data_19622
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19622
_Entry.PDB_ID 2MH7
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 19622
_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 1 1 TYR N N 1 121.776 121.776 117.355 4.421 19622
2 1 1 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.738 0.162 19622
3 1 1 . 1 1 1 1 TYR C C 1 174.477 174.477 175.059 -0.582 19622
4 1 1 . 1 1 1 1 TYR CA C 1 57.340 57.340 57.038 0.302 19622
5 1 1 . 1 1 1 1 TYR CB C 1 40.147 40.147 41.807 -1.660 19622
6 1 1 . 1 1 1 1 TYR H H 1 8.204 8.204 8.502 -0.298 19622
7 1 1 . 1 1 2 2 LYS N N 2 122.911 122.911 124.115 -1.204 19622
8 1 1 . 1 1 2 2 LYS HA H 2 4.719 4.719 4.852 -0.133 19622
9 1 1 . 1 1 2 2 LYS C C 2 176.369 176.369 175.488 0.881 19622
10 1 1 . 1 1 2 2 LYS CA C 2 55.408 55.408 55.908 -0.500 19622
11 1 1 . 1 1 2 2 LYS CB C 2 32.636 32.636 33.196 -0.560 19622
12 1 1 . 1 1 2 2 LYS H H 2 9.291 9.291 9.476 -0.185 19622
13 1 1 . 1 1 3 3 VAL N N 3 128.453 128.453 127.998 0.455 19622
14 1 1 . 1 1 3 3 VAL HA H 3 4.974 4.974 5.194 -0.220 19622
15 1 1 . 1 1 3 3 VAL C C 3 175.283 175.283 174.317 0.966 19622
16 1 1 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.405 0.996 19622
17 1 1 . 1 1 3 3 VAL CB C 3 33.332 33.332 34.971 -1.639 19622
18 1 1 . 1 1 3 3 VAL H H 3 9.268 9.268 8.972 0.296 19622
19 1 1 . 1 1 4 4 THR N N 4 126.298 126.298 126.404 -0.106 19622
20 1 1 . 1 1 4 4 THR HA H 4 4.316 4.316 4.657 -0.341 19622
21 1 1 . 1 1 4 4 THR C C 4 172.907 172.907 174.147 -1.240 19622
22 1 1 . 1 1 4 4 THR CA C 4 63.342 63.342 63.065 0.277 19622
23 1 1 . 1 1 4 4 THR CB C 4 69.170 69.170 68.516 0.654 19622
24 1 1 . 1 1 4 4 THR H H 4 9.623 9.623 9.057 0.566 19622
25 1 1 . 1 1 5 5 LEU N N 5 130.058 130.058 130.590 -0.532 19622
26 1 1 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.837 0.336 19622
27 1 1 . 1 1 5 5 LEU C C 5 174.969 174.969 176.016 -1.047 19622
28 1 1 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.416 -1.695 19622
29 1 1 . 1 1 5 5 LEU CB C 5 41.530 41.530 43.297 -1.767 19622
30 1 1 . 1 1 5 5 LEU H H 5 9.554 9.554 9.344 0.210 19622
31 1 1 . 1 1 6 6 LYS N N 6 124.882 124.882 126.555 -1.673 19622
32 1 1 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.531 0.353 19622
33 1 1 . 1 1 6 6 LYS C C 6 175.730 175.730 175.826 -0.096 19622
34 1 1 . 1 1 6 6 LYS CA C 6 55.335 55.335 55.494 -0.159 19622
35 1 1 . 1 1 6 6 LYS CB C 6 31.006 31.006 32.865 -1.859 19622
36 1 1 . 1 1 6 6 LYS H H 6 9.072 9.072 9.021 0.051 19622
37 1 1 . 1 1 7 7 THR N N 7 117.987 117.987 118.256 -0.269 19622
38 1 1 . 1 1 7 7 THR HA H 7 5.708 5.708 5.354 0.354 19622
39 1 1 . 1 1 7 7 THR CA C 7 59.875 59.875 58.260 1.615 19622
40 1 1 . 1 1 7 7 THR CB C 7 69.582 69.582 69.969 -0.387 19622
41 1 1 . 1 1 7 7 THR H H 7 7.750 7.750 8.674 -0.924 19622
