1 11 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.290 -0.195 25125
7284 1 11 . 1 1 75 75 MET N N 75 114.814 114.814 117.578 -2.764 25125
7285 1 11 . 1 1 75 75 MET HA H 75 4.567 4.567 4.302 0.265 25125
7286 1 11 . 1 1 75 75 MET C C 75 176.046 176.046 175.751 0.295 25125
7287 1 11 . 1 1 75 75 MET CA C 75 54.266 54.266 55.868 -1.602 25125
7288 1 11 . 1 1 75 75 MET CB C 75 31.288 31.288 32.352 -1.064 25125
7289 1 11 . 1 1 75 75 MET H H 75 8.623 8.623 7.707 0.916 25125
7290 1 11 . 1 1 76 76 LEU N N 76 125.533 125.533 120.319 5.214 25125
7291 1 11 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.378 -0.073 25125
7292 1 11 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.607 1.505 25125
7293 1 11 . 1 1 76 76 LEU CB C 76 43.685 43.685 42.428 1.257 25125
7294 1 11 . 1 1 76 76 LEU H H 76 7.337 7.337 7.636 -0.299 25125
7295 1 11 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.488 -0.042 25125
7296 1 11 . 1 1 77 77 PRO C C 77 174.974 174.974 175.518 -0.544 25125
7297 1 11 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.384 0.443 25125
7298 1 11 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.235 -0.513 25125
7299 1 11 . 1 1 78 78 VAL N N 78 123.779 123.779 119.772 4.007 25125
7300 1 11 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.767 0.257 25125
7301 1 11 . 1 1 78 78 VAL C C 78 175.441 175.441 175.483 -0.042 25125
7302 1 11 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.226 -0.033 25125
7303 1 11 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.176 -1.883 25125
7304 1 11 . 1 1 78 78 VAL H H 78 8.317 8.317 8.027 0.290 25125
7305 1 11 . 1 1 79 79 ILE N N 79 128.334 128.334 122.448 5.886 25125
7306 1 11 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.779 -0.298 25125
7307 1 11 . 1 1 79 79 ILE C C 79 174.479 174.479 174.404 0.075 25125
7308 1 11 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.202 -0.680 25125
7309 1 11 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.235 -2.272 25125
7310 1 11 . 1 1 79 79 ILE H H 79 9.292 9.292 8.885 0.407 25125
7311 1 11 . 1 1 80 80 ILE N N 80 127.023 127.023 124.791 2.232 25125
7312 1 11 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.186 0.673 25125
7313 1 11 . 1 1 80 80 ILE C C 80 175.029 175.029 175.439 -0.410 25125
7314 1 11 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.001 -1.844 25125
7315 1 11 . 1 1 80 80 ILE CB C 80 37.944 37.944 36.951 0.993 25125
7316 1 11 . 1 1 80 80 ILE H H 80 7.938 7.938 8.755 -0.817 25125
7317 1 11 . 1 1 81 81 MET N N 81 127.255 127.255 128.095 -0.840 25125
7318 1 11 . 1 1 81 81 MET HA H 81 5.521 5.521 5.140 0.381 25125
7319 1 11 . 1 1 81 81 MET C C 81 174.534 174.534 175.961 -1.427 25125
7320 1 11 . 1 1 81 81 MET CA C 81 53.513 53.513 55.675 -2.162 25125
7321 1 11 . 1 1 81 81 MET CB C 81 35.483 35.483 33.250 2.233 25125
7322 1 11 . 1 1 81 81 MET H H 81 8.801 8.801 8.421 0.380 25125
7323 1 11 . 1 1 82 82 THR N N 82 112.857 112.857 116.928 -4.071 25125
7324 1 11 . 1 1 82 82 THR HA H 82 4.914 4.914 4.239 0.674 25125
7325 1 11 . 1 1 82 82 THR C C 82 172.581 172.581 173.639 -1.058 25125
7326 1 11 . 1 1 82 82 THR CA C 82 59.561 59.561 61.816 -2.255 25125
7327 1 11 . 1 1 82 82 THR CB C 82 69.989 69.989 69.337 0.652 25125
7328 1 11 . 1 1 82 82 THR H H 82 7.623 7.623 8.445 -0.822 25125
7329 1 11 . 1 1 83 83 ALA N N 83 129.541 129.541 123.451 6.090 25125
7330 1 11 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.793 0.915 25125
7331 1 11 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.218 -0.680 25125
7332 1 11 . 1 1 83 83 ALA CB C 83 19.147 19.147 18.081 1.065 25125
7333 1 11 . 1 1 83 83 ALA H H 83 9.149 9.149 7.889 1.260 25125
7334 1 11 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.217 0.055 25125
7335 1 11 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.785 3.915 25125
7336 1 11 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.718 1.300 25125
7337 1 11 . 1 1 85 85 SER N N 85 112.633 112.633 115.419 -2.786 25125
7338 1 11 . 1 1 85 85 SER HA H 85 4.198 4.198 4.140 0.058 25125
7339 1 11 . 1 1 85 85 SER C C 85 174.506 174.506 175.997 -1.491 25125
7340 1 11 . 1 1 85 85 SER CA C 85 59.823 59.823 61.219 -1.396 25125
7341 1 11 . 1 1 85 85 SER CB C 85 62.693 62.693 62.590 0.103 25125
7342 1 11 . 1 1 85 85 SER H H 85 8.224 8.224 8.747 -0.523 25125
7343 1 11 . 1 1 86 86 ASP N N 86 120.886 120.886 121.508 -0.622 25125
7344 1 11 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.296 0.640 25125
7345 1 11 . 1 1 86 86 ASP C C 86 175.881 175.881 178.467 -2.586 25125
7346 1 11 . 1 1 86 86 ASP CA C 86 53.934 53.934 57.285 -3.351 25125
7347 1 11 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.503 1.500 25125
7348 1 11 . 1 1 86 86 ASP H H 86 7.608 7.608 7.972 -0.364 25125
7349 1 11 . 1 1 87 87 LEU N N 87 121.913 121.913 118.760 3.153 25125
7350 1 11 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.828 0.091 25125
7351 1 11 . 1 1 87 87 LEU C C 87 177.586 177.586 177.957 -0.371 25125
7352 1 11 . 1 1 87 87 LEU CA C 87 57.837 57.837 57.692 0.145 25125
7353 1 11 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.926 0.389 25125
7354 1 11 . 1 1 87 87 LEU H H 87 7.498 7.498 7.976 -0.478 25125
7355 1 11 . 1 1 88 88 ASP N N 88 117.621 117.621 118.772 -1.151 25125
7356 1 11 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.278 -0.006 25125
7357 1 11 . 1 1 88 88 ASP C C 88 178.246 178.246 177.351 0.895 25125
7358 1 11 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.665 -0.855 25125
7359 1 11 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.803 -0.669 25125
7360 1 11 . 1 1 88 88 ASP H H 88 8.322 8.322 7.904 0.418 25125
7361 1 11 . 1 1 89 89 ALA N N 89 122.874 122.874 119.442 3.432 25125
7362 1 11 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.407 -0.313 25125
7363 1 11 . 1 1 89 89 ALA C C 89 179.346 179.346 178.687 0.659 25125
7364 1 11 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.075 0.078 25125
7365 1 11 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.679 -0.418 25125
7366 1 11 . 1 1 89 89 ALA H H 89 7.838 7.838 7.379 0.459 25125
7367 1 11 . 1 1 90 90 ALA N N 90 121.673 121.673 121.144 0.529 25125
7368 1 11 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.221 -0.288 25125
7369 1 11 . 1 1 90 90 ALA C C 90 178.686 178.686 179.824 -1.138 25125
7370 1 11 . 1 1 90 90 ALA CA C 90 54.663 54.663 53.792 0.871 25125
7371 1 11 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.561 -0.179 25125
7372 1 11 . 1 1 90 90 ALA H H 90 7.896 7.896 7.612 0.284 25125
7373 1 11 . 1 1 91 91 VAL N N 91 117.749 117.749 118.981 -1.232 25125
7374 1 11 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.935 -0.323 25125
7375 1 11 . 1 1 91 91 VAL C C 91 178.411 178.411 177.119 1.292 25125
7376 1 11 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.946 -1.765 25125
7377 1 11 . 1 1 91 91 VAL CB C 91 31.637 31.637 32.027 -0.390 25125
7378 1 11 . 1 1 91 91 VAL H H 91 8.098 8.098 8.437 -0.339 25125
7379 1 11 . 1 1 92 92 SER N N 92 114.942 114.942 113.514 1.428 25125
7380 1 11 . 1 1 92 92 SER HA H 92 4.231 4.231 4.450 -0.219 25125
7381 1 11 . 1 1 92 92 SER C C 92 175.826 175.826 175.644 0.182 25125
7382 1 11 . 1 1 92 92 SER CA C 92 60.649 60.649 59.734 0.915 25125
7383 1 11 . 1 1 92 92 SER CB C 92 63.063 63.063 64.388 -1.325 25125
7384 1 11 . 1 1 92 92 SER H H 92 7.825 7.825 8.104 -0.279 25125
7385 1 11 . 1 1 93 93 ALA N N 93 122.580 122.580 124.159 -1.579 25125
7386 1 11 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.229 -0.172 25125
7387 1 11 . 1 1 93 93 ALA C C 93 178.906 178.906 179.416 -0.510 25125
7388 1 11 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.585 -0.268 25125
7389 1 11 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.584 -0.287 25125
7390 1 11 . 1 1 93 93 ALA H H 93 7.861 7.861 7.648 0.213 25125
7391 1 11 . 1 1 94 94 TYR N N 94 118.447 118.447 120.401 -1.954 25125
7392 1 11 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.248 0.244 25125
7393 1 11 . 1 1 94 94 TYR C C 94 177.393 177.393 177.626 -0.233 25125
7394 1 11 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.970 -0.719 25125
7395 1 11 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.158 0.276 25125
7396 1 11 . 1 1 94 94 TYR H H 94 8.150 8.150 8.008 0.142 25125
7397 1 11 . 1 1 95 95 GLN N N 95 119.787 119.787 115.824 3.963 25125
7398 1 11 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.004 0.039 25125
7399 1 11 . 1 1 95 95 GLN C C 95 176.981 176.981 176.431 0.550 25125
7400 1 11 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.782 0.684 25125
7401 1 11 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.779 0.311 25125
7402 1 11 . 1 1 95 95 GLN H H 95 8.271 8.271 7.998 0.273 25125
7403 1 11 . 1 1 96 96 GLN N N 96 117.878 117.878 118.806 -0.928 25125
7404 1 11 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.192 0.153 25125
7405 1 11 . 1 1 96 96 GLN C C 96 175.854 175.854 175.692 0.162 25125
7406 1 11 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.259 -0.088 25125
7407 1 11 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.305 0.170 25125
7408 1 11 . 1 1 96 96 GLN H H 96 7.944 7.944 7.627 0.317 25125
7409 1 11 . 1 1 97 97 GLY N N 97 106.670 106.670 104.394 2.276 25125
7410 1 11 . 1 1 97 97 GLY C C 97 174.231 174.231 173.096 1.135 25125
7411 1 11 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.660 0.826 25125
7412 1 11 . 1 1 97 97 GLY H H 97 7.949 7.949 7.243 0.706 25125
7413 1 11 . 1 1 98 98 ALA N N 98 122.898 122.898 120.430 2.468 25125
7414 1 11 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.411 -0.036 25125
7415 1 11 . 1 1 98 98 ALA C C 98 175.991 175.991 175.541 0.450 25125
7416 1 11 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.975 2.193 25125
7417 1 11 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.458 -1.489 25125
7418 1 11 . 1 1 98 98 ALA H H 98 7.808 7.808 7.061 0.747 25125
7419 1 11 . 1 1 99 99 PHE N N 99 123.484 123.484 119.130 4.354 25125
7420 1 11 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.419 -0.069 25125
7421 1 11 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.622 1.834 25125
7422 1 11 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.267 -0.827 25125
7423 1 11 . 1 1 99 99 PHE H H 99 7.704 7.704 8.290 -0.586 25125
7424 1 11 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.906 0.598 25125
7425 1 11 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.330 -1.848 25125
7426 1 11 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.336 3.865 25125
7427 1 11 . 1 1 101 101 TYR N N 101 118.148 118.148 120.832 -2.684 25125
7428 1 11 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.486 0.962 25125
7429 1 11 . 1 1 101 101 TYR C C 101 173.159 173.159 174.682 -1.523 25125
7430 1 11 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.649 -0.662 25125
7431 1 11 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.908 2.990 25125
7432 1 11 . 1 1 101 101 TYR H H 101 9.546 9.546 7.438 2.108 25125
7433 1 11 . 1 1 102 102 LEU N N 102 124.100 124.100 119.959 4.141 25125
7434 1 11 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.043 -0.323 25125
7435 1 11 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.623 -1.124 25125
7436 1 11 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.247 -0.186 25125
7437 1 11 . 1 1 102 102 LEU H H 102 8.901 8.901 8.199 0.702 25125
7438 1 11 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.604 0.289 25125
7439 1 11 . 1 1 103 103 PRO C C 103 175.524 175.524 175.773 -0.249 25125
7440 1 11 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.575 -0.691 25125
7441 1 11 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.761 -0.954 25125
7442 1 11 . 1 1 104 104 LYS N N 104 118.848 118.848 121.699 -2.851 25125
7443 1 11 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.782 -0.269 25125
7444 1 11 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.438 -0.220 25125
7445 1 11 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.468 1.276 25125
7446 1 11 . 1 1 104 104 LYS H H 104 8.279 8.279 8.194 0.085 25125
7447 1 11 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.341 -0.042 25125
7448 1 11 . 1 1 105 105 PRO C C 105 175.001 175.001 175.570 -0.569 25125
7449 1 11 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.761 -0.367 25125
7450 1 11 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.225 1.870 25125
7451 1 11 . 1 1 106 106 PHE N N 106 116.607 116.607 114.582 2.025 25125
7452 1 11 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.799 0.371 25125
7453 1 11 . 1 1 106 106 PHE C C 106 175.221 175.221 174.287 0.934 25125
7454 1 11 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.658 -2.223 25125
7455 1 11 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.287 0.113 25125
7456 1 11 . 1 1 106 106 PHE H H 106 7.457 7.457 7.465 -0.008 25125
7457 1 11 . 1 1 107 107 ASP N N 107 122.214 122.214 122.956 -0.742 25125
7458 1 11 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.010 -0.178 25125
7459 1 11 . 1 1 107 107 ASP C C 107 177.778 177.778 176.598 1.180 25125
7460 1 11 . 1 1 107 107 ASP CA C 107 53.242 53.242 54.027 -0.785 25125
7461 1 11 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.291 1.306 25125
7462 1 11 . 1 1 107 107 ASP H H 107 9.022 9.022 8.679 0.343 25125
7463 1 11 . 1 1 108 108 ILE N N 108 127.706 127.706 124.869 2.837 25125
7464 1 11 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.754 0.211 25125
7465 1 11 . 1 1 108 108 ILE C C 108 176.046 176.046 177.116 -1.070 25125
7466 1 11 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.068 -2.079 25125
7467 1 11 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.016 -0.262 25125
7468 1 11 . 1 1 108 108 ILE H H 108 8.860 8.860 8.821 0.039 25125
7469 1 11 . 1 1 109 109 ASP N N 109 120.058 120.058 119.016 1.042 25125
7470 1 11 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.372 0.016 25125
7471 1 11 . 1 1 109 109 ASP C C 109 179.786 179.786 179.250 0.536 25125
7472 1 11 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.570 -0.076 25125
7473 1 11 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.785 0.269 25125
7474 1 11 . 1 1 109 109 ASP H H 109 8.079 8.079 8.655 -0.576 25125
7475 1 11 . 1 1 110 110 GLU N N 110 121.559 121.559 119.357 2.202 25125
7476 1 11 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.250 -0.182 25125
7477 1 11 . 1 1 110 110 GLU C C 110 179.043 179.043 178.552 0.491 25125
7478 1 11 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.200 0.626 25125
7479 1 11 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.089 -0.746 25125
7480 1 11 . 1 1 110 110 GLU H H 110 8.012 8.012 8.039 -0.027 25125
7481 1 11 . 1 1 111 111 ALA N N 111 122.267 122.267 123.459 -1.192 25125
7482 1 11 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.996 -0.242 25125
7483 1 11 . 1 1 111 111 ALA C C 111 178.493 178.493 179.555 -1.062 25125
7484 1 11 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.176 -0.004 25125
7485 1 11 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.235 0.146 25125
7486 1 11 . 1 1 111 111 ALA H H 111 7.897 7.897 8.097 -0.200 25125
7487 1 11 . 1 1 112 112 VAL N N 112 116.527 116.527 118.164 -1.637 25125
7488 1 11 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.553 -0.386 25125
7489 1 11 . 1 1 112 112 VAL C C 112 177.201 177.201 177.925 -0.724 25125
7490 1 11 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.559 0.586 25125
7491 1 11 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.640 -0.088 25125
7492 1 11 . 1 1 112 112 VAL H H 112 8.018 8.018 8.443 -0.425 25125
7493 1 11 . 1 1 113 113 ALA N N 113 119.895 119.895 120.931 -1.036 25125
7494 1 11 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.246 -0.108 25125
7495 1 11 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.353 0.479 25125
7496 1 11 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.534 -0.662 25125
7497 1 11 . 1 1 113 113 ALA H H 113 7.673 7.673 7.462 0.211 25125
7498 1 11 . 1 1 114 114 LEU N N 114 120.650 120.650 120.254 0.396 25125
7499 1 11 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.182 -0.099 25125
7500 1 11 . 1 1 114 114 LEU C C 114 178.466 178.466 178.169 0.297 25125
7501 1 11 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.559 0.462 25125
7502 1 11 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.066 -0.233 25125
7503 1 11 . 1 1 114 114 LEU H H 114 7.840 7.840 7.652 0.188 25125
7504 1 11 . 1 1 115 115 VAL N N 115 119.480 119.480 117.131 2.349 25125
7505 1 11 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.696 -0.484 25125
7506 1 11 . 1 1 115 115 VAL C C 115 177.448 177.448 177.044 0.404 25125
7507 1 11 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.049 2.152 25125
7508 1 11 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.687 -1.015 25125
7509 1 11 . 1 1 115 115 VAL H H 115 7.824 7.824 7.653 0.171 25125
7510 1 11 . 1 1 116 116 GLU N N 116 117.473 117.473 120.555 -3.082 25125
7511 1 11 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.880 -0.091 25125
7512 1 11 . 1 1 116 116 GLU C C 116 179.566 179.566 178.724 0.842 25125
7513 1 11 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.959 -0.029 25125
7514 1 11 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.518 -0.422 25125
7515 1 11 . 1 1 116 116 GLU H H 116 8.465 8.465 7.520 0.945 25125
7516 1 11 . 1 1 117 117 ARG N N 117 120.128 120.128 117.218 2.910 25125
7517 1 11 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.222 -0.158 25125
7518 1 11 . 1 1 117 117 ARG C C 117 178.438 178.438 177.251 1.187 25125
7519 1 11 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.430 0.848 25125
7520 1 11 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.866 0.412 25125
7521 1 11 . 1 1 117 117 ARG H H 117 8.012 8.012 7.763 0.249 25125
7522 1 11 . 1 1 118 118 ALA N N 118 122.270 122.270 121.647 0.623 25125
7523 1 11 . 1 1 118 118 ALA HA H 118 3.456 3.456 4.120 -0.664 25125
7524 1 11 . 1 1 118 118 ALA C C 118 178.741 178.741 179.016 -0.275 25125
7525 1 11 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.959 0.619 25125
7526 1 11 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.482 -1.324 25125
7527 1 11 . 1 1 118 118 ALA H H 118 7.958 7.958 7.668 0.290 25125
7528 1 11 . 1 1 119 119 ILE N N 119 115.269 115.269 116.244 -0.975 25125
7529 1 11 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.132 -0.404 25125
7530 1 11 . 1 1 119 119 ILE C C 119 177.366 177.366 177.211 0.155 25125
7531 1 11 . 1 1 119 119 ILE CA C 119 63.669 63.669 63.365 0.304 25125
7532 1 11 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.206 -0.408 25125
7533 1 11 . 1 1 119 119 ILE H H 119 7.753 7.753 8.071 -0.318 25125
7534 1 11 . 1 1 120 120 SER N N 120 115.135 115.135 113.284 1.851 25125
7535 1 11 . 1 1 120 120 SER HA H 120 4.275 4.275 4.432 -0.157 25125
7536 1 11 . 1 1 120 120 SER C C 120 175.084 175.084 174.714 0.370 25125
7537 1 11 . 1 1 120 120 SER CA C 120 59.816 59.816 59.613 0.203 25125
7538 1 11 . 1 1 120 120 SER CB C 120 63.380 63.380 62.498 0.882 25125
7539 1 11 . 1 1 120 120 SER H H 120 7.816 7.816 8.285 -0.469 25125
7540 1 11 . 1 1 121 121 HIS N N 121 119.908 119.908 122.042 -2.134 25125
7541 1 11 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.473 -0.051 25125
7542 1 11 . 1 1 121 121 HIS C C 121 175.029 175.029 175.521 -0.492 25125
7543 1 11 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.869 -1.633 25125
7544 1 11 . 1 1 121 121 HIS CB C 121 29.428 29.428 30.792 -1.364 25125
7545 1 11 . 1 1 121 121 HIS H H 121 7.910 7.910 7.595 0.315 25125
7546 1 11 . 1 1 122 122 TYR N N 122 118.880 118.880 114.371 4.509 25125
7547 1 11 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.749 -0.323 25125
7548 1 11 . 1 1 122 122 TYR C C 122 175.276 175.276 174.942 0.334 25125
7549 1 11 . 1 1 122 122 TYR CA C 122 58.449 58.449 57.075 1.374 25125
7550 1 11 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.594 0.010 25125
7551 1 11 . 1 1 122 122 TYR H H 122 7.766 7.766 8.061 -0.295 25125
7552 1 11 . 1 1 123 123 GLN N N 123 121.479 121.479 117.947 3.532 25125
7553 1 11 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.102 0.168 25125
7554 1 11 . 1 1 123 123 GLN C C 123 174.534 174.534 175.535 -1.001 25125
7555 1 11 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.664 -0.152 25125
7556 1 11 . 1 1 123 123 GLN CB C 123 29.768 29.768 30.064 -0.296 25125
7557 1 11 . 1 1 123 123 GLN H H 123 7.878 7.878 7.367 0.511 25125
7558 1 12 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.163 0.270 25125
7559 1 12 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.896 -1.332 25125
7560 1 12 . 1 1 2 2 GLN CB C 2 29.600 29.600 28.546 1.054 25125
7561 1 12 . 1 1 3 3 ARG N N 3 121.252 121.252 118.502 2.750 25125
7562 1 12 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.469 -0.104 25125
7563 1 12 . 1 1 3 3 ARG C C 3 175.634 175.634 174.713 0.921 25125
7564 1 12 . 1 1 3 3 ARG CA C 3 55.991 55.991 55.537 0.454 25125
7565 1 12 . 1 1 3 3 ARG CB C 3 31.297 31.297 31.150 0.147 25125
7566 1 12 . 1 1 3 3 ARG H H 3 8.429 8.429 8.140 0.289 25125
7567 1 12 . 1 1 4 4 GLY N N 4 107.663 107.663 109.454 -1.791 25125
7568 1 12 . 1 1 4 4 GLY C C 4 171.041 171.041 173.456 -2.415 25125
7569 1 12 . 1 1 4 4 GLY CA C 4 45.316 45.316 45.075 0.241 25125
7570 1 12 . 1 1 4 4 GLY H H 4 7.963 7.963 7.752 0.211 25125
7571 1 12 . 1 1 5 5 ILE N N 5 122.603 122.603 125.451 -2.848 25125
7572 1 12 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.065 0.634 25125
7573 1 12 . 1 1 5 5 ILE C C 5 175.359 175.359 175.105 0.254 25125
7574 1 12 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.680 -1.070 25125
7575 1 12 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.531 0.045 25125
7576 1 12 . 1 1 5 5 ILE H H 5 9.610 9.610 8.069 1.541 25125
7577 1 12 . 1 1 6 6 VAL N N 6 127.905 127.905 124.041 3.864 25125
7578 1 12 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.042 -0.230 25125
7579 1 12 . 1 1 6 6 VAL C C 6 174.204 174.204 175.431 -1.227 25125
7580 1 12 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.299 -0.740 25125
7581 1 12 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.124 0.402 25125
7582 1 12 . 1 1 6 6 VAL H H 6 9.090 9.090 8.025 1.065 25125
7583 1 12 . 1 1 7 7 TRP N N 7 127.467 127.467 128.067 -0.600 25125
7584 1 12 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.125 1.329 25125
7585 1 12 . 1 1 7 7 TRP C C 7 175.056 175.056 175.177 -0.121 25125
7586 1 12 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.511 -1.633 25125
7587 1 12 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.214 1.920 25125
7588 1 12 . 1 1 7 7 TRP H H 7 8.497 8.497 8.266 0.231 25125
7589 1 12 . 1 1 8 8 VAL N N 8 122.068 122.068 121.334 0.734 25125
7590 1 12 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.459 0.627 25125
7591 1 12 . 1 1 8 8 VAL C C 8 173.874 173.874 173.874 0.000 25125
7592 1 12 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.667 -1.181 25125
7593 1 12 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.179 1.536 25125
7594 1 12 . 1 1 8 8 VAL H H 8 8.583 8.583 9.213 -0.630 25125
7595 1 12 . 1 1 9 9 VAL N N 9 127.733 127.733 125.574 2.159 25125
7596 1 12 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.545 0.416 25125
7597 1 12 . 1 1 9 9 VAL C C 9 173.131 173.131 173.404 -0.273 25125
7598 1 12 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.781 -1.106 25125
7599 1 12 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.813 0.098 25125
7600 1 12 . 1 1 9 9 VAL H H 9 9.107 9.107 8.692 0.415 25125
7601 1 12 . 1 1 10 10 ASP N N 10 124.306 124.306 127.761 -3.455 25125
7602 1 12 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.988 -0.419 25125
7603 1 12 . 1 1 10 10 ASP C C 10 175.029 175.029 174.806 0.223 25125
7604 1 12 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.291 1.456 25125
7605 1 12 . 1 1 10 10 ASP CB C 10 44.109 44.109 44.936 -0.827 25125
7606 1 12 . 1 1 10 10 ASP H H 10 7.775 7.775 8.347 -0.572 25125
7607 1 12 . 1 1 11 11 ASP N N 11 126.714 126.714 119.381 7.333 25125
7608 1 12 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.781 -0.246 25125
7609 1 12 . 1 1 11 11 ASP C C 11 175.689 175.689 175.062 0.627 25125
7610 1 12 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.646 1.072 25125
7611 1 12 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.666 0.408 25125
7612 1 12 . 1 1 11 11 ASP H H 11 9.033 9.033 8.728 0.305 25125
7613 1 12 . 1 1 12 12 ASP N N 12 121.877 121.877 118.873 3.004 25125
7614 1 12 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.950 -0.304 25125
7615 1 12 . 1 1 12 12 ASP C C 12 177.036 177.036 176.103 0.933 25125
7616 1 12 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.358 -0.055 25125
7617 1 12 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.765 -2.601 25125
7618 1 12 . 1 1 12 12 ASP H H 12 9.570 9.570 7.980 1.590 25125
7619 1 12 . 1 1 13 13 SER N N 13 123.799 123.799 118.852 4.947 25125
7620 1 12 . 1 1 13 13 SER HA H 13 3.761 3.761 4.250 -0.489 25125
7621 1 12 . 1 1 13 13 SER C C 13 176.156 176.156 175.910 0.246 25125
7622 1 12 . 1 1 13 13 SER CA C 13 61.186 61.186 61.831 -0.645 25125
7623 1 12 . 1 1 13 13 SER CB C 13 62.749 62.749 63.289 -0.540 25125
7624 1 12 . 1 1 13 13 SER H H 13 8.850 8.850 8.851 -0.001 25125
7625 1 12 . 1 1 14 14 SER N N 14 119.123 119.123 116.693 2.430 25125
7626 1 12 . 1 1 14 14 SER HA H 14 4.361 4.361 4.340 0.021 25125
7627 1 12 . 1 1 14 14 SER C C 14 176.404 176.404 176.367 0.037 25125
7628 1 12 . 1 1 14 14 SER CA C 14 61.730 61.730 61.118 0.612 25125
7629 1 12 . 1 1 14 14 SER CB C 14 62.548 62.548 62.815 -0.266 25125
7630 1 12 . 1 1 14 14 SER H H 14 8.531 8.531 8.783 -0.252 25125
7631 1 12 . 1 1 15 15 ILE N N 15 123.637 123.637 120.779 2.858 25125
7632 1 12 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.951 -0.006 25125
7633 1 12 . 1 1 15 15 ILE C C 15 177.861 177.861 177.846 0.015 25125
7634 1 12 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.773 -1.573 25125
7635 1 12 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.289 -1.403 25125
7636 1 12 . 1 1 15 15 ILE H H 15 7.206 7.206 8.101 -0.895 25125
7637 1 12 . 1 1 16 16 ARG N N 16 116.694 116.694 119.942 -3.248 25125
7638 1 12 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.454 -0.731 25125
7639 1 12 . 1 1 16 16 ARG C C 16 177.448 177.448 178.519 -1.071 25125
7640 1 12 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.596 2.977 25125
7641 1 12 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.975 0.472 25125
7642 1 12 . 1 1 16 16 ARG H H 16 7.562 7.562 7.288 0.274 25125
7643 1 12 . 1 1 17 17 TRP N N 17 116.848 116.848 123.347 -6.499 25125
7644 1 12 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.334 0.137 25125
7645 1 12 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.987 -1.547 25125
7646 1 12 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.697 -0.405 25125
7647 1 12 . 1 1 17 17 TRP H H 17 8.005 8.005 8.731 -0.726 25125
7648 1 12 . 1 1 18 18 VAL N N 18 116.964 116.964 116.137 0.827 25125
7649 1 12 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.897 0.778 25125
7650 1 12 . 1 1 18 18 VAL C C 18 179.181 179.181 177.811 1.370 25125
7651 1 12 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.455 0.253 25125
7652 1 12 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.591 1.046 25125
7653 1 12 . 1 1 18 18 VAL H H 18 8.110 8.110 7.675 0.435 25125
7654 1 12 . 1 1 19 19 LEU N N 19 120.186 120.186 117.830 2.356 25125
7655 1 12 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.207 -0.132 25125
7656 1 12 . 1 1 19 19 LEU C C 19 177.778 177.778 178.863 -1.085 25125
7657 1 12 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.807 1.015 25125
7658 1 12 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.582 0.199 25125
7659 1 12 . 1 1 19 19 LEU H H 19 8.073 8.073 7.444 0.629 25125
7660 1 12 . 1 1 20 20 GLU N N 20 120.193 120.193 120.600 -0.407 25125
7661 1 12 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.213 -0.272 25125
7662 1 12 . 1 1 20 20 GLU C C 20 178.603 178.603 178.795 -0.192 25125
7663 1 12 . 1 1 20 20 GLU CA C 20 60.610 60.610 58.812 1.798 25125
7664 1 12 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.826 -0.738 25125
7665 1 12 . 1 1 20 20 GLU H H 20 8.387 8.387 7.837 0.550 25125
7666 1 12 . 1 1 21 21 ARG N N 21 116.076 116.076 118.719 -2.643 25125
7667 1 12 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.911 -0.018 25125
7668 1 12 . 1 1 21 21 ARG C C 21 179.676 179.676 178.287 1.389 25125
7669 1 12 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.798 -0.349 25125
7670 1 12 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.155 0.698 25125
7671 1 12 . 1 1 21 21 ARG H H 21 7.602 7.602 8.327 -0.725 25125
7672 1 12 . 1 1 22 22 ALA N N 22 122.405 122.405 122.045 0.360 25125
7673 1 12 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.037 0.060 25125
7674 1 12 . 1 1 22 22 ALA C C 22 180.501 180.501 178.958 1.543 25125
7675 1 12 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.569 0.009 25125
7676 1 12 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.112 1.120 25125
7677 1 12 . 1 1 22 22 ALA H H 22 7.992 7.992 7.463 0.529 25125
7678 1 12 . 1 1 23 23 LEU N N 23 118.026 118.026 117.470 0.556 25125
7679 1 12 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.170 -0.169 25125
7680 1 12 . 1 1 23 23 LEU C C 23 178.878 178.878 178.626 0.252 25125
7681 1 12 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.725 1.996 25125
7682 1 12 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.919 -2.264 25125
7683 1 12 . 1 1 23 23 LEU H H 23 8.825 8.825 8.103 0.722 25125
7684 1 12 . 1 1 24 24 ALA N N 24 122.159 122.159 122.294 -0.135 25125
7685 1 12 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.038 0.595 25125
7686 1 12 . 1 1 24 24 ALA C C 24 183.141 183.141 178.888 4.253 25125
7687 1 12 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.566 0.181 25125
7688 1 12 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.528 -0.826 25125
7689 1 12 . 1 1 24 24 ALA H H 24 8.125 8.125 8.167 -0.042 25125
7690 1 12 . 1 1 25 25 GLY N N 25 106.891 106.891 105.226 1.665 25125
7691 1 12 . 1 1 25 25 GLY C C 25 174.286 174.286 174.176 0.110 25125
7692 1 12 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.894 1.527 25125
7693 1 12 . 1 1 25 25 GLY H H 25 7.870 7.870 7.806 0.064 25125
7694 1 12 . 1 1 26 26 ALA N N 26 121.819 121.819 123.577 -1.758 25125
7695 1 12 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.572 -0.073 25125
7696 1 12 . 1 1 26 26 ALA C C 26 176.953 176.953 177.718 -0.765 25125
7697 1 12 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.334 0.185 25125
7698 1 12 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.027 -1.305 25125
7699 1 12 . 1 1 26 26 ALA H H 26 7.285 7.285 7.302 -0.017 25125
7700 1 12 . 1 1 27 27 GLY N N 27 106.197 106.197 105.761 0.436 25125
7701 1 12 . 1 1 27 27 GLY C C 27 173.956 173.956 173.574 0.382 25125
7702 1 12 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.932 0.384 25125
7703 1 12 . 1 1 27 27 GLY H H 27 7.824 7.824 8.405 -0.581 25125
7704 1 12 . 1 1 28 28 LEU N N 28 120.291 120.291 119.454 0.837 25125
7705 1 12 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.722 -0.147 25125
7706 1 12 . 1 1 28 28 LEU C C 28 175.881 175.881 176.264 -0.383 25125
7707 1 12 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.703 -0.060 25125
7708 1 12 . 1 1 28 28 LEU CB C 28 42.485 42.485 43.484 -0.999 25125
7709 1 12 . 1 1 28 28 LEU H H 28 7.678 7.678 7.194 0.484 25125
7710 1 12 . 1 1 29 29 THR N N 29 118.040 118.040 116.463 1.577 25125
7711 1 12 . 1 1 29 29 THR HA H 29 4.335 4.335 4.344 -0.009 25125
7712 1 12 . 1 1 29 29 THR C C 29 173.186 173.186 173.584 -0.398 25125
7713 1 12 . 1 1 29 29 THR CA C 29 62.479 62.479 63.092 -0.612 25125
7714 1 12 . 1 1 29 29 THR CB C 29 69.465 69.465 69.769 -0.304 25125
7715 1 12 . 1 1 29 29 THR H H 29 8.527 8.527 8.455 0.072 25125
7716 1 12 . 1 1 30 30 CYS N N 30 128.387 128.387 122.952 5.435 25125
7717 1 12 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.507 0.436 25125
7718 1 12 . 1 1 30 30 CYS C C 30 173.846 173.846 174.352 -0.506 25125
7719 1 12 . 1 1 30 30 CYS CA C 30 56.362 56.362 57.952 -1.590 25125
7720 1 12 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.178 -1.698 25125
7721 1 12 . 1 1 30 30 CYS H H 30 8.968 8.968 8.587 0.381 25125
7722 1 12 . 1 1 31 31 THR N N 31 126.481 126.481 123.961 2.520 25125
7723 1 12 . 1 1 31 31 THR HA H 31 4.433 4.433 4.462 -0.029 25125
7724 1 12 . 1 1 31 31 THR C C 31 172.609 172.609 173.303 -0.694 25125
7725 1 12 . 1 1 31 31 THR CA C 31 61.951 61.951 61.683 0.268 25125
7726 1 12 . 1 1 31 31 THR CB C 31 70.567 70.567 69.880 0.687 25125
7727 1 12 . 1 1 31 31 THR H H 31 8.614 8.614 8.608 0.006 25125
7728 1 12 . 1 1 32 32 THR N N 32 116.418 116.418 118.671 -2.253 25125
7729 1 12 . 1 1 32 32 THR HA H 32 5.330 5.330 5.260 0.070 25125
7730 1 12 . 1 1 32 32 THR C C 32 172.306 172.306 173.384 -1.078 25125
7731 1 12 . 1 1 32 32 THR CA C 32 59.173 59.173 60.386 -1.213 25125
7732 1 12 . 1 1 32 32 THR CB C 32 70.917 70.917 70.075 0.842 25125
7733 1 12 . 1 1 32 32 THR H H 32 8.299 8.299 8.338 -0.039 25125
7734 1 12 . 1 1 33 33 PHE N N 33 118.067 118.067 126.882 -8.815 25125
7735 1 12 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.627 0.016 25125
7736 1 12 . 1 1 33 33 PHE C C 33 174.341 174.341 175.662 -1.321 25125
7737 1 12 . 1 1 33 33 PHE CA C 33 56.532 56.532 57.804 -1.272 25125
7738 1 12 . 1 1 33 33 PHE CB C 33 43.309 43.309 40.263 3.046 25125
7739 1 12 . 1 1 33 33 PHE H H 33 8.890 8.890 8.572 0.318 25125
7740 1 12 . 1 1 34 34 GLU N N 34 118.499 118.499 112.667 5.832 25125
7741 1 12 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.547 -0.193 25125
7742 1 12 . 1 1 34 34 GLU C C 34 175.414 175.414 174.834 0.580 25125
7743 1 12 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.548 0.144 25125
7744 1 12 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.748 0.719 25125
7745 1 12 . 1 1 34 34 GLU H H 34 9.023 9.023 8.416 0.607 25125
7746 1 12 . 1 1 35 35 ASN N N 35 109.907 109.907 117.956 -8.049 25125
7747 1 12 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.986 -0.205 25125
7748 1 12 . 1 1 35 35 ASN C C 35 175.139 175.139 176.263 -1.124 25125
7749 1 12 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.309 -0.164 25125
7750 1 12 . 1 1 35 35 ASN CB C 35 41.323 41.323 41.323 -0.000 25125
7751 1 12 . 1 1 35 35 ASN H H 35 7.401 7.401 8.097 -0.696 25125
7752 1 12 . 1 1 36 36 GLY N N 36 106.739 106.739 110.427 -3.688 25125
7753 1 12 . 1 1 36 36 GLY C C 36 174.616 174.616 175.494 -0.878 25125
7754 1 12 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.862 0.154 25125
7755 1 12 . 1 1 36 36 GLY H H 36 8.877 8.877 8.884 -0.007 25125
7756 1 12 . 1 1 37 37 ASN N N 37 120.462 120.462 117.737 2.725 25125
7757 1 12 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.444 -0.082 25125
7758 1 12 . 1 1 37 37 ASN C C 37 178.686 178.686 176.630 2.056 25125
7759 1 12 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.999 0.533 25125
7760 1 12 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.458 -0.874 25125
7761 1 12 . 1 1 37 37 ASN H H 37 8.366 8.366 8.619 -0.253 25125
7762 1 12 . 1 1 38 38 GLU N N 38 119.360 119.360 117.320 2.040 25125
7763 1 12 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.267 -0.197 25125
7764 1 12 . 1 1 38 38 GLU C C 38 179.263 179.263 177.677 1.586 25125
7765 1 12 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.144 1.488 25125
7766 1 12 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.451 1.081 25125
7767 1 12 . 1 1 38 38 GLU H H 38 7.990 7.990 7.672 0.318 25125
7768 1 12 . 1 1 39 39 VAL N N 39 119.259 119.259 119.966 -0.707 25125
7769 1 12 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.339 -0.571 25125
7770 1 12 . 1 1 39 39 VAL C C 39 176.431 176.431 177.584 -1.153 25125
7771 1 12 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.215 0.728 25125
7772 1 12 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.724 -0.649 25125
7773 1 12 . 1 1 39 39 VAL H H 39 6.883 6.883 7.629 -0.746 25125
7774 1 12 . 1 1 40 40 LEU N N 40 119.627 119.627 121.339 -1.712 25125
7775 1 12 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.986 -0.059 25125
7776 1 12 . 1 1 40 40 LEU C C 40 179.538 179.538 178.043 1.495 25125
7777 1 12 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.199 -0.259 25125
7778 1 12 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.422 -0.354 25125
7779 1 12 . 1 1 40 40 LEU H H 40 7.692 7.692 8.452 -0.760 25125
7780 1 12 . 1 1 41 41 ALA N N 41 120.051 120.051 120.147 -0.096 25125
7781 1 12 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.152 -0.012 25125
7782 1 12 . 1 1 41 41 ALA C C 41 180.528 180.528 179.621 0.907 25125
7783 1 12 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.488 0.162 25125
7784 1 12 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.010 -0.144 25125
7785 1 12 . 1 1 41 41 ALA H H 41 7.553 7.553 7.970 -0.417 25125
7786 1 12 . 1 1 42 42 ALA N N 42 122.731 122.731 122.662 0.069 25125
7787 1 12 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.104 0.095 25125
7788 1 12 . 1 1 42 42 ALA C C 42 180.198 180.198 180.166 0.032 25125
7789 1 12 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.599 0.433 25125
7790 1 12 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.834 1.565 25125
7791 1 12 . 1 1 42 42 ALA H H 42 7.604 7.604 7.205 0.399 25125
7792 1 12 . 1 1 43 43 LEU N N 43 119.131 119.131 118.782 0.349 25125
7793 1 12 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.972 1.234 25125
7794 1 12 . 1 1 43 43 LEU C C 43 177.421 177.421 179.169 -1.748 25125
7795 1 12 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.488 -1.943 25125
7796 1 12 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.057 1.547 25125
7797 1 12 . 1 1 43 43 LEU H H 43 8.288 8.288 8.043 0.245 25125
7798 1 12 . 1 1 44 44 ALA N N 44 119.065 119.065 118.868 0.197 25125
7799 1 12 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.133 0.096 25125
7800 1 12 . 1 1 44 44 ALA C C 44 178.686 178.686 178.303 0.383 25125
7801 1 12 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.907 0.331 25125
7802 1 12 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.306 0.210 25125
7803 1 12 . 1 1 44 44 ALA H H 44 7.302 7.302 7.708 -0.406 25125
7804 1 12 . 1 1 45 45 SER N N 45 108.656 108.656 114.567 -5.911 25125
7805 1 12 . 1 1 45 45 SER HA H 45 4.742 4.742 4.377 0.365 25125
7806 1 12 . 1 1 45 45 SER C C 45 173.296 173.296 176.101 -2.805 25125
7807 1 12 . 1 1 45 45 SER CA C 45 58.656 58.656 60.995 -2.339 25125
7808 1 12 . 1 1 45 45 SER CB C 45 65.407 65.407 63.679 1.728 25125
7809 1 12 . 1 1 45 45 SER H H 45 7.728 7.728 8.186 -0.458 25125
7810 1 12 . 1 1 46 46 LYS N N 46 123.016 123.016 115.982 7.034 25125
7811 1 12 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.691 -0.105 25125
7812 1 12 . 1 1 46 46 LYS C C 46 172.719 172.719 175.723 -3.004 25125
7813 1 12 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.153 -0.640 25125
7814 1 12 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.335 1.890 25125
7815 1 12 . 1 1 46 46 LYS H H 46 8.101 8.101 8.205 -0.104 25125
7816 1 12 . 1 1 47 47 THR N N 47 111.780 111.780 113.429 -1.649 25125
7817 1 12 . 1 1 47 47 THR HA H 47 4.282 4.282 3.932 0.350 25125
7818 1 12 . 1 1 47 47 THR CA C 47 57.806 57.806 62.125 -4.319 25125
7819 1 12 . 1 1 47 47 THR CB C 47 70.594 70.594 67.593 3.001 25125
7820 1 12 . 1 1 47 47 THR H H 47 7.677 7.677 7.939 -0.262 25125
7821 1 12 . 1 1 48 48 PRO HA H 48 3.905 3.905 4.067 -0.162 25125
7822 1 12 . 1 1 48 48 PRO C C 48 172.966 172.966 175.657 -2.691 25125
7823 1 12 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.220 -1.355 25125
7824 1 12 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.496 -1.219 25125
7825 1 12 . 1 1 49 49 ASP N N 49 115.035 115.035 118.329 -3.294 25125
7826 1 12 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.787 -0.343 25125
7827 1 12 . 1 1 49 49 ASP C C 49 175.634 175.634 175.775 -0.141 25125
7828 1 12 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.209 1.238 25125
7829 1 12 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.436 0.076 25125
7830 1 12 . 1 1 49 49 ASP H H 49 8.502 8.502 8.027 0.475 25125
7831 1 12 . 1 1 50 50 VAL N N 50 112.082 112.082 114.779 -2.697 25125
7832 1 12 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.443 -0.163 25125
7833 1 12 . 1 1 50 50 VAL C C 50 171.454 171.454 172.928 -1.474 25125
7834 1 12 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.779 -1.217 25125
7835 1 12 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.548 0.088 25125
7836 1 12 . 1 1 50 50 VAL H H 50 7.173 7.173 7.042 0.131 25125
7837 1 12 . 1 1 51 51 LEU N N 51 128.247 128.247 125.174 3.073 25125
7838 1 12 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.358 -0.039 25125
7839 1 12 . 1 1 51 51 LEU C C 51 173.104 173.104 175.720 -2.616 25125
7840 1 12 . 1 1 51 51 LEU CA C 51 53.218 53.218 52.959 0.259 25125
7841 1 12 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.062 0.444 25125
7842 1 12 . 1 1 51 51 LEU H H 51 8.059 8.059 8.258 -0.199 25125
7843 1 12 . 1 1 52 52 LEU N N 52 128.407 128.407 119.482 8.925 25125
7844 1 12 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.875 0.626 25125
7845 1 12 . 1 1 52 52 LEU C C 52 175.414 175.414 176.163 -0.749 25125
7846 1 12 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.064 0.259 25125
7847 1 12 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.677 1.844 25125
7848 1 12 . 1 1 52 52 LEU H H 52 9.242 9.242 8.130 1.112 25125
7849 1 12 . 1 1 53 53 SER N N 53 114.946 114.946 117.014 -2.068 25125
7850 1 12 . 1 1 53 53 SER HA H 53 5.595 5.595 4.231 1.364 25125
7851 1 12 . 1 1 53 53 SER C C 53 174.644 174.644 174.436 0.208 25125
7852 1 12 . 1 1 53 53 SER CA C 53 55.954 55.954 58.474 -2.520 25125
7853 1 12 . 1 1 53 53 SER CB C 53 66.473 66.473 64.248 2.225 25125
7854 1 12 . 1 1 53 53 SER H H 53 8.695 8.695 8.040 0.655 25125
7855 1 12 . 1 1 54 54 ASP N N 54 128.341 128.341 129.046 -0.705 25125
7856 1 12 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.592 0.733 25125
7857 1 12 . 1 1 54 54 ASP C C 54 176.816 176.816 176.354 0.462 25125
7858 1 12 . 1 1 54 54 ASP CA C 54 54.493 54.493 54.386 0.107 25125
7859 1 12 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.082 0.246 25125
7860 1 12 . 1 1 54 54 ASP H H 54 7.886 7.886 7.968 -0.082 25125
7861 1 12 . 1 1 55 55 ILE N N 55 121.229 121.229 117.677 3.552 25125
7862 1 12 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.914 0.271 25125
7863 1 12 . 1 1 55 55 ILE C C 55 175.084 175.084 174.250 0.834 25125
7864 1 12 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.837 -0.296 25125
7865 1 12 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.951 3.078 25125
7866 1 12 . 1 1 55 55 ILE H H 55 8.722 8.722 7.971 0.751 25125
7867 1 12 . 1 1 56 56 ARG N N 56 124.188 124.188 122.822 1.366 25125
7868 1 12 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.554 -0.049 25125
7869 1 12 . 1 1 56 56 ARG C C 56 175.661 175.661 175.266 0.395 25125
7870 1 12 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.782 -0.341 25125
7871 1 12 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.793 -1.431 25125
7872 1 12 . 1 1 56 56 ARG H H 56 8.499 8.499 8.428 0.071 25125
7873 1 12 . 1 1 57 57 MET N N 57 122.581 122.581 120.288 2.293 25125
7874 1 12 . 1 1 57 57 MET HA H 57 4.821 4.821 5.209 -0.388 25125
7875 1 12 . 1 1 57 57 MET CA C 57 53.132 53.132 53.096 0.036 25125
7876 1 12 . 1 1 57 57 MET CB C 57 33.445 33.445 32.395 1.050 25125
7877 1 12 . 1 1 57 57 MET H H 57 7.956 7.956 7.592 0.364 25125
7878 1 12 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.343 0.050 25125
7879 1 12 . 1 1 58 58 PRO C C 58 177.806 177.806 177.113 0.693 25125
7880 1 12 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.704 -1.205 25125
7881 1 12 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.756 0.051 25125
7882 1 12 . 1 1 59 59 GLY N N 59 111.082 111.082 107.152 3.930 25125
7883 1 12 . 1 1 59 59 GLY C C 59 173.626 173.626 175.497 -1.871 25125
7884 1 12 . 1 1 59 59 GLY CA C 59 45.590 45.590 44.792 0.798 25125
7885 1 12 . 1 1 59 59 GLY H H 59 8.653 8.653 8.191 0.462 25125
7886 1 12 . 1 1 60 60 MET N N 60 120.052 120.052 120.039 0.013 25125
7887 1 12 . 1 1 60 60 MET HA H 60 4.525 4.525 4.260 0.265 25125
7888 1 12 . 1 1 60 60 MET C C 60 173.956 173.956 176.578 -2.622 25125
7889 1 12 . 1 1 60 60 MET CA C 60 55.047 55.047 56.539 -1.492 25125
7890 1 12 . 1 1 60 60 MET CB C 60 34.506 34.506 32.751 1.755 25125
7891 1 12 . 1 1 60 60 MET H H 60 7.968 7.968 8.108 -0.140 25125
7892 1 12 . 1 1 61 61 ASP N N 61 121.306 121.306 115.948 5.358 25125
7893 1 12 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.179 0.525 25125
7894 1 12 . 1 1 61 61 ASP C C 61 176.761 176.761 177.130 -0.369 25125
7895 1 12 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.123 -3.394 25125
7896 1 12 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.000 1.069 25125
7897 1 12 . 1 1 61 61 ASP H H 61 8.379 8.379 8.344 0.035 25125
7898 1 12 . 1 1 62 62 GLY N N 62 110.874 110.874 105.676 5.198 25125
7899 1 12 . 1 1 62 62 GLY C C 62 175.194 175.194 175.024 0.170 25125
7900 1 12 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.601 1.500 25125
7901 1 12 . 1 1 62 62 GLY H H 62 8.707 8.707 8.522 0.185 25125
7902 1 12 . 1 1 63 63 LEU N N 63 121.299 121.299 122.413 -1.114 25125
7903 1 12 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.544 -0.367 25125
7904 1 12 . 1 1 63 63 LEU C C 63 178.356 178.356 177.993 0.363 25125
7905 1 12 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.216 1.662 25125
7906 1 12 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.186 1.052 25125
7907 1 12 . 1 1 63 63 LEU H H 63 8.045 8.045 7.982 0.063 25125
7908 1 12 . 1 1 64 64 ALA N N 64 122.741 122.741 122.917 -0.176 25125
7909 1 12 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.036 0.026 25125
7910 1 12 . 1 1 64 64 ALA C C 64 180.556 180.556 178.772 1.784 25125
7911 1 12 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.234 -0.619 25125
7912 1 12 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.029 -0.029 25125
7913 1 12 . 1 1 64 64 ALA H H 64 7.859 7.859 8.025 -0.166 25125
7914 1 12 . 1 1 65 65 LEU N N 65 120.287 120.287 114.802 5.485 25125
7915 1 12 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.362 -0.300 25125
7916 1 12 . 1 1 65 65 LEU C C 65 178.191 178.191 178.436 -0.245 25125
7917 1 12 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.487 1.532 25125
7918 1 12 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.230 -0.992 25125
7919 1 12 . 1 1 65 65 LEU H H 65 8.022 8.022 7.586 0.436 25125
7920 1 12 . 1 1 66 66 LEU N N 66 118.738 118.738 120.145 -1.407 25125
7921 1 12 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.062 -0.204 25125
7922 1 12 . 1 1 66 66 LEU C C 66 178.631 178.631 178.806 -0.175 25125
7923 1 12 . 1 1 66 66 LEU CA C 66 58.346 58.346 58.183 0.163 25125
7924 1 12 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.699 -0.461 25125
7925 1 12 . 1 1 66 66 LEU H H 66 8.101 8.101 7.829 0.272 25125
7926 1 12 . 1 1 67 67 LYS N N 67 117.842 117.842 117.748 0.094 25125
7927 1 12 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.053 -0.071 25125
7928 1 12 . 1 1 67 67 LYS C C 67 179.263 179.263 178.711 0.552 25125
7929 1 12 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.932 0.865 25125
7930 1 12 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.787 0.420 25125
7931 1 12 . 1 1 67 67 LYS H H 67 8.010 8.010 8.107 -0.097 25125
7932 1 12 . 1 1 68 68 GLN N N 68 118.875 118.875 117.396 1.479 25125
7933 1 12 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.292 -0.236 25125
7934 1 12 . 1 1 68 68 GLN C C 68 179.071 179.071 177.663 1.408 25125
7935 1 12 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.102 0.971 25125
7936 1 12 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.909 -0.298 25125
7937 1 12 . 1 1 68 68 GLN H H 68 7.809 7.809 7.548 0.261 25125
7938 1 12 . 1 1 69 69 ILE N N 69 120.377 120.377 121.866 -1.489 25125
7939 1 12 . 1 1 69 69 ILE HA H 69 3.530 3.530 4.000 -0.470 25125
7940 1 12 . 1 1 69 69 ILE C C 69 177.421 177.421 178.414 -0.993 25125
7941 1 12 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.873 1.005 25125
7942 1 12 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.584 0.000 25125
7943 1 12 . 1 1 69 69 ILE H H 69 8.481 8.481 7.561 0.920 25125
7944 1 12 . 1 1 70 70 LYS N N 70 117.873 117.873 119.130 -1.257 25125
7945 1 12 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.148 -0.188 25125
7946 1 12 . 1 1 70 70 LYS C C 70 178.053 178.053 177.868 0.185 25125
7947 1 12 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.036 -1.948 25125
7948 1 12 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.372 -1.160 25125
7949 1 12 . 1 1 70 70 LYS H H 70 8.220 8.220 7.748 0.472 25125
7950 1 12 . 1 1 71 71 GLN N N 71 116.315 116.315 116.909 -0.594 25125
7951 1 12 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.204 -0.212 25125
7952 1 12 . 1 1 71 71 GLN C C 71 177.366 177.366 177.802 -0.436 25125
7953 1 12 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.003 0.187 25125
7954 1 12 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.102 -0.437 25125
7955 1 12 . 1 1 71 71 GLN H H 71 7.601 7.601 7.404 0.197 25125
7956 1 12 . 1 1 72 72 ARG N N 72 116.530 116.530 117.566 -1.036 25125
7957 1 12 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.131 -0.101 25125
7958 1 12 . 1 1 72 72 ARG C C 72 175.826 175.826 176.591 -0.765 25125
7959 1 12 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.530 -0.308 25125
7960 1 12 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.732 0.070 25125
7961 1 12 . 1 1 72 72 ARG H H 72 7.301 7.301 8.146 -0.845 25125
7962 1 12 . 1 1 73 73 HIS N N 73 116.755 116.755 116.550 0.205 25125
7963 1 12 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.031 -0.071 25125
7964 1 12 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.449 -0.231 25125
7965 1 12 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.115 0.447 25125
7966 1 12 . 1 1 73 73 HIS H H 73 8.331 8.331 7.927 0.404 25125
7967 1 12 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.416 0.083 25125
7968 1 12 . 1 1 74 74 PRO C C 74 178.466 178.466 177.316 1.150 25125
7969 1 12 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.811 0.302 25125
7970 1 12 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.114 -0.019 25125
7971 1 12 . 1 1 75 75 MET N N 75 114.814 114.814 116.797 -1.983 25125
7972 1 12 . 1 1 75 75 MET HA H 75 4.567 4.567 4.518 0.049 25125
7973 1 12 . 1 1 75 75 MET C C 75 176.046 176.046 175.824 0.222 25125
7974 1 12 . 1 1 75 75 MET CA C 75 54.266 54.266 55.333 -1.067 25125
7975 1 12 . 1 1 75 75 MET CB C 75 31.288 31.288 32.647 -1.359 25125
7976 1 12 . 1 1 75 75 MET H H 75 8.623 8.623 7.800 0.823 25125
7977 1 12 . 1 1 76 76 LEU N N 76 125.533 125.533 122.915 2.618 25125
7978 1 12 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.857 -0.552 25125
7979 1 12 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.093 2.019 25125
7980 1 12 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.269 0.416 25125
7981 1 12 . 1 1 76 76 LEU H H 76 7.337 7.337 7.260 0.077 25125
7982 1 12 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.496 -0.050 25125
7983 1 12 . 1 1 77 77 PRO C C 77 174.974 174.974 175.702 -0.728 25125
7984 1 12 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.546 0.281 25125
7985 1 12 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.203 -0.481 25125
7986 1 12 . 1 1 78 78 VAL N N 78 123.779 123.779 122.890 0.889 25125
7987 1 12 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.365 0.659 25125
7988 1 12 . 1 1 78 78 VAL C C 78 175.441 175.441 175.145 0.296 25125
7989 1 12 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.740 -0.547 25125
7990 1 12 . 1 1 78 78 VAL CB C 78 34.294 34.294 34.939 -0.645 25125
7991 1 12 . 1 1 78 78 VAL H H 78 8.317 8.317 8.124 0.193 25125
7992 1 12 . 1 1 79 79 ILE N N 79 128.334 128.334 121.801 6.533 25125
7993 1 12 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.664 -0.183 25125
7994 1 12 . 1 1 79 79 ILE C C 79 174.479 174.479 174.944 -0.465 25125
7995 1 12 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.074 -0.552 25125
7996 1 12 . 1 1 79 79 ILE CB C 79 39.963 39.963 40.244 -0.281 25125
7997 1 12 . 1 1 79 79 ILE H H 79 9.292 9.292 7.989 1.303 25125
7998 1 12 . 1 1 80 80 ILE N N 80 127.023 127.023 127.303 -0.280 25125
7999 1 12 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.187 0.672 25125
8000 1 12 . 1 1 80 80 ILE C C 80 175.029 175.029 174.618 0.411 25125
8001 1 12 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.183 -2.026 25125
8002 1 12 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.145 -1.201 25125
8003 1 12 . 1 1 80 80 ILE H H 80 7.938 7.938 8.897 -0.959 25125
8004 1 12 . 1 1 81 81 MET N N 81 127.255 127.255 126.974 0.281 25125
8005 1 12 . 1 1 81 81 MET HA H 81 5.521 5.521 5.476 0.045 25125
8006 1 12 . 1 1 81 81 MET C C 81 174.534 174.534 174.764 -0.230 25125
8007 1 12 . 1 1 81 81 MET CA C 81 53.513 53.513 54.005 -0.492 25125
8008 1 12 . 1 1 81 81 MET CB C 81 35.483 35.483 34.307 1.176 25125
8009 1 12 . 1 1 81 81 MET H H 81 8.801 8.801 8.074 0.727 25125
8010 1 12 . 1 1 82 82 THR N N 82 112.857 112.857 118.471 -5.614 25125
8011 1 12 . 1 1 82 82 THR HA H 82 4.914 4.914 4.552 0.362 25125
8012 1 12 . 1 1 82 82 THR C C 82 172.581 172.581 172.063 0.518 25125
8013 1 12 . 1 1 82 82 THR CA C 82 59.561 59.561 62.601 -3.040 25125
8014 1 12 . 1 1 82 82 THR CB C 82 69.989 69.989 70.426 -0.437 25125
8015 1 12 . 1 1 82 82 THR H H 82 7.623 7.623 7.748 -0.125 25125
8016 1 12 . 1 1 83 83 ALA N N 83 129.541 129.541 130.251 -0.710 25125
8017 1 12 . 1 1 83 83 ALA HA H 83 4.708 4.708 4.460 0.248 25125
8018 1 12 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.017 -0.479 25125
8019 1 12 . 1 1 83 83 ALA CB C 83 19.147 19.147 18.113 1.034 25125
8020 1 12 . 1 1 83 83 ALA H H 83 9.149 9.149 8.589 0.560 25125
8021 1 12 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.554 -0.282 25125
8022 1 12 . 1 1 84 84 HIS CA C 84 59.700 59.700 56.136 3.564 25125
8023 1 12 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.628 -0.611 25125
8024 1 12 . 1 1 85 85 SER N N 85 112.633 112.633 115.895 -3.262 25125
8025 1 12 . 1 1 85 85 SER HA H 85 4.198 4.198 4.381 -0.183 25125
8026 1 12 . 1 1 85 85 SER C C 85 174.506 174.506 172.942 1.564 25125
8027 1 12 . 1 1 85 85 SER CA C 85 59.823 59.823 58.917 0.906 25125
8028 1 12 . 1 1 85 85 SER CB C 85 62.693 62.693 63.197 -0.504 25125
8029 1 12 . 1 1 85 85 SER H H 85 8.224 8.224 7.640 0.584 25125
8030 1 12 . 1 1 86 86 ASP N N 86 120.886 120.886 120.552 0.334 25125
8031 1 12 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.470 0.466 25125
8032 1 12 . 1 1 86 86 ASP C C 86 175.881 175.881 176.388 -0.507 25125
8033 1 12 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.733 -0.800 25125
8034 1 12 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.558 1.445 25125
8035 1 12 . 1 1 86 86 ASP H H 86 7.608 7.608 7.725 -0.117 25125
8036 1 12 . 1 1 87 87 LEU N N 87 121.913 121.913 122.769 -0.856 25125
8037 1 12 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.675 0.244 25125
8038 1 12 . 1 1 87 87 LEU C C 87 177.586 177.586 177.917 -0.331 25125
8039 1 12 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.460 -0.623 25125
8040 1 12 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.544 0.771 25125
8041 1 12 . 1 1 87 87 LEU H H 87 7.498 7.498 8.261 -0.763 25125
8042 1 12 . 1 1 88 88 ASP N N 88 117.621 117.621 116.779 0.842 25125
8043 1 12 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.257 0.015 25125
8044 1 12 . 1 1 88 88 ASP C C 88 178.246 178.246 178.082 0.164 25125
8045 1 12 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.476 -0.666 25125
8046 1 12 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.540 -0.406 25125
8047 1 12 . 1 1 88 88 ASP H H 88 8.322 8.322 8.745 -0.423 25125
8048 1 12 . 1 1 89 89 ALA N N 89 122.874 122.874 121.487 1.387 25125
8049 1 12 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.322 -0.228 25125
8050 1 12 . 1 1 89 89 ALA C C 89 179.346 179.346 179.274 0.072 25125
8051 1 12 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.410 -0.257 25125
8052 1 12 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.710 -0.450 25125
8053 1 12 . 1 1 89 89 ALA H H 89 7.838 7.838 7.667 0.171 25125
8054 1 12 . 1 1 90 90 ALA N N 90 121.673 121.673 122.425 -0.752 25125
8055 1 12 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.089 -0.156 25125
8056 1 12 . 1 1 90 90 ALA C C 90 178.686 178.686 179.901 -1.215 25125
8057 1 12 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.241 -0.578 25125
8058 1 12 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.058 0.324 25125
8059 1 12 . 1 1 90 90 ALA H H 90 7.896 7.896 8.335 -0.439 25125
8060 1 12 . 1 1 91 91 VAL N N 91 117.749 117.749 117.172 0.577 25125
8061 1 12 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.964 -0.352 25125
8062 1 12 . 1 1 91 91 VAL C C 91 178.411 178.411 177.513 0.898 25125
8063 1 12 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.674 -1.493 25125
8064 1 12 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.606 0.031 25125
8065 1 12 . 1 1 91 91 VAL H H 91 8.098 8.098 8.755 -0.657 25125
8066 1 12 . 1 1 92 92 SER N N 92 114.942 114.942 114.127 0.815 25125
8067 1 12 . 1 1 92 92 SER HA H 92 4.231 4.231 4.515 -0.284 25125
8068 1 12 . 1 1 92 92 SER C C 92 175.826 175.826 175.858 -0.032 25125
8069 1 12 . 1 1 92 92 SER CA C 92 60.649 60.649 60.004 0.645 25125
8070 1 12 . 1 1 92 92 SER CB C 92 63.063 63.063 64.111 -1.048 25125
8071 1 12 . 1 1 92 92 SER H H 92 7.825 7.825 7.791 0.034 25125
8072 1 12 . 1 1 93 93 ALA N N 93 122.580 122.580 124.419 -1.839 25125
8073 1 12 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.239 -0.182 25125
8074 1 12 . 1 1 93 93 ALA C C 93 178.906 178.906 179.352 -0.446 25125
8075 1 12 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.693 -0.376 25125
8076 1 12 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.546 -0.249 25125
8077 1 12 . 1 1 93 93 ALA H H 93 7.861 7.861 8.565 -0.704 25125
8078 1 12 . 1 1 94 94 TYR N N 94 118.447 118.447 120.774 -2.327 25125
8079 1 12 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.262 0.230 25125
8080 1 12 . 1 1 94 94 TYR C C 94 177.393 177.393 177.511 -0.118 25125
8081 1 12 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.933 -0.682 25125
8082 1 12 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.329 0.105 25125
8083 1 12 . 1 1 94 94 TYR H H 94 8.150 8.150 7.766 0.384 25125
8084 1 12 . 1 1 95 95 GLN N N 95 119.787 119.787 115.791 3.996 25125
8085 1 12 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.024 0.019 25125
8086 1 12 . 1 1 95 95 GLN C C 95 176.981 176.981 176.526 0.455 25125
8087 1 12 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.862 0.604 25125
8088 1 12 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.797 0.291 25125
8089 1 12 . 1 1 95 95 GLN H H 95 8.271 8.271 7.827 0.444 25125
8090 1 12 . 1 1 96 96 GLN N N 96 117.878 117.878 118.678 -0.800 25125
8091 1 12 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.223 0.122 25125
8092 1 12 . 1 1 96 96 GLN C C 96 175.854 175.854 175.694 0.160 25125
8093 1 12 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.958 0.213 25125
8094 1 12 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.450 0.025 25125
8095 1 12 . 1 1 96 96 GLN H H 96 7.944 7.944 7.731 0.213 25125
8096 1 12 . 1 1 97 97 GLY N N 97 106.670 106.670 105.277 1.393 25125
8097 1 12 . 1 1 97 97 GLY C C 97 174.231 174.231 173.111 1.120 25125
8098 1 12 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.778 0.708 25125
8099 1 12 . 1 1 97 97 GLY H H 97 7.949 7.949 7.310 0.639 25125
8100 1 12 . 1 1 98 98 ALA N N 98 122.898 122.898 120.528 2.370 25125
8101 1 12 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.407 -0.032 25125
8102 1 12 . 1 1 98 98 ALA C C 98 175.991 175.991 175.514 0.477 25125
8103 1 12 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.025 2.143 25125
8104 1 12 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.475 -1.506 25125
8105 1 12 . 1 1 98 98 ALA H H 98 7.808 7.808 7.101 0.707 25125
8106 1 12 . 1 1 99 99 PHE N N 99 123.484 123.484 119.227 4.257 25125
8107 1 12 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.426 -0.076 25125
8108 1 12 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.388 2.068 25125
8109 1 12 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.107 -0.667 25125
8110 1 12 . 1 1 99 99 PHE H H 99 7.704 7.704 8.281 -0.577 25125
8111 1 12 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.877 0.627 25125
8112 1 12 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.847 -1.365 25125
8113 1 12 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.667 3.533 25125
8114 1 12 . 1 1 101 101 TYR N N 101 118.148 118.148 122.198 -4.050 25125
8115 1 12 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.441 1.007 25125
8116 1 12 . 1 1 101 101 TYR C C 101 173.159 173.159 174.648 -1.489 25125
8117 1 12 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.020 -0.033 25125
8118 1 12 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.908 2.990 25125
8119 1 12 . 1 1 101 101 TYR H H 101 9.546 9.546 7.354 2.192 25125
8120 1 12 . 1 1 102 102 LEU N N 102 124.100 124.100 119.567 4.533 25125
8121 1 12 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.081 -0.361 25125
8122 1 12 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.695 -1.196 25125
8123 1 12 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.246 -0.185 25125
8124 1 12 . 1 1 102 102 LEU H H 102 8.901 8.901 8.674 0.227 25125
8125 1 12 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.720 0.173 25125
8126 1 12 . 1 1 103 103 PRO C C 103 175.524 175.524 175.729 -0.205 25125
8127 1 12 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.388 -0.503 25125
8128 1 12 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.394 -0.587 25125
8129 1 12 . 1 1 104 104 LYS N N 104 118.848 118.848 120.449 -1.601 25125
8130 1 12 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.919 -0.406 25125
8131 1 12 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.032 0.186 25125
8132 1 12 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.021 1.723 25125
8133 1 12 . 1 1 104 104 LYS H H 104 8.279 8.279 8.209 0.070 25125
8134 1 12 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.305 -0.006 25125
8135 1 12 . 1 1 105 105 PRO C C 105 175.001 175.001 175.723 -0.722 25125
8136 1 12 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.892 -0.498 25125
8137 1 12 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.011 2.084 25125
8138 1 12 . 1 1 106 106 PHE N N 106 116.607 116.607 116.497 0.110 25125
8139 1 12 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.745 0.425 25125
8140 1 12 . 1 1 106 106 PHE C C 106 175.221 175.221 174.371 0.850 25125
8141 1 12 . 1 1 106 106 PHE CA C 106 53.435 53.435 54.923 -1.488 25125
8142 1 12 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.653 -0.253 25125
8143 1 12 . 1 1 106 106 PHE H H 106 7.457 7.457 7.293 0.164 25125
8144 1 12 . 1 1 107 107 ASP N N 107 122.214 122.214 122.423 -0.209 25125
8145 1 12 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.083 -0.251 25125
8146 1 12 . 1 1 107 107 ASP C C 107 177.778 177.778 177.178 0.600 25125
8147 1 12 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.752 -0.510 25125
8148 1 12 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.271 1.326 25125
8149 1 12 . 1 1 107 107 ASP H H 107 9.022 9.022 8.698 0.324 25125
8150 1 12 . 1 1 108 108 ILE N N 108 127.706 127.706 124.901 2.805 25125
8151 1 12 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.712 0.253 25125
8152 1 12 . 1 1 108 108 ILE C C 108 176.046 176.046 176.928 -0.882 25125
8153 1 12 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.856 -1.867 25125
8154 1 12 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.014 -0.260 25125
8155 1 12 . 1 1 108 108 ILE H H 108 8.860 8.860 8.794 0.066 25125
8156 1 12 . 1 1 109 109 ASP N N 109 120.058 120.058 119.049 1.009 25125
8157 1 12 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.322 0.066 25125
8158 1 12 . 1 1 109 109 ASP C C 109 179.786 179.786 178.800 0.986 25125
8159 1 12 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.787 -0.293 25125
8160 1 12 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.116 -0.062 25125
8161 1 12 . 1 1 109 109 ASP H H 109 8.079 8.079 8.678 -0.599 25125
8162 1 12 . 1 1 110 110 GLU N N 110 121.559 121.559 119.461 2.098 25125
8163 1 12 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.179 -0.111 25125
8164 1 12 . 1 1 110 110 GLU C C 110 179.043 179.043 178.264 0.779 25125
8165 1 12 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.438 0.388 25125
8166 1 12 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.857 -0.514 25125
8167 1 12 . 1 1 110 110 GLU H H 110 8.012 8.012 8.108 -0.096 25125
8168 1 12 . 1 1 111 111 ALA N N 111 122.267 122.267 123.522 -1.255 25125
8169 1 12 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.940 -0.186 25125
8170 1 12 . 1 1 111 111 ALA C C 111 178.493 178.493 179.523 -1.030 25125
8171 1 12 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.249 -0.077 25125
8172 1 12 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.113 0.269 25125
8173 1 12 . 1 1 111 111 ALA H H 111 7.897 7.897 7.814 0.083 25125
8174 1 12 . 1 1 112 112 VAL N N 112 116.527 116.527 117.653 -1.126 25125
8175 1 12 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.593 -0.426 25125
8176 1 12 . 1 1 112 112 VAL C C 112 177.201 177.201 177.984 -0.783 25125
8177 1 12 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.726 0.419 25125
8178 1 12 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.060 0.492 25125
8179 1 12 . 1 1 112 112 VAL H H 112 8.018 8.018 8.413 -0.395 25125
8180 1 12 . 1 1 113 113 ALA N N 113 119.895 119.895 120.893 -0.998 25125
8181 1 12 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.543 -0.405 25125
8182 1 12 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.382 0.450 25125
8183 1 12 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.547 -0.675 25125
8184 1 12 . 1 1 113 113 ALA H H 113 7.673 7.673 7.405 0.268 25125
8185 1 12 . 1 1 114 114 LEU N N 114 120.650 120.650 120.780 -0.130 25125
8186 1 12 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.116 -0.033 25125
8187 1 12 . 1 1 114 114 LEU C C 114 178.466 178.466 178.437 0.029 25125
8188 1 12 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.712 0.308 25125
8189 1 12 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.056 -0.223 25125
8190 1 12 . 1 1 114 114 LEU H H 114 7.840 7.840 7.687 0.153 25125
8191 1 12 . 1 1 115 115 VAL N N 115 119.480 119.480 118.636 0.844 25125
8192 1 12 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.442 -0.230 25125
8193 1 12 . 1 1 115 115 VAL C C 115 177.448 177.448 177.057 0.391 25125
8194 1 12 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.286 0.915 25125
8195 1 12 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.952 -1.280 25125
8196 1 12 . 1 1 115 115 VAL H H 115 7.824 7.824 8.219 -0.395 25125
8197 1 12 . 1 1 116 116 GLU N N 116 117.473 117.473 118.328 -0.855 25125
8198 1 12 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.849 -0.060 25125
8199 1 12 . 1 1 116 116 GLU C C 116 179.566 179.566 178.791 0.775 25125
8200 1 12 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.670 0.260 25125
8201 1 12 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.124 -0.028 25125
8202 1 12 . 1 1 116 116 GLU H H 116 8.465 8.465 7.712 0.753 25125
8203 1 12 . 1 1 117 117 ARG N N 117 120.128 120.128 118.394 1.734 25125
8204 1 12 . 1 1 117 117 ARG HA H 117 4.064 4.064 3.992 0.072 25125
8205 1 12 . 1 1 117 117 ARG C C 117 178.438 178.438 178.137 0.301 25125
8206 1 12 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.734 0.544 25125
8207 1 12 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.759 0.518 25125
8208 1 12 . 1 1 117 117 ARG H H 117 8.012 8.012 7.661 0.351 25125
8209 1 12 . 1 1 118 118 ALA N N 118 122.270 122.270 121.733 0.537 25125
8210 1 12 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.695 -0.239 25125
8211 1 12 . 1 1 118 118 ALA C C 118 178.741 178.741 179.068 -0.327 25125
8212 1 12 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.343 0.235 25125
8213 1 12 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.136 0.022 25125
8214 1 12 . 1 1 118 118 ALA H H 118 7.958 7.958 7.261 0.697 25125
8215 1 12 . 1 1 119 119 ILE N N 119 115.269 115.269 116.207 -0.938 25125
8216 1 12 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.437 0.291 25125
8217 1 12 . 1 1 119 119 ILE C C 119 177.366 177.366 177.220 0.146 25125
8218 1 12 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.180 -0.511 25125
8219 1 12 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.017 -0.219 25125
8220 1 12 . 1 1 119 119 ILE H H 119 7.753 7.753 7.485 0.268 25125
8221 1 12 . 1 1 120 120 SER N N 120 115.135 115.135 114.245 0.890 25125
8222 1 12 . 1 1 120 120 SER HA H 120 4.275 4.275 4.534 -0.259 25125
8223 1 12 . 1 1 120 120 SER C C 120 175.084 175.084 175.489 -0.405 25125
8224 1 12 . 1 1 120 120 SER CA C 120 59.816 59.816 59.629 0.187 25125
8225 1 12 . 1 1 120 120 SER CB C 120 63.380 63.380 63.815 -0.435 25125
8226 1 12 . 1 1 120 120 SER H H 120 7.816 7.816 7.673 0.143 25125
8227 1 12 . 1 1 121 121 HIS N N 121 119.908 119.908 122.153 -2.245 25125
8228 1 12 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.132 0.290 25125
8229 1 12 . 1 1 121 121 HIS C C 121 175.029 175.029 176.194 -1.165 25125
8230 1 12 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.577 -2.341 25125
8231 1 12 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.746 -0.318 25125
8232 1 12 . 1 1 121 121 HIS H H 121 7.910 7.910 7.627 0.283 25125
8233 1 12 . 1 1 122 122 TYR N N 122 118.880 118.880 116.799 2.081 25125
8234 1 12 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.300 0.126 25125
8235 1 12 . 1 1 122 122 TYR C C 122 175.276 175.276 177.972 -2.696 25125
8236 1 12 . 1 1 122 122 TYR CA C 122 58.449 58.449 60.290 -1.841 25125
8237 1 12 . 1 1 122 122 TYR CB C 122 38.604 38.604 37.290 1.314 25125
8238 1 12 . 1 1 122 122 TYR H H 122 7.766 7.766 7.746 0.020 25125
8239 1 12 . 1 1 123 123 GLN N N 123 121.479 121.479 117.571 3.908 25125
8240 1 12 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.175 0.095 25125
8241 1 12 . 1 1 123 123 GLN C C 123 174.534 174.534 175.959 -1.425 25125
8242 1 12 . 1 1 123 123 GLN CA C 123 55.512 55.512 56.675 -1.163 25125
8243 1 12 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.173 0.595 25125
8244 1 12 . 1 1 123 123 GLN H H 123 7.878 7.878 8.033 -0.155 25125
8245 1 13 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.762 -0.329 25125
8246 1 13 . 1 1 2 2 GLN CA C 2 55.564 55.564 57.377 -1.812 25125
8247 1 13 . 1 1 2 2 GLN CB C 2 29.600 29.600 29.451 0.149 25125
8248 1 13 . 1 1 3 3 ARG N N 3 121.252 121.252 121.109 0.143 25125
8249 1 13 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.455 -0.090 25125
8250 1 13 . 1 1 3 3 ARG C C 3 175.634 175.634 175.328 0.306 25125
8251 1 13 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.186 -0.195 25125
8252 1 13 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.481 0.816 25125
8253 1 13 . 1 1 3 3 ARG H H 3 8.429 8.429 8.764 -0.335 25125
8254 1 13 . 1 1 4 4 GLY N N 4 107.663 107.663 109.581 -1.918 25125
8255 1 13 . 1 1 4 4 GLY C C 4 171.041 171.041 173.791 -2.750 25125
8256 1 13 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.814 0.502 25125
8257 1 13 . 1 1 4 4 GLY H H 4 7.963 7.963 8.030 -0.067 25125
8258 1 13 . 1 1 5 5 ILE N N 5 122.603 122.603 126.407 -3.804 25125
8259 1 13 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.050 0.649 25125
8260 1 13 . 1 1 5 5 ILE C C 5 175.359 175.359 174.847 0.512 25125
8261 1 13 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.911 -1.301 25125
8262 1 13 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.077 0.499 25125
8263 1 13 . 1 1 5 5 ILE H H 5 9.610 9.610 7.956 1.654 25125
8264 1 13 . 1 1 6 6 VAL N N 6 127.905 127.905 126.571 1.334 25125
8265 1 13 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.932 -0.120 25125
8266 1 13 . 1 1 6 6 VAL C C 6 174.204 174.204 175.581 -1.377 25125
8267 1 13 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.828 -1.269 25125
8268 1 13 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.610 0.916 25125
8269 1 13 . 1 1 6 6 VAL H H 6 9.090 9.090 7.900 1.190 25125
8270 1 13 . 1 1 7 7 TRP N N 7 127.467 127.467 128.573 -1.106 25125
8271 1 13 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.276 1.178 25125
8272 1 13 . 1 1 7 7 TRP C C 7 175.056 175.056 175.398 -0.342 25125
8273 1 13 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.317 -1.439 25125
8274 1 13 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.181 0.953 25125
8275 1 13 . 1 1 7 7 TRP H H 7 8.497 8.497 8.560 -0.063 25125
8276 1 13 . 1 1 8 8 VAL N N 8 122.068 122.068 118.101 3.967 25125
8277 1 13 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.482 0.604 25125
8278 1 13 . 1 1 8 8 VAL C C 8 173.874 173.874 173.847 0.027 25125
8279 1 13 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.183 -0.697 25125
8280 1 13 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.210 -0.495 25125
8281 1 13 . 1 1 8 8 VAL H H 8 8.583 8.583 9.340 -0.757 25125
8282 1 13 . 1 1 9 9 VAL N N 9 127.733 127.733 124.597 3.136 25125
8283 1 13 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.641 0.320 25125
8284 1 13 . 1 1 9 9 VAL C C 9 173.131 173.131 173.429 -0.298 25125
8285 1 13 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.124 -0.449 25125
8286 1 13 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.730 -1.819 25125
8287 1 13 . 1 1 9 9 VAL H H 9 9.107 9.107 8.251 0.856 25125
8288 1 13 . 1 1 10 10 ASP N N 10 124.306 124.306 126.555 -2.249 25125
8289 1 13 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.020 -0.451 25125
8290 1 13 . 1 1 10 10 ASP C C 10 175.029 175.029 174.152 0.877 25125
8291 1 13 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.527 1.220 25125
8292 1 13 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.597 0.512 25125
8293 1 13 . 1 1 10 10 ASP H H 10 7.775 7.775 8.108 -0.333 25125
8294 1 13 . 1 1 11 11 ASP N N 11 126.714 126.714 117.646 9.068 25125
8295 1 13 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.933 -0.398 25125
8296 1 13 . 1 1 11 11 ASP C C 11 175.689 175.689 174.690 0.999 25125
8297 1 13 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.594 2.124 25125
8298 1 13 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.951 -0.877 25125
8299 1 13 . 1 1 11 11 ASP H H 11 9.033 9.033 8.615 0.418 25125
8300 1 13 . 1 1 12 12 ASP N N 12 121.877 121.877 118.971 2.906 25125
8301 1 13 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.886 -0.240 25125
8302 1 13 . 1 1 12 12 ASP C C 12 177.036 177.036 176.704 0.332 25125
8303 1 13 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.432 -0.129 25125
8304 1 13 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.452 -2.288 25125
8305 1 13 . 1 1 12 12 ASP H H 12 9.570 9.570 8.117 1.453 25125
8306 1 13 . 1 1 13 13 SER N N 13 123.799 123.799 117.865 5.934 25125
8307 1 13 . 1 1 13 13 SER HA H 13 3.761 3.761 4.302 -0.541 25125
8308 1 13 . 1 1 13 13 SER C C 13 176.156 176.156 175.957 0.199 25125
8309 1 13 . 1 1 13 13 SER CA C 13 61.186 61.186 61.427 -0.241 25125
8310 1 13 . 1 1 13 13 SER CB C 13 62.749 62.749 63.415 -0.666 25125
8311 1 13 . 1 1 13 13 SER H H 13 8.850 8.850 8.803 0.047 25125
8312 1 13 . 1 1 14 14 SER N N 14 119.123 119.123 116.280 2.843 25125
8313 1 13 . 1 1 14 14 SER HA H 14 4.361 4.361 4.369 -0.008 25125
8314 1 13 . 1 1 14 14 SER C C 14 176.404 176.404 176.627 -0.223 25125
8315 1 13 . 1 1 14 14 SER CA C 14 61.730 61.730 61.519 0.211 25125
8316 1 13 . 1 1 14 14 SER CB C 14 62.548 62.548 62.673 -0.126 25125
8317 1 13 . 1 1 14 14 SER H H 14 8.531 8.531 8.715 -0.184 25125
8318 1 13 . 1 1 15 15 ILE N N 15 123.637 123.637 122.051 1.586 25125
8319 1 13 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.888 0.057 25125
8320 1 13 . 1 1 15 15 ILE C C 15 177.861 177.861 177.672 0.189 25125
8321 1 13 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.421 -2.221 25125
8322 1 13 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.509 -0.623 25125
8323 1 13 . 1 1 15 15 ILE H H 15 7.206 7.206 8.267 -1.061 25125
8324 1 13 . 1 1 16 16 ARG N N 16 116.694 116.694 117.568 -0.874 25125
8325 1 13 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.192 -0.469 25125
8326 1 13 . 1 1 16 16 ARG C C 16 177.448 177.448 177.760 -0.312 25125
8327 1 13 . 1 1 16 16 ARG CA C 16 61.573 61.573 59.036 2.537 25125
8328 1 13 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.155 0.291 25125
8329 1 13 . 1 1 16 16 ARG H H 16 7.562 7.562 7.614 -0.052 25125
8330 1 13 . 1 1 17 17 TRP N N 17 116.848 116.848 123.148 -6.300 25125
8331 1 13 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.474 -0.003 25125
8332 1 13 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.644 -0.204 25125
8333 1 13 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.742 -0.450 25125
8334 1 13 . 1 1 17 17 TRP H H 17 8.005 8.005 7.528 0.477 25125
8335 1 13 . 1 1 18 18 VAL N N 18 116.964 116.964 117.283 -0.319 25125
8336 1 13 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.903 0.772 25125
8337 1 13 . 1 1 18 18 VAL C C 18 179.181 179.181 176.977 2.204 25125
8338 1 13 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.804 -0.096 25125
8339 1 13 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.737 0.900 25125
8340 1 13 . 1 1 18 18 VAL H H 18 8.110 8.110 8.627 -0.517 25125
8341 1 13 . 1 1 19 19 LEU N N 19 120.186 120.186 119.039 1.147 25125
8342 1 13 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.242 -0.167 25125
8343 1 13 . 1 1 19 19 LEU C C 19 177.778 177.778 178.777 -0.999 25125
8344 1 13 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.989 0.833 25125
8345 1 13 . 1 1 19 19 LEU CB C 19 41.781 41.781 42.031 -0.249 25125
8346 1 13 . 1 1 19 19 LEU H H 19 8.073 8.073 7.564 0.509 25125
8347 1 13 . 1 1 20 20 GLU N N 20 120.193 120.193 120.753 -0.560 25125
8348 1 13 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.927 0.014 25125
8349 1 13 . 1 1 20 20 GLU C C 20 178.603 178.603 178.882 -0.279 25125
8350 1 13 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.994 0.616 25125
8351 1 13 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.742 -0.654 25125
8352 1 13 . 1 1 20 20 GLU H H 20 8.387 8.387 7.931 0.456 25125
8353 1 13 . 1 1 21 21 ARG N N 21 116.076 116.076 117.233 -1.157 25125
8354 1 13 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.888 0.005 25125
8355 1 13 . 1 1 21 21 ARG C C 21 179.676 179.676 178.246 1.430 25125
8356 1 13 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.814 -0.365 25125
8357 1 13 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.225 0.628 25125
8358 1 13 . 1 1 21 21 ARG H H 21 7.602 7.602 8.246 -0.644 25125
8359 1 13 . 1 1 22 22 ALA N N 22 122.405 122.405 122.617 -0.212 25125
8360 1 13 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.092 0.005 25125
8361 1 13 . 1 1 22 22 ALA C C 22 180.501 180.501 179.574 0.927 25125
8362 1 13 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.348 0.230 25125
8363 1 13 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.319 0.913 25125
8364 1 13 . 1 1 22 22 ALA H H 22 7.992 7.992 7.348 0.644 25125
8365 1 13 . 1 1 23 23 LEU N N 23 118.026 118.026 118.647 -0.621 25125
8366 1 13 . 1 1 23 23 LEU HA H 23 4.001 4.001 3.975 0.026 25125
8367 1 13 . 1 1 23 23 LEU C C 23 178.878 178.878 179.215 -0.337 25125
8368 1 13 . 1 1 23 23 LEU CA C 23 57.721 57.721 57.290 0.431 25125
8369 1 13 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.720 -2.065 25125
8370 1 13 . 1 1 23 23 LEU H H 23 8.825 8.825 7.559 1.266 25125
8371 1 13 . 1 1 24 24 ALA N N 24 122.159 122.159 119.625 2.534 25125
8372 1 13 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.044 0.589 25125
8373 1 13 . 1 1 24 24 ALA C C 24 183.141 183.141 178.531 4.610 25125
8374 1 13 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.254 0.493 25125
8375 1 13 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.630 -0.928 25125
8376 1 13 . 1 1 24 24 ALA H H 24 8.125 8.125 8.155 -0.030 25125
8377 1 13 . 1 1 25 25 GLY N N 25 106.891 106.891 105.440 1.451 25125
8378 1 13 . 1 1 25 25 GLY C C 25 174.286 174.286 174.138 0.148 25125
8379 1 13 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.947 1.474 25125
8380 1 13 . 1 1 25 25 GLY H H 25 7.870 7.870 7.693 0.177 25125
8381 1 13 . 1 1 26 26 ALA N N 26 121.819 121.819 122.924 -1.105 25125
8382 1 13 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.629 -0.130 25125
8383 1 13 . 1 1 26 26 ALA C C 26 176.953 176.953 177.943 -0.990 25125
8384 1 13 . 1 1 26 26 ALA CA C 26 51.519 51.519 50.735 0.784 25125
8385 1 13 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.263 -1.541 25125
8386 1 13 . 1 1 26 26 ALA H H 26 7.285 7.285 7.385 -0.100 25125
8387 1 13 . 1 1 27 27 GLY N N 27 106.197 106.197 108.167 -1.970 25125
8388 1 13 . 1 1 27 27 GLY C C 27 173.956 173.956 173.105 0.851 25125
8389 1 13 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.855 0.461 25125
8390 1 13 . 1 1 27 27 GLY H H 27 7.824 7.824 8.714 -0.890 25125
8391 1 13 . 1 1 28 28 LEU N N 28 120.291 120.291 118.213 2.078 25125
8392 1 13 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.714 -0.139 25125
8393 1 13 . 1 1 28 28 LEU C C 28 175.881 175.881 176.222 -0.341 25125
8394 1 13 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.285 0.359 25125
8395 1 13 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.735 -2.250 25125
8396 1 13 . 1 1 28 28 LEU H H 28 7.678 7.678 7.356 0.322 25125
8397 1 13 . 1 1 29 29 THR N N 29 118.040 118.040 116.849 1.191 25125
8398 1 13 . 1 1 29 29 THR HA H 29 4.335 4.335 4.277 0.058 25125
8399 1 13 . 1 1 29 29 THR C C 29 173.186 173.186 174.549 -1.363 25125
8400 1 13 . 1 1 29 29 THR CA C 29 62.479 62.479 64.236 -1.757 25125
8401 1 13 . 1 1 29 29 THR CB C 29 69.465 69.465 69.581 -0.116 25125
8402 1 13 . 1 1 29 29 THR H H 29 8.527 8.527 8.474 0.053 25125
8403 1 13 . 1 1 30 30 CYS N N 30 128.387 128.387 123.994 4.393 25125
8404 1 13 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.342 0.601 25125
8405 1 13 . 1 1 30 30 CYS C C 30 173.846 173.846 174.091 -0.245 25125
8406 1 13 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.008 0.354 25125
8407 1 13 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.196 0.284 25125
8408 1 13 . 1 1 30 30 CYS H H 30 8.968 8.968 8.457 0.511 25125
8409 1 13 . 1 1 31 31 THR N N 31 126.481 126.481 124.202 2.279 25125
8410 1 13 . 1 1 31 31 THR HA H 31 4.433 4.433 4.390 0.043 25125
8411 1 13 . 1 1 31 31 THR C C 31 172.609 172.609 173.393 -0.784 25125
8412 1 13 . 1 1 31 31 THR CA C 31 61.951 61.951 61.491 0.460 25125
8413 1 13 . 1 1 31 31 THR CB C 31 70.567 70.567 69.498 1.069 25125
8414 1 13 . 1 1 31 31 THR H H 31 8.614 8.614 8.392 0.222 25125
8415 1 13 . 1 1 32 32 THR N N 32 116.418 116.418 118.127 -1.709 25125
8416 1 13 . 1 1 32 32 THR HA H 32 5.330 5.330 5.157 0.173 25125
8417 1 13 . 1 1 32 32 THR C C 32 172.306 172.306 173.131 -0.825 25125
8418 1 13 . 1 1 32 32 THR CA C 32 59.173 59.173 60.429 -1.256 25125
8419 1 13 . 1 1 32 32 THR CB C 32 70.917 70.917 69.915 1.002 25125
8420 1 13 . 1 1 32 32 THR H H 32 8.299 8.299 8.276 0.023 25125
8421 1 13 . 1 1 33 33 PHE N N 33 118.067 118.067 124.039 -5.972 25125
8422 1 13 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.747 -0.104 25125
8423 1 13 . 1 1 33 33 PHE C C 33 174.341 174.341 176.378 -2.037 25125
8424 1 13 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.581 -0.049 25125
8425 1 13 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.150 1.159 25125
8426 1 13 . 1 1 33 33 PHE H H 33 8.890 8.890 8.753 0.137 25125
8427 1 13 . 1 1 34 34 GLU N N 34 118.499 118.499 117.873 0.626 25125
8428 1 13 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.778 -0.424 25125
8429 1 13 . 1 1 34 34 GLU C C 34 175.414 175.414 175.720 -0.306 25125
8430 1 13 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.019 0.673 25125
8431 1 13 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.811 -0.344 25125
8432 1 13 . 1 1 34 34 GLU H H 34 9.023 9.023 9.005 0.018 25125
8433 1 13 . 1 1 35 35 ASN N N 35 109.907 109.907 119.153 -9.246 25125
8434 1 13 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.935 -0.154 25125
8435 1 13 . 1 1 35 35 ASN C C 35 175.139 175.139 176.509 -1.370 25125
8436 1 13 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.156 -0.010 25125
8437 1 13 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.506 1.817 25125
8438 1 13 . 1 1 35 35 ASN H H 35 7.401 7.401 7.912 -0.511 25125
8439 1 13 . 1 1 36 36 GLY N N 36 106.739 106.739 112.912 -6.173 25125
8440 1 13 . 1 1 36 36 GLY C C 36 174.616 174.616 175.971 -1.355 25125
8441 1 13 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.305 -0.289 25125
8442 1 13 . 1 1 36 36 GLY H H 36 8.877 8.877 9.001 -0.124 25125
8443 1 13 . 1 1 37 37 ASN N N 37 120.462 120.462 119.866 0.596 25125
8444 1 13 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.457 -0.095 25125
8445 1 13 . 1 1 37 37 ASN C C 37 178.686 178.686 176.692 1.994 25125
8446 1 13 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.643 0.889 25125
8447 1 13 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.069 -0.485 25125
8448 1 13 . 1 1 37 37 ASN H H 37 8.366 8.366 8.691 -0.325 25125
8449 1 13 . 1 1 38 38 GLU N N 38 119.360 119.360 118.555 0.805 25125
8450 1 13 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.164 -0.094 25125
8451 1 13 . 1 1 38 38 GLU C C 38 179.263 179.263 178.067 1.196 25125
8452 1 13 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.316 0.316 25125
8453 1 13 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.748 0.784 25125
8454 1 13 . 1 1 38 38 GLU H H 38 7.990 7.990 7.868 0.122 25125
8455 1 13 . 1 1 39 39 VAL N N 39 119.259 119.259 118.939 0.320 25125
8456 1 13 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.208 -0.440 25125
8457 1 13 . 1 1 39 39 VAL C C 39 176.431 176.431 177.609 -1.178 25125
8458 1 13 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.058 0.885 25125
8459 1 13 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.382 -0.307 25125
8460 1 13 . 1 1 39 39 VAL H H 39 6.883 6.883 7.808 -0.925 25125
8461 1 13 . 1 1 40 40 LEU N N 40 119.627 119.627 122.135 -2.508 25125
8462 1 13 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.986 -0.059 25125
8463 1 13 . 1 1 40 40 LEU C C 40 179.538 179.538 178.330 1.208 25125
8464 1 13 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.246 -0.306 25125
8465 1 13 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.170 -0.102 25125
8466 1 13 . 1 1 40 40 LEU H H 40 7.692 7.692 7.525 0.167 25125
8467 1 13 . 1 1 41 41 ALA N N 41 120.051 120.051 119.868 0.183 25125
8468 1 13 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.119 0.021 25125
8469 1 13 . 1 1 41 41 ALA C C 41 180.528 180.528 179.502 1.026 25125
8470 1 13 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.470 0.180 25125
8471 1 13 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.923 -0.057 25125
8472 1 13 . 1 1 41 41 ALA H H 41 7.553 7.553 7.579 -0.026 25125
8473 1 13 . 1 1 42 42 ALA N N 42 122.731 122.731 122.181 0.550 25125
8474 1 13 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.114 0.085 25125
8475 1 13 . 1 1 42 42 ALA C C 42 180.198 180.198 180.163 0.035 25125
8476 1 13 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.622 0.410 25125
8477 1 13 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.051 1.348 25125
8478 1 13 . 1 1 42 42 ALA H H 42 7.604 7.604 7.571 0.033 25125
8479 1 13 . 1 1 43 43 LEU N N 43 119.131 119.131 118.478 0.653 25125
8480 1 13 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.993 1.213 25125
8481 1 13 . 1 1 43 43 LEU C C 43 177.421 177.421 179.005 -1.584 25125
8482 1 13 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.456 -1.911 25125
8483 1 13 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.055 1.549 25125
8484 1 13 . 1 1 43 43 LEU H H 43 8.288 8.288 8.075 0.213 25125
8485 1 13 . 1 1 44 44 ALA N N 44 119.065 119.065 118.158 0.907 25125
8486 1 13 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.180 0.049 25125
8487 1 13 . 1 1 44 44 ALA C C 44 178.686 178.686 178.246 0.440 25125
8488 1 13 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.665 0.573 25125
8489 1 13 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.411 0.105 25125
8490 1 13 . 1 1 44 44 ALA H H 44 7.302 7.302 7.686 -0.384 25125
8491 1 13 . 1 1 45 45 SER N N 45 108.656 108.656 114.720 -6.064 25125
8492 1 13 . 1 1 45 45 SER HA H 45 4.742 4.742 4.396 0.346 25125
8493 1 13 . 1 1 45 45 SER C C 45 173.296 173.296 176.093 -2.797 25125
8494 1 13 . 1 1 45 45 SER CA C 45 58.656 58.656 61.177 -2.521 25125
8495 1 13 . 1 1 45 45 SER CB C 45 65.407 65.407 63.812 1.595 25125
8496 1 13 . 1 1 45 45 SER H H 45 7.728 7.728 8.049 -0.321 25125
8497 1 13 . 1 1 46 46 LYS N N 46 123.016 123.016 116.526 6.490 25125
8498 1 13 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.653 -0.067 25125
8499 1 13 . 1 1 46 46 LYS C C 46 172.719 172.719 175.983 -3.264 25125
8500 1 13 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.336 -0.824 25125
8501 1 13 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.903 2.322 25125
8502 1 13 . 1 1 46 46 LYS H H 46 8.101 8.101 7.969 0.132 25125
8503 1 13 . 1 1 47 47 THR N N 47 111.780 111.780 113.451 -1.671 25125
8504 1 13 . 1 1 47 47 THR HA H 47 4.282 4.282 3.880 0.402 25125
8505 1 13 . 1 1 47 47 THR CA C 47 57.806 57.806 62.259 -4.453 25125
8506 1 13 . 1 1 47 47 THR CB C 47 70.594 70.594 67.999 2.595 25125
8507 1 13 . 1 1 47 47 THR H H 47 7.677 7.677 7.785 -0.108 25125
8508 1 13 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.956 -0.051 25125
8509 1 13 . 1 1 48 48 PRO C C 48 172.966 172.966 175.452 -2.486 25125
8510 1 13 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.438 -1.573 25125
8511 1 13 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.538 -1.262 25125
8512 1 13 . 1 1 49 49 ASP N N 49 115.035 115.035 117.787 -2.752 25125
8513 1 13 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.839 -0.395 25125
8514 1 13 . 1 1 49 49 ASP C C 49 175.634 175.634 175.478 0.156 25125
8515 1 13 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.710 1.737 25125
8516 1 13 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.609 -1.097 25125
8517 1 13 . 1 1 49 49 ASP H H 49 8.502 8.502 8.211 0.291 25125
8518 1 13 . 1 1 50 50 VAL N N 50 112.082 112.082 116.581 -4.499 25125
8519 1 13 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.476 -0.196 25125
8520 1 13 . 1 1 50 50 VAL C C 50 171.454 171.454 172.807 -1.353 25125
8521 1 13 . 1 1 50 50 VAL CA C 50 60.562 60.562 62.052 -1.490 25125
8522 1 13 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.686 -0.050 25125
8523 1 13 . 1 1 50 50 VAL H H 50 7.173 7.173 7.115 0.058 25125
8524 1 13 . 1 1 51 51 LEU N N 51 128.247 128.247 127.172 1.075 25125
8525 1 13 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.381 -0.062 25125
8526 1 13 . 1 1 51 51 LEU C C 51 173.104 173.104 174.969 -1.865 25125
8527 1 13 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.049 0.169 25125
8528 1 13 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.668 -0.162 25125
8529 1 13 . 1 1 51 51 LEU H H 51 8.059 8.059 7.968 0.091 25125
8530 1 13 . 1 1 52 52 LEU N N 52 128.407 128.407 122.162 6.245 25125
8531 1 13 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.996 0.505 25125
8532 1 13 . 1 1 52 52 LEU C C 52 175.414 175.414 175.942 -0.528 25125
8533 1 13 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.148 0.176 25125
8534 1 13 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.730 1.791 25125
8535 1 13 . 1 1 52 52 LEU H H 52 9.242 9.242 8.296 0.946 25125
8536 1 13 . 1 1 53 53 SER N N 53 114.946 114.946 117.966 -3.020 25125
8537 1 13 . 1 1 53 53 SER HA H 53 5.595 5.595 4.427 1.168 25125
8538 1 13 . 1 1 53 53 SER C C 53 174.644 174.644 174.272 0.372 25125
8539 1 13 . 1 1 53 53 SER CA C 53 55.954 55.954 58.781 -2.827 25125
8540 1 13 . 1 1 53 53 SER CB C 53 66.473 66.473 64.676 1.797 25125
8541 1 13 . 1 1 53 53 SER H H 53 8.695 8.695 7.940 0.755 25125
8542 1 13 . 1 1 54 54 ASP N N 54 128.341 128.341 125.267 3.074 25125
8543 1 13 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.747 0.578 25125
8544 1 13 . 1 1 54 54 ASP C C 54 176.816 176.816 176.009 0.807 25125
8545 1 13 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.595 0.898 25125
8546 1 13 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.556 -0.228 25125
8547 1 13 . 1 1 54 54 ASP H H 54 7.886 7.886 8.479 -0.593 25125
8548 1 13 . 1 1 55 55 ILE N N 55 121.229 121.229 117.618 3.611 25125
8549 1 13 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.752 0.433 25125
8550 1 13 . 1 1 55 55 ILE C C 55 175.084 175.084 174.254 0.830 25125
8551 1 13 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.245 -0.702 25125
8552 1 13 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.065 2.964 25125
8553 1 13 . 1 1 55 55 ILE H H 55 8.722 8.722 8.115 0.607 25125
8554 1 13 . 1 1 56 56 ARG N N 56 124.188 124.188 121.797 2.391 25125
8555 1 13 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.482 0.023 25125
8556 1 13 . 1 1 56 56 ARG C C 56 175.661 175.661 174.974 0.687 25125
8557 1 13 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.875 -0.434 25125
8558 1 13 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.796 -1.434 25125
8559 1 13 . 1 1 56 56 ARG H H 56 8.499 8.499 8.482 0.017 25125
8560 1 13 . 1 1 57 57 MET N N 57 122.581 122.581 118.033 4.548 25125
8561 1 13 . 1 1 57 57 MET HA H 57 4.821 4.821 5.194 -0.373 25125
8562 1 13 . 1 1 57 57 MET CA C 57 53.132 53.132 52.196 0.936 25125
8563 1 13 . 1 1 57 57 MET CB C 57 33.445 33.445 33.023 0.423 25125
8564 1 13 . 1 1 57 57 MET H H 57 7.956 7.956 7.953 0.003 25125
8565 1 13 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.436 -0.043 25125
8566 1 13 . 1 1 58 58 PRO C C 58 177.806 177.806 177.976 -0.170 25125
8567 1 13 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.354 -0.855 25125
8568 1 13 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.999 -0.192 25125
8569 1 13 . 1 1 59 59 GLY N N 59 111.082 111.082 109.676 1.406 25125
8570 1 13 . 1 1 59 59 GLY C C 59 173.626 173.626 174.378 -0.752 25125
8571 1 13 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.858 -0.268 25125
8572 1 13 . 1 1 59 59 GLY H H 59 8.653 8.653 8.280 0.373 25125
8573 1 13 . 1 1 60 60 MET N N 60 120.052 120.052 118.960 1.092 25125
8574 1 13 . 1 1 60 60 MET HA H 60 4.525 4.525 4.512 0.013 25125
8575 1 13 . 1 1 60 60 MET C C 60 173.956 173.956 176.610 -2.654 25125
8576 1 13 . 1 1 60 60 MET CA C 60 55.047 55.047 54.599 0.448 25125
8577 1 13 . 1 1 60 60 MET CB C 60 34.506 34.506 33.970 0.536 25125
8578 1 13 . 1 1 60 60 MET H H 60 7.968 7.968 8.050 -0.082 25125
8579 1 13 . 1 1 61 61 ASP N N 61 121.306 121.306 121.071 0.235 25125
8580 1 13 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.390 0.314 25125
8581 1 13 . 1 1 61 61 ASP C C 61 176.761 176.761 176.934 -0.173 25125
8582 1 13 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.974 -2.244 25125
8583 1 13 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.169 -0.099 25125
8584 1 13 . 1 1 61 61 ASP H H 61 8.379 8.379 8.671 -0.292 25125
8585 1 13 . 1 1 62 62 GLY N N 62 110.874 110.874 105.313 5.561 25125
8586 1 13 . 1 1 62 62 GLY C C 62 175.194 175.194 175.218 -0.024 25125
8587 1 13 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.184 1.917 25125
8588 1 13 . 1 1 62 62 GLY H H 62 8.707 8.707 7.852 0.855 25125
8589 1 13 . 1 1 63 63 LEU N N 63 121.299 121.299 120.361 0.938 25125
8590 1 13 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.417 -0.240 25125
8591 1 13 . 1 1 63 63 LEU C C 63 178.356 178.356 178.138 0.218 25125
8592 1 13 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.748 1.131 25125
8593 1 13 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.185 1.053 25125
8594 1 13 . 1 1 63 63 LEU H H 63 8.045 8.045 8.089 -0.044 25125
8595 1 13 . 1 1 64 64 ALA N N 64 122.741 122.741 123.507 -0.766 25125
8596 1 13 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.097 -0.035 25125
8597 1 13 . 1 1 64 64 ALA C C 64 180.556 180.556 179.202 1.354 25125
8598 1 13 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.135 -0.520 25125
8599 1 13 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.833 0.167 25125
8600 1 13 . 1 1 64 64 ALA H H 64 7.859 7.859 8.163 -0.304 25125
8601 1 13 . 1 1 65 65 LEU N N 65 120.287 120.287 113.807 6.480 25125
8602 1 13 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.346 -0.284 25125
8603 1 13 . 1 1 65 65 LEU C C 65 178.191 178.191 178.463 -0.272 25125
8604 1 13 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.558 1.461 25125
8605 1 13 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.975 -0.737 25125
8606 1 13 . 1 1 65 65 LEU H H 65 8.022 8.022 7.702 0.320 25125
8607 1 13 . 1 1 66 66 LEU N N 66 118.738 118.738 120.318 -1.580 25125
8608 1 13 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.186 -0.328 25125
8609 1 13 . 1 1 66 66 LEU C C 66 178.631 178.631 178.803 -0.172 25125
8610 1 13 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.298 2.048 25125
8611 1 13 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.828 0.410 25125
8612 1 13 . 1 1 66 66 LEU H H 66 8.101 8.101 7.656 0.445 25125
8613 1 13 . 1 1 67 67 LYS N N 67 117.842 117.842 118.157 -0.315 25125
8614 1 13 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.089 -0.107 25125
8615 1 13 . 1 1 67 67 LYS C C 67 179.263 179.263 178.705 0.558 25125
8616 1 13 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.095 0.702 25125
8617 1 13 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.297 -0.090 25125
8618 1 13 . 1 1 67 67 LYS H H 67 8.010 8.010 8.336 -0.326 25125
8619 1 13 . 1 1 68 68 GLN N N 68 118.875 118.875 117.852 1.023 25125
8620 1 13 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.281 -0.225 25125
8621 1 13 . 1 1 68 68 GLN C C 68 179.071 179.071 177.416 1.655 25125
8622 1 13 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.306 0.767 25125
8623 1 13 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.520 0.091 25125
8624 1 13 . 1 1 68 68 GLN H H 68 7.809 7.809 7.521 0.288 25125
8625 1 13 . 1 1 69 69 ILE N N 69 120.377 120.377 120.990 -0.613 25125
8626 1 13 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.939 -0.409 25125
8627 1 13 . 1 1 69 69 ILE C C 69 177.421 177.421 177.900 -0.479 25125
8628 1 13 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.586 1.292 25125
8629 1 13 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.694 -0.110 25125
8630 1 13 . 1 1 69 69 ILE H H 69 8.481 8.481 7.547 0.934 25125
8631 1 13 . 1 1 70 70 LYS N N 70 117.873 117.873 117.606 0.267 25125
8632 1 13 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.129 -0.169 25125
8633 1 13 . 1 1 70 70 LYS C C 70 178.053 178.053 178.169 -0.116 25125
8634 1 13 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.666 -1.578 25125
8635 1 13 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.991 -0.779 25125
8636 1 13 . 1 1 70 70 LYS H H 70 8.220 8.220 7.774 0.446 25125
8637 1 13 . 1 1 71 71 GLN N N 71 116.315 116.315 117.650 -1.335 25125
8638 1 13 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.184 -0.192 25125
8639 1 13 . 1 1 71 71 GLN C C 71 177.366 177.366 178.100 -0.734 25125
8640 1 13 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.935 0.255 25125
8641 1 13 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.920 -0.255 25125
8642 1 13 . 1 1 71 71 GLN H H 71 7.601 7.601 7.880 -0.279 25125
8643 1 13 . 1 1 72 72 ARG N N 72 116.530 116.530 116.894 -0.364 25125
8644 1 13 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.053 -0.023 25125
8645 1 13 . 1 1 72 72 ARG C C 72 175.826 175.826 176.033 -0.207 25125
8646 1 13 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.367 -0.145 25125
8647 1 13 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.646 0.156 25125
8648 1 13 . 1 1 72 72 ARG H H 72 7.301 7.301 8.174 -0.873 25125
8649 1 13 . 1 1 73 73 HIS N N 73 116.755 116.755 116.001 0.754 25125
8650 1 13 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.847 0.113 25125
8651 1 13 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.263 -0.045 25125
8652 1 13 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.493 0.069 25125
8653 1 13 . 1 1 73 73 HIS H H 73 8.331 8.331 7.810 0.521 25125
8654 1 13 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.370 0.129 25125
8655 1 13 . 1 1 74 74 PRO C C 74 178.466 178.466 177.826 0.640 25125
8656 1 13 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.115 -0.002 25125
8657 1 13 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.442 -0.347 25125
8658 1 13 . 1 1 75 75 MET N N 75 114.814 114.814 114.111 0.703 25125
8659 1 13 . 1 1 75 75 MET HA H 75 4.567 4.567 4.567 0.000 25125
8660 1 13 . 1 1 75 75 MET C C 75 176.046 176.046 175.719 0.327 25125
8661 1 13 . 1 1 75 75 MET CA C 75 54.266 54.266 55.995 -1.729 25125
8662 1 13 . 1 1 75 75 MET CB C 75 31.288 31.288 32.054 -0.766 25125
8663 1 13 . 1 1 75 75 MET H H 75 8.623 8.623 7.702 0.921 25125
8664 1 13 . 1 1 76 76 LEU N N 76 125.533 125.533 123.638 1.895 25125
8665 1 13 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.786 -0.481 25125
8666 1 13 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.540 1.572 25125
8667 1 13 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.574 0.111 25125
8668 1 13 . 1 1 76 76 LEU H H 76 7.337 7.337 7.117 0.220 25125
8669 1 13 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.465 -0.019 25125
8670 1 13 . 1 1 77 77 PRO C C 77 174.974 174.974 175.244 -0.270 25125
8671 1 13 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.453 0.374 25125
8672 1 13 . 1 1 77 77 PRO CB C 77 31.722 31.722 31.837 -0.115 25125
8673 1 13 . 1 1 78 78 VAL N N 78 123.779 123.779 122.384 1.395 25125
8674 1 13 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.739 0.285 25125
8675 1 13 . 1 1 78 78 VAL C C 78 175.441 175.441 175.304 0.137 25125
8676 1 13 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.580 -0.387 25125
8677 1 13 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.728 -1.434 25125
8678 1 13 . 1 1 78 78 VAL H H 78 8.317 8.317 8.178 0.139 25125
8679 1 13 . 1 1 79 79 ILE N N 79 128.334 128.334 121.368 6.966 25125
8680 1 13 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.776 -0.295 25125
8681 1 13 . 1 1 79 79 ILE C C 79 174.479 174.479 174.510 -0.031 25125
8682 1 13 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.862 -0.341 25125
8683 1 13 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.868 -1.905 25125
8684 1 13 . 1 1 79 79 ILE H H 79 9.292 9.292 8.565 0.727 25125
8685 1 13 . 1 1 80 80 ILE N N 80 127.023 127.023 123.169 3.854 25125
8686 1 13 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.405 0.454 25125
8687 1 13 . 1 1 80 80 ILE C C 80 175.029 175.029 175.167 -0.138 25125
8688 1 13 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.304 -1.147 25125
8689 1 13 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.771 -1.827 25125
8690 1 13 . 1 1 80 80 ILE H H 80 7.938 7.938 8.701 -0.763 25125
8691 1 13 . 1 1 81 81 MET N N 81 127.255 127.255 125.840 1.415 25125
8692 1 13 . 1 1 81 81 MET HA H 81 5.521 5.521 5.270 0.251 25125
8693 1 13 . 1 1 81 81 MET C C 81 174.534 174.534 175.233 -0.699 25125
8694 1 13 . 1 1 81 81 MET CA C 81 53.513 53.513 55.300 -1.787 25125
8695 1 13 . 1 1 81 81 MET CB C 81 35.483 35.483 35.240 0.243 25125
8696 1 13 . 1 1 81 81 MET H H 81 8.801 8.801 8.337 0.464 25125
8697 1 13 . 1 1 82 82 THR N N 82 112.857 112.857 118.371 -5.514 25125
8698 1 13 . 1 1 82 82 THR HA H 82 4.914 4.914 4.456 0.458 25125
8699 1 13 . 1 1 82 82 THR C C 82 172.581 172.581 173.099 -0.518 25125
8700 1 13 . 1 1 82 82 THR CA C 82 59.561 59.561 62.589 -3.028 25125
8701 1 13 . 1 1 82 82 THR CB C 82 69.989 69.989 69.284 0.704 25125
8702 1 13 . 1 1 82 82 THR H H 82 7.623 7.623 8.427 -0.804 25125
8703 1 13 . 1 1 83 83 ALA N N 83 129.541 129.541 122.975 6.566 25125
8704 1 13 . 1 1 83 83 ALA HA H 83 4.708 4.708 4.131 0.577 25125
8705 1 13 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.138 -0.600 25125
8706 1 13 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.787 2.360 25125
8707 1 13 . 1 1 83 83 ALA H H 83 9.149 9.149 8.092 1.057 25125
8708 1 13 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.747 -0.475 25125
8709 1 13 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.571 4.129 25125
8710 1 13 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.499 -0.481 25125
8711 1 13 . 1 1 85 85 SER N N 85 112.633 112.633 119.919 -7.286 25125
8712 1 13 . 1 1 85 85 SER HA H 85 4.198 4.198 3.869 0.329 25125
8713 1 13 . 1 1 85 85 SER C C 85 174.506 174.506 175.818 -1.312 25125
8714 1 13 . 1 1 85 85 SER CA C 85 59.823 59.823 61.513 -1.690 25125
8715 1 13 . 1 1 85 85 SER CB C 85 62.693 62.693 62.538 0.155 25125
8716 1 13 . 1 1 85 85 SER H H 85 8.224 8.224 8.928 -0.704 25125
8717 1 13 . 1 1 86 86 ASP N N 86 120.886 120.886 121.111 -0.225 25125
8718 1 13 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.220 0.716 25125
8719 1 13 . 1 1 86 86 ASP C C 86 175.881 175.881 178.046 -2.165 25125
8720 1 13 . 1 1 86 86 ASP CA C 86 53.934 53.934 56.913 -2.979 25125
8721 1 13 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.494 1.509 25125
8722 1 13 . 1 1 86 86 ASP H H 86 7.608 7.608 8.104 -0.496 25125
8723 1 13 . 1 1 87 87 LEU N N 87 121.913 121.913 119.670 2.243 25125
8724 1 13 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.709 0.210 25125
8725 1 13 . 1 1 87 87 LEU C C 87 177.586 177.586 178.288 -0.702 25125
8726 1 13 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.133 -0.296 25125
8727 1 13 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.728 0.586 25125
8728 1 13 . 1 1 87 87 LEU H H 87 7.498 7.498 7.981 -0.483 25125
8729 1 13 . 1 1 88 88 ASP N N 88 117.621 117.621 118.568 -0.947 25125
8730 1 13 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.197 0.075 25125
8731 1 13 . 1 1 88 88 ASP C C 88 178.246 178.246 177.923 0.323 25125
8732 1 13 . 1 1 88 88 ASP CA C 88 56.810 56.810 58.135 -1.325 25125
8733 1 13 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.550 -0.416 25125
8734 1 13 . 1 1 88 88 ASP H H 88 8.322 8.322 7.646 0.676 25125
8735 1 13 . 1 1 89 89 ALA N N 89 122.874 122.874 120.476 2.398 25125
8736 1 13 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.406 -0.312 25125
8737 1 13 . 1 1 89 89 ALA C C 89 179.346 179.346 179.261 0.085 25125
8738 1 13 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.438 -0.285 25125
8739 1 13 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.746 -0.485 25125
8740 1 13 . 1 1 89 89 ALA H H 89 7.838 7.838 7.449 0.389 25125
8741 1 13 . 1 1 90 90 ALA N N 90 121.673 121.673 121.699 -0.026 25125
8742 1 13 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.087 -0.154 25125
8743 1 13 . 1 1 90 90 ALA C C 90 178.686 178.686 179.789 -1.103 25125
8744 1 13 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.734 -0.071 25125
8745 1 13 . 1 1 90 90 ALA CB C 90 18.382 18.382 17.904 0.478 25125
8746 1 13 . 1 1 90 90 ALA H H 90 7.896 7.896 8.196 -0.300 25125
8747 1 13 . 1 1 91 91 VAL N N 91 117.749 117.749 118.706 -0.957 25125
8748 1 13 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.949 -0.337 25125
8749 1 13 . 1 1 91 91 VAL C C 91 178.411 178.411 178.550 -0.139 25125
8750 1 13 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.850 -1.669 25125
8751 1 13 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.904 -0.267 25125
8752 1 13 . 1 1 91 91 VAL H H 91 8.098 8.098 8.438 -0.340 25125
8753 1 13 . 1 1 92 92 SER N N 92 114.942 114.942 113.325 1.617 25125
8754 1 13 . 1 1 92 92 SER HA H 92 4.231 4.231 4.390 -0.159 25125
8755 1 13 . 1 1 92 92 SER C C 92 175.826 175.826 174.876 0.950 25125
8756 1 13 . 1 1 92 92 SER CA C 92 60.649 60.649 59.986 0.663 25125
8757 1 13 . 1 1 92 92 SER CB C 92 63.063 63.063 63.221 -0.158 25125
8758 1 13 . 1 1 92 92 SER H H 92 7.825 7.825 7.981 -0.156 25125
8759 1 13 . 1 1 93 93 ALA N N 93 122.580 122.580 123.007 -0.427 25125
8760 1 13 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.270 -0.213 25125
8761 1 13 . 1 1 93 93 ALA C C 93 178.906 178.906 179.208 -0.302 25125
8762 1 13 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.291 0.026 25125
8763 1 13 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.901 -0.604 25125
8764 1 13 . 1 1 93 93 ALA H H 93 7.861 7.861 8.254 -0.393 25125
8765 1 13 . 1 1 94 94 TYR N N 94 118.447 118.447 121.121 -2.674 25125
8766 1 13 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.210 0.282 25125
8767 1 13 . 1 1 94 94 TYR C C 94 177.393 177.393 176.865 0.528 25125
8768 1 13 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.711 -1.460 25125
8769 1 13 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.571 -0.137 25125
8770 1 13 . 1 1 94 94 TYR H H 94 8.150 8.150 7.883 0.267 25125
8771 1 13 . 1 1 95 95 GLN N N 95 119.787 119.787 115.889 3.898 25125
8772 1 13 . 1 1 95 95 GLN HA H 95 4.043 4.043 3.988 0.055 25125
8773 1 13 . 1 1 95 95 GLN C C 95 176.981 176.981 176.808 0.173 25125
8774 1 13 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.855 0.611 25125
8775 1 13 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.455 0.634 25125
8776 1 13 . 1 1 95 95 GLN H H 95 8.271 8.271 7.824 0.447 25125
8777 1 13 . 1 1 96 96 GLN N N 96 117.878 117.878 119.438 -1.560 25125
8778 1 13 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.258 0.087 25125
8779 1 13 . 1 1 96 96 GLN C C 96 175.854 175.854 176.227 -0.373 25125
8780 1 13 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.943 0.228 25125
8781 1 13 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.625 0.850 25125
8782 1 13 . 1 1 96 96 GLN H H 96 7.944 7.944 7.950 -0.006 25125
8783 1 13 . 1 1 97 97 GLY N N 97 106.670 106.670 105.863 0.807 25125
8784 1 13 . 1 1 97 97 GLY C C 97 174.231 174.231 172.875 1.356 25125
8785 1 13 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.820 0.666 25125
8786 1 13 . 1 1 97 97 GLY H H 97 7.949 7.949 7.449 0.500 25125
8787 1 13 . 1 1 98 98 ALA N N 98 122.898 122.898 120.262 2.636 25125
8788 1 13 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.542 -0.167 25125
8789 1 13 . 1 1 98 98 ALA C C 98 175.991 175.991 175.456 0.535 25125
8790 1 13 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.874 2.294 25125
8791 1 13 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.714 -1.745 25125
8792 1 13 . 1 1 98 98 ALA H H 98 7.808 7.808 7.140 0.668 25125
8793 1 13 . 1 1 99 99 PHE N N 99 123.484 123.484 119.150 4.334 25125
8794 1 13 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.357 -0.007 25125
8795 1 13 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.465 1.991 25125
8796 1 13 . 1 1 99 99 PHE CB C 99 40.440 40.440 40.962 -0.522 25125
8797 1 13 . 1 1 99 99 PHE H H 99 7.704 7.704 8.219 -0.515 25125
8798 1 13 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.906 0.598 25125
8799 1 13 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.024 -1.542 25125
8800 1 13 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.002 4.198 25125
8801 1 13 . 1 1 101 101 TYR N N 101 118.148 118.148 121.524 -3.376 25125
8802 1 13 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.476 0.972 25125
8803 1 13 . 1 1 101 101 TYR C C 101 173.159 173.159 174.459 -1.300 25125
8804 1 13 . 1 1 101 101 TYR CA C 101 55.987 55.987 57.004 -1.017 25125
8805 1 13 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.933 2.965 25125
8806 1 13 . 1 1 101 101 TYR H H 101 9.546 9.546 7.446 2.100 25125
8807 1 13 . 1 1 102 102 LEU N N 102 124.100 124.100 120.436 3.664 25125
8808 1 13 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.065 -0.345 25125
8809 1 13 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.654 -1.155 25125
8810 1 13 . 1 1 102 102 LEU CB C 102 45.061 45.061 44.822 0.239 25125
8811 1 13 . 1 1 102 102 LEU H H 102 8.901 8.901 8.801 0.100 25125
8812 1 13 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.535 0.358 25125
8813 1 13 . 1 1 103 103 PRO C C 103 175.524 175.524 175.625 -0.101 25125
8814 1 13 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.830 -0.945 25125
8815 1 13 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.494 -0.687 25125
8816 1 13 . 1 1 104 104 LYS N N 104 118.848 118.848 121.161 -2.313 25125
8817 1 13 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.912 -0.399 25125
8818 1 13 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.203 0.015 25125
8819 1 13 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.443 2.301 25125
8820 1 13 . 1 1 104 104 LYS H H 104 8.279 8.279 8.081 0.198 25125
8821 1 13 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.423 -0.124 25125
8822 1 13 . 1 1 105 105 PRO C C 105 175.001 175.001 175.107 -0.106 25125
8823 1 13 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.673 -0.279 25125
8824 1 13 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.013 2.082 25125
8825 1 13 . 1 1 106 106 PHE N N 106 116.607 116.607 115.079 1.528 25125
8826 1 13 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.797 0.373 25125
8827 1 13 . 1 1 106 106 PHE C C 106 175.221 175.221 174.353 0.868 25125
8828 1 13 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.768 -2.333 25125
8829 1 13 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.092 0.308 25125
8830 1 13 . 1 1 106 106 PHE H H 106 7.457 7.457 7.423 0.034 25125
8831 1 13 . 1 1 107 107 ASP N N 107 122.214 122.214 122.530 -0.316 25125
8832 1 13 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.061 -0.230 25125
8833 1 13 . 1 1 107 107 ASP C C 107 177.778 177.778 176.894 0.884 25125
8834 1 13 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.606 -0.364 25125
8835 1 13 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.084 1.513 25125
8836 1 13 . 1 1 107 107 ASP H H 107 9.022 9.022 8.701 0.321 25125
8837 1 13 . 1 1 108 108 ILE N N 108 127.706 127.706 124.840 2.866 25125
8838 1 13 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.768 0.197 25125
8839 1 13 . 1 1 108 108 ILE C C 108 176.046 176.046 176.996 -0.950 25125
8840 1 13 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.147 -2.158 25125
8841 1 13 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.060 -0.306 25125
8842 1 13 . 1 1 108 108 ILE H H 108 8.860 8.860 8.810 0.050 25125
8843 1 13 . 1 1 109 109 ASP N N 109 120.058 120.058 118.381 1.677 25125
8844 1 13 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.341 0.047 25125
8845 1 13 . 1 1 109 109 ASP C C 109 179.786 179.786 179.024 0.762 25125
8846 1 13 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.765 -0.271 25125
8847 1 13 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.903 0.152 25125
8848 1 13 . 1 1 109 109 ASP H H 109 8.079 8.079 8.728 -0.649 25125
8849 1 13 . 1 1 110 110 GLU N N 110 121.559 121.559 119.893 1.666 25125
8850 1 13 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.208 -0.140 25125
8851 1 13 . 1 1 110 110 GLU C C 110 179.043 179.043 178.361 0.682 25125
8852 1 13 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.336 0.490 25125
8853 1 13 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.816 -0.473 25125
8854 1 13 . 1 1 110 110 GLU H H 110 8.012 8.012 8.037 -0.025 25125
8855 1 13 . 1 1 111 111 ALA N N 111 122.267 122.267 123.343 -1.076 25125
8856 1 13 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.965 -0.211 25125
8857 1 13 . 1 1 111 111 ALA C C 111 178.493 178.493 179.476 -0.983 25125
8858 1 13 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.085 0.087 25125
8859 1 13 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.264 0.118 25125
8860 1 13 . 1 1 111 111 ALA H H 111 7.897 7.897 7.950 -0.053 25125
8861 1 13 . 1 1 112 112 VAL N N 112 116.527 116.527 118.020 -1.493 25125
8862 1 13 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.492 -0.325 25125
8863 1 13 . 1 1 112 112 VAL C C 112 177.201 177.201 177.738 -0.537 25125
8864 1 13 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.661 0.484 25125
8865 1 13 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.682 -0.130 25125
8866 1 13 . 1 1 112 112 VAL H H 112 8.018 8.018 8.450 -0.432 25125
8867 1 13 . 1 1 113 113 ALA N N 113 119.895 119.895 120.969 -1.074 25125
8868 1 13 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.237 -0.099 25125
8869 1 13 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.371 0.461 25125
8870 1 13 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.530 -0.658 25125
8871 1 13 . 1 1 113 113 ALA H H 113 7.673 7.673 7.430 0.243 25125
8872 1 13 . 1 1 114 114 LEU N N 114 120.650 120.650 120.405 0.245 25125
8873 1 13 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.163 -0.080 25125
8874 1 13 . 1 1 114 114 LEU C C 114 178.466 178.466 178.351 0.115 25125
8875 1 13 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.518 0.502 25125
8876 1 13 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.135 -0.302 25125
8877 1 13 . 1 1 114 114 LEU H H 114 7.840 7.840 7.618 0.222 25125
8878 1 13 . 1 1 115 115 VAL N N 115 119.480 119.480 118.197 1.283 25125
8879 1 13 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.503 -0.291 25125
8880 1 13 . 1 1 115 115 VAL C C 115 177.448 177.448 176.910 0.538 25125
8881 1 13 . 1 1 115 115 VAL CA C 115 67.201 67.201 64.534 2.667 25125
8882 1 13 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.763 -1.091 25125
8883 1 13 . 1 1 115 115 VAL H H 115 7.824 7.824 7.735 0.089 25125
8884 1 13 . 1 1 116 116 GLU N N 116 117.473 117.473 120.373 -2.900 25125
8885 1 13 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.828 -0.039 25125
8886 1 13 . 1 1 116 116 GLU C C 116 179.566 179.566 178.904 0.662 25125
8887 1 13 . 1 1 116 116 GLU CA C 116 59.930 59.930 60.397 -0.467 25125
8888 1 13 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.371 -0.275 25125
8889 1 13 . 1 1 116 116 GLU H H 116 8.465 8.465 7.493 0.972 25125
8890 1 13 . 1 1 117 117 ARG N N 117 120.128 120.128 117.072 3.056 25125
8891 1 13 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.033 0.031 25125
8892 1 13 . 1 1 117 117 ARG C C 117 178.438 178.438 178.296 0.142 25125
8893 1 13 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.705 0.573 25125
8894 1 13 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.602 0.675 25125
8895 1 13 . 1 1 117 117 ARG H H 117 8.012 8.012 7.703 0.309 25125
8896 1 13 . 1 1 118 118 ALA N N 118 122.270 122.270 121.414 0.856 25125
8897 1 13 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.845 -0.389 25125
8898 1 13 . 1 1 118 118 ALA C C 118 178.741 178.741 178.638 0.103 25125
8899 1 13 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.059 0.519 25125
8900 1 13 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.441 -0.283 25125
8901 1 13 . 1 1 118 118 ALA H H 118 7.958 7.958 7.353 0.605 25125
8902 1 13 . 1 1 119 119 ILE N N 119 115.269 115.269 116.464 -1.195 25125
8903 1 13 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.771 -0.043 25125
8904 1 13 . 1 1 119 119 ILE C C 119 177.366 177.366 177.793 -0.427 25125
8905 1 13 . 1 1 119 119 ILE CA C 119 63.669 63.669 63.899 -0.230 25125
8906 1 13 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.359 -0.561 25125
8907 1 13 . 1 1 119 119 ILE H H 119 7.753 7.753 7.643 0.110 25125
8908 1 13 . 1 1 120 120 SER N N 120 115.135 115.135 114.454 0.681 25125
8909 1 13 . 1 1 120 120 SER HA H 120 4.275 4.275 4.249 0.026 25125
8910 1 13 . 1 1 120 120 SER C C 120 175.084 175.084 174.637 0.447 25125
8911 1 13 . 1 1 120 120 SER CA C 120 59.816 59.816 60.162 -0.346 25125
8912 1 13 . 1 1 120 120 SER CB C 120 63.380 63.380 63.080 0.300 25125
8913 1 13 . 1 1 120 120 SER H H 120 7.816 7.816 8.337 -0.521 25125
8914 1 13 . 1 1 121 121 HIS N N 121 119.908 119.908 119.910 -0.002 25125
8915 1 13 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.159 0.263 25125
8916 1 13 . 1 1 121 121 HIS C C 121 175.029 175.029 177.404 -2.375 25125
8917 1 13 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.225 -1.990 25125
8918 1 13 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.877 -0.449 25125
8919 1 13 . 1 1 121 121 HIS H H 121 7.910 7.910 7.344 0.566 25125
8920 1 13 . 1 1 122 122 TYR N N 122 118.880 118.880 118.903 -0.023 25125
8921 1 13 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.366 0.060 25125
8922 1 13 . 1 1 122 122 TYR C C 122 175.276 175.276 177.108 -1.832 25125
8923 1 13 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.692 -1.243 25125
8924 1 13 . 1 1 122 122 TYR CB C 122 38.604 38.604 37.800 0.804 25125
8925 1 13 . 1 1 122 122 TYR H H 122 7.766 7.766 7.077 0.689 25125
8926 1 13 . 1 1 123 123 GLN N N 123 121.479 121.479 118.166 3.313 25125
8927 1 13 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.354 -0.084 25125
8928 1 13 . 1 1 123 123 GLN C C 123 174.534 174.534 176.108 -1.574 25125
8929 1 13 . 1 1 123 123 GLN CA C 123 55.512 55.512 54.906 0.606 25125
8930 1 13 . 1 1 123 123 GLN CB C 123 29.768 29.768 27.759 2.009 25125
8931 1 13 . 1 1 123 123 GLN H H 123 7.878 7.878 7.767 0.111 25125
8932 1 14 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.029 0.404 25125
8933 1 14 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.840 -1.276 25125
8934 1 14 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.767 2.833 25125
8935 1 14 . 1 1 3 3 ARG N N 3 121.252 121.252 116.905 4.347 25125
8936 1 14 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.193 0.172 25125
8937 1 14 . 1 1 3 3 ARG C C 3 175.634 175.634 175.626 0.008 25125
8938 1 14 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.905 -0.914 25125
8939 1 14 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.257 1.040 25125
8940 1 14 . 1 1 3 3 ARG H H 3 8.429 8.429 8.011 0.418 25125
8941 1 14 . 1 1 4 4 GLY N N 4 107.663 107.663 108.492 -0.829 25125
8942 1 14 . 1 1 4 4 GLY C C 4 171.041 171.041 173.164 -2.123 25125
8943 1 14 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.418 0.898 25125
8944 1 14 . 1 1 4 4 GLY H H 4 7.963 7.963 7.674 0.289 25125
8945 1 14 . 1 1 5 5 ILE N N 5 122.603 122.603 125.533 -2.930 25125
8946 1 14 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.024 0.675 25125
8947 1 14 . 1 1 5 5 ILE C C 5 175.359 175.359 175.087 0.272 25125
8948 1 14 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.699 -1.089 25125
8949 1 14 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.480 0.096 25125
8950 1 14 . 1 1 5 5 ILE H H 5 9.610 9.610 8.309 1.301 25125
8951 1 14 . 1 1 6 6 VAL N N 6 127.905 127.905 125.117 2.788 25125
8952 1 14 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.944 -0.132 25125
8953 1 14 . 1 1 6 6 VAL C C 6 174.204 174.204 175.391 -1.187 25125
8954 1 14 . 1 1 6 6 VAL CA C 6 59.559 59.559 61.230 -1.671 25125
8955 1 14 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.321 0.205 25125
8956 1 14 . 1 1 6 6 VAL H H 6 9.090 9.090 7.955 1.135 25125
8957 1 14 . 1 1 7 7 TRP N N 7 127.467 127.467 127.330 0.137 25125
8958 1 14 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.322 1.132 25125
8959 1 14 . 1 1 7 7 TRP C C 7 175.056 175.056 175.571 -0.515 25125
8960 1 14 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.381 -1.503 25125
8961 1 14 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.622 0.512 25125
8962 1 14 . 1 1 7 7 TRP H H 7 8.497 8.497 8.398 0.099 25125
8963 1 14 . 1 1 8 8 VAL N N 8 122.068 122.068 118.476 3.592 25125
8964 1 14 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.506 0.580 25125
8965 1 14 . 1 1 8 8 VAL C C 8 173.874 173.874 174.218 -0.344 25125
8966 1 14 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.520 -1.034 25125
8967 1 14 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.767 -0.052 25125
8968 1 14 . 1 1 8 8 VAL H H 8 8.583 8.583 9.374 -0.791 25125
8969 1 14 . 1 1 9 9 VAL N N 9 127.733 127.733 125.665 2.068 25125
8970 1 14 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.628 0.333 25125
8971 1 14 . 1 1 9 9 VAL C C 9 173.131 173.131 173.617 -0.486 25125
8972 1 14 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.947 -1.272 25125
8973 1 14 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.724 0.187 25125
8974 1 14 . 1 1 9 9 VAL H H 9 9.107 9.107 8.746 0.361 25125
8975 1 14 . 1 1 10 10 ASP N N 10 124.306 124.306 124.159 0.147 25125
8976 1 14 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.903 -0.334 25125
8977 1 14 . 1 1 10 10 ASP C C 10 175.029 175.029 174.745 0.284 25125
8978 1 14 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.393 2.354 25125
8979 1 14 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.541 0.568 25125
8980 1 14 . 1 1 10 10 ASP H H 10 7.775 7.775 7.774 0.001 25125
8981 1 14 . 1 1 11 11 ASP N N 11 126.714 126.714 118.076 8.638 25125
8982 1 14 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.926 -0.391 25125
8983 1 14 . 1 1 11 11 ASP C C 11 175.689 175.689 174.726 0.963 25125
8984 1 14 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.125 2.593 25125
8985 1 14 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.382 0.692 25125
8986 1 14 . 1 1 11 11 ASP H H 11 9.033 9.033 8.677 0.356 25125
8987 1 14 . 1 1 12 12 ASP N N 12 121.877 121.877 118.804 3.073 25125
8988 1 14 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.903 -0.257 25125
8989 1 14 . 1 1 12 12 ASP C C 12 177.036 177.036 176.184 0.852 25125
8990 1 14 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.370 -0.067 25125
8991 1 14 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.289 -3.125 25125
8992 1 14 . 1 1 12 12 ASP H H 12 9.570 9.570 7.737 1.833 25125
8993 1 14 . 1 1 13 13 SER N N 13 123.799 123.799 117.979 5.820 25125
8994 1 14 . 1 1 13 13 SER HA H 13 3.761 3.761 4.261 -0.500 25125
8995 1 14 . 1 1 13 13 SER C C 13 176.156 176.156 176.039 0.117 25125
8996 1 14 . 1 1 13 13 SER CA C 13 61.186 61.186 61.761 -0.575 25125
8997 1 14 . 1 1 13 13 SER CB C 13 62.749 62.749 63.567 -0.818 25125
8998 1 14 . 1 1 13 13 SER H H 13 8.850 8.850 8.827 0.023 25125
8999 1 14 . 1 1 14 14 SER N N 14 119.123 119.123 116.387 2.736 25125
9000 1 14 . 1 1 14 14 SER HA H 14 4.361 4.361 4.391 -0.030 25125
9001 1 14 . 1 1 14 14 SER C C 14 176.404 176.404 176.618 -0.214 25125
9002 1 14 . 1 1 14 14 SER CA C 14 61.730 61.730 61.117 0.612 25125
9003 1 14 . 1 1 14 14 SER CB C 14 62.548 62.548 62.857 -0.309 25125
9004 1 14 . 1 1 14 14 SER H H 14 8.531 8.531 8.820 -0.289 25125
9005 1 14 . 1 1 15 15 ILE N N 15 123.637 123.637 121.472 2.165 25125
9006 1 14 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.038 -0.093 25125
9007 1 14 . 1 1 15 15 ILE C C 15 177.861 177.861 177.397 0.464 25125
9008 1 14 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.670 -1.470 25125
9009 1 14 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.284 -1.398 25125
9010 1 14 . 1 1 15 15 ILE H H 15 7.206 7.206 8.009 -0.803 25125
9011 1 14 . 1 1 16 16 ARG N N 16 116.694 116.694 120.129 -3.435 25125
9012 1 14 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.395 -0.672 25125
9013 1 14 . 1 1 16 16 ARG C C 16 177.448 177.448 178.460 -1.012 25125
9014 1 14 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.791 2.782 25125
9015 1 14 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.833 0.614 25125
9016 1 14 . 1 1 16 16 ARG H H 16 7.562 7.562 7.459 0.103 25125
9017 1 14 . 1 1 17 17 TRP N N 17 116.848 116.848 123.290 -6.442 25125
9018 1 14 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.352 0.119 25125
9019 1 14 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.309 -0.869 25125
9020 1 14 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.448 -0.156 25125
9021 1 14 . 1 1 17 17 TRP H H 17 8.005 8.005 8.649 -0.644 25125
9022 1 14 . 1 1 18 18 VAL N N 18 116.964 116.964 116.121 0.843 25125
9023 1 14 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.770 0.905 25125
9024 1 14 . 1 1 18 18 VAL C C 18 179.181 179.181 177.746 1.435 25125
9025 1 14 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.954 -0.246 25125
9026 1 14 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.036 0.601 25125
9027 1 14 . 1 1 18 18 VAL H H 18 8.110 8.110 7.573 0.537 25125
9028 1 14 . 1 1 19 19 LEU N N 19 120.186 120.186 117.243 2.943 25125
9029 1 14 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.109 -0.034 25125
9030 1 14 . 1 1 19 19 LEU C C 19 177.778 177.778 178.965 -1.187 25125
9031 1 14 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.933 0.889 25125
9032 1 14 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.495 0.286 25125
9033 1 14 . 1 1 19 19 LEU H H 19 8.073 8.073 7.612 0.461 25125
9034 1 14 . 1 1 20 20 GLU N N 20 120.193 120.193 120.133 0.060 25125
9035 1 14 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.035 -0.094 25125
9036 1 14 . 1 1 20 20 GLU C C 20 178.603 178.603 178.522 0.081 25125
9037 1 14 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.279 1.331 25125
9038 1 14 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.892 -0.804 25125
9039 1 14 . 1 1 20 20 GLU H H 20 8.387 8.387 7.963 0.424 25125
9040 1 14 . 1 1 21 21 ARG N N 21 116.076 116.076 118.469 -2.393 25125
9041 1 14 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.917 -0.025 25125
9042 1 14 . 1 1 21 21 ARG C C 21 179.676 179.676 178.427 1.249 25125
9043 1 14 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.974 -0.525 25125
9044 1 14 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.118 0.735 25125
9045 1 14 . 1 1 21 21 ARG H H 21 7.602 7.602 8.342 -0.740 25125
9046 1 14 . 1 1 22 22 ALA N N 22 122.405 122.405 121.971 0.434 25125
9047 1 14 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.078 0.019 25125
9048 1 14 . 1 1 22 22 ALA C C 22 180.501 180.501 179.005 1.496 25125
9049 1 14 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.396 0.182 25125
9050 1 14 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.315 0.917 25125
9051 1 14 . 1 1 22 22 ALA H H 22 7.992 7.992 7.569 0.423 25125
9052 1 14 . 1 1 23 23 LEU N N 23 118.026 118.026 118.113 -0.087 25125
9053 1 14 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.224 -0.223 25125
9054 1 14 . 1 1 23 23 LEU C C 23 178.878 178.878 178.954 -0.076 25125
9055 1 14 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.689 1.032 25125
9056 1 14 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.215 -2.560 25125
9057 1 14 . 1 1 23 23 LEU H H 23 8.825 8.825 7.765 1.060 25125
9058 1 14 . 1 1 24 24 ALA N N 24 122.159 122.159 122.080 0.079 25125
9059 1 14 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.971 0.662 25125
9060 1 14 . 1 1 24 24 ALA C C 24 183.141 183.141 179.675 3.466 25125
9061 1 14 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.916 -0.169 25125
9062 1 14 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.403 -0.701 25125
9063 1 14 . 1 1 24 24 ALA H H 24 8.125 8.125 8.121 0.004 25125
9064 1 14 . 1 1 25 25 GLY N N 25 106.891 106.891 103.809 3.082 25125
9065 1 14 . 1 1 25 25 GLY C C 25 174.286 174.286 174.553 -0.267 25125
9066 1 14 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.164 1.257 25125
9067 1 14 . 1 1 25 25 GLY H H 25 7.870 7.870 7.912 -0.042 25125
9068 1 14 . 1 1 26 26 ALA N N 26 121.819 121.819 123.136 -1.317 25125
9069 1 14 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.609 -0.110 25125
9070 1 14 . 1 1 26 26 ALA C C 26 176.953 176.953 177.496 -0.543 25125
9071 1 14 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.790 -0.271 25125
9072 1 14 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.970 -1.248 25125
9073 1 14 . 1 1 26 26 ALA H H 26 7.285 7.285 7.555 -0.270 25125
9074 1 14 . 1 1 27 27 GLY N N 27 106.197 106.197 106.253 -0.056 25125
9075 1 14 . 1 1 27 27 GLY C C 27 173.956 173.956 172.885 1.071 25125
9076 1 14 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.218 0.098 25125
9077 1 14 . 1 1 27 27 GLY H H 27 7.824 7.824 8.130 -0.306 25125
9078 1 14 . 1 1 28 28 LEU N N 28 120.291 120.291 117.433 2.858 25125
9079 1 14 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.775 -0.200 25125
9080 1 14 . 1 1 28 28 LEU C C 28 175.881 175.881 176.587 -0.706 25125
9081 1 14 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.692 0.951 25125
9082 1 14 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.441 -1.956 25125
9083 1 14 . 1 1 28 28 LEU H H 28 7.678 7.678 7.551 0.127 25125
9084 1 14 . 1 1 29 29 THR N N 29 118.040 118.040 116.994 1.046 25125
9085 1 14 . 1 1 29 29 THR HA H 29 4.335 4.335 4.185 0.150 25125
9086 1 14 . 1 1 29 29 THR C C 29 173.186 173.186 173.875 -0.689 25125
9087 1 14 . 1 1 29 29 THR CA C 29 62.479 62.479 63.877 -1.399 25125
9088 1 14 . 1 1 29 29 THR CB C 29 69.465 69.465 69.411 0.054 25125
9089 1 14 . 1 1 29 29 THR H H 29 8.527 8.527 8.499 0.028 25125
9090 1 14 . 1 1 30 30 CYS N N 30 128.387 128.387 121.581 6.806 25125
9091 1 14 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.480 0.463 25125
9092 1 14 . 1 1 30 30 CYS C C 30 173.846 173.846 173.743 0.103 25125
9093 1 14 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.609 -0.247 25125
9094 1 14 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.417 -0.937 25125
9095 1 14 . 1 1 30 30 CYS H H 30 8.968 8.968 8.370 0.598 25125
9096 1 14 . 1 1 31 31 THR N N 31 126.481 126.481 123.353 3.128 25125
9097 1 14 . 1 1 31 31 THR HA H 31 4.433 4.433 4.330 0.103 25125
9098 1 14 . 1 1 31 31 THR C C 31 172.609 172.609 173.266 -0.657 25125
9099 1 14 . 1 1 31 31 THR CA C 31 61.951 61.951 61.274 0.677 25125
9100 1 14 . 1 1 31 31 THR CB C 31 70.567 70.567 69.544 1.023 25125
9101 1 14 . 1 1 31 31 THR H H 31 8.614 8.614 8.400 0.214 25125
9102 1 14 . 1 1 32 32 THR N N 32 116.418 116.418 117.621 -1.203 25125
9103 1 14 . 1 1 32 32 THR HA H 32 5.330 5.330 4.696 0.634 25125
9104 1 14 . 1 1 32 32 THR C C 32 172.306 172.306 172.868 -0.562 25125
9105 1 14 . 1 1 32 32 THR CA C 32 59.173 59.173 60.620 -1.447 25125
9106 1 14 . 1 1 32 32 THR CB C 32 70.917 70.917 69.935 0.982 25125
9107 1 14 . 1 1 32 32 THR H H 32 8.299 8.299 8.166 0.133 25125
9108 1 14 . 1 1 33 33 PHE N N 33 118.067 118.067 122.977 -4.910 25125
9109 1 14 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.772 -0.129 25125
9110 1 14 . 1 1 33 33 PHE C C 33 174.341 174.341 175.035 -0.694 25125
9111 1 14 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.114 0.418 25125
9112 1 14 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.135 1.174 25125
9113 1 14 . 1 1 33 33 PHE H H 33 8.890 8.890 8.698 0.192 25125
9114 1 14 . 1 1 34 34 GLU N N 34 118.499 118.499 116.998 1.501 25125
9115 1 14 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.687 -0.333 25125
9116 1 14 . 1 1 34 34 GLU C C 34 175.414 175.414 175.397 0.017 25125
9117 1 14 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.775 0.917 25125
9118 1 14 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.797 0.670 25125
9119 1 14 . 1 1 34 34 GLU H H 34 9.023 9.023 8.965 0.058 25125
9120 1 14 . 1 1 35 35 ASN N N 35 109.907 109.907 118.603 -8.696 25125
9121 1 14 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.858 -0.077 25125
9122 1 14 . 1 1 35 35 ASN C C 35 175.139 175.139 176.067 -0.928 25125
9123 1 14 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.388 -1.242 25125
9124 1 14 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.487 0.836 25125
9125 1 14 . 1 1 35 35 ASN H H 35 7.401 7.401 7.638 -0.237 25125
9126 1 14 . 1 1 36 36 GLY N N 36 106.739 106.739 112.020 -5.281 25125
9127 1 14 . 1 1 36 36 GLY C C 36 174.616 174.616 174.878 -0.262 25125
9128 1 14 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.154 -0.138 25125
9129 1 14 . 1 1 36 36 GLY H H 36 8.877 8.877 9.003 -0.126 25125
9130 1 14 . 1 1 37 37 ASN N N 37 120.462 120.462 117.866 2.596 25125
9131 1 14 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.536 -0.174 25125
9132 1 14 . 1 1 37 37 ASN C C 37 178.686 178.686 177.036 1.650 25125
9133 1 14 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.002 1.530 25125
9134 1 14 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.417 -0.833 25125
9135 1 14 . 1 1 37 37 ASN H H 37 8.366 8.366 8.493 -0.127 25125
9136 1 14 . 1 1 38 38 GLU N N 38 119.360 119.360 119.226 0.134 25125
9137 1 14 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.241 -0.171 25125
9138 1 14 . 1 1 38 38 GLU C C 38 179.263 179.263 178.038 1.225 25125
9139 1 14 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.124 0.508 25125
9140 1 14 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.930 0.602 25125
9141 1 14 . 1 1 38 38 GLU H H 38 7.990 7.990 8.005 -0.015 25125
9142 1 14 . 1 1 39 39 VAL N N 39 119.259 119.259 119.447 -0.188 25125
9143 1 14 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.020 -0.252 25125
9144 1 14 . 1 1 39 39 VAL C C 39 176.431 176.431 177.248 -0.817 25125
9145 1 14 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.346 -0.403 25125
9146 1 14 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.815 -0.740 25125
9147 1 14 . 1 1 39 39 VAL H H 39 6.883 6.883 7.168 -0.285 25125
9148 1 14 . 1 1 40 40 LEU N N 40 119.627 119.627 121.248 -1.621 25125
9149 1 14 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.006 -0.079 25125
9150 1 14 . 1 1 40 40 LEU C C 40 179.538 179.538 177.946 1.592 25125
9151 1 14 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.056 -0.117 25125
9152 1 14 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.508 -0.440 25125
9153 1 14 . 1 1 40 40 LEU H H 40 7.692 7.692 7.561 0.131 25125
9154 1 14 . 1 1 41 41 ALA N N 41 120.051 120.051 120.502 -0.451 25125
9155 1 14 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.089 0.051 25125
9156 1 14 . 1 1 41 41 ALA C C 41 180.528 180.528 179.672 0.856 25125
9157 1 14 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.773 -0.123 25125
9158 1 14 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.827 0.039 25125
9159 1 14 . 1 1 41 41 ALA H H 41 7.553 7.553 7.918 -0.365 25125
9160 1 14 . 1 1 42 42 ALA N N 42 122.731 122.731 121.729 1.002 25125
9161 1 14 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.169 0.030 25125
9162 1 14 . 1 1 42 42 ALA C C 42 180.198 180.198 180.323 -0.125 25125
9163 1 14 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.458 0.574 25125
9164 1 14 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.274 1.125 25125
9165 1 14 . 1 1 42 42 ALA H H 42 7.604 7.604 7.254 0.350 25125
9166 1 14 . 1 1 43 43 LEU N N 43 119.131 119.131 118.771 0.360 25125
9167 1 14 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.891 1.315 25125
9168 1 14 . 1 1 43 43 LEU C C 43 177.421 177.421 178.549 -1.128 25125
9169 1 14 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.516 -1.971 25125
9170 1 14 . 1 1 43 43 LEU CB C 43 42.604 42.604 40.996 1.608 25125
9171 1 14 . 1 1 43 43 LEU H H 43 8.288 8.288 7.956 0.332 25125
9172 1 14 . 1 1 44 44 ALA N N 44 119.065 119.065 118.554 0.511 25125
9173 1 14 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.135 0.094 25125
9174 1 14 . 1 1 44 44 ALA C C 44 178.686 178.686 178.477 0.209 25125
9175 1 14 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.767 0.471 25125
9176 1 14 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.424 0.092 25125
9177 1 14 . 1 1 44 44 ALA H H 44 7.302 7.302 7.662 -0.360 25125
9178 1 14 . 1 1 45 45 SER N N 45 108.656 108.656 114.988 -6.332 25125
9179 1 14 . 1 1 45 45 SER HA H 45 4.742 4.742 4.337 0.405 25125
9180 1 14 . 1 1 45 45 SER C C 45 173.296 173.296 176.153 -2.857 25125
9181 1 14 . 1 1 45 45 SER CA C 45 58.656 58.656 60.848 -2.192 25125
9182 1 14 . 1 1 45 45 SER CB C 45 65.407 65.407 63.745 1.661 25125
9183 1 14 . 1 1 45 45 SER H H 45 7.728 7.728 8.064 -0.336 25125
9184 1 14 . 1 1 46 46 LYS N N 46 123.016 123.016 116.923 6.093 25125
9185 1 14 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.632 -0.046 25125
9186 1 14 . 1 1 46 46 LYS C C 46 172.719 172.719 175.760 -3.041 25125
9187 1 14 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.318 -0.805 25125
9188 1 14 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.650 2.575 25125
9189 1 14 . 1 1 46 46 LYS H H 46 8.101 8.101 7.964 0.137 25125
9190 1 14 . 1 1 47 47 THR N N 47 111.780 111.780 113.616 -1.836 25125
9191 1 14 . 1 1 47 47 THR HA H 47 4.282 4.282 3.835 0.447 25125
9192 1 14 . 1 1 47 47 THR CA C 47 57.806 57.806 62.225 -4.419 25125
9193 1 14 . 1 1 47 47 THR CB C 47 70.594 70.594 68.054 2.540 25125
9194 1 14 . 1 1 47 47 THR H H 47 7.677 7.677 7.716 -0.039 25125
9195 1 14 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.799 0.106 25125
9196 1 14 . 1 1 48 48 PRO C C 48 172.966 172.966 175.924 -2.958 25125
9197 1 14 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.748 -0.882 25125
9198 1 14 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.590 -1.313 25125
9199 1 14 . 1 1 49 49 ASP N N 49 115.035 115.035 118.569 -3.534 25125
9200 1 14 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.539 -0.095 25125
9201 1 14 . 1 1 49 49 ASP C C 49 175.634 175.634 175.105 0.529 25125
9202 1 14 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.443 1.004 25125
9203 1 14 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.897 -0.385 25125
9204 1 14 . 1 1 49 49 ASP H H 49 8.502 8.502 8.194 0.308 25125
9205 1 14 . 1 1 50 50 VAL N N 50 112.082 112.082 114.997 -2.915 25125
9206 1 14 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.410 -0.130 25125
9207 1 14 . 1 1 50 50 VAL C C 50 171.454 171.454 172.953 -1.499 25125
9208 1 14 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.953 -1.391 25125
9209 1 14 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.214 0.422 25125
9210 1 14 . 1 1 50 50 VAL H H 50 7.173 7.173 7.170 0.003 25125
9211 1 14 . 1 1 51 51 LEU N N 51 128.247 128.247 126.340 1.907 25125
9212 1 14 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.427 -0.108 25125
9213 1 14 . 1 1 51 51 LEU C C 51 173.104 173.104 175.153 -2.049 25125
9214 1 14 . 1 1 51 51 LEU CA C 51 53.218 53.218 52.854 0.364 25125
9215 1 14 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.499 0.007 25125
9216 1 14 . 1 1 51 51 LEU H H 51 8.059 8.059 8.252 -0.193 25125
9217 1 14 . 1 1 52 52 LEU N N 52 128.407 128.407 120.768 7.639 25125
9218 1 14 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.178 0.323 25125
9219 1 14 . 1 1 52 52 LEU C C 52 175.414 175.414 176.392 -0.978 25125
9220 1 14 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.020 0.303 25125
9221 1 14 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.250 2.271 25125
9222 1 14 . 1 1 52 52 LEU H H 52 9.242 9.242 8.139 1.103 25125
9223 1 14 . 1 1 53 53 SER N N 53 114.946 114.946 117.831 -2.885 25125
9224 1 14 . 1 1 53 53 SER HA H 53 5.595 5.595 4.432 1.163 25125
9225 1 14 . 1 1 53 53 SER C C 53 174.644 174.644 174.378 0.266 25125
9226 1 14 . 1 1 53 53 SER CA C 53 55.954 55.954 57.825 -1.871 25125
9227 1 14 . 1 1 53 53 SER CB C 53 66.473 66.473 64.608 1.865 25125
9228 1 14 . 1 1 53 53 SER H H 53 8.695 8.695 7.956 0.739 25125
9229 1 14 . 1 1 54 54 ASP N N 54 128.341 128.341 126.736 1.605 25125
9230 1 14 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.580 0.745 25125
9231 1 14 . 1 1 54 54 ASP C C 54 176.816 176.816 176.258 0.558 25125
9232 1 14 . 1 1 54 54 ASP CA C 54 54.493 54.493 54.247 0.246 25125
9233 1 14 . 1 1 54 54 ASP CB C 54 42.328 42.328 41.725 0.603 25125
9234 1 14 . 1 1 54 54 ASP H H 54 7.886 7.886 8.329 -0.443 25125
9235 1 14 . 1 1 55 55 ILE N N 55 121.229 121.229 117.816 3.413 25125
9236 1 14 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.924 0.261 25125
9237 1 14 . 1 1 55 55 ILE C C 55 175.084 175.084 173.930 1.154 25125
9238 1 14 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.029 -0.487 25125
9239 1 14 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.029 3.001 25125
9240 1 14 . 1 1 55 55 ILE H H 55 8.722 8.722 7.920 0.802 25125
9241 1 14 . 1 1 56 56 ARG N N 56 124.188 124.188 123.178 1.010 25125
9242 1 14 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.550 -0.045 25125
9243 1 14 . 1 1 56 56 ARG C C 56 175.661 175.661 174.317 1.344 25125
9244 1 14 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.058 -0.617 25125
9245 1 14 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.529 -1.167 25125
9246 1 14 . 1 1 56 56 ARG H H 56 8.499 8.499 8.356 0.143 25125
9247 1 14 . 1 1 57 57 MET N N 57 122.581 122.581 117.554 5.027 25125
9248 1 14 . 1 1 57 57 MET HA H 57 4.821 4.821 4.956 -0.135 25125
9249 1 14 . 1 1 57 57 MET CA C 57 53.132 53.132 53.859 -0.727 25125
9250 1 14 . 1 1 57 57 MET CB C 57 33.445 33.445 33.523 -0.078 25125
9251 1 14 . 1 1 57 57 MET H H 57 7.956 7.956 7.874 0.082 25125
9252 1 14 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.383 0.010 25125
9253 1 14 . 1 1 58 58 PRO C C 58 177.806 177.806 177.203 0.603 25125
9254 1 14 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.974 -0.475 25125
9255 1 14 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.964 -0.157 25125
9256 1 14 . 1 1 59 59 GLY N N 59 111.082 111.082 108.461 2.621 25125
9257 1 14 . 1 1 59 59 GLY C C 59 173.626 173.626 173.473 0.153 25125
9258 1 14 . 1 1 59 59 GLY CA C 59 45.590 45.590 44.587 1.003 25125
9259 1 14 . 1 1 59 59 GLY H H 59 8.653 8.653 8.069 0.584 25125
9260 1 14 . 1 1 60 60 MET N N 60 120.052 120.052 122.103 -2.051 25125
9261 1 14 . 1 1 60 60 MET HA H 60 4.525 4.525 4.189 0.336 25125
9262 1 14 . 1 1 60 60 MET C C 60 173.956 173.956 175.913 -1.957 25125
9263 1 14 . 1 1 60 60 MET CA C 60 55.047 55.047 55.475 -0.428 25125
9264 1 14 . 1 1 60 60 MET CB C 60 34.506 34.506 31.668 2.838 25125
9265 1 14 . 1 1 60 60 MET H H 60 7.968 7.968 8.484 -0.516 25125
9266 1 14 . 1 1 61 61 ASP N N 61 121.306 121.306 118.619 2.687 25125
9267 1 14 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.371 0.333 25125
9268 1 14 . 1 1 61 61 ASP C C 61 176.761 176.761 177.575 -0.814 25125
9269 1 14 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.822 -2.093 25125
9270 1 14 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.151 -0.082 25125
9271 1 14 . 1 1 61 61 ASP H H 61 8.379 8.379 8.575 -0.196 25125
9272 1 14 . 1 1 62 62 GLY N N 62 110.874 110.874 104.641 6.233 25125
9273 1 14 . 1 1 62 62 GLY C C 62 175.194 175.194 175.593 -0.399 25125
9274 1 14 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.052 2.049 25125
9275 1 14 . 1 1 62 62 GLY H H 62 8.707 8.707 8.138 0.569 25125
9276 1 14 . 1 1 63 63 LEU N N 63 121.299 121.299 123.246 -1.947 25125
9277 1 14 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.373 -0.196 25125
9278 1 14 . 1 1 63 63 LEU C C 63 178.356 178.356 178.008 0.348 25125
9279 1 14 . 1 1 63 63 LEU CA C 63 56.878 56.878 56.369 0.509 25125
9280 1 14 . 1 1 63 63 LEU CB C 63 41.238 41.238 41.486 -0.248 25125
9281 1 14 . 1 1 63 63 LEU H H 63 8.045 8.045 7.853 0.192 25125
9282 1 14 . 1 1 64 64 ALA N N 64 122.741 122.741 123.641 -0.900 25125
9283 1 14 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.012 0.050 25125
9284 1 14 . 1 1 64 64 ALA C C 64 180.556 180.556 179.481 1.075 25125
9285 1 14 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.667 -1.052 25125
9286 1 14 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.020 -0.020 25125
9287 1 14 . 1 1 64 64 ALA H H 64 7.859 7.859 8.339 -0.480 25125
9288 1 14 . 1 1 65 65 LEU N N 65 120.287 120.287 114.804 5.483 25125
9289 1 14 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.311 -0.249 25125
9290 1 14 . 1 1 65 65 LEU C C 65 178.191 178.191 178.654 -0.463 25125
9291 1 14 . 1 1 65 65 LEU CA C 65 58.019 58.019 57.521 0.498 25125
9292 1 14 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.637 -0.399 25125
9293 1 14 . 1 1 65 65 LEU H H 65 8.022 8.022 7.842 0.180 25125
9294 1 14 . 1 1 66 66 LEU N N 66 118.738 118.738 121.245 -2.507 25125
9295 1 14 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.040 -0.182 25125
9296 1 14 . 1 1 66 66 LEU C C 66 178.631 178.631 179.248 -0.617 25125
9297 1 14 . 1 1 66 66 LEU CA C 66 58.346 58.346 58.082 0.264 25125
9298 1 14 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.818 0.420 25125
9299 1 14 . 1 1 66 66 LEU H H 66 8.101 8.101 7.731 0.370 25125
9300 1 14 . 1 1 67 67 LYS N N 67 117.842 117.842 118.011 -0.169 25125
9301 1 14 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.006 -0.024 25125
9302 1 14 . 1 1 67 67 LYS C C 67 179.263 179.263 179.107 0.156 25125
9303 1 14 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.703 0.095 25125
9304 1 14 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.139 0.068 25125
9305 1 14 . 1 1 67 67 LYS H H 67 8.010 8.010 8.396 -0.386 25125
9306 1 14 . 1 1 68 68 GLN N N 68 118.875 118.875 118.036 0.839 25125
9307 1 14 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.221 -0.165 25125
9308 1 14 . 1 1 68 68 GLN C C 68 179.071 179.071 177.775 1.296 25125
9309 1 14 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.342 0.731 25125
9310 1 14 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.495 0.116 25125
9311 1 14 . 1 1 68 68 GLN H H 68 7.809 7.809 7.472 0.337 25125
9312 1 14 . 1 1 69 69 ILE N N 69 120.377 120.377 122.532 -2.155 25125
9313 1 14 . 1 1 69 69 ILE HA H 69 3.530 3.530 4.046 -0.516 25125
9314 1 14 . 1 1 69 69 ILE C C 69 177.421 177.421 178.313 -0.892 25125
9315 1 14 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.956 0.922 25125
9316 1 14 . 1 1 69 69 ILE CB C 69 37.584 37.584 38.003 -0.419 25125
9317 1 14 . 1 1 69 69 ILE H H 69 8.481 8.481 8.300 0.181 25125
9318 1 14 . 1 1 70 70 LYS N N 70 117.873 117.873 118.582 -0.709 25125
9319 1 14 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.213 -0.253 25125
9320 1 14 . 1 1 70 70 LYS C C 70 178.053 178.053 178.674 -0.621 25125
9321 1 14 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.146 -1.058 25125
9322 1 14 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.733 -0.521 25125
9323 1 14 . 1 1 70 70 LYS H H 70 8.220 8.220 7.999 0.221 25125
9324 1 14 . 1 1 71 71 GLN N N 71 116.315 116.315 118.674 -2.359 25125
9325 1 14 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.176 -0.184 25125
9326 1 14 . 1 1 71 71 GLN C C 71 177.366 177.366 177.590 -0.224 25125
9327 1 14 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.065 0.125 25125
9328 1 14 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.171 -0.506 25125
9329 1 14 . 1 1 71 71 GLN H H 71 7.601 7.601 7.522 0.079 25125
9330 1 14 . 1 1 72 72 ARG N N 72 116.530 116.530 117.924 -1.394 25125
9331 1 14 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.032 -0.002 25125
9332 1 14 . 1 1 72 72 ARG C C 72 175.826 175.826 176.483 -0.657 25125
9333 1 14 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.539 -0.317 25125
9334 1 14 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.038 0.763 25125
9335 1 14 . 1 1 72 72 ARG H H 72 7.301 7.301 8.007 -0.706 25125
9336 1 14 . 1 1 73 73 HIS N N 73 116.755 116.755 116.391 0.364 25125
9337 1 14 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.013 -0.053 25125
9338 1 14 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.434 -0.216 25125
9339 1 14 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.044 0.518 25125
9340 1 14 . 1 1 73 73 HIS H H 73 8.331 8.331 7.568 0.763 25125
9341 1 14 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.493 0.006 25125
9342 1 14 . 1 1 74 74 PRO C C 74 178.466 178.466 177.898 0.568 25125
9343 1 14 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.119 -0.006 25125
9344 1 14 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.345 -0.250 25125
9345 1 14 . 1 1 75 75 MET N N 75 114.814 114.814 113.451 1.363 25125
9346 1 14 . 1 1 75 75 MET HA H 75 4.567 4.567 4.420 0.147 25125
9347 1 14 . 1 1 75 75 MET C C 75 176.046 176.046 175.715 0.331 25125
9348 1 14 . 1 1 75 75 MET CA C 75 54.266 54.266 56.077 -1.811 25125
9349 1 14 . 1 1 75 75 MET CB C 75 31.288 31.288 31.984 -0.696 25125
9350 1 14 . 1 1 75 75 MET H H 75 8.623 8.623 7.863 0.760 25125
9351 1 14 . 1 1 76 76 LEU N N 76 125.533 125.533 123.143 2.390 25125
9352 1 14 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.751 -0.446 25125
9353 1 14 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.293 1.819 25125
9354 1 14 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.015 0.670 25125
9355 1 14 . 1 1 76 76 LEU H H 76 7.337 7.337 7.075 0.262 25125
9356 1 14 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.523 -0.077 25125
9357 1 14 . 1 1 77 77 PRO C C 77 174.974 174.974 175.208 -0.234 25125
9358 1 14 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.599 0.228 25125
9359 1 14 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.409 -0.687 25125
9360 1 14 . 1 1 78 78 VAL N N 78 123.779 123.779 120.544 3.235 25125
9361 1 14 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.542 0.482 25125
9362 1 14 . 1 1 78 78 VAL C C 78 175.441 175.441 175.300 0.141 25125
9363 1 14 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.558 -0.365 25125
9364 1 14 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.895 -1.601 25125
9365 1 14 . 1 1 78 78 VAL H H 78 8.317 8.317 8.137 0.180 25125
9366 1 14 . 1 1 79 79 ILE N N 79 128.334 128.334 120.963 7.371 25125
9367 1 14 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.805 -0.324 25125
9368 1 14 . 1 1 79 79 ILE C C 79 174.479 174.479 174.852 -0.373 25125
9369 1 14 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.100 -0.578 25125
9370 1 14 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.325 -2.362 25125
9371 1 14 . 1 1 79 79 ILE H H 79 9.292 9.292 8.523 0.769 25125
9372 1 14 . 1 1 80 80 ILE N N 80 127.023 127.023 124.832 2.191 25125
9373 1 14 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.330 0.529 25125
9374 1 14 . 1 1 80 80 ILE C C 80 175.029 175.029 174.948 0.081 25125
9375 1 14 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.754 -1.597 25125
9376 1 14 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.579 -1.635 25125
9377 1 14 . 1 1 80 80 ILE H H 80 7.938 7.938 8.821 -0.883 25125
9378 1 14 . 1 1 81 81 MET N N 81 127.255 127.255 125.851 1.404 25125
9379 1 14 . 1 1 81 81 MET HA H 81 5.521 5.521 5.525 -0.004 25125
9380 1 14 . 1 1 81 81 MET C C 81 174.534 174.534 175.379 -0.845 25125
9381 1 14 . 1 1 81 81 MET CA C 81 53.513 53.513 54.988 -1.475 25125
9382 1 14 . 1 1 81 81 MET CB C 81 35.483 35.483 35.008 0.475 25125
9383 1 14 . 1 1 81 81 MET H H 81 8.801 8.801 8.492 0.309 25125
9384 1 14 . 1 1 82 82 THR N N 82 112.857 112.857 118.190 -5.333 25125
9385 1 14 . 1 1 82 82 THR HA H 82 4.914 4.914 4.544 0.370 25125
9386 1 14 . 1 1 82 82 THR C C 82 172.581 172.581 172.892 -0.311 25125
9387 1 14 . 1 1 82 82 THR CA C 82 59.561 59.561 63.560 -3.999 25125
9388 1 14 . 1 1 82 82 THR CB C 82 69.989 69.989 70.081 -0.092 25125
9389 1 14 . 1 1 82 82 THR H H 82 7.623 7.623 8.123 -0.500 25125
9390 1 14 . 1 1 83 83 ALA N N 83 129.541 129.541 125.982 3.559 25125
9391 1 14 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.998 0.710 25125
9392 1 14 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.812 -1.274 25125
9393 1 14 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.821 2.326 25125
9394 1 14 . 1 1 83 83 ALA H H 83 9.149 9.149 8.316 0.833 25125
9395 1 14 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.556 -0.284 25125
9396 1 14 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.932 3.768 25125
9397 1 14 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.996 -0.978 25125
9398 1 14 . 1 1 85 85 SER N N 85 112.633 112.633 114.194 -1.561 25125
9399 1 14 . 1 1 85 85 SER HA H 85 4.198 4.198 4.443 -0.245 25125
9400 1 14 . 1 1 85 85 SER C C 85 174.506 174.506 173.347 1.159 25125
9401 1 14 . 1 1 85 85 SER CA C 85 59.823 59.823 58.658 1.165 25125
9402 1 14 . 1 1 85 85 SER CB C 85 62.693 62.693 63.729 -1.036 25125
9403 1 14 . 1 1 85 85 SER H H 85 8.224 8.224 7.257 0.967 25125
9404 1 14 . 1 1 86 86 ASP N N 86 120.886 120.886 120.831 0.055 25125
9405 1 14 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.575 0.361 25125
9406 1 14 . 1 1 86 86 ASP C C 86 175.881 175.881 176.074 -0.193 25125
9407 1 14 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.120 -1.187 25125
9408 1 14 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.827 0.176 25125
9409 1 14 . 1 1 86 86 ASP H H 86 7.608 7.608 8.063 -0.455 25125
9410 1 14 . 1 1 87 87 LEU N N 87 121.913 121.913 120.817 1.096 25125
9411 1 14 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.532 0.387 25125
9412 1 14 . 1 1 87 87 LEU C C 87 177.586 177.586 177.906 -0.320 25125
9413 1 14 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.837 -1.000 25125
9414 1 14 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.586 0.729 25125
9415 1 14 . 1 1 87 87 LEU H H 87 7.498 7.498 8.111 -0.613 25125
9416 1 14 . 1 1 88 88 ASP N N 88 117.621 117.621 117.594 0.027 25125
9417 1 14 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.197 0.075 25125
9418 1 14 . 1 1 88 88 ASP C C 88 178.246 178.246 177.571 0.675 25125
9419 1 14 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.584 -0.774 25125
9420 1 14 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.165 -0.031 25125
9421 1 14 . 1 1 88 88 ASP H H 88 8.322 8.322 8.479 -0.157 25125
9422 1 14 . 1 1 89 89 ALA N N 89 122.874 122.874 120.844 2.030 25125
9423 1 14 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.395 -0.301 25125
9424 1 14 . 1 1 89 89 ALA C C 89 179.346 179.346 179.395 -0.049 25125
9425 1 14 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.310 -0.157 25125
9426 1 14 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.730 -0.469 25125
9427 1 14 . 1 1 89 89 ALA H H 89 7.838 7.838 7.420 0.418 25125
9428 1 14 . 1 1 90 90 ALA N N 90 121.673 121.673 121.622 0.051 25125
9429 1 14 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.130 -0.197 25125
9430 1 14 . 1 1 90 90 ALA C C 90 178.686 178.686 179.715 -1.029 25125
9431 1 14 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.883 -0.220 25125
9432 1 14 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.132 0.250 25125
9433 1 14 . 1 1 90 90 ALA H H 90 7.896 7.896 8.406 -0.510 25125
9434 1 14 . 1 1 91 91 VAL N N 91 117.749 117.749 118.632 -0.883 25125
9435 1 14 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.008 -0.396 25125
9436 1 14 . 1 1 91 91 VAL C C 91 178.411 178.411 178.395 0.016 25125
9437 1 14 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.132 -0.952 25125
9438 1 14 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.641 -0.004 25125
9439 1 14 . 1 1 91 91 VAL H H 91 8.098 8.098 8.474 -0.376 25125
9440 1 14 . 1 1 92 92 SER N N 92 114.942 114.942 113.227 1.715 25125
9441 1 14 . 1 1 92 92 SER HA H 92 4.231 4.231 4.417 -0.186 25125
9442 1 14 . 1 1 92 92 SER C C 92 175.826 175.826 174.998 0.828 25125
9443 1 14 . 1 1 92 92 SER CA C 92 60.649 60.649 59.765 0.884 25125
9444 1 14 . 1 1 92 92 SER CB C 92 63.063 63.063 63.513 -0.450 25125
9445 1 14 . 1 1 92 92 SER H H 92 7.825 7.825 7.850 -0.025 25125
9446 1 14 . 1 1 93 93 ALA N N 93 122.580 122.580 123.376 -0.796 25125
9447 1 14 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.258 -0.201 25125
9448 1 14 . 1 1 93 93 ALA C C 93 178.906 178.906 179.282 -0.376 25125
9449 1 14 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.111 0.206 25125
9450 1 14 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.872 -0.575 25125
9451 1 14 . 1 1 93 93 ALA H H 93 7.861 7.861 8.174 -0.313 25125
9452 1 14 . 1 1 94 94 TYR N N 94 118.447 118.447 121.674 -3.227 25125
9453 1 14 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.198 0.294 25125
9454 1 14 . 1 1 94 94 TYR C C 94 177.393 177.393 177.140 0.253 25125
9455 1 14 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.553 -1.302 25125
9456 1 14 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.537 -0.103 25125
9457 1 14 . 1 1 94 94 TYR H H 94 8.150 8.150 7.783 0.367 25125
9458 1 14 . 1 1 95 95 GLN N N 95 119.787 119.787 115.843 3.944 25125
9459 1 14 . 1 1 95 95 GLN HA H 95 4.043 4.043 3.970 0.073 25125
9460 1 14 . 1 1 95 95 GLN C C 95 176.981 176.981 176.924 0.057 25125
9461 1 14 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.787 0.679 25125
9462 1 14 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.370 0.719 25125
9463 1 14 . 1 1 95 95 GLN H H 95 8.271 8.271 7.865 0.406 25125
9464 1 14 . 1 1 96 96 GLN N N 96 117.878 117.878 119.503 -1.625 25125
9465 1 14 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.250 0.095 25125
9466 1 14 . 1 1 96 96 GLN C C 96 175.854 175.854 176.257 -0.403 25125
9467 1 14 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.041 0.131 25125
9468 1 14 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.709 0.766 25125
9469 1 14 . 1 1 96 96 GLN H H 96 7.944 7.944 7.969 -0.025 25125
9470 1 14 . 1 1 97 97 GLY N N 97 106.670 106.670 105.828 0.842 25125
9471 1 14 . 1 1 97 97 GLY C C 97 174.231 174.231 172.934 1.297 25125
9472 1 14 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.733 0.753 25125
9473 1 14 . 1 1 97 97 GLY H H 97 7.949 7.949 7.387 0.562 25125
9474 1 14 . 1 1 98 98 ALA N N 98 122.898 122.898 121.376 1.522 25125
9475 1 14 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.547 -0.172 25125
9476 1 14 . 1 1 98 98 ALA C C 98 175.991 175.991 175.230 0.761 25125
9477 1 14 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.927 2.241 25125
9478 1 14 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.509 -1.540 25125
9479 1 14 . 1 1 98 98 ALA H H 98 7.808 7.808 7.157 0.651 25125
9480 1 14 . 1 1 99 99 PHE N N 99 123.484 123.484 118.619 4.865 25125
9481 1 14 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.454 -0.104 25125
9482 1 14 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.200 2.256 25125
9483 1 14 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.282 -0.842 25125
9484 1 14 . 1 1 99 99 PHE H H 99 7.704 7.704 8.116 -0.412 25125
9485 1 14 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.895 0.609 25125
9486 1 14 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.042 -1.560 25125
9487 1 14 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.137 4.063 25125
9488 1 14 . 1 1 101 101 TYR N N 101 118.148 118.148 120.371 -2.223 25125
9489 1 14 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.464 0.984 25125
9490 1 14 . 1 1 101 101 TYR C C 101 173.159 173.159 174.450 -1.291 25125
9491 1 14 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.691 -0.704 25125
9492 1 14 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.099 2.799 25125
9493 1 14 . 1 1 101 101 TYR H H 101 9.546 9.546 7.342 2.204 25125
9494 1 14 . 1 1 102 102 LEU N N 102 124.100 124.100 120.633 3.467 25125
9495 1 14 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.089 -0.369 25125
9496 1 14 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.159 -0.660 25125
9497 1 14 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.179 -0.118 25125
9498 1 14 . 1 1 102 102 LEU H H 102 8.901 8.901 8.737 0.164 25125
9499 1 14 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.683 0.210 25125
9500 1 14 . 1 1 103 103 PRO C C 103 175.524 175.524 175.382 0.142 25125
9501 1 14 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.421 -0.536 25125
9502 1 14 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.099 -0.292 25125
9503 1 14 . 1 1 104 104 LYS N N 104 118.848 118.848 121.553 -2.705 25125
9504 1 14 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.918 -0.405 25125
9505 1 14 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.785 -0.567 25125
9506 1 14 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.119 1.625 25125
9507 1 14 . 1 1 104 104 LYS H H 104 8.279 8.279 8.076 0.203 25125
9508 1 14 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.594 -0.295 25125
9509 1 14 . 1 1 105 105 PRO C C 105 175.001 175.001 175.355 -0.354 25125
9510 1 14 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.545 -0.151 25125
9511 1 14 . 1 1 105 105 PRO CB C 105 34.095 34.095 31.930 2.165 25125
9512 1 14 . 1 1 106 106 PHE N N 106 116.607 116.607 114.415 2.192 25125
9513 1 14 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.703 0.467 25125
9514 1 14 . 1 1 106 106 PHE C C 106 175.221 175.221 173.810 1.411 25125
9515 1 14 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.991 -2.556 25125
9516 1 14 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.180 0.220 25125
9517 1 14 . 1 1 106 106 PHE H H 106 7.457 7.457 7.506 -0.049 25125
9518 1 14 . 1 1 107 107 ASP N N 107 122.214 122.214 122.045 0.169 25125
9519 1 14 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.079 -0.247 25125
9520 1 14 . 1 1 107 107 ASP C C 107 177.778 177.778 177.154 0.624 25125
9521 1 14 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.410 -0.168 25125
9522 1 14 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.215 1.382 25125
9523 1 14 . 1 1 107 107 ASP H H 107 9.022 9.022 8.761 0.261 25125
9524 1 14 . 1 1 108 108 ILE N N 108 127.706 127.706 125.543 2.163 25125
9525 1 14 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.782 0.183 25125
9526 1 14 . 1 1 108 108 ILE C C 108 176.046 176.046 177.411 -1.365 25125
9527 1 14 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.653 -1.664 25125
9528 1 14 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.138 -0.384 25125
9529 1 14 . 1 1 108 108 ILE H H 108 8.860 8.860 8.742 0.118 25125
9530 1 14 . 1 1 109 109 ASP N N 109 120.058 120.058 119.302 0.756 25125
9531 1 14 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.352 0.036 25125
9532 1 14 . 1 1 109 109 ASP C C 109 179.786 179.786 179.008 0.778 25125
9533 1 14 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.546 -0.052 25125
9534 1 14 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.244 -0.190 25125
9535 1 14 . 1 1 109 109 ASP H H 109 8.079 8.079 8.565 -0.486 25125
9536 1 14 . 1 1 110 110 GLU N N 110 121.559 121.559 119.219 2.340 25125
9537 1 14 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.177 -0.109 25125
9538 1 14 . 1 1 110 110 GLU C C 110 179.043 179.043 178.540 0.503 25125
9539 1 14 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.458 0.368 25125
9540 1 14 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.991 -0.648 25125
9541 1 14 . 1 1 110 110 GLU H H 110 8.012 8.012 8.096 -0.084 25125
9542 1 14 . 1 1 111 111 ALA N N 111 122.267 122.267 123.493 -1.226 25125
9543 1 14 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.955 -0.201 25125
9544 1 14 . 1 1 111 111 ALA C C 111 178.493 178.493 179.522 -1.029 25125
9545 1 14 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.220 -0.048 25125
9546 1 14 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.245 0.137 25125
9547 1 14 . 1 1 111 111 ALA H H 111 7.897 7.897 7.777 0.120 25125
9548 1 14 . 1 1 112 112 VAL N N 112 116.527 116.527 117.884 -1.357 25125
9549 1 14 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.523 -0.356 25125
9550 1 14 . 1 1 112 112 VAL C C 112 177.201 177.201 177.746 -0.545 25125
9551 1 14 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.522 0.623 25125
9552 1 14 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.623 -0.071 25125
9553 1 14 . 1 1 112 112 VAL H H 112 8.018 8.018 8.417 -0.399 25125
9554 1 14 . 1 1 113 113 ALA N N 113 119.895 119.895 121.177 -1.282 25125
9555 1 14 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.223 -0.085 25125
9556 1 14 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.376 0.456 25125
9557 1 14 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.597 -0.725 25125
9558 1 14 . 1 1 113 113 ALA H H 113 7.673 7.673 7.337 0.336 25125
9559 1 14 . 1 1 114 114 LEU N N 114 120.650 120.650 120.729 -0.079 25125
9560 1 14 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.108 -0.025 25125
9561 1 14 . 1 1 114 114 LEU C C 114 178.466 178.466 178.269 0.197 25125
9562 1 14 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.621 0.399 25125
9563 1 14 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.070 -0.237 25125
9564 1 14 . 1 1 114 114 LEU H H 114 7.840 7.840 7.698 0.142 25125
9565 1 14 . 1 1 115 115 VAL N N 115 119.480 119.480 118.431 1.049 25125
9566 1 14 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.472 -0.260 25125
9567 1 14 . 1 1 115 115 VAL C C 115 177.448 177.448 177.135 0.313 25125
9568 1 14 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.001 1.200 25125
9569 1 14 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.508 -0.836 25125
9570 1 14 . 1 1 115 115 VAL H H 115 7.824 7.824 7.996 -0.172 25125
9571 1 14 . 1 1 116 116 GLU N N 116 117.473 117.473 118.896 -1.423 25125
9572 1 14 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.978 -0.189 25125
9573 1 14 . 1 1 116 116 GLU C C 116 179.566 179.566 178.479 1.087 25125
9574 1 14 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.620 0.310 25125
9575 1 14 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.346 -0.250 25125
9576 1 14 . 1 1 116 116 GLU H H 116 8.465 8.465 7.765 0.700 25125
9577 1 14 . 1 1 117 117 ARG N N 117 120.128 120.128 119.047 1.081 25125
9578 1 14 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.095 -0.031 25125
9579 1 14 . 1 1 117 117 ARG C C 117 178.438 178.438 177.368 1.070 25125
9580 1 14 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.749 0.529 25125
9581 1 14 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.995 0.281 25125
9582 1 14 . 1 1 117 117 ARG H H 117 8.012 8.012 7.374 0.638 25125
9583 1 14 . 1 1 118 118 ALA N N 118 122.270 122.270 120.061 2.209 25125
9584 1 14 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.919 -0.463 25125
9585 1 14 . 1 1 118 118 ALA C C 118 178.741 178.741 178.367 0.374 25125
9586 1 14 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.711 0.867 25125
9587 1 14 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.755 -0.597 25125
9588 1 14 . 1 1 118 118 ALA H H 118 7.958 7.958 7.170 0.788 25125
9589 1 14 . 1 1 119 119 ILE N N 119 115.269 115.269 117.806 -2.537 25125
9590 1 14 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.183 -0.455 25125
9591 1 14 . 1 1 119 119 ILE C C 119 177.366 177.366 178.248 -0.882 25125
9592 1 14 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.084 -0.415 25125
9593 1 14 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.743 -0.945 25125
9594 1 14 . 1 1 119 119 ILE H H 119 7.753 7.753 7.408 0.345 25125
9595 1 14 . 1 1 120 120 SER N N 120 115.135 115.135 115.064 0.071 25125
9596 1 14 . 1 1 120 120 SER HA H 120 4.275 4.275 4.099 0.176 25125
9597 1 14 . 1 1 120 120 SER C C 120 175.084 175.084 175.829 -0.745 25125
9598 1 14 . 1 1 120 120 SER CA C 120 59.816 59.816 60.950 -1.133 25125
9599 1 14 . 1 1 120 120 SER CB C 120 63.380 63.380 62.961 0.419 25125
9600 1 14 . 1 1 120 120 SER H H 120 7.816 7.816 8.174 -0.358 25125
9601 1 14 . 1 1 121 121 HIS N N 121 119.908 119.908 118.043 1.865 25125
9602 1 14 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.159 0.263 25125
9603 1 14 . 1 1 121 121 HIS C C 121 175.029 175.029 176.117 -1.088 25125
9604 1 14 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.578 -1.342 25125
9605 1 14 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.751 -0.323 25125
9606 1 14 . 1 1 121 121 HIS H H 121 7.910 7.910 7.880 0.030 25125
9607 1 14 . 1 1 122 122 TYR N N 122 118.880 118.880 116.784 2.096 25125
9608 1 14 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.501 -0.075 25125
9609 1 14 . 1 1 122 122 TYR C C 122 175.276 175.276 177.437 -2.161 25125
9610 1 14 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.952 -0.503 25125
9611 1 14 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.626 -0.022 25125
9612 1 14 . 1 1 122 122 TYR H H 122 7.766 7.766 7.770 -0.004 25125
9613 1 14 . 1 1 123 123 GLN N N 123 121.479 121.479 119.161 2.318 25125
9614 1 14 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.181 0.089 25125
9615 1 14 . 1 1 123 123 GLN C C 123 174.534 174.534 176.011 -1.477 25125
9616 1 14 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.634 -2.122 25125
9617 1 14 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.320 0.448 25125
9618 1 14 . 1 1 123 123 GLN H H 123 7.878 7.878 7.840 0.038 25125
9619 1 15 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.055 0.378 25125
9620 1 15 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.689 -1.125 25125
9621 1 15 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.637 2.963 25125
9622 1 15 . 1 1 3 3 ARG N N 3 121.252 121.252 117.168 4.084 25125
9623 1 15 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.094 0.271 25125
9624 1 15 . 1 1 3 3 ARG C C 3 175.634 175.634 176.014 -0.380 25125
9625 1 15 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.716 -0.725 25125
9626 1 15 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.108 1.189 25125
9627 1 15 . 1 1 3 3 ARG H H 3 8.429 8.429 8.138 0.291 25125
9628 1 15 . 1 1 4 4 GLY N N 4 107.663 107.663 107.025 0.638 25125
9629 1 15 . 1 1 4 4 GLY C C 4 171.041 171.041 173.320 -2.279 25125
9630 1 15 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.423 0.893 25125
9631 1 15 . 1 1 4 4 GLY H H 4 7.963 7.963 7.718 0.245 25125
9632 1 15 . 1 1 5 5 ILE N N 5 122.603 122.603 124.970 -2.367 25125
9633 1 15 . 1 1 5 5 ILE HA H 5 4.699 4.699 3.999 0.700 25125
9634 1 15 . 1 1 5 5 ILE C C 5 175.359 175.359 174.790 0.569 25125
9635 1 15 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.885 -1.275 25125
9636 1 15 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.342 0.235 25125
9637 1 15 . 1 1 5 5 ILE H H 5 9.610 9.610 8.346 1.264 25125
9638 1 15 . 1 1 6 6 VAL N N 6 127.905 127.905 126.287 1.618 25125
9639 1 15 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.983 -0.171 25125
9640 1 15 . 1 1 6 6 VAL C C 6 174.204 174.204 175.231 -1.027 25125
9641 1 15 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.895 -1.335 25125
9642 1 15 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.517 1.009 25125
9643 1 15 . 1 1 6 6 VAL H H 6 9.090 9.090 7.938 1.152 25125
9644 1 15 . 1 1 7 7 TRP N N 7 127.467 127.467 128.117 -0.650 25125
9645 1 15 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.229 1.225 25125
9646 1 15 . 1 1 7 7 TRP C C 7 175.056 175.056 175.398 -0.342 25125
9647 1 15 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.295 -1.417 25125
9648 1 15 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.578 1.556 25125
9649 1 15 . 1 1 7 7 TRP H H 7 8.497 8.497 8.138 0.359 25125
9650 1 15 . 1 1 8 8 VAL N N 8 122.068 122.068 119.866 2.202 25125
9651 1 15 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.477 0.609 25125
9652 1 15 . 1 1 8 8 VAL C C 8 173.874 173.874 173.902 -0.028 25125
9653 1 15 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.025 -0.539 25125
9654 1 15 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.582 0.133 25125
9655 1 15 . 1 1 8 8 VAL H H 8 8.583 8.583 9.242 -0.659 25125
9656 1 15 . 1 1 9 9 VAL N N 9 127.733 127.733 124.965 2.768 25125
9657 1 15 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.609 0.352 25125
9658 1 15 . 1 1 9 9 VAL C C 9 173.131 173.131 173.501 -0.370 25125
9659 1 15 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.233 -0.558 25125
9660 1 15 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.684 -1.773 25125
9661 1 15 . 1 1 9 9 VAL H H 9 9.107 9.107 8.560 0.547 25125
9662 1 15 . 1 1 10 10 ASP N N 10 124.306 124.306 126.772 -2.466 25125
9663 1 15 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.018 -0.449 25125
9664 1 15 . 1 1 10 10 ASP C C 10 175.029 175.029 174.474 0.555 25125
9665 1 15 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.661 1.086 25125
9666 1 15 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.819 1.290 25125
9667 1 15 . 1 1 10 10 ASP H H 10 7.775 7.775 8.008 -0.233 25125
9668 1 15 . 1 1 11 11 ASP N N 11 126.714 126.714 117.032 9.682 25125
9669 1 15 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.766 -0.231 25125
9670 1 15 . 1 1 11 11 ASP C C 11 175.689 175.689 174.691 0.998 25125
9671 1 15 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.061 1.657 25125
9672 1 15 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.286 -0.212 25125
9673 1 15 . 1 1 11 11 ASP H H 11 9.033 9.033 8.512 0.521 25125
9674 1 15 . 1 1 12 12 ASP N N 12 121.877 121.877 117.763 4.114 25125
9675 1 15 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.863 -0.217 25125
9676 1 15 . 1 1 12 12 ASP C C 12 177.036 177.036 176.097 0.939 25125
9677 1 15 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.323 -0.020 25125
9678 1 15 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.935 -2.771 25125
9679 1 15 . 1 1 12 12 ASP H H 12 9.570 9.570 7.708 1.862 25125
9680 1 15 . 1 1 13 13 SER N N 13 123.799 123.799 118.452 5.347 25125
9681 1 15 . 1 1 13 13 SER HA H 13 3.761 3.761 4.240 -0.479 25125
9682 1 15 . 1 1 13 13 SER C C 13 176.156 176.156 176.038 0.118 25125
9683 1 15 . 1 1 13 13 SER CA C 13 61.186 61.186 61.818 -0.632 25125
9684 1 15 . 1 1 13 13 SER CB C 13 62.749 62.749 63.387 -0.638 25125
9685 1 15 . 1 1 13 13 SER H H 13 8.850 8.850 8.825 0.025 25125
9686 1 15 . 1 1 14 14 SER N N 14 119.123 119.123 116.614 2.509 25125
9687 1 15 . 1 1 14 14 SER HA H 14 4.361 4.361 4.345 0.016 25125
9688 1 15 . 1 1 14 14 SER C C 14 176.404 176.404 176.300 0.104 25125
9689 1 15 . 1 1 14 14 SER CA C 14 61.730 61.730 60.986 0.744 25125
9690 1 15 . 1 1 14 14 SER CB C 14 62.548 62.548 62.825 -0.277 25125
9691 1 15 . 1 1 14 14 SER H H 14 8.531 8.531 8.816 -0.285 25125
9692 1 15 . 1 1 15 15 ILE N N 15 123.637 123.637 120.978 2.659 25125
9693 1 15 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.026 -0.081 25125
9694 1 15 . 1 1 15 15 ILE C C 15 177.861 177.861 177.324 0.537 25125
9695 1 15 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.875 -1.675 25125
9696 1 15 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.235 -1.349 25125
9697 1 15 . 1 1 15 15 ILE H H 15 7.206 7.206 8.038 -0.832 25125
9698 1 15 . 1 1 16 16 ARG N N 16 116.694 116.694 119.951 -3.257 25125
9699 1 15 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.256 -0.533 25125
9700 1 15 . 1 1 16 16 ARG C C 16 177.448 177.448 178.462 -1.014 25125
9701 1 15 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.821 2.752 25125
9702 1 15 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.734 0.713 25125
9703 1 15 . 1 1 16 16 ARG H H 16 7.562 7.562 7.534 0.028 25125
9704 1 15 . 1 1 17 17 TRP N N 17 116.848 116.848 123.450 -6.602 25125
9705 1 15 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.398 0.073 25125
9706 1 15 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.195 -0.755 25125
9707 1 15 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.567 -0.275 25125
9708 1 15 . 1 1 17 17 TRP H H 17 8.005 8.005 8.654 -0.649 25125
9709 1 15 . 1 1 18 18 VAL N N 18 116.964 116.964 116.495 0.469 25125
9710 1 15 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.798 0.877 25125
9711 1 15 . 1 1 18 18 VAL C C 18 179.181 179.181 177.763 1.418 25125
9712 1 15 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.962 -0.254 25125
9713 1 15 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.075 0.562 25125
9714 1 15 . 1 1 18 18 VAL H H 18 8.110 8.110 7.603 0.507 25125
9715 1 15 . 1 1 19 19 LEU N N 19 120.186 120.186 117.396 2.790 25125
9716 1 15 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.122 -0.047 25125
9717 1 15 . 1 1 19 19 LEU C C 19 177.778 177.778 178.920 -1.142 25125
9718 1 15 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.896 0.926 25125
9719 1 15 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.498 0.283 25125
9720 1 15 . 1 1 19 19 LEU H H 19 8.073 8.073 7.621 0.452 25125
9721 1 15 . 1 1 20 20 GLU N N 20 120.193 120.193 120.143 0.050 25125
9722 1 15 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.022 -0.081 25125
9723 1 15 . 1 1 20 20 GLU C C 20 178.603 178.603 178.494 0.109 25125
9724 1 15 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.329 1.281 25125
9725 1 15 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.879 -0.791 25125
9726 1 15 . 1 1 20 20 GLU H H 20 8.387 8.387 8.018 0.369 25125
9727 1 15 . 1 1 21 21 ARG N N 21 116.076 116.076 118.575 -2.499 25125
9728 1 15 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.905 -0.012 25125
9729 1 15 . 1 1 21 21 ARG C C 21 179.676 179.676 178.304 1.372 25125
9730 1 15 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.823 -0.374 25125
9731 1 15 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.242 0.611 25125
9732 1 15 . 1 1 21 21 ARG H H 21 7.602 7.602 8.232 -0.630 25125
9733 1 15 . 1 1 22 22 ALA N N 22 122.405 122.405 122.150 0.255 25125
9734 1 15 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.054 0.043 25125
9735 1 15 . 1 1 22 22 ALA C C 22 180.501 180.501 179.779 0.722 25125
9736 1 15 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.481 0.097 25125
9737 1 15 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.138 1.094 25125
9738 1 15 . 1 1 22 22 ALA H H 22 7.992 7.992 7.513 0.479 25125
9739 1 15 . 1 1 23 23 LEU N N 23 118.026 118.026 118.194 -0.168 25125
9740 1 15 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.267 -0.266 25125
9741 1 15 . 1 1 23 23 LEU C C 23 178.878 178.878 178.720 0.158 25125
9742 1 15 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.721 2.001 25125
9743 1 15 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.864 -2.209 25125
9744 1 15 . 1 1 23 23 LEU H H 23 8.825 8.825 7.565 1.260 25125
9745 1 15 . 1 1 24 24 ALA N N 24 122.159 122.159 121.936 0.223 25125
9746 1 15 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.058 0.575 25125
9747 1 15 . 1 1 24 24 ALA C C 24 183.141 183.141 178.586 4.555 25125
9748 1 15 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.429 0.318 25125
9749 1 15 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.609 -0.907 25125
9750 1 15 . 1 1 24 24 ALA H H 24 8.125 8.125 8.084 0.041 25125
9751 1 15 . 1 1 25 25 GLY N N 25 106.891 106.891 105.436 1.455 25125
9752 1 15 . 1 1 25 25 GLY C C 25 174.286 174.286 174.339 -0.053 25125
9753 1 15 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.026 1.395 25125
9754 1 15 . 1 1 25 25 GLY H H 25 7.870 7.870 7.938 -0.068 25125
9755 1 15 . 1 1 26 26 ALA N N 26 121.819 121.819 122.730 -0.911 25125
9756 1 15 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.571 -0.072 25125
9757 1 15 . 1 1 26 26 ALA C C 26 176.953 176.953 177.969 -1.016 25125
9758 1 15 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.259 0.260 25125
9759 1 15 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.733 -1.011 25125
9760 1 15 . 1 1 26 26 ALA H H 26 7.285 7.285 7.264 0.021 25125
9761 1 15 . 1 1 27 27 GLY N N 27 106.197 106.197 106.776 -0.579 25125
9762 1 15 . 1 1 27 27 GLY C C 27 173.956 173.956 173.129 0.827 25125
9763 1 15 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.563 0.753 25125
9764 1 15 . 1 1 27 27 GLY H H 27 7.824 7.824 8.600 -0.776 25125
9765 1 15 . 1 1 28 28 LEU N N 28 120.291 120.291 117.575 2.716 25125
9766 1 15 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.741 -0.166 25125
9767 1 15 . 1 1 28 28 LEU C C 28 175.881 175.881 176.385 -0.504 25125
9768 1 15 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.122 0.521 25125
9769 1 15 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.876 -2.390 25125
9770 1 15 . 1 1 28 28 LEU H H 28 7.678 7.678 7.090 0.588 25125
9771 1 15 . 1 1 29 29 THR N N 29 118.040 118.040 117.108 0.932 25125
9772 1 15 . 1 1 29 29 THR HA H 29 4.335 4.335 4.336 -0.001 25125
9773 1 15 . 1 1 29 29 THR C C 29 173.186 173.186 174.164 -0.978 25125
9774 1 15 . 1 1 29 29 THR CA C 29 62.479 62.479 63.546 -1.067 25125
9775 1 15 . 1 1 29 29 THR CB C 29 69.465 69.465 69.732 -0.267 25125
9776 1 15 . 1 1 29 29 THR H H 29 8.527 8.527 8.528 -0.001 25125
9777 1 15 . 1 1 30 30 CYS N N 30 128.387 128.387 120.995 7.392 25125
9778 1 15 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.470 0.473 25125
9779 1 15 . 1 1 30 30 CYS C C 30 173.846 173.846 174.120 -0.274 25125
9780 1 15 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.571 -0.209 25125
9781 1 15 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.173 0.307 25125
9782 1 15 . 1 1 30 30 CYS H H 30 8.968 8.968 8.541 0.427 25125
9783 1 15 . 1 1 31 31 THR N N 31 126.481 126.481 123.191 3.290 25125
9784 1 15 . 1 1 31 31 THR HA H 31 4.433 4.433 4.353 0.080 25125
9785 1 15 . 1 1 31 31 THR C C 31 172.609 172.609 173.803 -1.194 25125
9786 1 15 . 1 1 31 31 THR CA C 31 61.951 61.951 62.119 -0.168 25125
9787 1 15 . 1 1 31 31 THR CB C 31 70.567 70.567 69.192 1.375 25125
9788 1 15 . 1 1 31 31 THR H H 31 8.614 8.614 8.325 0.289 25125
9789 1 15 . 1 1 32 32 THR N N 32 116.418 116.418 118.066 -1.648 25125
9790 1 15 . 1 1 32 32 THR HA H 32 5.330 5.330 5.218 0.112 25125
9791 1 15 . 1 1 32 32 THR C C 32 172.306 172.306 173.304 -0.998 25125
9792 1 15 . 1 1 32 32 THR CA C 32 59.173 59.173 59.941 -0.769 25125
9793 1 15 . 1 1 32 32 THR CB C 32 70.917 70.917 70.087 0.830 25125
9794 1 15 . 1 1 32 32 THR H H 32 8.299 8.299 8.207 0.092 25125
9795 1 15 . 1 1 33 33 PHE N N 33 118.067 118.067 124.779 -6.712 25125
9796 1 15 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.843 -0.200 25125
9797 1 15 . 1 1 33 33 PHE C C 33 174.341 174.341 176.063 -1.722 25125
9798 1 15 . 1 1 33 33 PHE CA C 33 56.532 56.532 55.966 0.566 25125
9799 1 15 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.063 1.246 25125
9800 1 15 . 1 1 33 33 PHE H H 33 8.890 8.890 8.936 -0.046 25125
9801 1 15 . 1 1 34 34 GLU N N 34 118.499 118.499 117.057 1.442 25125
9802 1 15 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.734 -0.380 25125
9803 1 15 . 1 1 34 34 GLU C C 34 175.414 175.414 175.655 -0.241 25125
9804 1 15 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.385 0.307 25125
9805 1 15 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.379 0.088 25125
9806 1 15 . 1 1 34 34 GLU H H 34 9.023 9.023 8.753 0.270 25125
9807 1 15 . 1 1 35 35 ASN N N 35 109.907 109.907 118.401 -8.494 25125
9808 1 15 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.978 -0.197 25125
9809 1 15 . 1 1 35 35 ASN C C 35 175.139 175.139 176.334 -1.195 25125
9810 1 15 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.215 -0.069 25125
9811 1 15 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.148 1.175 25125
9812 1 15 . 1 1 35 35 ASN H H 35 7.401 7.401 7.896 -0.495 25125
9813 1 15 . 1 1 36 36 GLY N N 36 106.739 106.739 112.595 -5.856 25125
9814 1 15 . 1 1 36 36 GLY C C 36 174.616 174.616 175.485 -0.869 25125
9815 1 15 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.306 -0.290 25125
9816 1 15 . 1 1 36 36 GLY H H 36 8.877 8.877 9.016 -0.139 25125
9817 1 15 . 1 1 37 37 ASN N N 37 120.462 120.462 118.304 2.158 25125
9818 1 15 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.453 -0.091 25125
9819 1 15 . 1 1 37 37 ASN C C 37 178.686 178.686 177.336 1.350 25125
9820 1 15 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.971 0.561 25125
9821 1 15 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.481 -0.897 25125
9822 1 15 . 1 1 37 37 ASN H H 37 8.366 8.366 8.682 -0.316 25125
9823 1 15 . 1 1 38 38 GLU N N 38 119.360 119.360 117.307 2.053 25125
9824 1 15 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.244 -0.174 25125
9825 1 15 . 1 1 38 38 GLU C C 38 179.263 179.263 177.603 1.660 25125
9826 1 15 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.355 1.277 25125
9827 1 15 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.504 1.028 25125
9828 1 15 . 1 1 38 38 GLU H H 38 7.990 7.990 8.147 -0.157 25125
9829 1 15 . 1 1 39 39 VAL N N 39 119.259 119.259 119.662 -0.403 25125
9830 1 15 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.260 -0.492 25125
9831 1 15 . 1 1 39 39 VAL C C 39 176.431 176.431 177.749 -1.318 25125
9832 1 15 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.392 1.551 25125
9833 1 15 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.264 -0.189 25125
9834 1 15 . 1 1 39 39 VAL H H 39 6.883 6.883 7.751 -0.868 25125
9835 1 15 . 1 1 40 40 LEU N N 40 119.627 119.627 121.395 -1.768 25125
9836 1 15 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.004 -0.077 25125
9837 1 15 . 1 1 40 40 LEU C C 40 179.538 179.538 178.132 1.406 25125
9838 1 15 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.273 -0.333 25125
9839 1 15 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.278 -0.210 25125
9840 1 15 . 1 1 40 40 LEU H H 40 7.692 7.692 8.156 -0.464 25125
9841 1 15 . 1 1 41 41 ALA N N 41 120.051 120.051 119.939 0.112 25125
9842 1 15 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.146 -0.006 25125
9843 1 15 . 1 1 41 41 ALA C C 41 180.528 180.528 179.594 0.934 25125
9844 1 15 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.437 0.213 25125
9845 1 15 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.912 -0.046 25125
9846 1 15 . 1 1 41 41 ALA H H 41 7.553 7.553 8.010 -0.457 25125
9847 1 15 . 1 1 42 42 ALA N N 42 122.731 122.731 122.660 0.071 25125
9848 1 15 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.104 0.095 25125
9849 1 15 . 1 1 42 42 ALA C C 42 180.198 180.198 180.301 -0.103 25125
9850 1 15 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.519 0.513 25125
9851 1 15 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.132 1.267 25125
9852 1 15 . 1 1 42 42 ALA H H 42 7.604 7.604 7.219 0.385 25125
9853 1 15 . 1 1 43 43 LEU N N 43 119.131 119.131 118.403 0.728 25125
9854 1 15 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.029 1.177 25125
9855 1 15 . 1 1 43 43 LEU C C 43 177.421 177.421 178.846 -1.425 25125
9856 1 15 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.534 -1.989 25125
9857 1 15 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.089 1.515 25125
9858 1 15 . 1 1 43 43 LEU H H 43 8.288 8.288 8.017 0.271 25125
9859 1 15 . 1 1 44 44 ALA N N 44 119.065 119.065 117.950 1.115 25125
9860 1 15 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.183 0.046 25125
9861 1 15 . 1 1 44 44 ALA C C 44 178.686 178.686 178.585 0.101 25125
9862 1 15 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.765 0.473 25125
9863 1 15 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.503 0.013 25125
9864 1 15 . 1 1 44 44 ALA H H 44 7.302 7.302 7.683 -0.381 25125
9865 1 15 . 1 1 45 45 SER N N 45 108.656 108.656 114.875 -6.219 25125
9866 1 15 . 1 1 45 45 SER HA H 45 4.742 4.742 4.386 0.356 25125
9867 1 15 . 1 1 45 45 SER C C 45 173.296 173.296 176.062 -2.766 25125
9868 1 15 . 1 1 45 45 SER CA C 45 58.656 58.656 60.889 -2.233 25125
9869 1 15 . 1 1 45 45 SER CB C 45 65.407 65.407 63.772 1.635 25125
9870 1 15 . 1 1 45 45 SER H H 45 7.728 7.728 8.090 -0.362 25125
9871 1 15 . 1 1 46 46 LYS N N 46 123.016 123.016 116.888 6.128 25125
9872 1 15 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.627 -0.041 25125
9873 1 15 . 1 1 46 46 LYS C C 46 172.719 172.719 175.500 -2.781 25125
9874 1 15 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.219 -0.707 25125
9875 1 15 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.100 2.125 25125
9876 1 15 . 1 1 46 46 LYS H H 46 8.101 8.101 7.929 0.172 25125
9877 1 15 . 1 1 47 47 THR N N 47 111.780 111.780 113.149 -1.369 25125
9878 1 15 . 1 1 47 47 THR HA H 47 4.282 4.282 3.930 0.352 25125
9879 1 15 . 1 1 47 47 THR CA C 47 57.806 57.806 62.064 -4.258 25125
9880 1 15 . 1 1 47 47 THR CB C 47 70.594 70.594 67.529 3.065 25125
9881 1 15 . 1 1 47 47 THR H H 47 7.677 7.677 7.807 -0.130 25125
9882 1 15 . 1 1 48 48 PRO HA H 48 3.905 3.905 4.026 -0.121 25125
9883 1 15 . 1 1 48 48 PRO C C 48 172.966 172.966 175.833 -2.867 25125
9884 1 15 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.149 -1.284 25125
9885 1 15 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.721 -1.444 25125
9886 1 15 . 1 1 49 49 ASP N N 49 115.035 115.035 117.330 -2.295 25125
9887 1 15 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.847 -0.403 25125
9888 1 15 . 1 1 49 49 ASP C C 49 175.634 175.634 175.489 0.145 25125
9889 1 15 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.953 1.494 25125
9890 1 15 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.271 -0.759 25125
9891 1 15 . 1 1 49 49 ASP H H 49 8.502 8.502 7.967 0.535 25125
9892 1 15 . 1 1 50 50 VAL N N 50 112.082 112.082 116.591 -4.509 25125
9893 1 15 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.593 -0.313 25125
9894 1 15 . 1 1 50 50 VAL C C 50 171.454 171.454 172.919 -1.465 25125
9895 1 15 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.463 -0.901 25125
9896 1 15 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.884 0.752 25125
9897 1 15 . 1 1 50 50 VAL H H 50 7.173 7.173 7.141 0.032 25125
9898 1 15 . 1 1 51 51 LEU N N 51 128.247 128.247 127.524 0.723 25125
9899 1 15 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.311 0.008 25125
9900 1 15 . 1 1 51 51 LEU C C 51 173.104 173.104 175.074 -1.970 25125
9901 1 15 . 1 1 51 51 LEU CA C 51 53.218 53.218 52.877 0.341 25125
9902 1 15 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.388 0.118 25125
9903 1 15 . 1 1 51 51 LEU H H 51 8.059 8.059 7.975 0.084 25125
9904 1 15 . 1 1 52 52 LEU N N 52 128.407 128.407 122.145 6.262 25125
9905 1 15 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.168 0.333 25125
9906 1 15 . 1 1 52 52 LEU C C 52 175.414 175.414 176.476 -1.062 25125
9907 1 15 . 1 1 52 52 LEU CA C 52 54.323 54.323 53.673 0.650 25125
9908 1 15 . 1 1 52 52 LEU CB C 52 44.521 44.521 41.458 3.063 25125
9909 1 15 . 1 1 52 52 LEU H H 52 9.242 9.242 8.292 0.950 25125
9910 1 15 . 1 1 53 53 SER N N 53 114.946 114.946 118.100 -3.154 25125
9911 1 15 . 1 1 53 53 SER HA H 53 5.595 5.595 4.227 1.368 25125
9912 1 15 . 1 1 53 53 SER C C 53 174.644 174.644 173.239 1.405 25125
9913 1 15 . 1 1 53 53 SER CA C 53 55.954 55.954 60.262 -4.308 25125
9914 1 15 . 1 1 53 53 SER CB C 53 66.473 66.473 64.133 2.340 25125
9915 1 15 . 1 1 53 53 SER H H 53 8.695 8.695 8.075 0.620 25125
9916 1 15 . 1 1 54 54 ASP N N 54 128.341 128.341 126.940 1.401 25125
9917 1 15 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.239 0.086 25125
9918 1 15 . 1 1 54 54 ASP C C 54 176.816 176.816 175.704 1.112 25125
9919 1 15 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.724 1.769 25125
9920 1 15 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.290 -0.962 25125
9921 1 15 . 1 1 54 54 ASP H H 54 7.886 7.886 8.018 -0.132 25125
9922 1 15 . 1 1 55 55 ILE N N 55 121.229 121.229 125.637 -4.408 25125
9923 1 15 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.983 0.202 25125
9924 1 15 . 1 1 55 55 ILE C C 55 175.084 175.084 174.399 0.685 25125
9925 1 15 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.984 -0.442 25125
9926 1 15 . 1 1 55 55 ILE CB C 55 39.029 39.029 37.152 1.877 25125
9927 1 15 . 1 1 55 55 ILE H H 55 8.722 8.722 8.412 0.310 25125
9928 1 15 . 1 1 56 56 ARG N N 56 124.188 124.188 122.734 1.454 25125
9929 1 15 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.457 0.048 25125
9930 1 15 . 1 1 56 56 ARG C C 56 175.661 175.661 174.370 1.291 25125
9931 1 15 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.039 -0.598 25125
9932 1 15 . 1 1 56 56 ARG CB C 56 30.362 30.362 29.984 0.378 25125
9933 1 15 . 1 1 56 56 ARG H H 56 8.499 8.499 8.235 0.264 25125
9934 1 15 . 1 1 57 57 MET N N 57 122.581 122.581 117.414 5.167 25125
9935 1 15 . 1 1 57 57 MET HA H 57 4.821 4.821 5.008 -0.187 25125
9936 1 15 . 1 1 57 57 MET CA C 57 53.132 53.132 53.085 0.047 25125
9937 1 15 . 1 1 57 57 MET CB C 57 33.445 33.445 32.984 0.461 25125
9938 1 15 . 1 1 57 57 MET H H 57 7.956 7.956 7.705 0.251 25125
9939 1 15 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.490 -0.097 25125
9940 1 15 . 1 1 58 58 PRO C C 58 177.806 177.806 178.033 -0.227 25125
9941 1 15 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.090 0.409 25125
9942 1 15 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.310 -0.503 25125
9943 1 15 . 1 1 59 59 GLY N N 59 111.082 111.082 107.986 3.096 25125
9944 1 15 . 1 1 59 59 GLY C C 59 173.626 173.626 175.014 -1.388 25125
9945 1 15 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.880 -0.290 25125
9946 1 15 . 1 1 59 59 GLY H H 59 8.653 8.653 8.388 0.265 25125
9947 1 15 . 1 1 60 60 MET N N 60 120.052 120.052 121.320 -1.268 25125
9948 1 15 . 1 1 60 60 MET HA H 60 4.525 4.525 4.336 0.189 25125
9949 1 15 . 1 1 60 60 MET C C 60 173.956 173.956 175.039 -1.083 25125
9950 1 15 . 1 1 60 60 MET CA C 60 55.047 55.047 56.267 -1.220 25125
9951 1 15 . 1 1 60 60 MET CB C 60 34.506 34.506 33.396 1.110 25125
9952 1 15 . 1 1 60 60 MET H H 60 7.968 7.968 8.201 -0.233 25125
9953 1 15 . 1 1 61 61 ASP N N 61 121.306 121.306 116.653 4.653 25125
9954 1 15 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.859 -0.155 25125
9955 1 15 . 1 1 61 61 ASP C C 61 176.761 176.761 176.986 -0.225 25125
9956 1 15 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.872 -0.143 25125
9957 1 15 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.905 -0.836 25125
9958 1 15 . 1 1 61 61 ASP H H 61 8.379 8.379 8.420 -0.041 25125
9959 1 15 . 1 1 62 62 GLY N N 62 110.874 110.874 109.397 1.477 25125
9960 1 15 . 1 1 62 62 GLY C C 62 175.194 175.194 175.826 -0.632 25125
9961 1 15 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.815 0.286 25125
9962 1 15 . 1 1 62 62 GLY H H 62 8.707 8.707 8.462 0.245 25125
9963 1 15 . 1 1 63 63 LEU N N 63 121.299 121.299 119.426 1.873 25125
9964 1 15 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.513 -0.336 25125
9965 1 15 . 1 1 63 63 LEU C C 63 178.356 178.356 178.259 0.097 25125
9966 1 15 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.470 1.408 25125
9967 1 15 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.455 0.783 25125
9968 1 15 . 1 1 63 63 LEU H H 63 8.045 8.045 7.812 0.233 25125
9969 1 15 . 1 1 64 64 ALA N N 64 122.741 122.741 123.225 -0.484 25125
9970 1 15 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.103 -0.041 25125
9971 1 15 . 1 1 64 64 ALA C C 64 180.556 180.556 179.276 1.280 25125
9972 1 15 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.130 -0.515 25125
9973 1 15 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.682 0.318 25125
9974 1 15 . 1 1 64 64 ALA H H 64 7.859 7.859 8.280 -0.421 25125
9975 1 15 . 1 1 65 65 LEU N N 65 120.287 120.287 115.400 4.887 25125