42 1 1 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.297 0.037 19622
43 1 1 . 1 1 8 8 PRO C C 8 177.136 177.136 177.474 -0.338 19622
44 1 1 . 1 1 8 8 PRO CA C 8 64.777 64.777 65.163 -0.386 19622
45 1 1 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.578 0.157 19622
46 1 1 . 1 1 9 9 SER N N 9 109.200 109.200 112.414 -3.214 19622
47 1 1 . 1 1 9 9 SER HA H 9 4.629 4.629 4.414 0.215 19622
48 1 1 . 1 1 9 9 SER C C 9 173.571 173.571 174.763 -1.192 19622
49 1 1 . 1 1 9 9 SER CA C 9 57.371 57.371 59.268 -1.897 19622
50 1 1 . 1 1 9 9 SER CB C 9 63.513 63.513 64.053 -0.540 19622
51 1 1 . 1 1 9 9 SER H H 9 7.739 7.739 8.404 -0.665 19622
52 1 1 . 1 1 10 10 GLY N N 10 110.027 110.027 108.743 1.284 19622
53 1 1 . 1 1 10 10 GLY C C 10 174.096 174.096 171.336 2.760 19622
54 1 1 . 1 1 10 10 GLY CA C 10 43.987 43.987 44.905 -0.918 19622
55 1 1 . 1 1 10 10 GLY H H 10 7.526 7.526 7.422 0.104 19622
56 1 1 . 1 1 11 11 ASP N N 11 123.154 123.154 118.372 4.782 19622
57 1 1 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.728 -0.057 19622
58 1 1 . 1 1 11 11 ASP C C 11 176.750 176.750 175.489 1.261 19622
59 1 1 . 1 1 11 11 ASP CA C 11 53.710 53.710 52.905 0.805 19622
60 1 1 . 1 1 11 11 ASP CB C 11 41.085 41.085 42.850 -1.765 19622
61 1 1 . 1 1 11 11 ASP H H 11 8.808 8.808 8.316 0.492 19622
62 1 1 . 1 1 12 12 LYS N N 12 123.685 123.685 123.854 -0.169 19622
63 1 1 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.754 -0.076 19622
64 1 1 . 1 1 12 12 LYS C C 12 174.777 174.777 175.312 -0.535 19622
65 1 1 . 1 1 12 12 LYS CA C 12 55.024 55.024 55.011 0.013 19622
66 1 1 . 1 1 12 12 LYS CB C 12 36.206 36.206 36.205 0.001 19622
67 1 1 . 1 1 12 12 LYS H H 12 9.108 9.108 8.951 0.157 19622
68 1 1 . 1 1 13 13 THR N N 13 122.136 122.136 122.958 -0.822 19622
69 1 1 . 1 1 13 13 THR HA H 13 5.314 5.314 4.827 0.487 19622
70 1 1 . 1 1 13 13 THR C C 13 174.082 174.082 174.591 -0.509 19622
71 1 1 . 1 1 13 13 THR CA C 13 62.397 62.397 63.494 -1.097 19622
72 1 1 . 1 1 13 13 THR CB C 13 69.809 69.809 68.901 0.908 19622
73 1 1 . 1 1 13 13 THR H H 13 8.935 8.935 8.552 0.383 19622
74 1 1 . 1 1 14 14 ILE N N 14 122.466 122.466 121.482 0.984 19622
75 1 1 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.680 0.148 19622
76 1 1 . 1 1 14 14 ILE C C 14 174.083 174.083 173.874 0.209 19622
77 1 1 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.648 -0.192 19622
78 1 1 . 1 1 14 14 ILE CB C 14 41.510 41.510 41.755 -0.245 19622
79 1 1 . 1 1 14 14 ILE H H 14 9.113 9.113 8.882 0.231 19622
80 1 1 . 1 1 15 15 GLU N N 15 121.208 121.208 121.972 -0.764 19622
81 1 1 . 1 1 15 15 GLU HA H 15 4.928 4.928 5.179 -0.251 19622
82 1 1 . 1 1 15 15 GLU C C 15 175.553 175.553 175.490 0.063 19622
83 1 1 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.192 -0.013 19622
84 1 1 . 1 1 15 15 GLU CB C 15 31.093 31.093 30.278 0.815 19622