9976 1 15 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.364 -0.302 25125
9977 1 15 . 1 1 65 65 LEU C C 65 178.191 178.191 178.487 -0.296 25125
9978 1 15 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.729 1.290 25125
9979 1 15 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.055 -0.817 25125
9980 1 15 . 1 1 65 65 LEU H H 65 8.022 8.022 7.728 0.294 25125
9981 1 15 . 1 1 66 66 LEU N N 66 118.738 118.738 120.904 -2.166 25125
9982 1 15 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.140 -0.282 25125
9983 1 15 . 1 1 66 66 LEU C C 66 178.631 178.631 178.745 -0.114 25125
9984 1 15 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.064 1.282 25125
9985 1 15 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.109 0.129 25125
9986 1 15 . 1 1 66 66 LEU H H 66 8.101 8.101 7.735 0.366 25125
9987 1 15 . 1 1 67 67 LYS N N 67 117.842 117.842 116.632 1.210 25125
9988 1 15 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.039 -0.057 25125
9989 1 15 . 1 1 67 67 LYS C C 67 179.263 179.263 178.844 0.419 25125
9990 1 15 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.686 1.111 25125
9991 1 15 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.879 0.328 25125
9992 1 15 . 1 1 67 67 LYS H H 67 8.010 8.010 8.565 -0.555 25125
9993 1 15 . 1 1 68 68 GLN N N 68 118.875 118.875 117.662 1.213 25125
9994 1 15 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.296 -0.240 25125
9995 1 15 . 1 1 68 68 GLN C C 68 179.071 179.071 177.508 1.563 25125
9996 1 15 . 1 1 68 68 GLN CA C 68 59.073 59.073 57.868 1.205 25125
9997 1 15 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.207 0.404 25125
9998 1 15 . 1 1 68 68 GLN H H 68 7.809 7.809 7.578 0.231 25125
9999 1 15 . 1 1 69 69 ILE N N 69 120.377 120.377 121.137 -0.760 25125
10000 1 15 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.945 -0.415 25125
10001 1 15 . 1 1 69 69 ILE C C 69 177.421 177.421 178.164 -0.743 25125
10002 1 15 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.600 1.278 25125
10003 1 15 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.516 0.068 25125
10004 1 15 . 1 1 69 69 ILE H H 69 8.481 8.481 7.967 0.514 25125
10005 1 15 . 1 1 70 70 LYS N N 70 117.873 117.873 117.653 0.220 25125
10006 1 15 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.204 -0.244 25125
10007 1 15 . 1 1 70 70 LYS C C 70 178.053 178.053 177.716 0.337 25125
10008 1 15 . 1 1 70 70 LYS CA C 70 57.088 57.088 57.949 -0.861 25125
10009 1 15 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.927 -0.715 25125
10010 1 15 . 1 1 70 70 LYS H H 70 8.220 8.220 7.723 0.497 25125
10011 1 15 . 1 1 71 71 GLN N N 71 116.315 116.315 117.306 -0.991 25125
10012 1 15 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.249 -0.257 25125
10013 1 15 . 1 1 71 71 GLN C C 71 177.366 177.366 177.715 -0.349 25125
10014 1 15 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.621 0.569 25125
10015 1 15 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.251 -0.586 25125
10016 1 15 . 1 1 71 71 GLN H H 71 7.601 7.601 7.401 0.200 25125
10017 1 15 . 1 1 72 72 ARG N N 72 116.530 116.530 118.072 -1.542 25125
10018 1 15 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.147 -0.117 25125
10019 1 15 . 1 1 72 72 ARG C C 72 175.826 175.826 175.766 0.060 25125
10020 1 15 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.128 0.094 25125
10021 1 15 . 1 1 72 72 ARG CB C 72 31.802 31.802 32.008 -0.206 25125
10022 1 15 . 1 1 72 72 ARG H H 72 7.301 7.301 8.247 -0.946 25125
10023 1 15 . 1 1 73 73 HIS N N 73 116.755 116.755 116.811 -0.056 25125
10024 1 15 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.878 0.082 25125
10025 1 15 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.099 0.119 25125
10026 1 15 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.381 0.181 25125
10027 1 15 . 1 1 73 73 HIS H H 73 8.331 8.331 7.903 0.428 25125
10028 1 15 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.505 -0.006 25125
10029 1 15 . 1 1 74 74 PRO C C 74 178.466 178.466 177.638 0.828 25125
10030 1 15 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.907 0.206 25125
10031 1 15 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.239 -0.144 25125
10032 1 15 . 1 1 75 75 MET N N 75 114.814 114.814 113.756 1.058 25125
10033 1 15 . 1 1 75 75 MET HA H 75 4.567 4.567 4.443 0.124 25125
10034 1 15 . 1 1 75 75 MET C C 75 176.046 176.046 175.566 0.480 25125
10035 1 15 . 1 1 75 75 MET CA C 75 54.266 54.266 56.127 -1.861 25125
10036 1 15 . 1 1 75 75 MET CB C 75 31.288 31.288 31.700 -0.412 25125
10037 1 15 . 1 1 75 75 MET H H 75 8.623 8.623 7.783 0.840 25125
10038 1 15 . 1 1 76 76 LEU N N 76 125.533 125.533 123.848 1.685 25125
10039 1 15 . 1 1 76 76 LEU HA H 76 4.305 4.305 5.020 -0.715 25125
10040 1 15 . 1 1 76 76 LEU CA C 76 53.112 53.112 50.929 2.183 25125
10041 1 15 . 1 1 76 76 LEU CB C 76 43.685 43.685 44.366 -0.681 25125
10042 1 15 . 1 1 76 76 LEU H H 76 7.337 7.337 7.092 0.245 25125
10043 1 15 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.401 0.045 25125
10044 1 15 . 1 1 77 77 PRO C C 77 174.974 174.974 175.128 -0.154 25125
10045 1 15 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.612 0.215 25125
10046 1 15 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.289 -0.567 25125
10047 1 15 . 1 1 78 78 VAL N N 78 123.779 123.779 119.992 3.787 25125
10048 1 15 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.762 0.262 25125
10049 1 15 . 1 1 78 78 VAL C C 78 175.441 175.441 175.211 0.230 25125
10050 1 15 . 1 1 78 78 VAL CA C 78 60.193 60.193 61.026 -0.833 25125
10051 1 15 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.364 -2.070 25125
10052 1 15 . 1 1 78 78 VAL H H 78 8.317 8.317 8.232 0.085 25125
10053 1 15 . 1 1 79 79 ILE N N 79 128.334 128.334 121.377 6.957 25125
10054 1 15 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.806 -0.325 25125
10055 1 15 . 1 1 79 79 ILE C C 79 174.479 174.479 174.790 -0.311 25125
10056 1 15 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.186 -0.664 25125
10057 1 15 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.248 -2.285 25125
10058 1 15 . 1 1 79 79 ILE H H 79 9.292 9.292 8.772 0.520 25125
10059 1 15 . 1 1 80 80 ILE N N 80 127.023 127.023 126.740 0.283 25125
10060 1 15 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.378 0.481 25125
10061 1 15 . 1 1 80 80 ILE C C 80 175.029 175.029 175.144 -0.115 25125
10062 1 15 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.120 -1.963 25125
10063 1 15 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.089 -1.145 25125
10064 1 15 . 1 1 80 80 ILE H H 80 7.938 7.938 8.905 -0.967 25125
10065 1 15 . 1 1 81 81 MET N N 81 127.255 127.255 125.237 2.018 25125
10066 1 15 . 1 1 81 81 MET HA H 81 5.521 5.521 5.452 0.069 25125
10067 1 15 . 1 1 81 81 MET C C 81 174.534 174.534 175.390 -0.856 25125
10068 1 15 . 1 1 81 81 MET CA C 81 53.513 53.513 54.808 -1.295 25125
10069 1 15 . 1 1 81 81 MET CB C 81 35.483 35.483 35.902 -0.419 25125
10070 1 15 . 1 1 81 81 MET H H 81 8.801 8.801 8.643 0.158 25125
10071 1 15 . 1 1 82 82 THR N N 82 112.857 112.857 117.690 -4.833 25125
10072 1 15 . 1 1 82 82 THR HA H 82 4.914 4.914 4.426 0.488 25125
10073 1 15 . 1 1 82 82 THR C C 82 172.581 172.581 173.328 -0.747 25125
10074 1 15 . 1 1 82 82 THR CA C 82 59.561 59.561 62.752 -3.191 25125
10075 1 15 . 1 1 82 82 THR CB C 82 69.989 69.989 69.833 0.156 25125
10076 1 15 . 1 1 82 82 THR H H 82 7.623 7.623 8.387 -0.764 25125
10077 1 15 . 1 1 83 83 ALA N N 83 129.541 129.541 124.036 5.505 25125
10078 1 15 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.930 0.778 25125
10079 1 15 . 1 1 83 83 ALA CA C 83 52.538 52.538 52.955 -0.417 25125
10080 1 15 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.652 1.495 25125
10081 1 15 . 1 1 83 83 ALA H H 83 9.149 9.149 8.009 1.140 25125
10082 1 15 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.208 0.064 25125
10083 1 15 . 1 1 84 84 HIS CA C 84 59.700 59.700 56.318 3.382 25125
10084 1 15 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.356 1.662 25125
10085 1 15 . 1 1 85 85 SER N N 85 112.633 112.633 117.449 -4.816 25125
10086 1 15 . 1 1 85 85 SER HA H 85 4.198 4.198 4.103 0.095 25125
10087 1 15 . 1 1 85 85 SER C C 85 174.506 174.506 173.673 0.833 25125
10088 1 15 . 1 1 85 85 SER CA C 85 59.823 59.823 60.620 -0.797 25125
10089 1 15 . 1 1 85 85 SER CB C 85 62.693 62.693 62.741 -0.048 25125
10090 1 15 . 1 1 85 85 SER H H 85 8.224 8.224 8.685 -0.461 25125
10091 1 15 . 1 1 86 86 ASP N N 86 120.886 120.886 124.526 -3.640 25125
10092 1 15 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.380 0.556 25125
10093 1 15 . 1 1 86 86 ASP C C 86 175.881 175.881 176.911 -1.030 25125
10094 1 15 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.305 -1.371 25125
10095 1 15 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.710 1.293 25125
10096 1 15 . 1 1 86 86 ASP H H 86 7.608 7.608 8.265 -0.657 25125
10097 1 15 . 1 1 87 87 LEU N N 87 121.913 121.913 121.494 0.419 25125
10098 1 15 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.770 0.149 25125
10099 1 15 . 1 1 87 87 LEU C C 87 177.586 177.586 177.598 -0.012 25125
10100 1 15 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.105 -0.268 25125
10101 1 15 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.813 0.502 25125
10102 1 15 . 1 1 87 87 LEU H H 87 7.498 7.498 7.613 -0.115 25125
10103 1 15 . 1 1 88 88 ASP N N 88 117.621 117.621 117.707 -0.086 25125
10104 1 15 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.202 0.070 25125
10105 1 15 . 1 1 88 88 ASP C C 88 178.246 178.246 177.535 0.711 25125
10106 1 15 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.401 -0.591 25125
10107 1 15 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.803 -0.669 25125
10108 1 15 . 1 1 88 88 ASP H H 88 8.322 8.322 8.602 -0.280 25125
10109 1 15 . 1 1 89 89 ALA N N 89 122.874 122.874 120.971 1.903 25125
10110 1 15 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.255 -0.161 25125
10111 1 15 . 1 1 89 89 ALA C C 89 179.346 179.346 179.335 0.011 25125
10112 1 15 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.467 -0.314 25125
10113 1 15 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.653 -0.392 25125
10114 1 15 . 1 1 89 89 ALA H H 89 7.838 7.838 7.243 0.595 25125
10115 1 15 . 1 1 90 90 ALA N N 90 121.673 121.673 121.090 0.583 25125
10116 1 15 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.263 -0.330 25125
10117 1 15 . 1 1 90 90 ALA C C 90 178.686 178.686 179.659 -0.973 25125
10118 1 15 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.579 0.084 25125
10119 1 15 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.185 0.197 25125
10120 1 15 . 1 1 90 90 ALA H H 90 7.896 7.896 7.422 0.474 25125
10121 1 15 . 1 1 91 91 VAL N N 91 117.749 117.749 119.023 -1.274 25125
10122 1 15 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.990 -0.378 25125
10123 1 15 . 1 1 91 91 VAL C C 91 178.411 178.411 178.308 0.103 25125
10124 1 15 . 1 1 91 91 VAL CA C 91 65.181 65.181 65.939 -0.758 25125
10125 1 15 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.559 0.078 25125
10126 1 15 . 1 1 91 91 VAL H H 91 8.098 8.098 8.521 -0.423 25125
10127 1 15 . 1 1 92 92 SER N N 92 114.942 114.942 113.246 1.696 25125
10128 1 15 . 1 1 92 92 SER HA H 92 4.231 4.231 4.419 -0.188 25125
10129 1 15 . 1 1 92 92 SER C C 92 175.826 175.826 174.946 0.880 25125
10130 1 15 . 1 1 92 92 SER CA C 92 60.649 60.649 59.796 0.853 25125
10131 1 15 . 1 1 92 92 SER CB C 92 63.063 63.063 63.621 -0.558 25125
10132 1 15 . 1 1 92 92 SER H H 92 7.825 7.825 8.019 -0.194 25125
10133 1 15 . 1 1 93 93 ALA N N 93 122.580 122.580 123.317 -0.737 25125
10134 1 15 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.399 -0.342 25125
10135 1 15 . 1 1 93 93 ALA C C 93 178.906 178.906 179.445 -0.539 25125
10136 1 15 . 1 1 93 93 ALA CA C 93 54.317 54.317 53.803 0.514 25125
10137 1 15 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.869 -0.572 25125
10138 1 15 . 1 1 93 93 ALA H H 93 7.861 7.861 7.697 0.164 25125
10139 1 15 . 1 1 94 94 TYR N N 94 118.447 118.447 121.741 -3.294 25125
10140 1 15 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.189 0.303 25125
10141 1 15 . 1 1 94 94 TYR C C 94 177.393 177.393 177.243 0.150 25125
10142 1 15 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.687 -1.436 25125
10143 1 15 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.575 -0.141 25125
10144 1 15 . 1 1 94 94 TYR H H 94 8.150 8.150 8.105 0.045 25125
10145 1 15 . 1 1 95 95 GLN N N 95 119.787 119.787 116.326 3.461 25125
10146 1 15 . 1 1 95 95 GLN HA H 95 4.043 4.043 3.998 0.045 25125
10147 1 15 . 1 1 95 95 GLN C C 95 176.981 176.981 178.091 -1.110 25125
10148 1 15 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.950 0.516 25125
10149 1 15 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.560 0.529 25125
10150 1 15 . 1 1 95 95 GLN H H 95 8.271 8.271 7.883 0.388 25125
10151 1 15 . 1 1 96 96 GLN N N 96 117.878 117.878 119.842 -1.964 25125
10152 1 15 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.248 0.097 25125
10153 1 15 . 1 1 96 96 GLN C C 96 175.854 175.854 176.093 -0.239 25125
10154 1 15 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.678 0.493 25125
10155 1 15 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.117 1.358 25125
10156 1 15 . 1 1 96 96 GLN H H 96 7.944 7.944 7.968 -0.024 25125
10157 1 15 . 1 1 97 97 GLY N N 97 106.670 106.670 105.521 1.149 25125
10158 1 15 . 1 1 97 97 GLY C C 97 174.231 174.231 172.931 1.300 25125
10159 1 15 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.835 0.651 25125
10160 1 15 . 1 1 97 97 GLY H H 97 7.949 7.949 7.880 0.069 25125
10161 1 15 . 1 1 98 98 ALA N N 98 122.898 122.898 121.526 1.372 25125
10162 1 15 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.526 -0.151 25125
10163 1 15 . 1 1 98 98 ALA C C 98 175.991 175.991 175.210 0.781 25125
10164 1 15 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.897 2.272 25125
10165 1 15 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.545 -1.576 25125
10166 1 15 . 1 1 98 98 ALA H H 98 7.808 7.808 7.128 0.680 25125
10167 1 15 . 1 1 99 99 PHE N N 99 123.484 123.484 118.611 4.873 25125
10168 1 15 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.486 -0.136 25125
10169 1 15 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.029 2.427 25125
10170 1 15 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.573 -1.133 25125
10171 1 15 . 1 1 99 99 PHE H H 99 7.704 7.704 8.098 -0.394 25125
10172 1 15 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.910 0.594 25125
10173 1 15 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.063 -1.581 25125
10174 1 15 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.349 3.851 25125
10175 1 15 . 1 1 101 101 TYR N N 101 118.148 118.148 122.084 -3.936 25125
10176 1 15 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.472 0.976 25125
10177 1 15 . 1 1 101 101 TYR C C 101 173.159 173.159 174.273 -1.114 25125
10178 1 15 . 1 1 101 101 TYR CA C 101 55.987 55.987 57.255 -1.268 25125
10179 1 15 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.037 2.861 25125
10180 1 15 . 1 1 101 101 TYR H H 101 9.546 9.546 7.577 1.969 25125
10181 1 15 . 1 1 102 102 LEU N N 102 124.100 124.100 119.272 4.828 25125
10182 1 15 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.086 -0.366 25125
10183 1 15 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.730 -1.231 25125
10184 1 15 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.862 -0.801 25125
10185 1 15 . 1 1 102 102 LEU H H 102 8.901 8.901 8.947 -0.046 25125
10186 1 15 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.490 0.403 25125
10187 1 15 . 1 1 103 103 PRO C C 103 175.524 175.524 175.602 -0.078 25125
10188 1 15 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.356 -0.471 25125
10189 1 15 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.388 -0.581 25125
10190 1 15 . 1 1 104 104 LYS N N 104 118.848 118.848 121.396 -2.548 25125
10191 1 15 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.839 -0.326 25125
10192 1 15 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.864 -0.646 25125
10193 1 15 . 1 1 104 104 LYS CB C 104 34.744 34.744 34.265 0.479 25125
10194 1 15 . 1 1 104 104 LYS H H 104 8.279 8.279 8.377 -0.098 25125
10195 1 15 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.305 -0.006 25125
10196 1 15 . 1 1 105 105 PRO C C 105 175.001 175.001 175.407 -0.406 25125
10197 1 15 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.682 -0.288 25125
10198 1 15 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.252 1.843 25125
10199 1 15 . 1 1 106 106 PHE N N 106 116.607 116.607 114.220 2.387 25125
10200 1 15 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.736 0.434 25125
10201 1 15 . 1 1 106 106 PHE C C 106 175.221 175.221 174.162 1.059 25125
10202 1 15 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.856 -2.421 25125
10203 1 15 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.128 0.272 25125
10204 1 15 . 1 1 106 106 PHE H H 106 7.457 7.457 7.522 -0.065 25125
10205 1 15 . 1 1 107 107 ASP N N 107 122.214 122.214 122.476 -0.262 25125
10206 1 15 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.125 -0.293 25125
10207 1 15 . 1 1 107 107 ASP C C 107 177.778 177.778 177.076 0.702 25125
10208 1 15 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.689 -0.447 25125
10209 1 15 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.550 1.047 25125
10210 1 15 . 1 1 107 107 ASP H H 107 9.022 9.022 8.727 0.295 25125
10211 1 15 . 1 1 108 108 ILE N N 108 127.706 127.706 125.092 2.614 25125
10212 1 15 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.731 0.234 25125
10213 1 15 . 1 1 108 108 ILE C C 108 176.046 176.046 177.091 -1.045 25125
10214 1 15 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.014 -2.025 25125
10215 1 15 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.128 -0.374 25125
10216 1 15 . 1 1 108 108 ILE H H 108 8.860 8.860 8.935 -0.075 25125
10217 1 15 . 1 1 109 109 ASP N N 109 120.058 120.058 118.982 1.076 25125
10218 1 15 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.350 0.038 25125
10219 1 15 . 1 1 109 109 ASP C C 109 179.786 179.786 179.052 0.734 25125
10220 1 15 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.815 -0.321 25125
10221 1 15 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.066 -0.012 25125
10222 1 15 . 1 1 109 109 ASP H H 109 8.079 8.079 8.605 -0.526 25125
10223 1 15 . 1 1 110 110 GLU N N 110 121.559 121.559 119.686 1.873 25125
10224 1 15 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.179 -0.111 25125
10225 1 15 . 1 1 110 110 GLU C C 110 179.043 179.043 178.490 0.553 25125
10226 1 15 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.503 0.323 25125
10227 1 15 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.969 -0.626 25125
10228 1 15 . 1 1 110 110 GLU H H 110 8.012 8.012 8.020 -0.008 25125
10229 1 15 . 1 1 111 111 ALA N N 111 122.267 122.267 123.510 -1.243 25125
10230 1 15 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.921 -0.167 25125
10231 1 15 . 1 1 111 111 ALA C C 111 178.493 178.493 179.494 -1.001 25125
10232 1 15 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.129 0.043 25125
10233 1 15 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.084 0.298 25125
10234 1 15 . 1 1 111 111 ALA H H 111 7.897 7.897 7.970 -0.073 25125
10235 1 15 . 1 1 112 112 VAL N N 112 116.527 116.527 117.944 -1.417 25125
10236 1 15 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.513 -0.346 25125
10237 1 15 . 1 1 112 112 VAL C C 112 177.201 177.201 177.765 -0.564 25125
10238 1 15 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.520 0.625 25125
10239 1 15 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.611 -0.059 25125
10240 1 15 . 1 1 112 112 VAL H H 112 8.018 8.018 8.337 -0.319 25125
10241 1 15 . 1 1 113 113 ALA N N 113 119.895 119.895 121.219 -1.324 25125
10242 1 15 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.220 -0.082 25125
10243 1 15 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.432 0.400 25125
10244 1 15 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.566 -0.694 25125
10245 1 15 . 1 1 113 113 ALA H H 113 7.673 7.673 7.315 0.358 25125
10246 1 15 . 1 1 114 114 LEU N N 114 120.650 120.650 120.894 -0.244 25125
10247 1 15 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.111 -0.028 25125
10248 1 15 . 1 1 114 114 LEU C C 114 178.466 178.466 178.339 0.127 25125
10249 1 15 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.665 0.355 25125
10250 1 15 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.050 -0.217 25125
10251 1 15 . 1 1 114 114 LEU H H 114 7.840 7.840 7.704 0.136 25125
10252 1 15 . 1 1 115 115 VAL N N 115 119.480 119.480 118.405 1.075 25125
10253 1 15 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.444 -0.232 25125
10254 1 15 . 1 1 115 115 VAL C C 115 177.448 177.448 177.128 0.320 25125
10255 1 15 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.081 1.120 25125
10256 1 15 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.534 -0.862 25125
10257 1 15 . 1 1 115 115 VAL H H 115 7.824 7.824 8.128 -0.304 25125
10258 1 15 . 1 1 116 116 GLU N N 116 117.473 117.473 118.462 -0.989 25125
10259 1 15 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.908 -0.119 25125
10260 1 15 . 1 1 116 116 GLU C C 116 179.566 179.566 178.604 0.962 25125
10261 1 15 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.969 -0.039 25125
10262 1 15 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.164 -0.068 25125
10263 1 15 . 1 1 116 116 GLU H H 116 8.465 8.465 7.787 0.678 25125
10264 1 15 . 1 1 117 117 ARG N N 117 120.128 120.128 119.313 0.815 25125
10265 1 15 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.072 -0.008 25125
10266 1 15 . 1 1 117 117 ARG C C 117 178.438 178.438 178.085 0.353 25125
10267 1 15 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.972 0.306 25125
10268 1 15 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.972 0.305 25125
10269 1 15 . 1 1 117 117 ARG H H 117 8.012 8.012 7.538 0.474 25125
10270 1 15 . 1 1 118 118 ALA N N 118 122.270 122.270 120.959 1.311 25125
10271 1 15 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.876 -0.420 25125
10272 1 15 . 1 1 118 118 ALA C C 118 178.741 178.741 178.710 0.031 25125
10273 1 15 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.045 0.532 25125
10274 1 15 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.511 -0.353 25125
10275 1 15 . 1 1 118 118 ALA H H 118 7.958 7.958 7.336 0.622 25125
10276 1 15 . 1 1 119 119 ILE N N 119 115.269 115.269 118.580 -3.311 25125
10277 1 15 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.818 -0.090 25125
10278 1 15 . 1 1 119 119 ILE C C 119 177.366 177.366 178.349 -0.983 25125
10279 1 15 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.880 -1.211 25125
10280 1 15 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.291 -0.493 25125
10281 1 15 . 1 1 119 119 ILE H H 119 7.753 7.753 7.725 0.028 25125
10282 1 15 . 1 1 120 120 SER N N 120 115.135 115.135 114.916 0.219 25125
10283 1 15 . 1 1 120 120 SER HA H 120 4.275 4.275 4.066 0.209 25125
10284 1 15 . 1 1 120 120 SER C C 120 175.084 175.084 175.279 -0.195 25125
10285 1 15 . 1 1 120 120 SER CA C 120 59.816 59.816 61.332 -1.516 25125
10286 1 15 . 1 1 120 120 SER CB C 120 63.380 63.380 62.961 0.419 25125
10287 1 15 . 1 1 120 120 SER H H 120 7.816 7.816 8.419 -0.603 25125
10288 1 15 . 1 1 121 121 HIS N N 121 119.908 119.908 120.461 -0.553 25125
10289 1 15 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.199 0.223 25125
10290 1 15 . 1 1 121 121 HIS C C 121 175.029 175.029 177.420 -2.391 25125
10291 1 15 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.255 -2.019 25125
10292 1 15 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.777 -0.349 25125
10293 1 15 . 1 1 121 121 HIS H H 121 7.910 7.910 7.618 0.292 25125
10294 1 15 . 1 1 122 122 TYR N N 122 118.880 118.880 118.789 0.091 25125
10295 1 15 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.332 0.094 25125
10296 1 15 . 1 1 122 122 TYR C C 122 175.276 175.276 178.139 -2.863 25125
10297 1 15 . 1 1 122 122 TYR CA C 122 58.449 58.449 61.459 -3.010 25125
10298 1 15 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.471 0.133 25125
10299 1 15 . 1 1 122 122 TYR H H 122 7.766 7.766 8.049 -0.283 25125
10300 1 15 . 1 1 123 123 GLN N N 123 121.479 121.479 116.869 4.610 25125
10301 1 15 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.391 -0.121 25125
10302 1 15 . 1 1 123 123 GLN C C 123 174.534 174.534 175.806 -1.272 25125
10303 1 15 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.028 0.484 25125
10304 1 15 . 1 1 123 123 GLN CB C 123 29.768 29.768 27.002 2.766 25125
10305 1 15 . 1 1 123 123 GLN H H 123 7.878 7.878 8.357 -0.479 25125
10306 1 16 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.862 -0.429 25125
10307 1 16 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.780 -0.216 25125
10308 1 16 . 1 1 2 2 GLN CB C 2 29.600 29.600 30.504 -0.904 25125
10309 1 16 . 1 1 3 3 ARG N N 3 121.252 121.252 122.823 -1.571 25125
10310 1 16 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.382 -0.017 25125
10311 1 16 . 1 1 3 3 ARG C C 3 175.634 175.634 175.121 0.513 25125
10312 1 16 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.265 -0.274 25125
10313 1 16 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.682 0.615 25125
10314 1 16 . 1 1 3 3 ARG H H 3 8.429 8.429 8.786 -0.357 25125
10315 1 16 . 1 1 4 4 GLY N N 4 107.663 107.663 110.136 -2.473 25125
10316 1 16 . 1 1 4 4 GLY C C 4 171.041 171.041 173.738 -2.697 25125
10317 1 16 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.486 0.830 25125
10318 1 16 . 1 1 4 4 GLY H H 4 7.963 7.963 8.011 -0.048 25125
10319 1 16 . 1 1 5 5 ILE N N 5 122.603 122.603 125.013 -2.410 25125
10320 1 16 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.037 0.662 25125
10321 1 16 . 1 1 5 5 ILE C C 5 175.359 175.359 175.000 0.359 25125
10322 1 16 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.727 -1.117 25125
10323 1 16 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.194 0.382 25125
10324 1 16 . 1 1 5 5 ILE H H 5 9.610 9.610 8.328 1.282 25125
10325 1 16 . 1 1 6 6 VAL N N 6 127.905 127.905 124.912 2.993 25125
10326 1 16 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.012 -0.200 25125
10327 1 16 . 1 1 6 6 VAL C C 6 174.204 174.204 175.435 -1.231 25125
10328 1 16 . 1 1 6 6 VAL CA C 6 59.559 59.559 59.608 -0.049 25125
10329 1 16 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.026 1.500 25125
10330 1 16 . 1 1 6 6 VAL H H 6 9.090 9.090 7.894 1.196 25125
10331 1 16 . 1 1 7 7 TRP N N 7 127.467 127.467 127.890 -0.423 25125
10332 1 16 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.094 1.360 25125
10333 1 16 . 1 1 7 7 TRP C C 7 175.056 175.056 175.165 -0.109 25125
10334 1 16 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.746 -1.868 25125
10335 1 16 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.383 1.751 25125
10336 1 16 . 1 1 7 7 TRP H H 7 8.497 8.497 8.098 0.399 25125
10337 1 16 . 1 1 8 8 VAL N N 8 122.068 122.068 119.466 2.602 25125
10338 1 16 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.374 0.712 25125
10339 1 16 . 1 1 8 8 VAL C C 8 173.874 173.874 173.987 -0.113 25125
10340 1 16 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.417 -0.931 25125
10341 1 16 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.268 1.447 25125
10342 1 16 . 1 1 8 8 VAL H H 8 8.583 8.583 8.975 -0.392 25125
10343 1 16 . 1 1 9 9 VAL N N 9 127.733 127.733 122.884 4.849 25125
10344 1 16 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.308 0.653 25125
10345 1 16 . 1 1 9 9 VAL C C 9 173.131 173.131 173.142 -0.011 25125
10346 1 16 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.893 -2.218 25125
10347 1 16 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.892 -1.981 25125
10348 1 16 . 1 1 9 9 VAL H H 9 9.107 9.107 8.542 0.565 25125
10349 1 16 . 1 1 10 10 ASP N N 10 124.306 124.306 126.023 -1.717 25125
10350 1 16 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.040 -0.471 25125
10351 1 16 . 1 1 10 10 ASP C C 10 175.029 175.029 175.308 -0.279 25125
10352 1 16 . 1 1 10 10 ASP CA C 10 54.747 54.747 55.384 -0.637 25125
10353 1 16 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.056 2.053 25125
10354 1 16 . 1 1 10 10 ASP H H 10 7.775 7.775 8.282 -0.507 25125
10355 1 16 . 1 1 11 11 ASP N N 11 126.714 126.714 115.710 11.004 25125
10356 1 16 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.805 -0.270 25125
10357 1 16 . 1 1 11 11 ASP C C 11 175.689 175.689 174.806 0.883 25125
10358 1 16 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.697 1.020 25125
10359 1 16 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.990 -0.916 25125
10360 1 16 . 1 1 11 11 ASP H H 11 9.033 9.033 8.262 0.771 25125
10361 1 16 . 1 1 12 12 ASP N N 12 121.877 121.877 120.382 1.495 25125
10362 1 16 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.942 -0.296 25125
10363 1 16 . 1 1 12 12 ASP C C 12 177.036 177.036 177.295 -0.259 25125
10364 1 16 . 1 1 12 12 ASP CA C 12 53.303 53.303 54.014 -0.711 25125
10365 1 16 . 1 1 12 12 ASP CB C 12 41.164 41.164 42.428 -1.264 25125
10366 1 16 . 1 1 12 12 ASP H H 12 9.570 9.570 8.203 1.367 25125
10367 1 16 . 1 1 13 13 SER N N 13 123.799 123.799 118.091 5.708 25125
10368 1 16 . 1 1 13 13 SER HA H 13 3.761 3.761 4.369 -0.608 25125
10369 1 16 . 1 1 13 13 SER C C 13 176.156 176.156 176.074 0.082 25125
10370 1 16 . 1 1 13 13 SER CA C 13 61.186 61.186 61.934 -0.748 25125
10371 1 16 . 1 1 13 13 SER CB C 13 62.749 62.749 63.244 -0.495 25125
10372 1 16 . 1 1 13 13 SER H H 13 8.850 8.850 8.716 0.134 25125
10373 1 16 . 1 1 14 14 SER N N 14 119.123 119.123 116.728 2.395 25125
10374 1 16 . 1 1 14 14 SER HA H 14 4.361 4.361 4.404 -0.043 25125
10375 1 16 . 1 1 14 14 SER C C 14 176.404 176.404 176.830 -0.426 25125
10376 1 16 . 1 1 14 14 SER CA C 14 61.730 61.730 61.199 0.531 25125
10377 1 16 . 1 1 14 14 SER CB C 14 62.548 62.548 62.689 -0.141 25125
10378 1 16 . 1 1 14 14 SER H H 14 8.531 8.531 8.499 0.032 25125
10379 1 16 . 1 1 15 15 ILE N N 15 123.637 123.637 122.679 0.958 25125
10380 1 16 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.998 -0.053 25125
10381 1 16 . 1 1 15 15 ILE C C 15 177.861 177.861 177.969 -0.108 25125
10382 1 16 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.828 -1.628 25125
10383 1 16 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.191 -1.305 25125
10384 1 16 . 1 1 15 15 ILE H H 15 7.206 7.206 7.797 -0.591 25125
10385 1 16 . 1 1 16 16 ARG N N 16 116.694 116.694 119.235 -2.541 25125
10386 1 16 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.038 -0.315 25125
10387 1 16 . 1 1 16 16 ARG C C 16 177.448 177.448 178.661 -1.213 25125
10388 1 16 . 1 1 16 16 ARG CA C 16 61.573 61.573 59.629 1.944 25125
10389 1 16 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.220 0.227 25125
10390 1 16 . 1 1 16 16 ARG H H 16 7.562 7.562 7.737 -0.175 25125
10391 1 16 . 1 1 17 17 TRP N N 17 116.848 116.848 122.166 -5.318 25125
10392 1 16 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.290 0.180 25125
10393 1 16 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.933 -1.493 25125
10394 1 16 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.043 0.249 25125
10395 1 16 . 1 1 17 17 TRP H H 17 8.005 8.005 8.865 -0.860 25125
10396 1 16 . 1 1 18 18 VAL N N 18 116.964 116.964 118.896 -1.932 25125
10397 1 16 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.563 1.112 25125
10398 1 16 . 1 1 18 18 VAL C C 18 179.181 179.181 177.547 1.634 25125
10399 1 16 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.784 -0.076 25125
10400 1 16 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.572 0.065 25125
10401 1 16 . 1 1 18 18 VAL H H 18 8.110 8.110 7.621 0.489 25125
10402 1 16 . 1 1 19 19 LEU N N 19 120.186 120.186 117.424 2.762 25125
10403 1 16 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.104 -0.029 25125
10404 1 16 . 1 1 19 19 LEU C C 19 177.778 177.778 178.715 -0.937 25125
10405 1 16 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.344 0.477 25125
10406 1 16 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.525 0.256 25125
10407 1 16 . 1 1 19 19 LEU H H 19 8.073 8.073 7.553 0.520 25125
10408 1 16 . 1 1 20 20 GLU N N 20 120.193 120.193 120.037 0.156 25125
10409 1 16 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.200 -0.259 25125
10410 1 16 . 1 1 20 20 GLU C C 20 178.603 178.603 178.828 -0.225 25125
10411 1 16 . 1 1 20 20 GLU CA C 20 60.610 60.610 58.913 1.698 25125
10412 1 16 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.819 -0.731 25125
10413 1 16 . 1 1 20 20 GLU H H 20 8.387 8.387 8.074 0.313 25125
10414 1 16 . 1 1 21 21 ARG N N 21 116.076 116.076 119.057 -2.981 25125
10415 1 16 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.963 -0.070 25125
10416 1 16 . 1 1 21 21 ARG C C 21 179.676 179.676 178.481 1.195 25125
10417 1 16 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.525 -0.076 25125
10418 1 16 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.267 0.586 25125
10419 1 16 . 1 1 21 21 ARG H H 21 7.602 7.602 8.094 -0.492 25125
10420 1 16 . 1 1 22 22 ALA N N 22 122.405 122.405 122.297 0.108 25125
10421 1 16 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.053 0.044 25125
10422 1 16 . 1 1 22 22 ALA C C 22 180.501 180.501 179.636 0.865 25125
10423 1 16 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.581 -0.003 25125
10424 1 16 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.129 1.103 25125
10425 1 16 . 1 1 22 22 ALA H H 22 7.992 7.992 7.887 0.105 25125
10426 1 16 . 1 1 23 23 LEU N N 23 118.026 118.026 118.063 -0.037 25125
10427 1 16 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.210 -0.209 25125
10428 1 16 . 1 1 23 23 LEU C C 23 178.878 178.878 179.199 -0.321 25125
10429 1 16 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.983 1.738 25125
10430 1 16 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.853 -2.198 25125
10431 1 16 . 1 1 23 23 LEU H H 23 8.825 8.825 7.613 1.212 25125
10432 1 16 . 1 1 24 24 ALA N N 24 122.159 122.159 122.337 -0.178 25125
10433 1 16 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.069 0.564 25125
10434 1 16 . 1 1 24 24 ALA C C 24 183.141 183.141 178.698 4.443 25125
10435 1 16 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.454 0.293 25125
10436 1 16 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.402 -0.700 25125
10437 1 16 . 1 1 24 24 ALA H H 24 8.125 8.125 7.799 0.326 25125
10438 1 16 . 1 1 25 25 GLY N N 25 106.891 106.891 105.470 1.421 25125
10439 1 16 . 1 1 25 25 GLY C C 25 174.286 174.286 174.236 0.050 25125
10440 1 16 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.051 1.370 25125
10441 1 16 . 1 1 25 25 GLY H H 25 7.870 7.870 7.844 0.026 25125
10442 1 16 . 1 1 26 26 ALA N N 26 121.819 121.819 123.146 -1.327 25125
10443 1 16 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.585 -0.086 25125
10444 1 16 . 1 1 26 26 ALA C C 26 176.953 176.953 177.851 -0.898 25125
10445 1 16 . 1 1 26 26 ALA CA C 26 51.519 51.519 50.739 0.780 25125
10446 1 16 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.118 -1.396 25125
10447 1 16 . 1 1 26 26 ALA H H 26 7.285 7.285 7.386 -0.101 25125
10448 1 16 . 1 1 27 27 GLY N N 27 106.197 106.197 107.717 -1.520 25125
10449 1 16 . 1 1 27 27 GLY C C 27 173.956 173.956 172.742 1.214 25125
10450 1 16 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.805 0.511 25125
10451 1 16 . 1 1 27 27 GLY H H 27 7.824 7.824 8.679 -0.855 25125
10452 1 16 . 1 1 28 28 LEU N N 28 120.291 120.291 119.730 0.561 25125
10453 1 16 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.752 -0.177 25125
10454 1 16 . 1 1 28 28 LEU C C 28 175.881 175.881 176.238 -0.357 25125
10455 1 16 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.199 0.444 25125
10456 1 16 . 1 1 28 28 LEU CB C 28 42.485 42.485 45.224 -2.739 25125
10457 1 16 . 1 1 28 28 LEU H H 28 7.678 7.678 7.238 0.440 25125
10458 1 16 . 1 1 29 29 THR N N 29 118.040 118.040 116.853 1.187 25125
10459 1 16 . 1 1 29 29 THR HA H 29 4.335 4.335 4.352 -0.017 25125
10460 1 16 . 1 1 29 29 THR C C 29 173.186 173.186 173.665 -0.479 25125
10461 1 16 . 1 1 29 29 THR CA C 29 62.479 62.479 63.167 -0.688 25125
10462 1 16 . 1 1 29 29 THR CB C 29 69.465 69.465 69.615 -0.150 25125
10463 1 16 . 1 1 29 29 THR H H 29 8.527 8.527 8.426 0.101 25125
10464 1 16 . 1 1 30 30 CYS N N 30 128.387 128.387 121.954 6.433 25125
10465 1 16 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.460 0.483 25125
10466 1 16 . 1 1 30 30 CYS C C 30 173.846 173.846 174.242 -0.396 25125
10467 1 16 . 1 1 30 30 CYS CA C 30 56.362 56.362 58.199 -1.837 25125
10468 1 16 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.535 -1.055 25125
10469 1 16 . 1 1 30 30 CYS H H 30 8.968 8.968 8.658 0.310 25125
10470 1 16 . 1 1 31 31 THR N N 31 126.481 126.481 123.915 2.566 25125
10471 1 16 . 1 1 31 31 THR HA H 31 4.433 4.433 4.446 -0.012 25125
10472 1 16 . 1 1 31 31 THR C C 31 172.609 172.609 173.080 -0.471 25125
10473 1 16 . 1 1 31 31 THR CA C 31 61.951 61.951 61.386 0.564 25125
10474 1 16 . 1 1 31 31 THR CB C 31 70.567 70.567 69.722 0.845 25125
10475 1 16 . 1 1 31 31 THR H H 31 8.614 8.614 8.451 0.163 25125
10476 1 16 . 1 1 32 32 THR N N 32 116.418 116.418 118.549 -2.131 25125
10477 1 16 . 1 1 32 32 THR HA H 32 5.330 5.330 5.224 0.106 25125
10478 1 16 . 1 1 32 32 THR C C 32 172.306 172.306 173.471 -1.165 25125
10479 1 16 . 1 1 32 32 THR CA C 32 59.173 59.173 60.149 -0.976 25125
10480 1 16 . 1 1 32 32 THR CB C 32 70.917 70.917 70.013 0.904 25125
10481 1 16 . 1 1 32 32 THR H H 32 8.299 8.299 8.382 -0.083 25125
10482 1 16 . 1 1 33 33 PHE N N 33 118.067 118.067 126.779 -8.712 25125
10483 1 16 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.479 0.164 25125
10484 1 16 . 1 1 33 33 PHE C C 33 174.341 174.341 175.713 -1.372 25125
10485 1 16 . 1 1 33 33 PHE CA C 33 56.532 56.532 58.727 -2.195 25125
10486 1 16 . 1 1 33 33 PHE CB C 33 43.309 43.309 39.834 3.475 25125
10487 1 16 . 1 1 33 33 PHE H H 33 8.890 8.890 8.219 0.671 25125
10488 1 16 . 1 1 34 34 GLU N N 34 118.499 118.499 110.269 8.230 25125
10489 1 16 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.285 0.069 25125
10490 1 16 . 1 1 34 34 GLU C C 34 175.414 175.414 174.580 0.834 25125
10491 1 16 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.851 -0.159 25125
10492 1 16 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.325 1.142 25125
10493 1 16 . 1 1 34 34 GLU H H 34 9.023 9.023 8.492 0.531 25125
10494 1 16 . 1 1 35 35 ASN N N 35 109.907 109.907 116.907 -7.000 25125
10495 1 16 . 1 1 35 35 ASN HA H 35 4.781 4.781 5.029 -0.248 25125
10496 1 16 . 1 1 35 35 ASN C C 35 175.139 175.139 176.657 -1.518 25125
10497 1 16 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.152 -0.006 25125
10498 1 16 . 1 1 35 35 ASN CB C 35 41.323 41.323 41.469 -0.146 25125
10499 1 16 . 1 1 35 35 ASN H H 35 7.401 7.401 7.858 -0.457 25125
10500 1 16 . 1 1 36 36 GLY N N 36 106.739 106.739 109.640 -2.901 25125
10501 1 16 . 1 1 36 36 GLY C C 36 174.616 174.616 175.148 -0.532 25125
10502 1 16 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.979 0.037 25125
10503 1 16 . 1 1 36 36 GLY H H 36 8.877 8.877 8.998 -0.121 25125
10504 1 16 . 1 1 37 37 ASN N N 37 120.462 120.462 118.848 1.614 25125
10505 1 16 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.496 -0.134 25125
10506 1 16 . 1 1 37 37 ASN C C 37 178.686 178.686 177.030 1.656 25125
10507 1 16 . 1 1 37 37 ASN CA C 37 56.532 56.532 56.005 0.527 25125
10508 1 16 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.586 -1.002 25125
10509 1 16 . 1 1 37 37 ASN H H 37 8.366 8.366 7.934 0.432 25125
10510 1 16 . 1 1 38 38 GLU N N 38 119.360 119.360 117.658 1.702 25125
10511 1 16 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.230 -0.160 25125
10512 1 16 . 1 1 38 38 GLU C C 38 179.263 179.263 177.311 1.952 25125
10513 1 16 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.089 1.543 25125
10514 1 16 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.448 1.084 25125
10515 1 16 . 1 1 38 38 GLU H H 38 7.990 7.990 7.603 0.387 25125
10516 1 16 . 1 1 39 39 VAL N N 39 119.259 119.259 119.156 0.103 25125
10517 1 16 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.232 -0.464 25125
10518 1 16 . 1 1 39 39 VAL C C 39 176.431 176.431 177.434 -1.003 25125
10519 1 16 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.177 -0.233 25125
10520 1 16 . 1 1 39 39 VAL CB C 39 31.075 31.075 32.136 -1.061 25125
10521 1 16 . 1 1 39 39 VAL H H 39 6.883 6.883 7.678 -0.795 25125
10522 1 16 . 1 1 40 40 LEU N N 40 119.627 119.627 121.521 -1.894 25125
10523 1 16 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.999 -0.072 25125
10524 1 16 . 1 1 40 40 LEU C C 40 179.538 179.538 178.063 1.475 25125
10525 1 16 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.136 -0.196 25125
10526 1 16 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.413 -0.345 25125
10527 1 16 . 1 1 40 40 LEU H H 40 7.692 7.692 7.910 -0.218 25125
10528 1 16 . 1 1 41 41 ALA N N 41 120.051 120.051 119.897 0.154 25125
10529 1 16 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.163 -0.023 25125
10530 1 16 . 1 1 41 41 ALA C C 41 180.528 180.528 178.427 2.101 25125
10531 1 16 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.238 0.412 25125
10532 1 16 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.065 -0.199 25125
10533 1 16 . 1 1 41 41 ALA H H 41 7.553 7.553 7.756 -0.203 25125
10534 1 16 . 1 1 42 42 ALA N N 42 122.731 122.731 121.125 1.606 25125
10535 1 16 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.183 0.016 25125
10536 1 16 . 1 1 42 42 ALA C C 42 180.198 180.198 180.268 -0.070 25125
10537 1 16 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.365 0.667 25125
10538 1 16 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.366 1.033 25125
10539 1 16 . 1 1 42 42 ALA H H 42 7.604 7.604 7.102 0.502 25125
10540 1 16 . 1 1 43 43 LEU N N 43 119.131 119.131 119.315 -0.184 25125
10541 1 16 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.968 1.238 25125
10542 1 16 . 1 1 43 43 LEU C C 43 177.421 177.421 179.095 -1.674 25125
10543 1 16 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.460 -1.915 25125
10544 1 16 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.188 1.416 25125
10545 1 16 . 1 1 43 43 LEU H H 43 8.288 8.288 8.276 0.012 25125
10546 1 16 . 1 1 44 44 ALA N N 44 119.065 119.065 117.761 1.304 25125
10547 1 16 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.159 0.070 25125
10548 1 16 . 1 1 44 44 ALA C C 44 178.686 178.686 178.407 0.279 25125
10549 1 16 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.801 0.437 25125
10550 1 16 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.292 0.224 25125
10551 1 16 . 1 1 44 44 ALA H H 44 7.302 7.302 7.902 -0.600 25125
10552 1 16 . 1 1 45 45 SER N N 45 108.656 108.656 114.935 -6.279 25125
10553 1 16 . 1 1 45 45 SER HA H 45 4.742 4.742 4.400 0.342 25125
10554 1 16 . 1 1 45 45 SER C C 45 173.296 173.296 175.925 -2.629 25125
10555 1 16 . 1 1 45 45 SER CA C 45 58.656 58.656 60.971 -2.315 25125
10556 1 16 . 1 1 45 45 SER CB C 45 65.407 65.407 63.896 1.511 25125
10557 1 16 . 1 1 45 45 SER H H 45 7.728 7.728 8.066 -0.338 25125
10558 1 16 . 1 1 46 46 LYS N N 46 123.016 123.016 116.480 6.536 25125
10559 1 16 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.634 -0.048 25125
10560 1 16 . 1 1 46 46 LYS C C 46 172.719 172.719 175.720 -3.001 25125
10561 1 16 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.233 -0.721 25125
10562 1 16 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.089 2.136 25125
10563 1 16 . 1 1 46 46 LYS H H 46 8.101 8.101 8.092 0.009 25125
10564 1 16 . 1 1 47 47 THR N N 47 111.780 111.780 113.882 -2.102 25125
10565 1 16 . 1 1 47 47 THR HA H 47 4.282 4.282 3.861 0.421 25125
10566 1 16 . 1 1 47 47 THR CA C 47 57.806 57.806 62.351 -4.545 25125
10567 1 16 . 1 1 47 47 THR CB C 47 70.594 70.594 67.868 2.725 25125
10568 1 16 . 1 1 47 47 THR H H 47 7.677 7.677 7.867 -0.190 25125
10569 1 16 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.916 -0.011 25125
10570 1 16 . 1 1 48 48 PRO C C 48 172.966 172.966 175.422 -2.456 25125
10571 1 16 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.359 -1.494 25125
10572 1 16 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.568 -1.291 25125
10573 1 16 . 1 1 49 49 ASP N N 49 115.035 115.035 118.554 -3.519 25125
10574 1 16 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.584 -0.140 25125
10575 1 16 . 1 1 49 49 ASP C C 49 175.634 175.634 175.496 0.138 25125
10576 1 16 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.573 0.874 25125
10577 1 16 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.227 0.285 25125
10578 1 16 . 1 1 49 49 ASP H H 49 8.502 8.502 8.090 0.412 25125
10579 1 16 . 1 1 50 50 VAL N N 50 112.082 112.082 114.759 -2.677 25125
10580 1 16 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.614 -0.334 25125
10581 1 16 . 1 1 50 50 VAL C C 50 171.454 171.454 172.895 -1.441 25125
10582 1 16 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.690 -1.128 25125
10583 1 16 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.854 -0.218 25125
10584 1 16 . 1 1 50 50 VAL H H 50 7.173 7.173 7.022 0.151 25125
10585 1 16 . 1 1 51 51 LEU N N 51 128.247 128.247 124.678 3.569 25125
10586 1 16 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.202 0.117 25125
10587 1 16 . 1 1 51 51 LEU C C 51 173.104 173.104 175.072 -1.968 25125
10588 1 16 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.119 0.099 25125
10589 1 16 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.866 -0.360 25125
10590 1 16 . 1 1 51 51 LEU H H 51 8.059 8.059 7.951 0.108 25125
10591 1 16 . 1 1 52 52 LEU N N 52 128.407 128.407 120.274 8.133 25125
10592 1 16 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.926 0.575 25125
10593 1 16 . 1 1 52 52 LEU C C 52 175.414 175.414 176.239 -0.825 25125
10594 1 16 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.208 0.115 25125
10595 1 16 . 1 1 52 52 LEU CB C 52 44.521 44.521 41.558 2.963 25125
10596 1 16 . 1 1 52 52 LEU H H 52 9.242 9.242 7.981 1.261 25125
10597 1 16 . 1 1 53 53 SER N N 53 114.946 114.946 118.435 -3.489 25125
10598 1 16 . 1 1 53 53 SER HA H 53 5.595 5.595 4.221 1.374 25125
10599 1 16 . 1 1 53 53 SER C C 53 174.644 174.644 173.627 1.017 25125
10600 1 16 . 1 1 53 53 SER CA C 53 55.954 55.954 59.696 -3.742 25125
10601 1 16 . 1 1 53 53 SER CB C 53 66.473 66.473 64.046 2.427 25125
10602 1 16 . 1 1 53 53 SER H H 53 8.695 8.695 7.978 0.717 25125
10603 1 16 . 1 1 54 54 ASP N N 54 128.341 128.341 127.509 0.832 25125
10604 1 16 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.118 0.207 25125
10605 1 16 . 1 1 54 54 ASP C C 54 176.816 176.816 175.903 0.913 25125
10606 1 16 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.798 1.695 25125
10607 1 16 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.268 -0.940 25125
10608 1 16 . 1 1 54 54 ASP H H 54 7.886 7.886 7.994 -0.108 25125
10609 1 16 . 1 1 55 55 ILE N N 55 121.229 121.229 126.299 -5.070 25125
10610 1 16 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.074 0.111 25125
10611 1 16 . 1 1 55 55 ILE C C 55 175.084 175.084 174.883 0.201 25125
10612 1 16 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.971 -0.429 25125
10613 1 16 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.615 2.414 25125
10614 1 16 . 1 1 55 55 ILE H H 55 8.722 8.722 8.930 -0.208 25125
10615 1 16 . 1 1 56 56 ARG N N 56 124.188 124.188 125.262 -1.074 25125
10616 1 16 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.530 -0.025 25125
10617 1 16 . 1 1 56 56 ARG C C 56 175.661 175.661 176.216 -0.555 25125
10618 1 16 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.114 -0.673 25125
10619 1 16 . 1 1 56 56 ARG CB C 56 30.362 30.362 32.948 -2.586 25125
10620 1 16 . 1 1 56 56 ARG H H 56 8.499 8.499 8.061 0.438 25125
10621 1 16 . 1 1 57 57 MET N N 57 122.581 122.581 120.093 2.488 25125
10622 1 16 . 1 1 57 57 MET HA H 57 4.821 4.821 4.438 0.383 25125
10623 1 16 . 1 1 57 57 MET CA C 57 53.132 53.132 55.616 -2.484 25125
10624 1 16 . 1 1 57 57 MET CB C 57 33.445 33.445 32.201 1.244 25125
10625 1 16 . 1 1 57 57 MET H H 57 7.956 7.956 8.093 -0.137 25125
10626 1 16 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.402 -0.009 25125
10627 1 16 . 1 1 58 58 PRO C C 58 177.806 177.806 178.361 -0.555 25125
10628 1 16 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.192 -0.692 25125
10629 1 16 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.066 -0.259 25125
10630 1 16 . 1 1 59 59 GLY N N 59 111.082 111.082 107.876 3.206 25125
10631 1 16 . 1 1 59 59 GLY C C 59 173.626 173.626 174.516 -0.890 25125
10632 1 16 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.039 0.551 25125
10633 1 16 . 1 1 59 59 GLY H H 59 8.653 8.653 8.448 0.204 25125
10634 1 16 . 1 1 60 60 MET N N 60 120.052 120.052 119.591 0.461 25125
10635 1 16 . 1 1 60 60 MET HA H 60 4.525 4.525 4.400 0.125 25125
10636 1 16 . 1 1 60 60 MET C C 60 173.956 173.956 175.981 -2.025 25125
10637 1 16 . 1 1 60 60 MET CA C 60 55.047 55.047 56.047 -1.000 25125
10638 1 16 . 1 1 60 60 MET CB C 60 34.506 34.506 33.782 0.724 25125
10639 1 16 . 1 1 60 60 MET H H 60 7.968 7.968 8.063 -0.095 25125
10640 1 16 . 1 1 61 61 ASP N N 61 121.306 121.306 121.868 -0.562 25125
10641 1 16 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.633 0.071 25125
10642 1 16 . 1 1 61 61 ASP C C 61 176.761 176.761 176.664 0.097 25125
10643 1 16 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.884 -1.155 25125
10644 1 16 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.921 0.148 25125
10645 1 16 . 1 1 61 61 ASP H H 61 8.379 8.379 8.705 -0.326 25125
10646 1 16 . 1 1 62 62 GLY N N 62 110.874 110.874 108.084 2.790 25125
10647 1 16 . 1 1 62 62 GLY C C 62 175.194 175.194 175.670 -0.476 25125
10648 1 16 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.691 0.410 25125
10649 1 16 . 1 1 62 62 GLY H H 62 8.707 8.707 8.305 0.402 25125
10650 1 16 . 1 1 63 63 LEU N N 63 121.299 121.299 120.531 0.768 25125
10651 1 16 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.625 -0.448 25125
10652 1 16 . 1 1 63 63 LEU C C 63 178.356 178.356 178.075 0.281 25125
10653 1 16 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.557 1.321 25125
10654 1 16 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.480 0.758 25125
10655 1 16 . 1 1 63 63 LEU H H 63 8.045 8.045 7.770 0.275 25125
10656 1 16 . 1 1 64 64 ALA N N 64 122.741 122.741 122.404 0.337 25125
10657 1 16 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.118 -0.056 25125
10658 1 16 . 1 1 64 64 ALA C C 64 180.556 180.556 179.218 1.338 25125
10659 1 16 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.046 -0.431 25125
10660 1 16 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.698 0.302 25125
10661 1 16 . 1 1 64 64 ALA H H 64 7.859 7.859 8.279 -0.420 25125
10662 1 16 . 1 1 65 65 LEU N N 65 120.287 120.287 115.068 5.219 25125
10663 1 16 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.400 -0.338 25125
10664 1 16 . 1 1 65 65 LEU C C 65 178.191 178.191 178.388 -0.197 25125
10665 1 16 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.724 1.296 25125
10666 1 16 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.205 -0.966 25125
10667 1 16 . 1 1 65 65 LEU H H 65 8.022 8.022 7.550 0.472 25125
10668 1 16 . 1 1 66 66 LEU N N 66 118.738 118.738 120.343 -1.605 25125
10669 1 16 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.179 -0.321 25125
10670 1 16 . 1 1 66 66 LEU C C 66 178.631 178.631 178.787 -0.156 25125
10671 1 16 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.718 1.628 25125
10672 1 16 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.950 0.288 25125
10673 1 16 . 1 1 66 66 LEU H H 66 8.101 8.101 7.824 0.277 25125
10674 1 16 . 1 1 67 67 LYS N N 67 117.842 117.842 117.300 0.542 25125
10675 1 16 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.097 -0.115 25125
10676 1 16 . 1 1 67 67 LYS C C 67 179.263 179.263 178.731 0.532 25125
10677 1 16 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.780 1.017 25125
10678 1 16 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.914 0.293 25125
10679 1 16 . 1 1 67 67 LYS H H 67 8.010 8.010 8.289 -0.279 25125
10680 1 16 . 1 1 68 68 GLN N N 68 118.875 118.875 117.158 1.717 25125
10681 1 16 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.317 -0.261 25125
10682 1 16 . 1 1 68 68 GLN C C 68 179.071 179.071 177.500 1.571 25125
10683 1 16 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.250 0.823 25125
10684 1 16 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.583 0.028 25125
10685 1 16 . 1 1 68 68 GLN H H 68 7.809 7.809 7.449 0.360 25125
10686 1 16 . 1 1 69 69 ILE N N 69 120.377 120.377 121.876 -1.499 25125
10687 1 16 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.994 -0.464 25125
10688 1 16 . 1 1 69 69 ILE C C 69 177.421 177.421 178.363 -0.942 25125
10689 1 16 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.778 1.100 25125
10690 1 16 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.669 -0.085 25125
10691 1 16 . 1 1 69 69 ILE H H 69 8.481 8.481 7.599 0.882 25125
10692 1 16 . 1 1 70 70 LYS N N 70 117.873 117.873 119.231 -1.358 25125
10693 1 16 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.130 -0.170 25125
10694 1 16 . 1 1 70 70 LYS C C 70 178.053 178.053 177.895 0.158 25125
10695 1 16 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.157 -2.070 25125
10696 1 16 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.281 -1.069 25125
10697 1 16 . 1 1 70 70 LYS H H 70 8.220 8.220 7.744 0.476 25125
10698 1 16 . 1 1 71 71 GLN N N 71 116.315 116.315 116.937 -0.622 25125
10699 1 16 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.191 -0.199 25125
10700 1 16 . 1 1 71 71 GLN C C 71 177.366 177.366 177.796 -0.430 25125
10701 1 16 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.978 0.212 25125
10702 1 16 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.960 -0.295 25125
10703 1 16 . 1 1 71 71 GLN H H 71 7.601 7.601 7.376 0.225 25125
10704 1 16 . 1 1 72 72 ARG N N 72 116.530 116.530 117.699 -1.169 25125
10705 1 16 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.034 -0.004 25125
10706 1 16 . 1 1 72 72 ARG C C 72 175.826 175.826 176.087 -0.261 25125
10707 1 16 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.477 -0.255 25125
10708 1 16 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.496 0.306 25125
10709 1 16 . 1 1 72 72 ARG H H 72 7.301 7.301 8.132 -0.831 25125
10710 1 16 . 1 1 73 73 HIS N N 73 116.755 116.755 116.362 0.393 25125
10711 1 16 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.882 0.078 25125
10712 1 16 . 1 1 73 73 HIS CA C 73 53.218 53.218 52.874 0.343 25125
10713 1 16 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.133 0.429 25125
10714 1 16 . 1 1 73 73 HIS H H 73 8.331 8.331 7.844 0.487 25125
10715 1 16 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.472 0.027 25125
10716 1 16 . 1 1 74 74 PRO C C 74 178.466 178.466 177.503 0.963 25125
10717 1 16 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.915 0.198 25125
10718 1 16 . 1 1 74 74 PRO CB C 74 32.095 32.095 31.929 0.166 25125
10719 1 16 . 1 1 75 75 MET N N 75 114.814 114.814 112.381 2.433 25125
10720 1 16 . 1 1 75 75 MET HA H 75 4.567 4.567 4.496 0.071 25125
10721 1 16 . 1 1 75 75 MET C C 75 176.046 176.046 175.633 0.413 25125
10722 1 16 . 1 1 75 75 MET CA C 75 54.266 54.266 55.845 -1.579 25125
10723 1 16 . 1 1 75 75 MET CB C 75 31.288 31.288 31.672 -0.384 25125
10724 1 16 . 1 1 75 75 MET H H 75 8.623 8.623 7.782 0.841 25125
10725 1 16 . 1 1 76 76 LEU N N 76 125.533 125.533 123.306 2.227 25125
10726 1 16 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.696 -0.391 25125
10727 1 16 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.613 1.499 25125
10728 1 16 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.344 0.341 25125
10729 1 16 . 1 1 76 76 LEU H H 76 7.337 7.337 7.140 0.197 25125
10730 1 16 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.557 -0.111 25125
10731 1 16 . 1 1 77 77 PRO C C 77 174.974 174.974 175.209 -0.235 25125
10732 1 16 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.425 0.402 25125
10733 1 16 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.293 -0.571 25125
10734 1 16 . 1 1 78 78 VAL N N 78 123.779 123.779 119.956 3.823 25125
10735 1 16 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.539 0.485 25125
10736 1 16 . 1 1 78 78 VAL C C 78 175.441 175.441 174.963 0.478 25125
10737 1 16 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.806 -0.613 25125
10738 1 16 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.327 -2.033 25125
10739 1 16 . 1 1 78 78 VAL H H 78 8.317 8.317 8.151 0.166 25125
10740 1 16 . 1 1 79 79 ILE N N 79 128.334 128.334 120.936 7.398 25125
10741 1 16 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.782 -0.301 25125
10742 1 16 . 1 1 79 79 ILE C C 79 174.479 174.479 174.937 -0.458 25125
10743 1 16 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.982 -0.460 25125
10744 1 16 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.424 -1.461 25125
10745 1 16 . 1 1 79 79 ILE H H 79 9.292 9.292 8.069 1.223 25125
10746 1 16 . 1 1 80 80 ILE N N 80 127.023 127.023 126.560 0.463 25125
10747 1 16 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.426 0.433 25125
10748 1 16 . 1 1 80 80 ILE C C 80 175.029 175.029 174.989 0.040 25125
10749 1 16 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.916 -1.759 25125
10750 1 16 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.323 -1.379 25125
10751 1 16 . 1 1 80 80 ILE H H 80 7.938 7.938 8.880 -0.942 25125
10752 1 16 . 1 1 81 81 MET N N 81 127.255 127.255 126.322 0.933 25125
10753 1 16 . 1 1 81 81 MET HA H 81 5.521 5.521 5.193 0.328 25125
10754 1 16 . 1 1 81 81 MET C C 81 174.534 174.534 175.160 -0.626 25125
10755 1 16 . 1 1 81 81 MET CA C 81 53.513 53.513 55.211 -1.698 25125
10756 1 16 . 1 1 81 81 MET CB C 81 35.483 35.483 36.072 -0.589 25125
10757 1 16 . 1 1 81 81 MET H H 81 8.801 8.801 8.438 0.363 25125
10758 1 16 . 1 1 82 82 THR N N 82 112.857 112.857 117.283 -4.426 25125
10759 1 16 . 1 1 82 82 THR HA H 82 4.914 4.914 4.242 0.672 25125
10760 1 16 . 1 1 82 82 THR C C 82 172.581 172.581 173.202 -0.621 25125
10761 1 16 . 1 1 82 82 THR CA C 82 59.561 59.561 62.541 -2.980 25125
10762 1 16 . 1 1 82 82 THR CB C 82 69.989 69.989 69.449 0.540 25125
10763 1 16 . 1 1 82 82 THR H H 82 7.623 7.623 8.494 -0.871 25125
10764 1 16 . 1 1 83 83 ALA N N 83 129.541 129.541 123.046 6.495 25125
10765 1 16 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.737 0.971 25125
10766 1 16 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.196 -0.658 25125
10767 1 16 . 1 1 83 83 ALA CB C 83 19.147 19.147 18.006 1.141 25125
10768 1 16 . 1 1 83 83 ALA H H 83 9.149 9.149 7.720 1.429 25125
10769 1 16 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.182 0.090 25125
10770 1 16 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.951 3.749 25125
10771 1 16 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.545 1.473 25125
10772 1 16 . 1 1 85 85 SER N N 85 112.633 112.633 115.088 -2.455 25125
10773 1 16 . 1 1 85 85 SER HA H 85 4.198 4.198 4.084 0.114 25125
10774 1 16 . 1 1 85 85 SER C C 85 174.506 174.506 176.186 -1.680 25125
10775 1 16 . 1 1 85 85 SER CA C 85 59.823 59.823 61.157 -1.334 25125
10776 1 16 . 1 1 85 85 SER CB C 85 62.693 62.693 62.772 -0.079 25125
10777 1 16 . 1 1 85 85 SER H H 85 8.224 8.224 8.703 -0.479 25125
10778 1 16 . 1 1 86 86 ASP N N 86 120.886 120.886 121.672 -0.786 25125
10779 1 16 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.304 0.632 25125
10780 1 16 . 1 1 86 86 ASP C C 86 175.881 175.881 178.313 -2.432 25125
10781 1 16 . 1 1 86 86 ASP CA C 86 53.934 53.934 57.213 -3.279 25125
10782 1 16 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.420 1.583 25125
10783 1 16 . 1 1 86 86 ASP H H 86 7.608 7.608 7.914 -0.306 25125
10784 1 16 . 1 1 87 87 LEU N N 87 121.913 121.913 118.640 3.273 25125
10785 1 16 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.828 0.091 25125
10786 1 16 . 1 1 87 87 LEU C C 87 177.586 177.586 177.986 -0.400 25125
10787 1 16 . 1 1 87 87 LEU CA C 87 57.837 57.837 57.374 0.463 25125
10788 1 16 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.838 0.477 25125
10789 1 16 . 1 1 87 87 LEU H H 87 7.498 7.498 7.717 -0.219 25125
10790 1 16 . 1 1 88 88 ASP N N 88 117.621 117.621 118.540 -0.919 25125
10791 1 16 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.280 -0.008 25125
10792 1 16 . 1 1 88 88 ASP C C 88 178.246 178.246 177.296 0.950 25125
10793 1 16 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.547 -0.737 25125
10794 1 16 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.838 -0.704 25125
10795 1 16 . 1 1 88 88 ASP H H 88 8.322 8.322 7.968 0.354 25125
10796 1 16 . 1 1 89 89 ALA N N 89 122.874 122.874 119.780 3.094 25125
10797 1 16 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.411 -0.317 25125
10798 1 16 . 1 1 89 89 ALA C C 89 179.346 179.346 178.821 0.525 25125
10799 1 16 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.163 -0.010 25125
10800 1 16 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.784 -0.523 25125
10801 1 16 . 1 1 89 89 ALA H H 89 7.838 7.838 7.312 0.526 25125
10802 1 16 . 1 1 90 90 ALA N N 90 121.673 121.673 120.898 0.775 25125
10803 1 16 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.237 -0.304 25125
10804 1 16 . 1 1 90 90 ALA C C 90 178.686 178.686 179.746 -1.060 25125
10805 1 16 . 1 1 90 90 ALA CA C 90 54.663 54.663 53.927 0.736 25125
10806 1 16 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.641 -0.259 25125
10807 1 16 . 1 1 90 90 ALA H H 90 7.896 7.896 7.625 0.271 25125
10808 1 16 . 1 1 91 91 VAL N N 91 117.749 117.749 119.232 -1.483 25125
10809 1 16 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.982 -0.370 25125
10810 1 16 . 1 1 91 91 VAL C C 91 178.411 178.411 177.338 1.073 25125
10811 1 16 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.845 -1.664 25125
10812 1 16 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.644 -0.007 25125
10813 1 16 . 1 1 91 91 VAL H H 91 8.098 8.098 8.621 -0.523 25125
10814 1 16 . 1 1 92 92 SER N N 92 114.942 114.942 113.742 1.200 25125
10815 1 16 . 1 1 92 92 SER HA H 92 4.231 4.231 4.469 -0.238 25125
10816 1 16 . 1 1 92 92 SER C C 92 175.826 175.826 175.394 0.432 25125
10817 1 16 . 1 1 92 92 SER CA C 92 60.649 60.649 59.879 0.770 25125
10818 1 16 . 1 1 92 92 SER CB C 92 63.063 63.063 64.355 -1.292 25125
10819 1 16 . 1 1 92 92 SER H H 92 7.825 7.825 8.198 -0.373 25125
10820 1 16 . 1 1 93 93 ALA N N 93 122.580 122.580 123.566 -0.986 25125
10821 1 16 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.438 -0.381 25125
10822 1 16 . 1 1 93 93 ALA C C 93 178.906 178.906 179.546 -0.640 25125
10823 1 16 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.434 -0.116 25125
10824 1 16 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.684 -0.387 25125
10825 1 16 . 1 1 93 93 ALA H H 93 7.861 7.861 7.496 0.365 25125
10826 1 16 . 1 1 94 94 TYR N N 94 118.447 118.447 120.733 -2.286 25125
10827 1 16 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.264 0.228 25125
10828 1 16 . 1 1 94 94 TYR C C 94 177.393 177.393 177.487 -0.094 25125
10829 1 16 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.991 -0.740 25125
10830 1 16 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.415 0.019 25125
10831 1 16 . 1 1 94 94 TYR H H 94 8.150 8.150 7.953 0.197 25125
10832 1 16 . 1 1 95 95 GLN N N 95 119.787 119.787 115.845 3.942 25125
10833 1 16 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.001 0.042 25125
10834 1 16 . 1 1 95 95 GLN C C 95 176.981 176.981 176.386 0.595 25125
10835 1 16 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.831 0.635 25125
10836 1 16 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.802 0.287 25125
10837 1 16 . 1 1 95 95 GLN H H 95 8.271 8.271 7.967 0.304 25125
10838 1 16 . 1 1 96 96 GLN N N 96 117.878 117.878 118.915 -1.037 25125
10839 1 16 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.208 0.137 25125
10840 1 16 . 1 1 96 96 GLN C C 96 175.854 175.854 175.589 0.265 25125
10841 1 16 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.896 0.275 25125
10842 1 16 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.313 0.162 25125
10843 1 16 . 1 1 96 96 GLN H H 96 7.944 7.944 7.676 0.268 25125
10844 1 16 . 1 1 97 97 GLY N N 97 106.670 106.670 104.671 1.999 25125
10845 1 16 . 1 1 97 97 GLY C C 97 174.231 174.231 173.383 0.848 25125
10846 1 16 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.640 0.846 25125
10847 1 16 . 1 1 97 97 GLY H H 97 7.949 7.949 7.293 0.656 25125
10848 1 16 . 1 1 98 98 ALA N N 98 122.898 122.898 121.802 1.096 25125
10849 1 16 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.496 -0.121 25125
10850 1 16 . 1 1 98 98 ALA C C 98 175.991 175.991 175.362 0.629 25125
10851 1 16 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.849 2.319 25125
10852 1 16 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.541 -1.572 25125
10853 1 16 . 1 1 98 98 ALA H H 98 7.808 7.808 7.137 0.671 25125
10854 1 16 . 1 1 99 99 PHE N N 99 123.484 123.484 121.170 2.314 25125
10855 1 16 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.360 -0.010 25125
10856 1 16 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.956 1.500 25125
10857 1 16 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.103 -0.663 25125
10858 1 16 . 1 1 99 99 PHE H H 99 7.704 7.704 8.220 -0.516 25125
10859 1 16 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.862 0.642 25125
10860 1 16 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.209 -1.727 25125
10861 1 16 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.081 4.119 25125
10862 1 16 . 1 1 101 101 TYR N N 101 118.148 118.148 119.955 -1.807 25125
10863 1 16 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.483 0.965 25125
10864 1 16 . 1 1 101 101 TYR C C 101 173.159 173.159 174.749 -1.590 25125
10865 1 16 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.706 -0.719 25125
10866 1 16 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.888 3.010 25125
10867 1 16 . 1 1 101 101 TYR H H 101 9.546 9.546 7.405 2.141 25125
10868 1 16 . 1 1 102 102 LEU N N 102 124.100 124.100 120.303 3.797 25125
10869 1 16 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.092 -0.372 25125
10870 1 16 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.543 -1.044 25125
10871 1 16 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.044 0.017 25125
10872 1 16 . 1 1 102 102 LEU H H 102 8.901 8.901 8.770 0.131 25125
10873 1 16 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.575 0.318 25125
10874 1 16 . 1 1 103 103 PRO C C 103 175.524 175.524 175.697 -0.173 25125
10875 1 16 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.368 -0.483 25125
10876 1 16 . 1 1 103 103 PRO CB C 103 31.807 31.807 33.286 -1.479 25125
10877 1 16 . 1 1 104 104 LYS N N 104 118.848 118.848 120.197 -1.349 25125
10878 1 16 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.882 -0.369 25125
10879 1 16 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.008 0.210 25125
10880 1 16 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.026 2.718 25125
10881 1 16 . 1 1 104 104 LYS H H 104 8.279 8.279 8.194 0.085 25125
10882 1 16 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.367 -0.068 25125
10883 1 16 . 1 1 105 105 PRO C C 105 175.001 175.001 175.680 -0.679 25125
10884 1 16 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.657 -0.263 25125
10885 1 16 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.276 1.819 25125
10886 1 16 . 1 1 106 106 PHE N N 106 116.607 116.607 114.593 2.014 25125
10887 1 16 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.783 0.387 25125
10888 1 16 . 1 1 106 106 PHE C C 106 175.221 175.221 174.751 0.470 25125
10889 1 16 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.182 -2.747 25125
10890 1 16 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.829 -0.429 25125
10891 1 16 . 1 1 106 106 PHE H H 106 7.457 7.457 7.472 -0.015 25125
10892 1 16 . 1 1 107 107 ASP N N 107 122.214 122.214 124.014 -1.800 25125
10893 1 16 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.938 -0.106 25125
10894 1 16 . 1 1 107 107 ASP C C 107 177.778 177.778 176.810 0.968 25125
10895 1 16 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.658 -0.416 25125
10896 1 16 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.068 1.529 25125
10897 1 16 . 1 1 107 107 ASP H H 107 9.022 9.022 8.749 0.273 25125
10898 1 16 . 1 1 108 108 ILE N N 108 127.706 127.706 125.563 2.143 25125
10899 1 16 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.727 0.238 25125
10900 1 16 . 1 1 108 108 ILE C C 108 176.046 176.046 177.298 -1.252 25125
10901 1 16 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.084 -2.095 25125
10902 1 16 . 1 1 108 108 ILE CB C 108 37.754 37.754 37.989 -0.235 25125
10903 1 16 . 1 1 108 108 ILE H H 108 8.860 8.860 8.659 0.201 25125
10904 1 16 . 1 1 109 109 ASP N N 109 120.058 120.058 118.857 1.201 25125
10905 1 16 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.387 0.001 25125
10906 1 16 . 1 1 109 109 ASP C C 109 179.786 179.786 179.026 0.760 25125
10907 1 16 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.770 -0.276 25125
10908 1 16 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.007 0.047 25125
10909 1 16 . 1 1 109 109 ASP H H 109 8.079 8.079 8.677 -0.598 25125
10910 1 16 . 1 1 110 110 GLU N N 110 121.559 121.559 119.719 1.840 25125
10911 1 16 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.256 -0.188 25125
10912 1 16 . 1 1 110 110 GLU C C 110 179.043 179.043 178.528 0.515 25125
10913 1 16 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.206 0.620 25125
10914 1 16 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.958 -0.615 25125
10915 1 16 . 1 1 110 110 GLU H H 110 8.012 8.012 8.014 -0.002 25125
10916 1 16 . 1 1 111 111 ALA N N 111 122.267 122.267 123.692 -1.425 25125
10917 1 16 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.124 -0.370 25125
10918 1 16 . 1 1 111 111 ALA C C 111 178.493 178.493 179.502 -1.009 25125
10919 1 16 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.332 -0.160 25125
10920 1 16 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.379 0.003 25125
10921 1 16 . 1 1 111 111 ALA H H 111 7.897 7.897 8.513 -0.616 25125
10922 1 16 . 1 1 112 112 VAL N N 112 116.527 116.527 117.767 -1.240 25125
10923 1 16 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.586 -0.419 25125
10924 1 16 . 1 1 112 112 VAL C C 112 177.201 177.201 177.868 -0.667 25125
10925 1 16 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.570 0.575 25125
10926 1 16 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.027 0.525 25125
10927 1 16 . 1 1 112 112 VAL H H 112 8.018 8.018 8.429 -0.411 25125
10928 1 16 . 1 1 113 113 ALA N N 113 119.895 119.895 120.215 -0.320 25125
10929 1 16 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.219 -0.081 25125
10930 1 16 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.074 0.758 25125
10931 1 16 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.595 -0.723 25125
10932 1 16 . 1 1 113 113 ALA H H 113 7.673 7.673 7.636 0.037 25125
10933 1 16 . 1 1 114 114 LEU N N 114 120.650 120.650 120.083 0.567 25125
10934 1 16 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.173 -0.090 25125
10935 1 16 . 1 1 114 114 LEU C C 114 178.466 178.466 178.458 0.008 25125
10936 1 16 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.461 0.559 25125
10937 1 16 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.040 -0.207 25125
10938 1 16 . 1 1 114 114 LEU H H 114 7.840 7.840 7.179 0.661 25125
10939 1 16 . 1 1 115 115 VAL N N 115 119.480 119.480 118.403 1.077 25125
10940 1 16 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.490 -0.278 25125
10941 1 16 . 1 1 115 115 VAL C C 115 177.448 177.448 177.063 0.385 25125
10942 1 16 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.905 1.296 25125
10943 1 16 . 1 1 115 115 VAL CB C 115 30.672 30.672 32.008 -1.336 25125
10944 1 16 . 1 1 115 115 VAL H H 115 7.824 7.824 8.081 -0.257 25125
10945 1 16 . 1 1 116 116 GLU N N 116 117.473 117.473 118.830 -1.357 25125
10946 1 16 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.963 -0.174 25125
10947 1 16 . 1 1 116 116 GLU C C 116 179.566 179.566 178.584 0.982 25125
10948 1 16 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.389 0.541 25125
10949 1 16 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.238 -0.142 25125
10950 1 16 . 1 1 116 116 GLU H H 116 8.465 8.465 7.717 0.748 25125
10951 1 16 . 1 1 117 117 ARG N N 117 120.128 120.128 119.573 0.555 25125
10952 1 16 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.081 -0.017 25125
10953 1 16 . 1 1 117 117 ARG C C 117 178.438 178.438 177.625 0.813 25125
10954 1 16 . 1 1 117 117 ARG CA C 117 59.278 59.278 59.042 0.236 25125
10955 1 16 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.870 0.407 25125
10956 1 16 . 1 1 117 117 ARG H H 117 8.012 8.012 7.395 0.617 25125
10957 1 16 . 1 1 118 118 ALA N N 118 122.270 122.270 120.555 1.715 25125
10958 1 16 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.862 -0.406 25125
10959 1 16 . 1 1 118 118 ALA C C 118 178.741 178.741 178.651 0.090 25125
10960 1 16 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.160 0.418 25125
10961 1 16 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.355 -0.197 25125
10962 1 16 . 1 1 118 118 ALA H H 118 7.958 7.958 7.126 0.832 25125
10963 1 16 . 1 1 119 119 ILE N N 119 115.269 115.269 117.283 -2.014 25125
10964 1 16 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.014 -0.286 25125
10965 1 16 . 1 1 119 119 ILE C C 119 177.366 177.366 178.007 -0.641 25125
10966 1 16 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.528 -0.860 25125
10967 1 16 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.535 -0.737 25125
10968 1 16 . 1 1 119 119 ILE H H 119 7.753 7.753 7.358 0.395 25125
10969 1 16 . 1 1 120 120 SER N N 120 115.135 115.135 116.220 -1.085 25125
10970 1 16 . 1 1 120 120 SER HA H 120 4.275 4.275 4.080 0.195 25125
10971 1 16 . 1 1 120 120 SER C C 120 175.084 175.084 176.225 -1.141 25125
10972 1 16 . 1 1 120 120 SER CA C 120 59.816 59.816 61.499 -1.683 25125
10973 1 16 . 1 1 120 120 SER CB C 120 63.380 63.380 62.438 0.942 25125
10974 1 16 . 1 1 120 120 SER H H 120 7.816 7.816 8.460 -0.644 25125
10975 1 16 . 1 1 121 121 HIS N N 121 119.908 119.908 120.976 -1.068 25125
10976 1 16 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.110 0.312 25125
10977 1 16 . 1 1 121 121 HIS C C 121 175.029 175.029 176.622 -1.593 25125
10978 1 16 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.898 -1.662 25125
10979 1 16 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.625 -0.197 25125
10980 1 16 . 1 1 121 121 HIS H H 121 7.910 7.910 7.516 0.394 25125
10981 1 16 . 1 1 122 122 TYR N N 122 118.880 118.880 118.146 0.734 25125
10982 1 16 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.652 -0.226 25125
10983 1 16 . 1 1 122 122 TYR C C 122 175.276 175.276 175.187 0.089 25125
10984 1 16 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.245 0.204 25125
10985 1 16 . 1 1 122 122 TYR CB C 122 38.604 38.604 37.263 1.341 25125
10986 1 16 . 1 1 122 122 TYR H H 122 7.766 7.766 7.915 -0.149 25125
10987 1 16 . 1 1 123 123 GLN N N 123 121.479 121.479 117.296 4.183 25125
10988 1 16 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.259 0.011 25125
10989 1 16 . 1 1 123 123 GLN C C 123 174.534 174.534 175.234 -0.700 25125
10990 1 16 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.958 -0.446 25125
10991 1 16 . 1 1 123 123 GLN CB C 123 29.768 29.768 30.834 -1.066 25125
10992 1 16 . 1 1 123 123 GLN H H 123 7.878 7.878 8.053 -0.175 25125
10993 1 17 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.635 -0.202 25125
10994 1 17 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.565 -0.001 25125
10995 1 17 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.958 2.642 25125
10996 1 17 . 1 1 3 3 ARG N N 3 121.252 121.252 120.157 1.095 25125
10997 1 17 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.122 0.243 25125
10998 1 17 . 1 1 3 3 ARG C C 3 175.634 175.634 176.076 -0.442 25125
10999 1 17 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.802 -0.811 25125
11000 1 17 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.140 1.157 25125
11001 1 17 . 1 1 3 3 ARG H H 3 8.429 8.429 7.847 0.582 25125
11002 1 17 . 1 1 4 4 GLY N N 4 107.663 107.663 106.248 1.415 25125
11003 1 17 . 1 1 4 4 GLY C C 4 171.041 171.041 173.522 -2.481 25125
11004 1 17 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.226 1.090 25125
11005 1 17 . 1 1 4 4 GLY H H 4 7.963 7.963 7.761 0.202 25125
11006 1 17 . 1 1 5 5 ILE N N 5 122.603 122.603 124.686 -2.083 25125
11007 1 17 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.006 0.693 25125
11008 1 17 . 1 1 5 5 ILE C C 5 175.359 175.359 174.999 0.360 25125
11009 1 17 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.855 -1.245 25125
11010 1 17 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.653 -0.077 25125
11011 1 17 . 1 1 5 5 ILE H H 5 9.610 9.610 7.912 1.698 25125
11012 1 17 . 1 1 6 6 VAL N N 6 127.905 127.905 124.665 3.240 25125
11013 1 17 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.045 -0.233 25125
11014 1 17 . 1 1 6 6 VAL C C 6 174.204 174.204 175.183 -0.979 25125
11015 1 17 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.229 -0.670 25125
11016 1 17 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.318 1.208 25125
11017 1 17 . 1 1 6 6 VAL H H 6 9.090 9.090 8.216 0.874 25125
11018 1 17 . 1 1 7 7 TRP N N 7 127.467 127.467 127.283 0.184 25125
11019 1 17 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.453 1.001 25125
11020 1 17 . 1 1 7 7 TRP C C 7 175.056 175.056 175.568 -0.512 25125
11021 1 17 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.263 -1.385 25125
11022 1 17 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.712 0.422 25125
11023 1 17 . 1 1 7 7 TRP H H 7 8.497 8.497 8.612 -0.115 25125
11024 1 17 . 1 1 8 8 VAL N N 8 122.068 122.068 117.151 4.917 25125
11025 1 17 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.478 0.608 25125
11026 1 17 . 1 1 8 8 VAL C C 8 173.874 173.874 173.822 0.052 25125
11027 1 17 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.467 -0.981 25125
11028 1 17 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.037 -0.322 25125
11029 1 17 . 1 1 8 8 VAL H H 8 8.583 8.583 9.217 -0.634 25125
11030 1 17 . 1 1 9 9 VAL N N 9 127.733 127.733 124.493 3.240 25125
11031 1 17 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.606 0.355 25125
11032 1 17 . 1 1 9 9 VAL C C 9 173.131 173.131 174.203 -1.072 25125
11033 1 17 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.562 -0.887 25125
11034 1 17 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.148 0.763 25125
11035 1 17 . 1 1 9 9 VAL H H 9 9.107 9.107 8.689 0.418 25125
11036 1 17 . 1 1 10 10 ASP N N 10 124.306 124.306 125.611 -1.305 25125
11037 1 17 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.910 -0.341 25125
11038 1 17 . 1 1 10 10 ASP C C 10 175.029 175.029 174.471 0.558 25125
11039 1 17 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.635 2.112 25125
11040 1 17 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.900 0.209 25125
11041 1 17 . 1 1 10 10 ASP H H 10 7.775 7.775 7.939 -0.164 25125
11042 1 17 . 1 1 11 11 ASP N N 11 126.714 126.714 117.656 9.058 25125
11043 1 17 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.983 -0.448 25125
11044 1 17 . 1 1 11 11 ASP C C 11 175.689 175.689 174.690 0.999 25125
11045 1 17 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.157 2.561 25125
11046 1 17 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.417 -0.343 25125
11047 1 17 . 1 1 11 11 ASP H H 11 9.033 9.033 8.630 0.403 25125
11048 1 17 . 1 1 12 12 ASP N N 12 121.877 121.877 119.485 2.392 25125
11049 1 17 . 1 1 12 12 ASP HA H 12 4.646 4.646 5.003 -0.357 25125
11050 1 17 . 1 1 12 12 ASP C C 12 177.036 177.036 176.619 0.417 25125
11051 1 17 . 1 1 12 12 ASP CA C 12 53.303 53.303 52.907 0.396 25125
11052 1 17 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.031 -2.867 25125
11053 1 17 . 1 1 12 12 ASP H H 12 9.570 9.570 7.988 1.582 25125
11054 1 17 . 1 1 13 13 SER N N 13 123.799 123.799 117.824 5.975 25125
11055 1 17 . 1 1 13 13 SER HA H 13 3.761 3.761 4.361 -0.600 25125
11056 1 17 . 1 1 13 13 SER C C 13 176.156 176.156 176.057 0.099 25125
11057 1 17 . 1 1 13 13 SER CA C 13 61.186 61.186 61.505 -0.320 25125
11058 1 17 . 1 1 13 13 SER CB C 13 62.749 62.749 63.238 -0.489 25125
11059 1 17 . 1 1 13 13 SER H H 13 8.850 8.850 8.831 0.019 25125
11060 1 17 . 1 1 14 14 SER N N 14 119.123 119.123 117.193 1.930 25125
11061 1 17 . 1 1 14 14 SER HA H 14 4.361 4.361 4.378 -0.017 25125
11062 1 17 . 1 1 14 14 SER C C 14 176.404 176.404 176.646 -0.242 25125
11063 1 17 . 1 1 14 14 SER CA C 14 61.730 61.730 61.355 0.375 25125
11064 1 17 . 1 1 14 14 SER CB C 14 62.548 62.548 62.756 -0.208 25125
11065 1 17 . 1 1 14 14 SER H H 14 8.531 8.531 8.545 -0.014 25125
11066 1 17 . 1 1 15 15 ILE N N 15 123.637 123.637 122.470 1.167 25125
11067 1 17 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.865 0.080 25125
11068 1 17 . 1 1 15 15 ILE C C 15 177.861 177.861 177.899 -0.038 25125
11069 1 17 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.776 -2.576 25125
11070 1 17 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.575 -0.689 25125
11071 1 17 . 1 1 15 15 ILE H H 15 7.206 7.206 8.286 -1.080 25125
11072 1 17 . 1 1 16 16 ARG N N 16 116.694 116.694 118.487 -1.793 25125
11073 1 17 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.270 -0.547 25125
11074 1 17 . 1 1 16 16 ARG C C 16 177.448 177.448 178.355 -0.907 25125
11075 1 17 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.950 2.623 25125
11076 1 17 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.142 0.305 25125
11077 1 17 . 1 1 16 16 ARG H H 16 7.562 7.562 7.605 -0.043 25125
11078 1 17 . 1 1 17 17 TRP N N 17 116.848 116.848 122.215 -5.367 25125
11079 1 17 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.419 0.052 25125
11080 1 17 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.279 0.161 25125
11081 1 17 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.531 -0.239 25125
11082 1 17 . 1 1 17 17 TRP H H 17 8.005 8.005 7.327 0.678 25125
11083 1 17 . 1 1 18 18 VAL N N 18 116.964 116.964 119.600 -2.636 25125
11084 1 17 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.710 0.965 25125
11085 1 17 . 1 1 18 18 VAL C C 18 179.181 179.181 177.557 1.624 25125
11086 1 17 . 1 1 18 18 VAL CA C 18 65.708 65.708 66.230 -0.522 25125
11087 1 17 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.744 -0.107 25125
11088 1 17 . 1 1 18 18 VAL H H 18 8.110 8.110 8.615 -0.505 25125
11089 1 17 . 1 1 19 19 LEU N N 19 120.186 120.186 117.704 2.482 25125
11090 1 17 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.120 -0.045 25125
11091 1 17 . 1 1 19 19 LEU C C 19 177.778 177.778 178.932 -1.154 25125
11092 1 17 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.394 0.428 25125
11093 1 17 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.600 0.181 25125
11094 1 17 . 1 1 19 19 LEU H H 19 8.073 8.073 7.527 0.546 25125
11095 1 17 . 1 1 20 20 GLU N N 20 120.193 120.193 119.364 0.829 25125
11096 1 17 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.043 -0.102 25125
11097 1 17 . 1 1 20 20 GLU C C 20 178.603 178.603 178.774 -0.171 25125
11098 1 17 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.182 1.428 25125
11099 1 17 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.802 -0.714 25125
11100 1 17 . 1 1 20 20 GLU H H 20 8.387 8.387 8.130 0.257 25125
11101 1 17 . 1 1 21 21 ARG N N 21 116.076 116.076 118.278 -2.202 25125
11102 1 17 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.884 0.009 25125
11103 1 17 . 1 1 21 21 ARG C C 21 179.676 179.676 178.529 1.147 25125
11104 1 17 . 1 1 21 21 ARG CA C 21 58.449 58.449 57.242 1.207 25125
11105 1 17 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.600 1.253 25125
11106 1 17 . 1 1 21 21 ARG H H 21 7.602 7.602 7.931 -0.329 25125
11107 1 17 . 1 1 22 22 ALA N N 22 122.405 122.405 121.904 0.501 25125
11108 1 17 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.083 0.014 25125
11109 1 17 . 1 1 22 22 ALA C C 22 180.501 180.501 179.553 0.948 25125
11110 1 17 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.817 -0.239 25125
11111 1 17 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.098 1.134 25125
11112 1 17 . 1 1 22 22 ALA H H 22 7.992 7.992 7.528 0.464 25125
11113 1 17 . 1 1 23 23 LEU N N 23 118.026 118.026 117.427 0.599 25125
11114 1 17 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.274 -0.273 25125
11115 1 17 . 1 1 23 23 LEU C C 23 178.878 178.878 179.103 -0.225 25125
11116 1 17 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.991 1.730 25125
11117 1 17 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.858 -2.204 25125
11118 1 17 . 1 1 23 23 LEU H H 23 8.825 8.825 7.492 1.333 25125
11119 1 17 . 1 1 24 24 ALA N N 24 122.159 122.159 122.606 -0.447 25125
11120 1 17 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.034 0.599 25125
11121 1 17 . 1 1 24 24 ALA C C 24 183.141 183.141 178.690 4.451 25125
11122 1 17 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.470 0.277 25125
11123 1 17 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.583 -0.881 25125
11124 1 17 . 1 1 24 24 ALA H H 24 8.125 8.125 8.143 -0.018 25125
11125 1 17 . 1 1 25 25 GLY N N 25 106.891 106.891 105.317 1.574 25125
11126 1 17 . 1 1 25 25 GLY C C 25 174.286 174.286 174.104 0.182 25125
11127 1 17 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.975 1.446 25125
11128 1 17 . 1 1 25 25 GLY H H 25 7.870 7.870 7.814 0.056 25125
11129 1 17 . 1 1 26 26 ALA N N 26 121.819 121.819 123.393 -1.574 25125
11130 1 17 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.619 -0.120 25125
11131 1 17 . 1 1 26 26 ALA C C 26 176.953 176.953 177.285 -0.332 25125
11132 1 17 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.265 0.254 25125
11133 1 17 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.206 -1.484 25125
11134 1 17 . 1 1 26 26 ALA H H 26 7.285 7.285 7.146 0.139 25125
11135 1 17 . 1 1 27 27 GLY N N 27 106.197 106.197 106.915 -0.718 25125
11136 1 17 . 1 1 27 27 GLY C C 27 173.956 173.956 173.161 0.795 25125
11137 1 17 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.967 0.349 25125
11138 1 17 . 1 1 27 27 GLY H H 27 7.824 7.824 8.359 -0.535 25125
11139 1 17 . 1 1 28 28 LEU N N 28 120.291 120.291 119.073 1.218 25125
11140 1 17 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.874 -0.299 25125
11141 1 17 . 1 1 28 28 LEU C C 28 175.881 175.881 176.040 -0.159 25125
11142 1 17 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.865 0.778 25125
11143 1 17 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.600 -2.115 25125
11144 1 17 . 1 1 28 28 LEU H H 28 7.678 7.678 7.180 0.498 25125
11145 1 17 . 1 1 29 29 THR N N 29 118.040 118.040 117.666 0.374 25125
11146 1 17 . 1 1 29 29 THR HA H 29 4.335 4.335 4.359 -0.024 25125
11147 1 17 . 1 1 29 29 THR C C 29 173.186 173.186 173.988 -0.802 25125
11148 1 17 . 1 1 29 29 THR CA C 29 62.479 62.479 63.462 -0.983 25125
11149 1 17 . 1 1 29 29 THR CB C 29 69.465 69.465 69.288 0.177 25125
11150 1 17 . 1 1 29 29 THR H H 29 8.527 8.527 8.547 -0.020 25125
11151 1 17 . 1 1 30 30 CYS N N 30 128.387 128.387 124.837 3.550 25125
11152 1 17 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.673 0.270 25125
11153 1 17 . 1 1 30 30 CYS C C 30 173.846 173.846 174.375 -0.529 25125
11154 1 17 . 1 1 30 30 CYS CA C 30 56.362 56.362 55.991 0.371 25125
11155 1 17 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.378 0.102 25125
11156 1 17 . 1 1 30 30 CYS H H 30 8.968 8.968 8.418 0.550 25125
11157 1 17 . 1 1 31 31 THR N N 31 126.481 126.481 123.345 3.136 25125
11158 1 17 . 1 1 31 31 THR HA H 31 4.433 4.433 4.366 0.067 25125
11159 1 17 . 1 1 31 31 THR C C 31 172.609 172.609 173.395 -0.786 25125
11160 1 17 . 1 1 31 31 THR CA C 31 61.951 61.951 61.577 0.374 25125
11161 1 17 . 1 1 31 31 THR CB C 31 70.567 70.567 69.687 0.880 25125
11162 1 17 . 1 1 31 31 THR H H 31 8.614 8.614 8.412 0.202 25125
11163 1 17 . 1 1 32 32 THR N N 32 116.418 116.418 118.801 -2.383 25125
11164 1 17 . 1 1 32 32 THR HA H 32 5.330 5.330 4.768 0.562 25125
11165 1 17 . 1 1 32 32 THR C C 32 172.306 172.306 173.448 -1.142 25125
11166 1 17 . 1 1 32 32 THR CA C 32 59.173 59.173 60.887 -1.714 25125
11167 1 17 . 1 1 32 32 THR CB C 32 70.917 70.917 70.078 0.839 25125
11168 1 17 . 1 1 32 32 THR H H 32 8.299 8.299 8.224 0.075 25125
11169 1 17 . 1 1 33 33 PHE N N 33 118.067 118.067 124.248 -6.181 25125
11170 1 17 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.709 -0.066 25125
11171 1 17 . 1 1 33 33 PHE C C 33 174.341 174.341 175.305 -0.964 25125
11172 1 17 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.190 0.342 25125
11173 1 17 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.296 1.013 25125
11174 1 17 . 1 1 33 33 PHE H H 33 8.890 8.890 8.760 0.130 25125
11175 1 17 . 1 1 34 34 GLU N N 34 118.499 118.499 115.781 2.718 25125
11176 1 17 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.788 -0.434 25125
11177 1 17 . 1 1 34 34 GLU C C 34 175.414 175.414 175.131 0.283 25125
11178 1 17 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.501 1.191 25125
11179 1 17 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.731 0.736 25125
11180 1 17 . 1 1 34 34 GLU H H 34 9.023 9.023 8.650 0.373 25125
11181 1 17 . 1 1 35 35 ASN N N 35 109.907 109.907 118.209 -8.302 25125
11182 1 17 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.890 -0.109 25125
11183 1 17 . 1 1 35 35 ASN C C 35 175.139 175.139 175.771 -0.632 25125
11184 1 17 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.248 -1.101 25125
11185 1 17 . 1 1 35 35 ASN CB C 35 41.323 41.323 41.126 0.197 25125
11186 1 17 . 1 1 35 35 ASN H H 35 7.401 7.401 7.621 -0.220 25125
11187 1 17 . 1 1 36 36 GLY N N 36 106.739 106.739 112.438 -5.699 25125
11188 1 17 . 1 1 36 36 GLY C C 36 174.616 174.616 175.051 -0.435 25125
11189 1 17 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.580 -0.564 25125
11190 1 17 . 1 1 36 36 GLY H H 36 8.877 8.877 9.071 -0.194 25125
11191 1 17 . 1 1 37 37 ASN N N 37 120.462 120.462 117.680 2.782 25125
11192 1 17 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.417 -0.055 25125
11193 1 17 . 1 1 37 37 ASN C C 37 178.686 178.686 177.344 1.342 25125
11194 1 17 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.457 1.075 25125
11195 1 17 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.101 -0.517 25125
11196 1 17 . 1 1 37 37 ASN H H 37 8.366 8.366 8.693 -0.327 25125
11197 1 17 . 1 1 38 38 GLU N N 38 119.360 119.360 118.409 0.951 25125
11198 1 17 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.229 -0.159 25125
11199 1 17 . 1 1 38 38 GLU C C 38 179.263 179.263 177.348 1.915 25125
11200 1 17 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.767 0.865 25125
11201 1 17 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.078 0.454 25125
11202 1 17 . 1 1 38 38 GLU H H 38 7.990 7.990 7.968 0.022 25125
11203 1 17 . 1 1 39 39 VAL N N 39 119.259 119.259 118.976 0.283 25125
11204 1 17 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.060 -0.292 25125
11205 1 17 . 1 1 39 39 VAL C C 39 176.431 176.431 177.197 -0.766 25125
11206 1 17 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.217 -0.274 25125
11207 1 17 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.974 -0.898 25125
11208 1 17 . 1 1 39 39 VAL H H 39 6.883 6.883 7.374 -0.491 25125
11209 1 17 . 1 1 40 40 LEU N N 40 119.627 119.627 121.361 -1.734 25125
11210 1 17 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.962 -0.035 25125
11211 1 17 . 1 1 40 40 LEU C C 40 179.538 179.538 177.968 1.570 25125
11212 1 17 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.097 -0.157 25125
11213 1 17 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.474 -0.406 25125
11214 1 17 . 1 1 40 40 LEU H H 40 7.692 7.692 8.265 -0.573 25125
11215 1 17 . 1 1 41 41 ALA N N 41 120.051 120.051 120.098 -0.047 25125
11216 1 17 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.137 0.003 25125
11217 1 17 . 1 1 41 41 ALA C C 41 180.528 180.528 179.382 1.146 25125
11218 1 17 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.467 0.183 25125
11219 1 17 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.894 -0.028 25125
11220 1 17 . 1 1 41 41 ALA H H 41 7.553 7.553 7.882 -0.329 25125
11221 1 17 . 1 1 42 42 ALA N N 42 122.731 122.731 121.984 0.747 25125
11222 1 17 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.154 0.045 25125
11223 1 17 . 1 1 42 42 ALA C C 42 180.198 180.198 180.291 -0.093 25125
11224 1 17 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.455 0.578 25125
11225 1 17 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.334 1.065 25125
11226 1 17 . 1 1 42 42 ALA H H 42 7.604 7.604 7.176 0.428 25125
11227 1 17 . 1 1 43 43 LEU N N 43 119.131 119.131 118.588 0.543 25125
11228 1 17 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.986 1.220 25125
11229 1 17 . 1 1 43 43 LEU C C 43 177.421 177.421 178.931 -1.510 25125
11230 1 17 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.473 -1.928 25125
11231 1 17 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.105 1.499 25125
11232 1 17 . 1 1 43 43 LEU H H 43 8.288 8.288 8.043 0.245 25125
11233 1 17 . 1 1 44 44 ALA N N 44 119.065 119.065 119.030 0.035 25125
11234 1 17 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.210 0.019 25125
11235 1 17 . 1 1 44 44 ALA C C 44 178.686 178.686 178.367 0.319 25125
11236 1 17 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.774 0.464 25125
11237 1 17 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.364 0.152 25125
11238 1 17 . 1 1 44 44 ALA H H 44 7.302 7.302 7.804 -0.502 25125
11239 1 17 . 1 1 45 45 SER N N 45 108.656 108.656 115.095 -6.439 25125
11240 1 17 . 1 1 45 45 SER HA H 45 4.742 4.742 4.329 0.413 25125
11241 1 17 . 1 1 45 45 SER C C 45 173.296 173.296 176.471 -3.175 25125
11242 1 17 . 1 1 45 45 SER CA C 45 58.656 58.656 60.809 -2.153 25125
11243 1 17 . 1 1 45 45 SER CB C 45 65.407 65.407 63.826 1.581 25125
11244 1 17 . 1 1 45 45 SER H H 45 7.728 7.728 8.148 -0.420 25125
11245 1 17 . 1 1 46 46 LYS N N 46 123.016 123.016 116.911 6.105 25125
11246 1 17 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.621 -0.035 25125
11247 1 17 . 1 1 46 46 LYS C C 46 172.719 172.719 175.577 -2.858 25125
11248 1 17 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.386 -0.874 25125
11249 1 17 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.924 2.301 25125
11250 1 17 . 1 1 46 46 LYS H H 46 8.101 8.101 7.874 0.227 25125
11251 1 17 . 1 1 47 47 THR N N 47 111.780 111.780 113.724 -1.944 25125
11252 1 17 . 1 1 47 47 THR HA H 47 4.282 4.282 3.846 0.436 25125
11253 1 17 . 1 1 47 47 THR CA C 47 57.806 57.806 62.248 -4.442 25125
11254 1 17 . 1 1 47 47 THR CB C 47 70.594 70.594 67.872 2.722 25125
11255 1 17 . 1 1 47 47 THR H H 47 7.677 7.677 7.768 -0.091 25125
11256 1 17 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.912 -0.007 25125
11257 1 17 . 1 1 48 48 PRO C C 48 172.966 172.966 175.313 -2.347 25125
11258 1 17 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.404 -1.540 25125
11259 1 17 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.523 -1.246 25125
11260 1 17 . 1 1 49 49 ASP N N 49 115.035 115.035 117.994 -2.959 25125
11261 1 17 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.781 -0.337 25125
11262 1 17 . 1 1 49 49 ASP C C 49 175.634 175.634 175.086 0.548 25125
11263 1 17 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.620 1.827 25125
11264 1 17 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.270 0.242 25125
11265 1 17 . 1 1 49 49 ASP H H 49 8.502 8.502 8.134 0.368 25125
11266 1 17 . 1 1 50 50 VAL N N 50 112.082 112.082 115.066 -2.984 25125
11267 1 17 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.401 -0.121 25125
11268 1 17 . 1 1 50 50 VAL C C 50 171.454 171.454 172.748 -1.294 25125
11269 1 17 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.261 -0.699 25125
11270 1 17 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.531 1.105 25125
11271 1 17 . 1 1 50 50 VAL H H 50 7.173 7.173 7.074 0.099 25125
11272 1 17 . 1 1 51 51 LEU N N 51 128.247 128.247 125.452 2.795 25125
11273 1 17 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.291 0.028 25125
11274 1 17 . 1 1 51 51 LEU C C 51 173.104 173.104 175.176 -2.072 25125
11275 1 17 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.161 0.057 25125
11276 1 17 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.243 0.263 25125
11277 1 17 . 1 1 51 51 LEU H H 51 8.059 8.059 8.361 -0.302 25125
11278 1 17 . 1 1 52 52 LEU N N 52 128.407 128.407 120.764 7.643 25125
11279 1 17 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.975 0.526 25125
11280 1 17 . 1 1 52 52 LEU C C 52 175.414 175.414 175.891 -0.477 25125
11281 1 17 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.373 -0.050 25125
11282 1 17 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.187 1.334 25125
11283 1 17 . 1 1 52 52 LEU H H 52 9.242 9.242 8.307 0.935 25125
11284 1 17 . 1 1 53 53 SER N N 53 114.946 114.946 116.807 -1.861 25125
11285 1 17 . 1 1 53 53 SER HA H 53 5.595 5.595 4.428 1.167 25125
11286 1 17 . 1 1 53 53 SER C C 53 174.644 174.644 174.213 0.431 25125
11287 1 17 . 1 1 53 53 SER CA C 53 55.954 55.954 57.903 -1.949 25125
11288 1 17 . 1 1 53 53 SER CB C 53 66.473 66.473 64.249 2.224 25125
11289 1 17 . 1 1 53 53 SER H H 53 8.695 8.695 7.912 0.783 25125
11290 1 17 . 1 1 54 54 ASP N N 54 128.341 128.341 124.482 3.859 25125
11291 1 17 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.797 0.528 25125
11292 1 17 . 1 1 54 54 ASP C C 54 176.816 176.816 176.461 0.355 25125
11293 1 17 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.383 1.110 25125
11294 1 17 . 1 1 54 54 ASP CB C 54 42.328 42.328 41.999 0.329 25125
11295 1 17 . 1 1 54 54 ASP H H 54 7.886 7.886 8.209 -0.323 25125
11296 1 17 . 1 1 55 55 ILE N N 55 121.229 121.229 117.485 3.744 25125
11297 1 17 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.663 0.522 25125
11298 1 17 . 1 1 55 55 ILE C C 55 175.084 175.084 174.858 0.226 25125
11299 1 17 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.968 -0.425 25125
11300 1 17 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.484 3.545 25125
11301 1 17 . 1 1 55 55 ILE H H 55 8.722 8.722 8.253 0.469 25125
11302 1 17 . 1 1 56 56 ARG N N 56 124.188 124.188 120.924 3.264 25125
11303 1 17 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.362 0.143 25125
11304 1 17 . 1 1 56 56 ARG C C 56 175.661 175.661 175.564 0.097 25125
11305 1 17 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.162 -0.721 25125
11306 1 17 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.525 -1.163 25125
11307 1 17 . 1 1 56 56 ARG H H 56 8.499 8.499 8.398 0.101 25125
11308 1 17 . 1 1 57 57 MET N N 57 122.581 122.581 119.808 2.773 25125
11309 1 17 . 1 1 57 57 MET HA H 57 4.821 4.821 4.759 0.062 25125
11310 1 17 . 1 1 57 57 MET CA C 57 53.132 53.132 53.803 -0.671 25125
11311 1 17 . 1 1 57 57 MET CB C 57 33.445 33.445 32.377 1.068 25125
11312 1 17 . 1 1 57 57 MET H H 57 7.956 7.956 7.760 0.196 25125
11313 1 17 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.408 -0.015 25125
11314 1 17 . 1 1 58 58 PRO C C 58 177.806 177.806 178.411 -0.605 25125
11315 1 17 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.228 -0.729 25125
11316 1 17 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.932 -0.125 25125
11317 1 17 . 1 1 59 59 GLY N N 59 111.082 111.082 108.526 2.556 25125
11318 1 17 . 1 1 59 59 GLY C C 59 173.626 173.626 174.575 -0.949 25125
11319 1 17 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.145 0.445 25125
11320 1 17 . 1 1 59 59 GLY H H 59 8.653 8.653 7.788 0.865 25125
11321 1 17 . 1 1 60 60 MET N N 60 120.052 120.052 120.937 -0.885 25125
11322 1 17 . 1 1 60 60 MET HA H 60 4.525 4.525 4.326 0.199 25125
11323 1 17 . 1 1 60 60 MET C C 60 173.956 173.956 176.429 -2.473 25125
11324 1 17 . 1 1 60 60 MET CA C 60 55.047 55.047 55.728 -0.681 25125
11325 1 17 . 1 1 60 60 MET CB C 60 34.506 34.506 33.307 1.199 25125
11326 1 17 . 1 1 60 60 MET H H 60 7.968 7.968 8.015 -0.047 25125
11327 1 17 . 1 1 61 61 ASP N N 61 121.306 121.306 123.221 -1.915 25125
11328 1 17 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.433 0.271 25125
11329 1 17 . 1 1 61 61 ASP C C 61 176.761 176.761 177.808 -1.047 25125
11330 1 17 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.559 -1.830 25125
11331 1 17 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.295 -0.226 25125
11332 1 17 . 1 1 61 61 ASP H H 61 8.379 8.379 8.558 -0.179 25125
11333 1 17 . 1 1 62 62 GLY N N 62 110.874 110.874 106.795 4.079 25125
11334 1 17 . 1 1 62 62 GLY C C 62 175.194 175.194 175.516 -0.322 25125
11335 1 17 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.031 1.070 25125
11336 1 17 . 1 1 62 62 GLY H H 62 8.707 8.707 8.176 0.531 25125
11337 1 17 . 1 1 63 63 LEU N N 63 121.299 121.299 119.902 1.397 25125
11338 1 17 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.451 -0.274 25125
11339 1 17 . 1 1 63 63 LEU C C 63 178.356 178.356 178.150 0.206 25125
11340 1 17 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.629 1.249 25125
11341 1 17 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.394 0.844 25125
11342 1 17 . 1 1 63 63 LEU H H 63 8.045 8.045 7.476 0.569 25125
11343 1 17 . 1 1 64 64 ALA N N 64 122.741 122.741 122.797 -0.056 25125
11344 1 17 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.072 -0.010 25125
11345 1 17 . 1 1 64 64 ALA C C 64 180.556 180.556 179.197 1.359 25125
11346 1 17 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.128 -0.513 25125
11347 1 17 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.090 -0.090 25125
11348 1 17 . 1 1 64 64 ALA H H 64 7.859 7.859 8.198 -0.339 25125
11349 1 17 . 1 1 65 65 LEU N N 65 120.287 120.287 114.165 6.122 25125
11350 1 17 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.392 -0.330 25125
11351 1 17 . 1 1 65 65 LEU C C 65 178.191 178.191 178.319 -0.128 25125
11352 1 17 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.314 1.705 25125
11353 1 17 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.281 -1.042 25125
11354 1 17 . 1 1 65 65 LEU H H 65 8.022 8.022 7.763 0.259 25125
11355 1 17 . 1 1 66 66 LEU N N 66 118.738 118.738 120.136 -1.398 25125
11356 1 17 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.195 -0.337 25125
11357 1 17 . 1 1 66 66 LEU C C 66 178.631 178.631 178.764 -0.133 25125
11358 1 17 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.428 1.918 25125
11359 1 17 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.950 0.288 25125
11360 1 17 . 1 1 66 66 LEU H H 66 8.101 8.101 7.724 0.377 25125
11361 1 17 . 1 1 67 67 LYS N N 67 117.842 117.842 117.508 0.334 25125
11362 1 17 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.113 -0.131 25125
11363 1 17 . 1 1 67 67 LYS C C 67 179.263 179.263 178.696 0.567 25125
11364 1 17 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.655 1.142 25125
11365 1 17 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.969 0.238 25125
11366 1 17 . 1 1 67 67 LYS H H 67 8.010 8.010 8.341 -0.331 25125
11367 1 17 . 1 1 68 68 GLN N N 68 118.875 118.875 117.743 1.132 25125
11368 1 17 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.276 -0.220 25125
11369 1 17 . 1 1 68 68 GLN C C 68 179.071 179.071 177.622 1.449 25125
11370 1 17 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.185 0.888 25125
11371 1 17 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.860 -0.249 25125
11372 1 17 . 1 1 68 68 GLN H H 68 7.809 7.809 7.523 0.286 25125
11373 1 17 . 1 1 69 69 ILE N N 69 120.377 120.377 121.458 -1.081 25125
11374 1 17 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.985 -0.455 25125
11375 1 17 . 1 1 69 69 ILE C C 69 177.421 177.421 178.064 -0.643 25125
11376 1 17 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.708 1.170 25125
11377 1 17 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.507 0.077 25125
11378 1 17 . 1 1 69 69 ILE H H 69 8.481 8.481 7.517 0.964 25125
11379 1 17 . 1 1 70 70 LYS N N 70 117.873 117.873 118.170 -0.297 25125
11380 1 17 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.167 -0.207 25125
11381 1 17 . 1 1 70 70 LYS C C 70 178.053 178.053 177.595 0.458 25125
11382 1 17 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.334 -1.246 25125
11383 1 17 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.005 -0.793 25125
11384 1 17 . 1 1 70 70 LYS H H 70 8.220 8.220 7.839 0.381 25125
11385 1 17 . 1 1 71 71 GLN N N 71 116.315 116.315 117.144 -0.829 25125
11386 1 17 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.203 -0.211 25125
11387 1 17 . 1 1 71 71 GLN C C 71 177.366 177.366 177.897 -0.531 25125
11388 1 17 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.621 0.569 25125
11389 1 17 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.235 -0.570 25125
11390 1 17 . 1 1 71 71 GLN H H 71 7.601 7.601 7.403 0.198 25125
11391 1 17 . 1 1 72 72 ARG N N 72 116.530 116.530 117.294 -0.764 25125
11392 1 17 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.069 -0.039 25125
11393 1 17 . 1 1 72 72 ARG C C 72 175.826 175.826 175.912 -0.086 25125
11394 1 17 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.251 -0.029 25125
11395 1 17 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.763 0.039 25125
11396 1 17 . 1 1 72 72 ARG H H 72 7.301 7.301 8.191 -0.890 25125
11397 1 17 . 1 1 73 73 HIS N N 73 116.755 116.755 115.479 1.276 25125
11398 1 17 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.001 -0.041 25125
11399 1 17 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.306 -0.088 25125
11400 1 17 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.718 -0.156 25125
11401 1 17 . 1 1 73 73 HIS H H 73 8.331 8.331 7.898 0.433 25125
11402 1 17 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.496 0.003 25125
11403 1 17 . 1 1 74 74 PRO C C 74 178.466 178.466 177.620 0.846 25125
11404 1 17 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.850 0.263 25125
11405 1 17 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.151 -0.056 25125
11406 1 17 . 1 1 75 75 MET N N 75 114.814 114.814 114.361 0.453 25125
11407 1 17 . 1 1 75 75 MET HA H 75 4.567 4.567 4.451 0.116 25125
11408 1 17 . 1 1 75 75 MET C C 75 176.046 176.046 175.443 0.603 25125
11409 1 17 . 1 1 75 75 MET CA C 75 54.266 54.266 54.820 -0.554 25125
11410 1 17 . 1 1 75 75 MET CB C 75 31.288 31.288 31.428 -0.140 25125
11411 1 17 . 1 1 75 75 MET H H 75 8.623 8.623 7.857 0.766 25125
11412 1 17 . 1 1 76 76 LEU N N 76 125.533 125.533 123.687 1.846 25125
11413 1 17 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.682 -0.377 25125
11414 1 17 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.648 1.464 25125
11415 1 17 . 1 1 76 76 LEU CB C 76 43.685 43.685 42.950 0.735 25125
11416 1 17 . 1 1 76 76 LEU H H 76 7.337 7.337 7.076 0.261 25125
11417 1 17 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.481 -0.035 25125
11418 1 17 . 1 1 77 77 PRO C C 77 174.974 174.974 175.221 -0.247 25125
11419 1 17 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.506 0.321 25125
11420 1 17 . 1 1 77 77 PRO CB C 77 31.722 31.722 31.979 -0.257 25125
11421 1 17 . 1 1 78 78 VAL N N 78 123.779 123.779 122.902 0.877 25125
11422 1 17 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.326 0.698 25125
11423 1 17 . 1 1 78 78 VAL C C 78 175.441 175.441 175.234 0.207 25125
11424 1 17 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.563 -0.370 25125
11425 1 17 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.456 -1.162 25125
11426 1 17 . 1 1 78 78 VAL H H 78 8.317 8.317 8.175 0.142 25125
11427 1 17 . 1 1 79 79 ILE N N 79 128.334 128.334 121.240 7.094 25125
11428 1 17 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.749 -0.268 25125
11429 1 17 . 1 1 79 79 ILE C C 79 174.479 174.479 174.564 -0.085 25125
11430 1 17 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.039 -0.517 25125
11431 1 17 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.859 -1.896 25125
11432 1 17 . 1 1 79 79 ILE H H 79 9.292 9.292 8.507 0.785 25125
11433 1 17 . 1 1 80 80 ILE N N 80 127.023 127.023 126.139 0.884 25125
11434 1 17 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.314 0.545 25125
11435 1 17 . 1 1 80 80 ILE C C 80 175.029 175.029 175.615 -0.586 25125
11436 1 17 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.509 -1.352 25125
11437 1 17 . 1 1 80 80 ILE CB C 80 37.944 37.944 37.319 0.625 25125
11438 1 17 . 1 1 80 80 ILE H H 80 7.938 7.938 8.679 -0.741 25125
11439 1 17 . 1 1 81 81 MET N N 81 127.255 127.255 128.670 -1.415 25125
11440 1 17 . 1 1 81 81 MET HA H 81 5.521 5.521 5.027 0.494 25125
11441 1 17 . 1 1 81 81 MET C C 81 174.534 174.534 174.950 -0.416 25125
11442 1 17 . 1 1 81 81 MET CA C 81 53.513 53.513 55.665 -2.152 25125
11443 1 17 . 1 1 81 81 MET CB C 81 35.483 35.483 34.463 1.020 25125
11444 1 17 . 1 1 81 81 MET H H 81 8.801 8.801 8.627 0.174 25125
11445 1 17 . 1 1 82 82 THR N N 82 112.857 112.857 120.848 -7.991 25125
11446 1 17 . 1 1 82 82 THR HA H 82 4.914 4.914 4.353 0.561 25125
11447 1 17 . 1 1 82 82 THR C C 82 172.581 172.581 173.190 -0.609 25125
11448 1 17 . 1 1 82 82 THR CA C 82 59.561 59.561 61.965 -2.405 25125
11449 1 17 . 1 1 82 82 THR CB C 82 69.989 69.989 69.356 0.633 25125
11450 1 17 . 1 1 82 82 THR H H 82 7.623 7.623 8.139 -0.516 25125
11451 1 17 . 1 1 83 83 ALA N N 83 129.541 129.541 122.880 6.661 25125
11452 1 17 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.756 0.952 25125
11453 1 17 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.354 -0.816 25125
11454 1 17 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.780 1.367 25125
11455 1 17 . 1 1 83 83 ALA H H 83 9.149 9.149 7.875 1.274 25125
11456 1 17 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.212 0.060 25125
11457 1 17 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.956 3.744 25125
11458 1 17 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.541 1.477 25125
11459 1 17 . 1 1 85 85 SER N N 85 112.633 112.633 115.711 -3.078 25125
11460 1 17 . 1 1 85 85 SER HA H 85 4.198 4.198 4.174 0.024 25125
11461 1 17 . 1 1 85 85 SER C C 85 174.506 174.506 176.029 -1.523 25125
11462 1 17 . 1 1 85 85 SER CA C 85 59.823 59.823 61.553 -1.730 25125
11463 1 17 . 1 1 85 85 SER CB C 85 62.693 62.693 62.669 0.024 25125
11464 1 17 . 1 1 85 85 SER H H 85 8.224 8.224 8.711 -0.487 25125
11465 1 17 . 1 1 86 86 ASP N N 86 120.886 120.886 121.933 -1.047 25125
11466 1 17 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.275 0.661 25125
11467 1 17 . 1 1 86 86 ASP C C 86 175.881 175.881 178.250 -2.369 25125
11468 1 17 . 1 1 86 86 ASP CA C 86 53.934 53.934 57.252 -3.318 25125
11469 1 17 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.431 1.572 25125
11470 1 17 . 1 1 86 86 ASP H H 86 7.608 7.608 7.931 -0.323 25125
11471 1 17 . 1 1 87 87 LEU N N 87 121.913 121.913 118.665 3.248 25125
11472 1 17 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.801 0.118 25125
11473 1 17 . 1 1 87 87 LEU C C 87 177.586 177.586 177.690 -0.104 25125
11474 1 17 . 1 1 87 87 LEU CA C 87 57.837 57.837 57.729 0.108 25125
11475 1 17 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.891 0.424 25125
11476 1 17 . 1 1 87 87 LEU H H 87 7.498 7.498 7.801 -0.303 25125
11477 1 17 . 1 1 88 88 ASP N N 88 117.621 117.621 118.493 -0.872 25125
11478 1 17 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.290 -0.018 25125
11479 1 17 . 1 1 88 88 ASP C C 88 178.246 178.246 177.442 0.804 25125
11480 1 17 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.343 -0.533 25125
11481 1 17 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.867 -0.733 25125
11482 1 17 . 1 1 88 88 ASP H H 88 8.322 8.322 7.966 0.356 25125
11483 1 17 . 1 1 89 89 ALA N N 89 122.874 122.874 119.937 2.937 25125
11484 1 17 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.355 -0.261 25125
11485 1 17 . 1 1 89 89 ALA C C 89 179.346 179.346 178.805 0.541 25125
11486 1 17 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.164 -0.011 25125
11487 1 17 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.780 -0.520 25125
11488 1 17 . 1 1 89 89 ALA H H 89 7.838 7.838 7.229 0.609 25125
11489 1 17 . 1 1 90 90 ALA N N 90 121.673 121.673 121.890 -0.217 25125
11490 1 17 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.412 -0.479 25125
11491 1 17 . 1 1 90 90 ALA C C 90 178.686 178.686 179.606 -0.920 25125
11492 1 17 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.164 0.499 25125
11493 1 17 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.354 0.028 25125
11494 1 17 . 1 1 90 90 ALA H H 90 7.896 7.896 7.441 0.455 25125
11495 1 17 . 1 1 91 91 VAL N N 91 117.749 117.749 118.332 -0.583 25125
11496 1 17 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.018 -0.406 25125
11497 1 17 . 1 1 91 91 VAL C C 91 178.411 178.411 177.355 1.056 25125
11498 1 17 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.834 -1.653 25125
11499 1 17 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.600 0.037 25125
11500 1 17 . 1 1 91 91 VAL H H 91 8.098 8.098 8.593 -0.495 25125
11501 1 17 . 1 1 92 92 SER N N 92 114.942 114.942 113.668 1.274 25125
11502 1 17 . 1 1 92 92 SER HA H 92 4.231 4.231 4.479 -0.248 25125
11503 1 17 . 1 1 92 92 SER C C 92 175.826 175.826 175.454 0.372 25125
11504 1 17 . 1 1 92 92 SER CA C 92 60.649 60.649 59.811 0.838 25125
11505 1 17 . 1 1 92 92 SER CB C 92 63.063 63.063 64.430 -1.367 25125
11506 1 17 . 1 1 92 92 SER H H 92 7.825 7.825 8.163 -0.338 25125
11507 1 17 . 1 1 93 93 ALA N N 93 122.580 122.580 123.322 -0.742 25125
11508 1 17 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.249 -0.192 25125
11509 1 17 . 1 1 93 93 ALA C C 93 178.906 178.906 179.463 -0.557 25125
11510 1 17 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.561 -0.244 25125
11511 1 17 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.704 -0.407 25125
11512 1 17 . 1 1 93 93 ALA H H 93 7.861 7.861 7.598 0.263 25125
11513 1 17 . 1 1 94 94 TYR N N 94 118.447 118.447 120.760 -2.313 25125
11514 1 17 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.268 0.224 25125
11515 1 17 . 1 1 94 94 TYR C C 94 177.393 177.393 177.496 -0.103 25125
11516 1 17 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.008 -0.757 25125
11517 1 17 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.392 0.042 25125
11518 1 17 . 1 1 94 94 TYR H H 94 8.150 8.150 7.911 0.239 25125
11519 1 17 . 1 1 95 95 GLN N N 95 119.787 119.787 115.855 3.932 25125
11520 1 17 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.036 0.007 25125
11521 1 17 . 1 1 95 95 GLN C C 95 176.981 176.981 176.572 0.409 25125
11522 1 17 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.952 0.514 25125
11523 1 17 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.767 0.322 25125
11524 1 17 . 1 1 95 95 GLN H H 95 8.271 8.271 7.978 0.293 25125
11525 1 17 . 1 1 96 96 GLN N N 96 117.878 117.878 118.566 -0.688 25125
11526 1 17 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.231 0.114 25125
11527 1 17 . 1 1 96 96 GLN C C 96 175.854 175.854 175.975 -0.121 25125
11528 1 17 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.359 -0.188 25125
11529 1 17 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.308 0.167 25125
11530 1 17 . 1 1 96 96 GLN H H 96 7.944 7.944 7.799 0.145 25125
11531 1 17 . 1 1 97 97 GLY N N 97 106.670 106.670 105.398 1.272 25125
11532 1 17 . 1 1 97 97 GLY C C 97 174.231 174.231 173.029 1.202 25125
11533 1 17 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.755 0.730 25125
11534 1 17 . 1 1 97 97 GLY H H 97 7.949 7.949 7.900 0.049 25125
11535 1 17 . 1 1 98 98 ALA N N 98 122.898 122.898 120.587 2.311 25125
11536 1 17 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.397 -0.022 25125
11537 1 17 . 1 1 98 98 ALA C C 98 175.991 175.991 175.647 0.344 25125
11538 1 17 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.029 2.139 25125
11539 1 17 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.347 -1.378 25125
11540 1 17 . 1 1 98 98 ALA H H 98 7.808 7.808 7.122 0.686 25125
11541 1 17 . 1 1 99 99 PHE N N 99 123.484 123.484 119.252 4.232 25125
11542 1 17 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.430 -0.080 25125
11543 1 17 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.677 1.779 25125
11544 1 17 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.116 -0.676 25125
11545 1 17 . 1 1 99 99 PHE H H 99 7.704 7.704 8.261 -0.557 25125
11546 1 17 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.876 0.628 25125
11547 1 17 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.955 -1.473 25125
11548 1 17 . 1 1 100 100 ASP CB C 100 44.200 44.200 39.950 4.250 25125
11549 1 17 . 1 1 101 101 TYR N N 101 118.148 118.148 121.427 -3.279 25125
11550 1 17 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.455 0.993 25125
11551 1 17 . 1 1 101 101 TYR C C 101 173.159 173.159 174.618 -1.459 25125
11552 1 17 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.174 -0.187 25125
11553 1 17 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.779 3.119 25125
11554 1 17 . 1 1 101 101 TYR H H 101 9.546 9.546 7.394 2.152 25125
11555 1 17 . 1 1 102 102 LEU N N 102 124.100 124.100 120.545 3.555 25125
11556 1 17 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.035 -0.315 25125
11557 1 17 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.198 -0.699 25125
11558 1 17 . 1 1 102 102 LEU CB C 102 45.061 45.061 44.182 0.879 25125
11559 1 17 . 1 1 102 102 LEU H H 102 8.901 8.901 8.196 0.705 25125
11560 1 17 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.617 0.276 25125
11561 1 17 . 1 1 103 103 PRO C C 103 175.524 175.524 175.760 -0.236 25125
11562 1 17 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.487 -0.602 25125
11563 1 17 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.919 -1.112 25125
11564 1 17 . 1 1 104 104 LYS N N 104 118.848 118.848 120.393 -1.545 25125
11565 1 17 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.910 -0.397 25125
11566 1 17 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.189 0.029 25125
11567 1 17 . 1 1 104 104 LYS CB C 104 34.744 34.744 31.905 2.839 25125
11568 1 17 . 1 1 104 104 LYS H H 104 8.279 8.279 8.120 0.159 25125
11569 1 17 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.486 -0.187 25125
11570 1 17 . 1 1 105 105 PRO C C 105 175.001 175.001 175.778 -0.777 25125
11571 1 17 . 1 1 105 105 PRO CA C 105 62.394 62.394 63.018 -0.624 25125
11572 1 17 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.199 1.896 25125
11573 1 17 . 1 1 106 106 PHE N N 106 116.607 116.607 115.536 1.071 25125
11574 1 17 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.761 0.409 25125
11575 1 17 . 1 1 106 106 PHE C C 106 175.221 175.221 174.426 0.795 25125
11576 1 17 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.783 -2.348 25125
11577 1 17 . 1 1 106 106 PHE CB C 106 40.400 40.400 41.210 -0.810 25125
11578 1 17 . 1 1 106 106 PHE H H 106 7.457 7.457 7.571 -0.114 25125
11579 1 17 . 1 1 107 107 ASP N N 107 122.214 122.214 124.159 -1.945 25125
11580 1 17 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.801 0.031 25125
11581 1 17 . 1 1 107 107 ASP C C 107 177.778 177.778 177.193 0.585 25125
11582 1 17 . 1 1 107 107 ASP CA C 107 53.242 53.242 54.245 -1.003 25125
11583 1 17 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.184 1.413 25125
11584 1 17 . 1 1 107 107 ASP H H 107 9.022 9.022 8.704 0.318 25125
11585 1 17 . 1 1 108 108 ILE N N 108 127.706 127.706 125.974 1.732 25125
11586 1 17 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.757 0.208 25125
11587 1 17 . 1 1 108 108 ILE C C 108 176.046 176.046 177.553 -1.507 25125
11588 1 17 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.124 -2.135 25125
11589 1 17 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.081 -0.327 25125
11590 1 17 . 1 1 108 108 ILE H H 108 8.860 8.860 8.605 0.255 25125
11591 1 17 . 1 1 109 109 ASP N N 109 120.058 120.058 119.032 1.026 25125
11592 1 17 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.405 -0.017 25125
11593 1 17 . 1 1 109 109 ASP C C 109 179.786 179.786 178.924 0.862 25125
11594 1 17 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.784 -0.290 25125
11595 1 17 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.505 -0.451 25125
11596 1 17 . 1 1 109 109 ASP H H 109 8.079 8.079 8.634 -0.555 25125
11597 1 17 . 1 1 110 110 GLU N N 110 121.559 121.559 119.462 2.097 25125
11598 1 17 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.218 -0.150 25125
11599 1 17 . 1 1 110 110 GLU C C 110 179.043 179.043 178.545 0.498 25125
11600 1 17 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.406 0.420 25125
11601 1 17 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.075 -0.731 25125
11602 1 17 . 1 1 110 110 GLU H H 110 8.012 8.012 7.991 0.021 25125
11603 1 17 . 1 1 111 111 ALA N N 111 122.267 122.267 123.688 -1.421 25125
11604 1 17 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.094 -0.340 25125
11605 1 17 . 1 1 111 111 ALA C C 111 178.493 178.493 179.602 -1.109 25125
11606 1 17 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.486 -0.314 25125
11607 1 17 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.418 -0.036 25125
11608 1 17 . 1 1 111 111 ALA H H 111 7.897 7.897 8.489 -0.592 25125
11609 1 17 . 1 1 112 112 VAL N N 112 116.527 116.527 118.160 -1.633 25125
11610 1 17 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.577 -0.410 25125
11611 1 17 . 1 1 112 112 VAL C C 112 177.201 177.201 177.831 -0.630 25125
11612 1 17 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.756 0.389 25125
11613 1 17 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.318 0.234 25125
11614 1 17 . 1 1 112 112 VAL H H 112 8.018 8.018 8.294 -0.276 25125
11615 1 17 . 1 1 113 113 ALA N N 113 119.895 119.895 121.122 -1.227 25125
11616 1 17 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.238 -0.100 25125
11617 1 17 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.478 0.354 25125
11618 1 17 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.572 -0.700 25125
11619 1 17 . 1 1 113 113 ALA H H 113 7.673 7.673 7.446 0.227 25125
11620 1 17 . 1 1 114 114 LEU N N 114 120.650 120.650 120.606 0.044 25125
11621 1 17 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.108 -0.025 25125
11622 1 17 . 1 1 114 114 LEU C C 114 178.466 178.466 178.568 -0.102 25125
11623 1 17 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.770 0.250 25125
11624 1 17 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.075 -0.242 25125
11625 1 17 . 1 1 114 114 LEU H H 114 7.840 7.840 7.839 0.001 25125
11626 1 17 . 1 1 115 115 VAL N N 115 119.480 119.480 118.225 1.255 25125
11627 1 17 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.445 -0.233 25125
11628 1 17 . 1 1 115 115 VAL C C 115 177.448 177.448 176.976 0.472 25125
11629 1 17 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.054 1.147 25125
11630 1 17 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.946 -1.274 25125
11631 1 17 . 1 1 115 115 VAL H H 115 7.824 7.824 8.003 -0.179 25125
11632 1 17 . 1 1 116 116 GLU N N 116 117.473 117.473 119.419 -1.946 25125
11633 1 17 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.944 -0.155 25125
11634 1 17 . 1 1 116 116 GLU C C 116 179.566 179.566 178.665 0.901 25125
11635 1 17 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.368 0.562 25125
11636 1 17 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.403 -0.307 25125
11637 1 17 . 1 1 116 116 GLU H H 116 8.465 8.465 7.576 0.889 25125
11638 1 17 . 1 1 117 117 ARG N N 117 120.128 120.128 119.193 0.935 25125
11639 1 17 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.095 -0.031 25125
11640 1 17 . 1 1 117 117 ARG C C 117 178.438 178.438 177.288 1.150 25125
11641 1 17 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.948 0.330 25125
11642 1 17 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.103 0.174 25125
11643 1 17 . 1 1 117 117 ARG H H 117 8.012 8.012 7.717 0.295 25125
11644 1 17 . 1 1 118 118 ALA N N 118 122.270 122.270 120.261 2.009 25125
11645 1 17 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.957 -0.501 25125
11646 1 17 . 1 1 118 118 ALA C C 118 178.741 178.741 178.597 0.144 25125
11647 1 17 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.758 0.820 25125
11648 1 17 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.978 -0.820 25125
11649 1 17 . 1 1 118 118 ALA H H 118 7.958 7.958 7.119 0.839 25125
11650 1 17 . 1 1 119 119 ILE N N 119 115.269 115.269 118.142 -2.873 25125
11651 1 17 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.842 -0.114 25125
11652 1 17 . 1 1 119 119 ILE C C 119 177.366 177.366 178.206 -0.840 25125
11653 1 17 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.968 -1.299 25125
11654 1 17 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.271 -0.473 25125
11655 1 17 . 1 1 119 119 ILE H H 119 7.753 7.753 7.650 0.103 25125
11656 1 17 . 1 1 120 120 SER N N 120 115.135 115.135 115.010 0.125 25125
11657 1 17 . 1 1 120 120 SER HA H 120 4.275 4.275 4.136 0.139 25125
11658 1 17 . 1 1 120 120 SER C C 120 175.084 175.084 175.512 -0.428 25125
11659 1 17 . 1 1 120 120 SER CA C 120 59.816 59.816 60.939 -1.123 25125
11660 1 17 . 1 1 120 120 SER CB C 120 63.380 63.380 62.969 0.411 25125
11661 1 17 . 1 1 120 120 SER H H 120 7.816 7.816 8.189 -0.373 25125
11662 1 17 . 1 1 121 121 HIS N N 121 119.908 119.908 117.481 2.427 25125
11663 1 17 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.171 0.251 25125
11664 1 17 . 1 1 121 121 HIS C C 121 175.029 175.029 175.722 -0.693 25125
11665 1 17 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.490 -1.254 25125
11666 1 17 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.591 -0.163 25125
11667 1 17 . 1 1 121 121 HIS H H 121 7.910 7.910 7.709 0.201 25125
11668 1 17 . 1 1 122 122 TYR N N 122 118.880 118.880 116.896 1.984 25125
11669 1 17 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.499 -0.073 25125
11670 1 17 . 1 1 122 122 TYR C C 122 175.276 175.276 177.491 -2.215 25125
11671 1 17 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.863 -0.414 25125
11672 1 17 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.596 0.008 25125
11673 1 17 . 1 1 122 122 TYR H H 122 7.766 7.766 7.907 -0.141 25125
11674 1 17 . 1 1 123 123 GLN N N 123 121.479 121.479 119.125 2.354 25125
11675 1 17 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.178 0.092 25125
11676 1 17 . 1 1 123 123 GLN C C 123 174.534 174.534 175.969 -1.435 25125
11677 1 17 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.715 -2.203 25125
11678 1 17 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.250 0.518 25125
11679 1 17 . 1 1 123 123 GLN H H 123 7.878 7.878 8.070 -0.192 25125
11680 1 18 . 1 1 2 2 GLN HA H 2 4.433 4.433 3.846 0.587 25125
11681 1 18 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.774 -1.210 25125
11682 1 18 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.224 2.376 25125
11683 1 18 . 1 1 3 3 ARG N N 3 121.252 121.252 116.991 4.261 25125
11684 1 18 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.132 0.233 25125
11685 1 18 . 1 1 3 3 ARG C C 3 175.634 175.634 176.049 -0.415 25125
11686 1 18 . 1 1 3 3 ARG CA C 3 55.991 55.991 57.005 -1.014 25125
11687 1 18 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.074 1.223 25125
11688 1 18 . 1 1 3 3 ARG H H 3 8.429 8.429 8.160 0.269 25125
11689 1 18 . 1 1 4 4 GLY N N 4 107.663 107.663 107.730 -0.067 25125
11690 1 18 . 1 1 4 4 GLY C C 4 171.041 171.041 173.272 -2.231 25125
11691 1 18 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.398 0.918 25125
11692 1 18 . 1 1 4 4 GLY H H 4 7.963 7.963 7.654 0.309 25125
11693 1 18 . 1 1 5 5 ILE N N 5 122.603 122.603 126.361 -3.758 25125
11694 1 18 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.026 0.673 25125
11695 1 18 . 1 1 5 5 ILE C C 5 175.359 175.359 174.827 0.532 25125
11696 1 18 . 1 1 5 5 ILE CA C 5 60.610 60.610 62.048 -1.438 25125
11697 1 18 . 1 1 5 5 ILE CB C 5 39.576 39.576 38.827 0.749 25125
11698 1 18 . 1 1 5 5 ILE H H 5 9.610 9.610 7.869 1.741 25125
11699 1 18 . 1 1 6 6 VAL N N 6 127.905 127.905 126.690 1.215 25125
11700 1 18 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.960 -0.148 25125
11701 1 18 . 1 1 6 6 VAL C C 6 174.204 174.204 175.466 -1.262 25125
11702 1 18 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.287 -0.728 25125
11703 1 18 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.774 0.752 25125
11704 1 18 . 1 1 6 6 VAL H H 6 9.090 9.090 7.849 1.241 25125
11705 1 18 . 1 1 7 7 TRP N N 7 127.467 127.467 128.332 -0.865 25125
11706 1 18 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.120 1.334 25125
11707 1 18 . 1 1 7 7 TRP C C 7 175.056 175.056 175.307 -0.251 25125
11708 1 18 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.777 -1.899 25125
11709 1 18 . 1 1 7 7 TRP CB C 7 33.134 33.134 30.923 2.211 25125
11710 1 18 . 1 1 7 7 TRP H H 7 8.497 8.497 8.196 0.301 25125
11711 1 18 . 1 1 8 8 VAL N N 8 122.068 122.068 122.057 0.011 25125
11712 1 18 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.656 0.430 25125
11713 1 18 . 1 1 8 8 VAL C C 8 173.874 173.874 174.412 -0.538 25125
11714 1 18 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.868 -0.382 25125
11715 1 18 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.315 1.400 25125
11716 1 18 . 1 1 8 8 VAL H H 8 8.583 8.583 9.006 -0.423 25125
11717 1 18 . 1 1 9 9 VAL N N 9 127.733 127.733 122.463 5.270 25125
11718 1 18 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.292 0.669 25125
11719 1 18 . 1 1 9 9 VAL C C 9 173.131 173.131 173.341 -0.210 25125
11720 1 18 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.205 -1.530 25125
11721 1 18 . 1 1 9 9 VAL CB C 9 32.911 32.911 33.960 -1.049 25125
11722 1 18 . 1 1 9 9 VAL H H 9 9.107 9.107 8.488 0.619 25125
11723 1 18 . 1 1 10 10 ASP N N 10 124.306 124.306 126.469 -2.163 25125
11724 1 18 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.822 -0.253 25125
11725 1 18 . 1 1 10 10 ASP C C 10 175.029 175.029 174.810 0.219 25125
11726 1 18 . 1 1 10 10 ASP CA C 10 54.747 54.747 55.844 -1.097 25125
11727 1 18 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.053 2.056 25125
11728 1 18 . 1 1 10 10 ASP H H 10 7.775 7.775 8.275 -0.500 25125
11729 1 18 . 1 1 11 11 ASP N N 11 126.714 126.714 116.490 10.224 25125
11730 1 18 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.826 -0.291 25125
11731 1 18 . 1 1 11 11 ASP C C 11 175.689 175.689 174.603 1.086 25125
11732 1 18 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.460 1.258 25125
11733 1 18 . 1 1 11 11 ASP CB C 11 42.074 42.074 43.016 -0.942 25125
11734 1 18 . 1 1 11 11 ASP H H 11 9.033 9.033 8.308 0.725 25125
11735 1 18 . 1 1 12 12 ASP N N 12 121.877 121.877 120.637 1.240 25125
11736 1 18 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.903 -0.257 25125
11737 1 18 . 1 1 12 12 ASP C C 12 177.036 177.036 176.891 0.145 25125
11738 1 18 . 1 1 12 12 ASP CA C 12 53.303 53.303 54.049 -0.746 25125
11739 1 18 . 1 1 12 12 ASP CB C 12 41.164 41.164 42.806 -1.642 25125
11740 1 18 . 1 1 12 12 ASP H H 12 9.570 9.570 7.974 1.596 25125
11741 1 18 . 1 1 13 13 SER N N 13 123.799 123.799 118.062 5.737 25125
11742 1 18 . 1 1 13 13 SER HA H 13 3.761 3.761 4.375 -0.614 25125
11743 1 18 . 1 1 13 13 SER C C 13 176.156 176.156 176.214 -0.058 25125
11744 1 18 . 1 1 13 13 SER CA C 13 61.186 61.186 61.273 -0.087 25125
11745 1 18 . 1 1 13 13 SER CB C 13 62.749 62.749 63.534 -0.785 25125
11746 1 18 . 1 1 13 13 SER H H 13 8.850 8.850 8.877 -0.027 25125
11747 1 18 . 1 1 14 14 SER N N 14 119.123 119.123 117.417 1.706 25125
11748 1 18 . 1 1 14 14 SER HA H 14 4.361 4.361 4.382 -0.021 25125
11749 1 18 . 1 1 14 14 SER C C 14 176.404 176.404 176.791 -0.387 25125
11750 1 18 . 1 1 14 14 SER CA C 14 61.730 61.730 61.008 0.722 25125
11751 1 18 . 1 1 14 14 SER CB C 14 62.548 62.548 63.052 -0.504 25125
11752 1 18 . 1 1 14 14 SER H H 14 8.531 8.531 8.632 -0.101 25125
11753 1 18 . 1 1 15 15 ILE N N 15 123.637 123.637 121.340 2.297 25125
11754 1 18 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.997 -0.052 25125
11755 1 18 . 1 1 15 15 ILE C C 15 177.861 177.861 177.779 0.082 25125
11756 1 18 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.161 -1.962 25125
11757 1 18 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.136 -1.250 25125
11758 1 18 . 1 1 15 15 ILE H H 15 7.206 7.206 8.034 -0.828 25125
11759 1 18 . 1 1 16 16 ARG N N 16 116.694 116.694 118.719 -2.025 25125
11760 1 18 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.221 -0.498 25125
11761 1 18 . 1 1 16 16 ARG C C 16 177.448 177.448 178.042 -0.594 25125
11762 1 18 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.770 2.803 25125
11763 1 18 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.688 0.759 25125
11764 1 18 . 1 1 16 16 ARG H H 16 7.562 7.562 7.402 0.160 25125
11765 1 18 . 1 1 17 17 TRP N N 17 116.848 116.848 123.573 -6.725 25125
11766 1 18 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.489 -0.018 25125
11767 1 18 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.087 -0.647 25125
11768 1 18 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.724 -0.432 25125
11769 1 18 . 1 1 17 17 TRP H H 17 8.005 8.005 8.249 -0.244 25125
11770 1 18 . 1 1 18 18 VAL N N 18 116.964 116.964 116.809 0.155 25125
11771 1 18 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.929 0.746 25125
11772 1 18 . 1 1 18 18 VAL C C 18 179.181 179.181 177.310 1.871 25125
11773 1 18 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.809 -0.101 25125
11774 1 18 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.120 0.517 25125
11775 1 18 . 1 1 18 18 VAL H H 18 8.110 8.110 7.765 0.345 25125
11776 1 18 . 1 1 19 19 LEU N N 19 120.186 120.186 118.936 1.250 25125
11777 1 18 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.153 -0.078 25125
11778 1 18 . 1 1 19 19 LEU C C 19 177.778 177.778 178.820 -1.042 25125
11779 1 18 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.118 0.704 25125
11780 1 18 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.827 -0.046 25125
11781 1 18 . 1 1 19 19 LEU H H 19 8.073 8.073 7.534 0.539 25125
11782 1 18 . 1 1 20 20 GLU N N 20 120.193 120.193 120.467 -0.274 25125
11783 1 18 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.888 0.053 25125
11784 1 18 . 1 1 20 20 GLU C C 20 178.603 178.603 178.929 -0.326 25125
11785 1 18 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.926 0.684 25125
11786 1 18 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.783 -0.695 25125
11787 1 18 . 1 1 20 20 GLU H H 20 8.387 8.387 8.254 0.133 25125
11788 1 18 . 1 1 21 21 ARG N N 21 116.076 116.076 116.738 -0.662 25125
11789 1 18 . 1 1 21 21 ARG HA H 21 3.893 3.893 4.048 -0.155 25125
11790 1 18 . 1 1 21 21 ARG C C 21 179.676 179.676 178.008 1.668 25125
11791 1 18 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.709 -0.260 25125
11792 1 18 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.240 0.613 25125
11793 1 18 . 1 1 21 21 ARG H H 21 7.602 7.602 8.320 -0.718 25125
11794 1 18 . 1 1 22 22 ALA N N 22 122.405 122.405 122.818 -0.413 25125
11795 1 18 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.095 0.002 25125
11796 1 18 . 1 1 22 22 ALA C C 22 180.501 180.501 178.837 1.664 25125
11797 1 18 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.287 0.291 25125
11798 1 18 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.209 1.023 25125
11799 1 18 . 1 1 22 22 ALA H H 22 7.992 7.992 7.420 0.572 25125
11800 1 18 . 1 1 23 23 LEU N N 23 118.026 118.026 117.798 0.228 25125
11801 1 18 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.239 -0.238 25125
11802 1 18 . 1 1 23 23 LEU C C 23 178.878 178.878 179.083 -0.205 25125
11803 1 18 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.829 0.892 25125
11804 1 18 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.025 -2.370 25125
11805 1 18 . 1 1 23 23 LEU H H 23 8.825 8.825 7.581 1.244 25125
11806 1 18 . 1 1 24 24 ALA N N 24 122.159 122.159 122.479 -0.320 25125
11807 1 18 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.986 0.647 25125
11808 1 18 . 1 1 24 24 ALA C C 24 183.141 183.141 179.381 3.760 25125
11809 1 18 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.858 -0.111 25125
11810 1 18 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.400 -0.698 25125
11811 1 18 . 1 1 24 24 ALA H H 24 8.125 8.125 7.807 0.318 25125
11812 1 18 . 1 1 25 25 GLY N N 25 106.891 106.891 103.831 3.060 25125
11813 1 18 . 1 1 25 25 GLY C C 25 174.286 174.286 174.573 -0.287 25125
11814 1 18 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.150 1.271 25125
11815 1 18 . 1 1 25 25 GLY H H 25 7.870 7.870 7.762 0.108 25125
11816 1 18 . 1 1 26 26 ALA N N 26 121.819 121.819 123.192 -1.373 25125
11817 1 18 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.369 0.130 25125
11818 1 18 . 1 1 26 26 ALA C C 26 176.953 176.953 176.937 0.016 25125
11819 1 18 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.893 -0.374 25125
11820 1 18 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.382 -1.660 25125
11821 1 18 . 1 1 26 26 ALA H H 26 7.285 7.285 7.498 -0.213 25125
11822 1 18 . 1 1 27 27 GLY N N 27 106.197 106.197 106.259 -0.062 25125
11823 1 18 . 1 1 27 27 GLY C C 27 173.956 173.956 173.267 0.689 25125
11824 1 18 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.137 0.179 25125
11825 1 18 . 1 1 27 27 GLY H H 27 7.824 7.824 7.989 -0.165 25125
11826 1 18 . 1 1 28 28 LEU N N 28 120.291 120.291 117.654 2.637 25125
11827 1 18 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.805 -0.230 25125
11828 1 18 . 1 1 28 28 LEU C C 28 175.881 175.881 176.477 -0.596 25125
11829 1 18 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.498 1.145 25125
11830 1 18 . 1 1 28 28 LEU CB C 28 42.485 42.485 43.807 -1.322 25125
11831 1 18 . 1 1 28 28 LEU H H 28 7.678 7.678 7.557 0.121 25125
11832 1 18 . 1 1 29 29 THR N N 29 118.040 118.040 117.577 0.463 25125
11833 1 18 . 1 1 29 29 THR HA H 29 4.335 4.335 4.191 0.144 25125
11834 1 18 . 1 1 29 29 THR C C 29 173.186 173.186 173.907 -0.721 25125
11835 1 18 . 1 1 29 29 THR CA C 29 62.479 62.479 64.216 -1.736 25125
11836 1 18 . 1 1 29 29 THR CB C 29 69.465 69.465 69.400 0.065 25125
11837 1 18 . 1 1 29 29 THR H H 29 8.527 8.527 8.527 0.000 25125
11838 1 18 . 1 1 30 30 CYS N N 30 128.387 128.387 121.271 7.116 25125
11839 1 18 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.487 0.456 25125
11840 1 18 . 1 1 30 30 CYS C C 30 173.846 173.846 174.003 -0.157 25125
11841 1 18 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.774 -0.412 25125
11842 1 18 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.729 -1.249 25125
11843 1 18 . 1 1 30 30 CYS H H 30 8.968 8.968 8.361 0.607 25125
11844 1 18 . 1 1 31 31 THR N N 31 126.481 126.481 123.310 3.171 25125
11845 1 18 . 1 1 31 31 THR HA H 31 4.433 4.433 4.485 -0.052 25125
11846 1 18 . 1 1 31 31 THR C C 31 172.609 172.609 173.710 -1.101 25125
11847 1 18 . 1 1 31 31 THR CA C 31 61.951 61.951 61.971 -0.020 25125
11848 1 18 . 1 1 31 31 THR CB C 31 70.567 70.567 70.403 0.164 25125
11849 1 18 . 1 1 31 31 THR H H 31 8.614 8.614 8.435 0.179 25125
11850 1 18 . 1 1 32 32 THR N N 32 116.418 116.418 118.539 -2.121 25125
11851 1 18 . 1 1 32 32 THR HA H 32 5.330 5.330 5.139 0.191 25125
11852 1 18 . 1 1 32 32 THR C C 32 172.306 172.306 173.231 -0.925 25125
11853 1 18 . 1 1 32 32 THR CA C 32 59.173 59.173 60.366 -1.193 25125
11854 1 18 . 1 1 32 32 THR CB C 32 70.917 70.917 70.056 0.861 25125
11855 1 18 . 1 1 32 32 THR H H 32 8.299 8.299 8.325 -0.026 25125
11856 1 18 . 1 1 33 33 PHE N N 33 118.067 118.067 125.071 -7.004 25125
11857 1 18 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.542 0.101 25125
11858 1 18 . 1 1 33 33 PHE C C 33 174.341 174.341 175.827 -1.486 25125
11859 1 18 . 1 1 33 33 PHE CA C 33 56.532 56.532 59.175 -2.643 25125
11860 1 18 . 1 1 33 33 PHE CB C 33 43.309 43.309 40.358 2.951 25125
11861 1 18 . 1 1 33 33 PHE H H 33 8.890 8.890 8.578 0.312 25125
11862 1 18 . 1 1 34 34 GLU N N 34 118.499 118.499 110.845 7.654 25125
11863 1 18 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.293 0.061 25125
11864 1 18 . 1 1 34 34 GLU C C 34 175.414 175.414 174.610 0.804 25125
11865 1 18 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.703 -0.011 25125
11866 1 18 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.276 1.191 25125
11867 1 18 . 1 1 34 34 GLU H H 34 9.023 9.023 8.552 0.471 25125
11868 1 18 . 1 1 35 35 ASN N N 35 109.907 109.907 118.133 -8.226 25125
11869 1 18 . 1 1 35 35 ASN HA H 35 4.781 4.781 5.048 -0.267 25125
11870 1 18 . 1 1 35 35 ASN C C 35 175.139 175.139 176.765 -1.626 25125
11871 1 18 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.419 -0.273 25125
11872 1 18 . 1 1 35 35 ASN CB C 35 41.323 41.323 41.615 -0.292 25125
11873 1 18 . 1 1 35 35 ASN H H 35 7.401 7.401 7.925 -0.524 25125
11874 1 18 . 1 1 36 36 GLY N N 36 106.739 106.739 110.481 -3.742 25125
11875 1 18 . 1 1 36 36 GLY C C 36 174.616 174.616 175.252 -0.636 25125
11876 1 18 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.273 -0.257 25125
11877 1 18 . 1 1 36 36 GLY H H 36 8.877 8.877 8.690 0.187 25125
11878 1 18 . 1 1 37 37 ASN N N 37 120.462 120.462 118.185 2.277 25125
11879 1 18 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.493 -0.131 25125
11880 1 18 . 1 1 37 37 ASN C C 37 178.686 178.686 176.848 1.838 25125
11881 1 18 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.277 1.255 25125
11882 1 18 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.171 -0.587 25125
11883 1 18 . 1 1 37 37 ASN H H 37 8.366 8.366 8.419 -0.053 25125
11884 1 18 . 1 1 38 38 GLU N N 38 119.360 119.360 117.823 1.537 25125
11885 1 18 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.241 -0.171 25125
11886 1 18 . 1 1 38 38 GLU C C 38 179.263 179.263 177.621 1.642 25125
11887 1 18 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.339 1.293 25125
11888 1 18 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.431 1.101 25125
11889 1 18 . 1 1 38 38 GLU H H 38 7.990 7.990 7.681 0.309 25125
11890 1 18 . 1 1 39 39 VAL N N 39 119.259 119.259 118.961 0.298 25125
11891 1 18 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.270 -0.502 25125
11892 1 18 . 1 1 39 39 VAL C C 39 176.431 176.431 177.368 -0.937 25125
11893 1 18 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.366 1.577 25125
11894 1 18 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.616 -0.541 25125
11895 1 18 . 1 1 39 39 VAL H H 39 6.883 6.883 7.721 -0.838 25125
11896 1 18 . 1 1 40 40 LEU N N 40 119.627 119.627 121.656 -2.029 25125
11897 1 18 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.015 -0.088 25125
11898 1 18 . 1 1 40 40 LEU C C 40 179.538 179.538 178.135 1.403 25125
11899 1 18 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.300 -0.360 25125
11900 1 18 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.213 -0.145 25125
11901 1 18 . 1 1 40 40 LEU H H 40 7.692 7.692 7.764 -0.072 25125
11902 1 18 . 1 1 41 41 ALA N N 41 120.051 120.051 120.273 -0.222 25125
11903 1 18 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.180 -0.040 25125
11904 1 18 . 1 1 41 41 ALA C C 41 180.528 180.528 178.493 2.035 25125
11905 1 18 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.331 0.319 25125
11906 1 18 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.031 -0.165 25125
11907 1 18 . 1 1 41 41 ALA H H 41 7.553 7.553 7.780 -0.227 25125
11908 1 18 . 1 1 42 42 ALA N N 42 122.731 122.731 121.072 1.659 25125
11909 1 18 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.204 -0.005 25125
11910 1 18 . 1 1 42 42 ALA C C 42 180.198 180.198 180.354 -0.156 25125
11911 1 18 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.417 0.615 25125
11912 1 18 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.262 1.137 25125
11913 1 18 . 1 1 42 42 ALA H H 42 7.604 7.604 7.105 0.499 25125
11914 1 18 . 1 1 43 43 LEU N N 43 119.131 119.131 119.176 -0.045 25125
11915 1 18 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.037 1.169 25125
11916 1 18 . 1 1 43 43 LEU C C 43 177.421 177.421 178.839 -1.418 25125
11917 1 18 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.468 -1.923 25125
11918 1 18 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.184 1.421 25125
11919 1 18 . 1 1 43 43 LEU H H 43 8.288 8.288 8.324 -0.036 25125
11920 1 18 . 1 1 44 44 ALA N N 44 119.065 119.065 117.138 1.927 25125
11921 1 18 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.184 0.045 25125
11922 1 18 . 1 1 44 44 ALA C C 44 178.686 178.686 178.252 0.434 25125
11923 1 18 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.808 0.430 25125
11924 1 18 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.319 0.198 25125
11925 1 18 . 1 1 44 44 ALA H H 44 7.302 7.302 7.870 -0.568 25125
11926 1 18 . 1 1 45 45 SER N N 45 108.656 108.656 114.666 -6.010 25125
11927 1 18 . 1 1 45 45 SER HA H 45 4.742 4.742 4.410 0.332 25125
11928 1 18 . 1 1 45 45 SER C C 45 173.296 173.296 175.940 -2.644 25125
11929 1 18 . 1 1 45 45 SER CA C 45 58.656 58.656 61.085 -2.429 25125
11930 1 18 . 1 1 45 45 SER CB C 45 65.407 65.407 63.877 1.530 25125
11931 1 18 . 1 1 45 45 SER H H 45 7.728 7.728 8.112 -0.384 25125
11932 1 18 . 1 1 46 46 LYS N N 46 123.016 123.016 116.719 6.297 25125
11933 1 18 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.654 -0.068 25125
11934 1 18 . 1 1 46 46 LYS C C 46 172.719 172.719 175.716 -2.997 25125
11935 1 18 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.331 -0.819 25125
11936 1 18 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.124 2.101 25125
11937 1 18 . 1 1 46 46 LYS H H 46 8.101 8.101 7.998 0.103 25125
11938 1 18 . 1 1 47 47 THR N N 47 111.780 111.780 112.680 -0.900 25125
11939 1 18 . 1 1 47 47 THR HA H 47 4.282 4.282 3.997 0.285 25125
11940 1 18 . 1 1 47 47 THR CA C 47 57.806 57.806 62.109 -4.303 25125
11941 1 18 . 1 1 47 47 THR CB C 47 70.594 70.594 67.558 3.035 25125
11942 1 18 . 1 1 47 47 THR H H 47 7.677 7.677 7.700 -0.023 25125
11943 1 18 . 1 1 48 48 PRO HA H 48 3.905 3.905 4.204 -0.299 25125
11944 1 18 . 1 1 48 48 PRO C C 48 172.966 172.966 175.555 -2.589 25125
11945 1 18 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.400 -1.535 25125
11946 1 18 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.959 -1.682 25125
11947 1 18 . 1 1 49 49 ASP N N 49 115.035 115.035 117.503 -2.468 25125
11948 1 18 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.813 -0.369 25125
11949 1 18 . 1 1 49 49 ASP C C 49 175.634 175.634 175.702 -0.068 25125
11950 1 18 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.312 2.135 25125
11951 1 18 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.105 -0.593 25125
11952 1 18 . 1 1 49 49 ASP H H 49 8.502 8.502 7.933 0.569 25125
11953 1 18 . 1 1 50 50 VAL N N 50 112.082 112.082 117.116 -5.034 25125
11954 1 18 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.661 -0.381 25125
11955 1 18 . 1 1 50 50 VAL C C 50 171.454 171.454 172.992 -1.538 25125
11956 1 18 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.355 -0.793 25125
11957 1 18 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.340 0.296 25125
11958 1 18 . 1 1 50 50 VAL H H 50 7.173 7.173 7.197 -0.024 25125
11959 1 18 . 1 1 51 51 LEU N N 51 128.247 128.247 125.545 2.702 25125
11960 1 18 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.133 0.186 25125
11961 1 18 . 1 1 51 51 LEU C C 51 173.104 173.104 175.017 -1.913 25125
11962 1 18 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.540 -0.322 25125
11963 1 18 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.689 -0.183 25125
11964 1 18 . 1 1 51 51 LEU H H 51 8.059 8.059 8.009 0.050 25125
11965 1 18 . 1 1 52 52 LEU N N 52 128.407 128.407 119.861 8.546 25125
11966 1 18 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.028 0.473 25125
11967 1 18 . 1 1 52 52 LEU C C 52 175.414 175.414 176.176 -0.762 25125
11968 1 18 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.283 0.040 25125
11969 1 18 . 1 1 52 52 LEU CB C 52 44.521 44.521 41.888 2.633 25125
11970 1 18 . 1 1 52 52 LEU H H 52 9.242 9.242 8.066 1.176 25125
11971 1 18 . 1 1 53 53 SER N N 53 114.946 114.946 116.544 -1.598 25125
11972 1 18 . 1 1 53 53 SER HA H 53 5.595 5.595 4.472 1.123 25125
11973 1 18 . 1 1 53 53 SER C C 53 174.644 174.644 174.142 0.502 25125
11974 1 18 . 1 1 53 53 SER CA C 53 55.954 55.954 58.991 -3.037 25125
11975 1 18 . 1 1 53 53 SER CB C 53 66.473 66.473 63.668 2.805 25125
11976 1 18 . 1 1 53 53 SER H H 53 8.695 8.695 7.979 0.716 25125
11977 1 18 . 1 1 54 54 ASP N N 54 128.341 128.341 122.080 6.261 25125
11978 1 18 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.068 0.257 25125
11979 1 18 . 1 1 54 54 ASP C C 54 176.816 176.816 175.678 1.138 25125
11980 1 18 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.212 1.281 25125
11981 1 18 . 1 1 54 54 ASP CB C 54 42.328 42.328 44.139 -1.811 25125
11982 1 18 . 1 1 54 54 ASP H H 54 7.886 7.886 7.932 -0.046 25125
11983 1 18 . 1 1 55 55 ILE N N 55 121.229 121.229 122.114 -0.885 25125
11984 1 18 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.314 -0.129 25125
11985 1 18 . 1 1 55 55 ILE C C 55 175.084 175.084 174.148 0.936 25125
11986 1 18 . 1 1 55 55 ILE CA C 55 61.542 61.542 60.698 0.844 25125
11987 1 18 . 1 1 55 55 ILE CB C 55 39.029 39.029 38.447 0.582 25125
11988 1 18 . 1 1 55 55 ILE H H 55 8.722 8.722 8.298 0.424 25125
11989 1 18 . 1 1 56 56 ARG N N 56 124.188 124.188 122.239 1.949 25125
11990 1 18 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.513 -0.008 25125
11991 1 18 . 1 1 56 56 ARG C C 56 175.661 175.661 174.609 1.052 25125
11992 1 18 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.086 -0.645 25125
11993 1 18 . 1 1 56 56 ARG CB C 56 30.362 30.362 29.586 0.776 25125
11994 1 18 . 1 1 56 56 ARG H H 56 8.499 8.499 8.632 -0.133 25125
11995 1 18 . 1 1 57 57 MET N N 57 122.581 122.581 117.539 5.042 25125
11996 1 18 . 1 1 57 57 MET HA H 57 4.821 4.821 5.040 -0.219 25125
11997 1 18 . 1 1 57 57 MET CA C 57 53.132 53.132 52.327 0.805 25125
11998 1 18 . 1 1 57 57 MET CB C 57 33.445 33.445 33.950 -0.505 25125
11999 1 18 . 1 1 57 57 MET H H 57 7.956 7.956 7.788 0.168 25125
12000 1 18 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.452 -0.059 25125
12001 1 18 . 1 1 58 58 PRO C C 58 177.806 177.806 178.362 -0.556 25125
12002 1 18 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.432 0.067 25125
12003 1 18 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.214 -0.407 25125
12004 1 18 . 1 1 59 59 GLY N N 59 111.082 111.082 109.376 1.706 25125
12005 1 18 . 1 1 59 59 GLY C C 59 173.626 173.626 174.345 -0.719 25125
12006 1 18 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.774 -0.184 25125
12007 1 18 . 1 1 59 59 GLY H H 59 8.653 8.653 8.458 0.195 25125
12008 1 18 . 1 1 60 60 MET N N 60 120.052 120.052 125.015 -4.963 25125
12009 1 18 . 1 1 60 60 MET HA H 60 4.525 4.525 4.448 0.077 25125
12010 1 18 . 1 1 60 60 MET C C 60 173.956 173.956 174.914 -0.958 25125
12011 1 18 . 1 1 60 60 MET CA C 60 55.047 55.047 55.571 -0.524 25125
12012 1 18 . 1 1 60 60 MET CB C 60 34.506 34.506 33.110 1.396 25125
12013 1 18 . 1 1 60 60 MET H H 60 7.968 7.968 8.029 -0.061 25125
12014 1 18 . 1 1 61 61 ASP N N 61 121.306 121.306 123.371 -2.065 25125
12015 1 18 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.814 -0.110 25125
12016 1 18 . 1 1 61 61 ASP C C 61 176.761 176.761 177.006 -0.245 25125
12017 1 18 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.943 -0.214 25125
12018 1 18 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.720 0.349 25125
12019 1 18 . 1 1 61 61 ASP H H 61 8.379 8.379 8.647 -0.268 25125
12020 1 18 . 1 1 62 62 GLY N N 62 110.874 110.874 109.384 1.490 25125
12021 1 18 . 1 1 62 62 GLY C C 62 175.194 175.194 176.385 -1.191 25125
12022 1 18 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.444 0.657 25125
12023 1 18 . 1 1 62 62 GLY H H 62 8.707 8.707 8.162 0.545 25125
12024 1 18 . 1 1 63 63 LEU N N 63 121.299 121.299 123.881 -2.582 25125
12025 1 18 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.027 0.150 25125
12026 1 18 . 1 1 63 63 LEU C C 63 178.356 178.356 178.399 -0.043 25125
12027 1 18 . 1 1 63 63 LEU CA C 63 56.878 56.878 57.752 -0.874 25125
12028 1 18 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.890 0.348 25125
12029 1 18 . 1 1 63 63 LEU H H 63 8.045 8.045 8.235 -0.190 25125
12030 1 18 . 1 1 64 64 ALA N N 64 122.741 122.741 121.500 1.241 25125
12031 1 18 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.109 -0.047 25125
12032 1 18 . 1 1 64 64 ALA C C 64 180.556 180.556 179.177 1.379 25125
12033 1 18 . 1 1 64 64 ALA CA C 64 54.615 54.615 54.725 -0.110 25125
12034 1 18 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.948 0.052 25125
12035 1 18 . 1 1 64 64 ALA H H 64 7.859 7.859 8.252 -0.393 25125
12036 1 18 . 1 1 65 65 LEU N N 65 120.287 120.287 116.623 3.664 25125
12037 1 18 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.529 -0.467 25125
12038 1 18 . 1 1 65 65 LEU C C 65 178.191 178.191 179.069 -0.878 25125
12039 1 18 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.682 1.337 25125
12040 1 18 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.528 -1.290 25125
12041 1 18 . 1 1 65 65 LEU H H 65 8.022 8.022 7.645 0.377 25125
12042 1 18 . 1 1 66 66 LEU N N 66 118.738 118.738 123.103 -4.365 25125
12043 1 18 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.064 -0.206 25125
12044 1 18 . 1 1 66 66 LEU C C 66 178.631 178.631 178.699 -0.068 25125
12045 1 18 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.630 0.716 25125
12046 1 18 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.758 0.480 25125
12047 1 18 . 1 1 66 66 LEU H H 66 8.101 8.101 8.804 -0.703 25125
12048 1 18 . 1 1 67 67 LYS N N 67 117.842 117.842 117.645 0.197 25125
12049 1 18 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.013 -0.031 25125
12050 1 18 . 1 1 67 67 LYS C C 67 179.263 179.263 179.433 -0.170 25125
12051 1 18 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.861 0.936 25125
12052 1 18 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.078 0.129 25125
12053 1 18 . 1 1 67 67 LYS H H 67 8.010 8.010 7.890 0.120 25125
12054 1 18 . 1 1 68 68 GLN N N 68 118.875 118.875 118.614 0.261 25125
12055 1 18 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.165 -0.109 25125
12056 1 18 . 1 1 68 68 GLN C C 68 179.071 179.071 178.117 0.954 25125
12057 1 18 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.786 0.287 25125
12058 1 18 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.936 -0.325 25125
12059 1 18 . 1 1 68 68 GLN H H 68 7.809 7.809 7.950 -0.141 25125
12060 1 18 . 1 1 69 69 ILE N N 69 120.377 120.377 118.943 1.434 25125
12061 1 18 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.901 -0.371 25125
12062 1 18 . 1 1 69 69 ILE C C 69 177.421 177.421 178.471 -1.050 25125
12063 1 18 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.975 0.903 25125
12064 1 18 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.627 -0.043 25125
12065 1 18 . 1 1 69 69 ILE H H 69 8.481 8.481 7.830 0.651 25125
12066 1 18 . 1 1 70 70 LYS N N 70 117.873 117.873 118.045 -0.172 25125
12067 1 18 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.109 -0.149 25125
12068 1 18 . 1 1 70 70 LYS C C 70 178.053 178.053 178.545 -0.492 25125
12069 1 18 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.412 -2.324 25125
12070 1 18 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.281 -1.069 25125
12071 1 18 . 1 1 70 70 LYS H H 70 8.220 8.220 7.756 0.464 25125
12072 1 18 . 1 1 71 71 GLN N N 71 116.315 116.315 118.898 -2.583 25125
12073 1 18 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.127 -0.135 25125
12074 1 18 . 1 1 71 71 GLN C C 71 177.366 177.366 178.040 -0.674 25125
12075 1 18 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.523 -0.333 25125
12076 1 18 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.686 -0.021 25125
12077 1 18 . 1 1 71 71 GLN H H 71 7.601 7.601 7.590 0.011 25125
12078 1 18 . 1 1 72 72 ARG N N 72 116.530 116.530 118.151 -1.621 25125
12079 1 18 . 1 1 72 72 ARG HA H 72 4.030 4.030 3.997 0.033 25125
12080 1 18 . 1 1 72 72 ARG C C 72 175.826 175.826 176.899 -1.073 25125
12081 1 18 . 1 1 72 72 ARG CA C 72 57.222 57.222 58.307 -1.085 25125
12082 1 18 . 1 1 72 72 ARG CB C 72 31.802 31.802 30.724 1.078 25125
12083 1 18 . 1 1 72 72 ARG H H 72 7.301 7.301 8.041 -0.740 25125
12084 1 18 . 1 1 73 73 HIS N N 73 116.755 116.755 116.178 0.577 25125
12085 1 18 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.003 -0.043 25125
12086 1 18 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.110 0.108 25125
12087 1 18 . 1 1 73 73 HIS CB C 73 30.562 30.562 29.599 0.963 25125
12088 1 18 . 1 1 73 73 HIS H H 73 8.331 8.331 7.742 0.589 25125
12089 1 18 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.474 0.025 25125
12090 1 18 . 1 1 74 74 PRO C C 74 178.466 178.466 176.891 1.575 25125
12091 1 18 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.213 0.900 25125
12092 1 18 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.075 0.021 25125
12093 1 18 . 1 1 75 75 MET N N 75 114.814 114.814 116.952 -2.138 25125
12094 1 18 . 1 1 75 75 MET HA H 75 4.567 4.567 4.642 -0.075 25125
12095 1 18 . 1 1 75 75 MET C C 75 176.046 176.046 174.659 1.387 25125
12096 1 18 . 1 1 75 75 MET CA C 75 54.266 54.266 54.961 -0.695 25125
12097 1 18 . 1 1 75 75 MET CB C 75 31.288 31.288 33.516 -2.228 25125
12098 1 18 . 1 1 75 75 MET H H 75 8.623 8.623 7.939 0.684 25125
12099 1 18 . 1 1 76 76 LEU N N 76 125.533 125.533 123.508 2.025 25125
12100 1 18 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.787 -0.482 25125
12101 1 18 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.042 2.070 25125
12102 1 18 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.441 0.244 25125
12103 1 18 . 1 1 76 76 LEU H H 76 7.337 7.337 7.348 -0.011 25125
12104 1 18 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.505 -0.059 25125
12105 1 18 . 1 1 77 77 PRO C C 77 174.974 174.974 175.328 -0.354 25125
12106 1 18 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.570 0.257 25125
12107 1 18 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.556 -0.834 25125
12108 1 18 . 1 1 78 78 VAL N N 78 123.779 123.779 120.342 3.437 25125
12109 1 18 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.888 0.136 25125
12110 1 18 . 1 1 78 78 VAL C C 78 175.441 175.441 175.716 -0.275 25125
12111 1 18 . 1 1 78 78 VAL CA C 78 60.193 60.193 61.325 -1.132 25125
12112 1 18 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.407 -2.113 25125
12113 1 18 . 1 1 78 78 VAL H H 78 8.317 8.317 8.391 -0.074 25125
12114 1 18 . 1 1 79 79 ILE N N 79 128.334 128.334 124.601 3.733 25125
12115 1 18 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.769 -0.288 25125
12116 1 18 . 1 1 79 79 ILE C C 79 174.479 174.479 174.984 -0.505 25125
12117 1 18 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.186 -0.664 25125
12118 1 18 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.932 -1.969 25125
12119 1 18 . 1 1 79 79 ILE H H 79 9.292 9.292 8.913 0.379 25125
12120 1 18 . 1 1 80 80 ILE N N 80 127.023 127.023 126.051 0.972 25125
12121 1 18 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.568 0.291 25125
12122 1 18 . 1 1 80 80 ILE C C 80 175.029 175.029 175.485 -0.456 25125
12123 1 18 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.692 -1.535 25125
12124 1 18 . 1 1 80 80 ILE CB C 80 37.944 37.944 38.806 -0.862 25125
12125 1 18 . 1 1 80 80 ILE H H 80 7.938 7.938 8.811 -0.873 25125
12126 1 18 . 1 1 81 81 MET N N 81 127.255 127.255 124.796 2.459 25125
12127 1 18 . 1 1 81 81 MET HA H 81 5.521 5.521 5.468 0.053 25125
12128 1 18 . 1 1 81 81 MET C C 81 174.534 174.534 175.725 -1.191 25125
12129 1 18 . 1 1 81 81 MET CA C 81 53.513 53.513 54.996 -1.483 25125
12130 1 18 . 1 1 81 81 MET CB C 81 35.483 35.483 35.359 0.124 25125
12131 1 18 . 1 1 81 81 MET H H 81 8.801 8.801 8.126 0.675 25125
12132 1 18 . 1 1 82 82 THR N N 82 112.857 112.857 116.851 -3.994 25125
12133 1 18 . 1 1 82 82 THR HA H 82 4.914 4.914 4.535 0.379 25125
12134 1 18 . 1 1 82 82 THR C C 82 172.581 172.581 174.544 -1.963 25125
12135 1 18 . 1 1 82 82 THR CA C 82 59.561 59.561 63.768 -4.207 25125
12136 1 18 . 1 1 82 82 THR CB C 82 69.989 69.989 69.501 0.488 25125
12137 1 18 . 1 1 82 82 THR H H 82 7.623 7.623 8.543 -0.920 25125
12138 1 18 . 1 1 83 83 ALA N N 83 129.541 129.541 122.843 6.698 25125
12139 1 18 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.966 0.742 25125
12140 1 18 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.097 -1.559 25125
12141 1 18 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.982 2.165 25125
12142 1 18 . 1 1 83 83 ALA H H 83 9.149 9.149 8.233 0.916 25125
12143 1 18 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.479 -0.207 25125
12144 1 18 . 1 1 84 84 HIS CA C 84 59.700 59.700 54.923 4.777 25125
12145 1 18 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.555 0.463 25125
12146 1 18 . 1 1 85 85 SER N N 85 112.633 112.633 115.065 -2.432 25125
12147 1 18 . 1 1 85 85 SER HA H 85 4.198 4.198 4.005 0.193 25125
12148 1 18 . 1 1 85 85 SER C C 85 174.506 174.506 173.291 1.215 25125
12149 1 18 . 1 1 85 85 SER CA C 85 59.823 59.823 60.802 -0.979 25125
12150 1 18 . 1 1 85 85 SER CB C 85 62.693 62.693 62.729 -0.036 25125
12151 1 18 . 1 1 85 85 SER H H 85 8.224 8.224 8.539 -0.315 25125
12152 1 18 . 1 1 86 86 ASP N N 86 120.886 120.886 124.418 -3.532 25125
12153 1 18 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.408 0.528 25125
12154 1 18 . 1 1 86 86 ASP C C 86 175.881 175.881 176.694 -0.813 25125
12155 1 18 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.621 -1.687 25125
12156 1 18 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.987 1.016 25125
12157 1 18 . 1 1 86 86 ASP H H 86 7.608 7.608 8.097 -0.489 25125
12158 1 18 . 1 1 87 87 LEU N N 87 121.913 121.913 121.547 0.366 25125
12159 1 18 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.800 0.119 25125
12160 1 18 . 1 1 87 87 LEU C C 87 177.586 177.586 177.758 -0.172 25125
12161 1 18 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.188 -0.350 25125
12162 1 18 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.784 0.531 25125
12163 1 18 . 1 1 87 87 LEU H H 87 7.498 7.498 7.454 0.044 25125
12164 1 18 . 1 1 88 88 ASP N N 88 117.621 117.621 118.366 -0.745 25125
12165 1 18 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.180 0.092 25125
12166 1 18 . 1 1 88 88 ASP C C 88 178.246 178.246 177.586 0.660 25125
12167 1 18 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.339 -0.529 25125
12168 1 18 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.518 -0.384 25125
12169 1 18 . 1 1 88 88 ASP H H 88 8.322 8.322 8.789 -0.467 25125
12170 1 18 . 1 1 89 89 ALA N N 89 122.874 122.874 120.450 2.424 25125
12171 1 18 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.339 -0.245 25125
12172 1 18 . 1 1 89 89 ALA C C 89 179.346 179.346 179.265 0.081 25125
12173 1 18 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.175 -0.022 25125
12174 1 18 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.592 -0.331 25125
12175 1 18 . 1 1 89 89 ALA H H 89 7.838 7.838 7.341 0.497 25125
12176 1 18 . 1 1 90 90 ALA N N 90 121.673 121.673 121.627 0.046 25125
12177 1 18 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.127 -0.194 25125
12178 1 18 . 1 1 90 90 ALA C C 90 178.686 178.686 180.248 -1.562 25125
12179 1 18 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.707 -0.044 25125
12180 1 18 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.093 0.289 25125
12181 1 18 . 1 1 90 90 ALA H H 90 7.896 7.896 7.680 0.216 25125
12182 1 18 . 1 1 91 91 VAL N N 91 117.749 117.749 119.856 -2.107 25125
12183 1 18 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.994 -0.382 25125
12184 1 18 . 1 1 91 91 VAL C C 91 178.411 178.411 177.970 0.441 25125
12185 1 18 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.184 -1.003 25125
12186 1 18 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.469 0.168 25125
12187 1 18 . 1 1 91 91 VAL H H 91 8.098 8.098 8.441 -0.343 25125
12188 1 18 . 1 1 92 92 SER N N 92 114.942 114.942 113.395 1.547 25125
12189 1 18 . 1 1 92 92 SER HA H 92 4.231 4.231 4.388 -0.157 25125
12190 1 18 . 1 1 92 92 SER C C 92 175.826 175.826 175.339 0.487 25125
12191 1 18 . 1 1 92 92 SER CA C 92 60.649 60.649 60.213 0.436 25125
12192 1 18 . 1 1 92 92 SER CB C 92 63.063 63.063 63.628 -0.565 25125
12193 1 18 . 1 1 92 92 SER H H 92 7.825 7.825 8.035 -0.210 25125
12194 1 18 . 1 1 93 93 ALA N N 93 122.580 122.580 123.351 -0.771 25125
12195 1 18 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.331 -0.274 25125
12196 1 18 . 1 1 93 93 ALA C C 93 178.906 178.906 179.439 -0.533 25125
12197 1 18 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.156 0.161 25125
12198 1 18 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.835 -0.538 25125
12199 1 18 . 1 1 93 93 ALA H H 93 7.861 7.861 8.236 -0.375 25125
12200 1 18 . 1 1 94 94 TYR N N 94 118.447 118.447 120.404 -1.957 25125
12201 1 18 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.292 0.200 25125
12202 1 18 . 1 1 94 94 TYR C C 94 177.393 177.393 177.153 0.240 25125
12203 1 18 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.054 -0.803 25125
12204 1 18 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.513 -0.079 25125
12205 1 18 . 1 1 94 94 TYR H H 94 8.150 8.150 7.882 0.268 25125
12206 1 18 . 1 1 95 95 GLN N N 95 119.787 119.787 115.598 4.189 25125
12207 1 18 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.053 -0.010 25125
12208 1 18 . 1 1 95 95 GLN C C 95 176.981 176.981 176.429 0.552 25125
12209 1 18 . 1 1 95 95 GLN CA C 95 57.466 57.466 57.194 0.272 25125
12210 1 18 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.729 0.360 25125
12211 1 18 . 1 1 95 95 GLN H H 95 8.271 8.271 8.143 0.128 25125
12212 1 18 . 1 1 96 96 GLN N N 96 117.878 117.878 118.408 -0.530 25125
12213 1 18 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.241 0.104 25125
12214 1 18 . 1 1 96 96 GLN C C 96 175.854 175.854 176.494 -0.640 25125
12215 1 18 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.183 -0.012 25125
12216 1 18 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.001 0.474 25125
12217 1 18 . 1 1 96 96 GLN H H 96 7.944 7.944 7.680 0.264 25125
12218 1 18 . 1 1 97 97 GLY N N 97 106.670 106.670 105.822 0.848 25125
12219 1 18 . 1 1 97 97 GLY C C 97 174.231 174.231 173.135 1.096 25125
12220 1 18 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.717 0.769 25125
12221 1 18 . 1 1 97 97 GLY H H 97 7.949 7.949 8.140 -0.191 25125
12222 1 18 . 1 1 98 98 ALA N N 98 122.898 122.898 121.782 1.116 25125
12223 1 18 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.456 -0.081 25125
12224 1 18 . 1 1 98 98 ALA C C 98 175.991 175.991 175.444 0.547 25125
12225 1 18 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.143 2.025 25125
12226 1 18 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.337 -1.367 25125
12227 1 18 . 1 1 98 98 ALA H H 98 7.808 7.808 7.158 0.650 25125
12228 1 18 . 1 1 99 99 PHE N N 99 123.484 123.484 118.475 5.009 25125
12229 1 18 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.534 -0.184 25125
12230 1 18 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.235 2.221 25125
12231 1 18 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.661 -1.221 25125
12232 1 18 . 1 1 99 99 PHE H H 99 7.704 7.704 8.228 -0.524 25125
12233 1 18 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.897 0.607 25125
12234 1 18 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.233 -1.751 25125
12235 1 18 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.330 3.870 25125
12236 1 18 . 1 1 101 101 TYR N N 101 118.148 118.148 120.865 -2.717 25125
12237 1 18 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.507 0.941 25125
12238 1 18 . 1 1 101 101 TYR C C 101 173.159 173.159 174.346 -1.187 25125
12239 1 18 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.707 -0.720 25125
12240 1 18 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.093 2.805 25125
12241 1 18 . 1 1 101 101 TYR H H 101 9.546 9.546 7.272 2.274 25125
12242 1 18 . 1 1 102 102 LEU N N 102 124.100 124.100 120.330 3.770 25125
12243 1 18 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.070 -0.350 25125
12244 1 18 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.552 -1.053 25125
12245 1 18 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.571 -0.510 25125
12246 1 18 . 1 1 102 102 LEU H H 102 8.901 8.901 8.716 0.185 25125
12247 1 18 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.583 0.310 25125
12248 1 18 . 1 1 103 103 PRO C C 103 175.524 175.524 175.826 -0.302 25125
12249 1 18 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.902 -1.017 25125
12250 1 18 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.558 -0.751 25125
12251 1 18 . 1 1 104 104 LYS N N 104 118.848 118.848 120.659 -1.811 25125
12252 1 18 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.904 -0.391 25125
12253 1 18 . 1 1 104 104 LYS CA C 104 53.218 53.218 52.576 0.642 25125
12254 1 18 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.345 2.399 25125
12255 1 18 . 1 1 104 104 LYS H H 104 8.279 8.279 8.062 0.217 25125
12256 1 18 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.263 0.036 25125
12257 1 18 . 1 1 105 105 PRO C C 105 175.001 175.001 175.865 -0.864 25125
12258 1 18 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.650 -0.256 25125
12259 1 18 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.065 2.030 25125
12260 1 18 . 1 1 106 106 PHE N N 106 116.607 116.607 114.907 1.700 25125
12261 1 18 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.719 0.451 25125
12262 1 18 . 1 1 106 106 PHE C C 106 175.221 175.221 174.272 0.949 25125
12263 1 18 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.117 -2.682 25125
12264 1 18 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.016 0.384 25125
12265 1 18 . 1 1 106 106 PHE H H 106 7.457 7.457 7.573 -0.116 25125
12266 1 18 . 1 1 107 107 ASP N N 107 122.214 122.214 122.113 0.101 25125
12267 1 18 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.105 -0.273 25125
12268 1 18 . 1 1 107 107 ASP C C 107 177.778 177.778 177.130 0.648 25125
12269 1 18 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.220 0.022 25125
12270 1 18 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.422 1.175 25125
12271 1 18 . 1 1 107 107 ASP H H 107 9.022 9.022 8.614 0.408 25125
12272 1 18 . 1 1 108 108 ILE N N 108 127.706 127.706 124.960 2.746 25125
12273 1 18 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.765 0.200 25125
12274 1 18 . 1 1 108 108 ILE C C 108 176.046 176.046 177.359 -1.313 25125
12275 1 18 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.618 -1.629 25125
12276 1 18 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.151 -0.397 25125
12277 1 18 . 1 1 108 108 ILE H H 108 8.860 8.860 8.769 0.091 25125
12278 1 18 . 1 1 109 109 ASP N N 109 120.058 120.058 119.423 0.635 25125
12279 1 18 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.373 0.015 25125
12280 1 18 . 1 1 109 109 ASP C C 109 179.786 179.786 178.711 1.075 25125
12281 1 18 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.559 -0.065 25125
12282 1 18 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.516 -0.462 25125
12283 1 18 . 1 1 109 109 ASP H H 109 8.079 8.079 8.587 -0.508 25125
12284 1 18 . 1 1 110 110 GLU N N 110 121.559 121.559 119.389 2.170 25125
12285 1 18 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.236 -0.168 25125
12286 1 18 . 1 1 110 110 GLU C C 110 179.043 179.043 178.469 0.574 25125
12287 1 18 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.709 0.117 25125
12288 1 18 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.888 -0.545 25125
12289 1 18 . 1 1 110 110 GLU H H 110 8.012 8.012 8.059 -0.047 25125
12290 1 18 . 1 1 111 111 ALA N N 111 122.267 122.267 123.395 -1.128 25125
12291 1 18 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.977 -0.223 25125
12292 1 18 . 1 1 111 111 ALA C C 111 178.493 178.493 179.486 -0.993 25125
12293 1 18 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.253 -0.081 25125
12294 1 18 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.243 0.139 25125
12295 1 18 . 1 1 111 111 ALA H H 111 7.897 7.897 8.043 -0.146 25125
12296 1 18 . 1 1 112 112 VAL N N 112 116.527 116.527 118.157 -1.630 25125
12297 1 18 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.571 -0.404 25125
12298 1 18 . 1 1 112 112 VAL C C 112 177.201 177.201 177.806 -0.605 25125
12299 1 18 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.853 0.292 25125
12300 1 18 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.316 0.236 25125
12301 1 18 . 1 1 112 112 VAL H H 112 8.018 8.018 8.395 -0.377 25125
12302 1 18 . 1 1 113 113 ALA N N 113 119.895 119.895 121.025 -1.130 25125
12303 1 18 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.482 -0.344 25125
12304 1 18 . 1 1 113 113 ALA CA C 113 54.832 54.832 53.967 0.865 25125
12305 1 18 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.860 -0.989 25125
12306 1 18 . 1 1 113 113 ALA H H 113 7.673 7.673 7.472 0.201 25125
12307 1 18 . 1 1 114 114 LEU N N 114 120.650 120.650 120.394 0.256 25125
12308 1 18 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.094 -0.011 25125
12309 1 18 . 1 1 114 114 LEU C C 114 178.466 178.466 178.467 -0.001 25125
12310 1 18 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.723 0.297 25125
12311 1 18 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.051 -0.218 25125
12312 1 18 . 1 1 114 114 LEU H H 114 7.840 7.840 7.746 0.094 25125
12313 1 18 . 1 1 115 115 VAL N N 115 119.480 119.480 118.103 1.377 25125
12314 1 18 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.495 -0.283 25125
12315 1 18 . 1 1 115 115 VAL C C 115 177.448 177.448 176.878 0.570 25125
12316 1 18 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.636 1.565 25125
12317 1 18 . 1 1 115 115 VAL CB C 115 30.672 30.672 32.028 -1.356 25125
12318 1 18 . 1 1 115 115 VAL H H 115 7.824 7.824 8.009 -0.185 25125
12319 1 18 . 1 1 116 116 GLU N N 116 117.473 117.473 119.427 -1.954 25125
12320 1 18 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.877 -0.088 25125
12321 1 18 . 1 1 116 116 GLU C C 116 179.566 179.566 178.911 0.655 25125
12322 1 18 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.712 0.218 25125
12323 1 18 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.199 -0.103 25125
12324 1 18 . 1 1 116 116 GLU H H 116 8.465 8.465 7.549 0.916 25125
12325 1 18 . 1 1 117 117 ARG N N 117 120.128 120.128 118.888 1.240 25125
12326 1 18 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.047 0.017 25125
12327 1 18 . 1 1 117 117 ARG C C 117 178.438 178.438 178.198 0.240 25125
12328 1 18 . 1 1 117 117 ARG CA C 117 59.278 59.278 59.026 0.252 25125
12329 1 18 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.704 0.573 25125
12330 1 18 . 1 1 117 117 ARG H H 117 8.012 8.012 7.445 0.567 25125
12331 1 18 . 1 1 118 118 ALA N N 118 122.270 122.270 120.919 1.351 25125
12332 1 18 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.743 -0.287 25125
12333 1 18 . 1 1 118 118 ALA C C 118 178.741 178.741 179.149 -0.408 25125
12334 1 18 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.513 0.065 25125
12335 1 18 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.031 0.127 25125
12336 1 18 . 1 1 118 118 ALA H H 118 7.958 7.958 7.355 0.603 25125
12337 1 18 . 1 1 119 119 ILE N N 119 115.269 115.269 116.826 -1.557 25125
12338 1 18 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.811 -0.083 25125
12339 1 18 . 1 1 119 119 ILE C C 119 177.366 177.366 178.383 -1.017 25125
12340 1 18 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.724 -1.055 25125
12341 1 18 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.104 -0.306 25125
12342 1 18 . 1 1 119 119 ILE H H 119 7.753 7.753 7.470 0.283 25125
12343 1 18 . 1 1 120 120 SER N N 120 115.135 115.135 115.232 -0.097 25125
12344 1 18 . 1 1 120 120 SER HA H 120 4.275 4.275 4.070 0.205 25125
12345 1 18 . 1 1 120 120 SER C C 120 175.084 175.084 175.614 -0.530 25125
12346 1 18 . 1 1 120 120 SER CA C 120 59.816 59.816 61.810 -1.994 25125
12347 1 18 . 1 1 120 120 SER CB C 120 63.380 63.380 62.838 0.542 25125
12348 1 18 . 1 1 120 120 SER H H 120 7.816 7.816 8.318 -0.502 25125
12349 1 18 . 1 1 121 121 HIS N N 121 119.908 119.908 119.663 0.245 25125
12350 1 18 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.143 0.279 25125
12351 1 18 . 1 1 121 121 HIS C C 121 175.029 175.029 176.483 -1.454 25125
12352 1 18 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.969 -1.733 25125
12353 1 18 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.779 -0.351 25125
12354 1 18 . 1 1 121 121 HIS H H 121 7.910 7.910 8.003 -0.093 25125
12355 1 18 . 1 1 122 122 TYR N N 122 118.880 118.880 116.623 2.257 25125
12356 1 18 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.641 -0.215 25125
12357 1 18 . 1 1 122 122 TYR C C 122 175.276 175.276 176.779 -1.503 25125
12358 1 18 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.071 -0.622 25125
12359 1 18 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.207 -0.603 25125
12360 1 18 . 1 1 122 122 TYR H H 122 7.766 7.766 7.656 0.110 25125
12361 1 18 . 1 1 123 123 GLN N N 123 121.479 121.479 118.293 3.186 25125
12362 1 18 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.546 -0.276 25125
12363 1 18 . 1 1 123 123 GLN C C 123 174.534 174.534 175.200 -0.666 25125
12364 1 18 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.271 0.241 25125
12365 1 18 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.584 1.184 25125
12366 1 18 . 1 1 123 123 GLN H H 123 7.878 7.878 7.766 0.112 25125
12367 1 19 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.555 -0.122 25125
12368 1 19 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.378 0.186 25125
12369 1 19 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.423 2.177 25125
12370 1 19 . 1 1 3 3 ARG N N 3 121.252 121.252 118.908 2.344 25125
12371 1 19 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.164 0.201 25125
12372 1 19 . 1 1 3 3 ARG C C 3 175.634 175.634 175.942 -0.308 25125
12373 1 19 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.788 -0.797 25125
12374 1 19 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.248 1.049 25125
12375 1 19 . 1 1 3 3 ARG H H 3 8.429 8.429 7.423 1.006 25125
12376 1 19 . 1 1 4 4 GLY N N 4 107.663 107.663 108.409 -0.746 25125
12377 1 19 . 1 1 4 4 GLY C C 4 171.041 171.041 173.212 -2.171 25125
12378 1 19 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.451 0.865 25125
12379 1 19 . 1 1 4 4 GLY H H 4 7.963 7.963 7.615 0.348 25125
12380 1 19 . 1 1 5 5 ILE N N 5 122.603 122.603 126.614 -4.011 25125
12381 1 19 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.011 0.688 25125
12382 1 19 . 1 1 5 5 ILE C C 5 175.359 175.359 174.738 0.621 25125
12383 1 19 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.755 -1.145 25125
12384 1 19 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.536 0.040 25125
12385 1 19 . 1 1 5 5 ILE H H 5 9.610 9.610 8.194 1.416 25125
12386 1 19 . 1 1 6 6 VAL N N 6 127.905 127.905 125.098 2.807 25125
12387 1 19 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.972 -0.160 25125
12388 1 19 . 1 1 6 6 VAL C C 6 174.204 174.204 175.206 -1.002 25125
12389 1 19 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.558 -0.999 25125
12390 1 19 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.034 0.492 25125
12391 1 19 . 1 1 6 6 VAL H H 6 9.090 9.090 7.919 1.171 25125
12392 1 19 . 1 1 7 7 TRP N N 7 127.467 127.467 127.450 0.017 25125
12393 1 19 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.212 1.242 25125
12394 1 19 . 1 1 7 7 TRP C C 7 175.056 175.056 175.037 0.019 25125
12395 1 19 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.451 -1.573 25125
12396 1 19 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.876 1.258 25125
12397 1 19 . 1 1 7 7 TRP H H 7 8.497 8.497 8.651 -0.154 25125
12398 1 19 . 1 1 8 8 VAL N N 8 122.068 122.068 122.544 -0.476 25125
12399 1 19 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.388 0.698 25125
12400 1 19 . 1 1 8 8 VAL C C 8 173.874 173.874 173.835 0.039 25125
12401 1 19 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.357 -0.871 25125
12402 1 19 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.650 1.065 25125
12403 1 19 . 1 1 8 8 VAL H H 8 8.583 8.583 9.243 -0.660 25125
12404 1 19 . 1 1 9 9 VAL N N 9 127.733 127.733 124.911 2.822 25125
12405 1 19 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.517 0.444 25125
12406 1 19 . 1 1 9 9 VAL C C 9 173.131 173.131 173.236 -0.105 25125
12407 1 19 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.741 -1.066 25125
12408 1 19 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.772 0.139 25125
12409 1 19 . 1 1 9 9 VAL H H 9 9.107 9.107 8.716 0.391 25125
12410 1 19 . 1 1 10 10 ASP N N 10 124.306 124.306 127.141 -2.835 25125
12411 1 19 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.996 -0.427 25125
12412 1 19 . 1 1 10 10 ASP C C 10 175.029 175.029 175.755 -0.726 25125
12413 1 19 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.971 1.776 25125
12414 1 19 . 1 1 10 10 ASP CB C 10 44.109 44.109 44.374 -0.265 25125
12415 1 19 . 1 1 10 10 ASP H H 10 7.775 7.775 7.960 -0.185 25125
12416 1 19 . 1 1 11 11 ASP N N 11 126.714 126.714 120.145 6.569 25125
12417 1 19 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.652 -0.117 25125
12418 1 19 . 1 1 11 11 ASP C C 11 175.689 175.689 175.365 0.324 25125
12419 1 19 . 1 1 11 11 ASP CA C 11 55.718 55.718 55.030 0.688 25125
12420 1 19 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.520 0.554 25125
12421 1 19 . 1 1 11 11 ASP H H 11 9.033 9.033 8.733 0.300 25125
12422 1 19 . 1 1 12 12 ASP N N 12 121.877 121.877 118.109 3.768 25125
12423 1 19 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.906 -0.260 25125
12424 1 19 . 1 1 12 12 ASP C C 12 177.036 177.036 176.775 0.261 25125
12425 1 19 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.633 -0.330 25125
12426 1 19 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.041 -2.877 25125
12427 1 19 . 1 1 12 12 ASP H H 12 9.570 9.570 7.944 1.626 25125
12428 1 19 . 1 1 13 13 SER N N 13 123.799 123.799 120.190 3.609 25125
12429 1 19 . 1 1 13 13 SER HA H 13 3.761 3.761 4.261 -0.500 25125
12430 1 19 . 1 1 13 13 SER C C 13 176.156 176.156 175.878 0.278 25125
12431 1 19 . 1 1 13 13 SER CA C 13 61.186 61.186 61.864 -0.678 25125
12432 1 19 . 1 1 13 13 SER CB C 13 62.749 62.749 63.225 -0.476 25125
12433 1 19 . 1 1 13 13 SER H H 13 8.850 8.850 8.855 -0.005 25125
12434 1 19 . 1 1 14 14 SER N N 14 119.123 119.123 117.643 1.480 25125
12435 1 19 . 1 1 14 14 SER HA H 14 4.361 4.361 4.427 -0.066 25125
12436 1 19 . 1 1 14 14 SER C C 14 176.404 176.404 176.588 -0.184 25125
12437 1 19 . 1 1 14 14 SER CA C 14 61.730 61.730 61.422 0.308 25125
12438 1 19 . 1 1 14 14 SER CB C 14 62.548 62.548 62.654 -0.106 25125
12439 1 19 . 1 1 14 14 SER H H 14 8.531 8.531 8.839 -0.308 25125
12440 1 19 . 1 1 15 15 ILE N N 15 123.637 123.637 122.955 0.682 25125
12441 1 19 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.150 -0.205 25125
12442 1 19 . 1 1 15 15 ILE C C 15 177.861 177.861 177.465 0.396 25125
12443 1 19 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.718 -1.518 25125
12444 1 19 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.225 -1.339 25125
12445 1 19 . 1 1 15 15 ILE H H 15 7.206 7.206 7.789 -0.583 25125
12446 1 19 . 1 1 16 16 ARG N N 16 116.694 116.694 120.009 -3.315 25125
12447 1 19 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.604 -0.881 25125
12448 1 19 . 1 1 16 16 ARG C C 16 177.448 177.448 178.626 -1.178 25125
12449 1 19 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.725 2.848 25125
12450 1 19 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.183 0.264 25125
12451 1 19 . 1 1 16 16 ARG H H 16 7.562 7.562 8.011 -0.449 25125
12452 1 19 . 1 1 17 17 TRP N N 17 116.848 116.848 123.098 -6.250 25125
12453 1 19 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.553 -0.082 25125
12454 1 19 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.896 -0.456 25125
12455 1 19 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.963 -0.671 25125
12456 1 19 . 1 1 17 17 TRP H H 17 8.005 8.005 8.562 -0.557 25125
12457 1 19 . 1 1 18 18 VAL N N 18 116.964 116.964 117.384 -0.420 25125
12458 1 19 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.819 0.856 25125
12459 1 19 . 1 1 18 18 VAL C C 18 179.181 179.181 177.626 1.555 25125
12460 1 19 . 1 1 18 18 VAL CA C 18 65.708 65.708 66.062 -0.354 25125
12461 1 19 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.049 0.588 25125
12462 1 19 . 1 1 18 18 VAL H H 18 8.110 8.110 7.671 0.439 25125
12463 1 19 . 1 1 19 19 LEU N N 19 120.186 120.186 118.933 1.253 25125
12464 1 19 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.006 0.069 25125
12465 1 19 . 1 1 19 19 LEU C C 19 177.778 177.778 179.106 -1.328 25125
12466 1 19 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.818 0.004 25125
12467 1 19 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.402 0.379 25125
12468 1 19 . 1 1 19 19 LEU H H 19 8.073 8.073 7.538 0.535 25125
12469 1 19 . 1 1 20 20 GLU N N 20 120.193 120.193 118.974 1.219 25125
12470 1 19 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.884 0.057 25125
12471 1 19 . 1 1 20 20 GLU C C 20 178.603 178.603 178.966 -0.363 25125
12472 1 19 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.587 1.023 25125
12473 1 19 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.436 -0.348 25125
12474 1 19 . 1 1 20 20 GLU H H 20 8.387 8.387 7.656 0.731 25125
12475 1 19 . 1 1 21 21 ARG N N 21 116.076 116.076 117.862 -1.786 25125
12476 1 19 . 1 1 21 21 ARG HA H 21 3.893 3.893 4.015 -0.122 25125
12477 1 19 . 1 1 21 21 ARG C C 21 179.676 179.676 178.411 1.265 25125
12478 1 19 . 1 1 21 21 ARG CA C 21 58.449 58.449 56.861 1.589 25125
12479 1 19 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.864 0.989 25125
12480 1 19 . 1 1 21 21 ARG H H 21 7.602 7.602 7.560 0.042 25125
12481 1 19 . 1 1 22 22 ALA N N 22 122.405 122.405 122.266 0.139 25125
12482 1 19 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.059 0.038 25125
12483 1 19 . 1 1 22 22 ALA C C 22 180.501 180.501 180.009 0.492 25125
12484 1 19 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.914 -0.336 25125
12485 1 19 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.085 1.147 25125
12486 1 19 . 1 1 22 22 ALA H H 22 7.992 7.992 7.783 0.209 25125
12487 1 19 . 1 1 23 23 LEU N N 23 118.026 118.026 117.084 0.942 25125
12488 1 19 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.125 -0.124 25125
12489 1 19 . 1 1 23 23 LEU C C 23 178.878 178.878 178.953 -0.075 25125
12490 1 19 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.873 0.848 25125
12491 1 19 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.594 -1.939 25125
12492 1 19 . 1 1 23 23 LEU H H 23 8.825 8.825 7.448 1.377 25125
12493 1 19 . 1 1 24 24 ALA N N 24 122.159 122.159 122.750 -0.591 25125
12494 1 19 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.960 0.673 25125
12495 1 19 . 1 1 24 24 ALA C C 24 183.141 183.141 179.490 3.651 25125
12496 1 19 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.878 -0.131 25125
12497 1 19 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.305 -0.603 25125
12498 1 19 . 1 1 24 24 ALA H H 24 8.125 8.125 7.684 0.441 25125
12499 1 19 . 1 1 25 25 GLY N N 25 106.891 106.891 104.250 2.641 25125
12500 1 19 . 1 1 25 25 GLY C C 25 174.286 174.286 175.180 -0.894 25125
12501 1 19 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.491 0.930 25125
12502 1 19 . 1 1 25 25 GLY H H 25 7.870 7.870 7.999 -0.129 25125
12503 1 19 . 1 1 26 26 ALA N N 26 121.819 121.819 123.735 -1.916 25125
12504 1 19 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.455 0.044 25125
12505 1 19 . 1 1 26 26 ALA C C 26 176.953 176.953 178.080 -1.127 25125
12506 1 19 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.825 -0.306 25125
12507 1 19 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.022 -0.300 25125
12508 1 19 . 1 1 26 26 ALA H H 26 7.285 7.285 7.253 0.032 25125
12509 1 19 . 1 1 27 27 GLY N N 27 106.197 106.197 106.784 -0.587 25125
12510 1 19 . 1 1 27 27 GLY C C 27 173.956 173.956 173.448 0.508 25125
12511 1 19 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.191 0.125 25125
12512 1 19 . 1 1 27 27 GLY H H 27 7.824 7.824 7.882 -0.058 25125
12513 1 19 . 1 1 28 28 LEU N N 28 120.291 120.291 118.304 1.987 25125
12514 1 19 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.730 -0.155 25125
12515 1 19 . 1 1 28 28 LEU C C 28 175.881 175.881 176.274 -0.393 25125
12516 1 19 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.970 0.673 25125
12517 1 19 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.153 -1.668 25125
12518 1 19 . 1 1 28 28 LEU H H 28 7.678 7.678 7.746 -0.068 25125
12519 1 19 . 1 1 29 29 THR N N 29 118.040 118.040 117.742 0.298 25125
12520 1 19 . 1 1 29 29 THR HA H 29 4.335 4.335 4.182 0.153 25125
12521 1 19 . 1 1 29 29 THR C C 29 173.186 173.186 173.811 -0.625 25125
12522 1 19 . 1 1 29 29 THR CA C 29 62.479 62.479 64.402 -1.923 25125
12523 1 19 . 1 1 29 29 THR CB C 29 69.465 69.465 69.436 0.029 25125
12524 1 19 . 1 1 29 29 THR H H 29 8.527 8.527 8.471 0.056 25125
12525 1 19 . 1 1 30 30 CYS N N 30 128.387 128.387 120.400 7.987 25125
12526 1 19 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.478 0.465 25125
12527 1 19 . 1 1 30 30 CYS C C 30 173.846 173.846 174.033 -0.187 25125
12528 1 19 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.877 -0.515 25125
12529 1 19 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.046 -1.566 25125
12530 1 19 . 1 1 30 30 CYS H H 30 8.968 8.968 8.430 0.538 25125
12531 1 19 . 1 1 31 31 THR N N 31 126.481 126.481 123.990 2.491 25125
12532 1 19 . 1 1 31 31 THR HA H 31 4.433 4.433 4.516 -0.083 25125
12533 1 19 . 1 1 31 31 THR C C 31 172.609 172.609 173.746 -1.137 25125
12534 1 19 . 1 1 31 31 THR CA C 31 61.951 61.951 61.954 -0.003 25125
12535 1 19 . 1 1 31 31 THR CB C 31 70.567 70.567 70.573 -0.006 25125
12536 1 19 . 1 1 31 31 THR H H 31 8.614 8.614 8.495 0.119 25125
12537 1 19 . 1 1 32 32 THR N N 32 116.418 116.418 118.617 -2.199 25125
12538 1 19 . 1 1 32 32 THR HA H 32 5.330 5.330 5.225 0.105 25125
12539 1 19 . 1 1 32 32 THR C C 32 172.306 172.306 172.949 -0.643 25125
12540 1 19 . 1 1 32 32 THR CA C 32 59.173 59.173 60.185 -1.012 25125
12541 1 19 . 1 1 32 32 THR CB C 32 70.917 70.917 69.796 1.121 25125
12542 1 19 . 1 1 32 32 THR H H 32 8.299 8.299 8.249 0.050 25125
12543 1 19 . 1 1 33 33 PHE N N 33 118.067 118.067 126.366 -8.299 25125
12544 1 19 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.499 0.144 25125
12545 1 19 . 1 1 33 33 PHE C C 33 174.341 174.341 174.977 -0.636 25125
12546 1 19 . 1 1 33 33 PHE CA C 33 56.532 56.532 58.484 -1.952 25125
12547 1 19 . 1 1 33 33 PHE CB C 33 43.309 43.309 40.812 2.498 25125
12548 1 19 . 1 1 33 33 PHE H H 33 8.890 8.890 8.695 0.195 25125
12549 1 19 . 1 1 34 34 GLU N N 34 118.499 118.499 111.869 6.630 25125
12550 1 19 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.481 -0.127 25125
12551 1 19 . 1 1 34 34 GLU C C 34 175.414 175.414 174.260 1.154 25125
12552 1 19 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.403 0.290 25125
12553 1 19 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.656 0.811 25125
12554 1 19 . 1 1 34 34 GLU H H 34 9.023 9.023 8.468 0.555 25125
12555 1 19 . 1 1 35 35 ASN N N 35 109.907 109.907 118.256 -8.349 25125
12556 1 19 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.997 -0.216 25125
12557 1 19 . 1 1 35 35 ASN C C 35 175.139 175.139 176.885 -1.746 25125
12558 1 19 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.213 -0.067 25125
12559 1 19 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.085 1.238 25125
12560 1 19 . 1 1 35 35 ASN H H 35 7.401 7.401 8.078 -0.677 25125
12561 1 19 . 1 1 36 36 GLY N N 36 106.739 106.739 109.602 -2.863 25125
12562 1 19 . 1 1 36 36 GLY C C 36 174.616 174.616 175.856 -1.240 25125
12563 1 19 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.093 -0.077 25125
12564 1 19 . 1 1 36 36 GLY H H 36 8.877 8.877 8.878 -0.001 25125
12565 1 19 . 1 1 37 37 ASN N N 37 120.462 120.462 119.456 1.006 25125
12566 1 19 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.463 -0.101 25125
12567 1 19 . 1 1 37 37 ASN C C 37 178.686 178.686 176.412 2.274 25125
12568 1 19 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.599 0.933 25125
12569 1 19 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.189 -0.605 25125
12570 1 19 . 1 1 37 37 ASN H H 37 8.366 8.366 8.660 -0.294 25125
12571 1 19 . 1 1 38 38 GLU N N 38 119.360 119.360 118.314 1.046 25125
12572 1 19 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.233 -0.163 25125
12573 1 19 . 1 1 38 38 GLU C C 38 179.263 179.263 177.520 1.743 25125
12574 1 19 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.829 0.803 25125
12575 1 19 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.933 0.599 25125
12576 1 19 . 1 1 38 38 GLU H H 38 7.990 7.990 7.724 0.266 25125
12577 1 19 . 1 1 39 39 VAL N N 39 119.259 119.259 118.420 0.839 25125
12578 1 19 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.222 -0.454 25125
12579 1 19 . 1 1 39 39 VAL C C 39 176.431 176.431 177.251 -0.820 25125
12580 1 19 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.380 1.563 25125
12581 1 19 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.508 -0.433 25125
12582 1 19 . 1 1 39 39 VAL H H 39 6.883 6.883 7.757 -0.874 25125
12583 1 19 . 1 1 40 40 LEU N N 40 119.627 119.627 121.472 -1.845 25125
12584 1 19 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.905 0.022 25125
12585 1 19 . 1 1 40 40 LEU C C 40 179.538 179.538 178.757 0.781 25125
12586 1 19 . 1 1 40 40 LEU CA C 40 57.940 57.940 59.044 -1.104 25125
12587 1 19 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.404 -0.336 25125
12588 1 19 . 1 1 40 40 LEU H H 40 7.692 7.692 7.607 0.085 25125
12589 1 19 . 1 1 41 41 ALA N N 41 120.051 120.051 119.808 0.243 25125
12590 1 19 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.037 0.103 25125
12591 1 19 . 1 1 41 41 ALA C C 41 180.528 180.528 179.030 1.498 25125
12592 1 19 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.685 -0.035 25125
12593 1 19 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.045 -0.179 25125
12594 1 19 . 1 1 41 41 ALA H H 41 7.553 7.553 7.779 -0.226 25125
12595 1 19 . 1 1 42 42 ALA N N 42 122.731 122.731 121.006 1.725 25125
12596 1 19 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.153 0.046 25125
12597 1 19 . 1 1 42 42 ALA C C 42 180.198 180.198 179.869 0.329 25125
12598 1 19 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.542 0.490 25125
12599 1 19 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.004 1.395 25125
12600 1 19 . 1 1 42 42 ALA H H 42 7.604 7.604 7.576 0.028 25125
12601 1 19 . 1 1 43 43 LEU N N 43 119.131 119.131 118.500 0.631 25125
12602 1 19 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.083 1.123 25125
12603 1 19 . 1 1 43 43 LEU C C 43 177.421 177.421 178.909 -1.488 25125
12604 1 19 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.389 -1.843 25125
12605 1 19 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.480 1.124 25125
12606 1 19 . 1 1 43 43 LEU H H 43 8.288 8.288 7.823 0.465 25125
12607 1 19 . 1 1 44 44 ALA N N 44 119.065 119.065 118.179 0.886 25125
12608 1 19 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.116 0.113 25125
12609 1 19 . 1 1 44 44 ALA C C 44 178.686 178.686 179.038 -0.352 25125
12610 1 19 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.297 -0.059 25125
12611 1 19 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.544 -0.028 25125
12612 1 19 . 1 1 44 44 ALA H H 44 7.302 7.302 7.822 -0.520 25125
12613 1 19 . 1 1 45 45 SER N N 45 108.656 108.656 113.182 -4.526 25125
12614 1 19 . 1 1 45 45 SER HA H 45 4.742 4.742 4.483 0.259 25125
12615 1 19 . 1 1 45 45 SER C C 45 173.296 173.296 174.390 -1.094 25125
12616 1 19 . 1 1 45 45 SER CA C 45 58.656 58.656 59.790 -1.134 25125
12617 1 19 . 1 1 45 45 SER CB C 45 65.407 65.407 64.317 1.090 25125
12618 1 19 . 1 1 45 45 SER H H 45 7.728 7.728 7.725 0.003 25125
12619 1 19 . 1 1 46 46 LYS N N 46 123.016 123.016 120.598 2.418 25125
12620 1 19 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.433 0.153 25125
12621 1 19 . 1 1 46 46 LYS C C 46 172.719 172.719 175.287 -2.568 25125
12622 1 19 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.392 -0.879 25125
12623 1 19 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.486 2.739 25125
12624 1 19 . 1 1 46 46 LYS H H 46 8.101 8.101 7.391 0.710 25125
12625 1 19 . 1 1 47 47 THR N N 47 111.780 111.780 122.498 -10.718 25125
12626 1 19 . 1 1 47 47 THR HA H 47 4.282 4.282 4.145 0.137 25125
12627 1 19 . 1 1 47 47 THR CA C 47 57.806 57.806 61.369 -3.563 25125
12628 1 19 . 1 1 47 47 THR CB C 47 70.594 70.594 68.174 2.420 25125
12629 1 19 . 1 1 47 47 THR H H 47 7.677 7.677 8.184 -0.507 25125
12630 1 19 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.947 -0.042 25125
12631 1 19 . 1 1 48 48 PRO C C 48 172.966 172.966 175.272 -2.306 25125
12632 1 19 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.155 -1.290 25125
12633 1 19 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.623 -1.346 25125