85 1 1 . 1 1 15 15 GLU H H 15 8.510 8.510 8.561 -0.051 19622
86 1 1 . 1 1 16 16 CYS N N 16 125.232 125.232 124.531 0.701 19622
87 1 1 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.905 0.181 19622
88 1 1 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.440 0.221 19622
89 1 1 . 1 1 16 16 CYS CB C 16 31.298 31.298 29.420 1.878 19622
90 1 1 . 1 1 16 16 CYS H H 16 9.306 9.306 8.447 0.859 19622
91 1 1 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.301 0.234 19622
92 1 1 . 1 1 17 17 PRO C C 17 175.733 175.733 176.477 -0.744 19622
93 1 1 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.374 -0.484 19622
94 1 1 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.229 0.913 19622
95 1 1 . 1 1 18 18 ALA N N 18 120.277 120.277 120.243 0.034 19622
96 1 1 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.265 -0.013 19622
97 1 1 . 1 1 18 18 ALA C C 18 177.177 177.177 176.874 0.303 19622
98 1 1 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.519 0.434 19622
99 1 1 . 1 1 18 18 ALA CB C 18 19.449 19.449 18.875 0.574 19622
100 1 1 . 1 1 18 18 ALA H H 18 8.622 8.622 8.459 0.163 19622
101 1 1 . 1 1 19 19 ASP N N 19 112.081 112.081 110.540 1.541 19622
102 1 1 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.102 0.021 19622
103 1 1 . 1 1 19 19 ASP C C 19 175.263 175.263 175.302 -0.039 19622
104 1 1 . 1 1 19 19 ASP CA C 19 52.705 52.705 52.986 -0.281 19622
105 1 1 . 1 1 19 19 ASP CB C 19 39.747 39.747 42.150 -2.403 19622
106 1 1 . 1 1 19 19 ASP H H 19 7.950 7.950 7.708 0.242 19622
107 1 1 . 1 1 20 20 THR N N 20 117.760 117.760 117.921 -0.161 19622
108 1 1 . 1 1 20 20 THR HA H 20 4.555 4.555 4.245 0.310 19622
109 1 1 . 1 1 20 20 THR C C 20 171.521 171.521 173.472 -1.951 19622
110 1 1 . 1 1 20 20 THR CA C 20 61.849 61.849 61.404 0.445 19622
111 1 1 . 1 1 20 20 THR CB C 20 72.498 72.498 70.405 2.093 19622
112 1 1 . 1 1 20 20 THR H H 20 7.550 7.550 6.857 0.693 19622
113 1 1 . 1 1 21 21 TYR N N 21 124.181 124.181 125.384 -1.203 19622
114 1 1 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.761 -0.071 19622
115 1 1 . 1 1 21 21 TYR C C 21 171.626 171.626 177.517 -5.891 19622
116 1 1 . 1 1 21 21 TYR CA C 21 55.120 55.120 59.437 -4.317 19622
117 1 1 . 1 1 21 21 TYR CB C 21 38.570 38.570 38.163 0.407 19622
118 1 1 . 1 1 21 21 TYR H H 21 8.594 8.594 8.607 -0.013 19622
119 1 1 . 1 1 22 22 ILE N N 22 120.076 120.076 123.539 -3.463 19622
120 1 1 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.717 -0.002 19622
121 1 1 . 1 1 22 22 ILE C C 22 177.421 177.421 178.049 -0.628 19622
122 1 1 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.718 -0.277 19622
123 1 1 . 1 1 22 22 ILE CB C 22 38.297 38.297 37.916 0.381 19622
124 1 1 . 1 1 22 22 ILE H H 22 9.140 9.140 8.953 0.187 19622
125 1 1 . 1 1 23 23 LEU N N 23 115.378 115.378 117.170 -1.792 19622