12634 1 19 . 1 1 49 49 ASP N N 49 115.035 115.035 117.297 -2.262 25125
12635 1 19 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.766 -0.322 25125
12636 1 19 . 1 1 49 49 ASP C C 49 175.634 175.634 175.510 0.124 25125
12637 1 19 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.688 1.759 25125
12638 1 19 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.210 -0.698 25125
12639 1 19 . 1 1 49 49 ASP H H 49 8.502 8.502 7.995 0.507 25125
12640 1 19 . 1 1 50 50 VAL N N 50 112.082 112.082 116.052 -3.970 25125
12641 1 19 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.678 -0.398 25125
12642 1 19 . 1 1 50 50 VAL C C 50 171.454 171.454 173.081 -1.627 25125
12643 1 19 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.066 -0.504 25125
12644 1 19 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.724 -0.087 25125
12645 1 19 . 1 1 50 50 VAL H H 50 7.173 7.173 7.200 -0.027 25125
12646 1 19 . 1 1 51 51 LEU N N 51 128.247 128.247 123.098 5.149 25125
12647 1 19 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.344 -0.025 25125
12648 1 19 . 1 1 51 51 LEU C C 51 173.104 173.104 175.600 -2.496 25125
12649 1 19 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.312 -0.094 25125
12650 1 19 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.302 0.204 25125
12651 1 19 . 1 1 51 51 LEU H H 51 8.059 8.059 7.867 0.192 25125
12652 1 19 . 1 1 52 52 LEU N N 52 128.407 128.407 120.687 7.720 25125
12653 1 19 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.711 0.790 25125
12654 1 19 . 1 1 52 52 LEU C C 52 175.414 175.414 176.176 -0.762 25125
12655 1 19 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.101 0.222 25125
12656 1 19 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.329 2.192 25125
12657 1 19 . 1 1 52 52 LEU H H 52 9.242 9.242 8.155 1.087 25125
12658 1 19 . 1 1 53 53 SER N N 53 114.946 114.946 116.826 -1.880 25125
12659 1 19 . 1 1 53 53 SER HA H 53 5.595 5.595 4.263 1.332 25125
12660 1 19 . 1 1 53 53 SER C C 53 174.644 174.644 173.984 0.660 25125
12661 1 19 . 1 1 53 53 SER CA C 53 55.954 55.954 58.999 -3.045 25125
12662 1 19 . 1 1 53 53 SER CB C 53 66.473 66.473 64.397 2.076 25125
12663 1 19 . 1 1 53 53 SER H H 53 8.695 8.695 7.937 0.758 25125
12664 1 19 . 1 1 54 54 ASP N N 54 128.341 128.341 125.357 2.984 25125
12665 1 19 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.789 0.536 25125
12666 1 19 . 1 1 54 54 ASP C C 54 176.816 176.816 176.302 0.514 25125
12667 1 19 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.428 1.065 25125
12668 1 19 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.049 -0.721 25125
12669 1 19 . 1 1 54 54 ASP H H 54 7.886 7.886 7.917 -0.031 25125
12670 1 19 . 1 1 55 55 ILE N N 55 121.229 121.229 118.174 3.055 25125
12671 1 19 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.768 0.416 25125
12672 1 19 . 1 1 55 55 ILE C C 55 175.084 175.084 174.148 0.936 25125
12673 1 19 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.977 -0.436 25125
12674 1 19 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.113 2.916 25125
12675 1 19 . 1 1 55 55 ILE H H 55 8.722 8.722 8.091 0.631 25125
12676 1 19 . 1 1 56 56 ARG N N 56 124.188 124.188 121.587 2.601 25125
12677 1 19 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.548 -0.043 25125
12678 1 19 . 1 1 56 56 ARG C C 56 175.661 175.661 174.761 0.900 25125
12679 1 19 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.469 -0.028 25125
12680 1 19 . 1 1 56 56 ARG CB C 56 30.362 30.362 32.060 -1.698 25125
12681 1 19 . 1 1 56 56 ARG H H 56 8.499 8.499 8.493 0.006 25125
12682 1 19 . 1 1 57 57 MET N N 57 122.581 122.581 116.523 6.058 25125
12683 1 19 . 1 1 57 57 MET HA H 57 4.821 4.821 5.182 -0.361 25125
12684 1 19 . 1 1 57 57 MET CA C 57 53.132 53.132 52.190 0.942 25125
12685 1 19 . 1 1 57 57 MET CB C 57 33.445 33.445 32.567 0.878 25125
12686 1 19 . 1 1 57 57 MET H H 57 7.956 7.956 7.772 0.184 25125
12687 1 19 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.513 -0.120 25125
12688 1 19 . 1 1 58 58 PRO C C 58 177.806 177.806 178.305 -0.499 25125
12689 1 19 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.005 0.494 25125
12690 1 19 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.583 -0.776 25125
12691 1 19 . 1 1 59 59 GLY N N 59 111.082 111.082 107.181 3.901 25125
12692 1 19 . 1 1 59 59 GLY C C 59 173.626 173.626 174.591 -0.965 25125
12693 1 19 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.783 -0.193 25125
12694 1 19 . 1 1 59 59 GLY H H 59 8.653 8.653 8.533 0.120 25125
12695 1 19 . 1 1 60 60 MET N N 60 120.052 120.052 122.127 -2.075 25125
12696 1 19 . 1 1 60 60 MET HA H 60 4.525 4.525 4.424 0.101 25125
12697 1 19 . 1 1 60 60 MET C C 60 173.956 173.956 175.596 -1.640 25125
12698 1 19 . 1 1 60 60 MET CA C 60 55.047 55.047 55.504 -0.457 25125
12699 1 19 . 1 1 60 60 MET CB C 60 34.506 34.506 33.376 1.130 25125
12700 1 19 . 1 1 60 60 MET H H 60 7.968 7.968 8.023 -0.055 25125
12701 1 19 . 1 1 61 61 ASP N N 61 121.306 121.306 120.563 0.743 25125
12702 1 19 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.749 -0.045 25125
12703 1 19 . 1 1 61 61 ASP C C 61 176.761 176.761 177.295 -0.534 25125
12704 1 19 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.180 -0.451 25125
12705 1 19 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.286 -0.217 25125
12706 1 19 . 1 1 61 61 ASP H H 61 8.379 8.379 8.450 -0.071 25125
12707 1 19 . 1 1 62 62 GLY N N 62 110.874 110.874 108.612 2.262 25125
12708 1 19 . 1 1 62 62 GLY C C 62 175.194 175.194 175.841 -0.647 25125
12709 1 19 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.641 0.460 25125
12710 1 19 . 1 1 62 62 GLY H H 62 8.707 8.707 8.406 0.301 25125
12711 1 19 . 1 1 63 63 LEU N N 63 121.299 121.299 121.047 0.252 25125
12712 1 19 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.621 -0.444 25125
12713 1 19 . 1 1 63 63 LEU C C 63 178.356 178.356 178.183 0.173 25125
12714 1 19 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.798 1.080 25125
12715 1 19 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.513 0.725 25125
12716 1 19 . 1 1 63 63 LEU H H 63 8.045 8.045 7.712 0.333 25125
12717 1 19 . 1 1 64 64 ALA N N 64 122.741 122.741 123.332 -0.591 25125
12718 1 19 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.052 0.010 25125
12719 1 19 . 1 1 64 64 ALA C C 64 180.556 180.556 179.142 1.414 25125
12720 1 19 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.209 -0.594 25125
12721 1 19 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.131 -0.131 25125
12722 1 19 . 1 1 64 64 ALA H H 64 7.859 7.859 8.193 -0.334 25125
12723 1 19 . 1 1 65 65 LEU N N 65 120.287 120.287 115.043 5.244 25125
12724 1 19 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.446 -0.384 25125
12725 1 19 . 1 1 65 65 LEU C C 65 178.191 178.191 178.645 -0.454 25125
12726 1 19 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.828 1.191 25125
12727 1 19 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.126 -0.888 25125
12728 1 19 . 1 1 65 65 LEU H H 65 8.022 8.022 7.642 0.380 25125
12729 1 19 . 1 1 66 66 LEU N N 66 118.738 118.738 121.067 -2.329 25125
12730 1 19 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.092 -0.234 25125
12731 1 19 . 1 1 66 66 LEU C C 66 178.631 178.631 178.958 -0.327 25125
12732 1 19 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.985 1.361 25125
12733 1 19 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.749 0.489 25125
12734 1 19 . 1 1 66 66 LEU H H 66 8.101 8.101 7.665 0.436 25125
12735 1 19 . 1 1 67 67 LYS N N 67 117.842 117.842 117.774 0.068 25125
12736 1 19 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.348 -0.366 25125
12737 1 19 . 1 1 67 67 LYS C C 67 179.263 179.263 179.055 0.208 25125
12738 1 19 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.189 0.608 25125
12739 1 19 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.375 -0.168 25125
12740 1 19 . 1 1 67 67 LYS H H 67 8.010 8.010 8.406 -0.396 25125
12741 1 19 . 1 1 68 68 GLN N N 68 118.875 118.875 118.767 0.108 25125
12742 1 19 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.262 -0.206 25125
12743 1 19 . 1 1 68 68 GLN C C 68 179.071 179.071 177.822 1.249 25125
12744 1 19 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.038 1.035 25125
12745 1 19 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.066 0.545 25125
12746 1 19 . 1 1 68 68 GLN H H 68 7.809 7.809 7.744 0.065 25125
12747 1 19 . 1 1 69 69 ILE N N 69 120.377 120.377 121.285 -0.908 25125
12748 1 19 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.781 -0.251 25125
12749 1 19 . 1 1 69 69 ILE C C 69 177.421 177.421 178.098 -0.677 25125
12750 1 19 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.161 0.717 25125
12751 1 19 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.480 0.103 25125
12752 1 19 . 1 1 69 69 ILE H H 69 8.481 8.481 7.835 0.646 25125
12753 1 19 . 1 1 70 70 LYS N N 70 117.873 117.873 118.455 -0.582 25125
12754 1 19 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.134 -0.174 25125
12755 1 19 . 1 1 70 70 LYS C C 70 178.053 178.053 178.138 -0.085 25125
12756 1 19 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.361 -1.274 25125
12757 1 19 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.881 -0.669 25125
12758 1 19 . 1 1 70 70 LYS H H 70 8.220 8.220 7.621 0.599 25125
12759 1 19 . 1 1 71 71 GLN N N 71 116.315 116.315 116.438 -0.123 25125
12760 1 19 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.163 -0.171 25125
12761 1 19 . 1 1 71 71 GLN C C 71 177.366 177.366 178.137 -0.771 25125
12762 1 19 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.960 0.230 25125
12763 1 19 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.896 -0.231 25125
12764 1 19 . 1 1 71 71 GLN H H 71 7.601 7.601 7.814 -0.213 25125
12765 1 19 . 1 1 72 72 ARG N N 72 116.530 116.530 116.733 -0.203 25125
12766 1 19 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.120 -0.090 25125
12767 1 19 . 1 1 72 72 ARG C C 72 175.826 175.826 175.533 0.293 25125
12768 1 19 . 1 1 72 72 ARG CA C 72 57.222 57.222 56.692 0.530 25125
12769 1 19 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.966 -0.164 25125
12770 1 19 . 1 1 72 72 ARG H H 72 7.301 7.301 8.050 -0.749 25125
12771 1 19 . 1 1 73 73 HIS N N 73 116.755 116.755 115.999 0.756 25125
12772 1 19 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.979 -0.019 25125
12773 1 19 . 1 1 73 73 HIS CA C 73 53.218 53.218 54.006 -0.788 25125
12774 1 19 . 1 1 73 73 HIS CB C 73 30.562 30.562 31.054 -0.492 25125
12775 1 19 . 1 1 73 73 HIS H H 73 8.331 8.331 7.736 0.595 25125
12776 1 19 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.444 0.055 25125
12777 1 19 . 1 1 74 74 PRO C C 74 178.466 178.466 176.773 1.693 25125
12778 1 19 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.546 0.567 25125
12779 1 19 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.276 -0.181 25125
12780 1 19 . 1 1 75 75 MET N N 75 114.814 114.814 112.774 2.040 25125
12781 1 19 . 1 1 75 75 MET HA H 75 4.567 4.567 4.683 -0.116 25125
12782 1 19 . 1 1 75 75 MET C C 75 176.046 176.046 175.511 0.535 25125
12783 1 19 . 1 1 75 75 MET CA C 75 54.266 54.266 55.117 -0.851 25125
12784 1 19 . 1 1 75 75 MET CB C 75 31.288 31.288 33.136 -1.848 25125
12785 1 19 . 1 1 75 75 MET H H 75 8.623 8.623 7.534 1.089 25125
12786 1 19 . 1 1 76 76 LEU N N 76 125.533 125.533 124.440 1.093 25125
12787 1 19 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.713 -0.408 25125
12788 1 19 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.372 1.740 25125
12789 1 19 . 1 1 76 76 LEU CB C 76 43.685 43.685 44.326 -0.641 25125
12790 1 19 . 1 1 76 76 LEU H H 76 7.337 7.337 7.335 0.002 25125
12791 1 19 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.570 -0.124 25125
12792 1 19 . 1 1 77 77 PRO C C 77 174.974 174.974 175.076 -0.102 25125
12793 1 19 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.640 0.187 25125
12794 1 19 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.353 -0.631 25125
12795 1 19 . 1 1 78 78 VAL N N 78 123.779 123.779 120.366 3.413 25125
12796 1 19 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.337 0.687 25125
12797 1 19 . 1 1 78 78 VAL C C 78 175.441 175.441 175.533 -0.092 25125
12798 1 19 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.859 -0.666 25125
12799 1 19 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.680 -1.386 25125
12800 1 19 . 1 1 78 78 VAL H H 78 8.317 8.317 8.349 -0.032 25125
12801 1 19 . 1 1 79 79 ILE N N 79 128.334 128.334 122.900 5.434 25125
12802 1 19 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.729 -0.248 25125
12803 1 19 . 1 1 79 79 ILE C C 79 174.479 174.479 174.840 -0.361 25125
12804 1 19 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.290 -0.768 25125
12805 1 19 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.875 -1.912 25125
12806 1 19 . 1 1 79 79 ILE H H 79 9.292 9.292 7.982 1.310 25125
12807 1 19 . 1 1 80 80 ILE N N 80 127.023 127.023 125.504 1.519 25125
12808 1 19 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.560 0.299 25125
12809 1 19 . 1 1 80 80 ILE C C 80 175.029 175.029 175.349 -0.320 25125
12810 1 19 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.341 -1.184 25125
12811 1 19 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.396 -1.452 25125
12812 1 19 . 1 1 80 80 ILE H H 80 7.938 7.938 8.834 -0.896 25125
12813 1 19 . 1 1 81 81 MET N N 81 127.255 127.255 125.724 1.531 25125
12814 1 19 . 1 1 81 81 MET HA H 81 5.521 5.521 5.708 -0.187 25125
12815 1 19 . 1 1 81 81 MET C C 81 174.534 174.534 175.640 -1.106 25125
12816 1 19 . 1 1 81 81 MET CA C 81 53.513 53.513 55.029 -1.516 25125
12817 1 19 . 1 1 81 81 MET CB C 81 35.483 35.483 35.571 -0.088 25125
12818 1 19 . 1 1 81 81 MET H H 81 8.801 8.801 8.210 0.591 25125
12819 1 19 . 1 1 82 82 THR N N 82 112.857 112.857 117.922 -5.065 25125
12820 1 19 . 1 1 82 82 THR HA H 82 4.914 4.914 4.496 0.418 25125
12821 1 19 . 1 1 82 82 THR C C 82 172.581 172.581 173.316 -0.735 25125
12822 1 19 . 1 1 82 82 THR CA C 82 59.561 59.561 63.358 -3.797 25125
12823 1 19 . 1 1 82 82 THR CB C 82 69.989 69.989 69.770 0.219 25125
12824 1 19 . 1 1 82 82 THR H H 82 7.623 7.623 8.121 -0.498 25125
12825 1 19 . 1 1 83 83 ALA N N 83 129.541 129.541 125.931 3.610 25125
12826 1 19 . 1 1 83 83 ALA HA H 83 4.708 4.708 4.006 0.702 25125
12827 1 19 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.791 -1.254 25125
12828 1 19 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.802 2.345 25125
12829 1 19 . 1 1 83 83 ALA H H 83 9.149 9.149 8.320 0.829 25125
12830 1 19 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.557 -0.285 25125
12831 1 19 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.970 3.730 25125
12832 1 19 . 1 1 84 84 HIS CB C 84 30.018 30.018 31.025 -1.007 25125
12833 1 19 . 1 1 85 85 SER N N 85 112.633 112.633 114.491 -1.858 25125
12834 1 19 . 1 1 85 85 SER HA H 85 4.198 4.198 4.460 -0.262 25125
12835 1 19 . 1 1 85 85 SER C C 85 174.506 174.506 173.082 1.424 25125
12836 1 19 . 1 1 85 85 SER CA C 85 59.823 59.823 58.883 0.940 25125
12837 1 19 . 1 1 85 85 SER CB C 85 62.693 62.693 64.037 -1.345 25125
12838 1 19 . 1 1 85 85 SER H H 85 8.224 8.224 7.229 0.995 25125
12839 1 19 . 1 1 86 86 ASP N N 86 120.886 120.886 120.668 0.218 25125
12840 1 19 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.649 0.287 25125
12841 1 19 . 1 1 86 86 ASP C C 86 175.881 175.881 176.565 -0.684 25125
12842 1 19 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.825 -0.891 25125
12843 1 19 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.486 0.517 25125
12844 1 19 . 1 1 86 86 ASP H H 86 7.608 7.608 8.068 -0.460 25125
12845 1 19 . 1 1 87 87 LEU N N 87 121.913 121.913 121.045 0.868 25125
12846 1 19 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.592 0.327 25125
12847 1 19 . 1 1 87 87 LEU C C 87 177.586 177.586 177.945 -0.359 25125
12848 1 19 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.674 -0.837 25125
12849 1 19 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.438 0.877 25125
12850 1 19 . 1 1 87 87 LEU H H 87 7.498 7.498 8.073 -0.575 25125
12851 1 19 . 1 1 88 88 ASP N N 88 117.621 117.621 117.625 -0.004 25125
12852 1 19 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.207 0.065 25125
12853 1 19 . 1 1 88 88 ASP C C 88 178.246 178.246 177.311 0.935 25125
12854 1 19 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.242 -0.432 25125
12855 1 19 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.292 -0.158 25125
12856 1 19 . 1 1 88 88 ASP H H 88 8.322 8.322 8.492 -0.170 25125
12857 1 19 . 1 1 89 89 ALA N N 89 122.874 122.874 121.053 1.821 25125
12858 1 19 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.346 -0.252 25125
12859 1 19 . 1 1 89 89 ALA C C 89 179.346 179.346 179.443 -0.097 25125
12860 1 19 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.345 -0.192 25125
12861 1 19 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.782 -0.520 25125
12862 1 19 . 1 1 89 89 ALA H H 89 7.838 7.838 7.543 0.295 25125
12863 1 19 . 1 1 90 90 ALA N N 90 121.673 121.673 122.201 -0.528 25125
12864 1 19 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.081 -0.148 25125
12865 1 19 . 1 1 90 90 ALA C C 90 178.686 178.686 179.821 -1.135 25125
12866 1 19 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.043 -0.380 25125
12867 1 19 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.047 0.335 25125
12868 1 19 . 1 1 90 90 ALA H H 90 7.896 7.896 8.347 -0.451 25125
12869 1 19 . 1 1 91 91 VAL N N 91 117.749 117.749 116.940 0.809 25125
12870 1 19 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.934 -0.322 25125
12871 1 19 . 1 1 91 91 VAL C C 91 178.411 178.411 177.238 1.173 25125
12872 1 19 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.595 -1.414 25125
12873 1 19 . 1 1 91 91 VAL CB C 91 31.637 31.637 32.025 -0.388 25125
12874 1 19 . 1 1 91 91 VAL H H 91 8.098 8.098 8.505 -0.407 25125
12875 1 19 . 1 1 92 92 SER N N 92 114.942 114.942 113.427 1.515 25125
12876 1 19 . 1 1 92 92 SER HA H 92 4.231 4.231 4.417 -0.186 25125
12877 1 19 . 1 1 92 92 SER C C 92 175.826 175.826 175.416 0.410 25125
12878 1 19 . 1 1 92 92 SER CA C 92 60.649 60.649 59.915 0.734 25125
12879 1 19 . 1 1 92 92 SER CB C 92 63.063 63.063 64.601 -1.538 25125
12880 1 19 . 1 1 92 92 SER H H 92 7.825 7.825 7.813 0.012 25125
12881 1 19 . 1 1 93 93 ALA N N 93 122.580 122.580 122.863 -0.283 25125
12882 1 19 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.201 -0.144 25125
12883 1 19 . 1 1 93 93 ALA C C 93 178.906 178.906 179.641 -0.735 25125
12884 1 19 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.504 -0.187 25125
12885 1 19 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.699 -0.402 25125
12886 1 19 . 1 1 93 93 ALA H H 93 7.861 7.861 8.387 -0.526 25125
12887 1 19 . 1 1 94 94 TYR N N 94 118.447 118.447 120.732 -2.285 25125
12888 1 19 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.282 0.210 25125
12889 1 19 . 1 1 94 94 TYR C C 94 177.393 177.393 177.474 -0.081 25125
12890 1 19 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.884 -0.633 25125
12891 1 19 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.389 0.045 25125
12892 1 19 . 1 1 94 94 TYR H H 94 8.150 8.150 7.921 0.229 25125
12893 1 19 . 1 1 95 95 GLN N N 95 119.787 119.787 115.770 4.017 25125
12894 1 19 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.017 0.026 25125
12895 1 19 . 1 1 95 95 GLN C C 95 176.981 176.981 176.379 0.602 25125
12896 1 19 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.753 0.713 25125
12897 1 19 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.930 0.159 25125
12898 1 19 . 1 1 95 95 GLN H H 95 8.271 8.271 8.035 0.236 25125
12899 1 19 . 1 1 96 96 GLN N N 96 117.878 117.878 117.860 0.018 25125
12900 1 19 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.227 0.118 25125
12901 1 19 . 1 1 96 96 GLN C C 96 175.854 175.854 176.417 -0.563 25125
12902 1 19 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.424 -0.253 25125
12903 1 19 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.260 0.215 25125
12904 1 19 . 1 1 96 96 GLN H H 96 7.944 7.944 7.794 0.150 25125
12905 1 19 . 1 1 97 97 GLY N N 97 106.670 106.670 105.965 0.705 25125
12906 1 19 . 1 1 97 97 GLY C C 97 174.231 174.231 173.121 1.110 25125
12907 1 19 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.550 0.936 25125
12908 1 19 . 1 1 97 97 GLY H H 97 7.949 7.949 7.918 0.031 25125
12909 1 19 . 1 1 98 98 ALA N N 98 122.898 122.898 120.770 2.128 25125
12910 1 19 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.418 -0.043 25125
12911 1 19 . 1 1 98 98 ALA C C 98 175.991 175.991 175.614 0.377 25125
12912 1 19 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.044 2.123 25125
12913 1 19 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.275 -1.306 25125
12914 1 19 . 1 1 98 98 ALA H H 98 7.808 7.808 7.127 0.681 25125
12915 1 19 . 1 1 99 99 PHE N N 99 123.484 123.484 118.888 4.596 25125
12916 1 19 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.451 -0.101 25125
12917 1 19 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.264 2.192 25125
12918 1 19 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.210 -0.770 25125
12919 1 19 . 1 1 99 99 PHE H H 99 7.704 7.704 8.338 -0.634 25125
12920 1 19 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.893 0.611 25125
12921 1 19 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.554 -2.072 25125
12922 1 19 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.057 4.143 25125
12923 1 19 . 1 1 101 101 TYR N N 101 118.148 118.148 120.550 -2.402 25125
12924 1 19 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.493 0.955 25125
12925 1 19 . 1 1 101 101 TYR C C 101 173.159 173.159 174.592 -1.433 25125
12926 1 19 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.554 -0.567 25125
12927 1 19 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.679 3.219 25125
12928 1 19 . 1 1 101 101 TYR H H 101 9.546 9.546 7.351 2.195 25125
12929 1 19 . 1 1 102 102 LEU N N 102 124.100 124.100 119.854 4.246 25125
12930 1 19 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.146 -0.426 25125
12931 1 19 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.527 -1.028 25125
12932 1 19 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.705 -0.644 25125
12933 1 19 . 1 1 102 102 LEU H H 102 8.901 8.901 8.833 0.068 25125
12934 1 19 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.646 0.247 25125
12935 1 19 . 1 1 103 103 PRO C C 103 175.524 175.524 175.762 -0.238 25125
12936 1 19 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.299 -0.414 25125
12937 1 19 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.249 -0.442 25125
12938 1 19 . 1 1 104 104 LYS N N 104 118.848 118.848 121.663 -2.815 25125
12939 1 19 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.838 -0.325 25125
12940 1 19 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.955 -0.737 25125
12941 1 19 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.968 0.776 25125
12942 1 19 . 1 1 104 104 LYS H H 104 8.279 8.279 8.039 0.240 25125
12943 1 19 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.479 -0.180 25125
12944 1 19 . 1 1 105 105 PRO C C 105 175.001 175.001 175.254 -0.253 25125
12945 1 19 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.730 -0.336 25125
12946 1 19 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.063 2.032 25125
12947 1 19 . 1 1 106 106 PHE N N 106 116.607 116.607 114.987 1.620 25125
12948 1 19 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.866 0.304 25125
12949 1 19 . 1 1 106 106 PHE C C 106 175.221 175.221 174.340 0.881 25125
12950 1 19 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.488 -2.053 25125
12951 1 19 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.747 -0.347 25125
12952 1 19 . 1 1 106 106 PHE H H 106 7.457 7.457 7.429 0.028 25125
12953 1 19 . 1 1 107 107 ASP N N 107 122.214 122.214 122.984 -0.770 25125
12954 1 19 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.954 -0.122 25125
12955 1 19 . 1 1 107 107 ASP C C 107 177.778 177.778 177.439 0.339 25125
12956 1 19 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.954 -0.712 25125
12957 1 19 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.240 1.357 25125
12958 1 19 . 1 1 107 107 ASP H H 107 9.022 9.022 8.601 0.421 25125
12959 1 19 . 1 1 108 108 ILE N N 108 127.706 127.706 125.893 1.813 25125
12960 1 19 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.742 0.223 25125
12961 1 19 . 1 1 108 108 ILE C C 108 176.046 176.046 177.212 -1.166 25125
12962 1 19 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.135 -2.146 25125
12963 1 19 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.137 -0.383 25125
12964 1 19 . 1 1 108 108 ILE H H 108 8.860 8.860 8.671 0.189 25125
12965 1 19 . 1 1 109 109 ASP N N 109 120.058 120.058 118.710 1.348 25125
12966 1 19 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.337 0.051 25125
12967 1 19 . 1 1 109 109 ASP C C 109 179.786 179.786 178.452 1.334 25125
12968 1 19 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.609 -0.115 25125
12969 1 19 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.407 -0.353 25125
12970 1 19 . 1 1 109 109 ASP H H 109 8.079 8.079 8.549 -0.470 25125
12971 1 19 . 1 1 110 110 GLU N N 110 121.559 121.559 119.288 2.271 25125
12972 1 19 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.245 -0.177 25125
12973 1 19 . 1 1 110 110 GLU C C 110 179.043 179.043 178.386 0.657 25125
12974 1 19 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.194 0.632 25125
12975 1 19 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.020 -0.677 25125
12976 1 19 . 1 1 110 110 GLU H H 110 8.012 8.012 7.941 0.071 25125
12977 1 19 . 1 1 111 111 ALA N N 111 122.267 122.267 123.061 -0.794 25125
12978 1 19 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.082 -0.328 25125
12979 1 19 . 1 1 111 111 ALA C C 111 178.493 178.493 179.410 -0.917 25125
12980 1 19 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.066 0.106 25125
12981 1 19 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.411 -0.029 25125
12982 1 19 . 1 1 111 111 ALA H H 111 7.897 7.897 8.387 -0.490 25125
12983 1 19 . 1 1 112 112 VAL N N 112 116.527 116.527 118.130 -1.603 25125
12984 1 19 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.584 -0.417 25125
12985 1 19 . 1 1 112 112 VAL C C 112 177.201 177.201 177.631 -0.430 25125
12986 1 19 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.215 0.930 25125
12987 1 19 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.565 -0.013 25125
12988 1 19 . 1 1 112 112 VAL H H 112 8.018 8.018 8.494 -0.476 25125
12989 1 19 . 1 1 113 113 ALA N N 113 119.895 119.895 120.237 -0.342 25125
12990 1 19 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.274 -0.136 25125
12991 1 19 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.163 0.669 25125
12992 1 19 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.558 -0.687 25125
12993 1 19 . 1 1 113 113 ALA H H 113 7.673 7.673 7.725 -0.052 25125
12994 1 19 . 1 1 114 114 LEU N N 114 120.650 120.650 119.242 1.408 25125
12995 1 19 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.302 -0.219 25125
12996 1 19 . 1 1 114 114 LEU C C 114 178.466 178.466 178.234 0.232 25125
12997 1 19 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.550 0.470 25125
12998 1 19 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.212 -0.379 25125
12999 1 19 . 1 1 114 114 LEU H H 114 7.840 7.840 7.493 0.347 25125
13000 1 19 . 1 1 115 115 VAL N N 115 119.480 119.480 119.285 0.195 25125
13001 1 19 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.436 -0.224 25125
13002 1 19 . 1 1 115 115 VAL C C 115 177.448 177.448 176.855 0.593 25125
13003 1 19 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.893 1.308 25125
13004 1 19 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.881 -1.209 25125
13005 1 19 . 1 1 115 115 VAL H H 115 7.824 7.824 7.970 -0.146 25125
13006 1 19 . 1 1 116 116 GLU N N 116 117.473 117.473 118.513 -1.040 25125
13007 1 19 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.999 -0.210 25125
13008 1 19 . 1 1 116 116 GLU C C 116 179.566 179.566 178.054 1.512 25125
13009 1 19 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.050 0.880 25125
13010 1 19 . 1 1 116 116 GLU CB C 116 29.096 29.096 28.740 0.356 25125
13011 1 19 . 1 1 116 116 GLU H H 116 8.465 8.465 7.906 0.559 25125
13012 1 19 . 1 1 117 117 ARG N N 117 120.128 120.128 119.675 0.453 25125
13013 1 19 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.121 -0.057 25125
13014 1 19 . 1 1 117 117 ARG C C 117 178.438 178.438 177.715 0.723 25125
13015 1 19 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.748 0.529 25125
13016 1 19 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.975 0.302 25125
13017 1 19 . 1 1 117 117 ARG H H 117 8.012 8.012 7.461 0.551 25125
13018 1 19 . 1 1 118 118 ALA N N 118 122.270 122.270 120.762 1.508 25125
13019 1 19 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.951 -0.495 25125
13020 1 19 . 1 1 118 118 ALA C C 118 178.741 178.741 178.469 0.272 25125
13021 1 19 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.938 0.640 25125
13022 1 19 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.429 -0.271 25125
13023 1 19 . 1 1 118 118 ALA H H 118 7.958 7.958 7.165 0.793 25125
13024 1 19 . 1 1 119 119 ILE N N 119 115.269 115.269 117.577 -2.308 25125
13025 1 19 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.948 -0.220 25125
13026 1 19 . 1 1 119 119 ILE C C 119 177.366 177.366 177.993 -0.627 25125
13027 1 19 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.500 -0.831 25125
13028 1 19 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.623 -0.826 25125
13029 1 19 . 1 1 119 119 ILE H H 119 7.753 7.753 7.285 0.468 25125
13030 1 19 . 1 1 120 120 SER N N 120 115.135 115.135 115.179 -0.044 25125
13031 1 19 . 1 1 120 120 SER HA H 120 4.275 4.275 4.204 0.071 25125
13032 1 19 . 1 1 120 120 SER C C 120 175.084 175.084 175.541 -0.457 25125
13033 1 19 . 1 1 120 120 SER CA C 120 59.816 59.816 61.486 -1.670 25125
13034 1 19 . 1 1 120 120 SER CB C 120 63.380 63.380 62.884 0.496 25125
13035 1 19 . 1 1 120 120 SER H H 120 7.816 7.816 8.183 -0.367 25125
13036 1 19 . 1 1 121 121 HIS N N 121 119.908 119.908 118.522 1.386 25125
13037 1 19 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.148 0.274 25125
13038 1 19 . 1 1 121 121 HIS C C 121 175.029 175.029 175.719 -0.690 25125
13039 1 19 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.513 -1.277 25125
13040 1 19 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.837 -0.409 25125
13041 1 19 . 1 1 121 121 HIS H H 121 7.910 7.910 7.613 0.297 25125
13042 1 19 . 1 1 122 122 TYR N N 122 118.880 118.880 116.851 2.029 25125
13043 1 19 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.545 -0.119 25125
13044 1 19 . 1 1 122 122 TYR C C 122 175.276 175.276 177.617 -2.341 25125
13045 1 19 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.856 -0.407 25125
13046 1 19 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.559 0.044 25125
13047 1 19 . 1 1 122 122 TYR H H 122 7.766 7.766 7.797 -0.031 25125
13048 1 19 . 1 1 123 123 GLN N N 123 121.479 121.479 119.201 2.278 25125
13049 1 19 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.168 0.102 25125
13050 1 19 . 1 1 123 123 GLN C C 123 174.534 174.534 176.176 -1.642 25125
13051 1 19 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.385 -1.873 25125
13052 1 19 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.453 0.315 25125
13053 1 19 . 1 1 123 123 GLN H H 123 7.878 7.878 8.021 -0.143 25125
13054 1 20 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.041 0.392 25125
13055 1 20 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.481 -0.917 25125
13056 1 20 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.834 2.766 25125
13057 1 20 . 1 1 3 3 ARG N N 3 121.252 121.252 116.908 4.344 25125
13058 1 20 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.170 0.195 25125
13059 1 20 . 1 1 3 3 ARG C C 3 175.634 175.634 175.664 -0.030 25125
13060 1 20 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.964 -0.973 25125
13061 1 20 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.230 1.067 25125
13062 1 20 . 1 1 3 3 ARG H H 3 8.429 8.429 8.037 0.392 25125
13063 1 20 . 1 1 4 4 GLY N N 4 107.663 107.663 108.404 -0.741 25125
13064 1 20 . 1 1 4 4 GLY C C 4 171.041 171.041 173.122 -2.081 25125
13065 1 20 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.354 0.962 25125
13066 1 20 . 1 1 4 4 GLY H H 4 7.963 7.963 7.697 0.266 25125
13067 1 20 . 1 1 5 5 ILE N N 5 122.603 122.603 125.319 -2.716 25125
13068 1 20 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.009 0.690 25125
13069 1 20 . 1 1 5 5 ILE C C 5 175.359 175.359 175.006 0.353 25125
13070 1 20 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.705 -1.095 25125
13071 1 20 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.469 0.107 25125
13072 1 20 . 1 1 5 5 ILE H H 5 9.610 9.610 8.338 1.272 25125
13073 1 20 . 1 1 6 6 VAL N N 6 127.905 127.905 125.639 2.266 25125
13074 1 20 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.766 0.046 25125
13075 1 20 . 1 1 6 6 VAL C C 6 174.204 174.204 175.250 -1.046 25125
13076 1 20 . 1 1 6 6 VAL CA C 6 59.559 59.559 61.199 -1.640 25125
13077 1 20 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.928 0.598 25125
13078 1 20 . 1 1 6 6 VAL H H 6 9.090 9.090 7.968 1.122 25125
13079 1 20 . 1 1 7 7 TRP N N 7 127.467 127.467 128.807 -1.340 25125
13080 1 20 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.148 1.306 25125
13081 1 20 . 1 1 7 7 TRP C C 7 175.056 175.056 175.450 -0.394 25125
13082 1 20 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.495 -1.617 25125
13083 1 20 . 1 1 7 7 TRP CB C 7 33.134 33.134 30.557 2.577 25125
13084 1 20 . 1 1 7 7 TRP H H 7 8.497 8.497 8.216 0.281 25125
13085 1 20 . 1 1 8 8 VAL N N 8 122.068 122.068 122.461 -0.393 25125
13086 1 20 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.481 0.605 25125
13087 1 20 . 1 1 8 8 VAL C C 8 173.874 173.874 174.780 -0.906 25125
13088 1 20 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.403 -0.917 25125
13089 1 20 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.054 1.661 25125
13090 1 20 . 1 1 8 8 VAL H H 8 8.583 8.583 8.863 -0.280 25125
13091 1 20 . 1 1 9 9 VAL N N 9 127.733 127.733 124.416 3.317 25125
13092 1 20 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.418 0.543 25125
13093 1 20 . 1 1 9 9 VAL C C 9 173.131 173.131 173.361 -0.230 25125
13094 1 20 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.711 -1.036 25125
13095 1 20 . 1 1 9 9 VAL CB C 9 32.911 32.911 35.321 -2.410 25125
13096 1 20 . 1 1 9 9 VAL H H 9 9.107 9.107 7.889 1.218 25125
13097 1 20 . 1 1 10 10 ASP N N 10 124.306 124.306 124.574 -0.268 25125
13098 1 20 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.785 -0.216 25125
13099 1 20 . 1 1 10 10 ASP C C 10 175.029 175.029 174.926 0.103 25125
13100 1 20 . 1 1 10 10 ASP CA C 10 54.747 54.747 55.982 -1.235 25125
13101 1 20 . 1 1 10 10 ASP CB C 10 44.109 44.109 41.784 2.325 25125
13102 1 20 . 1 1 10 10 ASP H H 10 7.775 7.775 8.283 -0.508 25125
13103 1 20 . 1 1 11 11 ASP N N 11 126.714 126.714 116.496 10.218 25125
13104 1 20 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.799 -0.264 25125
13105 1 20 . 1 1 11 11 ASP C C 11 175.689 175.689 174.543 1.146 25125
13106 1 20 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.273 1.445 25125
13107 1 20 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.476 -0.402 25125
13108 1 20 . 1 1 11 11 ASP H H 11 9.033 9.033 8.230 0.803 25125
13109 1 20 . 1 1 12 12 ASP N N 12 121.877 121.877 120.560 1.317 25125
13110 1 20 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.988 -0.342 25125
13111 1 20 . 1 1 12 12 ASP C C 12 177.036 177.036 177.060 -0.024 25125
13112 1 20 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.927 -0.624 25125
13113 1 20 . 1 1 12 12 ASP CB C 12 41.164 41.164 42.945 -1.781 25125
13114 1 20 . 1 1 12 12 ASP H H 12 9.570 9.570 8.197 1.373 25125
13115 1 20 . 1 1 13 13 SER N N 13 123.799 123.799 117.816 5.983 25125
13116 1 20 . 1 1 13 13 SER HA H 13 3.761 3.761 4.317 -0.556 25125
13117 1 20 . 1 1 13 13 SER C C 13 176.156 176.156 176.179 -0.023 25125
13118 1 20 . 1 1 13 13 SER CA C 13 61.186 61.186 61.417 -0.231 25125
13119 1 20 . 1 1 13 13 SER CB C 13 62.749 62.749 63.224 -0.475 25125
13120 1 20 . 1 1 13 13 SER H H 13 8.850 8.850 8.735 0.115 25125
13121 1 20 . 1 1 14 14 SER N N 14 119.123 119.123 118.987 0.136 25125
13122 1 20 . 1 1 14 14 SER HA H 14 4.361 4.361 4.382 -0.021 25125
13123 1 20 . 1 1 14 14 SER C C 14 176.404 176.404 176.718 -0.314 25125
13124 1 20 . 1 1 14 14 SER CA C 14 61.730 61.730 61.440 0.290 25125
13125 1 20 . 1 1 14 14 SER CB C 14 62.548 62.548 62.331 0.217 25125
13126 1 20 . 1 1 14 14 SER H H 14 8.531 8.531 8.711 -0.180 25125
13127 1 20 . 1 1 15 15 ILE N N 15 123.637 123.637 121.324 2.313 25125
13128 1 20 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.983 -0.038 25125
13129 1 20 . 1 1 15 15 ILE C C 15 177.861 177.861 177.774 0.087 25125
13130 1 20 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.936 -1.736 25125
13131 1 20 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.075 -1.189 25125
13132 1 20 . 1 1 15 15 ILE H H 15 7.206 7.206 8.268 -1.062 25125
13133 1 20 . 1 1 16 16 ARG N N 16 116.694 116.694 119.333 -2.639 25125
13134 1 20 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.243 -0.520 25125
13135 1 20 . 1 1 16 16 ARG C C 16 177.448 177.448 178.341 -0.893 25125
13136 1 20 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.862 2.711 25125
13137 1 20 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.697 0.750 25125
13138 1 20 . 1 1 16 16 ARG H H 16 7.562 7.562 7.449 0.113 25125
13139 1 20 . 1 1 17 17 TRP N N 17 116.848 116.848 123.642 -6.794 25125
13140 1 20 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.449 0.022 25125
13141 1 20 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.221 -0.781 25125
13142 1 20 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.660 -0.368 25125
13143 1 20 . 1 1 17 17 TRP H H 17 8.005 8.005 8.760 -0.755 25125
13144 1 20 . 1 1 18 18 VAL N N 18 116.964 116.964 116.651 0.313 25125
13145 1 20 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.766 0.909 25125
13146 1 20 . 1 1 18 18 VAL C C 18 179.181 179.181 177.761 1.420 25125
13147 1 20 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.881 -0.173 25125
13148 1 20 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.019 0.618 25125
13149 1 20 . 1 1 18 18 VAL H H 18 8.110 8.110 7.713 0.397 25125
13150 1 20 . 1 1 19 19 LEU N N 19 120.186 120.186 118.898 1.288 25125
13151 1 20 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.074 0.001 25125
13152 1 20 . 1 1 19 19 LEU C C 19 177.778 177.778 179.047 -1.269 25125
13153 1 20 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.321 0.501 25125
13154 1 20 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.572 0.209 25125
13155 1 20 . 1 1 19 19 LEU H H 19 8.073 8.073 7.434 0.639 25125
13156 1 20 . 1 1 20 20 GLU N N 20 120.193 120.193 120.511 -0.318 25125
13157 1 20 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.884 0.057 25125
13158 1 20 . 1 1 20 20 GLU C C 20 178.603 178.603 178.793 -0.190 25125
13159 1 20 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.906 0.704 25125
13160 1 20 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.780 -0.692 25125
13161 1 20 . 1 1 20 20 GLU H H 20 8.387 8.387 8.255 0.132 25125
13162 1 20 . 1 1 21 21 ARG N N 21 116.076 116.076 117.399 -1.323 25125
13163 1 20 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.951 -0.058 25125
13164 1 20 . 1 1 21 21 ARG C C 21 179.676 179.676 178.240 1.436 25125
13165 1 20 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.911 -0.462 25125
13166 1 20 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.271 0.582 25125
13167 1 20 . 1 1 21 21 ARG H H 21 7.602 7.602 8.271 -0.669 25125
13168 1 20 . 1 1 22 22 ALA N N 22 122.405 122.405 122.101 0.304 25125
13169 1 20 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.110 -0.013 25125
13170 1 20 . 1 1 22 22 ALA C C 22 180.501 180.501 178.851 1.650 25125
13171 1 20 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.243 0.335 25125
13172 1 20 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.256 0.976 25125
13173 1 20 . 1 1 22 22 ALA H H 22 7.992 7.992 7.491 0.501 25125
13174 1 20 . 1 1 23 23 LEU N N 23 118.026 118.026 118.751 -0.725 25125
13175 1 20 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.182 -0.181 25125
13176 1 20 . 1 1 23 23 LEU C C 23 178.878 178.878 179.089 -0.211 25125
13177 1 20 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.796 0.925 25125
13178 1 20 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.182 -2.527 25125
13179 1 20 . 1 1 23 23 LEU H H 23 8.825 8.825 7.484 1.341 25125
13180 1 20 . 1 1 24 24 ALA N N 24 122.159 122.159 122.386 -0.227 25125
13181 1 20 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.987 0.646 25125
13182 1 20 . 1 1 24 24 ALA C C 24 183.141 183.141 179.465 3.676 25125
13183 1 20 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.907 -0.161 25125
13184 1 20 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.399 -0.697 25125
13185 1 20 . 1 1 24 24 ALA H H 24 8.125 8.125 8.059 0.066 25125
13186 1 20 . 1 1 25 25 GLY N N 25 106.891 106.891 103.804 3.087 25125
13187 1 20 . 1 1 25 25 GLY C C 25 174.286 174.286 174.567 -0.281 25125
13188 1 20 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.156 1.266 25125
13189 1 20 . 1 1 25 25 GLY H H 25 7.870 7.870 7.764 0.106 25125
13190 1 20 . 1 1 26 26 ALA N N 26 121.819 121.819 123.523 -1.704 25125
13191 1 20 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.631 -0.132 25125
13192 1 20 . 1 1 26 26 ALA C C 26 176.953 176.953 177.943 -0.990 25125
13193 1 20 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.582 -0.063 25125
13194 1 20 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.769 -1.047 25125
13195 1 20 . 1 1 26 26 ALA H H 26 7.285 7.285 7.407 -0.122 25125
13196 1 20 . 1 1 27 27 GLY N N 27 106.197 106.197 107.283 -1.086 25125
13197 1 20 . 1 1 27 27 GLY C C 27 173.956 173.956 173.156 0.800 25125
13198 1 20 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.280 0.036 25125
13199 1 20 . 1 1 27 27 GLY H H 27 7.824 7.824 7.939 -0.115 25125
13200 1 20 . 1 1 28 28 LEU N N 28 120.291 120.291 117.627 2.664 25125
13201 1 20 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.747 -0.172 25125
13202 1 20 . 1 1 28 28 LEU C C 28 175.881 175.881 176.413 -0.532 25125
13203 1 20 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.855 0.788 25125
13204 1 20 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.524 -2.039 25125
13205 1 20 . 1 1 28 28 LEU H H 28 7.678 7.678 7.653 0.025 25125
13206 1 20 . 1 1 29 29 THR N N 29 118.040 118.040 116.491 1.549 25125
13207 1 20 . 1 1 29 29 THR HA H 29 4.335 4.335 4.185 0.150 25125
13208 1 20 . 1 1 29 29 THR C C 29 173.186 173.186 173.827 -0.641 25125
13209 1 20 . 1 1 29 29 THR CA C 29 62.479 62.479 64.336 -1.857 25125
13210 1 20 . 1 1 29 29 THR CB C 29 69.465 69.465 69.553 -0.088 25125
13211 1 20 . 1 1 29 29 THR H H 29 8.527 8.527 8.463 0.064 25125
13212 1 20 . 1 1 30 30 CYS N N 30 128.387 128.387 121.364 7.023 25125
13213 1 20 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.521 0.422 25125
13214 1 20 . 1 1 30 30 CYS C C 30 173.846 173.846 173.803 0.043 25125
13215 1 20 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.849 -0.487 25125
13216 1 20 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.935 -1.455 25125
13217 1 20 . 1 1 30 30 CYS H H 30 8.968 8.968 8.298 0.670 25125
13218 1 20 . 1 1 31 31 THR N N 31 126.481 126.481 123.110 3.371 25125
13219 1 20 . 1 1 31 31 THR HA H 31 4.433 4.433 4.538 -0.105 25125
13220 1 20 . 1 1 31 31 THR C C 31 172.609 172.609 173.706 -1.097 25125
13221 1 20 . 1 1 31 31 THR CA C 31 61.951 61.951 62.145 -0.195 25125
13222 1 20 . 1 1 31 31 THR CB C 31 70.567 70.567 70.686 -0.119 25125
13223 1 20 . 1 1 31 31 THR H H 31 8.614 8.614 8.462 0.152 25125
13224 1 20 . 1 1 32 32 THR N N 32 116.418 116.418 118.099 -1.681 25125
13225 1 20 . 1 1 32 32 THR HA H 32 5.330 5.330 5.250 0.080 25125
13226 1 20 . 1 1 32 32 THR C C 32 172.306 172.306 173.232 -0.926 25125
13227 1 20 . 1 1 32 32 THR CA C 32 59.173 59.173 60.113 -0.940 25125
13228 1 20 . 1 1 32 32 THR CB C 32 70.917 70.917 70.611 0.306 25125
13229 1 20 . 1 1 32 32 THR H H 32 8.299 8.299 8.152 0.147 25125
13230 1 20 . 1 1 33 33 PHE N N 33 118.067 118.067 124.728 -6.661 25125
13231 1 20 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.496 0.147 25125
13232 1 20 . 1 1 33 33 PHE C C 33 174.341 174.341 176.104 -1.763 25125
13233 1 20 . 1 1 33 33 PHE CA C 33 56.532 56.532 58.932 -2.400 25125
13234 1 20 . 1 1 33 33 PHE CB C 33 43.309 43.309 40.334 2.975 25125
13235 1 20 . 1 1 33 33 PHE H H 33 8.890 8.890 8.192 0.698 25125
13236 1 20 . 1 1 34 34 GLU N N 34 118.499 118.499 111.965 6.534 25125
13237 1 20 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.299 0.055 25125
13238 1 20 . 1 1 34 34 GLU C C 34 175.414 175.414 174.885 0.529 25125
13239 1 20 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.819 -0.127 25125
13240 1 20 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.091 1.376 25125
13241 1 20 . 1 1 34 34 GLU H H 34 9.023 9.023 8.611 0.412 25125
13242 1 20 . 1 1 35 35 ASN N N 35 109.907 109.907 118.159 -8.252 25125
13243 1 20 . 1 1 35 35 ASN HA H 35 4.781 4.781 5.070 -0.289 25125
13244 1 20 . 1 1 35 35 ASN C C 35 175.139 175.139 175.737 -0.598 25125
13245 1 20 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.331 -0.185 25125
13246 1 20 . 1 1 35 35 ASN CB C 35 41.323 41.323 41.212 0.111 25125
13247 1 20 . 1 1 35 35 ASN H H 35 7.401 7.401 7.948 -0.547 25125
13248 1 20 . 1 1 36 36 GLY N N 36 106.739 106.739 108.053 -1.314 25125
13249 1 20 . 1 1 36 36 GLY C C 36 174.616 174.616 175.700 -1.084 25125
13250 1 20 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.397 0.619 25125
13251 1 20 . 1 1 36 36 GLY H H 36 8.877 8.877 8.981 -0.104 25125
13252 1 20 . 1 1 37 37 ASN N N 37 120.462 120.462 117.819 2.643 25125
13253 1 20 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.411 -0.049 25125
13254 1 20 . 1 1 37 37 ASN C C 37 178.686 178.686 176.208 2.478 25125
13255 1 20 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.237 1.295 25125
13256 1 20 . 1 1 37 37 ASN CB C 37 37.584 37.584 37.883 -0.298 25125
13257 1 20 . 1 1 37 37 ASN H H 37 8.366 8.366 8.710 -0.344 25125
13258 1 20 . 1 1 38 38 GLU N N 38 119.360 119.360 116.309 3.051 25125
13259 1 20 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.169 -0.099 25125
13260 1 20 . 1 1 38 38 GLU C C 38 179.263 179.263 177.498 1.765 25125
13261 1 20 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.466 1.166 25125
13262 1 20 . 1 1 38 38 GLU CB C 38 30.532 30.532 28.999 1.533 25125
13263 1 20 . 1 1 38 38 GLU H H 38 7.990 7.990 7.629 0.361 25125
13264 1 20 . 1 1 39 39 VAL N N 39 119.259 119.259 119.444 -0.185 25125
13265 1 20 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.115 -0.347 25125
13266 1 20 . 1 1 39 39 VAL C C 39 176.431 176.431 177.254 -0.823 25125
13267 1 20 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.405 -0.462 25125
13268 1 20 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.728 -0.653 25125
13269 1 20 . 1 1 39 39 VAL H H 39 6.883 6.883 7.818 -0.935 25125
13270 1 20 . 1 1 40 40 LEU N N 40 119.627 119.627 120.875 -1.248 25125
13271 1 20 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.901 0.026 25125
13272 1 20 . 1 1 40 40 LEU C C 40 179.538 179.538 178.852 0.686 25125
13273 1 20 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.985 -1.045 25125
13274 1 20 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.392 -0.324 25125
13275 1 20 . 1 1 40 40 LEU H H 40 7.692 7.692 7.472 0.220 25125
13276 1 20 . 1 1 41 41 ALA N N 41 120.051 120.051 119.686 0.365 25125
13277 1 20 . 1 1 41 41 ALA HA H 41 4.140 4.140 3.990 0.150 25125
13278 1 20 . 1 1 41 41 ALA C C 41 180.528 180.528 178.845 1.683 25125
13279 1 20 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.689 -0.039 25125
13280 1 20 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.032 -0.166 25125
13281 1 20 . 1 1 41 41 ALA H H 41 7.553 7.553 7.749 -0.196 25125
13282 1 20 . 1 1 42 42 ALA N N 42 122.731 122.731 120.095 2.636 25125
13283 1 20 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.120 0.079 25125
13284 1 20 . 1 1 42 42 ALA C C 42 180.198 180.198 180.073 0.125 25125
13285 1 20 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.297 0.735 25125
13286 1 20 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.995 1.404 25125
13287 1 20 . 1 1 42 42 ALA H H 42 7.604 7.604 7.599 0.005 25125
13288 1 20 . 1 1 43 43 LEU N N 43 119.131 119.131 119.810 -0.679 25125
13289 1 20 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.134 1.072 25125
13290 1 20 . 1 1 43 43 LEU C C 43 177.421 177.421 178.672 -1.251 25125
13291 1 20 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.460 -1.915 25125
13292 1 20 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.608 0.996 25125
13293 1 20 . 1 1 43 43 LEU H H 43 8.288 8.288 7.815 0.473 25125
13294 1 20 . 1 1 44 44 ALA N N 44 119.065 119.065 117.639 1.426 25125
13295 1 20 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.060 0.169 25125
13296 1 20 . 1 1 44 44 ALA C C 44 178.686 178.686 178.975 -0.289 25125
13297 1 20 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.299 -0.061 25125
13298 1 20 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.452 0.064 25125
13299 1 20 . 1 1 44 44 ALA H H 44 7.302 7.302 7.729 -0.426 25125
13300 1 20 . 1 1 45 45 SER N N 45 108.656 108.656 114.104 -5.448 25125
13301 1 20 . 1 1 45 45 SER HA H 45 4.742 4.742 4.454 0.288 25125
13302 1 20 . 1 1 45 45 SER C C 45 173.296 173.296 174.216 -0.920 25125
13303 1 20 . 1 1 45 45 SER CA C 45 58.656 58.656 60.176 -1.520 25125
13304 1 20 . 1 1 45 45 SER CB C 45 65.407 65.407 64.047 1.360 25125
13305 1 20 . 1 1 45 45 SER H H 45 7.728 7.728 8.260 -0.532 25125
13306 1 20 . 1 1 46 46 LYS N N 46 123.016 123.016 118.883 4.133 25125
13307 1 20 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.448 0.138 25125
13308 1 20 . 1 1 46 46 LYS C C 46 172.719 172.719 175.346 -2.627 25125
13309 1 20 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.035 -0.523 25125
13310 1 20 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.213 3.012 25125
13311 1 20 . 1 1 46 46 LYS H H 46 8.101 8.101 7.471 0.630 25125
13312 1 20 . 1 1 47 47 THR N N 47 111.780 111.780 119.746 -7.966 25125
13313 1 20 . 1 1 47 47 THR HA H 47 4.282 4.282 4.128 0.154 25125
13314 1 20 . 1 1 47 47 THR CA C 47 57.806 57.806 61.557 -3.751 25125
13315 1 20 . 1 1 47 47 THR CB C 47 70.594 70.594 67.983 2.611 25125
13316 1 20 . 1 1 47 47 THR H H 47 7.677 7.677 8.278 -0.601 25125
13317 1 20 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.931 -0.026 25125
13318 1 20 . 1 1 48 48 PRO C C 48 172.966 172.966 175.504 -2.538 25125
13319 1 20 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.776 -0.910 25125
13320 1 20 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.854 -1.577 25125
13321 1 20 . 1 1 49 49 ASP N N 49 115.035 115.035 118.149 -3.114 25125
13322 1 20 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.609 -0.165 25125
13323 1 20 . 1 1 49 49 ASP C C 49 175.634 175.634 175.415 0.219 25125
13324 1 20 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.222 1.225 25125
13325 1 20 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.397 -0.885 25125
13326 1 20 . 1 1 49 49 ASP H H 49 8.502 8.502 8.186 0.316 25125
13327 1 20 . 1 1 50 50 VAL N N 50 112.082 112.082 116.593 -4.511 25125
13328 1 20 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.485 -0.205 25125
13329 1 20 . 1 1 50 50 VAL C C 50 171.454 171.454 173.117 -1.663 25125
13330 1 20 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.435 -0.873 25125
13331 1 20 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.510 1.126 25125
13332 1 20 . 1 1 50 50 VAL H H 50 7.173 7.173 7.209 -0.036 25125
13333 1 20 . 1 1 51 51 LEU N N 51 128.247 128.247 128.259 -0.012 25125
13334 1 20 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.164 0.155 25125
13335 1 20 . 1 1 51 51 LEU C C 51 173.104 173.104 175.250 -2.146 25125
13336 1 20 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.711 -0.493 25125
13337 1 20 . 1 1 51 51 LEU CB C 51 46.506 46.506 45.171 1.335 25125
13338 1 20 . 1 1 51 51 LEU H H 51 8.059 8.059 7.976 0.083 25125
13339 1 20 . 1 1 52 52 LEU N N 52 128.407 128.407 122.573 5.834 25125
13340 1 20 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.020 0.481 25125
13341 1 20 . 1 1 52 52 LEU C C 52 175.414 175.414 175.588 -0.174 25125
13342 1 20 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.270 0.053 25125
13343 1 20 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.938 1.583 25125
13344 1 20 . 1 1 52 52 LEU H H 52 9.242 9.242 8.562 0.680 25125
13345 1 20 . 1 1 53 53 SER N N 53 114.946 114.946 117.578 -2.632 25125
13346 1 20 . 1 1 53 53 SER HA H 53 5.595 5.595 5.266 0.329 25125
13347 1 20 . 1 1 53 53 SER C C 53 174.644 174.644 173.630 1.014 25125
13348 1 20 . 1 1 53 53 SER CA C 53 55.954 55.954 57.215 -1.261 25125
13349 1 20 . 1 1 53 53 SER CB C 53 66.473 66.473 65.295 1.178 25125
13350 1 20 . 1 1 53 53 SER H H 53 8.695 8.695 8.021 0.674 25125
13351 1 20 . 1 1 54 54 ASP N N 54 128.341 128.341 121.868 6.473 25125
13352 1 20 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.131 0.194 25125
13353 1 20 . 1 1 54 54 ASP C C 54 176.816 176.816 175.735 1.081 25125
13354 1 20 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.251 1.242 25125
13355 1 20 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.939 -1.611 25125
13356 1 20 . 1 1 54 54 ASP H H 54 7.886 7.886 8.015 -0.129 25125
13357 1 20 . 1 1 55 55 ILE N N 55 121.229 121.229 124.855 -3.626 25125
13358 1 20 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.175 0.010 25125
13359 1 20 . 1 1 55 55 ILE C C 55 175.084 175.084 174.655 0.429 25125
13360 1 20 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.771 -0.229 25125
13361 1 20 . 1 1 55 55 ILE CB C 55 39.029 39.029 37.174 1.855 25125
13362 1 20 . 1 1 55 55 ILE H H 55 8.722 8.722 8.800 -0.078 25125
13363 1 20 . 1 1 56 56 ARG N N 56 124.188 124.188 123.545 0.643 25125
13364 1 20 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.555 -0.050 25125
13365 1 20 . 1 1 56 56 ARG C C 56 175.661 175.661 174.447 1.214 25125
13366 1 20 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.839 -0.398 25125
13367 1 20 . 1 1 56 56 ARG CB C 56 30.362 30.362 29.633 0.729 25125
13368 1 20 . 1 1 56 56 ARG H H 56 8.499 8.499 8.157 0.342 25125
13369 1 20 . 1 1 57 57 MET N N 57 122.581 122.581 115.976 6.605 25125
13370 1 20 . 1 1 57 57 MET HA H 57 4.821 4.821 4.990 -0.169 25125
13371 1 20 . 1 1 57 57 MET CA C 57 53.132 53.132 53.519 -0.387 25125
13372 1 20 . 1 1 57 57 MET CB C 57 33.445 33.445 34.331 -0.886 25125
13373 1 20 . 1 1 57 57 MET H H 57 7.956 7.956 7.879 0.077 25125
13374 1 20 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.402 -0.009 25125
13375 1 20 . 1 1 58 58 PRO C C 58 177.806 177.806 177.426 0.380 25125
13376 1 20 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.371 -0.872 25125
13377 1 20 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.643 0.164 25125
13378 1 20 . 1 1 59 59 GLY N N 59 111.082 111.082 107.735 3.347 25125
13379 1 20 . 1 1 59 59 GLY C C 59 173.626 173.626 175.173 -1.547 25125
13380 1 20 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.592 -0.002 25125
13381 1 20 . 1 1 59 59 GLY H H 59 8.653 8.653 8.078 0.575 25125
13382 1 20 . 1 1 60 60 MET N N 60 120.052 120.052 120.267 -0.215 25125
13383 1 20 . 1 1 60 60 MET HA H 60 4.525 4.525 4.577 -0.052 25125
13384 1 20 . 1 1 60 60 MET C C 60 173.956 173.956 176.140 -2.184 25125
13385 1 20 . 1 1 60 60 MET CA C 60 55.047 55.047 54.882 0.165 25125
13386 1 20 . 1 1 60 60 MET CB C 60 34.506 34.506 31.645 2.861 25125
13387 1 20 . 1 1 60 60 MET H H 60 7.968 7.968 8.386 -0.418 25125
13388 1 20 . 1 1 61 61 ASP N N 61 121.306 121.306 120.348 0.958 25125
13389 1 20 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.376 0.328 25125
13390 1 20 . 1 1 61 61 ASP C C 61 176.761 176.761 176.749 0.012 25125
13391 1 20 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.445 -3.716 25125
13392 1 20 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.017 1.052 25125
13393 1 20 . 1 1 61 61 ASP H H 61 8.379 8.379 8.159 0.220 25125
13394 1 20 . 1 1 62 62 GLY N N 62 110.874 110.874 105.920 4.954 25125
13395 1 20 . 1 1 62 62 GLY C C 62 175.194 175.194 174.682 0.512 25125
13396 1 20 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.685 1.416 25125
13397 1 20 . 1 1 62 62 GLY H H 62 8.707 8.707 8.355 0.352 25125
13398 1 20 . 1 1 63 63 LEU N N 63 121.299 121.299 121.531 -0.232 25125
13399 1 20 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.539 -0.362 25125
13400 1 20 . 1 1 63 63 LEU C C 63 178.356 178.356 178.001 0.355 25125
13401 1 20 . 1 1 63 63 LEU CA C 63 56.878 56.878 54.922 1.956 25125
13402 1 20 . 1 1 63 63 LEU CB C 63 41.238 41.238 39.941 1.297 25125
13403 1 20 . 1 1 63 63 LEU H H 63 8.045 8.045 7.875 0.170 25125
13404 1 20 . 1 1 64 64 ALA N N 64 122.741 122.741 124.053 -1.312 25125
13405 1 20 . 1 1 64 64 ALA HA H 64 4.062 4.062 3.905 0.157 25125
13406 1 20 . 1 1 64 64 ALA C C 64 180.556 180.556 179.343 1.213 25125
13407 1 20 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.756 -1.141 25125
13408 1 20 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.050 -0.050 25125
13409 1 20 . 1 1 64 64 ALA H H 64 7.859 7.859 7.699 0.160 25125
13410 1 20 . 1 1 65 65 LEU N N 65 120.287 120.287 115.485 4.802 25125
13411 1 20 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.156 -0.094 25125
13412 1 20 . 1 1 65 65 LEU C C 65 178.191 178.191 178.500 -0.309 25125
13413 1 20 . 1 1 65 65 LEU CA C 65 58.019 58.019 57.068 0.951 25125
13414 1 20 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.625 -0.387 25125
13415 1 20 . 1 1 65 65 LEU H H 65 8.022 8.022 7.779 0.243 25125
13416 1 20 . 1 1 66 66 LEU N N 66 118.738 118.738 120.826 -2.088 25125
13417 1 20 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.103 -0.245 25125
13418 1 20 . 1 1 66 66 LEU C C 66 178.631 178.631 178.875 -0.244 25125
13419 1 20 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.228 1.118 25125
13420 1 20 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.890 0.348 25125
13421 1 20 . 1 1 66 66 LEU H H 66 8.101 8.101 7.786 0.315 25125
13422 1 20 . 1 1 67 67 LYS N N 67 117.842 117.842 116.060 1.782 25125
13423 1 20 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.058 -0.076 25125
13424 1 20 . 1 1 67 67 LYS C C 67 179.263 179.263 179.319 -0.056 25125
13425 1 20 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.142 0.655 25125
13426 1 20 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.893 0.314 25125
13427 1 20 . 1 1 67 67 LYS H H 67 8.010 8.010 8.500 -0.490 25125
13428 1 20 . 1 1 68 68 GLN N N 68 118.875 118.875 118.507 0.368 25125
13429 1 20 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.290 -0.234 25125
13430 1 20 . 1 1 68 68 GLN C C 68 179.071 179.071 177.913 1.158 25125
13431 1 20 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.100 0.973 25125
13432 1 20 . 1 1 68 68 GLN CB C 68 28.611 28.611 27.954 0.657 25125
13433 1 20 . 1 1 68 68 GLN H H 68 7.809 7.809 7.588 0.221 25125
13434 1 20 . 1 1 69 69 ILE N N 69 120.377 120.377 121.568 -1.191 25125
13435 1 20 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.799 -0.269 25125
13436 1 20 . 1 1 69 69 ILE C C 69 177.421 177.421 178.121 -0.700 25125
13437 1 20 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.234 0.644 25125
13438 1 20 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.614 -0.030 25125
13439 1 20 . 1 1 69 69 ILE H H 69 8.481 8.481 8.068 0.413 25125
13440 1 20 . 1 1 70 70 LYS N N 70 117.873 117.873 117.826 0.047 25125
13441 1 20 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.189 -0.229 25125
13442 1 20 . 1 1 70 70 LYS C C 70 178.053 178.053 178.188 -0.135 25125
13443 1 20 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.158 -1.070 25125
13444 1 20 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.735 -0.523 25125
13445 1 20 . 1 1 70 70 LYS H H 70 8.220 8.220 7.572 0.648 25125
13446 1 20 . 1 1 71 71 GLN N N 71 116.315 116.315 117.234 -0.919 25125
13447 1 20 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.185 -0.193 25125
13448 1 20 . 1 1 71 71 GLN C C 71 177.366 177.366 177.978 -0.612 25125
13449 1 20 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.866 0.324 25125
13450 1 20 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.040 -0.375 25125
13451 1 20 . 1 1 71 71 GLN H H 71 7.601 7.601 7.774 -0.173 25125
13452 1 20 . 1 1 72 72 ARG N N 72 116.530 116.530 117.180 -0.650 25125
13453 1 20 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.138 -0.108 25125
13454 1 20 . 1 1 72 72 ARG C C 72 175.826 175.826 175.583 0.243 25125
13455 1 20 . 1 1 72 72 ARG CA C 72 57.222 57.222 56.530 0.692 25125
13456 1 20 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.424 0.378 25125
13457 1 20 . 1 1 72 72 ARG H H 72 7.301 7.301 8.186 -0.885 25125
13458 1 20 . 1 1 73 73 HIS N N 73 116.755 116.755 117.153 -0.398 25125
13459 1 20 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.859 0.101 25125
13460 1 20 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.596 -0.378 25125
13461 1 20 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.581 -0.019 25125
13462 1 20 . 1 1 73 73 HIS H H 73 8.331 8.331 7.750 0.581 25125
13463 1 20 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.425 0.074 25125
13464 1 20 . 1 1 74 74 PRO C C 74 178.466 178.466 177.110 1.356 25125
13465 1 20 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.692 0.421 25125
13466 1 20 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.201 -0.106 25125
13467 1 20 . 1 1 75 75 MET N N 75 114.814 114.814 113.848 0.966 25125
13468 1 20 . 1 1 75 75 MET HA H 75 4.567 4.567 4.635 -0.068 25125
13469 1 20 . 1 1 75 75 MET C C 75 176.046 176.046 175.262 0.784 25125
13470 1 20 . 1 1 75 75 MET CA C 75 54.266 54.266 55.250 -0.984 25125
13471 1 20 . 1 1 75 75 MET CB C 75 31.288 31.288 32.896 -1.608 25125
13472 1 20 . 1 1 75 75 MET H H 75 8.623 8.623 7.687 0.936 25125
13473 1 20 . 1 1 76 76 LEU N N 76 125.533 125.533 122.973 2.560 25125
13474 1 20 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.661 -0.356 25125
13475 1 20 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.881 1.231 25125
13476 1 20 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.789 -0.104 25125
13477 1 20 . 1 1 76 76 LEU H H 76 7.337 7.337 7.351 -0.014 25125
13478 1 20 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.555 -0.109 25125
13479 1 20 . 1 1 77 77 PRO C C 77 174.974 174.974 175.398 -0.424 25125
13480 1 20 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.445 0.382 25125
13481 1 20 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.401 -0.679 25125
13482 1 20 . 1 1 78 78 VAL N N 78 123.779 123.779 120.133 3.646 25125
13483 1 20 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.854 0.170 25125
13484 1 20 . 1 1 78 78 VAL C C 78 175.441 175.441 175.330 0.111 25125
13485 1 20 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.527 -0.334 25125
13486 1 20 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.066 -1.772 25125
13487 1 20 . 1 1 78 78 VAL H H 78 8.317 8.317 8.155 0.162 25125
13488 1 20 . 1 1 79 79 ILE N N 79 128.334 128.334 120.934 7.400 25125
13489 1 20 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.763 -0.282 25125
13490 1 20 . 1 1 79 79 ILE C C 79 174.479 174.479 174.813 -0.334 25125
13491 1 20 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.209 -0.688 25125
13492 1 20 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.736 -1.773 25125
13493 1 20 . 1 1 79 79 ILE H H 79 9.292 9.292 8.112 1.180 25125
13494 1 20 . 1 1 80 80 ILE N N 80 127.023 127.023 126.947 0.076 25125
13495 1 20 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.201 0.658 25125
13496 1 20 . 1 1 80 80 ILE C C 80 175.029 175.029 175.018 0.011 25125
13497 1 20 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.254 -2.097 25125
13498 1 20 . 1 1 80 80 ILE CB C 80 37.944 37.944 38.900 -0.956 25125
13499 1 20 . 1 1 80 80 ILE H H 80 7.938 7.938 8.864 -0.926 25125
13500 1 20 . 1 1 81 81 MET N N 81 127.255 127.255 125.774 1.481 25125
13501 1 20 . 1 1 81 81 MET HA H 81 5.521 5.521 5.414 0.107 25125
13502 1 20 . 1 1 81 81 MET C C 81 174.534 174.534 175.435 -0.901 25125
13503 1 20 . 1 1 81 81 MET CA C 81 53.513 53.513 55.011 -1.498 25125
13504 1 20 . 1 1 81 81 MET CB C 81 35.483 35.483 36.088 -0.605 25125
13505 1 20 . 1 1 81 81 MET H H 81 8.801 8.801 8.252 0.549 25125
13506 1 20 . 1 1 82 82 THR N N 82 112.857 112.857 117.344 -4.487 25125
13507 1 20 . 1 1 82 82 THR HA H 82 4.914 4.914 4.549 0.365 25125
13508 1 20 . 1 1 82 82 THR C C 82 172.581 172.581 174.593 -2.012 25125
13509 1 20 . 1 1 82 82 THR CA C 82 59.561 59.561 64.214 -4.653 25125
13510 1 20 . 1 1 82 82 THR CB C 82 69.989 69.989 69.391 0.598 25125
13511 1 20 . 1 1 82 82 THR H H 82 7.623 7.623 8.439 -0.816 25125
13512 1 20 . 1 1 83 83 ALA N N 83 129.541 129.541 123.593 5.948 25125
13513 1 20 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.943 0.765 25125
13514 1 20 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.154 -1.616 25125
13515 1 20 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.896 2.251 25125
13516 1 20 . 1 1 83 83 ALA H H 83 9.149 9.149 8.227 0.922 25125
13517 1 20 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.466 -0.194 25125
13518 1 20 . 1 1 84 84 HIS CA C 84 59.700 59.700 54.742 4.958 25125
13519 1 20 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.648 0.370 25125
13520 1 20 . 1 1 85 85 SER N N 85 112.633 112.633 114.849 -2.216 25125
13521 1 20 . 1 1 85 85 SER HA H 85 4.198 4.198 4.019 0.179 25125
13522 1 20 . 1 1 85 85 SER C C 85 174.506 174.506 173.484 1.022 25125
13523 1 20 . 1 1 85 85 SER CA C 85 59.823 59.823 60.366 -0.543 25125
13524 1 20 . 1 1 85 85 SER CB C 85 62.693 62.693 62.734 -0.041 25125
13525 1 20 . 1 1 85 85 SER H H 85 8.224 8.224 8.543 -0.319 25125
13526 1 20 . 1 1 86 86 ASP N N 86 120.886 120.886 125.387 -4.501 25125
13527 1 20 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.402 0.534 25125
13528 1 20 . 1 1 86 86 ASP C C 86 175.881 175.881 176.663 -0.782 25125
13529 1 20 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.529 -1.595 25125
13530 1 20 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.936 1.067 25125
13531 1 20 . 1 1 86 86 ASP H H 86 7.608 7.608 7.843 -0.235 25125
13532 1 20 . 1 1 87 87 LEU N N 87 121.913 121.913 121.505 0.408 25125
13533 1 20 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.766 0.153 25125
13534 1 20 . 1 1 87 87 LEU C C 87 177.586 177.586 177.866 -0.280 25125
13535 1 20 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.285 -0.448 25125
13536 1 20 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.805 0.510 25125
13537 1 20 . 1 1 87 87 LEU H H 87 7.498 7.498 7.452 0.046 25125
13538 1 20 . 1 1 88 88 ASP N N 88 117.621 117.621 118.297 -0.676 25125
13539 1 20 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.189 0.083 25125
13540 1 20 . 1 1 88 88 ASP C C 88 178.246 178.246 177.611 0.635 25125
13541 1 20 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.862 -1.052 25125
13542 1 20 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.615 -0.482 25125
13543 1 20 . 1 1 88 88 ASP H H 88 8.322 8.322 8.824 -0.502 25125
13544 1 20 . 1 1 89 89 ALA N N 89 122.874 122.874 120.159 2.715 25125
13545 1 20 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.381 -0.287 25125
13546 1 20 . 1 1 89 89 ALA C C 89 179.346 179.346 179.128 0.218 25125
13547 1 20 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.116 0.037 25125
13548 1 20 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.573 -0.312 25125
13549 1 20 . 1 1 89 89 ALA H H 89 7.838 7.838 7.348 0.490 25125
13550 1 20 . 1 1 90 90 ALA N N 90 121.673 121.673 122.047 -0.374 25125
13551 1 20 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.176 -0.243 25125
13552 1 20 . 1 1 90 90 ALA C C 90 178.686 178.686 180.280 -1.594 25125
13553 1 20 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.806 -0.143 25125
13554 1 20 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.214 0.168 25125
13555 1 20 . 1 1 90 90 ALA H H 90 7.896 7.896 7.674 0.222 25125
13556 1 20 . 1 1 91 91 VAL N N 91 117.749 117.749 119.363 -1.614 25125
13557 1 20 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.935 -0.323 25125
13558 1 20 . 1 1 91 91 VAL C C 91 178.411 178.411 177.440 0.971 25125
13559 1 20 . 1 1 91 91 VAL CA C 91 65.181 65.181 65.875 -0.694 25125
13560 1 20 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.484 0.153 25125
13561 1 20 . 1 1 91 91 VAL H H 91 8.098 8.098 8.692 -0.594 25125
13562 1 20 . 1 1 92 92 SER N N 92 114.942 114.942 113.730 1.212 25125
13563 1 20 . 1 1 92 92 SER HA H 92 4.231 4.231 4.441 -0.210 25125
13564 1 20 . 1 1 92 92 SER C C 92 175.826 175.826 175.500 0.326 25125
13565 1 20 . 1 1 92 92 SER CA C 92 60.649 60.649 59.904 0.745 25125
13566 1 20 . 1 1 92 92 SER CB C 92 63.063 63.063 63.960 -0.897 25125
13567 1 20 . 1 1 92 92 SER H H 92 7.825 7.825 7.776 0.049 25125
13568 1 20 . 1 1 93 93 ALA N N 93 122.580 122.580 124.736 -2.156 25125
13569 1 20 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.176 -0.119 25125
13570 1 20 . 1 1 93 93 ALA C C 93 178.906 178.906 179.260 -0.354 25125
13571 1 20 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.424 -0.107 25125
13572 1 20 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.354 -0.057 25125
13573 1 20 . 1 1 93 93 ALA H H 93 7.861 7.861 8.173 -0.312 25125
13574 1 20 . 1 1 94 94 TYR N N 94 118.447 118.447 120.706 -2.259 25125
13575 1 20 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.269 0.223 25125
13576 1 20 . 1 1 94 94 TYR C C 94 177.393 177.393 177.485 -0.092 25125
13577 1 20 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.040 -0.789 25125
13578 1 20 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.414 0.020 25125
13579 1 20 . 1 1 94 94 TYR H H 94 8.150 8.150 7.911 0.239 25125
13580 1 20 . 1 1 95 95 GLN N N 95 119.787 119.787 115.564 4.223 25125
13581 1 20 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.014 0.029 25125
13582 1 20 . 1 1 95 95 GLN C C 95 176.981 176.981 176.274 0.707 25125
13583 1 20 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.788 0.679 25125
13584 1 20 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.939 0.150 25125
13585 1 20 . 1 1 95 95 GLN H H 95 8.271 8.271 8.041 0.230 25125
13586 1 20 . 1 1 96 96 GLN N N 96 117.878 117.878 116.949 0.929 25125
13587 1 20 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.250 0.095 25125
13588 1 20 . 1 1 96 96 GLN C C 96 175.854 175.854 176.083 -0.229 25125
13589 1 20 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.986 0.185 25125
13590 1 20 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.168 0.307 25125
13591 1 20 . 1 1 96 96 GLN H H 96 7.944 7.944 7.617 0.327 25125
13592 1 20 . 1 1 97 97 GLY N N 97 106.670 106.670 105.940 0.730 25125
13593 1 20 . 1 1 97 97 GLY C C 97 174.231 174.231 172.845 1.386 25125
13594 1 20 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.677 0.809 25125
13595 1 20 . 1 1 97 97 GLY H H 97 7.949 7.949 8.207 -0.258 25125
13596 1 20 . 1 1 98 98 ALA N N 98 122.898 122.898 121.579 1.319 25125
13597 1 20 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.541 -0.166 25125
13598 1 20 . 1 1 98 98 ALA C C 98 175.991 175.991 175.454 0.537 25125
13599 1 20 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.820 2.348 25125
13600 1 20 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.455 -1.486 25125
13601 1 20 . 1 1 98 98 ALA H H 98 7.808 7.808 7.173 0.635 25125
13602 1 20 . 1 1 99 99 PHE N N 99 123.484 123.484 120.122 3.362 25125
13603 1 20 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.398 -0.048 25125
13604 1 20 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.398 2.058 25125
13605 1 20 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.034 -0.594 25125
13606 1 20 . 1 1 99 99 PHE H H 99 7.704 7.704 8.256 -0.552 25125
13607 1 20 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.837 0.667 25125
13608 1 20 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.514 -2.032 25125
13609 1 20 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.366 3.834 25125
13610 1 20 . 1 1 101 101 TYR N N 101 118.148 118.148 119.634 -1.486 25125
13611 1 20 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.470 0.978 25125
13612 1 20 . 1 1 101 101 TYR C C 101 173.159 173.159 174.612 -1.453 25125
13613 1 20 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.203 -0.216 25125
13614 1 20 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.157 2.741 25125
13615 1 20 . 1 1 101 101 TYR H H 101 9.546 9.546 7.266 2.280 25125
13616 1 20 . 1 1 102 102 LEU N N 102 124.100 124.100 120.071 4.029 25125
13617 1 20 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.061 -0.341 25125
13618 1 20 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.601 -1.102 25125
13619 1 20 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.426 -0.365 25125
13620 1 20 . 1 1 102 102 LEU H H 102 8.901 8.901 8.779 0.122 25125
13621 1 20 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.672 0.221 25125
13622 1 20 . 1 1 103 103 PRO C C 103 175.524 175.524 175.874 -0.350 25125
13623 1 20 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.716 -0.831 25125
13624 1 20 . 1 1 103 103 PRO CB C 103 31.807 31.807 33.217 -1.410 25125
13625 1 20 . 1 1 104 104 LYS N N 104 118.848 118.848 120.734 -1.886 25125
13626 1 20 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.933 -0.420 25125
13627 1 20 . 1 1 104 104 LYS CA C 104 53.218 53.218 52.578 0.640 25125
13628 1 20 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.383 2.361 25125
13629 1 20 . 1 1 104 104 LYS H H 104 8.279 8.279 8.040 0.239 25125
13630 1 20 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.311 -0.012 25125
13631 1 20 . 1 1 105 105 PRO C C 105 175.001 175.001 175.858 -0.857 25125
13632 1 20 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.647 -0.252 25125
13633 1 20 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.105 1.990 25125
13634 1 20 . 1 1 106 106 PHE N N 106 116.607 116.607 115.490 1.117 25125
13635 1 20 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.700 0.470 25125
13636 1 20 . 1 1 106 106 PHE C C 106 175.221 175.221 174.230 0.991 25125
13637 1 20 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.223 -2.788 25125
13638 1 20 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.127 0.273 25125
13639 1 20 . 1 1 106 106 PHE H H 106 7.457 7.457 7.561 -0.104 25125
13640 1 20 . 1 1 107 107 ASP N N 107 122.214 122.214 122.083 0.131 25125
13641 1 20 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.003 -0.171 25125
13642 1 20 . 1 1 107 107 ASP C C 107 177.778 177.778 177.375 0.403 25125
13643 1 20 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.549 -0.307 25125
13644 1 20 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.370 1.227 25125
13645 1 20 . 1 1 107 107 ASP H H 107 9.022 9.022 8.542 0.480 25125
13646 1 20 . 1 1 108 108 ILE N N 108 127.706 127.706 125.395 2.311 25125
13647 1 20 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.753 0.212 25125
13648 1 20 . 1 1 108 108 ILE C C 108 176.046 176.046 177.142 -1.096 25125
13649 1 20 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.748 -1.759 25125
13650 1 20 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.039 -0.285 25125
13651 1 20 . 1 1 108 108 ILE H H 108 8.860 8.860 8.784 0.076 25125
13652 1 20 . 1 1 109 109 ASP N N 109 120.058 120.058 119.089 0.969 25125
13653 1 20 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.363 0.025 25125
13654 1 20 . 1 1 109 109 ASP C C 109 179.786 179.786 179.218 0.568 25125
13655 1 20 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.592 -0.098 25125
13656 1 20 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.932 0.122 25125
13657 1 20 . 1 1 109 109 ASP H H 109 8.079 8.079 8.644 -0.565 25125
13658 1 20 . 1 1 110 110 GLU N N 110 121.559 121.559 119.373 2.186 25125
13659 1 20 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.193 -0.125 25125
13660 1 20 . 1 1 110 110 GLU C C 110 179.043 179.043 178.537 0.506 25125
13661 1 20 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.358 0.468 25125
13662 1 20 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.997 -0.654 25125
13663 1 20 . 1 1 110 110 GLU H H 110 8.012 8.012 8.105 -0.093 25125
13664 1 20 . 1 1 111 111 ALA N N 111 122.267 122.267 123.622 -1.355 25125
13665 1 20 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.967 -0.213 25125
13666 1 20 . 1 1 111 111 ALA C C 111 178.493 178.493 179.576 -1.083 25125
13667 1 20 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.362 -0.190 25125
13668 1 20 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.238 0.144 25125
13669 1 20 . 1 1 111 111 ALA H H 111 7.897 7.897 7.844 0.053 25125
13670 1 20 . 1 1 112 112 VAL N N 112 116.527 116.527 117.527 -1.000 25125
13671 1 20 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.624 -0.457 25125
13672 1 20 . 1 1 112 112 VAL C C 112 177.201 177.201 178.015 -0.814 25125
13673 1 20 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.668 0.477 25125
13674 1 20 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.036 0.516 25125
13675 1 20 . 1 1 112 112 VAL H H 112 8.018 8.018 8.488 -0.470 25125
13676 1 20 . 1 1 113 113 ALA N N 113 119.895 119.895 120.784 -0.889 25125
13677 1 20 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.274 -0.136 25125
13678 1 20 . 1 1 113 113 ALA CA C 113 54.832 54.832 53.868 0.964 25125
13679 1 20 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.920 -1.048 25125
13680 1 20 . 1 1 113 113 ALA H H 113 7.673 7.673 7.341 0.332 25125
13681 1 20 . 1 1 114 114 LEU N N 114 120.650 120.650 120.701 -0.051 25125
13682 1 20 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.125 -0.042 25125
13683 1 20 . 1 1 114 114 LEU C C 114 178.466 178.466 178.484 -0.018 25125
13684 1 20 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.654 0.366 25125
13685 1 20 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.102 -0.269 25125
13686 1 20 . 1 1 114 114 LEU H H 114 7.840 7.840 7.692 0.148 25125
13687 1 20 . 1 1 115 115 VAL N N 115 119.480 119.480 118.698 0.782 25125
13688 1 20 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.445 -0.233 25125
13689 1 20 . 1 1 115 115 VAL C C 115 177.448 177.448 177.010 0.438 25125
13690 1 20 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.416 0.785 25125
13691 1 20 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.919 -1.248 25125
13692 1 20 . 1 1 115 115 VAL H H 115 7.824 7.824 8.102 -0.278 25125
13693 1 20 . 1 1 116 116 GLU N N 116 117.473 117.473 118.527 -1.054 25125
13694 1 20 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.923 -0.134 25125
13695 1 20 . 1 1 116 116 GLU C C 116 179.566 179.566 178.494 1.072 25125
13696 1 20 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.349 0.581 25125
13697 1 20 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.387 -0.290 25125
13698 1 20 . 1 1 116 116 GLU H H 116 8.465 8.465 7.828 0.637 25125
13699 1 20 . 1 1 117 117 ARG N N 117 120.128 120.128 119.055 1.073 25125
13700 1 20 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.097 -0.033 25125
13701 1 20 . 1 1 117 117 ARG C C 117 178.438 178.438 177.193 1.245 25125
13702 1 20 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.476 0.802 25125
13703 1 20 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.063 0.214 25125
13704 1 20 . 1 1 117 117 ARG H H 117 8.012 8.012 7.526 0.486 25125
13705 1 20 . 1 1 118 118 ALA N N 118 122.270 122.270 120.529 1.741 25125
13706 1 20 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.834 -0.378 25125
13707 1 20 . 1 1 118 118 ALA C C 118 178.741 178.741 178.307 0.434 25125
13708 1 20 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.929 0.649 25125
13709 1 20 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.115 -0.957 25125
13710 1 20 . 1 1 118 118 ALA H H 118 7.958 7.958 7.308 0.650 25125
13711 1 20 . 1 1 119 119 ILE N N 119 115.269 115.269 117.120 -1.851 25125
13712 1 20 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.288 -0.560 25125
13713 1 20 . 1 1 119 119 ILE C C 119 177.366 177.366 178.517 -1.151 25125
13714 1 20 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.072 -0.403 25125
13715 1 20 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.547 -0.749 25125
13716 1 20 . 1 1 119 119 ILE H H 119 7.753 7.753 7.766 -0.013 25125
13717 1 20 . 1 1 120 120 SER N N 120 115.135 115.135 115.476 -0.341 25125
13718 1 20 . 1 1 120 120 SER HA H 120 4.275 4.275 4.124 0.151 25125
13719 1 20 . 1 1 120 120 SER C C 120 175.084 175.084 176.012 -0.928 25125
13720 1 20 . 1 1 120 120 SER CA C 120 59.816 59.816 61.221 -1.405 25125
13721 1 20 . 1 1 120 120 SER CB C 120 63.380 63.380 62.706 0.674 25125
13722 1 20 . 1 1 120 120 SER H H 120 7.816 7.816 8.295 -0.479 25125
13723 1 20 . 1 1 121 121 HIS N N 121 119.908 119.908 118.865 1.043 25125
13724 1 20 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.273 0.149 25125
13725 1 20 . 1 1 121 121 HIS C C 121 175.029 175.029 176.116 -1.087 25125
13726 1 20 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.575 -1.339 25125
13727 1 20 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.362 0.066 25125
13728 1 20 . 1 1 121 121 HIS H H 121 7.910 7.910 7.773 0.137 25125
13729 1 20 . 1 1 122 122 TYR N N 122 118.880 118.880 116.999 1.881 25125
13730 1 20 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.436 -0.010 25125
13731 1 20 . 1 1 122 122 TYR C C 122 175.276 175.276 177.579 -2.303 25125
13732 1 20 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.481 -1.032 25125
13733 1 20 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.849 -0.245 25125
13734 1 20 . 1 1 122 122 TYR H H 122 7.766 7.766 7.898 -0.132 25125
13735 1 20 . 1 1 123 123 GLN N N 123 121.479 121.479 119.165 2.314 25125
13736 1 20 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.186 0.084 25125
13737 1 20 . 1 1 123 123 GLN C C 123 174.534 174.534 176.139 -1.605 25125
13738 1 20 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.795 -2.284 25125
13739 1 20 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.301 0.467 25125
13740 1 20 . 1 1 123 123 GLN H H 123 7.878 7.878 7.853 0.025 25125
13741 1 21 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.478 -0.045 25125
13742 1 21 . 1 1 2 2 GLN CA C 2 55.564 55.564 57.660 -2.096 25125
13743 1 21 . 1 1 2 2 GLN CB C 2 29.600 29.600 29.412 0.188 25125
13744 1 21 . 1 1 3 3 ARG N N 3 121.252 121.252 119.264 1.988 25125
13745 1 21 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.446 -0.081 25125
13746 1 21 . 1 1 3 3 ARG C C 3 175.634 175.634 175.112 0.522 25125
13747 1 21 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.278 -0.287 25125
13748 1 21 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.522 0.775 25125
13749 1 21 . 1 1 3 3 ARG H H 3 8.429 8.429 8.776 -0.347 25125
13750 1 21 . 1 1 4 4 GLY N N 4 107.663 107.663 109.416 -1.753 25125
13751 1 21 . 1 1 4 4 GLY C C 4 171.041 171.041 173.563 -2.522 25125
13752 1 21 . 1 1 4 4 GLY CA C 4 45.316 45.316 45.048 0.268 25125
13753 1 21 . 1 1 4 4 GLY H H 4 7.963 7.963 8.051 -0.088 25125
13754 1 21 . 1 1 5 5 ILE N N 5 122.603 122.603 125.124 -2.521 25125
13755 1 21 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.009 0.690 25125
13756 1 21 . 1 1 5 5 ILE C C 5 175.359 175.359 174.996 0.363 25125
13757 1 21 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.917 -1.307 25125
13758 1 21 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.266 0.310 25125
13759 1 21 . 1 1 5 5 ILE H H 5 9.610 9.610 8.151 1.459 25125
13760 1 21 . 1 1 6 6 VAL N N 6 127.905 127.905 125.289 2.616 25125
13761 1 21 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.043 -0.231 25125
13762 1 21 . 1 1 6 6 VAL C C 6 174.204 174.204 175.679 -1.475 25125
13763 1 21 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.567 -1.008 25125
13764 1 21 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.783 0.743 25125
13765 1 21 . 1 1 6 6 VAL H H 6 9.090 9.090 7.871 1.219 25125
13766 1 21 . 1 1 7 7 TRP N N 7 127.467 127.467 127.594 -0.127 25125
13767 1 21 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.308 1.146 25125
13768 1 21 . 1 1 7 7 TRP C C 7 175.056 175.056 175.252 -0.196 25125
13769 1 21 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.421 -1.543 25125
13770 1 21 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.647 0.487 25125
13771 1 21 . 1 1 7 7 TRP H H 7 8.497 8.497 8.301 0.196 25125
13772 1 21 . 1 1 8 8 VAL N N 8 122.068 122.068 118.416 3.652 25125
13773 1 21 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.535 0.551 25125
13774 1 21 . 1 1 8 8 VAL C C 8 173.874 173.874 173.836 0.038 25125
13775 1 21 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.020 -0.534 25125
13776 1 21 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.211 -0.496 25125
13777 1 21 . 1 1 8 8 VAL H H 8 8.583 8.583 9.501 -0.918 25125
13778 1 21 . 1 1 9 9 VAL N N 9 127.733 127.733 125.647 2.086 25125
13779 1 21 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.632 0.329 25125
13780 1 21 . 1 1 9 9 VAL C C 9 173.131 173.131 174.243 -1.112 25125
13781 1 21 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.065 -0.390 25125
13782 1 21 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.056 0.855 25125
13783 1 21 . 1 1 9 9 VAL H H 9 9.107 9.107 8.587 0.520 25125
13784 1 21 . 1 1 10 10 ASP N N 10 124.306 124.306 125.204 -0.898 25125
13785 1 21 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.894 -0.326 25125
13786 1 21 . 1 1 10 10 ASP C C 10 175.029 175.029 174.684 0.345 25125
13787 1 21 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.679 2.068 25125
13788 1 21 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.969 0.140 25125
13789 1 21 . 1 1 10 10 ASP H H 10 7.775 7.775 7.871 -0.096 25125
13790 1 21 . 1 1 11 11 ASP N N 11 126.714 126.714 117.646 9.068 25125
13791 1 21 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.857 -0.322 25125
13792 1 21 . 1 1 11 11 ASP C C 11 175.689 175.689 174.558 1.131 25125
13793 1 21 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.263 2.455 25125
13794 1 21 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.489 0.585 25125
13795 1 21 . 1 1 11 11 ASP H H 11 9.033 9.033 8.510 0.523 25125
13796 1 21 . 1 1 12 12 ASP N N 12 121.877 121.877 119.895 1.982 25125
13797 1 21 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.932 -0.286 25125
13798 1 21 . 1 1 12 12 ASP C C 12 177.036 177.036 176.575 0.461 25125
13799 1 21 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.023 0.280 25125
13800 1 21 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.207 -3.043 25125
13801 1 21 . 1 1 12 12 ASP H H 12 9.570 9.570 8.068 1.502 25125
13802 1 21 . 1 1 13 13 SER N N 13 123.799 123.799 117.793 6.006 25125
13803 1 21 . 1 1 13 13 SER HA H 13 3.761 3.761 4.358 -0.597 25125
13804 1 21 . 1 1 13 13 SER C C 13 176.156 176.156 176.199 -0.043 25125
13805 1 21 . 1 1 13 13 SER CA C 13 61.186 61.186 61.508 -0.322 25125
13806 1 21 . 1 1 13 13 SER CB C 13 62.749 62.749 63.289 -0.540 25125
13807 1 21 . 1 1 13 13 SER H H 13 8.850 8.850 8.830 0.020 25125
13808 1 21 . 1 1 14 14 SER N N 14 119.123 119.123 117.431 1.692 25125
13809 1 21 . 1 1 14 14 SER HA H 14 4.361 4.361 4.345 0.016 25125
13810 1 21 . 1 1 14 14 SER C C 14 176.404 176.404 176.823 -0.419 25125
13811 1 21 . 1 1 14 14 SER CA C 14 61.730 61.730 61.836 -0.106 25125
13812 1 21 . 1 1 14 14 SER CB C 14 62.548 62.548 62.416 0.133 25125
13813 1 21 . 1 1 14 14 SER H H 14 8.531 8.531 8.704 -0.173 25125
13814 1 21 . 1 1 15 15 ILE N N 15 123.637 123.637 121.825 1.812 25125
13815 1 21 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.867 0.078 25125
13816 1 21 . 1 1 15 15 ILE C C 15 177.861 177.861 178.142 -0.281 25125
13817 1 21 . 1 1 15 15 ILE CA C 15 61.200 61.200 64.417 -3.217 25125
13818 1 21 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.745 -0.859 25125
13819 1 21 . 1 1 15 15 ILE H H 15 7.206 7.206 8.268 -1.062 25125
13820 1 21 . 1 1 16 16 ARG N N 16 116.694 116.694 118.818 -2.124 25125
13821 1 21 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.243 -0.520 25125
13822 1 21 . 1 1 16 16 ARG C C 16 177.448 177.448 178.473 -1.025 25125
13823 1 21 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.691 2.882 25125
13824 1 21 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.623 0.824 25125
13825 1 21 . 1 1 16 16 ARG H H 16 7.562 7.562 7.866 -0.304 25125
13826 1 21 . 1 1 17 17 TRP N N 17 116.848 116.848 122.739 -5.891 25125
13827 1 21 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.361 0.110 25125
13828 1 21 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.025 -0.585 25125
13829 1 21 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.541 -0.249 25125
13830 1 21 . 1 1 17 17 TRP H H 17 8.005 8.005 7.908 0.097 25125
13831 1 21 . 1 1 18 18 VAL N N 18 116.964 116.964 119.954 -2.990 25125
13832 1 21 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.847 0.828 25125
13833 1 21 . 1 1 18 18 VAL C C 18 179.181 179.181 177.533 1.648 25125
13834 1 21 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.483 0.225 25125
13835 1 21 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.387 0.250 25125
13836 1 21 . 1 1 18 18 VAL H H 18 8.110 8.110 8.722 -0.612 25125
13837 1 21 . 1 1 19 19 LEU N N 19 120.186 120.186 117.790 2.396 25125
13838 1 21 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.075 0.000 25125
13839 1 21 . 1 1 19 19 LEU C C 19 177.778 177.778 179.000 -1.222 25125
13840 1 21 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.677 0.145 25125
13841 1 21 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.385 0.396 25125
13842 1 21 . 1 1 19 19 LEU H H 19 8.073 8.073 7.505 0.568 25125
13843 1 21 . 1 1 20 20 GLU N N 20 120.193 120.193 119.622 0.571 25125
13844 1 21 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.026 -0.085 25125
13845 1 21 . 1 1 20 20 GLU C C 20 178.603 178.603 178.733 -0.130 25125
13846 1 21 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.410 1.200 25125
13847 1 21 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.787 -0.699 25125
13848 1 21 . 1 1 20 20 GLU H H 20 8.387 8.387 8.194 0.193 25125
13849 1 21 . 1 1 21 21 ARG N N 21 116.076 116.076 118.646 -2.570 25125
13850 1 21 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.876 0.017 25125
13851 1 21 . 1 1 21 21 ARG C C 21 179.676 179.676 178.599 1.077 25125
13852 1 21 . 1 1 21 21 ARG CA C 21 58.449 58.449 57.477 0.972 25125
13853 1 21 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.734 1.119 25125
13854 1 21 . 1 1 21 21 ARG H H 21 7.602 7.602 7.923 -0.321 25125
13855 1 21 . 1 1 22 22 ALA N N 22 122.405 122.405 121.557 0.848 25125
13856 1 21 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.025 0.072 25125
13857 1 21 . 1 1 22 22 ALA C C 22 180.501 180.501 179.964 0.537 25125
13858 1 21 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.917 -0.339 25125
13859 1 21 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.121 1.111 25125
13860 1 21 . 1 1 22 22 ALA H H 22 7.992 7.992 7.694 0.298 25125
13861 1 21 . 1 1 23 23 LEU N N 23 118.026 118.026 118.085 -0.059 25125
13862 1 21 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.024 -0.023 25125
13863 1 21 . 1 1 23 23 LEU C C 23 178.878 178.878 179.277 -0.399 25125
13864 1 21 . 1 1 23 23 LEU CA C 23 57.721 57.721 57.054 0.667 25125
13865 1 21 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.765 -2.110 25125
13866 1 21 . 1 1 23 23 LEU H H 23 8.825 8.825 7.468 1.357 25125
13867 1 21 . 1 1 24 24 ALA N N 24 122.159 122.159 121.168 0.991 25125
13868 1 21 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.021 0.612 25125
13869 1 21 . 1 1 24 24 ALA C C 24 183.141 183.141 178.742 4.399 25125
13870 1 21 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.354 0.393 25125
13871 1 21 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.585 -0.883 25125
13872 1 21 . 1 1 24 24 ALA H H 24 8.125 8.125 8.255 -0.130 25125
13873 1 21 . 1 1 25 25 GLY N N 25 106.891 106.891 105.294 1.597 25125
13874 1 21 . 1 1 25 25 GLY C C 25 174.286 174.286 174.140 0.146 25125
13875 1 21 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.029 1.392 25125
13876 1 21 . 1 1 25 25 GLY H H 25 7.870 7.870 7.917 -0.047 25125
13877 1 21 . 1 1 26 26 ALA N N 26 121.819 121.819 122.713 -0.894 25125
13878 1 21 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.664 -0.165 25125
13879 1 21 . 1 1 26 26 ALA C C 26 176.953 176.953 177.213 -0.260 25125
13880 1 21 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.171 0.348 25125
13881 1 21 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.477 -1.754 25125
13882 1 21 . 1 1 26 26 ALA H H 26 7.285 7.285 7.344 -0.059 25125
13883 1 21 . 1 1 27 27 GLY N N 27 106.197 106.197 106.872 -0.675 25125
13884 1 21 . 1 1 27 27 GLY C C 27 173.956 173.956 173.394 0.562 25125
13885 1 21 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.384 0.932 25125
13886 1 21 . 1 1 27 27 GLY H H 27 7.824 7.824 8.502 -0.678 25125
13887 1 21 . 1 1 28 28 LEU N N 28 120.291 120.291 118.346 1.945 25125
13888 1 21 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.809 -0.234 25125
13889 1 21 . 1 1 28 28 LEU C C 28 175.881 175.881 175.947 -0.066 25125
13890 1 21 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.509 0.134 25125
13891 1 21 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.523 -2.038 25125
13892 1 21 . 1 1 28 28 LEU H H 28 7.678 7.678 7.135 0.543 25125
13893 1 21 . 1 1 29 29 THR N N 29 118.040 118.040 116.890 1.150 25125
13894 1 21 . 1 1 29 29 THR HA H 29 4.335 4.335 4.257 0.078 25125
13895 1 21 . 1 1 29 29 THR C C 29 173.186 173.186 174.110 -0.924 25125
13896 1 21 . 1 1 29 29 THR CA C 29 62.479 62.479 63.944 -1.465 25125
13897 1 21 . 1 1 29 29 THR CB C 29 69.465 69.465 69.458 0.007 25125
13898 1 21 . 1 1 29 29 THR H H 29 8.527 8.527 8.391 0.136 25125
13899 1 21 . 1 1 30 30 CYS N N 30 128.387 128.387 120.941 7.446 25125
13900 1 21 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.340 0.603 25125
13901 1 21 . 1 1 30 30 CYS C C 30 173.846 173.846 174.139 -0.293 25125
13902 1 21 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.337 0.025 25125
13903 1 21 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.074 -1.594 25125
13904 1 21 . 1 1 30 30 CYS H H 30 8.968 8.968 8.297 0.671 25125
13905 1 21 . 1 1 31 31 THR N N 31 126.481 126.481 123.410 3.071 25125
13906 1 21 . 1 1 31 31 THR HA H 31 4.433 4.433 4.433 -0.000 25125
13907 1 21 . 1 1 31 31 THR C C 31 172.609 172.609 173.438 -0.829 25125
13908 1 21 . 1 1 31 31 THR CA C 31 61.951 61.951 61.578 0.374 25125
13909 1 21 . 1 1 31 31 THR CB C 31 70.567 70.567 70.137 0.430 25125
13910 1 21 . 1 1 31 31 THR H H 31 8.614 8.614 8.551 0.063 25125
13911 1 21 . 1 1 32 32 THR N N 32 116.418 116.418 118.875 -2.457 25125
13912 1 21 . 1 1 32 32 THR HA H 32 5.330 5.330 4.781 0.549 25125
13913 1 21 . 1 1 32 32 THR C C 32 172.306 172.306 173.221 -0.915 25125
13914 1 21 . 1 1 32 32 THR CA C 32 59.173 59.173 60.478 -1.305 25125
13915 1 21 . 1 1 32 32 THR CB C 32 70.917 70.917 69.562 1.355 25125
13916 1 21 . 1 1 32 32 THR H H 32 8.299 8.299 8.285 0.014 25125
13917 1 21 . 1 1 33 33 PHE N N 33 118.067 118.067 123.725 -5.658 25125
13918 1 21 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.589 0.054 25125
13919 1 21 . 1 1 33 33 PHE C C 33 174.341 174.341 174.980 -0.639 25125
13920 1 21 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.598 -0.066 25125
13921 1 21 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.146 1.163 25125
13922 1 21 . 1 1 33 33 PHE H H 33 8.890 8.890 8.591 0.299 25125
13923 1 21 . 1 1 34 34 GLU N N 34 118.499 118.499 115.099 3.400 25125
13924 1 21 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.805 -0.451 25125
13925 1 21 . 1 1 34 34 GLU C C 34 175.414 175.414 175.034 0.380 25125
13926 1 21 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.501 1.191 25125
13927 1 21 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.855 0.612 25125
13928 1 21 . 1 1 34 34 GLU H H 34 9.023 9.023 8.689 0.334 25125
13929 1 21 . 1 1 35 35 ASN N N 35 109.907 109.907 117.561 -7.654 25125
13930 1 21 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.906 -0.125 25125
13931 1 21 . 1 1 35 35 ASN C C 35 175.139 175.139 176.273 -1.134 25125
13932 1 21 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.145 -0.999 25125
13933 1 21 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.973 1.350 25125
13934 1 21 . 1 1 35 35 ASN H H 35 7.401 7.401 7.556 -0.155 25125
13935 1 21 . 1 1 36 36 GLY N N 36 106.739 106.739 113.812 -7.073 25125
13936 1 21 . 1 1 36 36 GLY C C 36 174.616 174.616 175.092 -0.476 25125
13937 1 21 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.303 -0.287 25125
13938 1 21 . 1 1 36 36 GLY H H 36 8.877 8.877 9.034 -0.157 25125
13939 1 21 . 1 1 37 37 ASN N N 37 120.462 120.462 118.815 1.647 25125
13940 1 21 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.433 -0.071 25125
13941 1 21 . 1 1 37 37 ASN C C 37 178.686 178.686 177.444 1.242 25125
13942 1 21 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.742 0.790 25125
13943 1 21 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.648 -1.064 25125
13944 1 21 . 1 1 37 37 ASN H H 37 8.366 8.366 8.233 0.133 25125
13945 1 21 . 1 1 38 38 GLU N N 38 119.360 119.360 117.980 1.380 25125
13946 1 21 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.210 -0.140 25125
13947 1 21 . 1 1 38 38 GLU C C 38 179.263 179.263 177.605 1.658 25125
13948 1 21 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.987 0.645 25125
13949 1 21 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.039 0.493 25125
13950 1 21 . 1 1 38 38 GLU H H 38 7.990 7.990 8.002 -0.012 25125
13951 1 21 . 1 1 39 39 VAL N N 39 119.259 119.259 119.419 -0.160 25125
13952 1 21 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.085 -0.317 25125
13953 1 21 . 1 1 39 39 VAL C C 39 176.431 176.431 177.305 -0.874 25125
13954 1 21 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.196 -0.253 25125
13955 1 21 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.842 -0.767 25125
13956 1 21 . 1 1 39 39 VAL H H 39 6.883 6.883 7.446 -0.563 25125
13957 1 21 . 1 1 40 40 LEU N N 40 119.627 119.627 120.971 -1.344 25125
13958 1 21 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.983 -0.056 25125
13959 1 21 . 1 1 40 40 LEU C C 40 179.538 179.538 178.061 1.477 25125
13960 1 21 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.018 -0.078 25125