126 1 1 . 1 1 23 23 LEU HA H 23 3.869 3.869 3.798 0.071 19622
127 1 1 . 1 1 23 23 LEU C C 23 176.741 176.741 178.460 -1.719 19622
128 1 1 . 1 1 23 23 LEU CA C 23 57.892 57.892 57.815 0.077 19622
129 1 1 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.163 2.466 19622
130 1 1 . 1 1 23 23 LEU H H 23 7.382 7.382 7.563 -0.181 19622
131 1 1 . 1 1 24 24 ASP N N 24 116.687 116.687 119.983 -3.296 19622
132 1 1 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.211 0.103 19622
133 1 1 . 1 1 24 24 ASP C C 24 178.902 178.902 178.045 0.857 19622
134 1 1 . 1 1 24 24 ASP CA C 24 57.792 57.792 57.893 -0.101 19622
135 1 1 . 1 1 24 24 ASP CB C 24 39.971 39.971 40.942 -0.971 19622
136 1 1 . 1 1 24 24 ASP H H 24 6.747 6.747 8.332 -1.585 19622
137 1 1 . 1 1 25 25 ALA N N 25 122.742 122.742 122.402 0.340 19622
138 1 1 . 1 1 25 25 ALA HA H 25 4.231 4.231 4.051 0.180 19622
139 1 1 . 1 1 25 25 ALA C C 25 180.559 180.559 179.324 1.235 19622
140 1 1 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.511 0.378 19622
141 1 1 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.364 0.828 19622
142 1 1 . 1 1 25 25 ALA H H 25 8.045 8.045 7.537 0.508 19622
143 1 1 . 1 1 26 26 ALA N N 26 122.264 122.264 122.761 -0.497 19622
144 1 1 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.930 0.014 19622
145 1 1 . 1 1 26 26 ALA C C 26 179.219 179.219 179.292 -0.073 19622
146 1 1 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.391 0.034 19622
147 1 1 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.571 0.124 19622
148 1 1 . 1 1 26 26 ALA H H 26 8.701 8.701 8.461 0.240 19622
149 1 1 . 1 1 27 27 GLU N N 27 119.508 119.508 118.095 1.413 19622
150 1 1 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.071 0.233 19622
151 1 1 . 1 1 27 27 GLU C C 27 169.931 169.931 178.583 -8.652 19622
152 1 1 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.499 1.044 19622
153 1 1 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.148 0.310 19622
154 1 1 . 1 1 27 27 GLU H H 27 8.567 8.567 8.214 0.353 19622
155 1 1 . 1 1 28 28 GLU N N 28 122.658 122.658 120.398 2.260 19622
156 1 1 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.053 0.052 19622
157 1 1 . 1 1 28 28 GLU C C 28 177.634 177.634 177.733 -0.099 19622
158 1 1 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.518 0.746 19622
159 1 1 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.528 -0.473 19622
160 1 1 . 1 1 28 28 GLU H H 28 8.164 8.164 7.649 0.515 19622
161 1 1 . 1 1 29 29 ALA N N 29 119.216 119.216 118.579 0.637 19622
162 1 1 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.165 0.311 19622
163 1 1 . 1 1 29 29 ALA C C 29 177.282 177.282 177.898 -0.616 19622
164 1 1 . 1 1 29 29 ALA CA C 29 52.052 52.052 53.206 -1.154 19622
165 1 1 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.733 -0.618 19622
166 1 1 . 1 1 29 29 ALA H H 29 7.433 7.433 7.970 -0.537 19622
167 1 1 . 1 1 30 30 GLY N N 30 106.654 106.654 104.985 1.669 19622
168 1 1 . 1 1 30 30 GLY C C 30 174.629 174.629 174.545 0.084 19622
169 1 1 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.646 0.745 19622
170 1 1 . 1 1 30 30 GLY H H 30 7.932 7.932 7.660 0.272 19622
171 1 1 . 1 1 31 31 LEU N N 31 121.203 121.203 120.354 0.849 19622
172 1 1 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.519 -0.063 19622
173 1 1 . 1 1 31 31 LEU C C 31 175.406 175.406 177.900 -2.494 19622
174 1 1 . 1 1 31 31 LEU CA C 31 54.656 54.656 53.998 0.658 19622
175 1 1 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.236 0.393 19622
176 1 1 . 1 1 31 31 LEU H H 31 8.078 8.078 7.511 0.567 19622
177 1 1 . 1 1 32 32 ASP N N 32 121.884 121.884 121.465 0.419 19622
178 1 1 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.609 0.300 19622
179 1 1 . 1 1 32 32 ASP C C 32 174.882 174.882 175.266 -0.384 19622
180 1 1 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.275 -0.156 19622
181 1 1 . 1 1 32 32 ASP CB C 32 41.068 41.068 38.811 2.257 19622
182 1 1 . 1 1 32 32 ASP H H 32 8.418 8.418 8.696 -0.278 19622
183 1 1 . 1 1 33 33 LEU N N 33 124.734 124.734 121.644 3.090 19622
184 1 1 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.413 0.252 19622
185 1 1 . 1 1 33 33 LEU CA C 33 51.940 51.940 52.865 -0.925 19622
186 1 1 . 1 1 33 33 LEU CB C 33 42.403 42.403 42.919 -0.516 19622
187 1 1 . 1 1 33 33 LEU H H 33 8.088 8.088 7.539 0.549 19622
188 1 1 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.500 -0.128 19622
189 1 1 . 1 1 34 34 PRO CA C 34 62.760 62.760 62.988 -0.228 19622
190 1 1 . 1 1 34 34 PRO CB C 34 32.298 32.298 32.116 0.182 19622
191 1 1 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.409 0.320 19622
192 1 1 . 1 1 46 46 ALA C C 46 178.058 178.058 177.564 0.494 19622
193 1 1 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.623 1.581 19622
194 1 1 . 1 1 46 46 ALA CB C 46 18.088 18.088 19.270 -1.183 19622
195 1 1 . 1 1 47 47 GLY N N 47 112.650 112.650 111.526 1.124 19622
196 1 1 . 1 1 47 47 GLY C C 47 178.913 178.913 172.850 6.063 19622
197 1 1 . 1 1 47 47 GLY CA C 47 44.047 44.047 44.634 -0.587 19622
198 1 1 . 1 1 47 47 GLY H H 47 9.815 9.815 8.389 1.426 19622
199 1 1 . 1 1 48 48 LYS N N 48 120.076 120.076 119.087 0.989 19622
200 1 1 . 1 1 48 48 LYS HA H 48 4.936 4.936 4.985 -0.049 19622
201 1 1 . 1 1 48 48 LYS C C 48 175.432 175.432 175.567 -0.135 19622
202 1 1 . 1 1 48 48 LYS CA C 48 54.866 54.866 53.634 1.232 19622
203 1 1 . 1 1 48 48 LYS CB C 48 36.588 36.588 35.155 1.433 19622
204 1 1 . 1 1 48 48 LYS H H 48 9.129 9.129 8.964 0.165 19622
205 1 1 . 1 1 49 49 VAL N N 49 127.642 127.642 125.996 1.646 19622
206 1 1 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.948 -0.008 19622