13961 1 21 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.558 -0.490 25125
13962 1 21 . 1 1 40 40 LEU H H 40 7.692 7.692 8.305 -0.613 25125
13963 1 21 . 1 1 41 41 ALA N N 41 120.051 120.051 119.933 0.118 25125
13964 1 21 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.139 0.001 25125
13965 1 21 . 1 1 41 41 ALA C C 41 180.528 180.528 179.701 0.827 25125
13966 1 21 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.510 0.140 25125
13967 1 21 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.974 -0.108 25125
13968 1 21 . 1 1 41 41 ALA H H 41 7.553 7.553 7.843 -0.290 25125
13969 1 21 . 1 1 42 42 ALA N N 42 122.731 122.731 122.543 0.188 25125
13970 1 21 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.164 0.035 25125
13971 1 21 . 1 1 42 42 ALA C C 42 180.198 180.198 180.314 -0.116 25125
13972 1 21 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.499 0.533 25125
13973 1 21 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.179 1.220 25125
13974 1 21 . 1 1 42 42 ALA H H 42 7.604 7.604 7.274 0.330 25125
13975 1 21 . 1 1 43 43 LEU N N 43 119.131 119.131 118.222 0.909 25125
13976 1 21 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.168 1.038 25125
13977 1 21 . 1 1 43 43 LEU C C 43 177.421 177.421 179.128 -1.707 25125
13978 1 21 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.370 -1.825 25125
13979 1 21 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.268 1.336 25125
13980 1 21 . 1 1 43 43 LEU H H 43 8.288 8.288 7.921 0.367 25125
13981 1 21 . 1 1 44 44 ALA N N 44 119.065 119.065 119.308 -0.243 25125
13982 1 21 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.358 -0.129 25125
13983 1 21 . 1 1 44 44 ALA C C 44 178.686 178.686 177.998 0.688 25125
13984 1 21 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.346 0.892 25125
13985 1 21 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.647 -0.131 25125
13986 1 21 . 1 1 44 44 ALA H H 44 7.302 7.302 7.882 -0.580 25125
13987 1 21 . 1 1 45 45 SER N N 45 108.656 108.656 113.338 -4.682 25125
13988 1 21 . 1 1 45 45 SER HA H 45 4.742 4.742 4.657 0.085 25125
13989 1 21 . 1 1 45 45 SER C C 45 173.296 173.296 174.852 -1.556 25125
13990 1 21 . 1 1 45 45 SER CA C 45 58.656 58.656 59.417 -0.761 25125
13991 1 21 . 1 1 45 45 SER CB C 45 65.407 65.407 64.583 0.824 25125
13992 1 21 . 1 1 45 45 SER H H 45 7.728 7.728 7.959 -0.231 25125
13993 1 21 . 1 1 46 46 LYS N N 46 123.016 123.016 120.222 2.794 25125
13994 1 21 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.380 0.206 25125
13995 1 21 . 1 1 46 46 LYS C C 46 172.719 172.719 175.044 -2.325 25125
13996 1 21 . 1 1 46 46 LYS CA C 46 55.512 55.512 57.031 -1.519 25125
13997 1 21 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.733 2.492 25125
13998 1 21 . 1 1 46 46 LYS H H 46 8.101 8.101 7.422 0.679 25125
13999 1 21 . 1 1 47 47 THR N N 47 111.780 111.780 115.161 -3.381 25125
14000 1 21 . 1 1 47 47 THR HA H 47 4.282 4.282 3.897 0.385 25125
14001 1 21 . 1 1 47 47 THR CA C 47 57.806 57.806 62.469 -4.663 25125
14002 1 21 . 1 1 47 47 THR CB C 47 70.594 70.594 67.930 2.664 25125
14003 1 21 . 1 1 47 47 THR H H 47 7.677 7.677 7.952 -0.275 25125
14004 1 21 . 1 1 48 48 PRO HA H 48 3.905 3.905 4.080 -0.175 25125
14005 1 21 . 1 1 48 48 PRO C C 48 172.966 172.966 175.081 -2.115 25125
14006 1 21 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.474 -1.609 25125
14007 1 21 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.580 -1.303 25125
14008 1 21 . 1 1 49 49 ASP N N 49 115.035 115.035 117.642 -2.607 25125
14009 1 21 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.883 -0.439 25125
14010 1 21 . 1 1 49 49 ASP C C 49 175.634 175.634 175.356 0.278 25125
14011 1 21 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.423 2.024 25125
14012 1 21 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.496 -0.984 25125
14013 1 21 . 1 1 49 49 ASP H H 49 8.502 8.502 8.084 0.418 25125
14014 1 21 . 1 1 50 50 VAL N N 50 112.082 112.082 116.258 -4.176 25125
14015 1 21 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.347 -0.067 25125
14016 1 21 . 1 1 50 50 VAL C C 50 171.454 171.454 172.930 -1.476 25125
14017 1 21 . 1 1 50 50 VAL CA C 50 60.562 60.562 62.190 -1.628 25125
14018 1 21 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.061 0.575 25125
14019 1 21 . 1 1 50 50 VAL H H 50 7.173 7.173 7.095 0.078 25125
14020 1 21 . 1 1 51 51 LEU N N 51 128.247 128.247 126.999 1.248 25125
14021 1 21 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.265 0.054 25125
14022 1 21 . 1 1 51 51 LEU C C 51 173.104 173.104 175.484 -2.380 25125
14023 1 21 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.460 -0.242 25125
14024 1 21 . 1 1 51 51 LEU CB C 51 46.506 46.506 45.571 0.935 25125
14025 1 21 . 1 1 51 51 LEU H H 51 8.059 8.059 8.348 -0.289 25125
14026 1 21 . 1 1 52 52 LEU N N 52 128.407 128.407 120.698 7.709 25125
14027 1 21 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.929 0.572 25125
14028 1 21 . 1 1 52 52 LEU C C 52 175.414 175.414 175.881 -0.467 25125
14029 1 21 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.650 -0.327 25125
14030 1 21 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.271 1.250 25125
14031 1 21 . 1 1 52 52 LEU H H 52 9.242 9.242 8.188 1.054 25125
14032 1 21 . 1 1 53 53 SER N N 53 114.946 114.946 117.269 -2.323 25125
14033 1 21 . 1 1 53 53 SER HA H 53 5.595 5.595 4.510 1.085 25125
14034 1 21 . 1 1 53 53 SER C C 53 174.644 174.644 173.963 0.681 25125
14035 1 21 . 1 1 53 53 SER CA C 53 55.954 55.954 58.653 -2.699 25125
14036 1 21 . 1 1 53 53 SER CB C 53 66.473 66.473 64.718 1.755 25125
14037 1 21 . 1 1 53 53 SER H H 53 8.695 8.695 7.870 0.825 25125
14038 1 21 . 1 1 54 54 ASP N N 54 128.341 128.341 126.988 1.353 25125
14039 1 21 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.852 0.473 25125
14040 1 21 . 1 1 54 54 ASP C C 54 176.816 176.816 176.092 0.724 25125
14041 1 21 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.972 1.521 25125
14042 1 21 . 1 1 54 54 ASP CB C 54 42.328 42.328 41.615 0.713 25125
14043 1 21 . 1 1 54 54 ASP H H 54 7.886 7.886 8.544 -0.658 25125
14044 1 21 . 1 1 55 55 ILE N N 55 121.229 121.229 119.347 1.882 25125
14045 1 21 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.734 0.451 25125
14046 1 21 . 1 1 55 55 ILE C C 55 175.084 175.084 174.038 1.046 25125
14047 1 21 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.359 -0.817 25125
14048 1 21 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.671 3.358 25125
14049 1 21 . 1 1 55 55 ILE H H 55 8.722 8.722 7.479 1.243 25125
14050 1 21 . 1 1 56 56 ARG N N 56 124.188 124.188 127.323 -3.135 25125
14051 1 21 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.547 -0.042 25125
14052 1 21 . 1 1 56 56 ARG C C 56 175.661 175.661 173.412 2.249 25125
14053 1 21 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.870 -0.429 25125
14054 1 21 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.878 -1.516 25125
14055 1 21 . 1 1 56 56 ARG H H 56 8.499 8.499 8.409 0.090 25125
14056 1 21 . 1 1 57 57 MET N N 57 122.581 122.581 120.090 2.491 25125
14057 1 21 . 1 1 57 57 MET HA H 57 4.821 4.821 4.968 -0.147 25125
14058 1 21 . 1 1 57 57 MET CA C 57 53.132 53.132 54.079 -0.947 25125
14059 1 21 . 1 1 57 57 MET CB C 57 33.445 33.445 33.410 0.035 25125
14060 1 21 . 1 1 57 57 MET H H 57 7.956 7.956 7.912 0.044 25125
14061 1 21 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.415 -0.022 25125
14062 1 21 . 1 1 58 58 PRO C C 58 177.806 177.806 177.911 -0.105 25125
14063 1 21 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.357 -0.858 25125
14064 1 21 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.992 -0.185 25125
14065 1 21 . 1 1 59 59 GLY N N 59 111.082 111.082 108.494 2.588 25125
14066 1 21 . 1 1 59 59 GLY C C 59 173.626 173.626 174.347 -0.721 25125
14067 1 21 . 1 1 59 59 GLY CA C 59 45.590 45.590 44.712 0.878 25125
14068 1 21 . 1 1 59 59 GLY H H 59 8.653 8.653 8.322 0.331 25125
14069 1 21 . 1 1 60 60 MET N N 60 120.052 120.052 120.745 -0.693 25125
14070 1 21 . 1 1 60 60 MET HA H 60 4.525 4.525 4.410 0.115 25125
14071 1 21 . 1 1 60 60 MET C C 60 173.956 173.956 176.674 -2.718 25125
14072 1 21 . 1 1 60 60 MET CA C 60 55.047 55.047 55.522 -0.475 25125
14073 1 21 . 1 1 60 60 MET CB C 60 34.506 34.506 33.823 0.683 25125
14074 1 21 . 1 1 60 60 MET H H 60 7.968 7.968 8.355 -0.387 25125
14075 1 21 . 1 1 61 61 ASP N N 61 121.306 121.306 119.993 1.313 25125
14076 1 21 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.486 0.218 25125
14077 1 21 . 1 1 61 61 ASP C C 61 176.761 176.761 177.298 -0.537 25125
14078 1 21 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.723 -1.994 25125
14079 1 21 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.189 -0.120 25125
14080 1 21 . 1 1 61 61 ASP H H 61 8.379 8.379 8.516 -0.137 25125
14081 1 21 . 1 1 62 62 GLY N N 62 110.874 110.874 106.883 3.991 25125
14082 1 21 . 1 1 62 62 GLY C C 62 175.194 175.194 175.371 -0.177 25125
14083 1 21 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.971 1.131 25125
14084 1 21 . 1 1 62 62 GLY H H 62 8.707 8.707 8.196 0.511 25125
14085 1 21 . 1 1 63 63 LEU N N 63 121.299 121.299 121.576 -0.277 25125
14086 1 21 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.644 -0.467 25125
14087 1 21 . 1 1 63 63 LEU C C 63 178.356 178.356 177.975 0.381 25125
14088 1 21 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.513 1.365 25125
14089 1 21 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.407 0.831 25125
14090 1 21 . 1 1 63 63 LEU H H 63 8.045 8.045 7.757 0.288 25125
14091 1 21 . 1 1 64 64 ALA N N 64 122.741 122.741 123.343 -0.602 25125
14092 1 21 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.097 -0.035 25125
14093 1 21 . 1 1 64 64 ALA C C 64 180.556 180.556 178.998 1.558 25125
14094 1 21 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.118 -0.503 25125
14095 1 21 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.114 -0.114 25125
14096 1 21 . 1 1 64 64 ALA H H 64 7.859 7.859 8.246 -0.387 25125
14097 1 21 . 1 1 65 65 LEU N N 65 120.287 120.287 115.350 4.937 25125
14098 1 21 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.444 -0.382 25125
14099 1 21 . 1 1 65 65 LEU C C 65 178.191 178.191 178.872 -0.681 25125
14100 1 21 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.700 1.319 25125
14101 1 21 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.223 -0.985 25125
14102 1 21 . 1 1 65 65 LEU H H 65 8.022 8.022 7.708 0.314 25125
14103 1 21 . 1 1 66 66 LEU N N 66 118.738 118.738 121.993 -3.255 25125
14104 1 21 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.058 -0.200 25125
14105 1 21 . 1 1 66 66 LEU C C 66 178.631 178.631 178.708 -0.077 25125
14106 1 21 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.482 0.864 25125
14107 1 21 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.967 0.271 25125
14108 1 21 . 1 1 66 66 LEU H H 66 8.101 8.101 7.770 0.331 25125
14109 1 21 . 1 1 67 67 LYS N N 67 117.842 117.842 116.693 1.149 25125
14110 1 21 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.007 -0.025 25125
14111 1 21 . 1 1 67 67 LYS C C 67 179.263 179.263 179.522 -0.259 25125
14112 1 21 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.799 0.998 25125
14113 1 21 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.748 0.459 25125
14114 1 21 . 1 1 67 67 LYS H H 67 8.010 8.010 8.269 -0.259 25125
14115 1 21 . 1 1 68 68 GLN N N 68 118.875 118.875 118.517 0.358 25125
14116 1 21 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.206 -0.150 25125
14117 1 21 . 1 1 68 68 GLN C C 68 179.071 179.071 178.067 1.004 25125
14118 1 21 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.569 0.504 25125
14119 1 21 . 1 1 68 68 GLN CB C 68 28.611 28.611 29.074 -0.463 25125
14120 1 21 . 1 1 68 68 GLN H H 68 7.809 7.809 7.977 -0.168 25125
14121 1 21 . 1 1 69 69 ILE N N 69 120.377 120.377 120.271 0.106 25125
14122 1 21 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.945 -0.415 25125
14123 1 21 . 1 1 69 69 ILE C C 69 177.421 177.421 178.853 -1.432 25125
14124 1 21 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.969 0.909 25125
14125 1 21 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.505 0.078 25125
14126 1 21 . 1 1 69 69 ILE H H 69 8.481 8.481 7.842 0.639 25125
14127 1 21 . 1 1 70 70 LYS N N 70 117.873 117.873 119.157 -1.284 25125
14128 1 21 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.049 -0.089 25125
14129 1 21 . 1 1 70 70 LYS C C 70 178.053 178.053 178.554 -0.501 25125
14130 1 21 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.780 -2.692 25125
14131 1 21 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.190 -0.978 25125
14132 1 21 . 1 1 70 70 LYS H H 70 8.220 8.220 7.806 0.414 25125
14133 1 21 . 1 1 71 71 GLN N N 71 116.315 116.315 118.189 -1.874 25125
14134 1 21 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.152 -0.160 25125
14135 1 21 . 1 1 71 71 GLN C C 71 177.366 177.366 178.117 -0.751 25125
14136 1 21 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.355 -0.165 25125
14137 1 21 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.931 -0.266 25125
14138 1 21 . 1 1 71 71 GLN H H 71 7.601 7.601 7.736 -0.135 25125
14139 1 21 . 1 1 72 72 ARG N N 72 116.530 116.530 118.175 -1.645 25125
14140 1 21 . 1 1 72 72 ARG HA H 72 4.030 4.030 3.997 0.033 25125
14141 1 21 . 1 1 72 72 ARG C C 72 175.826 175.826 176.682 -0.856 25125
14142 1 21 . 1 1 72 72 ARG CA C 72 57.222 57.222 58.049 -0.827 25125
14143 1 21 . 1 1 72 72 ARG CB C 72 31.802 31.802 30.777 1.025 25125
14144 1 21 . 1 1 72 72 ARG H H 72 7.301 7.301 8.029 -0.728 25125
14145 1 21 . 1 1 73 73 HIS N N 73 116.755 116.755 115.834 0.921 25125
14146 1 21 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.034 -0.074 25125
14147 1 21 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.247 -0.029 25125
14148 1 21 . 1 1 73 73 HIS CB C 73 30.562 30.562 29.822 0.740 25125
14149 1 21 . 1 1 73 73 HIS H H 73 8.331 8.331 7.936 0.395 25125
14150 1 21 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.479 0.020 25125
14151 1 21 . 1 1 74 74 PRO C C 74 178.466 178.466 177.112 1.354 25125
14152 1 21 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.730 0.383 25125
14153 1 21 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.214 -0.119 25125
14154 1 21 . 1 1 75 75 MET N N 75 114.814 114.814 113.356 1.458 25125
14155 1 21 . 1 1 75 75 MET HA H 75 4.567 4.567 4.761 -0.194 25125
14156 1 21 . 1 1 75 75 MET C C 75 176.046 176.046 175.578 0.468 25125
14157 1 21 . 1 1 75 75 MET CA C 75 54.266 54.266 55.042 -0.776 25125
14158 1 21 . 1 1 75 75 MET CB C 75 31.288 31.288 33.047 -1.760 25125
14159 1 21 . 1 1 75 75 MET H H 75 8.623 8.623 7.699 0.924 25125
14160 1 21 . 1 1 76 76 LEU N N 76 125.533 125.533 125.879 -0.346 25125
14161 1 21 . 1 1 76 76 LEU HA H 76 4.305 4.305 5.149 -0.844 25125
14162 1 21 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.277 1.835 25125
14163 1 21 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.646 0.039 25125
14164 1 21 . 1 1 76 76 LEU H H 76 7.337 7.337 7.361 -0.024 25125
14165 1 21 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.406 0.040 25125
14166 1 21 . 1 1 77 77 PRO C C 77 174.974 174.974 175.414 -0.440 25125
14167 1 21 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.297 0.530 25125
14168 1 21 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.083 -0.361 25125
14169 1 21 . 1 1 78 78 VAL N N 78 123.779 123.779 121.897 1.882 25125
14170 1 21 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.343 0.681 25125
14171 1 21 . 1 1 78 78 VAL C C 78 175.441 175.441 175.240 0.201 25125
14172 1 21 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.870 -0.677 25125
14173 1 21 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.219 -0.925 25125
14174 1 21 . 1 1 78 78 VAL H H 78 8.317 8.317 8.165 0.152 25125
14175 1 21 . 1 1 79 79 ILE N N 79 128.334 128.334 121.133 7.201 25125
14176 1 21 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.741 -0.260 25125
14177 1 21 . 1 1 79 79 ILE C C 79 174.479 174.479 174.949 -0.470 25125
14178 1 21 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.248 -0.726 25125
14179 1 21 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.987 -2.024 25125
14180 1 21 . 1 1 79 79 ILE H H 79 9.292 9.292 8.012 1.280 25125
14181 1 21 . 1 1 80 80 ILE N N 80 127.023 127.023 126.273 0.750 25125
14182 1 21 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.321 0.538 25125
14183 1 21 . 1 1 80 80 ILE C C 80 175.029 175.029 174.791 0.238 25125
14184 1 21 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.899 -1.742 25125
14185 1 21 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.493 -1.549 25125
14186 1 21 . 1 1 80 80 ILE H H 80 7.938 7.938 8.854 -0.916 25125
14187 1 21 . 1 1 81 81 MET N N 81 127.255 127.255 125.111 2.144 25125
14188 1 21 . 1 1 81 81 MET HA H 81 5.521 5.521 5.596 -0.075 25125
14189 1 21 . 1 1 81 81 MET C C 81 174.534 174.534 175.409 -0.875 25125
14190 1 21 . 1 1 81 81 MET CA C 81 53.513 53.513 54.984 -1.471 25125
14191 1 21 . 1 1 81 81 MET CB C 81 35.483 35.483 35.616 -0.133 25125
14192 1 21 . 1 1 81 81 MET H H 81 8.801 8.801 8.438 0.363 25125
14193 1 21 . 1 1 82 82 THR N N 82 112.857 112.857 117.832 -4.975 25125
14194 1 21 . 1 1 82 82 THR HA H 82 4.914 4.914 4.491 0.423 25125
14195 1 21 . 1 1 82 82 THR C C 82 172.581 172.581 173.274 -0.693 25125
14196 1 21 . 1 1 82 82 THR CA C 82 59.561 59.561 62.965 -3.405 25125
14197 1 21 . 1 1 82 82 THR CB C 82 69.989 69.989 69.471 0.518 25125
14198 1 21 . 1 1 82 82 THR H H 82 7.623 7.623 8.232 -0.609 25125
14199 1 21 . 1 1 83 83 ALA N N 83 129.541 129.541 125.279 4.262 25125
14200 1 21 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.992 0.716 25125
14201 1 21 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.817 -1.279 25125
14202 1 21 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.878 2.269 25125
14203 1 21 . 1 1 83 83 ALA H H 83 9.149 9.149 8.267 0.882 25125
14204 1 21 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.569 -0.297 25125
14205 1 21 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.954 3.746 25125
14206 1 21 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.811 -0.793 25125
14207 1 21 . 1 1 85 85 SER N N 85 112.633 112.633 114.791 -2.158 25125
14208 1 21 . 1 1 85 85 SER HA H 85 4.198 4.198 4.465 -0.267 25125
14209 1 21 . 1 1 85 85 SER C C 85 174.506 174.506 173.650 0.856 25125
14210 1 21 . 1 1 85 85 SER CA C 85 59.823 59.823 58.719 1.103 25125
14211 1 21 . 1 1 85 85 SER CB C 85 62.693 62.693 64.886 -2.193 25125
14212 1 21 . 1 1 85 85 SER H H 85 8.224 8.224 7.353 0.871 25125
14213 1 21 . 1 1 86 86 ASP N N 86 120.886 120.886 120.799 0.087 25125
14214 1 21 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.670 0.266 25125
14215 1 21 . 1 1 86 86 ASP C C 86 175.881 175.881 176.205 -0.324 25125
14216 1 21 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.769 -0.835 25125
14217 1 21 . 1 1 86 86 ASP CB C 86 42.003 42.003 42.204 -0.201 25125
14218 1 21 . 1 1 86 86 ASP H H 86 7.608 7.608 8.021 -0.413 25125
14219 1 21 . 1 1 87 87 LEU N N 87 121.913 121.913 120.736 1.177 25125
14220 1 21 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.566 0.353 25125
14221 1 21 . 1 1 87 87 LEU C C 87 177.586 177.586 177.905 -0.319 25125
14222 1 21 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.647 -0.810 25125
14223 1 21 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.468 0.847 25125
14224 1 21 . 1 1 87 87 LEU H H 87 7.498 7.498 8.123 -0.625 25125
14225 1 21 . 1 1 88 88 ASP N N 88 117.621 117.621 117.531 0.090 25125
14226 1 21 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.190 0.082 25125
14227 1 21 . 1 1 88 88 ASP C C 88 178.246 178.246 177.277 0.969 25125
14228 1 21 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.261 -0.451 25125
14229 1 21 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.408 -0.274 25125
14230 1 21 . 1 1 88 88 ASP H H 88 8.322 8.322 8.469 -0.147 25125
14231 1 21 . 1 1 89 89 ALA N N 89 122.874 122.874 121.024 1.850 25125
14232 1 21 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.343 -0.249 25125
14233 1 21 . 1 1 89 89 ALA C C 89 179.346 179.346 179.415 -0.069 25125
14234 1 21 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.305 -0.152 25125
14235 1 21 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.833 -0.572 25125
14236 1 21 . 1 1 89 89 ALA H H 89 7.838 7.838 7.569 0.269 25125
14237 1 21 . 1 1 90 90 ALA N N 90 121.673 121.673 121.921 -0.248 25125
14238 1 21 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.035 -0.102 25125
14239 1 21 . 1 1 90 90 ALA C C 90 178.686 178.686 179.651 -0.965 25125
14240 1 21 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.087 -0.424 25125
14241 1 21 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.194 0.188 25125
14242 1 21 . 1 1 90 90 ALA H H 90 7.896 7.896 8.293 -0.397 25125
14243 1 21 . 1 1 91 91 VAL N N 91 117.749 117.749 117.207 0.542 25125
14244 1 21 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.980 -0.368 25125
14245 1 21 . 1 1 91 91 VAL C C 91 178.411 178.411 177.484 0.927 25125
14246 1 21 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.637 -1.456 25125
14247 1 21 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.673 -0.036 25125
14248 1 21 . 1 1 91 91 VAL H H 91 8.098 8.098 8.680 -0.582 25125
14249 1 21 . 1 1 92 92 SER N N 92 114.942 114.942 114.227 0.715 25125
14250 1 21 . 1 1 92 92 SER HA H 92 4.231 4.231 4.481 -0.250 25125
14251 1 21 . 1 1 92 92 SER C C 92 175.826 175.826 175.631 0.195 25125
14252 1 21 . 1 1 92 92 SER CA C 92 60.649 60.649 59.999 0.650 25125
14253 1 21 . 1 1 92 92 SER CB C 92 63.063 63.063 64.345 -1.282 25125
14254 1 21 . 1 1 92 92 SER H H 92 7.825 7.825 7.801 0.024 25125
14255 1 21 . 1 1 93 93 ALA N N 93 122.580 122.580 123.467 -0.887 25125
14256 1 21 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.245 -0.188 25125
14257 1 21 . 1 1 93 93 ALA C C 93 178.906 178.906 179.533 -0.627 25125
14258 1 21 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.583 -0.266 25125
14259 1 21 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.643 -0.346 25125
14260 1 21 . 1 1 93 93 ALA H H 93 7.861 7.861 8.462 -0.601 25125
14261 1 21 . 1 1 94 94 TYR N N 94 118.447 118.447 120.745 -2.298 25125
14262 1 21 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.261 0.231 25125
14263 1 21 . 1 1 94 94 TYR C C 94 177.393 177.393 177.496 -0.103 25125
14264 1 21 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.005 -0.754 25125
14265 1 21 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.340 0.094 25125
14266 1 21 . 1 1 94 94 TYR H H 94 8.150 8.150 7.756 0.394 25125
14267 1 21 . 1 1 95 95 GLN N N 95 119.787 119.787 115.744 4.043 25125
14268 1 21 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.040 0.003 25125
14269 1 21 . 1 1 95 95 GLN C C 95 176.981 176.981 176.556 0.425 25125
14270 1 21 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.923 0.543 25125
14271 1 21 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.791 0.298 25125
14272 1 21 . 1 1 95 95 GLN H H 95 8.271 8.271 7.868 0.403 25125
14273 1 21 . 1 1 96 96 GLN N N 96 117.878 117.878 119.329 -1.451 25125
14274 1 21 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.279 0.066 25125
14275 1 21 . 1 1 96 96 GLN C C 96 175.854 175.854 175.841 0.013 25125
14276 1 21 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.757 0.414 25125
14277 1 21 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.460 0.015 25125
14278 1 21 . 1 1 96 96 GLN H H 96 7.944 7.944 7.754 0.190 25125
14279 1 21 . 1 1 97 97 GLY N N 97 106.670 106.670 105.002 1.668 25125
14280 1 21 . 1 1 97 97 GLY C C 97 174.231 174.231 173.090 1.141 25125
14281 1 21 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.839 0.647 25125
14282 1 21 . 1 1 97 97 GLY H H 97 7.949 7.949 8.165 -0.216 25125
14283 1 21 . 1 1 98 98 ALA N N 98 122.898 122.898 121.079 1.819 25125
14284 1 21 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.389 -0.014 25125
14285 1 21 . 1 1 98 98 ALA C C 98 175.991 175.991 175.509 0.482 25125
14286 1 21 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.177 1.991 25125
14287 1 21 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.369 -1.399 25125
14288 1 21 . 1 1 98 98 ALA H H 98 7.808 7.808 7.128 0.680 25125
14289 1 21 . 1 1 99 99 PHE N N 99 123.484 123.484 119.168 4.316 25125
14290 1 21 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.440 -0.090 25125
14291 1 21 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.366 2.090 25125
14292 1 21 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.155 -0.715 25125
14293 1 21 . 1 1 99 99 PHE H H 99 7.704 7.704 8.147 -0.443 25125
14294 1 21 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.874 0.630 25125
14295 1 21 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.620 -1.138 25125
14296 1 21 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.308 3.892 25125
14297 1 21 . 1 1 101 101 TYR N N 101 118.148 118.148 121.791 -3.643 25125
14298 1 21 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.434 1.014 25125
14299 1 21 . 1 1 101 101 TYR C C 101 173.159 173.159 174.119 -0.960 25125
14300 1 21 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.150 -0.163 25125
14301 1 21 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.267 2.631 25125
14302 1 21 . 1 1 101 101 TYR H H 101 9.546 9.546 7.373 2.173 25125
14303 1 21 . 1 1 102 102 LEU N N 102 124.100 124.100 120.626 3.474 25125
14304 1 21 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.079 -0.359 25125
14305 1 21 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.264 -0.765 25125
14306 1 21 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.318 -0.257 25125
14307 1 21 . 1 1 102 102 LEU H H 102 8.901 8.901 8.636 0.265 25125
14308 1 21 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.655 0.238 25125
14309 1 21 . 1 1 103 103 PRO C C 103 175.524 175.524 175.794 -0.270 25125
14310 1 21 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.299 -0.414 25125
14311 1 21 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.268 -0.461 25125
14312 1 21 . 1 1 104 104 LYS N N 104 118.848 118.848 120.901 -2.053 25125
14313 1 21 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.869 -0.356 25125
14314 1 21 . 1 1 104 104 LYS CA C 104 53.218 53.218 54.082 -0.864 25125
14315 1 21 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.913 0.831 25125
14316 1 21 . 1 1 104 104 LYS H H 104 8.279 8.279 8.133 0.146 25125
14317 1 21 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.520 -0.221 25125
14318 1 21 . 1 1 105 105 PRO C C 105 175.001 175.001 175.311 -0.310 25125
14319 1 21 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.775 -0.381 25125
14320 1 21 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.091 2.004 25125
14321 1 21 . 1 1 106 106 PHE N N 106 116.607 116.607 114.498 2.109 25125
14322 1 21 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.787 0.383 25125
14323 1 21 . 1 1 106 106 PHE C C 106 175.221 175.221 174.257 0.964 25125
14324 1 21 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.983 -2.548 25125
14325 1 21 . 1 1 106 106 PHE CB C 106 40.400 40.400 39.885 0.515 25125
14326 1 21 . 1 1 106 106 PHE H H 106 7.457 7.457 7.354 0.103 25125
14327 1 21 . 1 1 107 107 ASP N N 107 122.214 122.214 122.055 0.159 25125
14328 1 21 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.084 -0.252 25125
14329 1 21 . 1 1 107 107 ASP C C 107 177.778 177.778 177.446 0.332 25125
14330 1 21 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.629 -0.387 25125
14331 1 21 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.300 1.296 25125
14332 1 21 . 1 1 107 107 ASP H H 107 9.022 9.022 8.819 0.203 25125
14333 1 21 . 1 1 108 108 ILE N N 108 127.706 127.706 125.232 2.474 25125
14334 1 21 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.744 0.221 25125
14335 1 21 . 1 1 108 108 ILE C C 108 176.046 176.046 177.500 -1.454 25125
14336 1 21 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.790 -1.801 25125
14337 1 21 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.119 -0.365 25125
14338 1 21 . 1 1 108 108 ILE H H 108 8.860 8.860 8.781 0.079 25125
14339 1 21 . 1 1 109 109 ASP N N 109 120.058 120.058 119.192 0.866 25125
14340 1 21 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.370 0.018 25125
14341 1 21 . 1 1 109 109 ASP C C 109 179.786 179.786 178.758 1.028 25125
14342 1 21 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.675 -0.181 25125
14343 1 21 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.589 -0.535 25125
14344 1 21 . 1 1 109 109 ASP H H 109 8.079 8.079 8.654 -0.575 25125
14345 1 21 . 1 1 110 110 GLU N N 110 121.559 121.559 119.411 2.148 25125
14346 1 21 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.188 -0.120 25125
14347 1 21 . 1 1 110 110 GLU C C 110 179.043 179.043 178.526 0.517 25125
14348 1 21 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.391 0.435 25125
14349 1 21 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.979 -0.636 25125
14350 1 21 . 1 1 110 110 GLU H H 110 8.012 8.012 8.004 0.008 25125
14351 1 21 . 1 1 111 111 ALA N N 111 122.267 122.267 123.638 -1.371 25125
14352 1 21 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.988 -0.234 25125
14353 1 21 . 1 1 111 111 ALA C C 111 178.493 178.493 179.400 -0.907 25125
14354 1 21 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.364 -0.192 25125
14355 1 21 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.152 0.230 25125
14356 1 21 . 1 1 111 111 ALA H H 111 7.897 7.897 8.331 -0.434 25125
14357 1 21 . 1 1 112 112 VAL N N 112 116.527 116.527 117.640 -1.113 25125
14358 1 21 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.581 -0.414 25125
14359 1 21 . 1 1 112 112 VAL C C 112 177.201 177.201 177.976 -0.775 25125
14360 1 21 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.746 0.399 25125
14361 1 21 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.182 0.370 25125
14362 1 21 . 1 1 112 112 VAL H H 112 8.018 8.018 8.302 -0.284 25125
14363 1 21 . 1 1 113 113 ALA N N 113 119.895 119.895 121.181 -1.286 25125
14364 1 21 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.436 -0.298 25125
14365 1 21 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.005 0.827 25125
14366 1 21 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.952 -1.080 25125
14367 1 21 . 1 1 113 113 ALA H H 113 7.673 7.673 7.400 0.273 25125
14368 1 21 . 1 1 114 114 LEU N N 114 120.650 120.650 120.973 -0.323 25125
14369 1 21 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.112 -0.029 25125
14370 1 21 . 1 1 114 114 LEU C C 114 178.466 178.466 178.512 -0.046 25125
14371 1 21 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.797 0.223 25125
14372 1 21 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.015 -0.182 25125
14373 1 21 . 1 1 114 114 LEU H H 114 7.840 7.840 7.723 0.117 25125
14374 1 21 . 1 1 115 115 VAL N N 115 119.480 119.480 118.606 0.874 25125
14375 1 21 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.475 -0.263 25125
14376 1 21 . 1 1 115 115 VAL C C 115 177.448 177.448 177.235 0.213 25125
14377 1 21 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.725 1.476 25125
14378 1 21 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.359 -0.687 25125
14379 1 21 . 1 1 115 115 VAL H H 115 7.824 7.824 7.983 -0.159 25125
14380 1 21 . 1 1 116 116 GLU N N 116 117.473 117.473 118.695 -1.222 25125
14381 1 21 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.889 -0.100 25125
14382 1 21 . 1 1 116 116 GLU C C 116 179.566 179.566 178.723 0.843 25125
14383 1 21 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.828 0.102 25125
14384 1 21 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.349 -0.253 25125
14385 1 21 . 1 1 116 116 GLU H H 116 8.465 8.465 7.678 0.787 25125
14386 1 21 . 1 1 117 117 ARG N N 117 120.128 120.128 118.084 2.044 25125
14387 1 21 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.051 0.013 25125
14388 1 21 . 1 1 117 117 ARG C C 117 178.438 178.438 178.270 0.168 25125
14389 1 21 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.702 0.576 25125
14390 1 21 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.843 0.434 25125
14391 1 21 . 1 1 117 117 ARG H H 117 8.012 8.012 7.524 0.488 25125
14392 1 21 . 1 1 118 118 ALA N N 118 122.270 122.270 121.572 0.698 25125
14393 1 21 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.721 -0.265 25125
14394 1 21 . 1 1 118 118 ALA C C 118 178.741 178.741 179.032 -0.291 25125
14395 1 21 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.305 0.273 25125
14396 1 21 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.092 0.066 25125
14397 1 21 . 1 1 118 118 ALA H H 118 7.958 7.958 7.355 0.603 25125
14398 1 21 . 1 1 119 119 ILE N N 119 115.269 115.269 117.585 -2.316 25125
14399 1 21 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.805 -0.077 25125
14400 1 21 . 1 1 119 119 ILE C C 119 177.366 177.366 178.639 -1.273 25125
14401 1 21 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.536 -0.867 25125
14402 1 21 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.368 -0.570 25125
14403 1 21 . 1 1 119 119 ILE H H 119 7.753 7.753 7.776 -0.023 25125
14404 1 21 . 1 1 120 120 SER N N 120 115.135 115.135 116.220 -1.085 25125
14405 1 21 . 1 1 120 120 SER HA H 120 4.275 4.275 4.330 -0.055 25125
14406 1 21 . 1 1 120 120 SER C C 120 175.084 175.084 175.789 -0.705 25125
14407 1 21 . 1 1 120 120 SER CA C 120 59.816 59.816 61.679 -1.863 25125
14408 1 21 . 1 1 120 120 SER CB C 120 63.380 63.380 63.071 0.309 25125
14409 1 21 . 1 1 120 120 SER H H 120 7.816 7.816 8.454 -0.638 25125
14410 1 21 . 1 1 121 121 HIS N N 121 119.908 119.908 120.813 -0.905 25125
14411 1 21 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.155 0.267 25125
14412 1 21 . 1 1 121 121 HIS C C 121 175.029 175.029 176.323 -1.294 25125
14413 1 21 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.284 -2.048 25125
14414 1 21 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.732 -0.304 25125
14415 1 21 . 1 1 121 121 HIS H H 121 7.910 7.910 7.655 0.255 25125
14416 1 21 . 1 1 122 122 TYR N N 122 118.880 118.880 118.681 0.199 25125
14417 1 21 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.275 0.151 25125
14418 1 21 . 1 1 122 122 TYR C C 122 175.276 175.276 177.635 -2.359 25125
14419 1 21 . 1 1 122 122 TYR CA C 122 58.449 58.449 60.435 -1.986 25125
14420 1 21 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.175 0.429 25125
14421 1 21 . 1 1 122 122 TYR H H 122 7.766 7.766 7.587 0.179 25125
14422 1 21 . 1 1 123 123 GLN N N 123 121.479 121.479 117.673 3.806 25125
14423 1 21 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.139 0.131 25125
14424 1 21 . 1 1 123 123 GLN C C 123 174.534 174.534 176.260 -1.726 25125
14425 1 21 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.082 -1.570 25125
14426 1 21 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.184 0.584 25125
14427 1 21 . 1 1 123 123 GLN H H 123 7.878 7.878 8.319 -0.441 25125
14428 1 22 . 1 1 2 2 GLN HA H 2 4.433 4.433 3.881 0.552 25125
14429 1 22 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.682 -1.118 25125
14430 1 22 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.274 2.326 25125
14431 1 22 . 1 1 3 3 ARG N N 3 121.252 121.252 116.825 4.427 25125
14432 1 22 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.132 0.233 25125
14433 1 22 . 1 1 3 3 ARG C C 3 175.634 175.634 175.498 0.136 25125
14434 1 22 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.780 -0.789 25125
14435 1 22 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.202 1.095 25125
14436 1 22 . 1 1 3 3 ARG H H 3 8.429 8.429 8.191 0.238 25125
14437 1 22 . 1 1 4 4 GLY N N 4 107.663 107.663 106.697 0.966 25125
14438 1 22 . 1 1 4 4 GLY C C 4 171.041 171.041 173.372 -2.331 25125
14439 1 22 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.326 0.990 25125
14440 1 22 . 1 1 4 4 GLY H H 4 7.963 7.963 7.597 0.366 25125
14441 1 22 . 1 1 5 5 ILE N N 5 122.603 122.603 125.756 -3.153 25125
14442 1 22 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.091 0.608 25125
14443 1 22 . 1 1 5 5 ILE C C 5 175.359 175.359 174.784 0.575 25125
14444 1 22 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.768 -1.158 25125
14445 1 22 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.028 0.548 25125
14446 1 22 . 1 1 5 5 ILE H H 5 9.610 9.610 8.013 1.597 25125
14447 1 22 . 1 1 6 6 VAL N N 6 127.905 127.905 126.853 1.052 25125
14448 1 22 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.025 -0.213 25125
14449 1 22 . 1 1 6 6 VAL C C 6 174.204 174.204 175.591 -1.387 25125
14450 1 22 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.148 -0.589 25125
14451 1 22 . 1 1 6 6 VAL CB C 6 34.526 34.526 32.701 1.825 25125
14452 1 22 . 1 1 6 6 VAL H H 6 9.090 9.090 7.904 1.186 25125
14453 1 22 . 1 1 7 7 TRP N N 7 127.467 127.467 128.595 -1.128 25125
14454 1 22 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.087 1.367 25125
14455 1 22 . 1 1 7 7 TRP C C 7 175.056 175.056 175.219 -0.163 25125
14456 1 22 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.750 -1.872 25125
14457 1 22 . 1 1 7 7 TRP CB C 7 33.134 33.134 30.956 2.178 25125
14458 1 22 . 1 1 7 7 TRP H H 7 8.497 8.497 8.270 0.227 25125
14459 1 22 . 1 1 8 8 VAL N N 8 122.068 122.068 120.739 1.329 25125
14460 1 22 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.397 0.689 25125
14461 1 22 . 1 1 8 8 VAL C C 8 173.874 173.874 173.956 -0.082 25125
14462 1 22 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.661 -1.175 25125
14463 1 22 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.505 1.210 25125
14464 1 22 . 1 1 8 8 VAL H H 8 8.583 8.583 9.122 -0.539 25125
14465 1 22 . 1 1 9 9 VAL N N 9 127.733 127.733 125.209 2.524 25125
14466 1 22 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.569 0.392 25125
14467 1 22 . 1 1 9 9 VAL C C 9 173.131 173.131 173.190 -0.059 25125
14468 1 22 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.540 -0.865 25125
14469 1 22 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.367 -1.456 25125
14470 1 22 . 1 1 9 9 VAL H H 9 9.107 9.107 8.334 0.773 25125
14471 1 22 . 1 1 10 10 ASP N N 10 124.306 124.306 126.969 -2.663 25125
14472 1 22 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.823 -0.254 25125
14473 1 22 . 1 1 10 10 ASP C C 10 175.029 175.029 174.016 1.013 25125
14474 1 22 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.469 1.278 25125
14475 1 22 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.975 1.134 25125
14476 1 22 . 1 1 10 10 ASP H H 10 7.775 7.775 8.270 -0.495 25125
14477 1 22 . 1 1 11 11 ASP N N 11 126.714 126.714 117.138 9.576 25125
14478 1 22 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.750 -0.215 25125
14479 1 22 . 1 1 11 11 ASP C C 11 175.689 175.689 175.177 0.512 25125
14480 1 22 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.175 2.543 25125
14481 1 22 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.463 -0.389 25125
14482 1 22 . 1 1 11 11 ASP H H 11 9.033 9.033 8.481 0.552 25125
14483 1 22 . 1 1 12 12 ASP N N 12 121.877 121.877 119.277 2.600 25125
14484 1 22 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.889 -0.243 25125
14485 1 22 . 1 1 12 12 ASP C C 12 177.036 177.036 176.929 0.107 25125
14486 1 22 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.586 -0.283 25125
14487 1 22 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.295 -2.131 25125
14488 1 22 . 1 1 12 12 ASP H H 12 9.570 9.570 8.012 1.558 25125
14489 1 22 . 1 1 13 13 SER N N 13 123.799 123.799 117.869 5.930 25125
14490 1 22 . 1 1 13 13 SER HA H 13 3.761 3.761 4.318 -0.557 25125
14491 1 22 . 1 1 13 13 SER C C 13 176.156 176.156 176.166 -0.010 25125
14492 1 22 . 1 1 13 13 SER CA C 13 61.186 61.186 60.869 0.317 25125
14493 1 22 . 1 1 13 13 SER CB C 13 62.749 62.749 63.254 -0.505 25125
14494 1 22 . 1 1 13 13 SER H H 13 8.850 8.850 8.747 0.103 25125
14495 1 22 . 1 1 14 14 SER N N 14 119.123 119.123 119.367 -0.244 25125
14496 1 22 . 1 1 14 14 SER HA H 14 4.361 4.361 4.382 -0.021 25125
14497 1 22 . 1 1 14 14 SER C C 14 176.404 176.404 176.469 -0.065 25125
14498 1 22 . 1 1 14 14 SER CA C 14 61.730 61.730 61.100 0.630 25125
14499 1 22 . 1 1 14 14 SER CB C 14 62.548 62.548 62.668 -0.120 25125
14500 1 22 . 1 1 14 14 SER H H 14 8.531 8.531 8.593 -0.062 25125
14501 1 22 . 1 1 15 15 ILE N N 15 123.637 123.637 121.160 2.477 25125
14502 1 22 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.835 0.110 25125
14503 1 22 . 1 1 15 15 ILE C C 15 177.861 177.861 177.998 -0.137 25125
14504 1 22 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.853 -2.653 25125
14505 1 22 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.874 -0.988 25125
14506 1 22 . 1 1 15 15 ILE H H 15 7.206 7.206 8.379 -1.173 25125
14507 1 22 . 1 1 16 16 ARG N N 16 116.694 116.694 117.855 -1.161 25125
14508 1 22 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.257 -0.534 25125
14509 1 22 . 1 1 16 16 ARG C C 16 177.448 177.448 178.145 -0.697 25125
14510 1 22 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.876 2.697 25125
14511 1 22 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.052 0.395 25125
14512 1 22 . 1 1 16 16 ARG H H 16 7.562 7.562 7.601 -0.039 25125
14513 1 22 . 1 1 17 17 TRP N N 17 116.848 116.848 122.854 -6.006 25125
14514 1 22 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.404 0.067 25125
14515 1 22 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.524 -0.084 25125
14516 1 22 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.702 -0.410 25125
14517 1 22 . 1 1 17 17 TRP H H 17 8.005 8.005 7.437 0.568 25125
14518 1 22 . 1 1 18 18 VAL N N 18 116.964 116.964 116.325 0.639 25125
14519 1 22 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.821 0.854 25125
14520 1 22 . 1 1 18 18 VAL C C 18 179.181 179.181 177.157 2.024 25125
14521 1 22 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.649 0.059 25125
14522 1 22 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.247 0.390 25125
14523 1 22 . 1 1 18 18 VAL H H 18 8.110 8.110 8.515 -0.405 25125
14524 1 22 . 1 1 19 19 LEU N N 19 120.186 120.186 118.568 1.618 25125
14525 1 22 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.239 -0.164 25125
14526 1 22 . 1 1 19 19 LEU C C 19 177.778 177.778 178.789 -1.011 25125
14527 1 22 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.936 0.886 25125
14528 1 22 . 1 1 19 19 LEU CB C 19 41.781 41.781 42.041 -0.260 25125
14529 1 22 . 1 1 19 19 LEU H H 19 8.073 8.073 7.560 0.513 25125
14530 1 22 . 1 1 20 20 GLU N N 20 120.193 120.193 120.691 -0.498 25125
14531 1 22 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.936 0.005 25125
14532 1 22 . 1 1 20 20 GLU C C 20 178.603 178.603 178.937 -0.334 25125
14533 1 22 . 1 1 20 20 GLU CA C 20 60.610 60.610 60.085 0.525 25125
14534 1 22 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.758 -0.670 25125
14535 1 22 . 1 1 20 20 GLU H H 20 8.387 8.387 7.973 0.414 25125
14536 1 22 . 1 1 21 21 ARG N N 21 116.076 116.076 117.090 -1.014 25125
14537 1 22 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.964 -0.071 25125
14538 1 22 . 1 1 21 21 ARG C C 21 179.676 179.676 178.174 1.502 25125
14539 1 22 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.843 -0.394 25125
14540 1 22 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.185 0.668 25125
14541 1 22 . 1 1 21 21 ARG H H 21 7.602 7.602 8.355 -0.753 25125
14542 1 22 . 1 1 22 22 ALA N N 22 122.405 122.405 122.905 -0.500 25125
14543 1 22 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.098 -0.001 25125
14544 1 22 . 1 1 22 22 ALA C C 22 180.501 180.501 178.533 1.968 25125
14545 1 22 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.305 0.273 25125
14546 1 22 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.123 1.109 25125
14547 1 22 . 1 1 22 22 ALA H H 22 7.992 7.992 7.386 0.606 25125
14548 1 22 . 1 1 23 23 LEU N N 23 118.026 118.026 117.402 0.624 25125
14549 1 22 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.116 -0.115 25125
14550 1 22 . 1 1 23 23 LEU C C 23 178.878 178.878 179.059 -0.181 25125
14551 1 22 . 1 1 23 23 LEU CA C 23 57.721 57.721 57.069 0.652 25125
14552 1 22 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.906 -2.251 25125
14553 1 22 . 1 1 23 23 LEU H H 23 8.825 8.825 7.501 1.324 25125
14554 1 22 . 1 1 24 24 ALA N N 24 122.159 122.159 121.553 0.606 25125
14555 1 22 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.964 0.669 25125
14556 1 22 . 1 1 24 24 ALA C C 24 183.141 183.141 179.553 3.588 25125
14557 1 22 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.884 -0.137 25125
14558 1 22 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.357 -0.655 25125
14559 1 22 . 1 1 24 24 ALA H H 24 8.125 8.125 7.974 0.151 25125
14560 1 22 . 1 1 25 25 GLY N N 25 106.891 106.891 103.849 3.042 25125
14561 1 22 . 1 1 25 25 GLY C C 25 174.286 174.286 174.575 -0.289 25125
14562 1 22 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.134 1.287 25125
14563 1 22 . 1 1 25 25 GLY H H 25 7.870 7.870 7.739 0.131 25125
14564 1 22 . 1 1 26 26 ALA N N 26 121.819 121.819 123.785 -1.966 25125
14565 1 22 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.373 0.126 25125
14566 1 22 . 1 1 26 26 ALA C C 26 176.953 176.953 177.578 -0.625 25125
14567 1 22 . 1 1 26 26 ALA CA C 26 51.519 51.519 52.080 -0.561 25125
14568 1 22 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.492 -1.770 25125
14569 1 22 . 1 1 26 26 ALA H H 26 7.285 7.285 7.492 -0.207 25125
14570 1 22 . 1 1 27 27 GLY N N 27 106.197 106.197 106.943 -0.746 25125
14571 1 22 . 1 1 27 27 GLY C C 27 173.956 173.956 174.058 -0.102 25125
14572 1 22 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.899 0.417 25125
14573 1 22 . 1 1 27 27 GLY H H 27 7.824 7.824 8.054 -0.230 25125
14574 1 22 . 1 1 28 28 LEU N N 28 120.291 120.291 119.120 1.171 25125
14575 1 22 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.728 -0.153 25125
14576 1 22 . 1 1 28 28 LEU C C 28 175.881 175.881 176.520 -0.639 25125
14577 1 22 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.973 0.670 25125
14578 1 22 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.278 -1.793 25125
14579 1 22 . 1 1 28 28 LEU H H 28 7.678 7.678 7.599 0.079 25125
14580 1 22 . 1 1 29 29 THR N N 29 118.040 118.040 116.722 1.318 25125
14581 1 22 . 1 1 29 29 THR HA H 29 4.335 4.335 4.186 0.149 25125
14582 1 22 . 1 1 29 29 THR C C 29 173.186 173.186 174.019 -0.833 25125
14583 1 22 . 1 1 29 29 THR CA C 29 62.479 62.479 64.309 -1.830 25125
14584 1 22 . 1 1 29 29 THR CB C 29 69.465 69.465 69.509 -0.044 25125
14585 1 22 . 1 1 29 29 THR H H 29 8.527 8.527 8.501 0.026 25125
14586 1 22 . 1 1 30 30 CYS N N 30 128.387 128.387 118.746 9.641 25125
14587 1 22 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.496 0.447 25125
14588 1 22 . 1 1 30 30 CYS C C 30 173.846 173.846 173.906 -0.060 25125
14589 1 22 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.453 -0.091 25125
14590 1 22 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.249 -1.769 25125
14591 1 22 . 1 1 30 30 CYS H H 30 8.968 8.968 8.354 0.614 25125
14592 1 22 . 1 1 31 31 THR N N 31 126.481 126.481 122.563 3.918 25125
14593 1 22 . 1 1 31 31 THR HA H 31 4.433 4.433 4.428 0.005 25125
14594 1 22 . 1 1 31 31 THR C C 31 172.609 172.609 173.578 -0.969 25125
14595 1 22 . 1 1 31 31 THR CA C 31 61.951 61.951 62.029 -0.078 25125
14596 1 22 . 1 1 31 31 THR CB C 31 70.567 70.567 70.307 0.260 25125
14597 1 22 . 1 1 31 31 THR H H 31 8.614 8.614 8.523 0.091 25125
14598 1 22 . 1 1 32 32 THR N N 32 116.418 116.418 118.893 -2.475 25125
14599 1 22 . 1 1 32 32 THR HA H 32 5.330 5.330 5.147 0.183 25125
14600 1 22 . 1 1 32 32 THR C C 32 172.306 172.306 173.439 -1.133 25125
14601 1 22 . 1 1 32 32 THR CA C 32 59.173 59.173 60.203 -1.030 25125
14602 1 22 . 1 1 32 32 THR CB C 32 70.917 70.917 70.414 0.503 25125
14603 1 22 . 1 1 32 32 THR H H 32 8.299 8.299 8.232 0.067 25125
14604 1 22 . 1 1 33 33 PHE N N 33 118.067 118.067 126.692 -8.625 25125
14605 1 22 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.460 0.183 25125
14606 1 22 . 1 1 33 33 PHE C C 33 174.341 174.341 175.140 -0.799 25125
14607 1 22 . 1 1 33 33 PHE CA C 33 56.532 56.532 58.525 -1.993 25125
14608 1 22 . 1 1 33 33 PHE CB C 33 43.309 43.309 40.264 3.045 25125
14609 1 22 . 1 1 33 33 PHE H H 33 8.890 8.890 8.240 0.650 25125
14610 1 22 . 1 1 34 34 GLU N N 34 118.499 118.499 112.416 6.083 25125
14611 1 22 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.549 -0.195 25125
14612 1 22 . 1 1 34 34 GLU C C 34 175.414 175.414 175.011 0.403 25125
14613 1 22 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.299 0.393 25125
14614 1 22 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.327 1.140 25125
14615 1 22 . 1 1 34 34 GLU H H 34 9.023 9.023 8.491 0.532 25125
14616 1 22 . 1 1 35 35 ASN N N 35 109.907 109.907 119.229 -9.322 25125
14617 1 22 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.973 -0.192 25125
14618 1 22 . 1 1 35 35 ASN C C 35 175.139 175.139 176.767 -1.628 25125
14619 1 22 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.290 -0.144 25125
14620 1 22 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.202 1.121 25125
14621 1 22 . 1 1 35 35 ASN H H 35 7.401 7.401 7.800 -0.399 25125
14622 1 22 . 1 1 36 36 GLY N N 36 106.739 106.739 113.648 -6.909 25125
14623 1 22 . 1 1 36 36 GLY C C 36 174.616 174.616 175.935 -1.319 25125
14624 1 22 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.488 -0.472 25125
14625 1 22 . 1 1 36 36 GLY H H 36 8.877 8.877 8.630 0.247 25125
14626 1 22 . 1 1 37 37 ASN N N 37 120.462 120.462 119.463 0.999 25125
14627 1 22 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.451 -0.089 25125
14628 1 22 . 1 1 37 37 ASN C C 37 178.686 178.686 176.934 1.752 25125
14629 1 22 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.407 1.125 25125
14630 1 22 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.505 -0.921 25125
14631 1 22 . 1 1 37 37 ASN H H 37 8.366 8.366 8.135 0.231 25125
14632 1 22 . 1 1 38 38 GLU N N 38 119.360 119.360 118.482 0.878 25125
14633 1 22 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.096 -0.026 25125
14634 1 22 . 1 1 38 38 GLU C C 38 179.263 179.263 177.777 1.486 25125
14635 1 22 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.335 0.297 25125
14636 1 22 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.634 0.898 25125
14637 1 22 . 1 1 38 38 GLU H H 38 7.990 7.990 7.800 0.190 25125
14638 1 22 . 1 1 39 39 VAL N N 39 119.259 119.259 118.736 0.523 25125
14639 1 22 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.306 -0.538 25125
14640 1 22 . 1 1 39 39 VAL C C 39 176.431 176.431 177.616 -1.185 25125
14641 1 22 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.963 -0.020 25125
14642 1 22 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.876 -0.801 25125
14643 1 22 . 1 1 39 39 VAL H H 39 6.883 6.883 7.879 -0.996 25125
14644 1 22 . 1 1 40 40 LEU N N 40 119.627 119.627 121.856 -2.229 25125
14645 1 22 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.994 -0.066 25125
14646 1 22 . 1 1 40 40 LEU C C 40 179.538 179.538 178.231 1.307 25125
14647 1 22 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.166 -0.226 25125
14648 1 22 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.227 -0.160 25125
14649 1 22 . 1 1 40 40 LEU H H 40 7.692 7.692 7.499 0.193 25125
14650 1 22 . 1 1 41 41 ALA N N 41 120.051 120.051 119.957 0.094 25125
14651 1 22 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.132 0.008 25125
14652 1 22 . 1 1 41 41 ALA C C 41 180.528 180.528 179.676 0.852 25125
14653 1 22 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.556 0.094 25125
14654 1 22 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.935 -0.069 25125
14655 1 22 . 1 1 41 41 ALA H H 41 7.553 7.553 7.549 0.004 25125
14656 1 22 . 1 1 42 42 ALA N N 42 122.731 122.731 122.386 0.345 25125
14657 1 22 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.122 0.077 25125
14658 1 22 . 1 1 42 42 ALA C C 42 180.198 180.198 180.230 -0.032 25125
14659 1 22 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.441 0.591 25125
14660 1 22 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.183 1.216 25125
14661 1 22 . 1 1 42 42 ALA H H 42 7.604 7.604 7.178 0.426 25125
14662 1 22 . 1 1 43 43 LEU N N 43 119.131 119.131 118.664 0.467 25125
14663 1 22 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.986 1.220 25125
14664 1 22 . 1 1 43 43 LEU C C 43 177.421 177.421 178.617 -1.196 25125
14665 1 22 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.569 -2.025 25125
14666 1 22 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.111 1.493 25125
14667 1 22 . 1 1 43 43 LEU H H 43 8.288 8.288 8.128 0.160 25125
14668 1 22 . 1 1 44 44 ALA N N 44 119.065 119.065 118.236 0.829 25125
14669 1 22 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.139 0.090 25125
14670 1 22 . 1 1 44 44 ALA C C 44 178.686 178.686 178.773 -0.087 25125
14671 1 22 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.893 0.345 25125
14672 1 22 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.377 0.139 25125
14673 1 22 . 1 1 44 44 ALA H H 44 7.302 7.302 7.609 -0.307 25125
14674 1 22 . 1 1 45 45 SER N N 45 108.656 108.656 115.129 -6.473 25125
14675 1 22 . 1 1 45 45 SER HA H 45 4.742 4.742 4.376 0.366 25125
14676 1 22 . 1 1 45 45 SER C C 45 173.296 173.296 176.118 -2.822 25125
14677 1 22 . 1 1 45 45 SER CA C 45 58.656 58.656 60.996 -2.340 25125
14678 1 22 . 1 1 45 45 SER CB C 45 65.407 65.407 63.789 1.618 25125
14679 1 22 . 1 1 45 45 SER H H 45 7.728 7.728 8.270 -0.542 25125
14680 1 22 . 1 1 46 46 LYS N N 46 123.016 123.016 116.931 6.085 25125
14681 1 22 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.639 -0.053 25125
14682 1 22 . 1 1 46 46 LYS C C 46 172.719 172.719 175.693 -2.974 25125
14683 1 22 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.253 -0.741 25125
14684 1 22 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.645 2.580 25125
14685 1 22 . 1 1 46 46 LYS H H 46 8.101 8.101 8.138 -0.037 25125
14686 1 22 . 1 1 47 47 THR N N 47 111.780 111.780 113.646 -1.866 25125
14687 1 22 . 1 1 47 47 THR HA H 47 4.282 4.282 3.923 0.359 25125
14688 1 22 . 1 1 47 47 THR CA C 47 57.806 57.806 62.381 -4.575 25125
14689 1 22 . 1 1 47 47 THR CB C 47 70.594 70.594 67.998 2.596 25125
14690 1 22 . 1 1 47 47 THR H H 47 7.677 7.677 7.884 -0.207 25125
14691 1 22 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.957 -0.052 25125
14692 1 22 . 1 1 48 48 PRO C C 48 172.966 172.966 175.155 -2.189 25125
14693 1 22 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.198 -1.333 25125
14694 1 22 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.617 -1.340 25125
14695 1 22 . 1 1 49 49 ASP N N 49 115.035 115.035 117.544 -2.509 25125
14696 1 22 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.847 -0.403 25125
14697 1 22 . 1 1 49 49 ASP C C 49 175.634 175.634 175.818 -0.184 25125
14698 1 22 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.816 1.631 25125
14699 1 22 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.366 -0.854 25125
14700 1 22 . 1 1 49 49 ASP H H 49 8.502 8.502 8.062 0.440 25125
14701 1 22 . 1 1 50 50 VAL N N 50 112.082 112.082 116.115 -4.033 25125
14702 1 22 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.487 -0.207 25125
14703 1 22 . 1 1 50 50 VAL C C 50 171.454 171.454 172.761 -1.307 25125
14704 1 22 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.506 -0.944 25125
14705 1 22 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.611 1.025 25125
14706 1 22 . 1 1 50 50 VAL H H 50 7.173 7.173 7.119 0.054 25125
14707 1 22 . 1 1 51 51 LEU N N 51 128.247 128.247 125.791 2.456 25125
14708 1 22 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.381 -0.062 25125
14709 1 22 . 1 1 51 51 LEU C C 51 173.104 173.104 175.613 -2.509 25125
14710 1 22 . 1 1 51 51 LEU CA C 51 53.218 53.218 52.897 0.321 25125
14711 1 22 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.133 0.373 25125
14712 1 22 . 1 1 51 51 LEU H H 51 8.059 8.059 8.312 -0.253 25125
14713 1 22 . 1 1 52 52 LEU N N 52 128.407 128.407 120.488 7.919 25125
14714 1 22 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.907 0.594 25125
14715 1 22 . 1 1 52 52 LEU C C 52 175.414 175.414 176.046 -0.632 25125
14716 1 22 . 1 1 52 52 LEU CA C 52 54.323 54.323 53.999 0.324 25125
14717 1 22 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.209 2.312 25125
14718 1 22 . 1 1 52 52 LEU H H 52 9.242 9.242 8.120 1.122 25125
14719 1 22 . 1 1 53 53 SER N N 53 114.946 114.946 117.535 -2.589 25125
14720 1 22 . 1 1 53 53 SER HA H 53 5.595 5.595 4.285 1.310 25125
14721 1 22 . 1 1 53 53 SER C C 53 174.644 174.644 174.210 0.434 25125
14722 1 22 . 1 1 53 53 SER CA C 53 55.954 55.954 59.309 -3.354 25125
14723 1 22 . 1 1 53 53 SER CB C 53 66.473 66.473 63.986 2.487 25125
14724 1 22 . 1 1 53 53 SER H H 53 8.695 8.695 8.004 0.691 25125
14725 1 22 . 1 1 54 54 ASP N N 54 128.341 128.341 126.608 1.733 25125
14726 1 22 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.712 0.613 25125
14727 1 22 . 1 1 54 54 ASP C C 54 176.816 176.816 176.304 0.512 25125
14728 1 22 . 1 1 54 54 ASP CA C 54 54.493 54.493 55.359 -0.867 25125
14729 1 22 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.428 -0.100 25125
14730 1 22 . 1 1 54 54 ASP H H 54 7.886 7.886 8.220 -0.334 25125
14731 1 22 . 1 1 55 55 ILE N N 55 121.229 121.229 117.357 3.872 25125
14732 1 22 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.711 0.474 25125
14733 1 22 . 1 1 55 55 ILE C C 55 175.084 175.084 174.029 1.055 25125
14734 1 22 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.074 -0.532 25125
14735 1 22 . 1 1 55 55 ILE CB C 55 39.029 39.029 37.082 1.947 25125
14736 1 22 . 1 1 55 55 ILE H H 55 8.722 8.722 8.260 0.462 25125
14737 1 22 . 1 1 56 56 ARG N N 56 124.188 124.188 122.423 1.765 25125
14738 1 22 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.408 0.097 25125
14739 1 22 . 1 1 56 56 ARG C C 56 175.661 175.661 175.551 0.110 25125
14740 1 22 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.373 -0.932 25125
14741 1 22 . 1 1 56 56 ARG CB C 56 30.362 30.362 32.280 -1.918 25125
14742 1 22 . 1 1 56 56 ARG H H 56 8.499 8.499 8.111 0.388 25125
14743 1 22 . 1 1 57 57 MET N N 57 122.581 122.581 120.030 2.551 25125
14744 1 22 . 1 1 57 57 MET HA H 57 4.821 4.821 4.904 -0.083 25125
14745 1 22 . 1 1 57 57 MET CA C 57 53.132 53.132 54.100 -0.968 25125
14746 1 22 . 1 1 57 57 MET CB C 57 33.445 33.445 31.963 1.482 25125
14747 1 22 . 1 1 57 57 MET H H 57 7.956 7.956 8.012 -0.056 25125
14748 1 22 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.506 -0.113 25125
14749 1 22 . 1 1 58 58 PRO C C 58 177.806 177.806 178.224 -0.418 25125
14750 1 22 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.200 0.299 25125
14751 1 22 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.370 -0.563 25125
14752 1 22 . 1 1 59 59 GLY N N 59 111.082 111.082 108.169 2.913 25125
14753 1 22 . 1 1 59 59 GLY C C 59 173.626 173.626 175.536 -1.910 25125
14754 1 22 . 1 1 59 59 GLY CA C 59 45.590 45.590 46.380 -0.790 25125
14755 1 22 . 1 1 59 59 GLY H H 59 8.653 8.653 8.566 0.087 25125
14756 1 22 . 1 1 60 60 MET N N 60 120.052 120.052 122.262 -2.210 25125
14757 1 22 . 1 1 60 60 MET HA H 60 4.525 4.525 4.301 0.224 25125
14758 1 22 . 1 1 60 60 MET C C 60 173.956 173.956 176.956 -3.000 25125
14759 1 22 . 1 1 60 60 MET CA C 60 55.047 55.047 56.995 -1.948 25125
14760 1 22 . 1 1 60 60 MET CB C 60 34.506 34.506 32.967 1.539 25125
14761 1 22 . 1 1 60 60 MET H H 60 7.968 7.968 8.229 -0.261 25125
14762 1 22 . 1 1 61 61 ASP N N 61 121.306 121.306 116.706 4.600 25125
14763 1 22 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.192 0.512 25125
14764 1 22 . 1 1 61 61 ASP C C 61 176.761 176.761 176.514 0.247 25125
14765 1 22 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.222 -3.493 25125
14766 1 22 . 1 1 61 61 ASP CB C 61 41.069 41.069 39.972 1.097 25125
14767 1 22 . 1 1 61 61 ASP H H 61 8.379 8.379 8.284 0.095 25125
14768 1 22 . 1 1 62 62 GLY N N 62 110.874 110.874 104.824 6.050 25125
14769 1 22 . 1 1 62 62 GLY C C 62 175.194 175.194 174.694 0.500 25125
14770 1 22 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.599 1.502 25125
14771 1 22 . 1 1 62 62 GLY H H 62 8.707 8.707 8.345 0.362 25125
14772 1 22 . 1 1 63 63 LEU N N 63 121.299 121.299 121.926 -0.627 25125
14773 1 22 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.593 -0.416 25125
14774 1 22 . 1 1 63 63 LEU C C 63 178.356 178.356 178.110 0.246 25125
14775 1 22 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.390 1.488 25125
14776 1 22 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.262 0.976 25125
14777 1 22 . 1 1 63 63 LEU H H 63 8.045 8.045 7.956 0.089 25125
14778 1 22 . 1 1 64 64 ALA N N 64 122.741 122.741 123.710 -0.969 25125
14779 1 22 . 1 1 64 64 ALA HA H 64 4.062 4.062 3.983 0.079 25125
14780 1 22 . 1 1 64 64 ALA C C 64 180.556 180.556 179.173 1.383 25125
14781 1 22 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.384 -0.769 25125
14782 1 22 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.874 0.126 25125
14783 1 22 . 1 1 64 64 ALA H H 64 7.859 7.859 8.015 -0.156 25125
14784 1 22 . 1 1 65 65 LEU N N 65 120.287 120.287 114.265 6.022 25125
14785 1 22 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.323 -0.261 25125
14786 1 22 . 1 1 65 65 LEU C C 65 178.191 178.191 178.339 -0.148 25125
14787 1 22 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.494 1.525 25125
14788 1 22 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.998 -0.760 25125
14789 1 22 . 1 1 65 65 LEU H H 65 8.022 8.022 7.809 0.213 25125
14790 1 22 . 1 1 66 66 LEU N N 66 118.738 118.738 119.737 -0.999 25125
14791 1 22 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.201 -0.343 25125
14792 1 22 . 1 1 66 66 LEU C C 66 178.631 178.631 178.765 -0.134 25125
14793 1 22 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.413 1.933 25125
14794 1 22 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.942 0.296 25125
14795 1 22 . 1 1 66 66 LEU H H 66 8.101 8.101 7.785 0.316 25125
14796 1 22 . 1 1 67 67 LYS N N 67 117.842 117.842 116.767 1.075 25125
14797 1 22 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.099 -0.117 25125
14798 1 22 . 1 1 67 67 LYS C C 67 179.263 179.263 178.386 0.877 25125
14799 1 22 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.501 1.296 25125
14800 1 22 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.891 0.316 25125
14801 1 22 . 1 1 67 67 LYS H H 67 8.010 8.010 8.134 -0.124 25125
14802 1 22 . 1 1 68 68 GLN N N 68 118.875 118.875 117.657 1.218 25125
14803 1 22 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.297 -0.241 25125
14804 1 22 . 1 1 68 68 GLN C C 68 179.071 179.071 177.538 1.533 25125
14805 1 22 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.219 0.854 25125
14806 1 22 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.970 -0.359 25125
14807 1 22 . 1 1 68 68 GLN H H 68 7.809 7.809 7.521 0.288 25125
14808 1 22 . 1 1 69 69 ILE N N 69 120.377 120.377 121.537 -1.160 25125
14809 1 22 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.998 -0.468 25125
14810 1 22 . 1 1 69 69 ILE C C 69 177.421 177.421 178.315 -0.894 25125
14811 1 22 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.739 1.139 25125
14812 1 22 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.538 0.046 25125
14813 1 22 . 1 1 69 69 ILE H H 69 8.481 8.481 7.550 0.931 25125
14814 1 22 . 1 1 70 70 LYS N N 70 117.873 117.873 118.834 -0.961 25125
14815 1 22 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.139 -0.179 25125
14816 1 22 . 1 1 70 70 LYS C C 70 178.053 178.053 178.484 -0.431 25125
14817 1 22 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.144 -2.056 25125
14818 1 22 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.203 -0.991 25125
14819 1 22 . 1 1 70 70 LYS H H 70 8.220 8.220 7.991 0.229 25125
14820 1 22 . 1 1 71 71 GLN N N 71 116.315 116.315 118.007 -1.692 25125
14821 1 22 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.214 -0.222 25125
14822 1 22 . 1 1 71 71 GLN C C 71 177.366 177.366 178.208 -0.842 25125
14823 1 22 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.296 -0.106 25125
14824 1 22 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.008 -0.343 25125
14825 1 22 . 1 1 71 71 GLN H H 71 7.601 7.601 7.515 0.086 25125
14826 1 22 . 1 1 72 72 ARG N N 72 116.530 116.530 117.937 -1.407 25125
14827 1 22 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.031 -0.001 25125
14828 1 22 . 1 1 72 72 ARG C C 72 175.826 175.826 176.187 -0.361 25125
14829 1 22 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.688 -0.466 25125
14830 1 22 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.307 0.495 25125
14831 1 22 . 1 1 72 72 ARG H H 72 7.301 7.301 8.285 -0.984 25125
14832 1 22 . 1 1 73 73 HIS N N 73 116.755 116.755 116.204 0.551 25125
14833 1 22 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.886 0.074 25125
14834 1 22 . 1 1 73 73 HIS CA C 73 53.218 53.218 52.999 0.219 25125
14835 1 22 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.342 0.220 25125
14836 1 22 . 1 1 73 73 HIS H H 73 8.331 8.331 7.796 0.535 25125
14837 1 22 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.496 0.003 25125
14838 1 22 . 1 1 74 74 PRO C C 74 178.466 178.466 177.426 1.040 25125
14839 1 22 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.728 0.384 25125
14840 1 22 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.195 -0.100 25125
14841 1 22 . 1 1 75 75 MET N N 75 114.814 114.814 116.936 -2.122 25125
14842 1 22 . 1 1 75 75 MET HA H 75 4.567 4.567 4.489 0.078 25125
14843 1 22 . 1 1 75 75 MET C C 75 176.046 176.046 175.487 0.559 25125
14844 1 22 . 1 1 75 75 MET CA C 75 54.266 54.266 55.595 -1.329 25125
14845 1 22 . 1 1 75 75 MET CB C 75 31.288 31.288 32.615 -1.327 25125
14846 1 22 . 1 1 75 75 MET H H 75 8.623 8.623 7.705 0.918 25125
14847 1 22 . 1 1 76 76 LEU N N 76 125.533 125.533 122.758 2.775 25125
14848 1 22 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.793 -0.488 25125
14849 1 22 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.131 1.981 25125
14850 1 22 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.451 0.234 25125
14851 1 22 . 1 1 76 76 LEU H H 76 7.337 7.337 7.210 0.127 25125
14852 1 22 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.476 -0.030 25125
14853 1 22 . 1 1 77 77 PRO C C 77 174.974 174.974 175.287 -0.313 25125
14854 1 22 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.472 0.355 25125
14855 1 22 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.041 -0.319 25125
14856 1 22 . 1 1 78 78 VAL N N 78 123.779 123.779 122.893 0.886 25125
14857 1 22 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.367 0.657 25125
14858 1 22 . 1 1 78 78 VAL C C 78 175.441 175.441 175.339 0.102 25125
14859 1 22 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.492 -0.299 25125
14860 1 22 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.103 -0.809 25125
14861 1 22 . 1 1 78 78 VAL H H 78 8.317 8.317 8.209 0.108 25125
14862 1 22 . 1 1 79 79 ILE N N 79 128.334 128.334 121.186 7.148 25125
14863 1 22 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.715 -0.234 25125
14864 1 22 . 1 1 79 79 ILE C C 79 174.479 174.479 174.517 -0.038 25125
14865 1 22 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.005 -0.483 25125
14866 1 22 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.869 -1.906 25125
14867 1 22 . 1 1 79 79 ILE H H 79 9.292 9.292 7.893 1.399 25125
14868 1 22 . 1 1 80 80 ILE N N 80 127.023 127.023 124.942 2.081 25125
14869 1 22 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.459 0.400 25125
14870 1 22 . 1 1 80 80 ILE C C 80 175.029 175.029 175.163 -0.134 25125
14871 1 22 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.477 -1.321 25125
14872 1 22 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.637 -1.693 25125
14873 1 22 . 1 1 80 80 ILE H H 80 7.938 7.938 8.701 -0.763 25125
14874 1 22 . 1 1 81 81 MET N N 81 127.255 127.255 124.867 2.388 25125
14875 1 22 . 1 1 81 81 MET HA H 81 5.521 5.521 5.456 0.065 25125
14876 1 22 . 1 1 81 81 MET C C 81 174.534 174.534 175.367 -0.833 25125
14877 1 22 . 1 1 81 81 MET CA C 81 53.513 53.513 55.081 -1.568 25125
14878 1 22 . 1 1 81 81 MET CB C 81 35.483 35.483 35.649 -0.166 25125
14879 1 22 . 1 1 81 81 MET H H 81 8.801 8.801 8.478 0.323 25125
14880 1 22 . 1 1 82 82 THR N N 82 112.857 112.857 116.764 -3.907 25125
14881 1 22 . 1 1 82 82 THR HA H 82 4.914 4.914 4.429 0.485 25125
14882 1 22 . 1 1 82 82 THR C C 82 172.581 172.581 174.478 -1.897 25125
14883 1 22 . 1 1 82 82 THR CA C 82 59.561 59.561 63.842 -4.281 25125
14884 1 22 . 1 1 82 82 THR CB C 82 69.989 69.989 69.627 0.362 25125
14885 1 22 . 1 1 82 82 THR H H 82 7.623 7.623 8.298 -0.675 25125
14886 1 22 . 1 1 83 83 ALA N N 83 129.541 129.541 123.198 6.343 25125
14887 1 22 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.969 0.739 25125
14888 1 22 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.074 -1.536 25125
14889 1 22 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.139 2.008 25125
14890 1 22 . 1 1 83 83 ALA H H 83 9.149 9.149 8.266 0.883 25125
14891 1 22 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.523 -0.251 25125
14892 1 22 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.106 4.594 25125
14893 1 22 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.037 -0.019 25125
14894 1 22 . 1 1 85 85 SER N N 85 112.633 112.633 117.339 -4.706 25125
14895 1 22 . 1 1 85 85 SER HA H 85 4.198 4.198 4.151 0.047 25125
14896 1 22 . 1 1 85 85 SER C C 85 174.506 174.506 172.859 1.647 25125
14897 1 22 . 1 1 85 85 SER CA C 85 59.823 59.823 59.787 0.036 25125
14898 1 22 . 1 1 85 85 SER CB C 85 62.693 62.693 61.909 0.784 25125
14899 1 22 . 1 1 85 85 SER H H 85 8.224 8.224 8.718 -0.494 25125
14900 1 22 . 1 1 86 86 ASP N N 86 120.886 120.886 118.135 2.751 25125
14901 1 22 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.435 0.501 25125
14902 1 22 . 1 1 86 86 ASP C C 86 175.881 175.881 176.723 -0.842 25125
14903 1 22 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.073 -1.139 25125
14904 1 22 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.270 0.733 25125
14905 1 22 . 1 1 86 86 ASP H H 86 7.608 7.608 8.309 -0.701 25125
14906 1 22 . 1 1 87 87 LEU N N 87 121.913 121.913 122.054 -0.141 25125
14907 1 22 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.654 0.265 25125
14908 1 22 . 1 1 87 87 LEU C C 87 177.586 177.586 178.154 -0.568 25125
14909 1 22 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.535 -0.698 25125
14910 1 22 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.520 0.795 25125
14911 1 22 . 1 1 87 87 LEU H H 87 7.498 7.498 8.000 -0.501 25125
14912 1 22 . 1 1 88 88 ASP N N 88 117.621 117.621 117.676 -0.055 25125
14913 1 22 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.209 0.063 25125
14914 1 22 . 1 1 88 88 ASP C C 88 178.246 178.246 177.792 0.454 25125
14915 1 22 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.627 -0.817 25125
14916 1 22 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.579 -0.445 25125
14917 1 22 . 1 1 88 88 ASP H H 88 8.322 8.322 8.689 -0.367 25125
14918 1 22 . 1 1 89 89 ALA N N 89 122.874 122.874 121.296 1.578 25125
14919 1 22 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.359 -0.265 25125
14920 1 22 . 1 1 89 89 ALA C C 89 179.346 179.346 179.331 0.015 25125
14921 1 22 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.288 -0.135 25125
14922 1 22 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.792 -0.531 25125
14923 1 22 . 1 1 89 89 ALA H H 89 7.838 7.838 7.574 0.264 25125
14924 1 22 . 1 1 90 90 ALA N N 90 121.673 121.673 122.327 -0.654 25125
14925 1 22 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.059 -0.126 25125
14926 1 22 . 1 1 90 90 ALA C C 90 178.686 178.686 180.392 -1.706 25125
14927 1 22 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.120 -0.457 25125
14928 1 22 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.078 0.304 25125
14929 1 22 . 1 1 90 90 ALA H H 90 7.896 7.896 8.454 -0.558 25125
14930 1 22 . 1 1 91 91 VAL N N 91 117.749 117.749 118.040 -0.291 25125
14931 1 22 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.000 -0.388 25125
14932 1 22 . 1 1 91 91 VAL C C 91 178.411 178.411 177.660 0.751 25125
14933 1 22 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.497 -1.316 25125
14934 1 22 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.567 0.070 25125
14935 1 22 . 1 1 91 91 VAL H H 91 8.098 8.098 8.713 -0.615 25125
14936 1 22 . 1 1 92 92 SER N N 92 114.942 114.942 114.414 0.528 25125
14937 1 22 . 1 1 92 92 SER HA H 92 4.231 4.231 4.431 -0.200 25125
14938 1 22 . 1 1 92 92 SER C C 92 175.826 175.826 175.762 0.064 25125
14939 1 22 . 1 1 92 92 SER CA C 92 60.649 60.649 60.052 0.597 25125
14940 1 22 . 1 1 92 92 SER CB C 92 63.063 63.063 64.104 -1.041 25125
14941 1 22 . 1 1 92 92 SER H H 92 7.825 7.825 7.850 -0.025 25125
14942 1 22 . 1 1 93 93 ALA N N 93 122.580 122.580 123.261 -0.681 25125
14943 1 22 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.217 -0.160 25125
14944 1 22 . 1 1 93 93 ALA C C 93 178.906 178.906 179.461 -0.555 25125
14945 1 22 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.599 -0.282 25125
14946 1 22 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.705 -0.408 25125
14947 1 22 . 1 1 93 93 ALA H H 93 7.861 7.861 8.508 -0.647 25125
14948 1 22 . 1 1 94 94 TYR N N 94 118.447 118.447 120.643 -2.196 25125
14949 1 22 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.280 0.212 25125
14950 1 22 . 1 1 94 94 TYR C C 94 177.393 177.393 177.494 -0.101 25125
14951 1 22 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.031 -0.780 25125
14952 1 22 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.420 0.014 25125
14953 1 22 . 1 1 94 94 TYR H H 94 8.150 8.150 7.892 0.258 25125
14954 1 22 . 1 1 95 95 GLN N N 95 119.787 119.787 115.758 4.029 25125
14955 1 22 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.061 -0.018 25125
14956 1 22 . 1 1 95 95 GLN C C 95 176.981 176.981 176.492 0.489 25125
14957 1 22 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.963 0.503 25125
14958 1 22 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.805 0.284 25125
14959 1 22 . 1 1 95 95 GLN H H 95 8.271 8.271 8.000 0.271 25125
14960 1 22 . 1 1 96 96 GLN N N 96 117.878 117.878 118.403 -0.525 25125
14961 1 22 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.239 0.106 25125
14962 1 22 . 1 1 96 96 GLN C C 96 175.854 175.854 175.850 0.004 25125
14963 1 22 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.847 0.324 25125
14964 1 22 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.179 0.296 25125
14965 1 22 . 1 1 96 96 GLN H H 96 7.944 7.944 7.636 0.308 25125
14966 1 22 . 1 1 97 97 GLY N N 97 106.670 106.670 105.427 1.243 25125
14967 1 22 . 1 1 97 97 GLY C C 97 174.231 174.231 173.139 1.092 25125
14968 1 22 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.894 0.592 25125
14969 1 22 . 1 1 97 97 GLY H H 97 7.949 7.949 7.295 0.654 25125
14970 1 22 . 1 1 98 98 ALA N N 98 122.898 122.898 120.915 1.983 25125
14971 1 22 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.385 -0.010 25125
14972 1 22 . 1 1 98 98 ALA C C 98 175.991 175.991 175.561 0.430 25125
14973 1 22 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.223 1.945 25125
14974 1 22 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.430 -1.461 25125
14975 1 22 . 1 1 98 98 ALA H H 98 7.808 7.808 7.132 0.676 25125
14976 1 22 . 1 1 99 99 PHE N N 99 123.484 123.484 119.530 3.954 25125
14977 1 22 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.460 -0.110 25125
14978 1 22 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.411 2.045 25125
14979 1 22 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.131 -0.691 25125
14980 1 22 . 1 1 99 99 PHE H H 99 7.704 7.704 8.288 -0.584 25125
14981 1 22 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.881 0.623 25125
14982 1 22 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.837 -1.355 25125
14983 1 22 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.563 3.636 25125
14984 1 22 . 1 1 101 101 TYR N N 101 118.148 118.148 121.708 -3.560 25125
14985 1 22 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.509 0.939 25125
14986 1 22 . 1 1 101 101 TYR C C 101 173.159 173.159 174.495 -1.336 25125
14987 1 22 . 1 1 101 101 TYR CA C 101 55.987 55.987 55.624 0.363 25125
14988 1 22 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.103 2.795 25125
14989 1 22 . 1 1 101 101 TYR H H 101 9.546 9.546 7.379 2.167 25125
14990 1 22 . 1 1 102 102 LEU N N 102 124.100 124.100 121.043 3.057 25125
14991 1 22 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.056 -0.336 25125
14992 1 22 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.306 -0.807 25125
14993 1 22 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.422 -0.361 25125
14994 1 22 . 1 1 102 102 LEU H H 102 8.901 8.901 8.834 0.067 25125
14995 1 22 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.484 0.409 25125
14996 1 22 . 1 1 103 103 PRO C C 103 175.524 175.524 175.495 0.029 25125
14997 1 22 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.394 -0.509 25125
14998 1 22 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.138 -0.331 25125
14999 1 22 . 1 1 104 104 LYS N N 104 118.848 118.848 122.451 -3.603 25125
15000 1 22 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.948 -0.435 25125
15001 1 22 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.571 -0.353 25125
15002 1 22 . 1 1 104 104 LYS CB C 104 34.744 34.744 34.008 0.736 25125
15003 1 22 . 1 1 104 104 LYS H H 104 8.279 8.279 8.185 0.094 25125
15004 1 22 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.324 -0.025 25125
15005 1 22 . 1 1 105 105 PRO C C 105 175.001 175.001 175.567 -0.566 25125
15006 1 22 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.761 -0.367 25125
15007 1 22 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.137 1.958 25125
15008 1 22 . 1 1 106 106 PHE N N 106 116.607 116.607 113.812 2.795 25125
15009 1 22 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.694 0.476 25125
15010 1 22 . 1 1 106 106 PHE C C 106 175.221 175.221 173.640 1.581 25125
15011 1 22 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.917 -2.482 25125
15012 1 22 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.283 0.117 25125
15013 1 22 . 1 1 106 106 PHE H H 106 7.457 7.457 7.550 -0.093 25125
15014 1 22 . 1 1 107 107 ASP N N 107 122.214 122.214 122.563 -0.349 25125
15015 1 22 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.993 -0.161 25125
15016 1 22 . 1 1 107 107 ASP C C 107 177.778 177.778 176.981 0.797 25125
15017 1 22 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.760 -0.518 25125
15018 1 22 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.450 1.147 25125
15019 1 22 . 1 1 107 107 ASP H H 107 9.022 9.022 8.659 0.363 25125
15020 1 22 . 1 1 108 108 ILE N N 108 127.706 127.706 125.280 2.426 25125
15021 1 22 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.747 0.218 25125
15022 1 22 . 1 1 108 108 ILE C C 108 176.046 176.046 177.204 -1.158 25125
15023 1 22 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.923 -1.934 25125
15024 1 22 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.108 -0.354 25125
15025 1 22 . 1 1 108 108 ILE H H 108 8.860 8.860 8.728 0.132 25125
15026 1 22 . 1 1 109 109 ASP N N 109 120.058 120.058 119.054 1.004 25125
15027 1 22 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.355 0.033 25125
15028 1 22 . 1 1 109 109 ASP C C 109 179.786 179.786 178.818 0.968 25125
15029 1 22 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.801 -0.307 25125
15030 1 22 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.282 -0.228 25125
15031 1 22 . 1 1 109 109 ASP H H 109 8.079 8.079 8.647 -0.568 25125
15032 1 22 . 1 1 110 110 GLU N N 110 121.559 121.559 119.482 2.077 25125
15033 1 22 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.177 -0.109 25125
15034 1 22 . 1 1 110 110 GLU C C 110 179.043 179.043 178.300 0.743 25125
15035 1 22 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.419 0.407 25125
15036 1 22 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.895 -0.552 25125
15037 1 22 . 1 1 110 110 GLU H H 110 8.012 8.012 8.066 -0.054 25125
15038 1 22 . 1 1 111 111 ALA N N 111 122.267 122.267 123.619 -1.352 25125
15039 1 22 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.950 -0.196 25125
15040 1 22 . 1 1 111 111 ALA C C 111 178.493 178.493 179.578 -1.085 25125
15041 1 22 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.246 -0.074 25125
15042 1 22 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.232 0.150 25125
15043 1 22 . 1 1 111 111 ALA H H 111 7.897 7.897 7.838 0.059 25125
15044 1 22 . 1 1 112 112 VAL N N 112 116.527 116.527 118.082 -1.555 25125
15045 1 22 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.578 -0.411 25125
15046 1 22 . 1 1 112 112 VAL C C 112 177.201 177.201 177.854 -0.653 25125
15047 1 22 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.821 0.324 25125
15048 1 22 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.295 0.257 25125
15049 1 22 . 1 1 112 112 VAL H H 112 8.018 8.018 8.364 -0.346 25125
15050 1 22 . 1 1 113 113 ALA N N 113 119.895 119.895 121.085 -1.190 25125
15051 1 22 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.231 -0.093 25125
15052 1 22 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.455 0.377 25125
15053 1 22 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.537 -0.665 25125
15054 1 22 . 1 1 113 113 ALA H H 113 7.673 7.673 7.322 0.351 25125
15055 1 22 . 1 1 114 114 LEU N N 114 120.650 120.650 121.007 -0.357 25125
15056 1 22 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.151 -0.068 25125
15057 1 22 . 1 1 114 114 LEU C C 114 178.466 178.466 178.512 -0.046 25125
15058 1 22 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.707 0.313 25125
15059 1 22 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.119 -0.286 25125
15060 1 22 . 1 1 114 114 LEU H H 114 7.840 7.840 7.727 0.113 25125
15061 1 22 . 1 1 115 115 VAL N N 115 119.480 119.480 118.665 0.815 25125
15062 1 22 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.486 -0.274 25125
15063 1 22 . 1 1 115 115 VAL C C 115 177.448 177.448 177.322 0.126 25125
15064 1 22 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.836 1.365 25125
15065 1 22 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.433 -0.761 25125
15066 1 22 . 1 1 115 115 VAL H H 115 7.824 7.824 8.208 -0.384 25125
15067 1 22 . 1 1 116 116 GLU N N 116 117.473 117.473 119.226 -1.753 25125
15068 1 22 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.894 -0.105 25125
15069 1 22 . 1 1 116 116 GLU C C 116 179.566 179.566 178.442 1.124 25125
15070 1 22 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.745 0.185 25125
15071 1 22 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.241 -0.145 25125
15072 1 22 . 1 1 116 116 GLU H H 116 8.465 8.465 7.686 0.779 25125
15073 1 22 . 1 1 117 117 ARG N N 117 120.128 120.128 119.296 0.832 25125
15074 1 22 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.022 0.042 25125
15075 1 22 . 1 1 117 117 ARG C C 117 178.438 178.438 176.941 1.497 25125
15076 1 22 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.452 0.826 25125
15077 1 22 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.872 0.405 25125
15078 1 22 . 1 1 117 117 ARG H H 117 8.012 8.012 7.509 0.503 25125
15079 1 22 . 1 1 118 118 ALA N N 118 122.270 122.270 119.761 2.509 25125
15080 1 22 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.788 -0.332 25125
15081 1 22 . 1 1 118 118 ALA C C 118 178.741 178.741 178.513 0.228 25125
15082 1 22 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.814 0.764 25125
15083 1 22 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.394 -1.236 25125
15084 1 22 . 1 1 118 118 ALA H H 118 7.958 7.958 7.194 0.764 25125
15085 1 22 . 1 1 119 119 ILE N N 119 115.269 115.269 117.288 -2.019 25125
15086 1 22 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.295 0.433 25125
15087 1 22 . 1 1 119 119 ILE C C 119 177.366 177.366 178.051 -0.685 25125
15088 1 22 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.291 -0.622 25125
15089 1 22 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.088 -0.290 25125
15090 1 22 . 1 1 119 119 ILE H H 119 7.753 7.753 7.588 0.165 25125
15091 1 22 . 1 1 120 120 SER N N 120 115.135 115.135 113.386 1.749 25125
15092 1 22 . 1 1 120 120 SER HA H 120 4.275 4.275 4.138 0.137 25125
15093 1 22 . 1 1 120 120 SER C C 120 175.084 175.084 174.302 0.782 25125
15094 1 22 . 1 1 120 120 SER CA C 120 59.816 59.816 58.678 1.138 25125
15095 1 22 . 1 1 120 120 SER CB C 120 63.380 63.380 63.096 0.284 25125
15096 1 22 . 1 1 120 120 SER H H 120 7.816 7.816 8.124 -0.308 25125
15097 1 22 . 1 1 121 121 HIS N N 121 119.908 119.908 119.299 0.609 25125
15098 1 22 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.236 0.186 25125
15099 1 22 . 1 1 121 121 HIS C C 121 175.029 175.029 177.834 -2.805 25125
15100 1 22 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.258 -2.022 25125
15101 1 22 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.777 -0.350 25125
15102 1 22 . 1 1 121 121 HIS H H 121 7.910 7.910 7.164 0.746 25125
15103 1 22 . 1 1 122 122 TYR N N 122 118.880 118.880 119.217 -0.337 25125
15104 1 22 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.432 -0.006 25125
15105 1 22 . 1 1 122 122 TYR C C 122 175.276 175.276 177.281 -2.005 25125
15106 1 22 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.912 -1.463 25125
15107 1 22 . 1 1 122 122 TYR CB C 122 38.604 38.604 37.642 0.962 25125
15108 1 22 . 1 1 122 122 TYR H H 122 7.766 7.766 7.079 0.687 25125
15109 1 22 . 1 1 123 123 GLN N N 123 121.479 121.479 116.936 4.543 25125
15110 1 22 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.418 -0.148 25125
15111 1 22 . 1 1 123 123 GLN C C 123 174.534 174.534 175.818 -1.284 25125
15112 1 22 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.337 0.176 25125
15113 1 22 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.286 1.482 25125
15114 1 22 . 1 1 123 123 GLN H H 123 7.878 7.878 8.258 -0.380 25125
15115 1 23 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.694 -0.261 25125
15116 1 23 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.086 0.478 25125
15117 1 23 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.485 2.115 25125
15118 1 23 . 1 1 3 3 ARG N N 3 121.252 121.252 120.149 1.103 25125
15119 1 23 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.189 0.176 25125
15120 1 23 . 1 1 3 3 ARG C C 3 175.634 175.634 175.801 -0.167 25125
15121 1 23 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.630 -0.639 25125
15122 1 23 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.237 1.060 25125
15123 1 23 . 1 1 3 3 ARG H H 3 8.429 8.429 7.513 0.916 25125
15124 1 23 . 1 1 4 4 GLY N N 4 107.663 107.663 108.550 -0.887 25125
15125 1 23 . 1 1 4 4 GLY C C 4 171.041 171.041 173.212 -2.171 25125
15126 1 23 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.333 0.983 25125
15127 1 23 . 1 1 4 4 GLY H H 4 7.963 7.963 7.677 0.286 25125
15128 1 23 . 1 1 5 5 ILE N N 5 122.603 122.603 124.760 -2.157 25125
15129 1 23 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.000 0.699 25125
15130 1 23 . 1 1 5 5 ILE C C 5 175.359 175.359 175.193 0.166 25125
15131 1 23 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.650 -1.040 25125
15132 1 23 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.288 0.288 25125
15133 1 23 . 1 1 5 5 ILE H H 5 9.610 9.610 8.175 1.435 25125
15134 1 23 . 1 1 6 6 VAL N N 6 127.905 127.905 124.582 3.323 25125
15135 1 23 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.983 -0.171 25125
15136 1 23 . 1 1 6 6 VAL C C 6 174.204 174.204 175.286 -1.082 25125
15137 1 23 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.648 -1.089 25125
15138 1 23 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.168 0.358 25125
15139 1 23 . 1 1 6 6 VAL H H 6 9.090 9.090 7.847 1.243 25125
15140 1 23 . 1 1 7 7 TRP N N 7 127.467 127.467 127.397 0.070 25125
15141 1 23 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.351 1.103 25125
15142 1 23 . 1 1 7 7 TRP C C 7 175.056 175.056 175.340 -0.284 25125
15143 1 23 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.278 -1.400 25125
15144 1 23 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.878 0.256 25125
15145 1 23 . 1 1 7 7 TRP H H 7 8.497 8.497 8.170 0.327 25125
15146 1 23 . 1 1 8 8 VAL N N 8 122.068 122.068 117.408 4.660 25125
15147 1 23 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.522 0.564 25125
15148 1 23 . 1 1 8 8 VAL C C 8 173.874 173.874 173.933 -0.059 25125
15149 1 23 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.526 -1.040 25125
15150 1 23 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.992 -0.278 25125
15151 1 23 . 1 1 8 8 VAL H H 8 8.583 8.583 9.423 -0.840 25125
15152 1 23 . 1 1 9 9 VAL N N 9 127.733 127.733 125.911 1.822 25125
15153 1 23 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.648 0.313 25125
15154 1 23 . 1 1 9 9 VAL C C 9 173.131 173.131 174.046 -0.915 25125
15155 1 23 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.467 -0.792 25125
15156 1 23 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.431 0.480 25125
15157 1 23 . 1 1 9 9 VAL H H 9 9.107 9.107 8.748 0.359 25125
15158 1 23 . 1 1 10 10 ASP N N 10 124.306 124.306 125.943 -1.637 25125
15159 1 23 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.892 -0.323 25125
15160 1 23 . 1 1 10 10 ASP C C 10 175.029 175.029 174.793 0.236 25125
15161 1 23 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.801 1.946 25125
15162 1 23 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.519 0.590 25125
15163 1 23 . 1 1 10 10 ASP H H 10 7.775 7.775 7.997 -0.222 25125
15164 1 23 . 1 1 11 11 ASP N N 11 126.714 126.714 118.235 8.479 25125
15165 1 23 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.958 -0.423 25125
15166 1 23 . 1 1 11 11 ASP C C 11 175.689 175.689 174.993 0.696 25125
15167 1 23 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.451 2.267 25125
15168 1 23 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.743 0.331 25125
15169 1 23 . 1 1 11 11 ASP H H 11 9.033 9.033 8.549 0.484 25125
15170 1 23 . 1 1 12 12 ASP N N 12 121.877 121.877 119.548 2.329 25125
15171 1 23 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.876 -0.230 25125
15172 1 23 . 1 1 12 12 ASP C C 12 177.036 177.036 176.478 0.558 25125
15173 1 23 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.239 0.064 25125
15174 1 23 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.645 -3.481 25125
15175 1 23 . 1 1 12 12 ASP H H 12 9.570 9.570 8.545 1.025 25125
15176 1 23 . 1 1 13 13 SER N N 13 123.799 123.799 117.751 6.048 25125
15177 1 23 . 1 1 13 13 SER HA H 13 3.761 3.761 4.378 -0.617 25125
15178 1 23 . 1 1 13 13 SER C C 13 176.156 176.156 175.927 0.229 25125
15179 1 23 . 1 1 13 13 SER CA C 13 61.186 61.186 61.514 -0.328 25125
15180 1 23 . 1 1 13 13 SER CB C 13 62.749 62.749 63.387 -0.638 25125
15181 1 23 . 1 1 13 13 SER H H 13 8.850 8.850 8.865 -0.015 25125
15182 1 23 . 1 1 14 14 SER N N 14 119.123 119.123 117.263 1.860 25125
15183 1 23 . 1 1 14 14 SER HA H 14 4.361 4.361 4.529 -0.168 25125
15184 1 23 . 1 1 14 14 SER C C 14 176.404 176.404 176.599 -0.195 25125
15185 1 23 . 1 1 14 14 SER CA C 14 61.730 61.730 61.042 0.688 25125
15186 1 23 . 1 1 14 14 SER CB C 14 62.548 62.548 63.030 -0.482 25125
15187 1 23 . 1 1 14 14 SER H H 14 8.531 8.531 8.519 0.012 25125
15188 1 23 . 1 1 15 15 ILE N N 15 123.637 123.637 121.567 2.070 25125
15189 1 23 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.849 0.096 25125
15190 1 23 . 1 1 15 15 ILE C C 15 177.861 177.861 177.659 0.202 25125
15191 1 23 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.882 -2.682 25125
15192 1 23 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.918 -1.032 25125
15193 1 23 . 1 1 15 15 ILE H H 15 7.206 7.206 8.231 -1.025 25125
15194 1 23 . 1 1 16 16 ARG N N 16 116.694 116.694 118.288 -1.594 25125
15195 1 23 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.353 -0.630 25125
15196 1 23 . 1 1 16 16 ARG C C 16 177.448 177.448 177.997 -0.549 25125
15197 1 23 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.644 2.929 25125
15198 1 23 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.162 0.285 25125
15199 1 23 . 1 1 16 16 ARG H H 16 7.562 7.562 7.550 0.012 25125
15200 1 23 . 1 1 17 17 TRP N N 17 116.848 116.848 123.080 -6.232 25125
15201 1 23 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.502 -0.031 25125
15202 1 23 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.001 0.439 25125
15203 1 23 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.522 -0.230 25125
15204 1 23 . 1 1 17 17 TRP H H 17 8.005 8.005 7.685 0.320 25125
15205 1 23 . 1 1 18 18 VAL N N 18 116.964 116.964 120.060 -3.096 25125
15206 1 23 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.817 0.858 25125
15207 1 23 . 1 1 18 18 VAL C C 18 179.181 179.181 177.479 1.702 25125
15208 1 23 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.483 0.225 25125
15209 1 23 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.144 0.493 25125
15210 1 23 . 1 1 18 18 VAL H H 18 8.110 8.110 8.641 -0.531 25125
15211 1 23 . 1 1 19 19 LEU N N 19 120.186 120.186 118.173 2.013 25125
15212 1 23 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.082 -0.007 25125
15213 1 23 . 1 1 19 19 LEU C C 19 177.778 177.778 178.757 -0.979 25125
15214 1 23 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.267 0.555 25125
15215 1 23 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.679 0.101 25125
15216 1 23 . 1 1 19 19 LEU H H 19 8.073 8.073 7.523 0.550 25125
15217 1 23 . 1 1 20 20 GLU N N 20 120.193 120.193 119.424 0.769 25125
15218 1 23 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.013 -0.072 25125
15219 1 23 . 1 1 20 20 GLU C C 20 178.603 178.603 178.832 -0.229 25125
15220 1 23 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.424 1.186 25125
15221 1 23 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.675 -0.587 25125
15222 1 23 . 1 1 20 20 GLU H H 20 8.387 8.387 8.147 0.240 25125
15223 1 23 . 1 1 21 21 ARG N N 21 116.076 116.076 119.082 -3.006 25125
15224 1 23 . 1 1 21 21 ARG HA H 21 3.893 3.893 4.008 -0.115 25125
15225 1 23 . 1 1 21 21 ARG C C 21 179.676 179.676 178.431 1.245 25125
15226 1 23 . 1 1 21 21 ARG CA C 21 58.449 58.449 59.163 -0.715 25125
15227 1 23 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.922 -0.069 25125
15228 1 23 . 1 1 21 21 ARG H H 21 7.602 7.602 7.677 -0.075 25125
15229 1 23 . 1 1 22 22 ALA N N 22 122.405 122.405 122.516 -0.111 25125
15230 1 23 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.065 0.032 25125
15231 1 23 . 1 1 22 22 ALA C C 22 180.501 180.501 179.119 1.382 25125
15232 1 23 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.914 -0.336 25125
15233 1 23 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.295 0.937 25125
15234 1 23 . 1 1 22 22 ALA H H 22 7.992 7.992 7.788 0.204 25125
15235 1 23 . 1 1 23 23 LEU N N 23 118.026 118.026 117.429 0.597 25125
15236 1 23 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.246 -0.245 25125
15237 1 23 . 1 1 23 23 LEU C C 23 178.878 178.878 179.027 -0.149 25125
15238 1 23 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.679 1.042 25125
15239 1 23 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.055 -2.400 25125
15240 1 23 . 1 1 23 23 LEU H H 23 8.825 8.825 7.507 1.318 25125
15241 1 23 . 1 1 24 24 ALA N N 24 122.159 122.159 123.004 -0.845 25125
15242 1 23 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.999 0.634 25125
15243 1 23 . 1 1 24 24 ALA C C 24 183.141 183.141 179.545 3.596 25125
15244 1 23 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.858 -0.111 25125
15245 1 23 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.445 -0.743 25125
15246 1 23 . 1 1 24 24 ALA H H 24 8.125 8.125 7.834 0.291 25125
15247 1 23 . 1 1 25 25 GLY N N 25 106.891 106.891 103.806 3.085 25125
15248 1 23 . 1 1 25 25 GLY C C 25 174.286 174.286 174.578 -0.292 25125
15249 1 23 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.178 1.243 25125
15250 1 23 . 1 1 25 25 GLY H H 25 7.870 7.870 8.242 -0.372 25125
15251 1 23 . 1 1 26 26 ALA N N 26 121.819 121.819 122.821 -1.002 25125
15252 1 23 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.596 -0.097 25125
15253 1 23 . 1 1 26 26 ALA C C 26 176.953 176.953 177.354 -0.401 25125
15254 1 23 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.503 0.016 25125
15255 1 23 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.635 -0.913 25125
15256 1 23 . 1 1 26 26 ALA H H 26 7.285 7.285 7.495 -0.210 25125
15257 1 23 . 1 1 27 27 GLY N N 27 106.197 106.197 106.159 0.038 25125
15258 1 23 . 1 1 27 27 GLY C C 27 173.956 173.956 173.215 0.741 25125
15259 1 23 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.432 -0.116 25125
15260 1 23 . 1 1 27 27 GLY H H 27 7.824 7.824 7.775 0.049 25125
15261 1 23 . 1 1 28 28 LEU N N 28 120.291 120.291 117.225 3.066 25125
15262 1 23 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.763 -0.188 25125
15263 1 23 . 1 1 28 28 LEU C C 28 175.881 175.881 176.471 -0.590 25125
15264 1 23 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.838 0.805 25125
15265 1 23 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.486 -2.001 25125
15266 1 23 . 1 1 28 28 LEU H H 28 7.678 7.678 7.636 0.042 25125
15267 1 23 . 1 1 29 29 THR N N 29 118.040 118.040 117.455 0.585 25125
15268 1 23 . 1 1 29 29 THR HA H 29 4.335 4.335 4.207 0.128 25125
15269 1 23 . 1 1 29 29 THR C C 29 173.186 173.186 173.772 -0.586 25125
15270 1 23 . 1 1 29 29 THR CA C 29 62.479 62.479 64.436 -1.957 25125
15271 1 23 . 1 1 29 29 THR CB C 29 69.465 69.465 69.583 -0.118 25125
15272 1 23 . 1 1 29 29 THR H H 29 8.527 8.527 8.492 0.035 25125
15273 1 23 . 1 1 30 30 CYS N N 30 128.387 128.387 121.047 7.340 25125
15274 1 23 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.527 0.416 25125
15275 1 23 . 1 1 30 30 CYS C C 30 173.846 173.846 174.079 -0.233 25125
15276 1 23 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.783 -0.422 25125
15277 1 23 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.844 -1.364 25125
15278 1 23 . 1 1 30 30 CYS H H 30 8.968 8.968 8.416 0.552 25125
15279 1 23 . 1 1 31 31 THR N N 31 126.481 126.481 123.564 2.917 25125
15280 1 23 . 1 1 31 31 THR HA H 31 4.433 4.433 4.420 0.013 25125
15281 1 23 . 1 1 31 31 THR C C 31 172.609 172.609 173.398 -0.789 25125
15282 1 23 . 1 1 31 31 THR CA C 31 61.951 61.951 61.540 0.411 25125
15283 1 23 . 1 1 31 31 THR CB C 31 70.567 70.567 70.123 0.444 25125
15284 1 23 . 1 1 31 31 THR H H 31 8.614 8.614 8.529 0.085 25125
15285 1 23 . 1 1 32 32 THR N N 32 116.418 116.418 118.561 -2.143 25125
15286 1 23 . 1 1 32 32 THR HA H 32 5.330 5.330 5.009 0.321 25125
15287 1 23 . 1 1 32 32 THR C C 32 172.306 172.306 173.180 -0.874 25125
15288 1 23 . 1 1 32 32 THR CA C 32 59.173 59.173 60.343 -1.170 25125