207 1 1 . 1 1 49 49 VAL C C 49 175.133 175.133 175.518 -0.385 19622
208 1 1 . 1 1 49 49 VAL CA C 49 63.365 63.365 63.099 0.266 19622
209 1 1 . 1 1 49 49 VAL CB C 49 31.981 31.981 31.417 0.564 19622
210 1 1 . 1 1 49 49 VAL H H 49 9.523 9.523 7.895 1.628 19622
211 1 1 . 1 1 50 50 ALA N N 50 102.132 102.132 131.789 -29.657 19622
212 1 1 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.229 0.204 19622
213 1 1 . 1 1 50 50 ALA C C 50 177.108 177.108 176.597 0.511 19622
214 1 1 . 1 1 50 50 ALA CA C 50 52.234 52.234 53.553 -1.319 19622
215 1 1 . 1 1 50 50 ALA CB C 50 19.925 19.925 19.613 0.312 19622
216 1 1 . 1 1 50 50 ALA H H 50 8.792 8.792 8.699 0.093 19622
217 1 1 . 1 1 51 51 ALA N N 51 119.480 119.480 118.882 0.598 19622
218 1 1 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.667 -0.167 19622
219 1 1 . 1 1 51 51 ALA C C 51 176.563 176.563 176.759 -0.196 19622
220 1 1 . 1 1 51 51 ALA CA C 51 52.396 52.396 50.912 1.484 19622
221 1 1 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.845 0.863 19622
222 1 1 . 1 1 51 51 ALA H H 51 7.745 7.745 7.990 -0.245 19622
223 1 1 . 1 1 52 52 GLY N N 52 108.710 108.710 107.587 1.123 19622
224 1 1 . 1 1 52 52 GLY C C 52 172.018 172.018 173.777 -1.759 19622
225 1 1 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.245 -1.216 19622
226 1 1 . 1 1 52 52 GLY H H 52 8.516 8.516 8.516 0.000 19622
227 1 1 . 1 1 53 53 THR N N 53 106.654 106.654 110.535 -3.881 19622
228 1 1 . 1 1 53 53 THR HA H 53 4.707 4.707 4.636 0.071 19622
229 1 1 . 1 1 53 53 THR C C 53 173.198 173.198 172.746 0.452 19622
230 1 1 . 1 1 53 53 THR CA C 53 59.740 59.740 59.670 0.070 19622
231 1 1 . 1 1 53 53 THR CB C 53 72.296 72.296 72.292 0.004 19622
232 1 1 . 1 1 53 53 THR H H 53 7.932 7.932 7.916 0.016 19622
233 1 1 . 1 1 54 54 VAL N N 54 110.217 110.217 114.702 -4.485 19622
234 1 1 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.798 0.232 19622
235 1 1 . 1 1 54 54 VAL C C 54 174.681 174.681 174.011 0.670 19622
236 1 1 . 1 1 54 54 VAL CA C 54 58.343 58.343 59.381 -1.038 19622
237 1 1 . 1 1 54 54 VAL CB C 54 36.031 36.031 35.422 0.609 19622
238 1 1 . 1 1 54 54 VAL H H 54 8.211 8.211 8.148 0.063 19622
239 1 1 . 1 1 55 55 ASP N N 55 121.085 121.085 120.995 0.090 19622
240 1 1 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.777 0.242 19622
241 1 1 . 1 1 55 55 ASP C C 55 175.900 175.900 175.106 0.794 19622
242 1 1 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.519 -0.340 19622
243 1 1 . 1 1 55 55 ASP CB C 55 43.430 43.430 40.880 2.550 19622
244 1 1 . 1 1 55 55 ASP H H 55 9.535 9.535 8.816 0.719 19622
245 1 1 . 1 1 56 56 GLN N N 56 124.248 124.248 125.176 -0.928 19622
246 1 1 . 1 1 56 56 GLN HA H 56 5.532 5.532 4.890 0.642 19622
247 1 1 . 1 1 56 56 GLN C C 56 176.233 176.233 176.050 0.183 19622
248 1 1 . 1 1 56 56 GLN CA C 56 53.067 53.067 54.416 -1.349 19622