15289 1 23 . 1 1 32 32 THR CB C 32 70.917 70.917 69.486 1.431 25125
15290 1 23 . 1 1 32 32 THR H H 32 8.299 8.299 8.269 0.030 25125
15291 1 23 . 1 1 33 33 PHE N N 33 118.067 118.067 124.894 -6.827 25125
15292 1 23 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.804 -0.162 25125
15293 1 23 . 1 1 33 33 PHE C C 33 174.341 174.341 174.935 -0.594 25125
15294 1 23 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.573 -0.041 25125
15295 1 23 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.757 0.552 25125
15296 1 23 . 1 1 33 33 PHE H H 33 8.890 8.890 8.818 0.072 25125
15297 1 23 . 1 1 34 34 GLU N N 34 118.499 118.499 116.350 2.149 25125
15298 1 23 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.834 -0.480 25125
15299 1 23 . 1 1 34 34 GLU C C 34 175.414 175.414 174.849 0.565 25125
15300 1 23 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.874 0.818 25125
15301 1 23 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.351 1.117 25125
15302 1 23 . 1 1 34 34 GLU H H 34 9.023 9.023 8.664 0.359 25125
15303 1 23 . 1 1 35 35 ASN N N 35 109.907 109.907 118.529 -8.622 25125
15304 1 23 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.729 0.052 25125
15305 1 23 . 1 1 35 35 ASN C C 35 175.139 175.139 174.782 0.357 25125
15306 1 23 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.253 -1.107 25125
15307 1 23 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.282 2.042 25125
15308 1 23 . 1 1 35 35 ASN H H 35 7.401 7.401 8.237 -0.836 25125
15309 1 23 . 1 1 36 36 GLY N N 36 106.739 106.739 106.971 -0.232 25125
15310 1 23 . 1 1 36 36 GLY C C 36 174.616 174.616 174.454 0.162 25125
15311 1 23 . 1 1 36 36 GLY CA C 36 47.016 47.016 45.148 1.867 25125
15312 1 23 . 1 1 36 36 GLY H H 36 8.877 8.877 8.075 0.802 25125
15313 1 23 . 1 1 37 37 ASN N N 37 120.462 120.462 120.285 0.177 25125
15314 1 23 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.448 -0.086 25125
15315 1 23 . 1 1 37 37 ASN C C 37 178.686 178.686 175.982 2.704 25125
15316 1 23 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.382 1.150 25125
15317 1 23 . 1 1 37 37 ASN CB C 37 37.584 37.584 37.545 0.039 25125
15318 1 23 . 1 1 37 37 ASN H H 37 8.366 8.366 8.756 -0.390 25125
15319 1 23 . 1 1 38 38 GLU N N 38 119.360 119.360 117.303 2.057 25125
15320 1 23 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.260 -0.190 25125
15321 1 23 . 1 1 38 38 GLU C C 38 179.263 179.263 177.790 1.473 25125
15322 1 23 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.883 0.749 25125
15323 1 23 . 1 1 38 38 GLU CB C 38 30.532 30.532 28.873 1.659 25125
15324 1 23 . 1 1 38 38 GLU H H 38 7.990 7.990 8.587 -0.597 25125
15325 1 23 . 1 1 39 39 VAL N N 39 119.259 119.259 119.443 -0.184 25125
15326 1 23 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.337 -0.569 25125
15327 1 23 . 1 1 39 39 VAL C C 39 176.431 176.431 177.695 -1.264 25125
15328 1 23 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.350 1.593 25125
15329 1 23 . 1 1 39 39 VAL CB C 39 31.075 31.075 30.997 0.078 25125
15330 1 23 . 1 1 39 39 VAL H H 39 6.883 6.883 7.910 -1.027 25125
15331 1 23 . 1 1 40 40 LEU N N 40 119.627 119.627 121.748 -2.121 25125
15332 1 23 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.990 -0.063 25125
15333 1 23 . 1 1 40 40 LEU C C 40 179.538 179.538 178.204 1.334 25125
15334 1 23 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.258 -0.318 25125
15335 1 23 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.212 -0.145 25125
15336 1 23 . 1 1 40 40 LEU H H 40 7.692 7.692 7.460 0.232 25125
15337 1 23 . 1 1 41 41 ALA N N 41 120.051 120.051 120.104 -0.053 25125
15338 1 23 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.144 -0.004 25125
15339 1 23 . 1 1 41 41 ALA C C 41 180.528 180.528 179.699 0.829 25125
15340 1 23 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.542 0.108 25125
15341 1 23 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.879 -0.013 25125
15342 1 23 . 1 1 41 41 ALA H H 41 7.553 7.553 7.937 -0.384 25125
15343 1 23 . 1 1 42 42 ALA N N 42 122.731 122.731 122.403 0.328 25125
15344 1 23 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.185 0.014 25125
15345 1 23 . 1 1 42 42 ALA C C 42 180.198 180.198 180.170 0.028 25125
15346 1 23 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.639 0.393 25125
15347 1 23 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.088 1.311 25125
15348 1 23 . 1 1 42 42 ALA H H 42 7.604 7.604 7.314 0.290 25125
15349 1 23 . 1 1 43 43 LEU N N 43 119.131 119.131 117.707 1.424 25125
15350 1 23 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.201 1.005 25125
15351 1 23 . 1 1 43 43 LEU C C 43 177.421 177.421 178.914 -1.493 25125
15352 1 23 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.213 -1.668 25125
15353 1 23 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.171 1.433 25125
15354 1 23 . 1 1 43 43 LEU H H 43 8.288 8.288 7.917 0.371 25125
15355 1 23 . 1 1 44 44 ALA N N 44 119.065 119.065 119.479 -0.414 25125
15356 1 23 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.352 -0.123 25125
15357 1 23 . 1 1 44 44 ALA C C 44 178.686 178.686 177.907 0.779 25125
15358 1 23 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.561 0.677 25125
15359 1 23 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.793 -0.277 25125
15360 1 23 . 1 1 44 44 ALA H H 44 7.302 7.302 7.735 -0.433 25125
15361 1 23 . 1 1 45 45 SER N N 45 108.656 108.656 111.615 -2.959 25125
15362 1 23 . 1 1 45 45 SER HA H 45 4.742 4.742 4.679 0.063 25125
15363 1 23 . 1 1 45 45 SER C C 45 173.296 173.296 173.985 -0.689 25125
15364 1 23 . 1 1 45 45 SER CA C 45 58.656 58.656 58.742 -0.087 25125
15365 1 23 . 1 1 45 45 SER CB C 45 65.407 65.407 63.953 1.454 25125
15366 1 23 . 1 1 45 45 SER H H 45 7.728 7.728 7.628 0.100 25125
15367 1 23 . 1 1 46 46 LYS N N 46 123.016 123.016 119.966 3.050 25125
15368 1 23 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.405 0.181 25125
15369 1 23 . 1 1 46 46 LYS C C 46 172.719 172.719 174.914 -2.195 25125
15370 1 23 . 1 1 46 46 LYS CA C 46 55.512 55.512 57.122 -1.610 25125
15371 1 23 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.064 2.161 25125
15372 1 23 . 1 1 46 46 LYS H H 46 8.101 8.101 7.700 0.401 25125
15373 1 23 . 1 1 47 47 THR N N 47 111.780 111.780 115.942 -4.162 25125
15374 1 23 . 1 1 47 47 THR HA H 47 4.282 4.282 3.792 0.490 25125
15375 1 23 . 1 1 47 47 THR CA C 47 57.806 57.806 62.175 -4.369 25125
15376 1 23 . 1 1 47 47 THR CB C 47 70.594 70.594 67.890 2.704 25125
15377 1 23 . 1 1 47 47 THR H H 47 7.677 7.677 7.770 -0.093 25125
15378 1 23 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.858 0.047 25125
15379 1 23 . 1 1 48 48 PRO C C 48 172.966 172.966 175.588 -2.622 25125
15380 1 23 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.687 -0.822 25125
15381 1 23 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.631 -1.354 25125
15382 1 23 . 1 1 49 49 ASP N N 49 115.035 115.035 119.008 -3.973 25125
15383 1 23 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.445 -0.001 25125
15384 1 23 . 1 1 49 49 ASP C C 49 175.634 175.634 175.583 0.051 25125
15385 1 23 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.550 0.897 25125
15386 1 23 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.557 -0.045 25125
15387 1 23 . 1 1 49 49 ASP H H 49 8.502 8.502 8.212 0.290 25125
15388 1 23 . 1 1 50 50 VAL N N 50 112.082 112.082 114.536 -2.454 25125
15389 1 23 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.475 -0.195 25125
15390 1 23 . 1 1 50 50 VAL C C 50 171.454 171.454 172.798 -1.344 25125
15391 1 23 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.687 -1.125 25125
15392 1 23 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.354 0.282 25125
15393 1 23 . 1 1 50 50 VAL H H 50 7.173 7.173 7.097 0.076 25125
15394 1 23 . 1 1 51 51 LEU N N 51 128.247 128.247 125.614 2.633 25125
15395 1 23 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.214 0.105 25125
15396 1 23 . 1 1 51 51 LEU C C 51 173.104 173.104 175.115 -2.011 25125
15397 1 23 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.233 -0.016 25125
15398 1 23 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.271 0.235 25125
15399 1 23 . 1 1 51 51 LEU H H 51 8.059 8.059 8.060 -0.001 25125
15400 1 23 . 1 1 52 52 LEU N N 52 128.407 128.407 121.040 7.367 25125
15401 1 23 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.997 0.504 25125
15402 1 23 . 1 1 52 52 LEU C C 52 175.414 175.414 175.927 -0.513 25125
15403 1 23 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.196 0.127 25125
15404 1 23 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.268 1.253 25125
15405 1 23 . 1 1 52 52 LEU H H 52 9.242 9.242 8.231 1.011 25125
15406 1 23 . 1 1 53 53 SER N N 53 114.946 114.946 117.316 -2.370 25125
15407 1 23 . 1 1 53 53 SER HA H 53 5.595 5.595 4.321 1.274 25125
15408 1 23 . 1 1 53 53 SER C C 53 174.644 174.644 174.259 0.385 25125
15409 1 23 . 1 1 53 53 SER CA C 53 55.954 55.954 58.262 -2.308 25125
15410 1 23 . 1 1 53 53 SER CB C 53 66.473 66.473 64.547 1.926 25125
15411 1 23 . 1 1 53 53 SER H H 53 8.695 8.695 7.968 0.727 25125
15412 1 23 . 1 1 54 54 ASP N N 54 128.341 128.341 128.419 -0.078 25125
15413 1 23 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.640 0.685 25125
15414 1 23 . 1 1 54 54 ASP C C 54 176.816 176.816 176.079 0.737 25125
15415 1 23 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.380 1.113 25125
15416 1 23 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.181 0.147 25125
15417 1 23 . 1 1 54 54 ASP H H 54 7.886 7.886 8.093 -0.207 25125
15418 1 23 . 1 1 55 55 ILE N N 55 121.229 121.229 117.436 3.793 25125
15419 1 23 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.782 0.403 25125
15420 1 23 . 1 1 55 55 ILE C C 55 175.084 175.084 174.431 0.653 25125
15421 1 23 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.060 -0.518 25125
15422 1 23 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.050 2.979 25125
15423 1 23 . 1 1 55 55 ILE H H 55 8.722 8.722 7.515 1.207 25125
15424 1 23 . 1 1 56 56 ARG N N 56 124.188 124.188 122.922 1.266 25125
15425 1 23 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.582 -0.077 25125
15426 1 23 . 1 1 56 56 ARG C C 56 175.661 175.661 175.034 0.627 25125
15427 1 23 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.644 -0.203 25125
15428 1 23 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.660 -1.298 25125
15429 1 23 . 1 1 56 56 ARG H H 56 8.499 8.499 8.641 -0.142 25125
15430 1 23 . 1 1 57 57 MET N N 57 122.581 122.581 118.713 3.868 25125
15431 1 23 . 1 1 57 57 MET HA H 57 4.821 4.821 5.068 -0.247 25125
15432 1 23 . 1 1 57 57 MET CA C 57 53.132 53.132 52.108 1.024 25125
15433 1 23 . 1 1 57 57 MET CB C 57 33.445 33.445 33.183 0.262 25125
15434 1 23 . 1 1 57 57 MET H H 57 7.956 7.956 7.991 -0.035 25125
15435 1 23 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.342 0.051 25125
15436 1 23 . 1 1 58 58 PRO C C 58 177.806 177.806 177.757 0.049 25125
15437 1 23 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.583 -1.084 25125
15438 1 23 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.879 -0.072 25125
15439 1 23 . 1 1 59 59 GLY N N 59 111.082 111.082 108.310 2.772 25125
15440 1 23 . 1 1 59 59 GLY C C 59 173.626 173.626 174.255 -0.629 25125
15441 1 23 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.116 0.474 25125
15442 1 23 . 1 1 59 59 GLY H H 59 8.653 8.653 8.288 0.365 25125
15443 1 23 . 1 1 60 60 MET N N 60 120.052 120.052 120.015 0.037 25125
15444 1 23 . 1 1 60 60 MET HA H 60 4.525 4.525 4.504 0.021 25125
15445 1 23 . 1 1 60 60 MET C C 60 173.956 173.956 175.474 -1.518 25125
15446 1 23 . 1 1 60 60 MET CA C 60 55.047 55.047 55.630 -0.583 25125
15447 1 23 . 1 1 60 60 MET CB C 60 34.506 34.506 33.881 0.625 25125
15448 1 23 . 1 1 60 60 MET H H 60 7.968 7.968 7.701 0.267 25125
15449 1 23 . 1 1 61 61 ASP N N 61 121.306 121.306 121.001 0.305 25125
15450 1 23 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.524 0.179 25125
15451 1 23 . 1 1 61 61 ASP C C 61 176.761 176.761 177.568 -0.807 25125
15452 1 23 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.659 -1.930 25125
15453 1 23 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.319 -0.250 25125
15454 1 23 . 1 1 61 61 ASP H H 61 8.379 8.379 8.763 -0.384 25125
15455 1 23 . 1 1 62 62 GLY N N 62 110.874 110.874 107.803 3.071 25125
15456 1 23 . 1 1 62 62 GLY C C 62 175.194 175.194 175.472 -0.278 25125
15457 1 23 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.075 1.026 25125
15458 1 23 . 1 1 62 62 GLY H H 62 8.707 8.707 7.979 0.728 25125
15459 1 23 . 1 1 63 63 LEU N N 63 121.299 121.299 120.069 1.230 25125
15460 1 23 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.377 -0.200 25125
15461 1 23 . 1 1 63 63 LEU C C 63 178.356 178.356 178.040 0.316 25125
15462 1 23 . 1 1 63 63 LEU CA C 63 56.878 56.878 56.297 0.581 25125
15463 1 23 . 1 1 63 63 LEU CB C 63 41.238 41.238 39.994 1.244 25125
15464 1 23 . 1 1 63 63 LEU H H 63 8.045 8.045 8.152 -0.107 25125
15465 1 23 . 1 1 64 64 ALA N N 64 122.741 122.741 124.088 -1.347 25125
15466 1 23 . 1 1 64 64 ALA HA H 64 4.062 4.062 3.985 0.077 25125
15467 1 23 . 1 1 64 64 ALA C C 64 180.556 180.556 179.035 1.521 25125
15468 1 23 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.131 -0.516 25125
15469 1 23 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.894 0.106 25125
15470 1 23 . 1 1 64 64 ALA H H 64 7.859 7.859 8.239 -0.380 25125
15471 1 23 . 1 1 65 65 LEU N N 65 120.287 120.287 114.605 5.682 25125
15472 1 23 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.381 -0.319 25125
15473 1 23 . 1 1 65 65 LEU C C 65 178.191 178.191 178.529 -0.338 25125
15474 1 23 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.777 1.242 25125
15475 1 23 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.883 -0.645 25125
15476 1 23 . 1 1 65 65 LEU H H 65 8.022 8.022 7.737 0.285 25125
15477 1 23 . 1 1 66 66 LEU N N 66 118.738 118.738 120.091 -1.353 25125
15478 1 23 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.168 -0.310 25125
15479 1 23 . 1 1 66 66 LEU C C 66 178.631 178.631 178.787 -0.156 25125
15480 1 23 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.575 1.770 25125
15481 1 23 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.929 0.309 25125
15482 1 23 . 1 1 66 66 LEU H H 66 8.101 8.101 7.702 0.399 25125
15483 1 23 . 1 1 67 67 LYS N N 67 117.842 117.842 117.434 0.408 25125
15484 1 23 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.114 -0.132 25125
15485 1 23 . 1 1 67 67 LYS C C 67 179.263 179.263 178.724 0.539 25125
15486 1 23 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.697 1.100 25125
15487 1 23 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.014 0.193 25125
15488 1 23 . 1 1 67 67 LYS H H 67 8.010 8.010 8.378 -0.368 25125
15489 1 23 . 1 1 68 68 GLN N N 68 118.875 118.875 117.997 0.878 25125
15490 1 23 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.275 -0.219 25125
15491 1 23 . 1 1 68 68 GLN C C 68 179.071 179.071 177.615 1.456 25125
15492 1 23 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.156 0.917 25125
15493 1 23 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.849 -0.238 25125
15494 1 23 . 1 1 68 68 GLN H H 68 7.809 7.809 7.528 0.281 25125
15495 1 23 . 1 1 69 69 ILE N N 69 120.377 120.377 121.198 -0.821 25125
15496 1 23 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.855 -0.325 25125
15497 1 23 . 1 1 69 69 ILE C C 69 177.421 177.421 178.024 -0.603 25125
15498 1 23 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.904 0.974 25125
15499 1 23 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.893 -0.309 25125
15500 1 23 . 1 1 69 69 ILE H H 69 8.481 8.481 7.574 0.907 25125
15501 1 23 . 1 1 70 70 LYS N N 70 117.873 117.873 117.908 -0.035 25125
15502 1 23 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.302 -0.342 25125
15503 1 23 . 1 1 70 70 LYS C C 70 178.053 178.053 177.759 0.294 25125
15504 1 23 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.653 -1.565 25125
15505 1 23 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.226 -1.014 25125
15506 1 23 . 1 1 70 70 LYS H H 70 8.220 8.220 8.045 0.175 25125
15507 1 23 . 1 1 71 71 GLN N N 71 116.315 116.315 117.036 -0.721 25125
15508 1 23 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.180 -0.188 25125
15509 1 23 . 1 1 71 71 GLN C C 71 177.366 177.366 177.840 -0.474 25125
15510 1 23 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.001 0.189 25125
15511 1 23 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.971 -0.306 25125
15512 1 23 . 1 1 71 71 GLN H H 71 7.601 7.601 7.407 0.194 25125
15513 1 23 . 1 1 72 72 ARG N N 72 116.530 116.530 116.991 -0.461 25125
15514 1 23 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.085 -0.055 25125
15515 1 23 . 1 1 72 72 ARG C C 72 175.826 175.826 175.754 0.072 25125
15516 1 23 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.125 0.097 25125
15517 1 23 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.606 0.196 25125
15518 1 23 . 1 1 72 72 ARG H H 72 7.301 7.301 8.270 -0.969 25125
15519 1 23 . 1 1 73 73 HIS N N 73 116.755 116.755 116.582 0.173 25125
15520 1 23 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.832 0.128 25125
15521 1 23 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.283 -0.065 25125
15522 1 23 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.413 0.149 25125
15523 1 23 . 1 1 73 73 HIS H H 73 8.331 8.331 7.676 0.655 25125
15524 1 23 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.476 0.023 25125
15525 1 23 . 1 1 74 74 PRO C C 74 178.466 178.466 177.397 1.069 25125
15526 1 23 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.927 0.186 25125
15527 1 23 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.367 -0.272 25125
15528 1 23 . 1 1 75 75 MET N N 75 114.814 114.814 116.366 -1.552 25125
15529 1 23 . 1 1 75 75 MET HA H 75 4.567 4.567 4.396 0.171 25125
15530 1 23 . 1 1 75 75 MET C C 75 176.046 176.046 175.657 0.389 25125
15531 1 23 . 1 1 75 75 MET CA C 75 54.266 54.266 55.721 -1.455 25125
15532 1 23 . 1 1 75 75 MET CB C 75 31.288 31.288 32.682 -1.394 25125
15533 1 23 . 1 1 75 75 MET H H 75 8.623 8.623 7.804 0.819 25125
15534 1 23 . 1 1 76 76 LEU N N 76 125.533 125.533 122.085 3.448 25125
15535 1 23 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.682 -0.377 25125
15536 1 23 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.177 1.935 25125
15537 1 23 . 1 1 76 76 LEU CB C 76 43.685 43.685 42.706 0.979 25125
15538 1 23 . 1 1 76 76 LEU H H 76 7.337 7.337 7.086 0.251 25125
15539 1 23 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.521 -0.075 25125
15540 1 23 . 1 1 77 77 PRO C C 77 174.974 174.974 175.217 -0.243 25125
15541 1 23 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.614 0.213 25125
15542 1 23 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.398 -0.675 25125
15543 1 23 . 1 1 78 78 VAL N N 78 123.779 123.779 120.725 3.054 25125
15544 1 23 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.499 0.525 25125
15545 1 23 . 1 1 78 78 VAL C C 78 175.441 175.441 175.257 0.184 25125
15546 1 23 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.679 -0.486 25125
15547 1 23 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.020 -1.726 25125
15548 1 23 . 1 1 78 78 VAL H H 78 8.317 8.317 8.146 0.171 25125
15549 1 23 . 1 1 79 79 ILE N N 79 128.334 128.334 121.390 6.944 25125
15550 1 23 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.786 -0.305 25125
15551 1 23 . 1 1 79 79 ILE C C 79 174.479 174.479 174.845 -0.366 25125
15552 1 23 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.051 -0.529 25125
15553 1 23 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.206 -2.243 25125
15554 1 23 . 1 1 79 79 ILE H H 79 9.292 9.292 8.357 0.935 25125
15555 1 23 . 1 1 80 80 ILE N N 80 127.023 127.023 124.965 2.058 25125
15556 1 23 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.458 0.401 25125
15557 1 23 . 1 1 80 80 ILE C C 80 175.029 175.029 174.979 0.050 25125
15558 1 23 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.666 -1.509 25125
15559 1 23 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.423 -1.479 25125
15560 1 23 . 1 1 80 80 ILE H H 80 7.938 7.938 8.818 -0.880 25125
15561 1 23 . 1 1 81 81 MET N N 81 127.255 127.255 126.010 1.245 25125
15562 1 23 . 1 1 81 81 MET HA H 81 5.521 5.521 5.599 -0.078 25125
15563 1 23 . 1 1 81 81 MET C C 81 174.534 174.534 175.423 -0.889 25125
15564 1 23 . 1 1 81 81 MET CA C 81 53.513 53.513 55.026 -1.513 25125
15565 1 23 . 1 1 81 81 MET CB C 81 35.483 35.483 34.908 0.575 25125
15566 1 23 . 1 1 81 81 MET H H 81 8.801 8.801 8.742 0.059 25125
15567 1 23 . 1 1 82 82 THR N N 82 112.857 112.857 118.005 -5.148 25125
15568 1 23 . 1 1 82 82 THR HA H 82 4.914 4.914 4.536 0.378 25125
15569 1 23 . 1 1 82 82 THR C C 82 172.581 172.581 172.813 -0.232 25125
15570 1 23 . 1 1 82 82 THR CA C 82 59.561 59.561 63.481 -3.920 25125
15571 1 23 . 1 1 82 82 THR CB C 82 69.989 69.989 70.029 -0.040 25125
15572 1 23 . 1 1 82 82 THR H H 82 7.623 7.623 8.018 -0.395 25125
15573 1 23 . 1 1 83 83 ALA N N 83 129.541 129.541 125.846 3.695 25125
15574 1 23 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.989 0.719 25125
15575 1 23 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.783 -1.245 25125
15576 1 23 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.794 2.353 25125
15577 1 23 . 1 1 83 83 ALA H H 83 9.149 9.149 8.289 0.860 25125
15578 1 23 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.551 -0.279 25125
15579 1 23 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.937 3.763 25125
15580 1 23 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.972 -0.954 25125
15581 1 23 . 1 1 85 85 SER N N 85 112.633 112.633 114.202 -1.569 25125
15582 1 23 . 1 1 85 85 SER HA H 85 4.198 4.198 4.463 -0.265 25125
15583 1 23 . 1 1 85 85 SER C C 85 174.506 174.506 173.396 1.110 25125
15584 1 23 . 1 1 85 85 SER CA C 85 59.823 59.823 58.661 1.162 25125
15585 1 23 . 1 1 85 85 SER CB C 85 62.693 62.693 63.768 -1.075 25125
15586 1 23 . 1 1 85 85 SER H H 85 8.224 8.224 7.294 0.930 25125
15587 1 23 . 1 1 86 86 ASP N N 86 120.886 120.886 120.823 0.063 25125
15588 1 23 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.590 0.346 25125
15589 1 23 . 1 1 86 86 ASP C C 86 175.881 175.881 176.030 -0.149 25125
15590 1 23 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.129 -1.195 25125
15591 1 23 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.825 0.178 25125
15592 1 23 . 1 1 86 86 ASP H H 86 7.608 7.608 8.064 -0.456 25125
15593 1 23 . 1 1 87 87 LEU N N 87 121.913 121.913 120.759 1.154 25125
15594 1 23 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.526 0.393 25125
15595 1 23 . 1 1 87 87 LEU C C 87 177.586 177.586 177.581 0.005 25125
15596 1 23 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.860 -1.023 25125
15597 1 23 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.499 0.816 25125
15598 1 23 . 1 1 87 87 LEU H H 87 7.498 7.498 8.098 -0.600 25125
15599 1 23 . 1 1 88 88 ASP N N 88 117.621 117.621 117.548 0.073 25125
15600 1 23 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.177 0.095 25125
15601 1 23 . 1 1 88 88 ASP C C 88 178.246 178.246 177.332 0.914 25125
15602 1 23 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.318 -0.508 25125
15603 1 23 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.430 -0.296 25125
15604 1 23 . 1 1 88 88 ASP H H 88 8.322 8.322 8.451 -0.129 25125
15605 1 23 . 1 1 89 89 ALA N N 89 122.874 122.874 121.435 1.439 25125
15606 1 23 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.313 -0.219 25125
15607 1 23 . 1 1 89 89 ALA C C 89 179.346 179.346 179.441 -0.095 25125
15608 1 23 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.097 0.056 25125
15609 1 23 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.911 -0.650 25125
15610 1 23 . 1 1 89 89 ALA H H 89 7.838 7.838 7.427 0.411 25125
15611 1 23 . 1 1 90 90 ALA N N 90 121.673 121.673 121.608 0.065 25125
15612 1 23 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.105 -0.172 25125
15613 1 23 . 1 1 90 90 ALA C C 90 178.686 178.686 179.723 -1.037 25125
15614 1 23 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.734 -0.071 25125
15615 1 23 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.002 0.380 25125
15616 1 23 . 1 1 90 90 ALA H H 90 7.896 7.896 8.361 -0.465 25125
15617 1 23 . 1 1 91 91 VAL N N 91 117.749 117.749 118.457 -0.708 25125
15618 1 23 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.924 -0.312 25125
15619 1 23 . 1 1 91 91 VAL C C 91 178.411 178.411 178.384 0.027 25125
15620 1 23 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.708 -1.527 25125
15621 1 23 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.943 -0.306 25125
15622 1 23 . 1 1 91 91 VAL H H 91 8.098 8.098 8.416 -0.318 25125
15623 1 23 . 1 1 92 92 SER N N 92 114.942 114.942 113.190 1.752 25125
15624 1 23 . 1 1 92 92 SER HA H 92 4.231 4.231 4.395 -0.164 25125
15625 1 23 . 1 1 92 92 SER C C 92 175.826 175.826 174.672 1.154 25125
15626 1 23 . 1 1 92 92 SER CA C 92 60.649 60.649 60.183 0.466 25125
15627 1 23 . 1 1 92 92 SER CB C 92 63.063 63.063 63.706 -0.643 25125
15628 1 23 . 1 1 92 92 SER H H 92 7.825 7.825 7.908 -0.083 25125
15629 1 23 . 1 1 93 93 ALA N N 93 122.580 122.580 122.741 -0.161 25125
15630 1 23 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.397 -0.340 25125
15631 1 23 . 1 1 93 93 ALA C C 93 178.906 178.906 179.220 -0.314 25125
15632 1 23 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.188 0.129 25125
15633 1 23 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.890 -0.593 25125
15634 1 23 . 1 1 93 93 ALA H H 93 7.861 7.861 8.140 -0.279 25125
15635 1 23 . 1 1 94 94 TYR N N 94 118.447 118.447 121.673 -3.226 25125
15636 1 23 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.196 0.296 25125
15637 1 23 . 1 1 94 94 TYR C C 94 177.393 177.393 177.167 0.226 25125
15638 1 23 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.644 -1.393 25125
15639 1 23 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.558 -0.124 25125
15640 1 23 . 1 1 94 94 TYR H H 94 8.150 8.150 7.806 0.344 25125
15641 1 23 . 1 1 95 95 GLN N N 95 119.787 119.787 116.210 3.577 25125
15642 1 23 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.019 0.024 25125
15643 1 23 . 1 1 95 95 GLN C C 95 176.981 176.981 177.823 -0.842 25125
15644 1 23 . 1 1 95 95 GLN CA C 95 57.466 57.466 57.050 0.416 25125
15645 1 23 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.504 0.585 25125
15646 1 23 . 1 1 95 95 GLN H H 95 8.271 8.271 7.985 0.286 25125
15647 1 23 . 1 1 96 96 GLN N N 96 117.878 117.878 120.746 -2.868 25125
15648 1 23 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.280 0.065 25125
15649 1 23 . 1 1 96 96 GLN C C 96 175.854 175.854 176.036 -0.182 25125
15650 1 23 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.985 0.186 25125
15651 1 23 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.471 1.004 25125
15652 1 23 . 1 1 96 96 GLN H H 96 7.944 7.944 8.100 -0.156 25125
15653 1 23 . 1 1 97 97 GLY N N 97 106.670 106.670 106.001 0.669 25125
15654 1 23 . 1 1 97 97 GLY C C 97 174.231 174.231 172.948 1.283 25125
15655 1 23 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.808 0.678 25125
15656 1 23 . 1 1 97 97 GLY H H 97 7.949 7.949 7.578 0.371 25125
15657 1 23 . 1 1 98 98 ALA N N 98 122.898 122.898 120.289 2.609 25125
15658 1 23 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.448 -0.073 25125
15659 1 23 . 1 1 98 98 ALA C C 98 175.991 175.991 175.300 0.691 25125
15660 1 23 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.083 2.085 25125
15661 1 23 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.573 -1.604 25125
15662 1 23 . 1 1 98 98 ALA H H 98 7.808 7.808 7.129 0.679 25125
15663 1 23 . 1 1 99 99 PHE N N 99 123.484 123.484 118.460 5.024 25125
15664 1 23 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.499 -0.149 25125
15665 1 23 . 1 1 99 99 PHE CA C 99 59.456 59.456 56.995 2.461 25125
15666 1 23 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.499 -1.059 25125
15667 1 23 . 1 1 99 99 PHE H H 99 7.704 7.704 8.095 -0.391 25125
15668 1 23 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.846 0.658 25125
15669 1 23 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.401 -1.919 25125
15670 1 23 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.243 3.957 25125
15671 1 23 . 1 1 101 101 TYR N N 101 118.148 118.148 120.836 -2.688 25125
15672 1 23 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.430 1.018 25125
15673 1 23 . 1 1 101 101 TYR C C 101 173.159 173.159 174.255 -1.096 25125
15674 1 23 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.907 -0.920 25125
15675 1 23 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.929 2.969 25125
15676 1 23 . 1 1 101 101 TYR H H 101 9.546 9.546 7.342 2.204 25125
15677 1 23 . 1 1 102 102 LEU N N 102 124.100 124.100 119.961 4.139 25125
15678 1 23 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.100 -0.380 25125
15679 1 23 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.350 -0.851 25125
15680 1 23 . 1 1 102 102 LEU CB C 102 45.061 45.061 46.000 -0.939 25125
15681 1 23 . 1 1 102 102 LEU H H 102 8.901 8.901 8.899 0.002 25125
15682 1 23 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.676 0.217 25125
15683 1 23 . 1 1 103 103 PRO C C 103 175.524 175.524 175.775 -0.251 25125
15684 1 23 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.306 -0.421 25125
15685 1 23 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.294 -0.487 25125
15686 1 23 . 1 1 104 104 LYS N N 104 118.848 118.848 120.477 -1.629 25125
15687 1 23 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.883 -0.370 25125
15688 1 23 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.930 -0.712 25125
15689 1 23 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.341 1.403 25125
15690 1 23 . 1 1 104 104 LYS H H 104 8.279 8.279 8.030 0.249 25125
15691 1 23 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.445 -0.146 25125
15692 1 23 . 1 1 105 105 PRO C C 105 175.001 175.001 175.448 -0.447 25125
15693 1 23 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.736 -0.342 25125
15694 1 23 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.195 1.900 25125
15695 1 23 . 1 1 106 106 PHE N N 106 116.607 116.607 114.869 1.738 25125
15696 1 23 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.842 0.328 25125
15697 1 23 . 1 1 106 106 PHE C C 106 175.221 175.221 174.475 0.746 25125
15698 1 23 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.336 -1.901 25125
15699 1 23 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.491 -0.091 25125
15700 1 23 . 1 1 106 106 PHE H H 106 7.457 7.457 7.303 0.154 25125
15701 1 23 . 1 1 107 107 ASP N N 107 122.214 122.214 122.727 -0.513 25125
15702 1 23 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.910 -0.078 25125
15703 1 23 . 1 1 107 107 ASP C C 107 177.778 177.778 177.420 0.358 25125
15704 1 23 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.731 -0.489 25125
15705 1 23 . 1 1 107 107 ASP CB C 107 42.597 42.597 40.779 1.819 25125
15706 1 23 . 1 1 107 107 ASP H H 107 9.022 9.022 8.765 0.257 25125
15707 1 23 . 1 1 108 108 ILE N N 108 127.706 127.706 125.468 2.238 25125
15708 1 23 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.697 0.268 25125
15709 1 23 . 1 1 108 108 ILE C C 108 176.046 176.046 177.480 -1.434 25125
15710 1 23 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.150 -2.161 25125
15711 1 23 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.034 -0.280 25125
15712 1 23 . 1 1 108 108 ILE H H 108 8.860 8.860 8.638 0.222 25125
15713 1 23 . 1 1 109 109 ASP N N 109 120.058 120.058 119.056 1.002 25125
15714 1 23 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.368 0.020 25125
15715 1 23 . 1 1 109 109 ASP C C 109 179.786 179.786 178.948 0.838 25125
15716 1 23 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.744 -0.250 25125
15717 1 23 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.436 -0.382 25125
15718 1 23 . 1 1 109 109 ASP H H 109 8.079 8.079 8.609 -0.530 25125
15719 1 23 . 1 1 110 110 GLU N N 110 121.559 121.559 119.497 2.062 25125
15720 1 23 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.203 -0.135 25125
15721 1 23 . 1 1 110 110 GLU C C 110 179.043 179.043 178.488 0.555 25125
15722 1 23 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.590 0.236 25125
15723 1 23 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.895 -0.552 25125
15724 1 23 . 1 1 110 110 GLU H H 110 8.012 8.012 7.973 0.039 25125
15725 1 23 . 1 1 111 111 ALA N N 111 122.267 122.267 123.371 -1.104 25125
15726 1 23 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.023 -0.269 25125
15727 1 23 . 1 1 111 111 ALA C C 111 178.493 178.493 179.365 -0.872 25125
15728 1 23 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.259 -0.087 25125
15729 1 23 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.267 0.115 25125
15730 1 23 . 1 1 111 111 ALA H H 111 7.897 7.897 8.311 -0.414 25125
15731 1 23 . 1 1 112 112 VAL N N 112 116.527 116.527 117.956 -1.429 25125
15732 1 23 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.499 -0.332 25125
15733 1 23 . 1 1 112 112 VAL C C 112 177.201 177.201 177.724 -0.523 25125
15734 1 23 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.457 0.688 25125
15735 1 23 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.615 -0.063 25125
15736 1 23 . 1 1 112 112 VAL H H 112 8.018 8.018 8.363 -0.345 25125
15737 1 23 . 1 1 113 113 ALA N N 113 119.895 119.895 120.695 -0.800 25125
15738 1 23 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.245 -0.107 25125
15739 1 23 . 1 1 113 113 ALA CA C 113 54.832 54.832 53.859 0.973 25125
15740 1 23 . 1 1 113 113 ALA CB C 113 17.872 17.872 19.003 -1.131 25125
15741 1 23 . 1 1 113 113 ALA H H 113 7.673 7.673 7.463 0.210 25125
15742 1 23 . 1 1 114 114 LEU N N 114 120.650 120.650 120.530 0.120 25125
15743 1 23 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.112 -0.029 25125
15744 1 23 . 1 1 114 114 LEU C C 114 178.466 178.466 178.481 -0.015 25125
15745 1 23 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.647 0.373 25125
15746 1 23 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.099 -0.266 25125
15747 1 23 . 1 1 114 114 LEU H H 114 7.840 7.840 7.729 0.111 25125
15748 1 23 . 1 1 115 115 VAL N N 115 119.480 119.480 118.400 1.080 25125
15749 1 23 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.462 -0.250 25125
15750 1 23 . 1 1 115 115 VAL C C 115 177.448 177.448 177.056 0.392 25125
15751 1 23 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.914 1.287 25125
15752 1 23 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.931 -1.259 25125
15753 1 23 . 1 1 115 115 VAL H H 115 7.824 7.824 7.988 -0.164 25125
15754 1 23 . 1 1 116 116 GLU N N 116 117.473 117.473 118.996 -1.523 25125
15755 1 23 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.956 -0.167 25125
15756 1 23 . 1 1 116 116 GLU C C 116 179.566 179.566 178.487 1.079 25125
15757 1 23 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.317 0.613 25125
15758 1 23 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.383 -0.287 25125
15759 1 23 . 1 1 116 116 GLU H H 116 8.465 8.465 7.687 0.778 25125
15760 1 23 . 1 1 117 117 ARG N N 117 120.128 120.128 119.054 1.074 25125
15761 1 23 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.095 -0.031 25125
15762 1 23 . 1 1 117 117 ARG C C 117 178.438 178.438 177.213 1.225 25125
15763 1 23 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.665 0.613 25125
15764 1 23 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.984 0.293 25125
15765 1 23 . 1 1 117 117 ARG H H 117 8.012 8.012 7.388 0.624 25125
15766 1 23 . 1 1 118 118 ALA N N 118 122.270 122.270 120.188 2.082 25125
15767 1 23 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.945 -0.489 25125
15768 1 23 . 1 1 118 118 ALA C C 118 178.741 178.741 178.403 0.338 25125
15769 1 23 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.763 0.815 25125
15770 1 23 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.832 -0.674 25125
15771 1 23 . 1 1 118 118 ALA H H 118 7.958 7.958 7.161 0.797 25125
15772 1 23 . 1 1 119 119 ILE N N 119 115.269 115.269 117.490 -2.221 25125
15773 1 23 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.244 -0.516 25125
15774 1 23 . 1 1 119 119 ILE C C 119 177.366 177.366 178.288 -0.922 25125
15775 1 23 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.075 -0.406 25125
15776 1 23 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.658 -0.860 25125
15777 1 23 . 1 1 119 119 ILE H H 119 7.753 7.753 7.379 0.374 25125
15778 1 23 . 1 1 120 120 SER N N 120 115.135 115.135 115.415 -0.280 25125
15779 1 23 . 1 1 120 120 SER HA H 120 4.275 4.275 4.071 0.204 25125
15780 1 23 . 1 1 120 120 SER C C 120 175.084 175.084 175.734 -0.650 25125
15781 1 23 . 1 1 120 120 SER CA C 120 59.816 59.816 61.290 -1.474 25125
15782 1 23 . 1 1 120 120 SER CB C 120 63.380 63.380 62.796 0.584 25125
15783 1 23 . 1 1 120 120 SER H H 120 7.816 7.816 8.193 -0.377 25125
15784 1 23 . 1 1 121 121 HIS N N 121 119.908 119.908 119.452 0.456 25125
15785 1 23 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.149 0.273 25125
15786 1 23 . 1 1 121 121 HIS C C 121 175.029 175.029 176.818 -1.789 25125
15787 1 23 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.834 -1.598 25125
15788 1 23 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.643 -0.215 25125
15789 1 23 . 1 1 121 121 HIS H H 121 7.910 7.910 7.780 0.130 25125
15790 1 23 . 1 1 122 122 TYR N N 122 118.880 118.880 117.273 1.607 25125
15791 1 23 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.565 -0.139 25125
15792 1 23 . 1 1 122 122 TYR C C 122 175.276 175.276 176.850 -1.574 25125
15793 1 23 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.312 -0.863 25125
15794 1 23 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.243 -0.639 25125
15795 1 23 . 1 1 122 122 TYR H H 122 7.766 7.766 7.579 0.187 25125
15796 1 23 . 1 1 123 123 GLN N N 123 121.479 121.479 118.227 3.252 25125
15797 1 23 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.466 -0.196 25125
15798 1 23 . 1 1 123 123 GLN C C 123 174.534 174.534 175.545 -1.011 25125
15799 1 23 . 1 1 123 123 GLN CA C 123 55.512 55.512 54.875 0.637 25125
15800 1 23 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.269 1.499 25125
15801 1 23 . 1 1 123 123 GLN H H 123 7.878 7.878 7.624 0.254 25125
15802 1 24 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.614 -0.181 25125
15803 1 24 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.282 0.282 25125
15804 1 24 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.814 2.786 25125
15805 1 24 . 1 1 3 3 ARG N N 3 121.252 121.252 119.780 1.472 25125
15806 1 24 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.155 0.210 25125
15807 1 24 . 1 1 3 3 ARG C C 3 175.634 175.634 175.924 -0.290 25125
15808 1 24 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.834 -0.843 25125
15809 1 24 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.214 1.083 25125
15810 1 24 . 1 1 3 3 ARG H H 3 8.429 8.429 7.602 0.827 25125
15811 1 24 . 1 1 4 4 GLY N N 4 107.663 107.663 108.441 -0.778 25125
15812 1 24 . 1 1 4 4 GLY C C 4 171.041 171.041 173.193 -2.152 25125
15813 1 24 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.341 0.975 25125
15814 1 24 . 1 1 4 4 GLY H H 4 7.963 7.963 7.701 0.262 25125
15815 1 24 . 1 1 5 5 ILE N N 5 122.603 122.603 124.859 -2.256 25125
15816 1 24 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.041 0.658 25125
15817 1 24 . 1 1 5 5 ILE C C 5 175.359 175.359 175.234 0.125 25125
15818 1 24 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.785 -1.175 25125
15819 1 24 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.431 0.145 25125
15820 1 24 . 1 1 5 5 ILE H H 5 9.610 9.610 8.267 1.343 25125
15821 1 24 . 1 1 6 6 VAL N N 6 127.905 127.905 124.580 3.325 25125
15822 1 24 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.974 -0.162 25125
15823 1 24 . 1 1 6 6 VAL C C 6 174.204 174.204 175.776 -1.572 25125
15824 1 24 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.627 -1.069 25125
15825 1 24 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.636 0.890 25125
15826 1 24 . 1 1 6 6 VAL H H 6 9.090 9.090 8.171 0.919 25125
15827 1 24 . 1 1 7 7 TRP N N 7 127.467 127.467 128.981 -1.514 25125
15828 1 24 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.090 1.364 25125
15829 1 24 . 1 1 7 7 TRP C C 7 175.056 175.056 175.180 -0.124 25125
15830 1 24 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.839 -1.961 25125
15831 1 24 . 1 1 7 7 TRP CB C 7 33.134 33.134 30.377 2.757 25125
15832 1 24 . 1 1 7 7 TRP H H 7 8.497 8.497 8.533 -0.036 25125
15833 1 24 . 1 1 8 8 VAL N N 8 122.068 122.068 123.141 -1.073 25125
15834 1 24 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.703 0.383 25125
15835 1 24 . 1 1 8 8 VAL C C 8 173.874 173.874 174.974 -1.100 25125
15836 1 24 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.815 -0.329 25125
15837 1 24 . 1 1 8 8 VAL CB C 8 35.715 35.715 33.954 1.761 25125
15838 1 24 . 1 1 8 8 VAL H H 8 8.583 8.583 8.574 0.009 25125
15839 1 24 . 1 1 9 9 VAL N N 9 127.733 127.733 123.607 4.126 25125
15840 1 24 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.414 0.547 25125
15841 1 24 . 1 1 9 9 VAL C C 9 173.131 173.131 173.394 -0.263 25125
15842 1 24 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.566 -0.891 25125
15843 1 24 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.250 -1.339 25125
15844 1 24 . 1 1 9 9 VAL H H 9 9.107 9.107 7.828 1.279 25125
15845 1 24 . 1 1 10 10 ASP N N 10 124.306 124.306 125.344 -1.038 25125
15846 1 24 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.805 -0.236 25125
15847 1 24 . 1 1 10 10 ASP C C 10 175.029 175.029 174.609 0.420 25125
15848 1 24 . 1 1 10 10 ASP CA C 10 54.747 54.747 55.696 -0.949 25125
15849 1 24 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.079 2.030 25125
15850 1 24 . 1 1 10 10 ASP H H 10 7.775 7.775 8.291 -0.516 25125
15851 1 24 . 1 1 11 11 ASP N N 11 126.714 126.714 116.421 10.293 25125
15852 1 24 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.677 -0.142 25125
15853 1 24 . 1 1 11 11 ASP C C 11 175.689 175.689 174.466 1.223 25125
15854 1 24 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.521 1.197 25125
15855 1 24 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.931 0.143 25125
15856 1 24 . 1 1 11 11 ASP H H 11 9.033 9.033 8.283 0.750 25125
15857 1 24 . 1 1 12 12 ASP N N 12 121.877 121.877 121.446 0.431 25125
15858 1 24 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.936 -0.290 25125
15859 1 24 . 1 1 12 12 ASP C C 12 177.036 177.036 177.288 -0.252 25125
15860 1 24 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.620 -0.317 25125
15861 1 24 . 1 1 12 12 ASP CB C 12 41.164 41.164 42.840 -1.676 25125
15862 1 24 . 1 1 12 12 ASP H H 12 9.570 9.570 7.969 1.601 25125
15863 1 24 . 1 1 13 13 SER N N 13 123.799 123.799 118.895 4.904 25125
15864 1 24 . 1 1 13 13 SER HA H 13 3.761 3.761 4.290 -0.529 25125
15865 1 24 . 1 1 13 13 SER C C 13 176.156 176.156 175.897 0.259 25125
15866 1 24 . 1 1 13 13 SER CA C 13 61.186 61.186 61.884 -0.698 25125
15867 1 24 . 1 1 13 13 SER CB C 13 62.749 62.749 63.246 -0.497 25125
15868 1 24 . 1 1 13 13 SER H H 13 8.850 8.850 8.805 0.045 25125
15869 1 24 . 1 1 14 14 SER N N 14 119.123 119.123 117.968 1.155 25125
15870 1 24 . 1 1 14 14 SER HA H 14 4.361 4.361 4.385 -0.024 25125
15871 1 24 . 1 1 14 14 SER C C 14 176.404 176.404 176.838 -0.434 25125
15872 1 24 . 1 1 14 14 SER CA C 14 61.730 61.730 61.231 0.499 25125
15873 1 24 . 1 1 14 14 SER CB C 14 62.548 62.548 62.366 0.182 25125
15874 1 24 . 1 1 14 14 SER H H 14 8.531 8.531 8.693 -0.162 25125
15875 1 24 . 1 1 15 15 ILE N N 15 123.637 123.637 121.037 2.600 25125
15876 1 24 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.964 -0.019 25125
15877 1 24 . 1 1 15 15 ILE C C 15 177.861 177.861 177.767 0.094 25125
15878 1 24 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.830 -1.630 25125
15879 1 24 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.205 -1.319 25125
15880 1 24 . 1 1 15 15 ILE H H 15 7.206 7.206 8.151 -0.945 25125
15881 1 24 . 1 1 16 16 ARG N N 16 116.694 116.694 119.149 -2.455 25125
15882 1 24 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.236 -0.513 25125
15883 1 24 . 1 1 16 16 ARG C C 16 177.448 177.448 178.316 -0.868 25125
15884 1 24 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.822 2.751 25125
15885 1 24 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.720 0.727 25125
15886 1 24 . 1 1 16 16 ARG H H 16 7.562 7.562 7.370 0.192 25125
15887 1 24 . 1 1 17 17 TRP N N 17 116.848 116.848 123.161 -6.313 25125
15888 1 24 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.334 0.137 25125
15889 1 24 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.691 -1.251 25125
15890 1 24 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.771 -0.479 25125
15891 1 24 . 1 1 17 17 TRP H H 17 8.005 8.005 8.724 -0.719 25125
15892 1 24 . 1 1 18 18 VAL N N 18 116.964 116.964 116.235 0.729 25125
15893 1 24 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.833 0.842 25125
15894 1 24 . 1 1 18 18 VAL C C 18 179.181 179.181 177.704 1.477 25125
15895 1 24 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.509 0.199 25125
15896 1 24 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.569 1.068 25125
15897 1 24 . 1 1 18 18 VAL H H 18 8.110 8.110 7.754 0.356 25125
15898 1 24 . 1 1 19 19 LEU N N 19 120.186 120.186 119.316 0.870 25125
15899 1 24 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.191 -0.116 25125
15900 1 24 . 1 1 19 19 LEU C C 19 177.778 177.778 178.978 -1.200 25125
15901 1 24 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.043 0.779 25125
15902 1 24 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.657 0.124 25125
15903 1 24 . 1 1 19 19 LEU H H 19 8.073 8.073 7.327 0.746 25125
15904 1 24 . 1 1 20 20 GLU N N 20 120.193 120.193 120.227 -0.034 25125
15905 1 24 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.106 -0.165 25125
15906 1 24 . 1 1 20 20 GLU C C 20 178.603 178.603 179.041 -0.438 25125
15907 1 24 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.273 1.337 25125
15908 1 24 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.799 -0.711 25125
15909 1 24 . 1 1 20 20 GLU H H 20 8.387 8.387 8.059 0.328 25125
15910 1 24 . 1 1 21 21 ARG N N 21 116.076 116.076 117.291 -1.215 25125
15911 1 24 . 1 1 21 21 ARG HA H 21 3.893 3.893 4.150 -0.257 25125
15912 1 24 . 1 1 21 21 ARG C C 21 179.676 179.676 177.971 1.705 25125
15913 1 24 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.205 0.244 25125
15914 1 24 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.354 0.499 25125
15915 1 24 . 1 1 21 21 ARG H H 21 7.602 7.602 8.391 -0.789 25125
15916 1 24 . 1 1 22 22 ALA N N 22 122.405 122.405 123.087 -0.682 25125
15917 1 24 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.007 0.090 25125
15918 1 24 . 1 1 22 22 ALA C C 22 180.501 180.501 179.485 1.016 25125
15919 1 24 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.755 -0.177 25125
15920 1 24 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.156 1.076 25125
15921 1 24 . 1 1 22 22 ALA H H 22 7.992 7.992 7.390 0.602 25125
15922 1 24 . 1 1 23 23 LEU N N 23 118.026 118.026 116.639 1.387 25125
15923 1 24 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.064 -0.063 25125
15924 1 24 . 1 1 23 23 LEU C C 23 178.878 178.878 178.741 0.137 25125
15925 1 24 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.410 1.311 25125
15926 1 24 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.706 -2.051 25125
15927 1 24 . 1 1 23 23 LEU H H 23 8.825 8.825 7.546 1.279 25125
15928 1 24 . 1 1 24 24 ALA N N 24 122.159 122.159 122.111 0.048 25125
15929 1 24 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.002 0.631 25125
15930 1 24 . 1 1 24 24 ALA C C 24 183.141 183.141 179.219 3.922 25125
15931 1 24 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.627 0.120 25125
15932 1 24 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.278 -0.576 25125
15933 1 24 . 1 1 24 24 ALA H H 24 8.125 8.125 7.395 0.730 25125
15934 1 24 . 1 1 25 25 GLY N N 25 106.891 106.891 104.402 2.489 25125
15935 1 24 . 1 1 25 25 GLY C C 25 174.286 174.286 174.508 -0.222 25125
15936 1 24 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.282 1.139 25125
15937 1 24 . 1 1 25 25 GLY H H 25 7.870 7.870 7.869 0.001 25125
15938 1 24 . 1 1 26 26 ALA N N 26 121.819 121.819 123.649 -1.830 25125
15939 1 24 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.577 -0.078 25125
15940 1 24 . 1 1 26 26 ALA C C 26 176.953 176.953 177.604 -0.651 25125
15941 1 24 . 1 1 26 26 ALA CA C 26 51.519 51.519 52.684 -1.165 25125
15942 1 24 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.082 -1.360 25125
15943 1 24 . 1 1 26 26 ALA H H 26 7.285 7.285 7.632 -0.347 25125
15944 1 24 . 1 1 27 27 GLY N N 27 106.197 106.197 105.700 0.497 25125
15945 1 24 . 1 1 27 27 GLY C C 27 173.956 173.956 172.497 1.459 25125
15946 1 24 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.333 -0.017 25125
15947 1 24 . 1 1 27 27 GLY H H 27 7.824 7.824 7.934 -0.110 25125
15948 1 24 . 1 1 28 28 LEU N N 28 120.291 120.291 118.888 1.403 25125
15949 1 24 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.757 -0.182 25125
15950 1 24 . 1 1 28 28 LEU C C 28 175.881 175.881 175.982 -0.101 25125
15951 1 24 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.328 0.315 25125
15952 1 24 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.320 -1.835 25125
15953 1 24 . 1 1 28 28 LEU H H 28 7.678 7.678 7.444 0.234 25125
15954 1 24 . 1 1 29 29 THR N N 29 118.040 118.040 115.614 2.426 25125
15955 1 24 . 1 1 29 29 THR HA H 29 4.335 4.335 4.383 -0.048 25125
15956 1 24 . 1 1 29 29 THR C C 29 173.186 173.186 173.834 -0.648 25125
15957 1 24 . 1 1 29 29 THR CA C 29 62.479 62.479 63.618 -1.139 25125
15958 1 24 . 1 1 29 29 THR CB C 29 69.465 69.465 69.568 -0.103 25125
15959 1 24 . 1 1 29 29 THR H H 29 8.527 8.527 8.592 -0.065 25125
15960 1 24 . 1 1 30 30 CYS N N 30 128.387 128.387 122.072 6.315 25125
15961 1 24 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.618 0.325 25125
15962 1 24 . 1 1 30 30 CYS C C 30 173.846 173.846 174.098 -0.252 25125
15963 1 24 . 1 1 30 30 CYS CA C 30 56.362 56.362 57.499 -1.137 25125
15964 1 24 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.045 -1.565 25125
15965 1 24 . 1 1 30 30 CYS H H 30 8.968 8.968 8.825 0.143 25125
15966 1 24 . 1 1 31 31 THR N N 31 126.481 126.481 124.602 1.879 25125
15967 1 24 . 1 1 31 31 THR HA H 31 4.433 4.433 4.499 -0.066 25125
15968 1 24 . 1 1 31 31 THR C C 31 172.609 172.609 173.085 -0.476 25125
15969 1 24 . 1 1 31 31 THR CA C 31 61.951 61.951 61.666 0.285 25125
15970 1 24 . 1 1 31 31 THR CB C 31 70.567 70.567 70.322 0.245 25125
15971 1 24 . 1 1 31 31 THR H H 31 8.614 8.614 8.428 0.186 25125
15972 1 24 . 1 1 32 32 THR N N 32 116.418 116.418 118.444 -2.026 25125
15973 1 24 . 1 1 32 32 THR HA H 32 5.330 5.330 5.195 0.135 25125
15974 1 24 . 1 1 32 32 THR C C 32 172.306 172.306 173.497 -1.191 25125
15975 1 24 . 1 1 32 32 THR CA C 32 59.173 59.173 60.248 -1.075 25125
15976 1 24 . 1 1 32 32 THR CB C 32 70.917 70.917 69.987 0.929 25125
15977 1 24 . 1 1 32 32 THR H H 32 8.299 8.299 8.311 -0.012 25125
15978 1 24 . 1 1 33 33 PHE N N 33 118.067 118.067 127.594 -9.527 25125
15979 1 24 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.584 0.059 25125
15980 1 24 . 1 1 33 33 PHE C C 33 174.341 174.341 176.393 -2.052 25125
15981 1 24 . 1 1 33 33 PHE CA C 33 56.532 56.532 58.246 -1.714 25125
15982 1 24 . 1 1 33 33 PHE CB C 33 43.309 43.309 39.901 3.408 25125
15983 1 24 . 1 1 33 33 PHE H H 33 8.890 8.890 8.475 0.415 25125
15984 1 24 . 1 1 34 34 GLU N N 34 118.499 118.499 112.004 6.495 25125
15985 1 24 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.287 0.067 25125
15986 1 24 . 1 1 34 34 GLU C C 34 175.414 175.414 174.462 0.952 25125
15987 1 24 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.607 0.085 25125
15988 1 24 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.017 1.450 25125
15989 1 24 . 1 1 34 34 GLU H H 34 9.023 9.023 8.587 0.436 25125
15990 1 24 . 1 1 35 35 ASN N N 35 109.907 109.907 118.128 -8.221 25125
15991 1 24 . 1 1 35 35 ASN HA H 35 4.781 4.781 5.018 -0.237 25125
15992 1 24 . 1 1 35 35 ASN C C 35 175.139 175.139 176.812 -1.673 25125
15993 1 24 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.259 -0.113 25125
15994 1 24 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.972 0.351 25125
15995 1 24 . 1 1 35 35 ASN H H 35 7.401 7.401 7.969 -0.568 25125
15996 1 24 . 1 1 36 36 GLY N N 36 106.739 106.739 109.667 -2.928 25125
15997 1 24 . 1 1 36 36 GLY C C 36 174.616 174.616 175.576 -0.960 25125
15998 1 24 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.965 0.050 25125
15999 1 24 . 1 1 36 36 GLY H H 36 8.877 8.877 8.951 -0.074 25125
16000 1 24 . 1 1 37 37 ASN N N 37 120.462 120.462 118.592 1.870 25125
16001 1 24 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.507 -0.145 25125
16002 1 24 . 1 1 37 37 ASN C C 37 178.686 178.686 177.211 1.475 25125
16003 1 24 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.678 0.854 25125
16004 1 24 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.209 -0.625 25125
16005 1 24 . 1 1 37 37 ASN H H 37 8.366 8.366 8.729 -0.363 25125
16006 1 24 . 1 1 38 38 GLU N N 38 119.360 119.360 117.785 1.575 25125
16007 1 24 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.239 -0.169 25125
16008 1 24 . 1 1 38 38 GLU C C 38 179.263 179.263 177.357 1.906 25125
16009 1 24 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.146 1.486 25125
16010 1 24 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.391 1.141 25125
16011 1 24 . 1 1 38 38 GLU H H 38 7.990 7.990 7.520 0.470 25125
16012 1 24 . 1 1 39 39 VAL N N 39 119.259 119.259 119.447 -0.188 25125
16013 1 24 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.156 -0.388 25125
16014 1 24 . 1 1 39 39 VAL C C 39 176.431 176.431 177.354 -0.923 25125
16015 1 24 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.409 1.534 25125
16016 1 24 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.735 -0.660 25125
16017 1 24 . 1 1 39 39 VAL H H 39 6.883 6.883 7.700 -0.817 25125
16018 1 24 . 1 1 40 40 LEU N N 40 119.627 119.627 121.223 -1.596 25125
16019 1 24 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.993 -0.066 25125
16020 1 24 . 1 1 40 40 LEU C C 40 179.538 179.538 178.151 1.387 25125
16021 1 24 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.269 -0.329 25125
16022 1 24 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.328 -0.260 25125
16023 1 24 . 1 1 40 40 LEU H H 40 7.692 7.692 7.998 -0.306 25125
16024 1 24 . 1 1 41 41 ALA N N 41 120.051 120.051 119.982 0.069 25125
16025 1 24 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.063 0.077 25125
16026 1 24 . 1 1 41 41 ALA C C 41 180.528 180.528 179.385 1.143 25125
16027 1 24 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.701 -0.051 25125
16028 1 24 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.884 -0.018 25125
16029 1 24 . 1 1 41 41 ALA H H 41 7.553 7.553 7.674 -0.121 25125
16030 1 24 . 1 1 42 42 ALA N N 42 122.731 122.731 121.611 1.120 25125
16031 1 24 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.088 0.111 25125
16032 1 24 . 1 1 42 42 ALA C C 42 180.198 180.198 180.317 -0.119 25125
16033 1 24 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.358 0.674 25125
16034 1 24 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.031 1.368 25125
16035 1 24 . 1 1 42 42 ALA H H 42 7.604 7.604 7.105 0.499 25125
16036 1 24 . 1 1 43 43 LEU N N 43 119.131 119.131 119.041 0.090 25125
16037 1 24 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.041 1.165 25125
16038 1 24 . 1 1 43 43 LEU C C 43 177.421 177.421 178.637 -1.216 25125
16039 1 24 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.587 -2.042 25125
16040 1 24 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.403 1.201 25125
16041 1 24 . 1 1 43 43 LEU H H 43 8.288 8.288 7.849 0.439 25125
16042 1 24 . 1 1 44 44 ALA N N 44 119.065 119.065 118.488 0.577 25125
16043 1 24 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.125 0.104 25125
16044 1 24 . 1 1 44 44 ALA C C 44 178.686 178.686 178.959 -0.273 25125
16045 1 24 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.215 0.023 25125
16046 1 24 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.475 0.041 25125
16047 1 24 . 1 1 44 44 ALA H H 44 7.302 7.302 7.933 -0.631 25125
16048 1 24 . 1 1 45 45 SER N N 45 108.656 108.656 113.296 -4.640 25125
16049 1 24 . 1 1 45 45 SER HA H 45 4.742 4.742 4.454 0.288 25125
16050 1 24 . 1 1 45 45 SER C C 45 173.296 173.296 174.212 -0.916 25125
16051 1 24 . 1 1 45 45 SER CA C 45 58.656 58.656 59.751 -1.095 25125
16052 1 24 . 1 1 45 45 SER CB C 45 65.407 65.407 64.078 1.329 25125
16053 1 24 . 1 1 45 45 SER H H 45 7.728 7.728 8.173 -0.445 25125
16054 1 24 . 1 1 46 46 LYS N N 46 123.016 123.016 118.518 4.498 25125
16055 1 24 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.486 0.100 25125
16056 1 24 . 1 1 46 46 LYS C C 46 172.719 172.719 175.080 -2.361 25125
16057 1 24 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.183 -0.671 25125
16058 1 24 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.036 3.189 25125
16059 1 24 . 1 1 46 46 LYS H H 46 8.101 8.101 7.662 0.439 25125
16060 1 24 . 1 1 47 47 THR N N 47 111.780 111.780 119.450 -7.670 25125
16061 1 24 . 1 1 47 47 THR HA H 47 4.282 4.282 4.100 0.182 25125
16062 1 24 . 1 1 47 47 THR CA C 47 57.806 57.806 61.717 -3.911 25125
16063 1 24 . 1 1 47 47 THR CB C 47 70.594 70.594 68.376 2.218 25125
16064 1 24 . 1 1 47 47 THR H H 47 7.677 7.677 8.034 -0.357 25125
16065 1 24 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.862 0.043 25125
16066 1 24 . 1 1 48 48 PRO C C 48 172.966 172.966 175.398 -2.432 25125
16067 1 24 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.907 -1.042 25125
16068 1 24 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.823 -1.546 25125
16069 1 24 . 1 1 49 49 ASP N N 49 115.035 115.035 118.643 -3.608 25125
16070 1 24 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.654 -0.210 25125
16071 1 24 . 1 1 49 49 ASP C C 49 175.634 175.634 175.452 0.182 25125
16072 1 24 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.853 1.594 25125
16073 1 24 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.832 -1.320 25125
16074 1 24 . 1 1 49 49 ASP H H 49 8.502 8.502 8.021 0.481 25125
16075 1 24 . 1 1 50 50 VAL N N 50 112.082 112.082 116.240 -4.158 25125
16076 1 24 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.500 -0.220 25125
16077 1 24 . 1 1 50 50 VAL C C 50 171.454 171.454 172.867 -1.413 25125
16078 1 24 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.957 -1.395 25125
16079 1 24 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.496 0.140 25125
16080 1 24 . 1 1 50 50 VAL H H 50 7.173 7.173 7.141 0.032 25125
16081 1 24 . 1 1 51 51 LEU N N 51 128.247 128.247 126.967 1.280 25125
16082 1 24 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.337 -0.018 25125
16083 1 24 . 1 1 51 51 LEU C C 51 173.104 173.104 175.125 -2.021 25125
16084 1 24 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.452 -0.234 25125
16085 1 24 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.115 0.391 25125
16086 1 24 . 1 1 51 51 LEU H H 51 8.059 8.059 7.938 0.121 25125
16087 1 24 . 1 1 52 52 LEU N N 52 128.407 128.407 121.971 6.436 25125
16088 1 24 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.932 0.569 25125
16089 1 24 . 1 1 52 52 LEU C C 52 175.414 175.414 175.485 -0.071 25125
16090 1 24 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.706 -0.383 25125
16091 1 24 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.416 1.105 25125
16092 1 24 . 1 1 52 52 LEU H H 52 9.242 9.242 8.453 0.789 25125
16093 1 24 . 1 1 53 53 SER N N 53 114.946 114.946 118.070 -3.124 25125
16094 1 24 . 1 1 53 53 SER HA H 53 5.595 5.595 5.220 0.375 25125
16095 1 24 . 1 1 53 53 SER C C 53 174.644 174.644 173.987 0.657 25125
16096 1 24 . 1 1 53 53 SER CA C 53 55.954 55.954 58.084 -2.130 25125
16097 1 24 . 1 1 53 53 SER CB C 53 66.473 66.473 64.989 1.484 25125
16098 1 24 . 1 1 53 53 SER H H 53 8.695 8.695 7.956 0.739 25125
16099 1 24 . 1 1 54 54 ASP N N 54 128.341 128.341 124.234 4.107 25125
16100 1 24 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.872 0.453 25125
16101 1 24 . 1 1 54 54 ASP C C 54 176.816 176.816 175.855 0.961 25125
16102 1 24 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.755 0.738 25125
16103 1 24 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.906 -0.578 25125
16104 1 24 . 1 1 54 54 ASP H H 54 7.886 7.886 8.131 -0.245 25125
16105 1 24 . 1 1 55 55 ILE N N 55 121.229 121.229 118.880 2.349 25125
16106 1 24 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.742 0.443 25125
16107 1 24 . 1 1 55 55 ILE C C 55 175.084 175.084 174.470 0.614 25125
16108 1 24 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.165 -0.623 25125
16109 1 24 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.165 2.864 25125
16110 1 24 . 1 1 55 55 ILE H H 55 8.722 8.722 7.397 1.325 25125
16111 1 24 . 1 1 56 56 ARG N N 56 124.188 124.188 124.489 -0.301 25125
16112 1 24 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.565 -0.060 25125
16113 1 24 . 1 1 56 56 ARG C C 56 175.661 175.661 174.952 0.709 25125
16114 1 24 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.766 -0.325 25125
16115 1 24 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.308 -0.946 25125
16116 1 24 . 1 1 56 56 ARG H H 56 8.499 8.499 8.489 0.010 25125
16117 1 24 . 1 1 57 57 MET N N 57 122.581 122.581 119.255 3.326 25125
16118 1 24 . 1 1 57 57 MET HA H 57 4.821 4.821 5.005 -0.184 25125
16119 1 24 . 1 1 57 57 MET CA C 57 53.132 53.132 51.973 1.159 25125
16120 1 24 . 1 1 57 57 MET CB C 57 33.445 33.445 32.730 0.715 25125
16121 1 24 . 1 1 57 57 MET H H 57 7.956 7.956 8.003 -0.047 25125
16122 1 24 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.448 -0.055 25125
16123 1 24 . 1 1 58 58 PRO C C 58 177.806 177.806 177.432 0.374 25125
16124 1 24 . 1 1 58 58 PRO CA C 58 63.499 63.499 65.156 -1.657 25125
16125 1 24 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.792 0.015 25125
16126 1 24 . 1 1 59 59 GLY N N 59 111.082 111.082 108.177 2.905 25125
16127 1 24 . 1 1 59 59 GLY C C 59 173.626 173.626 174.081 -0.455 25125
16128 1 24 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.034 0.556 25125
16129 1 24 . 1 1 59 59 GLY H H 59 8.653 8.653 7.953 0.700 25125
16130 1 24 . 1 1 60 60 MET N N 60 120.052 120.052 121.003 -0.951 25125
16131 1 24 . 1 1 60 60 MET HA H 60 4.525 4.525 4.381 0.144 25125
16132 1 24 . 1 1 60 60 MET C C 60 173.956 173.956 175.179 -1.223 25125
16133 1 24 . 1 1 60 60 MET CA C 60 55.047 55.047 56.109 -1.062 25125
16134 1 24 . 1 1 60 60 MET CB C 60 34.506 34.506 32.907 1.599 25125
16135 1 24 . 1 1 60 60 MET H H 60 7.968 7.968 7.988 -0.020 25125
16136 1 24 . 1 1 61 61 ASP N N 61 121.306 121.306 122.245 -0.939 25125
16137 1 24 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.735 -0.031 25125
16138 1 24 . 1 1 61 61 ASP C C 61 176.761 176.761 177.382 -0.621 25125
16139 1 24 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.715 0.014 25125
16140 1 24 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.213 0.856 25125
16141 1 24 . 1 1 61 61 ASP H H 61 8.379 8.379 8.728 -0.349 25125
16142 1 24 . 1 1 62 62 GLY N N 62 110.874 110.874 108.274 2.600 25125
16143 1 24 . 1 1 62 62 GLY C C 62 175.194 175.194 175.710 -0.516 25125
16144 1 24 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.696 0.406 25125
16145 1 24 . 1 1 62 62 GLY H H 62 8.707 8.707 8.308 0.399 25125
16146 1 24 . 1 1 63 63 LEU N N 63 121.299 121.299 124.184 -2.885 25125
16147 1 24 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.020 0.157 25125
16148 1 24 . 1 1 63 63 LEU C C 63 178.356 178.356 178.874 -0.518 25125
16149 1 24 . 1 1 63 63 LEU CA C 63 56.878 56.878 57.897 -1.019 25125
16150 1 24 . 1 1 63 63 LEU CB C 63 41.238 41.238 41.221 0.017 25125
16151 1 24 . 1 1 63 63 LEU H H 63 8.045 8.045 7.916 0.129 25125
16152 1 24 . 1 1 64 64 ALA N N 64 122.741 122.741 121.789 0.952 25125
16153 1 24 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.031 0.031 25125
16154 1 24 . 1 1 64 64 ALA C C 64 180.556 180.556 179.073 1.483 25125
16155 1 24 . 1 1 64 64 ALA CA C 64 54.615 54.615 54.977 -0.362 25125
16156 1 24 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.167 -0.167 25125
16157 1 24 . 1 1 64 64 ALA H H 64 7.859 7.859 8.242 -0.383 25125
16158 1 24 . 1 1 65 65 LEU N N 65 120.287 120.287 115.483 4.804 25125
16159 1 24 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.309 -0.247 25125
16160 1 24 . 1 1 65 65 LEU C C 65 178.191 178.191 178.874 -0.683 25125
16161 1 24 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.988 1.031 25125
16162 1 24 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.075 -0.838 25125
16163 1 24 . 1 1 65 65 LEU H H 65 8.022 8.022 7.385 0.637 25125
16164 1 24 . 1 1 66 66 LEU N N 66 118.738 118.738 120.824 -2.086 25125
16165 1 24 . 1 1 66 66 LEU HA H 66 3.858 3.858 3.911 -0.053 25125
16166 1 24 . 1 1 66 66 LEU C C 66 178.631 178.631 178.976 -0.345 25125
16167 1 24 . 1 1 66 66 LEU CA C 66 58.346 58.346 58.808 -0.462 25125
16168 1 24 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.706 -0.468 25125
16169 1 24 . 1 1 66 66 LEU H H 66 8.101 8.101 8.767 -0.666 25125
16170 1 24 . 1 1 67 67 LYS N N 67 117.842 117.842 117.153 0.689 25125
16171 1 24 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.001 -0.019 25125
16172 1 24 . 1 1 67 67 LYS C C 67 179.263 179.263 179.197 0.066 25125
16173 1 24 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.251 0.546 25125
16174 1 24 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.990 0.217 25125
16175 1 24 . 1 1 67 67 LYS H H 67 8.010 8.010 8.372 -0.362 25125
16176 1 24 . 1 1 68 68 GLN N N 68 118.875 118.875 118.293 0.582 25125
16177 1 24 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.260 -0.204 25125
16178 1 24 . 1 1 68 68 GLN C C 68 179.071 179.071 177.974 1.097 25125
16179 1 24 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.283 0.790 25125
16180 1 24 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.489 0.122 25125
16181 1 24 . 1 1 68 68 GLN H H 68 7.809 7.809 7.416 0.393 25125
16182 1 24 . 1 1 69 69 ILE N N 69 120.377 120.377 122.470 -2.093 25125
16183 1 24 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.940 -0.410 25125
16184 1 24 . 1 1 69 69 ILE C C 69 177.421 177.421 178.337 -0.916 25125
16185 1 24 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.269 0.609 25125
16186 1 24 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.902 -0.318 25125
16187 1 24 . 1 1 69 69 ILE H H 69 8.481 8.481 8.327 0.154 25125
16188 1 24 . 1 1 70 70 LYS N N 70 117.873 117.873 118.921 -1.048 25125
16189 1 24 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.164 -0.204 25125
16190 1 24 . 1 1 70 70 LYS C C 70 178.053 178.053 178.418 -0.365 25125
16191 1 24 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.215 -2.127 25125
16192 1 24 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.364 -1.152 25125
16193 1 24 . 1 1 70 70 LYS H H 70 8.220 8.220 7.846 0.374 25125
16194 1 24 . 1 1 71 71 GLN N N 71 116.315 116.315 118.073 -1.758 25125
16195 1 24 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.144 -0.152 25125
16196 1 24 . 1 1 71 71 GLN C C 71 177.366 177.366 177.849 -0.483 25125
16197 1 24 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.299 -0.109 25125
16198 1 24 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.148 -0.483 25125
16199 1 24 . 1 1 71 71 GLN H H 71 7.601 7.601 7.512 0.089 25125
16200 1 24 . 1 1 72 72 ARG N N 72 116.530 116.530 117.995 -1.465 25125
16201 1 24 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.098 -0.068 25125
16202 1 24 . 1 1 72 72 ARG C C 72 175.826 175.826 176.165 -0.339 25125
16203 1 24 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.283 -0.061 25125
16204 1 24 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.263 0.539 25125
16205 1 24 . 1 1 72 72 ARG H H 72 7.301 7.301 8.069 -0.768 25125
16206 1 24 . 1 1 73 73 HIS N N 73 116.755 116.755 117.618 -0.863 25125
16207 1 24 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.939 0.021 25125
16208 1 24 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.072 0.146 25125
16209 1 24 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.291 0.271 25125
16210 1 24 . 1 1 73 73 HIS H H 73 8.331 8.331 7.732 0.599 25125
16211 1 24 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.461 0.038 25125
16212 1 24 . 1 1 74 74 PRO C C 74 178.466 178.466 177.234 1.232 25125
16213 1 24 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.572 0.541 25125
16214 1 24 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.192 -0.097 25125
16215 1 24 . 1 1 75 75 MET N N 75 114.814 114.814 112.871 1.943 25125
16216 1 24 . 1 1 75 75 MET HA H 75 4.567 4.567 4.705 -0.138 25125
16217 1 24 . 1 1 75 75 MET C C 75 176.046 176.046 175.283 0.763 25125
16218 1 24 . 1 1 75 75 MET CA C 75 54.266 54.266 55.483 -1.216 25125
16219 1 24 . 1 1 75 75 MET CB C 75 31.288 31.288 33.096 -1.808 25125
16220 1 24 . 1 1 75 75 MET H H 75 8.623 8.623 7.720 0.903 25125
16221 1 24 . 1 1 76 76 LEU N N 76 125.533 125.533 124.764 0.769 25125
16222 1 24 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.658 -0.353 25125
16223 1 24 . 1 1 76 76 LEU CA C 76 53.112 53.112 52.130 0.982 25125
16224 1 24 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.131 0.554 25125
16225 1 24 . 1 1 76 76 LEU H H 76 7.337 7.337 7.284 0.053 25125
16226 1 24 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.533 -0.087 25125
16227 1 24 . 1 1 77 77 PRO C C 77 174.974 174.974 175.105 -0.131 25125
16228 1 24 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.379 0.448 25125
16229 1 24 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.516 -0.794 25125
16230 1 24 . 1 1 78 78 VAL N N 78 123.779 123.779 119.702 4.077 25125
16231 1 24 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.760 0.264 25125
16232 1 24 . 1 1 78 78 VAL C C 78 175.441 175.441 175.191 0.250 25125
16233 1 24 . 1 1 78 78 VAL CA C 78 60.193 60.193 61.260 -1.067 25125
16234 1 24 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.706 -2.412 25125
16235 1 24 . 1 1 78 78 VAL H H 78 8.317 8.317 8.185 0.132 25125
16236 1 24 . 1 1 79 79 ILE N N 79 128.334 128.334 122.167 6.167 25125
16237 1 24 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.743 -0.262 25125
16238 1 24 . 1 1 79 79 ILE C C 79 174.479 174.479 174.549 -0.070 25125
16239 1 24 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.076 -0.554 25125
16240 1 24 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.005 -2.042 25125
16241 1 24 . 1 1 79 79 ILE H H 79 9.292 9.292 8.167 1.125 25125
16242 1 24 . 1 1 80 80 ILE N N 80 127.023 127.023 124.151 2.872 25125
16243 1 24 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.309 0.550 25125
16244 1 24 . 1 1 80 80 ILE C C 80 175.029 175.029 174.901 0.128 25125
16245 1 24 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.587 -1.430 25125
16246 1 24 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.347 -1.403 25125
16247 1 24 . 1 1 80 80 ILE H H 80 7.938 7.938 8.718 -0.780 25125
16248 1 24 . 1 1 81 81 MET N N 81 127.255 127.255 125.310 1.945 25125
16249 1 24 . 1 1 81 81 MET HA H 81 5.521 5.521 5.572 -0.051 25125
16250 1 24 . 1 1 81 81 MET C C 81 174.534 174.534 175.513 -0.979 25125
16251 1 24 . 1 1 81 81 MET CA C 81 53.513 53.513 55.020 -1.507 25125
16252 1 24 . 1 1 81 81 MET CB C 81 35.483 35.483 35.597 -0.114 25125
16253 1 24 . 1 1 81 81 MET H H 81 8.801 8.801 8.192 0.609 25125
16254 1 24 . 1 1 82 82 THR N N 82 112.857 112.857 118.603 -5.746 25125
16255 1 24 . 1 1 82 82 THR HA H 82 4.914 4.914 4.499 0.415 25125
16256 1 24 . 1 1 82 82 THR C C 82 172.581 172.581 173.285 -0.704 25125
16257 1 24 . 1 1 82 82 THR CA C 82 59.561 59.561 63.413 -3.852 25125
16258 1 24 . 1 1 82 82 THR CB C 82 69.989 69.989 69.792 0.197 25125
16259 1 24 . 1 1 82 82 THR H H 82 7.623 7.623 8.266 -0.643 25125
16260 1 24 . 1 1 83 83 ALA N N 83 129.541 129.541 126.113 3.428 25125
16261 1 24 . 1 1 83 83 ALA HA H 83 4.708 4.708 4.011 0.697 25125
16262 1 24 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.829 -1.291 25125
16263 1 24 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.850 2.297 25125
16264 1 24 . 1 1 83 83 ALA H H 83 9.149 9.149 8.331 0.818 25125
16265 1 24 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.559 -0.287 25125
16266 1 24 . 1 1 84 84 HIS CA C 84 59.700 59.700 56.061 3.639 25125
16267 1 24 . 1 1 84 84 HIS CB C 84 30.018 30.018 31.030 -1.012 25125
16268 1 24 . 1 1 85 85 SER N N 85 112.633 112.633 114.057 -1.424 25125
16269 1 24 . 1 1 85 85 SER HA H 85 4.198 4.198 4.449 -0.251 25125
16270 1 24 . 1 1 85 85 SER C C 85 174.506 174.506 173.215 1.291 25125
16271 1 24 . 1 1 85 85 SER CA C 85 59.823 59.823 59.192 0.631 25125
16272 1 24 . 1 1 85 85 SER CB C 85 62.693 62.693 64.092 -1.399 25125
16273 1 24 . 1 1 85 85 SER H H 85 8.224 8.224 7.183 1.041 25125
16274 1 24 . 1 1 86 86 ASP N N 86 120.886 120.886 120.164 0.722 25125
16275 1 24 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.615 0.321 25125
16276 1 24 . 1 1 86 86 ASP C C 86 175.881 175.881 176.508 -0.627 25125
16277 1 24 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.768 -0.834 25125
16278 1 24 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.686 0.317 25125
16279 1 24 . 1 1 86 86 ASP H H 86 7.608 7.608 8.072 -0.464 25125
16280 1 24 . 1 1 87 87 LEU N N 87 121.913 121.913 121.034 0.879 25125
16281 1 24 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.544 0.375 25125
16282 1 24 . 1 1 87 87 LEU C C 87 177.586 177.586 178.026 -0.440 25125
16283 1 24 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.650 -0.813 25125
16284 1 24 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.452 0.863 25125
16285 1 24 . 1 1 87 87 LEU H H 87 7.498 7.498 8.111 -0.613 25125
16286 1 24 . 1 1 88 88 ASP N N 88 117.621 117.621 117.373 0.248 25125
16287 1 24 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.200 0.072 25125
16288 1 24 . 1 1 88 88 ASP C C 88 178.246 178.246 177.386 0.860 25125
16289 1 24 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.333 -0.523 25125
16290 1 24 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.394 -0.260 25125
16291 1 24 . 1 1 88 88 ASP H H 88 8.322 8.322 8.485 -0.163 25125
16292 1 24 . 1 1 89 89 ALA N N 89 122.874 122.874 120.960 1.914 25125
16293 1 24 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.348 -0.254 25125
16294 1 24 . 1 1 89 89 ALA C C 89 179.346 179.346 179.374 -0.028 25125
16295 1 24 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.419 -0.266 25125
16296 1 24 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.699 -0.438 25125
16297 1 24 . 1 1 89 89 ALA H H 89 7.838 7.838 7.579 0.259 25125
16298 1 24 . 1 1 90 90 ALA N N 90 121.673 121.673 122.075 -0.402 25125
16299 1 24 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.055 -0.122 25125
16300 1 24 . 1 1 90 90 ALA C C 90 178.686 178.686 179.814 -1.128 25125
16301 1 24 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.962 -0.299 25125
16302 1 24 . 1 1 90 90 ALA CB C 90 18.382 18.382 17.980 0.402 25125
16303 1 24 . 1 1 90 90 ALA H H 90 7.896 7.896 8.296 -0.400 25125
16304 1 24 . 1 1 91 91 VAL N N 91 117.749 117.749 117.679 0.070 25125
16305 1 24 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.001 -0.389 25125
16306 1 24 . 1 1 91 91 VAL C C 91 178.411 178.411 177.367 1.044 25125
16307 1 24 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.595 -1.414 25125
16308 1 24 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.875 -0.238 25125
16309 1 24 . 1 1 91 91 VAL H H 91 8.098 8.098 8.455 -0.357 25125
16310 1 24 . 1 1 92 92 SER N N 92 114.942 114.942 113.862 1.080 25125
16311 1 24 . 1 1 92 92 SER HA H 92 4.231 4.231 4.474 -0.243 25125
16312 1 24 . 1 1 92 92 SER C C 92 175.826 175.826 175.112 0.714 25125
16313 1 24 . 1 1 92 92 SER CA C 92 60.649 60.649 60.129 0.520 25125
16314 1 24 . 1 1 92 92 SER CB C 92 63.063 63.063 64.311 -1.248 25125
16315 1 24 . 1 1 92 92 SER H H 92 7.825 7.825 7.880 -0.055 25125
16316 1 24 . 1 1 93 93 ALA N N 93 122.580 122.580 122.734 -0.154 25125
16317 1 24 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.133 -0.076 25125
16318 1 24 . 1 1 93 93 ALA C C 93 178.906 178.906 179.445 -0.539 25125
16319 1 24 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.665 -0.348 25125
16320 1 24 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.775 -0.478 25125
16321 1 24 . 1 1 93 93 ALA H H 93 7.861 7.861 8.380 -0.519 25125
16322 1 24 . 1 1 94 94 TYR N N 94 118.447 118.447 120.674 -2.227 25125
16323 1 24 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.284 0.208 25125
16324 1 24 . 1 1 94 94 TYR C C 94 177.393 177.393 177.467 -0.074 25125
16325 1 24 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.932 -0.681 25125
16326 1 24 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.391 0.043 25125
16327 1 24 . 1 1 94 94 TYR H H 94 8.150 8.150 7.881 0.269 25125
16328 1 24 . 1 1 95 95 GLN N N 95 119.787 119.787 116.009 3.778 25125
16329 1 24 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.053 -0.010 25125
16330 1 24 . 1 1 95 95 GLN C C 95 176.981 176.981 176.639 0.342 25125
16331 1 24 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.951 0.515 25125
16332 1 24 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.749 0.340 25125
16333 1 24 . 1 1 95 95 GLN H H 95 8.271 8.271 8.064 0.207 25125
16334 1 24 . 1 1 96 96 GLN N N 96 117.878 117.878 118.645 -0.767 25125
16335 1 24 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.224 0.121 25125
16336 1 24 . 1 1 96 96 GLN C C 96 175.854 175.854 176.290 -0.436 25125
16337 1 24 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.477 -0.306 25125
16338 1 24 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.580 -0.105 25125
16339 1 24 . 1 1 96 96 GLN H H 96 7.944 7.944 7.648 0.296 25125
16340 1 24 . 1 1 97 97 GLY N N 97 106.670 106.670 105.909 0.761 25125
16341 1 24 . 1 1 97 97 GLY C C 97 174.231 174.231 173.189 1.042 25125
16342 1 24 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.880 0.606 25125
16343 1 24 . 1 1 97 97 GLY H H 97 7.949 7.949 8.224 -0.275 25125
16344 1 24 . 1 1 98 98 ALA N N 98 122.898 122.898 120.922 1.976 25125
16345 1 24 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.406 -0.031 25125
16346 1 24 . 1 1 98 98 ALA C C 98 175.991 175.991 175.597 0.394 25125
16347 1 24 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.251 1.917 25125
16348 1 24 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.234 -1.265 25125
16349 1 24 . 1 1 98 98 ALA H H 98 7.808 7.808 7.165 0.643 25125
16350 1 24 . 1 1 99 99 PHE N N 99 123.484 123.484 118.589 4.895 25125
16351 1 24 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.516 -0.166 25125
16352 1 24 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.257 2.199 25125
16353 1 24 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.459 -1.019 25125
16354 1 24 . 1 1 99 99 PHE H H 99 7.704 7.704 8.205 -0.501 25125
16355 1 24 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.878 0.626 25125
16356 1 24 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.968 -1.486 25125
16357 1 24 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.425 3.775 25125
16358 1 24 . 1 1 101 101 TYR N N 101 118.148 118.148 121.830 -3.682 25125
16359 1 24 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.451 0.997 25125
16360 1 24 . 1 1 101 101 TYR C C 101 173.159 173.159 174.095 -0.936 25125
16361 1 24 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.489 -0.502 25125
16362 1 24 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.236 2.662 25125
16363 1 24 . 1 1 101 101 TYR H H 101 9.546 9.546 7.431 2.115 25125
16364 1 24 . 1 1 102 102 LEU N N 102 124.100 124.100 120.042 4.058 25125
16365 1 24 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.075 -0.355 25125
16366 1 24 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.329 -0.830 25125
16367 1 24 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.477 -0.416 25125
16368 1 24 . 1 1 102 102 LEU H H 102 8.901 8.901 8.609 0.292 25125
16369 1 24 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.685 0.208 25125
16370 1 24 . 1 1 103 103 PRO C C 103 175.524 175.524 175.361 0.163 25125
16371 1 24 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.445 -0.560 25125
16372 1 24 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.194 -0.387 25125
16373 1 24 . 1 1 104 104 LYS N N 104 118.848 118.848 121.454 -2.606 25125
16374 1 24 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.907 -0.394 25125
16375 1 24 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.745 -0.527 25125
16376 1 24 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.117 1.627 25125
16377 1 24 . 1 1 104 104 LYS H H 104 8.279 8.279 8.067 0.212 25125
16378 1 24 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.473 -0.174 25125
16379 1 24 . 1 1 105 105 PRO C C 105 175.001 175.001 175.362 -0.361 25125
16380 1 24 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.598 -0.204 25125
16381 1 24 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.137 1.958 25125
16382 1 24 . 1 1 106 106 PHE N N 106 116.607 116.607 114.958 1.649 25125
16383 1 24 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.777 0.393 25125
16384 1 24 . 1 1 106 106 PHE C C 106 175.221 175.221 174.254 0.967 25125
16385 1 24 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.959 -2.525 25125
16386 1 24 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.364 0.036 25125
16387 1 24 . 1 1 106 106 PHE H H 106 7.457 7.457 7.517 -0.060 25125
16388 1 24 . 1 1 107 107 ASP N N 107 122.214 122.214 122.420 -0.206 25125
16389 1 24 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.029 -0.197 25125
16390 1 24 . 1 1 107 107 ASP C C 107 177.778 177.778 177.001 0.777 25125
16391 1 24 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.821 -0.579 25125
16392 1 24 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.341 1.256 25125
16393 1 24 . 1 1 107 107 ASP H H 107 9.022 9.022 8.592 0.430 25125
16394 1 24 . 1 1 108 108 ILE N N 108 127.706 127.706 125.037 2.669 25125
16395 1 24 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.739 0.226 25125
16396 1 24 . 1 1 108 108 ILE C C 108 176.046 176.046 177.147 -1.101 25125
16397 1 24 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.703 -1.714 25125
16398 1 24 . 1 1 108 108 ILE CB C 108 37.754 37.754 37.997 -0.243 25125
16399 1 24 . 1 1 108 108 ILE H H 108 8.860 8.860 8.851 0.009 25125
16400 1 24 . 1 1 109 109 ASP N N 109 120.058 120.058 118.910 1.148 25125
16401 1 24 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.326 0.062 25125
16402 1 24 . 1 1 109 109 ASP C C 109 179.786 179.786 178.777 1.009 25125
16403 1 24 . 1 1 109 109 ASP CA C 109 57.494 57.494 58.058 -0.564 25125
16404 1 24 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.145 -0.091 25125
16405 1 24 . 1 1 109 109 ASP H H 109 8.079 8.079 8.685 -0.606 25125
16406 1 24 . 1 1 110 110 GLU N N 110 121.559 121.559 119.627 1.932 25125
16407 1 24 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.243 -0.175 25125
16408 1 24 . 1 1 110 110 GLU C C 110 179.043 179.043 178.355 0.688 25125
16409 1 24 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.542 0.284 25125
16410 1 24 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.875 -0.532 25125
16411 1 24 . 1 1 110 110 GLU H H 110 8.012 8.012 8.151 -0.139 25125
16412 1 24 . 1 1 111 111 ALA N N 111 122.267 122.267 123.194 -0.927 25125
16413 1 24 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.973 -0.219 25125
16414 1 24 . 1 1 111 111 ALA C C 111 178.493 178.493 179.464 -0.971 25125
16415 1 24 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.196 -0.023 25125
16416 1 24 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.316 0.066 25125
16417 1 24 . 1 1 111 111 ALA H H 111 7.897 7.897 7.821 0.076 25125
16418 1 24 . 1 1 112 112 VAL N N 112 116.527 116.527 118.013 -1.486 25125
16419 1 24 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.525 -0.358 25125
16420 1 24 . 1 1 112 112 VAL C C 112 177.201 177.201 177.690 -0.489 25125
16421 1 24 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.711 0.434 25125
16422 1 24 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.668 -0.116 25125
16423 1 24 . 1 1 112 112 VAL H H 112 8.018 8.018 8.413 -0.395 25125
16424 1 24 . 1 1 113 113 ALA N N 113 119.895 119.895 119.876 0.019 25125
16425 1 24 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.117 0.021 25125
16426 1 24 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.204 0.628 25125
16427 1 24 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.744 -0.872 25125
16428 1 24 . 1 1 113 113 ALA H H 113 7.673 7.673 7.586 0.087 25125
16429 1 24 . 1 1 114 114 LEU N N 114 120.650 120.650 120.530 0.120 25125
16430 1 24 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.201 -0.118 25125
16431 1 24 . 1 1 114 114 LEU C C 114 178.466 178.466 178.415 0.051 25125
16432 1 24 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.509 0.511 25125
16433 1 24 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.057 -0.224 25125
16434 1 24 . 1 1 114 114 LEU H H 114 7.840 7.840 7.209 0.631 25125
16435 1 24 . 1 1 115 115 VAL N N 115 119.480 119.480 118.789 0.691 25125
16436 1 24 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.480 -0.268 25125
16437 1 24 . 1 1 115 115 VAL C C 115 177.448 177.448 177.255 0.193 25125
16438 1 24 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.740 1.461 25125
16439 1 24 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.497 -0.825 25125
16440 1 24 . 1 1 115 115 VAL H H 115 7.824 7.824 8.084 -0.260 25125
16441 1 24 . 1 1 116 116 GLU N N 116 117.473 117.473 118.700 -1.227 25125
16442 1 24 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.919 -0.130 25125
16443 1 24 . 1 1 116 116 GLU C C 116 179.566 179.566 178.591 0.975 25125
16444 1 24 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.560 0.370 25125
16445 1 24 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.340 -0.243 25125
16446 1 24 . 1 1 116 116 GLU H H 116 8.465 8.465 7.703 0.762 25125
16447 1 24 . 1 1 117 117 ARG N N 117 120.128 120.128 119.206 0.922 25125
16448 1 24 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.101 -0.037 25125
16449 1 24 . 1 1 117 117 ARG C C 117 178.438 178.438 177.276 1.162 25125
16450 1 24 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.616 0.662 25125
16451 1 24 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.024 0.253 25125
16452 1 24 . 1 1 117 117 ARG H H 117 8.012 8.012 7.401 0.611 25125
16453 1 24 . 1 1 118 118 ALA N N 118 122.270 122.270 120.504 1.766 25125
16454 1 24 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.913 -0.457 25125
16455 1 24 . 1 1 118 118 ALA C C 118 178.741 178.741 178.438 0.303 25125
16456 1 24 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.802 0.776 25125
16457 1 24 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.863 -0.704 25125
16458 1 24 . 1 1 118 118 ALA H H 118 7.958 7.958 7.287 0.671 25125
16459 1 24 . 1 1 119 119 ILE N N 119 115.269 115.269 117.661 -2.392 25125
16460 1 24 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.221 -0.493 25125
16461 1 24 . 1 1 119 119 ILE C C 119 177.366 177.366 178.329 -0.963 25125
16462 1 24 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.047 -0.378 25125
16463 1 24 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.840 -1.042 25125
16464 1 24 . 1 1 119 119 ILE H H 119 7.753 7.753 7.522 0.231 25125
16465 1 24 . 1 1 120 120 SER N N 120 115.135 115.135 115.283 -0.148 25125
16466 1 24 . 1 1 120 120 SER HA H 120 4.275 4.275 4.138 0.137 25125
16467 1 24 . 1 1 120 120 SER C C 120 175.084 175.084 175.416 -0.332 25125
16468 1 24 . 1 1 120 120 SER CA C 120 59.816 59.816 61.299 -1.483 25125
16469 1 24 . 1 1 120 120 SER CB C 120 63.380 63.380 62.931 0.449 25125
16470 1 24 . 1 1 120 120 SER H H 120 7.816 7.816 8.216 -0.400 25125
16471 1 24 . 1 1 121 121 HIS N N 121 119.908 119.908 119.202 0.706 25125
16472 1 24 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.153 0.269 25125
16473 1 24 . 1 1 121 121 HIS C C 121 175.029 175.029 175.628 -0.599 25125
16474 1 24 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.569 -1.333 25125
16475 1 24 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.721 -0.294 25125
16476 1 24 . 1 1 121 121 HIS H H 121 7.910 7.910 7.716 0.194 25125
16477 1 24 . 1 1 122 122 TYR N N 122 118.880 118.880 117.675 1.205 25125
16478 1 24 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.467 -0.041 25125
16479 1 24 . 1 1 122 122 TYR C C 122 175.276 175.276 177.846 -2.570 25125
16480 1 24 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.392 -0.943 25125
16481 1 24 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.743 -0.139 25125
16482 1 24 . 1 1 122 122 TYR H H 122 7.766 7.766 7.689 0.077 25125
16483 1 24 . 1 1 123 123 GLN N N 123 121.479 121.479 118.937 2.542 25125
16484 1 24 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.167 0.103 25125
16485 1 24 . 1 1 123 123 GLN C C 123 174.534 174.534 176.096 -1.562 25125
16486 1 24 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.407 -1.895 25125
16487 1 24 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.472 0.296 25125
16488 1 24 . 1 1 123 123 GLN H H 123 7.878 7.878 8.167 -0.289 25125
16489 1 25 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.593 -0.160 25125
16490 1 25 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.434 0.130 25125
16491 1 25 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.206 2.394 25125
16492 1 25 . 1 1 3 3 ARG N N 3 121.252 121.252 119.893 1.359 25125
16493 1 25 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.196 0.169 25125
16494 1 25 . 1 1 3 3 ARG C C 3 175.634 175.634 175.849 -0.215 25125
16495 1 25 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.541 -0.549 25125
16496 1 25 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.333 0.964 25125
16497 1 25 . 1 1 3 3 ARG H H 3 8.429 8.429 7.543 0.886 25125
16498 1 25 . 1 1 4 4 GLY N N 4 107.663 107.663 108.733 -1.070 25125
16499 1 25 . 1 1 4 4 GLY C C 4 171.041 171.041 173.024 -1.983 25125
16500 1 25 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.419 0.897 25125
16501 1 25 . 1 1 4 4 GLY H H 4 7.963 7.963 7.697 0.266 25125
16502 1 25 . 1 1 5 5 ILE N N 5 122.603 122.603 124.621 -2.018 25125
16503 1 25 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.044 0.655 25125
16504 1 25 . 1 1 5 5 ILE C C 5 175.359 175.359 175.076 0.283 25125
16505 1 25 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.593 -0.983 25125
16506 1 25 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.512 0.064 25125
16507 1 25 . 1 1 5 5 ILE H H 5 9.610 9.610 8.136 1.474 25125
16508 1 25 . 1 1 6 6 VAL N N 6 127.905 127.905 125.095 2.810 25125
16509 1 25 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.919 -0.107 25125
16510 1 25 . 1 1 6 6 VAL C C 6 174.204 174.204 175.420 -1.216 25125
16511 1 25 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.618 -1.059 25125
16512 1 25 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.489 1.037 25125
16513 1 25 . 1 1 6 6 VAL H H 6 9.090 9.090 8.214 0.876 25125
16514 1 25 . 1 1 7 7 TRP N N 7 127.467 127.467 128.519 -1.052 25125
16515 1 25 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.223 1.231 25125
16516 1 25 . 1 1 7 7 TRP C C 7 175.056 175.056 175.305 -0.249 25125
16517 1 25 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.610 -1.732 25125
16518 1 25 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.189 1.945 25125
16519 1 25 . 1 1 7 7 TRP H H 7 8.497 8.497 8.125 0.372 25125
16520 1 25 . 1 1 8 8 VAL N N 8 122.068 122.068 120.734 1.334 25125
16521 1 25 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.509 0.577 25125
16522 1 25 . 1 1 8 8 VAL C C 8 173.874 173.874 174.283 -0.409 25125
16523 1 25 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.979 -0.493 25125
16524 1 25 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.905 0.810 25125
16525 1 25 . 1 1 8 8 VAL H H 8 8.583 8.583 9.299 -0.716 25125
16526 1 25 . 1 1 9 9 VAL N N 9 127.733 127.733 124.536 3.197 25125
16527 1 25 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.715 0.246 25125
16528 1 25 . 1 1 9 9 VAL C C 9 173.131 173.131 173.491 -0.360 25125
16529 1 25 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.990 -1.315 25125
16530 1 25 . 1 1 9 9 VAL CB C 9 32.911 32.911 35.956 -3.045 25125
16531 1 25 . 1 1 9 9 VAL H H 9 9.107 9.107 8.173 0.934 25125
16532 1 25 . 1 1 10 10 ASP N N 10 124.306 124.306 125.765 -1.459 25125
16533 1 25 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.832 -0.263 25125
16534 1 25 . 1 1 10 10 ASP C C 10 175.029 175.029 174.581 0.448 25125
16535 1 25 . 1 1 10 10 ASP CA C 10 54.747 54.747 54.142 0.605 25125
16536 1 25 . 1 1 10 10 ASP CB C 10 44.109 44.109 44.037 0.072 25125
16537 1 25 . 1 1 10 10 ASP H H 10 7.775 7.775 8.016 -0.241 25125
16538 1 25 . 1 1 11 11 ASP N N 11 126.714 126.714 119.964 6.750 25125
16539 1 25 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.692 -0.157 25125
16540 1 25 . 1 1 11 11 ASP C C 11 175.689 175.689 175.731 -0.042 25125
16541 1 25 . 1 1 11 11 ASP CA C 11 55.718 55.718 55.093 0.625 25125
16542 1 25 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.721 0.353 25125
16543 1 25 . 1 1 11 11 ASP H H 11 9.033 9.033 8.748 0.285 25125
16544 1 25 . 1 1 12 12 ASP N N 12 121.877 121.877 118.973 2.904 25125
16545 1 25 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.880 -0.234 25125
16546 1 25 . 1 1 12 12 ASP C C 12 177.036 177.036 176.241 0.795 25125
16547 1 25 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.903 -0.600 25125
16548 1 25 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.186 -2.022 25125
16549 1 25 . 1 1 12 12 ASP H H 12 9.570 9.570 7.949 1.621 25125
16550 1 25 . 1 1 13 13 SER N N 13 123.799 123.799 119.448 4.351 25125
16551 1 25 . 1 1 13 13 SER HA H 13 3.761 3.761 4.242 -0.481 25125
16552 1 25 . 1 1 13 13 SER C C 13 176.156 176.156 176.110 0.046 25125
16553 1 25 . 1 1 13 13 SER CA C 13 61.186 61.186 61.814 -0.628 25125
16554 1 25 . 1 1 13 13 SER CB C 13 62.749 62.749 63.243 -0.494 25125
16555 1 25 . 1 1 13 13 SER H H 13 8.850 8.850 8.821 0.029 25125
16556 1 25 . 1 1 14 14 SER N N 14 119.123 119.123 117.798 1.325 25125
16557 1 25 . 1 1 14 14 SER HA H 14 4.361 4.361 4.298 0.063 25125
16558 1 25 . 1 1 14 14 SER C C 14 176.404 176.404 176.640 -0.236 25125
16559 1 25 . 1 1 14 14 SER CA C 14 61.730 61.730 61.126 0.604 25125
16560 1 25 . 1 1 14 14 SER CB C 14 62.548 62.548 62.633 -0.085 25125
16561 1 25 . 1 1 14 14 SER H H 14 8.531 8.531 8.597 -0.066 25125
16562 1 25 . 1 1 15 15 ILE N N 15 123.637 123.637 122.298 1.339 25125
16563 1 25 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.974 -0.029 25125
16564 1 25 . 1 1 15 15 ILE C C 15 177.861 177.861 177.581 0.280 25125
16565 1 25 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.348 -2.148 25125
16566 1 25 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.027 -1.141 25125
16567 1 25 . 1 1 15 15 ILE H H 15 7.206 7.206 8.145 -0.939 25125
16568 1 25 . 1 1 16 16 ARG N N 16 116.694 116.694 119.049 -2.355 25125
16569 1 25 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.232 -0.509 25125
16570 1 25 . 1 1 16 16 ARG C C 16 177.448 177.448 178.172 -0.724 25125
16571 1 25 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.825 2.748 25125
16572 1 25 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.868 0.579 25125
16573 1 25 . 1 1 16 16 ARG H H 16 7.562 7.562 7.725 -0.163 25125
16574 1 25 . 1 1 17 17 TRP N N 17 116.848 116.848 123.307 -6.459 25125
16575 1 25 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.397 0.074 25125
16576 1 25 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.087 -0.647 25125
16577 1 25 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.677 -0.385 25125
16578 1 25 . 1 1 17 17 TRP H H 17 8.005 8.005 8.576 -0.571 25125
16579 1 25 . 1 1 18 18 VAL N N 18 116.964 116.964 116.050 0.914 25125
16580 1 25 . 1 1 18 18 VAL HA H 18 3.675 3.675 3.030 0.645 25125
16581 1 25 . 1 1 18 18 VAL C C 18 179.181 179.181 177.863 1.318 25125
16582 1 25 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.409 0.299 25125
16583 1 25 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.665 0.972 25125
16584 1 25 . 1 1 18 18 VAL H H 18 8.110 8.110 7.752 0.358 25125
16585 1 25 . 1 1 19 19 LEU N N 19 120.186 120.186 117.966 2.220 25125
16586 1 25 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.222 -0.147 25125
16587 1 25 . 1 1 19 19 LEU C C 19 177.778 177.778 178.688 -0.910 25125
16588 1 25 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.490 1.332 25125
16589 1 25 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.528 0.253 25125
16590 1 25 . 1 1 19 19 LEU H H 19 8.073 8.073 7.471 0.602 25125
16591 1 25 . 1 1 20 20 GLU N N 20 120.193 120.193 120.516 -0.323 25125
16592 1 25 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.134 -0.193 25125
16593 1 25 . 1 1 20 20 GLU C C 20 178.603 178.603 178.838 -0.235 25125
16594 1 25 . 1 1 20 20 GLU CA C 20 60.610 60.610 58.929 1.681 25125
16595 1 25 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.809 -0.721 25125
16596 1 25 . 1 1 20 20 GLU H H 20 8.387 8.387 8.006 0.381 25125
16597 1 25 . 1 1 21 21 ARG N N 21 116.076 116.076 117.828 -1.752 25125
16598 1 25 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.979 -0.086 25125
16599 1 25 . 1 1 21 21 ARG C C 21 179.676 179.676 178.331 1.345 25125
16600 1 25 . 1 1 21 21 ARG CA C 21 58.449 58.449 57.148 1.301 25125
16601 1 25 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.567 1.286 25125
16602 1 25 . 1 1 21 21 ARG H H 21 7.602 7.602 7.974 -0.372 25125
16603 1 25 . 1 1 22 22 ALA N N 22 122.405 122.405 121.610 0.795 25125
16604 1 25 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.084 0.013 25125
16605 1 25 . 1 1 22 22 ALA C C 22 180.501 180.501 178.915 1.586 25125
16606 1 25 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.788 -0.209 25125
16607 1 25 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.098 1.134 25125
16608 1 25 . 1 1 22 22 ALA H H 22 7.992 7.992 7.540 0.452 25125
16609 1 25 . 1 1 23 23 LEU N N 23 118.026 118.026 117.620 0.406 25125
16610 1 25 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.294 -0.293 25125
16611 1 25 . 1 1 23 23 LEU C C 23 178.878 178.878 179.031 -0.153 25125
16612 1 25 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.892 1.829 25125
16613 1 25 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.885 -2.230 25125
16614 1 25 . 1 1 23 23 LEU H H 23 8.825 8.825 8.005 0.820 25125
16615 1 25 . 1 1 24 24 ALA N N 24 122.159 122.159 122.477 -0.318 25125