249 1 1 . 1 1 56 56 GLN CB C 56 28.423 28.423 29.067 -0.644 19622
250 1 1 . 1 1 56 56 GLN H H 56 9.270 9.270 7.883 1.387 19622
251 1 1 . 1 1 57 57 SER N N 57 118.299 118.299 117.658 0.641 19622
252 1 1 . 1 1 57 57 SER HA H 57 4.234 4.234 4.132 0.102 19622
253 1 1 . 1 1 57 57 SER C C 57 175.154 175.154 174.143 1.011 19622
254 1 1 . 1 1 57 57 SER CA C 57 62.676 62.676 60.968 1.708 19622
255 1 1 . 1 1 57 57 SER CB C 57 63.213 63.213 63.129 0.084 19622
256 1 1 . 1 1 57 57 SER H H 57 8.491 8.491 8.433 0.058 19622
257 1 1 . 1 1 58 58 ASP N N 58 119.055 119.055 117.393 1.662 19622
258 1 1 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.790 -0.071 19622
259 1 1 . 1 1 58 58 ASP C C 58 176.196 176.196 174.878 1.318 19622
260 1 1 . 1 1 58 58 ASP CA C 58 55.408 55.408 53.626 1.782 19622
261 1 1 . 1 1 58 58 ASP CB C 58 40.293 40.293 42.056 -1.763 19622
262 1 1 . 1 1 58 58 ASP H H 58 8.885 8.885 7.972 0.913 19622
263 1 1 . 1 1 59 59 GLN N N 59 122.287 122.287 120.782 1.505 19622
264 1 1 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.466 -0.251 19622
265 1 1 . 1 1 59 59 GLN C C 59 174.169 174.169 175.294 -1.125 19622
266 1 1 . 1 1 59 59 GLN CA C 59 55.943 55.943 55.465 0.478 19622
267 1 1 . 1 1 59 59 GLN CB C 59 29.290 29.290 30.294 -1.004 19622
268 1 1 . 1 1 59 59 GLN H H 59 8.394 8.394 8.643 -0.249 19622
269 1 1 . 1 1 60 60 SER N N 60 113.844 113.844 114.072 -0.228 19622
270 1 1 . 1 1 60 60 SER HA H 60 4.729 4.729 4.195 0.534 19622
271 1 1 . 1 1 60 60 SER C C 60 173.467 173.467 175.290 -1.823 19622
272 1 1 . 1 1 60 60 SER CA C 60 58.201 58.201 59.164 -0.963 19622
273 1 1 . 1 1 60 60 SER CB C 60 65.221 65.221 63.449 1.772 19622
274 1 1 . 1 1 60 60 SER H H 60 8.871 8.871 7.893 0.978 19622
275 1 1 . 1 1 61 61 PHE N N 61 123.610 123.610 120.118 3.492 19622
276 1 1 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.140 0.257 19622
277 1 1 . 1 1 61 61 PHE C C 61 176.268 176.268 173.845 2.423 19622
278 1 1 . 1 1 61 61 PHE CA C 61 60.986 60.986 60.273 0.713 19622
279 1 1 . 1 1 61 61 PHE CB C 61 43.362 43.362 38.376 4.986 19622
280 1 1 . 1 1 61 61 PHE H H 61 7.691 7.691 8.699 -1.008 19622
281 1 1 . 1 1 62 62 LEU N N 62 121.203 121.203 122.419 -1.216 19622
282 1 1 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.242 0.104 19622
283 1 1 . 1 1 62 62 LEU C C 62 177.920 177.920 174.924 2.996 19622
284 1 1 . 1 1 62 62 LEU CA C 62 54.152 54.152 54.503 -0.351 19622
285 1 1 . 1 1 62 62 LEU CB C 62 42.638 42.638 43.435 -0.797 19622
286 1 1 . 1 1 62 62 LEU H H 62 10.705 10.705 8.103 2.602 19622
287 1 1 . 1 1 63 63 ASP N N 63 121.418 121.418 123.562 -2.144 19622
288 1 1 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.790 -0.110 19622
289 1 1 . 1 1 63 63 ASP C C 63 176.479 176.479 176.516 -0.037 19622
290 1 1 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.047 -1.309 19622