16616 1 25 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.024 0.609 25125
16617 1 25 . 1 1 24 24 ALA C C 24 183.141 183.141 178.898 4.243 25125
16618 1 25 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.504 0.243 25125
16619 1 25 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.455 -0.753 25125
16620 1 25 . 1 1 24 24 ALA H H 24 8.125 8.125 7.887 0.238 25125
16621 1 25 . 1 1 25 25 GLY N N 25 106.891 106.891 105.337 1.554 25125
16622 1 25 . 1 1 25 25 GLY C C 25 174.286 174.286 174.124 0.162 25125
16623 1 25 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.955 1.466 25125
16624 1 25 . 1 1 25 25 GLY H H 25 7.870 7.870 7.812 0.058 25125
16625 1 25 . 1 1 26 26 ALA N N 26 121.819 121.819 122.665 -0.846 25125
16626 1 25 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.702 -0.203 25125
16627 1 25 . 1 1 26 26 ALA C C 26 176.953 176.953 177.223 -0.270 25125
16628 1 25 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.051 0.468 25125
16629 1 25 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.558 -1.836 25125
16630 1 25 . 1 1 26 26 ALA H H 26 7.285 7.285 7.122 0.163 25125
16631 1 25 . 1 1 27 27 GLY N N 27 106.197 106.197 106.912 -0.715 25125
16632 1 25 . 1 1 27 27 GLY C C 27 173.956 173.956 173.322 0.634 25125
16633 1 25 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.525 0.791 25125
16634 1 25 . 1 1 27 27 GLY H H 27 7.824 7.824 8.538 -0.714 25125
16635 1 25 . 1 1 28 28 LEU N N 28 120.291 120.291 117.490 2.801 25125
16636 1 25 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.770 -0.195 25125
16637 1 25 . 1 1 28 28 LEU C C 28 175.881 175.881 176.112 -0.231 25125
16638 1 25 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.365 0.278 25125
16639 1 25 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.703 -2.217 25125
16640 1 25 . 1 1 28 28 LEU H H 28 7.678 7.678 7.212 0.466 25125
16641 1 25 . 1 1 29 29 THR N N 29 118.040 118.040 116.374 1.666 25125
16642 1 25 . 1 1 29 29 THR HA H 29 4.335 4.335 4.335 0.000 25125
16643 1 25 . 1 1 29 29 THR C C 29 173.186 173.186 173.572 -0.386 25125
16644 1 25 . 1 1 29 29 THR CA C 29 62.479 62.479 63.271 -0.792 25125
16645 1 25 . 1 1 29 29 THR CB C 29 69.465 69.465 70.027 -0.562 25125
16646 1 25 . 1 1 29 29 THR H H 29 8.527 8.527 8.335 0.192 25125
16647 1 25 . 1 1 30 30 CYS N N 30 128.387 128.387 125.265 3.122 25125
16648 1 25 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.599 0.344 25125
16649 1 25 . 1 1 30 30 CYS C C 30 173.846 173.846 174.341 -0.495 25125
16650 1 25 . 1 1 30 30 CYS CA C 30 56.362 56.362 57.189 -0.827 25125
16651 1 25 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.654 -0.174 25125
16652 1 25 . 1 1 30 30 CYS H H 30 8.968 8.968 8.538 0.430 25125
16653 1 25 . 1 1 31 31 THR N N 31 126.481 126.481 125.364 1.117 25125
16654 1 25 . 1 1 31 31 THR HA H 31 4.433 4.433 4.363 0.070 25125
16655 1 25 . 1 1 31 31 THR C C 31 172.609 172.609 173.301 -0.692 25125
16656 1 25 . 1 1 31 31 THR CA C 31 61.951 61.951 61.419 0.532 25125
16657 1 25 . 1 1 31 31 THR CB C 31 70.567 70.567 69.981 0.586 25125
16658 1 25 . 1 1 31 31 THR H H 31 8.614 8.614 8.508 0.106 25125
16659 1 25 . 1 1 32 32 THR N N 32 116.418 116.418 119.220 -2.802 25125
16660 1 25 . 1 1 32 32 THR HA H 32 5.330 5.330 5.150 0.180 25125
16661 1 25 . 1 1 32 32 THR C C 32 172.306 172.306 173.420 -1.114 25125
16662 1 25 . 1 1 32 32 THR CA C 32 59.173 59.173 60.412 -1.239 25125
16663 1 25 . 1 1 32 32 THR CB C 32 70.917 70.917 69.694 1.223 25125
16664 1 25 . 1 1 32 32 THR H H 32 8.299 8.299 8.317 -0.018 25125
16665 1 25 . 1 1 33 33 PHE N N 33 118.067 118.067 124.161 -6.094 25125
16666 1 25 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.698 -0.055 25125
16667 1 25 . 1 1 33 33 PHE C C 33 174.341 174.341 175.940 -1.599 25125
16668 1 25 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.736 -0.203 25125
16669 1 25 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.512 0.797 25125
16670 1 25 . 1 1 33 33 PHE H H 33 8.890 8.890 8.666 0.224 25125
16671 1 25 . 1 1 34 34 GLU N N 34 118.499 118.499 116.725 1.774 25125
16672 1 25 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.717 -0.363 25125
16673 1 25 . 1 1 34 34 GLU C C 34 175.414 175.414 175.279 0.135 25125
16674 1 25 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.901 0.791 25125
16675 1 25 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.598 -0.131 25125
16676 1 25 . 1 1 34 34 GLU H H 34 9.023 9.023 9.144 -0.121 25125
16677 1 25 . 1 1 35 35 ASN N N 35 109.907 109.907 117.739 -7.832 25125
16678 1 25 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.884 -0.103 25125
16679 1 25 . 1 1 35 35 ASN C C 35 175.139 175.139 176.287 -1.148 25125
16680 1 25 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.067 -0.921 25125
16681 1 25 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.864 1.459 25125
16682 1 25 . 1 1 35 35 ASN H H 35 7.401 7.401 7.493 -0.092 25125
16683 1 25 . 1 1 36 36 GLY N N 36 106.739 106.739 113.852 -7.113 25125
16684 1 25 . 1 1 36 36 GLY C C 36 174.616 174.616 175.053 -0.437 25125
16685 1 25 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.269 -0.253 25125
16686 1 25 . 1 1 36 36 GLY H H 36 8.877 8.877 8.839 0.038 25125
16687 1 25 . 1 1 37 37 ASN N N 37 120.462 120.462 118.922 1.540 25125
16688 1 25 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.443 -0.081 25125
16689 1 25 . 1 1 37 37 ASN C C 37 178.686 178.686 177.184 1.502 25125
16690 1 25 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.528 1.004 25125
16691 1 25 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.542 -0.958 25125
16692 1 25 . 1 1 37 37 ASN H H 37 8.366 8.366 8.339 0.027 25125
16693 1 25 . 1 1 38 38 GLU N N 38 119.360 119.360 117.938 1.422 25125
16694 1 25 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.251 -0.181 25125
16695 1 25 . 1 1 38 38 GLU C C 38 179.263 179.263 177.611 1.652 25125
16696 1 25 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.800 0.832 25125
16697 1 25 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.045 0.487 25125
16698 1 25 . 1 1 38 38 GLU H H 38 7.990 7.990 7.972 0.018 25125
16699 1 25 . 1 1 39 39 VAL N N 39 119.259 119.259 119.404 -0.145 25125
16700 1 25 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.080 -0.312 25125
16701 1 25 . 1 1 39 39 VAL C C 39 176.431 176.431 177.228 -0.797 25125
16702 1 25 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.401 -0.458 25125
16703 1 25 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.864 -0.789 25125
16704 1 25 . 1 1 39 39 VAL H H 39 6.883 6.883 7.609 -0.726 25125
16705 1 25 . 1 1 40 40 LEU N N 40 119.627 119.627 121.382 -1.755 25125
16706 1 25 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.979 -0.052 25125
16707 1 25 . 1 1 40 40 LEU C C 40 179.538 179.538 178.052 1.486 25125
16708 1 25 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.147 -0.207 25125
16709 1 25 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.446 -0.378 25125
16710 1 25 . 1 1 40 40 LEU H H 40 7.692 7.692 7.985 -0.293 25125
16711 1 25 . 1 1 41 41 ALA N N 41 120.051 120.051 120.354 -0.303 25125
16712 1 25 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.121 0.019 25125
16713 1 25 . 1 1 41 41 ALA C C 41 180.528 180.528 179.684 0.844 25125
16714 1 25 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.681 -0.030 25125
16715 1 25 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.872 -0.006 25125
16716 1 25 . 1 1 41 41 ALA H H 41 7.553 7.553 7.912 -0.359 25125
16717 1 25 . 1 1 42 42 ALA N N 42 122.731 122.731 122.356 0.375 25125
16718 1 25 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.167 0.032 25125
16719 1 25 . 1 1 42 42 ALA C C 42 180.198 180.198 180.218 -0.020 25125
16720 1 25 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.624 0.408 25125
16721 1 25 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.974 1.425 25125
16722 1 25 . 1 1 42 42 ALA H H 42 7.604 7.604 7.237 0.367 25125
16723 1 25 . 1 1 43 43 LEU N N 43 119.131 119.131 118.419 0.712 25125
16724 1 25 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.008 1.198 25125
16725 1 25 . 1 1 43 43 LEU C C 43 177.421 177.421 178.935 -1.514 25125
16726 1 25 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.494 -1.949 25125
16727 1 25 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.055 1.549 25125
16728 1 25 . 1 1 43 43 LEU H H 43 8.288 8.288 8.083 0.205 25125
16729 1 25 . 1 1 44 44 ALA N N 44 119.065 119.065 118.222 0.843 25125
16730 1 25 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.201 0.028 25125
16731 1 25 . 1 1 44 44 ALA C C 44 178.686 178.686 178.311 0.375 25125
16732 1 25 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.653 0.585 25125
16733 1 25 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.487 0.029 25125
16734 1 25 . 1 1 44 44 ALA H H 44 7.302 7.302 7.754 -0.452 25125
16735 1 25 . 1 1 45 45 SER N N 45 108.656 108.656 114.625 -5.969 25125
16736 1 25 . 1 1 45 45 SER HA H 45 4.742 4.742 4.406 0.336 25125
16737 1 25 . 1 1 45 45 SER C C 45 173.296 173.296 176.027 -2.731 25125
16738 1 25 . 1 1 45 45 SER CA C 45 58.656 58.656 61.063 -2.407 25125
16739 1 25 . 1 1 45 45 SER CB C 45 65.407 65.407 63.883 1.524 25125
16740 1 25 . 1 1 45 45 SER H H 45 7.728 7.728 7.974 -0.246 25125
16741 1 25 . 1 1 46 46 LYS N N 46 123.016 123.016 116.561 6.455 25125
16742 1 25 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.657 -0.071 25125
16743 1 25 . 1 1 46 46 LYS C C 46 172.719 172.719 175.641 -2.922 25125
16744 1 25 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.303 -0.791 25125
16745 1 25 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.499 1.726 25125
16746 1 25 . 1 1 46 46 LYS H H 46 8.101 8.101 7.977 0.124 25125
16747 1 25 . 1 1 47 47 THR N N 47 111.780 111.780 113.520 -1.740 25125
16748 1 25 . 1 1 47 47 THR HA H 47 4.282 4.282 3.943 0.339 25125
16749 1 25 . 1 1 47 47 THR CA C 47 57.806 57.806 62.143 -4.337 25125
16750 1 25 . 1 1 47 47 THR CB C 47 70.594 70.594 67.600 2.994 25125
16751 1 25 . 1 1 47 47 THR H H 47 7.677 7.677 7.830 -0.153 25125
16752 1 25 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.985 -0.080 25125
16753 1 25 . 1 1 48 48 PRO C C 48 172.966 172.966 175.520 -2.554 25125
16754 1 25 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.010 -1.145 25125
16755 1 25 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.787 -1.510 25125
16756 1 25 . 1 1 49 49 ASP N N 49 115.035 115.035 117.216 -2.181 25125
16757 1 25 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.618 -0.174 25125
16758 1 25 . 1 1 49 49 ASP C C 49 175.634 175.634 175.257 0.377 25125
16759 1 25 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.036 1.411 25125
16760 1 25 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.886 -1.374 25125
16761 1 25 . 1 1 49 49 ASP H H 49 8.502 8.502 8.131 0.371 25125
16762 1 25 . 1 1 50 50 VAL N N 50 112.082 112.082 116.738 -4.656 25125
16763 1 25 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.405 -0.125 25125
16764 1 25 . 1 1 50 50 VAL C C 50 171.454 171.454 173.118 -1.664 25125
16765 1 25 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.603 -1.041 25125
16766 1 25 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.306 1.330 25125
16767 1 25 . 1 1 50 50 VAL H H 50 7.173 7.173 7.203 -0.030 25125
16768 1 25 . 1 1 51 51 LEU N N 51 128.247 128.247 127.639 0.608 25125
16769 1 25 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.189 0.130 25125
16770 1 25 . 1 1 51 51 LEU C C 51 173.104 173.104 175.377 -2.273 25125
16771 1 25 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.731 -0.513 25125
16772 1 25 . 1 1 51 51 LEU CB C 51 46.506 46.506 44.992 1.514 25125
16773 1 25 . 1 1 51 51 LEU H H 51 8.059 8.059 8.465 -0.406 25125
16774 1 25 . 1 1 52 52 LEU N N 52 128.407 128.407 121.124 7.283 25125
16775 1 25 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.111 0.390 25125
16776 1 25 . 1 1 52 52 LEU C C 52 175.414 175.414 175.604 -0.190 25125
16777 1 25 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.392 -0.069 25125
16778 1 25 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.548 0.973 25125
16779 1 25 . 1 1 52 52 LEU H H 52 9.242 9.242 8.366 0.876 25125
16780 1 25 . 1 1 53 53 SER N N 53 114.946 114.946 117.857 -2.911 25125
16781 1 25 . 1 1 53 53 SER HA H 53 5.595 5.595 4.876 0.719 25125
16782 1 25 . 1 1 53 53 SER C C 53 174.644 174.644 174.125 0.519 25125
16783 1 25 . 1 1 53 53 SER CA C 53 55.954 55.954 58.119 -2.165 25125
16784 1 25 . 1 1 53 53 SER CB C 53 66.473 66.473 65.330 1.143 25125
16785 1 25 . 1 1 53 53 SER H H 53 8.695 8.695 7.868 0.827 25125
16786 1 25 . 1 1 54 54 ASP N N 54 128.341 128.341 122.950 5.391 25125
16787 1 25 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.970 0.355 25125
16788 1 25 . 1 1 54 54 ASP C C 54 176.816 176.816 175.862 0.954 25125
16789 1 25 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.942 1.551 25125
16790 1 25 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.465 -0.137 25125
16791 1 25 . 1 1 54 54 ASP H H 54 7.886 7.886 7.994 -0.108 25125
16792 1 25 . 1 1 55 55 ILE N N 55 121.229 121.229 117.427 3.802 25125
16793 1 25 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.687 0.498 25125
16794 1 25 . 1 1 55 55 ILE C C 55 175.084 175.084 174.098 0.986 25125
16795 1 25 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.395 -0.853 25125
16796 1 25 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.147 2.882 25125
16797 1 25 . 1 1 55 55 ILE H H 55 8.722 8.722 8.363 0.359 25125
16798 1 25 . 1 1 56 56 ARG N N 56 124.188 124.188 122.201 1.987 25125
16799 1 25 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.545 -0.040 25125
16800 1 25 . 1 1 56 56 ARG C C 56 175.661 175.661 174.832 0.829 25125
16801 1 25 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.069 -0.627 25125
16802 1 25 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.920 -1.558 25125
16803 1 25 . 1 1 56 56 ARG H H 56 8.499 8.499 8.544 -0.045 25125
16804 1 25 . 1 1 57 57 MET N N 57 122.581 122.581 117.131 5.450 25125
16805 1 25 . 1 1 57 57 MET HA H 57 4.821 4.821 5.075 -0.254 25125
16806 1 25 . 1 1 57 57 MET CA C 57 53.132 53.132 52.355 0.777 25125
16807 1 25 . 1 1 57 57 MET CB C 57 33.445 33.445 33.806 -0.361 25125
16808 1 25 . 1 1 57 57 MET H H 57 7.956 7.956 7.876 0.080 25125
16809 1 25 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.400 -0.007 25125
16810 1 25 . 1 1 58 58 PRO C C 58 177.806 177.806 178.122 -0.316 25125
16811 1 25 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.302 -0.803 25125
16812 1 25 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.935 -0.128 25125
16813 1 25 . 1 1 59 59 GLY N N 59 111.082 111.082 107.807 3.275 25125
16814 1 25 . 1 1 59 59 GLY C C 59 173.626 173.626 174.272 -0.646 25125
16815 1 25 . 1 1 59 59 GLY CA C 59 45.590 45.590 44.754 0.836 25125
16816 1 25 . 1 1 59 59 GLY H H 59 8.653 8.653 8.451 0.202 25125
16817 1 25 . 1 1 60 60 MET N N 60 120.052 120.052 120.319 -0.267 25125
16818 1 25 . 1 1 60 60 MET HA H 60 4.525 4.525 4.315 0.210 25125
16819 1 25 . 1 1 60 60 MET C C 60 173.956 173.956 176.522 -2.566 25125
16820 1 25 . 1 1 60 60 MET CA C 60 55.047 55.047 54.952 0.095 25125
16821 1 25 . 1 1 60 60 MET CB C 60 34.506 34.506 33.624 0.882 25125
16822 1 25 . 1 1 60 60 MET H H 60 7.968 7.968 8.163 -0.195 25125
16823 1 25 . 1 1 61 61 ASP N N 61 121.306 121.306 122.888 -1.582 25125
16824 1 25 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.468 0.236 25125
16825 1 25 . 1 1 61 61 ASP C C 61 176.761 176.761 177.345 -0.584 25125
16826 1 25 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.944 -2.215 25125
16827 1 25 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.557 -0.488 25125
16828 1 25 . 1 1 61 61 ASP H H 61 8.379 8.379 8.672 -0.293 25125
16829 1 25 . 1 1 62 62 GLY N N 62 110.874 110.874 106.832 4.042 25125
16830 1 25 . 1 1 62 62 GLY C C 62 175.194 175.194 175.413 -0.219 25125
16831 1 25 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.690 1.411 25125
16832 1 25 . 1 1 62 62 GLY H H 62 8.707 8.707 8.075 0.632 25125
16833 1 25 . 1 1 63 63 LEU N N 63 121.299 121.299 120.268 1.031 25125
16834 1 25 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.452 -0.275 25125
16835 1 25 . 1 1 63 63 LEU C C 63 178.356 178.356 178.173 0.183 25125
16836 1 25 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.527 1.351 25125
16837 1 25 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.313 0.924 25125
16838 1 25 . 1 1 63 63 LEU H H 63 8.045 8.045 7.883 0.162 25125
16839 1 25 . 1 1 64 64 ALA N N 64 122.741 122.741 122.683 0.058 25125
16840 1 25 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.109 -0.047 25125
16841 1 25 . 1 1 64 64 ALA C C 64 180.556 180.556 179.220 1.336 25125
16842 1 25 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.064 -0.449 25125
16843 1 25 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.725 0.275 25125
16844 1 25 . 1 1 64 64 ALA H H 64 7.859 7.859 8.260 -0.401 25125
16845 1 25 . 1 1 65 65 LEU N N 65 120.287 120.287 115.044 5.243 25125
16846 1 25 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.311 -0.249 25125
16847 1 25 . 1 1 65 65 LEU C C 65 178.191 178.191 178.301 -0.110 25125
16848 1 25 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.489 1.530 25125
16849 1 25 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.228 -0.990 25125
16850 1 25 . 1 1 65 65 LEU H H 65 8.022 8.022 7.645 0.377 25125
16851 1 25 . 1 1 66 66 LEU N N 66 118.738 118.738 120.148 -1.410 25125
16852 1 25 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.178 -0.320 25125
16853 1 25 . 1 1 66 66 LEU C C 66 178.631 178.631 178.796 -0.165 25125
16854 1 25 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.580 1.766 25125
16855 1 25 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.014 0.224 25125
16856 1 25 . 1 1 66 66 LEU H H 66 8.101 8.101 7.754 0.347 25125
16857 1 25 . 1 1 67 67 LYS N N 67 117.842 117.842 116.438 1.404 25125
16858 1 25 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.074 -0.092 25125
16859 1 25 . 1 1 67 67 LYS C C 67 179.263 179.263 178.959 0.304 25125
16860 1 25 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.521 1.276 25125
16861 1 25 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.846 0.360 25125
16862 1 25 . 1 1 67 67 LYS H H 67 8.010 8.010 8.387 -0.377 25125
16863 1 25 . 1 1 68 68 GLN N N 68 118.875 118.875 118.140 0.735 25125
16864 1 25 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.279 -0.223 25125
16865 1 25 . 1 1 68 68 GLN C C 68 179.071 179.071 177.711 1.360 25125
16866 1 25 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.188 0.885 25125
16867 1 25 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.680 -0.069 25125
16868 1 25 . 1 1 68 68 GLN H H 68 7.809 7.809 7.506 0.303 25125
16869 1 25 . 1 1 69 69 ILE N N 69 120.377 120.377 121.138 -0.761 25125
16870 1 25 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.909 -0.379 25125
16871 1 25 . 1 1 69 69 ILE C C 69 177.421 177.421 177.886 -0.465 25125
16872 1 25 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.649 1.229 25125
16873 1 25 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.717 -0.133 25125
16874 1 25 . 1 1 69 69 ILE H H 69 8.481 8.481 7.567 0.914 25125
16875 1 25 . 1 1 70 70 LYS N N 70 117.873 117.873 117.343 0.530 25125
16876 1 25 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.144 -0.184 25125
16877 1 25 . 1 1 70 70 LYS C C 70 178.053 178.053 178.255 -0.202 25125
16878 1 25 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.603 -1.515 25125
16879 1 25 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.897 -0.685 25125
16880 1 25 . 1 1 70 70 LYS H H 70 8.220 8.220 7.787 0.432 25125
16881 1 25 . 1 1 71 71 GLN N N 71 116.315 116.315 117.621 -1.306 25125
16882 1 25 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.209 -0.217 25125
16883 1 25 . 1 1 71 71 GLN C C 71 177.366 177.366 177.938 -0.572 25125
16884 1 25 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.721 0.469 25125
16885 1 25 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.812 -0.147 25125
16886 1 25 . 1 1 71 71 GLN H H 71 7.601 7.601 7.893 -0.292 25125
16887 1 25 . 1 1 72 72 ARG N N 72 116.530 116.530 116.974 -0.444 25125
16888 1 25 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.059 -0.029 25125
16889 1 25 . 1 1 72 72 ARG C C 72 175.826 175.826 176.068 -0.242 25125
16890 1 25 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.290 -0.068 25125
16891 1 25 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.610 0.192 25125
16892 1 25 . 1 1 72 72 ARG H H 72 7.301 7.301 8.233 -0.932 25125
16893 1 25 . 1 1 73 73 HIS N N 73 116.755 116.755 116.046 0.709 25125
16894 1 25 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.887 0.073 25125
16895 1 25 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.142 0.076 25125
16896 1 25 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.390 0.172 25125
16897 1 25 . 1 1 73 73 HIS H H 73 8.331 8.331 7.868 0.463 25125
16898 1 25 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.318 0.181 25125
16899 1 25 . 1 1 74 74 PRO C C 74 178.466 178.466 177.576 0.890 25125
16900 1 25 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.273 -0.160 25125
16901 1 25 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.198 -0.103 25125
16902 1 25 . 1 1 75 75 MET N N 75 114.814 114.814 114.072 0.742 25125
16903 1 25 . 1 1 75 75 MET HA H 75 4.567 4.567 4.476 0.091 25125
16904 1 25 . 1 1 75 75 MET C C 75 176.046 176.046 175.785 0.261 25125
16905 1 25 . 1 1 75 75 MET CA C 75 54.266 54.266 55.517 -1.251 25125
16906 1 25 . 1 1 75 75 MET CB C 75 31.288 31.288 31.986 -0.698 25125
16907 1 25 . 1 1 75 75 MET H H 75 8.623 8.623 7.691 0.932 25125
16908 1 25 . 1 1 76 76 LEU N N 76 125.533 125.533 123.270 2.263 25125
16909 1 25 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.977 -0.672 25125
16910 1 25 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.696 1.416 25125
16911 1 25 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.782 -0.097 25125
16912 1 25 . 1 1 76 76 LEU H H 76 7.337 7.337 7.188 0.149 25125
16913 1 25 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.502 -0.056 25125
16914 1 25 . 1 1 77 77 PRO C C 77 174.974 174.974 175.148 -0.174 25125
16915 1 25 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.356 0.471 25125
16916 1 25 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.290 -0.568 25125
16917 1 25 . 1 1 78 78 VAL N N 78 123.779 123.779 119.710 4.069 25125
16918 1 25 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.440 0.584 25125
16919 1 25 . 1 1 78 78 VAL C C 78 175.441 175.441 175.057 0.384 25125
16920 1 25 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.885 -0.692 25125
16921 1 25 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.057 -1.763 25125
16922 1 25 . 1 1 78 78 VAL H H 78 8.317 8.317 8.108 0.209 25125
16923 1 25 . 1 1 79 79 ILE N N 79 128.334 128.334 121.560 6.774 25125
16924 1 25 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.781 -0.300 25125
16925 1 25 . 1 1 79 79 ILE C C 79 174.479 174.479 174.834 -0.355 25125
16926 1 25 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.350 -0.828 25125
16927 1 25 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.787 -1.824 25125
16928 1 25 . 1 1 79 79 ILE H H 79 9.292 9.292 8.192 1.100 25125
16929 1 25 . 1 1 80 80 ILE N N 80 127.023 127.023 127.173 -0.150 25125
16930 1 25 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.278 0.581 25125
16931 1 25 . 1 1 80 80 ILE C C 80 175.029 175.029 175.119 -0.090 25125
16932 1 25 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.075 -1.918 25125
16933 1 25 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.174 -1.230 25125
16934 1 25 . 1 1 80 80 ILE H H 80 7.938 7.938 8.965 -1.027 25125
16935 1 25 . 1 1 81 81 MET N N 81 127.255 127.255 124.518 2.737 25125
16936 1 25 . 1 1 81 81 MET HA H 81 5.521 5.521 5.323 0.198 25125
16937 1 25 . 1 1 81 81 MET C C 81 174.534 174.534 175.433 -0.899 25125
16938 1 25 . 1 1 81 81 MET CA C 81 53.513 53.513 54.839 -1.325 25125
16939 1 25 . 1 1 81 81 MET CB C 81 35.483 35.483 36.327 -0.844 25125
16940 1 25 . 1 1 81 81 MET H H 81 8.801 8.801 8.600 0.201 25125
16941 1 25 . 1 1 82 82 THR N N 82 112.857 112.857 116.136 -3.279 25125
16942 1 25 . 1 1 82 82 THR HA H 82 4.914 4.914 4.473 0.441 25125
16943 1 25 . 1 1 82 82 THR C C 82 172.581 172.581 173.194 -0.613 25125
16944 1 25 . 1 1 82 82 THR CA C 82 59.561 59.561 63.160 -3.599 25125
16945 1 25 . 1 1 82 82 THR CB C 82 69.989 69.989 70.198 -0.209 25125
16946 1 25 . 1 1 82 82 THR H H 82 7.623 7.623 8.499 -0.876 25125
16947 1 25 . 1 1 83 83 ALA N N 83 129.541 129.541 123.025 6.516 25125
16948 1 25 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.953 0.755 25125
16949 1 25 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.416 -0.878 25125
16950 1 25 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.766 1.381 25125
16951 1 25 . 1 1 83 83 ALA H H 83 9.149 9.149 7.497 1.652 25125
16952 1 25 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.168 0.104 25125
16953 1 25 . 1 1 84 84 HIS CA C 84 59.700 59.700 56.058 3.642 25125
16954 1 25 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.620 1.398 25125
16955 1 25 . 1 1 85 85 SER N N 85 112.633 112.633 116.615 -3.982 25125
16956 1 25 . 1 1 85 85 SER HA H 85 4.198 4.198 4.092 0.106 25125
16957 1 25 . 1 1 85 85 SER C C 85 174.506 174.506 173.708 0.798 25125
16958 1 25 . 1 1 85 85 SER CA C 85 59.823 59.823 60.318 -0.495 25125
16959 1 25 . 1 1 85 85 SER CB C 85 62.693 62.693 62.880 -0.187 25125
16960 1 25 . 1 1 85 85 SER H H 85 8.224 8.224 8.712 -0.488 25125
16961 1 25 . 1 1 86 86 ASP N N 86 120.886 120.886 123.349 -2.463 25125
16962 1 25 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.476 0.460 25125
16963 1 25 . 1 1 86 86 ASP C C 86 175.881 175.881 176.525 -0.644 25125
16964 1 25 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.366 -1.432 25125
16965 1 25 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.146 0.857 25125
16966 1 25 . 1 1 86 86 ASP H H 86 7.608 7.608 8.120 -0.512 25125
16967 1 25 . 1 1 87 87 LEU N N 87 121.913 121.913 121.665 0.248 25125
16968 1 25 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.779 0.140 25125
16969 1 25 . 1 1 87 87 LEU C C 87 177.586 177.586 177.729 -0.143 25125
16970 1 25 . 1 1 87 87 LEU CA C 87 57.837 57.837 57.895 -0.058 25125
16971 1 25 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.816 0.499 25125
16972 1 25 . 1 1 87 87 LEU H H 87 7.498 7.498 7.582 -0.084 25125
16973 1 25 . 1 1 88 88 ASP N N 88 117.621 117.621 117.932 -0.311 25125
16974 1 25 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.224 0.048 25125
16975 1 25 . 1 1 88 88 ASP C C 88 178.246 178.246 177.238 1.008 25125
16976 1 25 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.203 -0.393 25125
16977 1 25 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.729 -0.595 25125
16978 1 25 . 1 1 88 88 ASP H H 88 8.322 8.322 8.561 -0.239 25125
16979 1 25 . 1 1 89 89 ALA N N 89 122.874 122.874 120.772 2.102 25125
16980 1 25 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.310 -0.216 25125
16981 1 25 . 1 1 89 89 ALA C C 89 179.346 179.346 179.198 0.148 25125
16982 1 25 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.246 -0.093 25125
16983 1 25 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.896 -0.635 25125
16984 1 25 . 1 1 89 89 ALA H H 89 7.838 7.838 7.215 0.623 25125
16985 1 25 . 1 1 90 90 ALA N N 90 121.673 121.673 121.449 0.224 25125
16986 1 25 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.102 -0.169 25125
16987 1 25 . 1 1 90 90 ALA C C 90 178.686 178.686 180.077 -1.391 25125
16988 1 25 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.645 0.018 25125
16989 1 25 . 1 1 90 90 ALA CB C 90 18.382 18.382 17.970 0.412 25125
16990 1 25 . 1 1 90 90 ALA H H 90 7.896 7.896 7.555 0.341 25125
16991 1 25 . 1 1 91 91 VAL N N 91 117.749 117.749 119.655 -1.906 25125
16992 1 25 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.000 -0.388 25125
16993 1 25 . 1 1 91 91 VAL C C 91 178.411 178.411 178.527 -0.116 25125
16994 1 25 . 1 1 91 91 VAL CA C 91 65.181 65.181 67.127 -1.946 25125
16995 1 25 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.343 0.294 25125
16996 1 25 . 1 1 91 91 VAL H H 91 8.098 8.098 8.764 -0.666 25125
16997 1 25 . 1 1 92 92 SER N N 92 114.942 114.942 114.902 0.040 25125
16998 1 25 . 1 1 92 92 SER HA H 92 4.231 4.231 4.371 -0.140 25125
16999 1 25 . 1 1 92 92 SER C C 92 175.826 175.826 176.360 -0.534 25125
17000 1 25 . 1 1 92 92 SER CA C 92 60.649 60.649 60.701 -0.052 25125
17001 1 25 . 1 1 92 92 SER CB C 92 63.063 63.063 63.224 -0.161 25125
17002 1 25 . 1 1 92 92 SER H H 92 7.825 7.825 7.794 0.031 25125
17003 1 25 . 1 1 93 93 ALA N N 93 122.580 122.580 124.356 -1.776 25125
17004 1 25 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.136 -0.079 25125
17005 1 25 . 1 1 93 93 ALA C C 93 178.906 178.906 179.478 -0.572 25125
17006 1 25 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.783 -0.466 25125
17007 1 25 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.348 -0.051 25125
17008 1 25 . 1 1 93 93 ALA H H 93 7.861 7.861 7.654 0.207 25125
17009 1 25 . 1 1 94 94 TYR N N 94 118.447 118.447 118.442 0.005 25125
17010 1 25 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.546 -0.054 25125
17011 1 25 . 1 1 94 94 TYR C C 94 177.393 177.393 176.873 0.520 25125
17012 1 25 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.473 -0.222 25125
17013 1 25 . 1 1 94 94 TYR CB C 94 38.434 38.434 39.718 -1.284 25125
17014 1 25 . 1 1 94 94 TYR H H 94 8.150 8.150 8.129 0.021 25125
17015 1 25 . 1 1 95 95 GLN N N 95 119.787 119.787 118.508 1.279 25125
17016 1 25 . 1 1 95 95 GLN HA H 95 4.043 4.043 3.977 0.066 25125
17017 1 25 . 1 1 95 95 GLN C C 95 176.981 176.981 177.980 -0.999 25125
17018 1 25 . 1 1 95 95 GLN CA C 95 57.466 57.466 57.333 0.133 25125
17019 1 25 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.842 0.247 25125
17020 1 25 . 1 1 95 95 GLN H H 95 8.271 8.271 7.650 0.621 25125
17021 1 25 . 1 1 96 96 GLN N N 96 117.878 117.878 120.186 -2.308 25125
17022 1 25 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.154 0.191 25125
17023 1 25 . 1 1 96 96 GLN C C 96 175.854 175.854 175.457 0.397 25125
17024 1 25 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.597 0.574 25125
17025 1 25 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.214 1.261 25125
17026 1 25 . 1 1 96 96 GLN H H 96 7.944 7.944 7.856 0.088 25125
17027 1 25 . 1 1 97 97 GLY N N 97 106.670 106.670 105.092 1.578 25125
17028 1 25 . 1 1 97 97 GLY C C 97 174.231 174.231 172.768 1.463 25125
17029 1 25 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.775 0.711 25125
17030 1 25 . 1 1 97 97 GLY H H 97 7.949 7.949 7.904 0.045 25125
17031 1 25 . 1 1 98 98 ALA N N 98 122.898 122.898 121.854 1.044 25125
17032 1 25 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.511 -0.136 25125
17033 1 25 . 1 1 98 98 ALA C C 98 175.991 175.991 175.125 0.866 25125
17034 1 25 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.993 2.175 25125
17035 1 25 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.577 -1.608 25125
17036 1 25 . 1 1 98 98 ALA H H 98 7.808 7.808 7.139 0.669 25125
17037 1 25 . 1 1 99 99 PHE N N 99 123.484 123.484 118.658 4.826 25125
17038 1 25 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.492 -0.142 25125
17039 1 25 . 1 1 99 99 PHE CA C 99 59.456 59.456 56.946 2.510 25125
17040 1 25 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.432 -0.992 25125
17041 1 25 . 1 1 99 99 PHE H H 99 7.704 7.704 8.046 -0.342 25125
17042 1 25 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.905 0.599 25125
17043 1 25 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.768 -1.286 25125
17044 1 25 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.643 3.557 25125
17045 1 25 . 1 1 101 101 TYR N N 101 118.148 118.148 121.917 -3.769 25125
17046 1 25 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.521 0.927 25125
17047 1 25 . 1 1 101 101 TYR C C 101 173.159 173.159 174.615 -1.456 25125
17048 1 25 . 1 1 101 101 TYR CA C 101 55.987 55.987 55.949 0.038 25125
17049 1 25 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.994 2.904 25125
17050 1 25 . 1 1 101 101 TYR H H 101 9.546 9.546 7.398 2.148 25125
17051 1 25 . 1 1 102 102 LEU N N 102 124.100 124.100 120.968 3.132 25125
17052 1 25 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.092 -0.372 25125
17053 1 25 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.279 -0.779 25125
17054 1 25 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.061 -0.000 25125
17055 1 25 . 1 1 102 102 LEU H H 102 8.901 8.901 8.966 -0.065 25125
17056 1 25 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.480 0.413 25125
17057 1 25 . 1 1 103 103 PRO C C 103 175.524 175.524 175.765 -0.241 25125
17058 1 25 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.364 -0.479 25125
17059 1 25 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.340 -0.534 25125
17060 1 25 . 1 1 104 104 LYS N N 104 118.848 118.848 122.287 -3.439 25125
17061 1 25 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.928 -0.415 25125
17062 1 25 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.718 -0.500 25125
17063 1 25 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.415 1.329 25125
17064 1 25 . 1 1 104 104 LYS H H 104 8.279 8.279 8.496 -0.217 25125
17065 1 25 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.358 -0.059 25125
17066 1 25 . 1 1 105 105 PRO C C 105 175.001 175.001 175.680 -0.679 25125
17067 1 25 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.786 -0.392 25125
17068 1 25 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.087 2.008 25125
17069 1 25 . 1 1 106 106 PHE N N 106 116.607 116.607 114.484 2.123 25125
17070 1 25 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.746 0.424 25125
17071 1 25 . 1 1 106 106 PHE C C 106 175.221 175.221 174.127 1.094 25125
17072 1 25 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.725 -2.290 25125
17073 1 25 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.393 0.007 25125
17074 1 25 . 1 1 106 106 PHE H H 106 7.457 7.457 7.588 -0.131 25125
17075 1 25 . 1 1 107 107 ASP N N 107 122.214 122.214 122.549 -0.335 25125
17076 1 25 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.987 -0.155 25125
17077 1 25 . 1 1 107 107 ASP C C 107 177.778 177.778 177.161 0.617 25125
17078 1 25 . 1 1 107 107 ASP CA C 107 53.242 53.242 54.167 -0.925 25125
17079 1 25 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.576 1.021 25125
17080 1 25 . 1 1 107 107 ASP H H 107 9.022 9.022 8.652 0.370 25125
17081 1 25 . 1 1 108 108 ILE N N 108 127.706 127.706 125.577 2.129 25125
17082 1 25 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.732 0.233 25125
17083 1 25 . 1 1 108 108 ILE C C 108 176.046 176.046 177.428 -1.382 25125
17084 1 25 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.983 -1.994 25125
17085 1 25 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.063 -0.309 25125
17086 1 25 . 1 1 108 108 ILE H H 108 8.860 8.860 8.831 0.029 25125
17087 1 25 . 1 1 109 109 ASP N N 109 120.058 120.058 119.300 0.758 25125
17088 1 25 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.341 0.047 25125
17089 1 25 . 1 1 109 109 ASP C C 109 179.786 179.786 178.874 0.912 25125
17090 1 25 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.732 -0.238 25125
17091 1 25 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.457 -0.403 25125
17092 1 25 . 1 1 109 109 ASP H H 109 8.079 8.079 8.546 -0.467 25125
17093 1 25 . 1 1 110 110 GLU N N 110 121.559 121.559 118.986 2.573 25125
17094 1 25 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.203 -0.135 25125
17095 1 25 . 1 1 110 110 GLU C C 110 179.043 179.043 178.486 0.557 25125
17096 1 25 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.410 0.416 25125
17097 1 25 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.869 -0.526 25125
17098 1 25 . 1 1 110 110 GLU H H 110 8.012 8.012 8.088 -0.076 25125
17099 1 25 . 1 1 111 111 ALA N N 111 122.267 122.267 123.407 -1.140 25125
17100 1 25 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.959 -0.205 25125
17101 1 25 . 1 1 111 111 ALA C C 111 178.493 178.493 179.595 -1.102 25125
17102 1 25 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.157 0.015 25125
17103 1 25 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.154 0.228 25125
17104 1 25 . 1 1 111 111 ALA H H 111 7.897 7.897 7.803 0.094 25125
17105 1 25 . 1 1 112 112 VAL N N 112 116.527 116.527 118.043 -1.516 25125
17106 1 25 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.513 -0.346 25125
17107 1 25 . 1 1 112 112 VAL C C 112 177.201 177.201 177.733 -0.532 25125
17108 1 25 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.687 0.458 25125
17109 1 25 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.663 -0.112 25125
17110 1 25 . 1 1 112 112 VAL H H 112 8.018 8.018 8.511 -0.493 25125
17111 1 25 . 1 1 113 113 ALA N N 113 119.895 119.895 120.421 -0.526 25125
17112 1 25 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.201 -0.063 25125
17113 1 25 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.090 0.742 25125
17114 1 25 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.695 -0.823 25125
17115 1 25 . 1 1 113 113 ALA H H 113 7.673 7.673 7.448 0.225 25125
17116 1 25 . 1 1 114 114 LEU N N 114 120.650 120.650 121.062 -0.412 25125
17117 1 25 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.111 -0.028 25125
17118 1 25 . 1 1 114 114 LEU C C 114 178.466 178.466 178.695 -0.229 25125
17119 1 25 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.701 0.319 25125
17120 1 25 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.032 -0.199 25125
17121 1 25 . 1 1 114 114 LEU H H 114 7.840 7.840 7.751 0.089 25125
17122 1 25 . 1 1 115 115 VAL N N 115 119.480 119.480 118.723 0.757 25125
17123 1 25 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.417 -0.205 25125
17124 1 25 . 1 1 115 115 VAL C C 115 177.448 177.448 176.963 0.485 25125
17125 1 25 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.389 0.812 25125
17126 1 25 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.895 -1.224 25125
17127 1 25 . 1 1 115 115 VAL H H 115 7.824 7.824 8.026 -0.202 25125
17128 1 25 . 1 1 116 116 GLU N N 116 117.473 117.473 118.554 -1.081 25125
17129 1 25 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.871 -0.082 25125
17130 1 25 . 1 1 116 116 GLU C C 116 179.566 179.566 178.320 1.246 25125
17131 1 25 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.649 0.281 25125
17132 1 25 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.505 -0.409 25125
17133 1 25 . 1 1 116 116 GLU H H 116 8.465 8.465 7.865 0.600 25125
17134 1 25 . 1 1 117 117 ARG N N 117 120.128 120.128 119.019 1.109 25125
17135 1 25 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.143 -0.079 25125
17136 1 25 . 1 1 117 117 ARG C C 117 178.438 178.438 177.554 0.884 25125
17137 1 25 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.615 0.663 25125
17138 1 25 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.117 0.160 25125
17139 1 25 . 1 1 117 117 ARG H H 117 8.012 8.012 7.577 0.435 25125
17140 1 25 . 1 1 118 118 ALA N N 118 122.270 122.270 121.110 1.160 25125
17141 1 25 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.990 -0.534 25125
17142 1 25 . 1 1 118 118 ALA C C 118 178.741 178.741 178.753 -0.012 25125
17143 1 25 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.982 0.596 25125
17144 1 25 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.930 -0.772 25125
17145 1 25 . 1 1 118 118 ALA H H 118 7.958 7.958 7.487 0.471 25125
17146 1 25 . 1 1 119 119 ILE N N 119 115.269 115.269 118.239 -2.970 25125
17147 1 25 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.263 -0.535 25125
17148 1 25 . 1 1 119 119 ILE C C 119 177.366 177.366 178.714 -1.348 25125
17149 1 25 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.359 -0.690 25125
17150 1 25 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.581 -0.783 25125
17151 1 25 . 1 1 119 119 ILE H H 119 7.753 7.753 7.881 -0.128 25125
17152 1 25 . 1 1 120 120 SER N N 120 115.135 115.135 115.522 -0.387 25125
17153 1 25 . 1 1 120 120 SER HA H 120 4.275 4.275 4.136 0.139 25125
17154 1 25 . 1 1 120 120 SER C C 120 175.084 175.084 176.549 -1.465 25125
17155 1 25 . 1 1 120 120 SER CA C 120 59.816 59.816 61.432 -1.616 25125
17156 1 25 . 1 1 120 120 SER CB C 120 63.380 63.380 62.857 0.523 25125
17157 1 25 . 1 1 120 120 SER H H 120 7.816 7.816 8.318 -0.502 25125
17158 1 25 . 1 1 121 121 HIS N N 121 119.908 119.908 122.130 -2.222 25125
17159 1 25 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.271 0.151 25125
17160 1 25 . 1 1 121 121 HIS C C 121 175.029 175.029 177.695 -2.666 25125
17161 1 25 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.446 -2.210 25125
17162 1 25 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.657 -0.229 25125
17163 1 25 . 1 1 121 121 HIS H H 121 7.910 7.910 7.890 0.020 25125
17164 1 25 . 1 1 122 122 TYR N N 122 118.880 118.880 119.461 -0.581 25125
17165 1 25 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.346 0.080 25125
17166 1 25 . 1 1 122 122 TYR C C 122 175.276 175.276 177.415 -2.139 25125
17167 1 25 . 1 1 122 122 TYR CA C 122 58.449 58.449 61.724 -3.275 25125
17168 1 25 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.521 0.083 25125
17169 1 25 . 1 1 122 122 TYR H H 122 7.766 7.766 8.217 -0.451 25125
17170 1 25 . 1 1 123 123 GLN N N 123 121.479 121.479 117.618 3.861 25125
17171 1 25 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.396 -0.126 25125
17172 1 25 . 1 1 123 123 GLN C C 123 174.534 174.534 175.521 -0.987 25125
17173 1 25 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.240 0.272 25125
17174 1 25 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.326 1.442 25125
17175 1 25 . 1 1 123 123 GLN H H 123 7.878 7.878 8.116 -0.238 25125
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 113 2.983 -0.550 2.945 25125
2 1 1 "Average Difference" HA 129 0.354 -0.043 0.353 25125
3 1 1 "Average Difference" C 109 1.062 0.113 1.061 25125
4 1 1 "Average Difference" CA 122 1.248 0.101 1.249 25125
5 1 1 "Average Difference" CB 115 1.143 -0.160 1.137 25125
6 1 1 "Average Difference" HN 113 0.554 -0.123 0.542 25125
7 1 2 "Average Difference" N 113 3.164 -0.429 3.148 25125
8 1 2 "Average Difference" HA 129 0.363 -0.027 0.364 25125
9 1 2 "Average Difference" C 109 1.149 0.145 1.145 25125
10 1 2 "Average Difference" CA 122 1.365 0.195 1.357 25125
11 1 2 "Average Difference" CB 115 1.137 -0.076 1.139 25125
12 1 2 "Average Difference" HN 113 0.567 -0.120 0.557 25125
13 1 3 "Average Difference" N 113 2.945 -0.624 2.891 25125
14 1 3 "Average Difference" HA 129 0.355 -0.057 0.352 25125
15 1 3 "Average Difference" C 109 0.997 0.130 0.993 25125
16 1 3 "Average Difference" CA 122 1.304 0.158 1.299 25125
17 1 3 "Average Difference" CB 115 1.145 -0.132 1.143 25125
18 1 3 "Average Difference" HN 113 0.539 -0.121 0.528 25125
19 1 4 "Average Difference" N 113 3.027 -0.415 3.012 25125
20 1 4 "Average Difference" HA 129 0.364 -0.027 0.364 25125
21 1 4 "Average Difference" C 109 1.065 0.092 1.066 25125
22 1 4 "Average Difference" CA 122 1.250 0.100 1.251 25125
23 1 4 "Average Difference" CB 115 1.134 -0.064 1.137 25125
24 1 4 "Average Difference" HN 113 0.523 -0.099 0.516 25125
25 1 5 "Average Difference" N 113 2.854 -0.413 2.837 25125
26 1 5 "Average Difference" HA 129 0.338 -0.031 0.338 25125
27 1 5 "Average Difference" C 109 1.121 0.164 1.114 25125
28 1 5 "Average Difference" CA 122 1.226 0.166 1.220 25125
29 1 5 "Average Difference" CB 115 1.157 -0.120 1.156 25125
30 1 5 "Average Difference" HN 113 0.576 -0.111 0.568 25125
31 1 6 "Average Difference" N 113 2.947 -0.617 2.894 25125
32 1 6 "Average Difference" HA 129 0.352 -0.050 0.350 25125
33 1 6 "Average Difference" C 109 1.026 0.087 1.027 25125
34 1 6 "Average Difference" CA 122 1.268 0.118 1.268 25125
35 1 6 "Average Difference" CB 115 1.136 -0.142 1.132 25125
36 1 6 "Average Difference" HN 113 0.543 -0.112 0.534 25125
37 1 7 "Average Difference" N 113 3.078 -0.494 3.051 25125
38 1 7 "Average Difference" HA 129 0.354 -0.036 0.353 25125
39 1 7 "Average Difference" C 109 1.094 0.153 1.088 25125
40 1 7 "Average Difference" CA 122 1.288 0.128 1.287 25125
41 1 7 "Average Difference" CB 115 1.133 -0.092 1.134 25125
42 1 7 "Average Difference" HN 113 0.543 -0.095 0.537 25125
43 1 8 "Average Difference" N 113 2.989 -0.553 2.951 25125
44 1 8 "Average Difference" HA 129 0.354 -0.034 0.354 25125
45 1 8 "Average Difference" C 109 1.041 0.041 1.045 25125
46 1 8 "Average Difference" CA 122 1.275 0.136 1.273 25125
47 1 8 "Average Difference" CB 115 1.184 -0.096 1.185 25125
48 1 8 "Average Difference" HN 113 0.548 -0.108 0.540 25125
49 1 9 "Average Difference" N 113 3.092 -0.436 3.075 25125
50 1 9 "Average Difference" HA 129 0.343 -0.027 0.344 25125
51 1 9 "Average Difference" C 109 1.077 0.168 1.069 25125
52 1 9 "Average Difference" CA 122 1.208 0.172 1.200 25125
53 1 9 "Average Difference" CB 115 1.081 -0.136 1.077 25125
54 1 9 "Average Difference" HN 113 0.544 -0.142 0.527 25125
55 1 10 "Average Difference" N 113 2.971 -0.502 2.942 25125
56 1 10 "Average Difference" HA 129 0.373 -0.068 0.369 25125
57 1 10 "Average Difference" C 109 1.053 0.100 1.053 25125
58 1 10 "Average Difference" CA 122 1.264 0.143 1.261 25125
59 1 10 "Average Difference" CB 115 1.164 -0.212 1.150 25125
60 1 10 "Average Difference" HN 113 0.564 -0.103 0.557 25125
61 1 11 "Average Difference" N 113 3.162 -0.426 3.147 25125
62 1 11 "Average Difference" HA 129 0.361 -0.044 0.359 25125
63 1 11 "Average Difference" C 109 1.149 0.122 1.148 25125
64 1 11 "Average Difference" CA 122 1.315 0.093 1.317 25125
65 1 11 "Average Difference" CB 115 1.257 -0.178 1.250 25125
66 1 11 "Average Difference" HN 113 0.584 -0.146 0.568 25125
67 1 12 "Average Difference" N 113 3.043 -0.432 3.026 25125
68 1 12 "Average Difference" HA 129 0.366 -0.034 0.366 25125
69 1 12 "Average Difference" C 109 1.136 0.125 1.134 25125
70 1 12 "Average Difference" CA 122 1.241 0.177 1.234 25125
71 1 12 "Average Difference" CB 115 1.137 -0.198 1.125 25125
72 1 12 "Average Difference" HN 113 0.558 -0.136 0.544 25125
73 1 13 "Average Difference" N 113 3.103 -0.471 3.081 25125
74 1 13 "Average Difference" HA 129 0.354 -0.036 0.354 25125
75 1 13 "Average Difference" C 109 1.155 0.173 1.147 25125
76 1 13 "Average Difference" CA 122 1.307 0.161 1.302 25125
77 1 13 "Average Difference" CB 115 1.142 -0.153 1.137 25125
78 1 13 "Average Difference" HN 113 0.568 -0.124 0.556 25125
79 1 14 "Average Difference" N 113 3.057 -0.615 3.008 25125
80 1 14 "Average Difference" HA 129 0.364 -0.052 0.362 25125
81 1 14 "Average Difference" C 109 1.044 0.111 1.043 25125
82 1 14 "Average Difference" CA 122 1.255 0.188 1.246 25125
83 1 14 "Average Difference" CB 115 1.178 -0.143 1.174 25125
84 1 14 "Average Difference" HN 113 0.533 -0.140 0.517 25125
85 1 15 "Average Difference" N 113 3.147 -0.444 3.130 25125
86 1 15 "Average Difference" HA 129 0.360 -0.041 0.360 25125
87 1 15 "Average Difference" C 109 1.125 0.151 1.120 25125
88 1 15 "Average Difference" CA 122 1.283 0.132 1.282 25125
89 1 15 "Average Difference" CB 115 1.199 -0.172 1.191 25125
90 1 15 "Average Difference" HN 113 0.534 -0.098 0.528 25125
91 1 16 "Average Difference" N 113 3.145 -0.479 3.122 25125
92 1 16 "Average Difference" HA 129 0.382 -0.047 0.380 25125
93 1 16 "Average Difference" C 109 1.123 0.149 1.118 25125
94 1 16 "Average Difference" CA 122 1.311 0.242 1.294 25125
95 1 16 "Average Difference" CB 115 1.255 -0.139 1.253 25125
96 1 16 "Average Difference" HN 113 0.572 -0.150 0.555 25125
97 1 17 "Average Difference" N 113 3.041 -0.539 3.006 25125
98 1 17 "Average Difference" HA 129 0.371 -0.050 0.370 25125
99 1 17 "Average Difference" C 109 1.108 0.173 1.099 25125
100 1 17 "Average Difference" CA 122 1.271 0.123 1.271 25125
101 1 17 "Average Difference" CB 115 1.166 -0.206 1.152 25125
102 1 17 "Average Difference" HN 113 0.554 -0.153 0.535 25125
103 1 18 "Average Difference" N 113 3.203 -0.488 3.180 25125
104 1 18 "Average Difference" HA 129 0.352 -0.046 0.350 25125
105 1 18 "Average Difference" C 109 1.111 0.171 1.103 25125
106 1 18 "Average Difference" CA 122 1.317 0.233 1.301 25125
107 1 18 "Average Difference" CB 115 1.220 -0.171 1.214 25125
108 1 18 "Average Difference" HN 113 0.547 -0.128 0.534 25125
109 1 19 "Average Difference" N 113 3.064 -0.500 3.036 25125
110 1 19 "Average Difference" HA 129 0.371 -0.036 0.370 25125
111 1 19 "Average Difference" C 109 1.058 0.131 1.055 25125
112 1 19 "Average Difference" CA 122 1.191 0.145 1.187 25125
113 1 19 "Average Difference" CB 115 1.163 -0.087 1.165 25125
114 1 19 "Average Difference" HN 113 0.567 -0.157 0.547 25125
115 1 20 "Average Difference" N 113 3.180 -0.530 3.150 25125
116 1 20 "Average Difference" HA 129 0.330 -0.048 0.328 25125
117 1 20 "Average Difference" C 109 1.094 0.128 1.092 25125
118 1 20 "Average Difference" CA 122 1.305 0.241 1.288 25125
119 1 20 "Average Difference" CB 115 1.248 -0.202 1.237 25125
120 1 20 "Average Difference" HN 113 0.559 -0.137 0.545 25125
121 1 21 "Average Difference" N 113 2.880 -0.368 2.869 25125
122 1 21 "Average Difference" HA 129 0.354 -0.035 0.353 25125
123 1 21 "Average Difference" C 109 1.083 0.153 1.078 25125
124 1 21 "Average Difference" CA 122 1.310 0.204 1.300 25125
125 1 21 "Average Difference" CB 115 1.123 -0.075 1.125 25125
126 1 21 "Average Difference" HN 113 0.571 -0.108 0.563 25125
127 1 22 "Average Difference" N 113 3.324 -0.576 3.288 25125
128 1 22 "Average Difference" HA 129 0.374 -0.073 0.368 25125
129 1 22 "Average Difference" C 109 1.166 0.166 1.159 25125
130 1 22 "Average Difference" CA 122 1.362 0.220 1.350 25125
131 1 22 "Average Difference" CB 115 1.191 -0.202 1.179 25125
132 1 22 "Average Difference" HN 113 0.582 -0.148 0.565 25125
133 1 23 "Average Difference" N 113 2.872 -0.560 2.829 25125
134 1 23 "Average Difference" HA 129 0.356 -0.033 0.356 25125
135 1 23 "Average Difference" C 109 0.979 0.043 0.983 25125
136 1 23 "Average Difference" CA 122 1.262 0.085 1.265 25125
137 1 23 "Average Difference" CB 115 1.168 -0.100 1.168 25125
138 1 23 "Average Difference" HN 113 0.563 -0.151 0.544 25125
139 1 24 "Average Difference" N 113 3.041 -0.398 3.028 25125
140 1 24 "Average Difference" HA 129 0.330 -0.036 0.329 25125
141 1 24 "Average Difference" C 109 1.044 0.101 1.044 25125
142 1 24 "Average Difference" CA 122 1.178 0.245 1.157 25125
143 1 24 "Average Difference" CB 115 1.224 -0.128 1.223 25125
144 1 24 "Average Difference" HN 113 0.585 -0.151 0.568 25125
145 1 25 "Average Difference" N 113 2.908 -0.394 2.894 25125
146 1 25 "Average Difference" HA 129 0.336 -0.038 0.335 25125
147 1 25 "Average Difference" C 109 1.112 0.166 1.105 25125
148 1 25 "Average Difference" CA 122 1.273 0.150 1.269 25125
149 1 25 "Average Difference" CB 115 1.157 -0.100 1.157 25125
150 1 25 "Average Difference" HN 113 0.553 -0.117 0.543 25125
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 25125
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.334 0.099 25125
2 1 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.243 -0.679 25125
3 1 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.561 2.039 25125
4 1 . 1 1 3 3 ARG N N 3 121.252 121.252 119.276 1.976 25125
5 1 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.240 0.125 25125
6 1 . 1 1 3 3 ARG C C 3 175.634 175.634 175.613 0.021 25125
7 1 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.543 -0.552 25125
8 1 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.423 0.874 25125
9 1 . 1 1 3 3 ARG H H 3 8.429 8.429 8.022 0.407 25125
10 1 . 1 1 4 4 GLY N N 4 107.663 107.663 108.369 -0.706 25125
11 1 . 1 1 4 4 GLY C C 4 171.041 171.041 173.372 -2.331 25125
12 1 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.533 0.783 25125
13 1 . 1 1 4 4 GLY H H 4 7.963 7.963 7.779 0.184 25125
14 1 . 1 1 5 5 ILE N N 5 122.603 122.603 125.006 -2.403 25125
15 1 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.030 0.669 25125
16 1 . 1 1 5 5 ILE C C 5 175.359 175.359 174.956 0.403 25125
17 1 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.719 -1.109 25125
18 1 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.246 0.330 25125
19 1 . 1 1 5 5 ILE H H 5 9.610 9.610 8.138 1.472 25125
20 1 . 1 1 6 6 VAL N N 6 127.905 127.905 125.401 2.504 25125
21 1 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.948 -0.136 25125
22 1 . 1 1 6 6 VAL C C 6 174.204 174.204 175.396 -1.192 25125
23 1 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.545 -0.986 25125
24 1 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.568 0.958 25125
25 1 . 1 1 6 6 VAL H H 6 9.090 9.090 7.951 1.139 25125
26 1 . 1 1 7 7 TRP N N 7 127.467 127.467 128.008 -0.541 25125
27 1 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.252 1.202 25125
28 1 . 1 1 7 7 TRP C C 7 175.056 175.056 175.297 -0.241 25125
29 1 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.437 -1.559 25125
30 1 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.897 1.237 25125
31 1 . 1 1 7 7 TRP H H 7 8.497 8.497 8.385 0.112 25125
32 1 . 1 1 8 8 VAL N N 8 122.068 122.068 119.622 2.446 25125
33 1 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.535 0.551 25125
34 1 . 1 1 8 8 VAL C C 8 173.874 173.874 174.141 -0.267 25125
35 1 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.250 -0.764 25125
36 1 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.320 0.395 25125
37 1 . 1 1 8 8 VAL H H 8 8.583 8.583 9.273 -0.690 25125
38 1 . 1 1 9 9 VAL N N 9 127.733 127.733 124.691 3.042 25125
39 1 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.567 0.394 25125
40 1 . 1 1 9 9 VAL C C 9 173.131 173.131 173.618 -0.487 25125
41 1 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.722 -1.047 25125
42 1 . 1 1 9 9 VAL CB C 9 32.911 32.911 33.628 -0.717 25125
43 1 . 1 1 9 9 VAL H H 9 9.107 9.107 8.470 0.637 25125
44 1 . 1 1 10 10 ASP N N 10 124.306 124.306 125.862 -1.556 25125
45 1 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.943 -0.374 25125
46 1 . 1 1 10 10 ASP C C 10 175.029 175.029 174.771 0.258 25125
47 1 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.465 1.282 25125
48 1 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.424 0.685 25125
49 1 . 1 1 10 10 ASP H H 10 7.775 7.775 8.056 -0.281 25125
50 1 . 1 1 11 11 ASP N N 11 126.714 126.714 117.887 8.827 25125
51 1 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.835 -0.300 25125
52 1 . 1 1 11 11 ASP C C 11 175.689 175.689 174.897 0.792 25125
53 1 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.879 1.839 25125
54 1 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.080 -0.006 25125
55 1 . 1 1 11 11 ASP H H 11 9.033 9.033 8.544 0.489 25125
56 1 . 1 1 12 12 ASP N N 12 121.877 121.877 119.381 2.496 25125
57 1 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.925 -0.279 25125
58 1 . 1 1 12 12 ASP C C 12 177.036 177.036 176.575 0.461 25125
59 1 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.434 -0.131 25125
60 1 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.709 -2.545 25125
61 1 . 1 1 12 12 ASP H H 12 9.570 9.570 8.000 1.570 25125
62 1 . 1 1 13 13 SER N N 13 123.799 123.799 118.317 5.482 25125
63 1 . 1 1 13 13 SER HA H 13 3.761 3.761 4.296 -0.535 25125
64 1 . 1 1 13 13 SER C C 13 176.156 176.156 176.052 0.104 25125
65 1 . 1 1 13 13 SER CA C 13 61.186 61.186 61.648 -0.462 25125
66 1 . 1 1 13 13 SER CB C 13 62.749 62.749 63.356 -0.607 25125
67 1 . 1 1 13 13 SER H H 13 8.850 8.850 8.802 0.048 25125
68 1 . 1 1 14 14 SER N N 14 119.123 119.123 117.559 1.564 25125
69 1 . 1 1 14 14 SER HA H 14 4.361 4.361 4.383 -0.022 25125
70 1 . 1 1 14 14 SER C C 14 176.404 176.404 176.599 -0.195 25125
71 1 . 1 1 14 14 SER CA C 14 61.730 61.730 61.313 0.417 25125
72 1 . 1 1 14 14 SER CB C 14 62.548 62.548 62.712 -0.164 25125
73 1 . 1 1 14 14 SER H H 14 8.531 8.531 8.648 -0.117 25125
74 1 . 1 1 15 15 ILE N N 15 123.637 123.637 121.535 2.102 25125
75 1 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.940 0.005 25125
76 1 . 1 1 15 15 ILE C C 15 177.861 177.861 177.796 0.065 25125
77 1 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.417 -2.217 25125
78 1 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.986 -1.100 25125
79 1 . 1 1 15 15 ILE H H 15 7.206 7.206 8.156 -0.950 25125
80 1 . 1 1 16 16 ARG N N 16 116.694 116.694 119.069 -2.375 25125
81 1 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.280 -0.557 25125
82 1 . 1 1 16 16 ARG C C 16 177.448 177.448 178.312 -0.864 25125
83 1 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.849 2.724 25125
84 1 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.923 0.524 25125
85 1 . 1 1 16 16 ARG H H 16 7.562 7.562 7.605 -0.043 25125
86 1 . 1 1 17 17 TRP N N 17 116.848 116.848 123.073 -6.225 25125
87 1 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.384 0.087 25125
88 1 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.146 -0.706 25125
89 1 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.586 -0.294 25125
90 1 . 1 1 17 17 TRP H H 17 8.005 8.005 8.236 -0.231 25125
91 1 . 1 1 18 18 VAL N N 18 116.964 116.964 117.505 -0.541 25125
92 1 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.798 0.877 25125
93 1 . 1 1 18 18 VAL C C 18 179.181 179.181 177.555 1.626 25125
94 1 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.645 0.063 25125
95 1 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.093 0.544 25125
96 1 . 1 1 18 18 VAL H H 18 8.110 8.110 8.065 0.045 25125
97 1 . 1 1 19 19 LEU N N 19 120.186 120.186 118.197 1.989 25125
98 1 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.149 -0.074 25125
99 1 . 1 1 19 19 LEU C C 19 177.778 177.778 178.918 -1.140 25125
100 1 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.136 0.686 25125
101 1 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.638 0.143 25125
102 1 . 1 1 19 19 LEU H H 19 8.073 8.073 7.516 0.557 25125
103 1 . 1 1 20 20 GLU N N 20 120.193 120.193 120.182 0.011 25125
104 1 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.035 -0.094 25125
105 1 . 1 1 20 20 GLU C C 20 178.603 178.603 178.772 -0.169 25125
106 1 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.429 1.181 25125
107 1 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.798 -0.710 25125
108 1 . 1 1 20 20 GLU H H 20 8.387 8.387 8.053 0.334 25125
109 1 . 1 1 21 21 ARG N N 21 116.076 116.076 118.168 -2.092 25125
110 1 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.942 -0.049 25125
111 1 . 1 1 21 21 ARG C C 21 179.676 179.676 178.362 1.314 25125
112 1 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.487 -0.038 25125
113 1 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.147 0.706 25125
114 1 . 1 1 21 21 ARG H H 21 7.602 7.602 8.122 -0.520 25125
115 1 . 1 1 22 22 ALA N N 22 122.405 122.405 122.244 0.161 25125
116 1 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.061 0.036 25125
117 1 . 1 1 22 22 ALA C C 22 180.501 180.501 179.276 1.225 25125
118 1 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.602 -0.024 25125
119 1 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.199 1.033 25125
120 1 . 1 1 22 22 ALA H H 22 7.992 7.992 7.590 0.402 25125
121 1 . 1 1 23 23 LEU N N 23 118.026 118.026 117.885 0.141 25125
122 1 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.178 -0.177 25125
123 1 . 1 1 23 23 LEU C C 23 178.878 178.878 179.055 -0.177 25125
124 1 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.530 1.191 25125
125 1 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.948 -2.293 25125
126 1 . 1 1 23 23 LEU H H 23 8.825 8.825 7.558 1.267 25125
127 1 . 1 1 24 24 ALA N N 24 122.159 122.159 121.992 0.167 25125
128 1 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.020 0.613 25125
129 1 . 1 1 24 24 ALA C C 24 183.141 183.141 179.087 4.054 25125
130 1 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.612 0.135 25125
131 1 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.488 -0.786 25125
132 1 . 1 1 24 24 ALA H H 24 8.125 8.125 8.051 0.074 25125
133 1 . 1 1 25 25 GLY N N 25 106.891 106.891 104.730 2.161 25125
134 1 . 1 1 25 25 GLY C C 25 174.286 174.286 174.347 -0.061 25125
135 1 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.082 1.339 25125
136 1 . 1 1 25 25 GLY H H 25 7.870 7.870 7.895 -0.025 25125
137 1 . 1 1 26 26 ALA N N 26 121.819 121.819 123.296 -1.477 25125
138 1 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.581 -0.082 25125
139 1 . 1 1 26 26 ALA C C 26 176.953 176.953 177.609 -0.656 25125
140 1 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.488 0.031 25125
141 1 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.058 -1.336 25125
142 1 . 1 1 26 26 ALA H H 26 7.285 7.285 7.419 -0.134 25125
143 1 . 1 1 27 27 GLY N N 27 106.197 106.197 106.782 -0.585 25125
144 1 . 1 1 27 27 GLY C C 27 173.956 173.956 173.193 0.763 25125
145 1 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.043 0.274 25125
146 1 . 1 1 27 27 GLY H H 27 7.824 7.824 8.246 -0.422 25125
147 1 . 1 1 28 28 LEU N N 28 120.291 120.291 118.363 1.928 25125
148 1 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.767 -0.192 25125
149 1 . 1 1 28 28 LEU C C 28 175.881 175.881 176.290 -0.409 25125
150 1 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.064 0.579 25125
151 1 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.534 -2.049 25125
152 1 . 1 1 28 28 LEU H H 28 7.678 7.678 7.364 0.314 25125
153 1 . 1 1 29 29 THR N N 29 118.040 118.040 116.800 1.240 25125
154 1 . 1 1 29 29 THR HA H 29 4.335 4.335 4.264 0.071 25125
155 1 . 1 1 29 29 THR C C 29 173.186 173.186 173.975 -0.789 25125
156 1 . 1 1 29 29 THR CA C 29 62.479 62.479 63.915 -1.436 25125
157 1 . 1 1 29 29 THR CB C 29 69.465 69.465 69.575 -0.110 25125
158 1 . 1 1 29 29 THR H H 29 8.527 8.527 8.495 0.032 25125
159 1 . 1 1 30 30 CYS N N 30 128.387 128.387 121.682 6.705 25125
160 1 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.457 0.486 25125
161 1 . 1 1 30 30 CYS C C 30 173.846 173.846 174.100 -0.254 25125
162 1 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.835 -0.473 25125
163 1 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.431 -0.951 25125
164 1 . 1 1 30 30 CYS H H 30 8.968 8.968 8.458 0.510 25125
165 1 . 1 1 31 31 THR N N 31 126.481 126.481 123.688 2.793 25125
166 1 . 1 1 31 31 THR HA H 31 4.433 4.433 4.408 0.025 25125
167 1 . 1 1 31 31 THR C C 31 172.609 172.609 173.389 -0.780 25125
168 1 . 1 1 31 31 THR CA C 31 61.951 61.951 61.660 0.291 25125
169 1 . 1 1 31 31 THR CB C 31 70.567 70.567 69.925 0.642 25125
170 1 . 1 1 31 31 THR H H 31 8.614 8.614 8.478 0.136 25125
171 1 . 1 1 32 32 THR N N 32 116.418 116.418 118.316 -1.898 25125
172 1 . 1 1 32 32 THR HA H 32 5.330 5.330 5.064 0.266 25125
173 1 . 1 1 32 32 THR C C 32 172.306 172.306 173.197 -0.891 25125
174 1 . 1 1 32 32 THR CA C 32 59.173 59.173 60.381 -1.208 25125
175 1 . 1 1 32 32 THR CB C 32 70.917 70.917 69.930 0.987 25125
176 1 . 1 1 32 32 THR H H 32 8.299 8.299 8.233 0.066 25125
177 1 . 1 1 33 33 PHE N N 33 118.067 118.067 124.771 -6.704 25125
178 1 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.699 -0.056 25125
179 1 . 1 1 33 33 PHE C C 33 174.341 174.341 175.453 -1.112 25125
180 1 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.998 -0.466 25125
181 1 . 1 1 33 33 PHE CB C 33 43.309 43.309 41.690 1.619 25125
182 1 . 1 1 33 33 PHE H H 33 8.890 8.890 8.653 0.237 25125
183 1 . 1 1 34 34 GLU N N 34 118.499 118.499 115.345 3.154 25125
184 1 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.646 -0.292 25125
185 1 . 1 1 34 34 GLU C C 34 175.414 175.414 175.088 0.326 25125
186 1 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.192 0.500 25125
187 1 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.680 0.787 25125
188 1 . 1 1 34 34 GLU H H 34 9.023 9.023 8.741 0.282 25125
189 1 . 1 1 35 35 ASN N N 35 109.907 109.907 118.145 -8.238 25125
190 1 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.906 -0.125 25125
191 1 . 1 1 35 35 ASN C C 35 175.139 175.139 176.099 -0.960 25125
192 1 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.824 -0.678 25125
193 1 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.256 1.067 25125
194 1 . 1 1 35 35 ASN H H 35 7.401 7.401 7.932 -0.531 25125
195 1 . 1 1 36 36 GLY N N 36 106.739 106.739 110.925 -4.186 25125
196 1 . 1 1 36 36 GLY C C 36 174.616 174.616 175.349 -0.733 25125
197 1 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.830 0.186 25125
198 1 . 1 1 36 36 GLY H H 36 8.877 8.877 8.800 0.077 25125
199 1 . 1 1 37 37 ASN N N 37 120.462 120.462 119.088 1.374 25125
200 1 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.458 -0.096 25125
201 1 . 1 1 37 37 ASN C C 37 178.686 178.686 176.872 1.814 25125
202 1 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.636 0.896 25125
203 1 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.276 -0.692 25125
204 1 . 1 1 37 37 ASN H H 37 8.366 8.366 8.514 -0.148 25125
205 1 . 1 1 38 38 GLU N N 38 119.360 119.360 118.042 1.318 25125
206 1 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.211 -0.141 25125
207 1 . 1 1 38 38 GLU C C 38 179.263 179.263 177.664 1.599 25125
208 1 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.835 0.797 25125
209 1 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.584 0.948 25125
210 1 . 1 1 38 38 GLU H H 38 7.990 7.990 8.003 -0.013 25125
211 1 . 1 1 39 39 VAL N N 39 119.259 119.259 119.158 0.101 25125
212 1 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.171 -0.403 25125
213 1 . 1 1 39 39 VAL C C 39 176.431 176.431 177.404 -0.973 25125
214 1 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.593 0.350 25125
215 1 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.699 -0.624 25125
216 1 . 1 1 39 39 VAL H H 39 6.883 6.883 7.569 -0.686 25125
217 1 . 1 1 40 40 LEU N N 40 119.627 119.627 121.454 -1.827 25125
218 1 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.987 -0.060 25125
219 1 . 1 1 40 40 LEU C C 40 179.538 179.538 178.149 1.389 25125
220 1 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.208 -0.268 25125
221 1 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.371 -0.303 25125
222 1 . 1 1 40 40 LEU H H 40 7.692 7.692 7.820 -0.128 25125
223 1 . 1 1 41 41 ALA N N 41 120.051 120.051 119.978 0.073 25125
224 1 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.126 0.014 25125
225 1 . 1 1 41 41 ALA C C 41 180.528 180.528 179.385 1.143 25125
226 1 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.506 0.144 25125
227 1 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.955 -0.089 25125
228 1 . 1 1 41 41 ALA H H 41 7.553 7.553 7.799 -0.246 25125
229 1 . 1 1 42 42 ALA N N 42 122.731 122.731 122.030 0.701 25125
230 1 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.142 0.057 25125
231 1 . 1 1 42 42 ALA C C 42 180.198 180.198 180.236 -0.038 25125
232 1 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.516 0.516 25125
233 1 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.131 1.268 25125
234 1 . 1 1 42 42 ALA H H 42 7.604 7.604 7.286 0.318 25125
235 1 . 1 1 43 43 LEU N N 43 119.131 119.131 118.663 0.468 25125
236 1 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.021 1.185 25125
237 1 . 1 1 43 43 LEU C C 43 177.421 177.421 178.859 -1.438 25125
238 1 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.469 -1.924 25125
239 1 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.139 1.465 25125
240 1 . 1 1 43 43 LEU H H 43 8.288 8.288 8.013 0.275 25125
241 1 . 1 1 44 44 ALA N N 44 119.065 119.065 118.598 0.467 25125
242 1 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.188 0.041 25125
243 1 . 1 1 44 44 ALA C C 44 178.686 178.686 178.497 0.189 25125
244 1 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.847 0.391 25125
245 1 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.433 0.083 25125
246 1 . 1 1 44 44 ALA H H 44 7.302 7.302 7.769 -0.467 25125
247 1 . 1 1 45 45 SER N N 45 108.656 108.656 114.391 -5.735 25125
248 1 . 1 1 45 45 SER HA H 45 4.742 4.742 4.423 0.319 25125
249 1 . 1 1 45 45 SER C C 45 173.296 173.296 175.662 -2.366 25125
250 1 . 1 1 45 45 SER CA C 45 58.656 58.656 60.500 -1.844 25125
251 1 . 1 1 45 45 SER CB C 45 65.407 65.407 63.925 1.482 25125
252 1 . 1 1 45 45 SER H H 45 7.728 7.728 8.057 -0.329 25125
253 1 . 1 1 46 46 LYS N N 46 123.016 123.016 117.601 5.415 25125
254 1 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.573 0.013 25125
255 1 . 1 1 46 46 LYS C C 46 172.719 172.719 175.523 -2.804 25125
256 1 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.394 -0.882 25125
257 1 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.008 2.217 25125
258 1 . 1 1 46 46 LYS H H 46 8.101 8.101 7.859 0.242 25125
259 1 . 1 1 47 47 THR N N 47 111.780 111.780 115.165 -3.385 25125
260 1 . 1 1 47 47 THR HA H 47 4.282 4.282 3.936 0.346 25125
261 1 . 1 1 47 47 THR CA C 47 57.806 57.806 62.064 -4.258 25125
262 1 . 1 1 47 47 THR CB C 47 70.594 70.594 67.910 2.684 25125
263 1 . 1 1 47 47 THR H H 47 7.677 7.677 7.856 -0.179 25125
264 1 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.947 -0.042 25125
265 1 . 1 1 48 48 PRO C C 48 172.966 172.966 175.470 -2.504 25125
266 1 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.125 -1.260 25125
267 1 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.628 -1.351 25125
268 1 . 1 1 49 49 ASP N N 49 115.035 115.035 118.246 -3.211 25125
269 1 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.683 -0.239 25125
270 1 . 1 1 49 49 ASP C C 49 175.634 175.634 175.407 0.227 25125
271 1 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.943 1.504 25125
272 1 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.866 -0.354 25125
273 1 . 1 1 49 49 ASP H H 49 8.502 8.502 8.098 0.404 25125
274 1 . 1 1 50 50 VAL N N 50 112.082 112.082 115.723 -3.641 25125
275 1 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.522 -0.242 25125
276 1 . 1 1 50 50 VAL C C 50 171.454 171.454 172.906 -1.452 25125
277 1 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.560 -0.998 25125
278 1 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.244 0.392 25125
279 1 . 1 1 50 50 VAL H H 50 7.173 7.173 7.123 0.050 25125
280 1 . 1 1 51 51 LEU N N 51 128.247 128.247 126.030 2.217 25125
281 1 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.292 0.027 25125
282 1 . 1 1 51 51 LEU C C 51 173.104 173.104 175.093 -1.989 25125
283 1 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.284 -0.066 25125
284 1 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.333 0.173 25125
285 1 . 1 1 51 51 LEU H H 51 8.059 8.059 8.106 -0.047 25125
286 1 . 1 1 52 52 LEU N N 52 128.407 128.407 121.453 6.954 25125
287 1 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.028 0.473 25125
288 1 . 1 1 52 52 LEU C C 52 175.414 175.414 176.015 -0.601 25125
289 1 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.199 0.124 25125
290 1 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.642 1.879 25125
291 1 . 1 1 52 52 LEU H H 52 9.242 9.242 8.380 0.862 25125
292 1 . 1 1 53 53 SER N N 53 114.946 114.946 117.632 -2.686 25125
293 1 . 1 1 53 53 SER HA H 53 5.595 5.595 4.529 1.066 25125
294 1 . 1 1 53 53 SER C C 53 174.644 174.644 173.945 0.699 25125
295 1 . 1 1 53 53 SER CA C 53 55.954 55.954 58.471 -2.516 25125
296 1 . 1 1 53 53 SER CB C 53 66.473 66.473 64.612 1.861 25125
297 1 . 1 1 53 53 SER H H 53 8.695 8.695 7.988 0.707 25125
298 1 . 1 1 54 54 ASP N N 54 128.341 128.341 125.472 2.869 25125
299 1 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.901 0.424 25125
300 1 . 1 1 54 54 ASP C C 54 176.816 176.816 176.010 0.806 25125
301 1 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.482 1.011 25125
302 1 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.696 -0.368 25125
303 1 . 1 1 54 54 ASP H H 54 7.886 7.886 8.207 -0.321 25125
304 1 . 1 1 55 55 ILE N N 55 121.229 121.229 120.221 1.008 25125
305 1 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.920 0.265 25125
306 1 . 1 1 55 55 ILE C C 55 175.084 175.084 174.392 0.692 25125
307 1 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.853 -0.311 25125
308 1 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.547 2.482 25125
309 1 . 1 1 55 55 ILE H H 55 8.722 8.722 8.110 0.612 25125
310 1 . 1 1 56 56 ARG N N 56 124.188 124.188 122.943 1.245 25125
311 1 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.514 -0.009 25125
312 1 . 1 1 56 56 ARG C C 56 175.661 175.661 174.949 0.712 25125
313 1 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.878 -0.437 25125
314 1 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.309 -0.947 25125
315 1 . 1 1 56 56 ARG H H 56 8.499 8.499 8.419 0.080 25125
316 1 . 1 1 57 57 MET N N 57 122.581 122.581 118.741 3.840 25125
317 1 . 1 1 57 57 MET HA H 57 4.821 4.821 5.002 -0.181 25125
318 1 . 1 1 57 57 MET CA C 57 53.132 53.132 52.966 0.166 25125
319 1 . 1 1 57 57 MET CB C 57 33.445 33.445 33.055 0.390 25125
320 1 . 1 1 57 57 MET H H 57 7.956 7.956 7.850 0.106 25125
321 1 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.418 -0.025 25125
322 1 . 1 1 58 58 PRO C C 58 177.806 177.806 177.902 -0.096 25125
323 1 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.139 -0.640 25125
324 1 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.988 -0.181 25125
325 1 . 1 1 59 59 GLY N N 59 111.082 111.082 108.131 2.951 25125
326 1 . 1 1 59 59 GLY C C 59 173.626 173.626 174.656 -1.030 25125
327 1 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.457 0.133 25125
328 1 . 1 1 59 59 GLY H H 59 8.653 8.653 8.313 0.340 25125
329 1 . 1 1 60 60 MET N N 60 120.052 120.052 121.000 -0.948 25125
330 1 . 1 1 60 60 MET HA H 60 4.525 4.525 4.412 0.113 25125
331 1 . 1 1 60 60 MET C C 60 173.956 173.956 175.892 -1.936 25125
332 1 . 1 1 60 60 MET CA C 60 55.047 55.047 55.752 -0.705 25125
333 1 . 1 1 60 60 MET CB C 60 34.506 34.506 33.305 1.201 25125
334 1 . 1 1 60 60 MET H H 60 7.968 7.968 8.061 -0.093 25125
335 1 . 1 1 61 61 ASP N N 61 121.306 121.306 119.889 1.417 25125
336 1 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.546 0.158 25125
337 1 . 1 1 61 61 ASP C C 61 176.761 176.761 177.218 -0.457 25125
338 1 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.316 -1.587 25125
339 1 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.899 0.170 25125
340 1 . 1 1 61 61 ASP H H 61 8.379 8.379 8.495 -0.116 25125
341 1 . 1 1 62 62 GLY N N 62 110.874 110.874 107.339 3.535 25125
342 1 . 1 1 62 62 GLY C C 62 175.194 175.194 175.454 -0.260 25125
343 1 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.144 0.957 25125
344 1 . 1 1 62 62 GLY H H 62 8.707 8.707 8.268 0.439 25125
345 1 . 1 1 63 63 LEU N N 63 121.299 121.299 121.296 0.003 25125
346 1 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.455 -0.278 25125
347 1 . 1 1 63 63 LEU C C 63 178.356 178.356 178.173 0.183 25125
348 1 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.831 1.047 25125
349 1 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.458 0.780 25125
350 1 . 1 1 63 63 LEU H H 63 8.045 8.045 7.868 0.177 25125
351 1 . 1 1 64 64 ALA N N 64 122.741 122.741 123.160 -0.419 25125
352 1 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.045 0.017 25125
353 1 . 1 1 64 64 ALA C C 64 180.556 180.556 179.121 1.435 25125
354 1 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.161 -0.546 25125
355 1 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.954 0.046 25125
356 1 . 1 1 64 64 ALA H H 64 7.859 7.859 8.169 -0.310 25125
357 1 . 1 1 65 65 LEU N N 65 120.287 120.287 114.753 5.534 25125
358 1 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.369 -0.307 25125
359 1 . 1 1 65 65 LEU C C 65 178.191 178.191 178.596 -0.405 25125
360 1 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.697 1.322 25125
361 1 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.049 -0.811 25125
362 1 . 1 1 65 65 LEU H H 65 8.022 8.022 7.668 0.354 25125
363 1 . 1 1 66 66 LEU N N 66 118.738 118.738 120.723 -1.985 25125
364 1 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.119 -0.261 25125
365 1 . 1 1 66 66 LEU C C 66 178.631 178.631 178.800 -0.169 25125
366 1 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.089 1.257 25125
367 1 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.039 0.199 25125
368 1 . 1 1 66 66 LEU H H 66 8.101 8.101 7.817 0.284 25125
369 1 . 1 1 67 67 LYS N N 67 117.842 117.842 117.398 0.444 25125
370 1 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.085 -0.103 25125
371 1 . 1 1 67 67 LYS C C 67 179.263 179.263 178.803 0.460 25125
372 1 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.888 0.909 25125
373 1 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.013 0.194 25125
374 1 . 1 1 67 67 LYS H H 67 8.010 8.010 8.280 -0.270 25125
375 1 . 1 1 68 68 GLN N N 68 118.875 118.875 117.920 0.955 25125
376 1 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.265 -0.209 25125
377 1 . 1 1 68 68 GLN C C 68 179.071 179.071 177.684 1.387 25125
378 1 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.228 0.845 25125
379 1 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.718 -0.107 25125
380 1 . 1 1 68 68 GLN H H 68 7.809 7.809 7.648 0.161 25125
381 1 . 1 1 69 69 ILE N N 69 120.377 120.377 121.422 -1.045 25125
382 1 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.935 -0.405 25125
383 1 . 1 1 69 69 ILE C C 69 177.421 177.421 178.196 -0.775 25125
384 1 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.888 0.990 25125
385 1 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.684 -0.101 25125
386 1 . 1 1 69 69 ILE H H 69 8.481 8.481 7.734 0.747 25125
387 1 . 1 1 70 70 LYS N N 70 117.873 117.873 118.181 -0.308 25125
388 1 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.168 -0.208 25125
389 1 . 1 1 70 70 LYS C C 70 178.053 178.053 178.073 -0.020 25125
390 1 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.580 -1.492 25125
391 1 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.079 -0.867 25125
392 1 . 1 1 70 70 LYS H H 70 8.220 8.220 7.827 0.393 25125
393 1 . 1 1 71 71 GLN N N 71 116.315 116.315 117.561 -1.246 25125
394 1 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.189 -0.197 25125
395 1 . 1 1 71 71 GLN C C 71 177.366 177.366 177.853 -0.487 25125
396 1 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.961 0.229 25125
397 1 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.074 -0.409 25125
398 1 . 1 1 71 71 GLN H H 71 7.601 7.601 7.573 0.028 25125
399 1 . 1 1 72 72 ARG N N 72 116.530 116.530 117.558 -1.028 25125
400 1 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.103 -0.073 25125
401 1 . 1 1 72 72 ARG C C 72 175.826 175.826 176.224 -0.398 25125
402 1 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.278 -0.056 25125
403 1 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.582 0.220 25125
404 1 . 1 1 72 72 ARG H H 72 7.301 7.301 8.129 -0.828 25125
405 1 . 1 1 73 73 HIS N N 73 116.755 116.755 116.589 0.166 25125
406 1 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.947 0.013 25125
407 1 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.326 -0.108 25125
408 1 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.215 0.347 25125
409 1 . 1 1 73 73 HIS H H 73 8.331 8.331 7.804 0.527 25125
410 1 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.434 0.065 25125
411 1 . 1 1 74 74 PRO C C 74 178.466 178.466 177.501 0.965 25125
412 1 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.890 0.223 25125
413 1 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.206 -0.111 25125
414 1 . 1 1 75 75 MET N N 75 114.814 114.814 114.643 0.171 25125
415 1 . 1 1 75 75 MET HA H 75 4.567 4.567 4.514 0.053 25125
416 1 . 1 1 75 75 MET C C 75 176.046 176.046 175.582 0.464 25125
417 1 . 1 1 75 75 MET CA C 75 54.266 54.266 55.570 -1.304 25125
418 1 . 1 1 75 75 MET CB C 75 31.288 31.288 32.311 -1.023 25125
419 1 . 1 1 75 75 MET H H 75 8.623 8.623 7.793 0.830 25125
420 1 . 1 1 76 76 LEU N N 76 125.533 125.533 123.283 2.250 25125
421 1 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.761 -0.456 25125
422 1 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.375 1.737 25125
423 1 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.448 0.237 25125
424 1 . 1 1 76 76 LEU H H 76 7.337 7.337 7.205 0.132 25125
425 1 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.514 -0.068 25125
426 1 . 1 1 77 77 PRO C C 77 174.974 174.974 175.335 -0.361 25125
427 1 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.521 0.306 25125
428 1 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.246 -0.524 25125
429 1 . 1 1 78 78 VAL N N 78 123.779 123.779 121.070 2.709 25125
430 1 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.603 0.421 25125
431 1 . 1 1 78 78 VAL C C 78 175.441 175.441 175.314 0.127 25125
432 1 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.737 -0.544 25125
433 1 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.863 -1.569 25125
434 1 . 1 1 78 78 VAL H H 78 8.317 8.317 8.174 0.143 25125
435 1 . 1 1 79 79 ILE N N 79 128.334 128.334 121.703 6.631 25125
436 1 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.773 -0.292 25125
437 1 . 1 1 79 79 ILE C C 79 174.479 174.479 174.765 -0.286 25125
438 1 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.086 -0.564 25125
439 1 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.867 -1.904 25125
440 1 . 1 1 79 79 ILE H H 79 9.292 9.292 8.454 0.838 25125
441 1 . 1 1 80 80 ILE N N 80 127.023 127.023 125.530 1.493 25125
442 1 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.368 0.491 25125
443 1 . 1 1 80 80 ILE C C 80 175.029 175.029 175.107 -0.078 25125
444 1 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.773 -1.616 25125
445 1 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.081 -1.137 25125
446 1 . 1 1 80 80 ILE H H 80 7.938 7.938 8.814 -0.876 25125
447 1 . 1 1 81 81 MET N N 81 127.255 127.255 125.819 1.436 25125
448 1 . 1 1 81 81 MET HA H 81 5.521 5.521 5.411 0.110 25125
449 1 . 1 1 81 81 MET C C 81 174.534 174.534 175.448 -0.914 25125
450 1 . 1 1 81 81 MET CA C 81 53.513 53.513 55.089 -1.576 25125
451 1 . 1 1 81 81 MET CB C 81 35.483 35.483 35.397 0.086 25125
452 1 . 1 1 81 81 MET H H 81 8.801 8.801 8.468 0.333 25125
453 1 . 1 1 82 82 THR N N 82 112.857 112.857 117.572 -4.715 25125
454 1 . 1 1 82 82 THR HA H 82 4.914 4.914 4.455 0.459 25125
455 1 . 1 1 82 82 THR C C 82 172.581 172.581 173.549 -0.968 25125
456 1 . 1 1 82 82 THR CA C 82 59.561 59.561 63.188 -3.627 25125
457 1 . 1 1 82 82 THR CB C 82 69.989 69.989 69.675 0.314 25125
458 1 . 1 1 82 82 THR H H 82 7.623 7.623 8.342 -0.719 25125
459 1 . 1 1 83 83 ALA N N 83 129.541 129.541 124.368 5.173 25125
460 1 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.965 0.743 25125
461 1 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.668 -1.130 25125
462 1 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.294 1.853 25125
463 1 . 1 1 83 83 ALA H H 83 9.149 9.149 8.127 1.022 25125
464 1 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.436 -0.164 25125
465 1 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.658 4.042 25125
466 1 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.778 0.240 25125
467 1 . 1 1 85 85 SER N N 85 112.633 112.633 116.006 -3.373 25125
468 1 . 1 1 85 85 SER HA H 85 4.198 4.198 4.188 0.010 25125
469 1 . 1 1 85 85 SER C C 85 174.506 174.506 173.791 0.715 25125
470 1 . 1 1 85 85 SER CA C 85 59.823 59.823 59.966 -0.143 25125
471 1 . 1 1 85 85 SER CB C 85 62.693 62.693 62.978 -0.285 25125
472 1 . 1 1 85 85 SER H H 85 8.224 8.224 8.244 -0.020 25125
473 1 . 1 1 86 86 ASP N N 86 120.886 120.886 122.023 -1.137 25125
474 1 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.457 0.479 25125
475 1 . 1 1 86 86 ASP C C 86 175.881 175.881 176.870 -0.989 25125
476 1 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.504 -1.570 25125
477 1 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.081 0.922 25125
478 1 . 1 1 86 86 ASP H H 86 7.608 7.608 8.085 -0.477 25125
479 1 . 1 1 87 87 LEU N N 87 121.913 121.913 121.092 0.821 25125
480 1 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.681 0.238 25125
481 1 . 1 1 87 87 LEU C C 87 177.586 177.586 177.891 -0.305 25125
482 1 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.317 -0.480 25125
483 1 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.650 0.665 25125
484 1 . 1 1 87 87 LEU H H 87 7.498 7.498 7.838 -0.340 25125
485 1 . 1 1 88 88 ASP N N 88 117.621 117.621 117.823 -0.202 25125
486 1 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.219 0.053 25125
487 1 . 1 1 88 88 ASP C C 88 178.246 178.246 177.536 0.710 25125
488 1 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.463 -0.653 25125
489 1 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.542 -0.408 25125
490 1 . 1 1 88 88 ASP H H 88 8.322 8.322 8.508 -0.186 25125
491 1 . 1 1 89 89 ALA N N 89 122.874 122.874 120.721 2.153 25125
492 1 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.353 -0.259 25125
493 1 . 1 1 89 89 ALA C C 89 179.346 179.346 179.207 0.139 25125
494 1 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.289 -0.136 25125
495 1 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.745 -0.484 25125
496 1 . 1 1 89 89 ALA H H 89 7.838 7.838 7.443 0.395 25125
497 1 . 1 1 90 90 ALA N N 90 121.673 121.673 121.804 -0.131 25125
498 1 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.140 -0.207 25125
499 1 . 1 1 90 90 ALA C C 90 178.686 178.686 179.954 -1.268 25125
500 1 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.699 -0.036 25125
501 1 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.182 0.200 25125
502 1 . 1 1 90 90 ALA H H 90 7.896 7.896 7.961 -0.065 25125
503 1 . 1 1 91 91 VAL N N 91 117.749 117.749 118.450 -0.701 25125
504 1 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.975 -0.363 25125
505 1 . 1 1 91 91 VAL C C 91 178.411 178.411 177.601 0.810 25125
506 1 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.527 -1.346 25125
507 1 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.716 -0.079 25125
508 1 . 1 1 91 91 VAL H H 91 8.098 8.098 8.575 -0.477 25125
509 1 . 1 1 92 92 SER N N 92 114.942 114.942 113.724 1.218 25125
510 1 . 1 1 92 92 SER HA H 92 4.231 4.231 4.439 -0.208 25125
511 1 . 1 1 92 92 SER C C 92 175.826 175.826 175.410 0.416 25125
512 1 . 1 1 92 92 SER CA C 92 60.649 60.649 59.979 0.670 25125
513 1 . 1 1 92 92 SER CB C 92 63.063 63.063 64.064 -1.000 25125
514 1 . 1 1 92 92 SER H H 92 7.825 7.825 7.923 -0.098 25125
515 1 . 1 1 93 93 ALA N N 93 122.580 122.580 123.461 -0.881 25125
516 1 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.240 -0.183 25125
517 1 . 1 1 93 93 ALA C C 93 178.906 178.906 179.457 -0.551 25125
518 1 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.477 -0.160 25125
519 1 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.665 -0.368 25125
520 1 . 1 1 93 93 ALA H H 93 7.861 7.861 8.094 -0.233 25125
521 1 . 1 1 94 94 TYR N N 94 118.447 118.447 120.712 -2.265 25125
522 1 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.277 0.215 25125
523 1 . 1 1 94 94 TYR C C 94 177.393 177.393 177.401 -0.008 25125
524 1 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.055 -0.804 25125
525 1 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.451 -0.017 25125
526 1 . 1 1 94 94 TYR H H 94 8.150 8.150 7.911 0.239 25125
527 1 . 1 1 95 95 GLN N N 95 119.787 119.787 116.013 3.774 25125
528 1 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.033 0.010 25125
529 1 . 1 1 95 95 GLN C C 95 176.981 176.981 176.731 0.250 25125
530 1 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.942 0.524 25125
531 1 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.742 0.347 25125
532 1 . 1 1 95 95 GLN H H 95 8.271 8.271 7.977 0.294 25125
533 1 . 1 1 96 96 GLN N N 96 117.878 117.878 118.671 -0.793 25125
534 1 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.235 0.110 25125
535 1 . 1 1 96 96 GLN C C 96 175.854 175.854 176.120 -0.266 25125
536 1 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.078 0.093 25125
537 1 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.094 0.381 25125
538 1 . 1 1 96 96 GLN H H 96 7.944 7.944 7.772 0.172 25125
539 1 . 1 1 97 97 GLY N N 97 106.670 106.670 105.561 1.109 25125
540 1 . 1 1 97 97 GLY C C 97 174.231 174.231 173.063 1.168 25125
541 1 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.757 0.729 25125
542 1 . 1 1 97 97 GLY H H 97 7.949 7.949 7.770 0.179 25125
543 1 . 1 1 98 98 ALA N N 98 122.898 122.898 121.128 1.770 25125
544 1 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.450 -0.075 25125
545 1 . 1 1 98 98 ALA C C 98 175.991 175.991 175.493 0.498 25125
546 1 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.041 2.127 25125
547 1 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.368 -1.399 25125
548 1 . 1 1 98 98 ALA H H 98 7.808 7.808 7.147 0.661 25125
549 1 . 1 1 99 99 PHE N N 99 123.484 123.484 119.278 4.206 25125
550 1 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.445 -0.095 25125
551 1 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.447 2.009 25125
552 1 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.250 -0.810 25125
553 1 . 1 1 99 99 PHE H H 99 7.704 7.704 8.235 -0.531 25125
554 1 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.889 0.615 25125
555 1 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.122 -1.640 25125
556 1 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.338 3.862 25125
557 1 . 1 1 101 101 TYR N N 101 118.148 118.148 121.025 -2.877 25125
558 1 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.480 0.968 25125
559 1 . 1 1 101 101 TYR C C 101 173.159 173.159 174.481 -1.322 25125
560 1 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.493 -0.506 25125
561 1 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.004 2.894 25125
562 1 . 1 1 101 101 TYR H H 101 9.546 9.546 7.397 2.149 25125
563 1 . 1 1 102 102 LEU N N 102 124.100 124.100 120.308 3.792 25125
564 1 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.078 -0.358 25125
565 1 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.454 -0.955 25125
566 1 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.360 -0.299 25125
567 1 . 1 1 102 102 LEU H H 102 8.901 8.901 8.708 0.193 25125
568 1 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.591 0.302 25125
569 1 . 1 1 103 103 PRO C C 103 175.524 175.524 175.623 -0.099 25125
570 1 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.500 -0.615 25125
571 1 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.461 -0.654 25125
572 1 . 1 1 104 104 LYS N N 104 118.848 118.848 121.113 -2.265 25125
573 1 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.901 -0.388 25125
574 1 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.356 -0.138 25125
575 1 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.081 1.663 25125
576 1 . 1 1 104 104 LYS H H 104 8.279 8.279 8.153 0.126 25125
577 1 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.399 -0.100 25125
578 1 . 1 1 105 105 PRO C C 105 175.001 175.001 175.560 -0.559 25125
579 1 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.701 -0.307 25125
580 1 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.119 1.976 25125
581 1 . 1 1 106 106 PHE N N 106 116.607 116.607 114.920 1.687 25125
582 1 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.753 0.417 25125
583 1 . 1 1 106 106 PHE C C 106 175.221 175.221 174.198 1.023 25125
584 1 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.885 -2.450 25125
585 1 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.334 0.066 25125
586 1 . 1 1 106 106 PHE H H 106 7.457 7.457 7.491 -0.034 25125
587 1 . 1 1 107 107 ASP N N 107 122.214 122.214 122.510 -0.296 25125
588 1 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.017 -0.185 25125
589 1 . 1 1 107 107 ASP C C 107 177.778 177.778 177.095 0.683 25125
590 1 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.705 -0.463 25125
591 1 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.314 1.283 25125
592 1 . 1 1 107 107 ASP H H 107 9.022 9.022 8.667 0.355 25125
593 1 . 1 1 108 108 ILE N N 108 127.706 127.706 125.215 2.491 25125
594 1 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.749 0.216 25125
595 1 . 1 1 108 108 ILE C C 108 176.046 176.046 177.272 -1.226 25125
596 1 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.925 -1.936 25125
597 1 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.072 -0.318 25125
598 1 . 1 1 108 108 ILE H H 108 8.860 8.860 8.774 0.086 25125
599 1 . 1 1 109 109 ASP N N 109 120.058 120.058 119.033 1.025 25125
600 1 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.362 0.026 25125
601 1 . 1 1 109 109 ASP C C 109 179.786 179.786 178.910 0.876 25125
602 1 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.683 -0.189 25125
603 1 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.239 -0.185 25125
604 1 . 1 1 109 109 ASP H H 109 8.079 8.079 8.630 -0.551 25125
605 1 . 1 1 110 110 GLU N N 110 121.559 121.559 119.449 2.110 25125
606 1 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.215 -0.147 25125
607 1 . 1 1 110 110 GLU C C 110 179.043 179.043 178.456 0.587 25125
608 1 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.388 0.438 25125
609 1 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.908 -0.565 25125
610 1 . 1 1 110 110 GLU H H 110 8.012 8.012 8.039 -0.027 25125
611 1 . 1 1 111 111 ALA N N 111 122.267 122.267 123.474 -1.207 25125
612 1 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.995 -0.241 25125
613 1 . 1 1 111 111 ALA C C 111 178.493 178.493 179.495 -1.002 25125
614 1 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.245 -0.073 25125
615 1 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.239 0.143 25125
616 1 . 1 1 111 111 ALA H H 111 7.897 7.897 8.107 -0.210 25125
617 1 . 1 1 112 112 VAL N N 112 116.527 116.527 117.937 -1.410 25125
618 1 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.557 -0.390 25125
619 1 . 1 1 112 112 VAL C C 112 177.201 177.201 177.853 -0.652 25125
620 1 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.614 0.531 25125
621 1 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.405 0.147 25125
622 1 . 1 1 112 112 VAL H H 112 8.018 8.018 8.395 -0.377 25125
623 1 . 1 1 113 113 ALA N N 113 119.895 119.895 120.870 -0.975 25125
624 1 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.249 -0.111 25125
625 1 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.259 0.573 25125
626 1 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.662 -0.790 25125
627 1 . 1 1 113 113 ALA H H 113 7.673 7.673 7.442 0.231 25125
628 1 . 1 1 114 114 LEU N N 114 120.650 120.650 120.569 0.081 25125
629 1 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.131 -0.048 25125
630 1 . 1 1 114 114 LEU C C 114 178.466 178.466 178.432 0.034 25125
631 1 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.675 0.345 25125
632 1 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.063 -0.230 25125
633 1 . 1 1 114 114 LEU H H 114 7.840 7.840 7.677 0.163 25125
634 1 . 1 1 115 115 VAL N N 115 119.480 119.480 118.252 1.228 25125
635 1 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.495 -0.283 25125
636 1 . 1 1 115 115 VAL C C 115 177.448 177.448 177.053 0.395 25125
637 1 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.754 1.447 25125
638 1 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.753 -1.081 25125
639 1 . 1 1 115 115 VAL H H 115 7.824 7.824 7.966 -0.142 25125
640 1 . 1 1 116 116 GLU N N 116 117.473 117.473 119.175 -1.702 25125
641 1 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.913 -0.124 25125
642 1 . 1 1 116 116 GLU C C 116 179.566 179.566 178.644 0.922 25125
643 1 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.669 0.261 25125
644 1 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.280 -0.184 25125
645 1 . 1 1 116 116 GLU H H 116 8.465 8.465 7.678 0.787 25125
646 1 . 1 1 117 117 ARG N N 117 120.128 120.128 118.674 1.454 25125
647 1 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.084 -0.020 25125
648 1 . 1 1 117 117 ARG C C 117 178.438 178.438 177.657 0.781 25125
649 1 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.767 0.511 25125
650 1 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.919 0.358 25125
651 1 . 1 1 117 117 ARG H H 117 8.012 8.012 7.562 0.450 25125
652 1 . 1 1 118 118 ALA N N 118 122.270 122.270 120.878 1.392 25125
653 1 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.895 -0.439 25125
654 1 . 1 1 118 118 ALA C C 118 178.741 178.741 178.706 0.035 25125
655 1 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.003 0.575 25125
656 1 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.694 -0.536 25125
657 1 . 1 1 118 118 ALA H H 118 7.958 7.958 7.293 0.665 25125
658 1 . 1 1 119 119 ILE N N 119 115.269 115.269 117.465 -2.196 25125
659 1 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.945 -0.217 25125
660 1 . 1 1 119 119 ILE C C 119 177.366 177.366 178.161 -0.795 25125
661 1 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.368 -0.699 25125
662 1 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.409 -0.611 25125
663 1 . 1 1 119 119 ILE H H 119 7.753 7.753 7.632 0.121 25125
664 1 . 1 1 120 120 SER N N 120 115.135 115.135 115.040 0.095 25125
665 1 . 1 1 120 120 SER HA H 120 4.275 4.275 4.158 0.117 25125
666 1 . 1 1 120 120 SER C C 120 175.084 175.084 175.615 -0.531 25125
667 1 . 1 1 120 120 SER CA C 120 59.816 59.816 60.989 -1.173 25125
668 1 . 1 1 120 120 SER CB C 120 63.380 63.380 62.911 0.469 25125
669 1 . 1 1 120 120 SER H H 120 7.816 7.816 8.258 -0.442 25125
670 1 . 1 1 121 121 HIS N N 121 119.908 119.908 119.738 0.170 25125
671 1 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.194 0.228 25125
672 1 . 1 1 121 121 HIS C C 121 175.029 175.029 176.313 -1.284 25125
673 1 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.792 -1.556 25125
674 1 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.743 -0.315 25125
675 1 . 1 1 121 121 HIS H H 121 7.910 7.910 7.676 0.234 25125
676 1 . 1 1 122 122 TYR N N 122 118.880 118.880 117.121 1.759 25125
677 1 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.540 -0.114 25125
678 1 . 1 1 122 122 TYR C C 122 175.276 175.276 176.745 -1.469 25125
679 1 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.173 -0.724 25125
680 1 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.580 0.024 25125
681 1 . 1 1 122 122 TYR H H 122 7.766 7.766 7.716 0.050 25125
682 1 . 1 1 123 123 GLN N N 123 121.479 121.479 118.127 3.352 25125
683 1 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.323 -0.053 25125
684 1 . 1 1 123 123 GLN C C 123 174.534 174.534 175.641 -1.107 25125
685 1 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.991 -0.479 25125
686 1 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.162 0.606 25125
687 1 . 1 1 123 123 GLN H H 123 7.878 7.878 7.925 -0.047 25125
stop_
save_