291 1 1 . 1 1 63 63 ASP CB C 63 41.706 41.706 44.333 -2.627 19622
292 1 1 . 1 1 63 63 ASP H H 63 8.672 8.672 8.130 0.542 19622
293 1 1 . 1 1 64 64 ASP N N 64 117.220 117.220 120.828 -3.608 19622
294 1 1 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.258 0.025 19622
295 1 1 . 1 1 64 64 ASP C C 64 179.309 179.309 178.134 1.175 19622
296 1 1 . 1 1 64 64 ASP CA C 64 57.917 57.917 58.222 -0.305 19622
297 1 1 . 1 1 64 64 ASP CB C 64 40.862 40.862 41.236 -0.374 19622
298 1 1 . 1 1 64 64 ASP H H 64 8.282 8.282 8.697 -0.415 19622
299 1 1 . 1 1 65 65 ALA N N 65 125.398 125.398 121.093 4.305 19622
300 1 1 . 1 1 65 65 ALA HA H 65 4.137 4.137 4.108 0.029 19622
301 1 1 . 1 1 65 65 ALA C C 65 180.917 180.917 179.924 0.993 19622
302 1 1 . 1 1 65 65 ALA CA C 65 54.858 54.858 54.743 0.115 19622
303 1 1 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.193 -0.444 19622
304 1 1 . 1 1 65 65 ALA H H 65 8.215 8.215 8.385 -0.170 19622
305 1 1 . 1 1 66 66 GLN N N 66 119.386 119.386 116.364 3.022 19622
306 1 1 . 1 1 66 66 GLN HA H 66 4.315 4.315 4.150 0.165 19622
307 1 1 . 1 1 66 66 GLN C C 66 180.587 180.587 178.125 2.462 19622
308 1 1 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.044 1.007 19622
309 1 1 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.376 0.351 19622
310 1 1 . 1 1 66 66 GLN H H 66 8.821 8.821 7.745 1.076 19622
311 1 1 . 1 1 67 67 MET N N 67 118.975 118.975 120.711 -1.736 19622
312 1 1 . 1 1 67 67 MET HA H 67 4.432 4.432 4.485 -0.053 19622
313 1 1 . 1 1 67 67 MET C C 67 181.267 181.267 178.295 2.972 19622
314 1 1 . 1 1 67 67 MET CA C 67 59.988 59.988 57.598 2.390 19622
315 1 1 . 1 1 67 67 MET CB C 67 33.535 33.535 32.304 1.231 19622
316 1 1 . 1 1 67 67 MET H H 67 8.504 8.504 7.824 0.680 19622
317 1 1 . 1 1 68 68 GLY N N 68 110.904 110.904 105.552 5.352 19622
318 1 1 . 1 1 68 68 GLY C C 68 174.778 174.778 175.732 -0.954 19622
319 1 1 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.453 0.234 19622
320 1 1 . 1 1 68 68 GLY H H 68 8.697 8.697 8.006 0.691 19622
321 1 1 . 1 1 69 69 ASN N N 69 118.203 118.203 118.154 0.049 19622
322 1 1 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.581 0.311 19622
323 1 1 . 1 1 69 69 ASN C C 69 174.610 174.610 174.756 -0.146 19622
324 1 1 . 1 1 69 69 ASN CA C 69 53.121 53.121 52.550 0.571 19622
325 1 1 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.921 0.474 19622
326 1 1 . 1 1 69 69 ASN H H 69 7.536 7.536 7.483 0.053 19622
327 1 1 . 1 1 70 70 GLY N N 70 104.994 104.994 106.029 -1.035 19622
328 1 1 . 1 1 70 70 GLY C C 70 174.423 174.423 173.498 0.925 19622
329 1 1 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.600 0.578 19622
330 1 1 . 1 1 70 70 GLY H H 70 7.725 7.725 6.987 0.738 19622
331 1 1 . 1 1 71 71 PHE N N 71 117.987 117.987 119.459 -1.472 19622
332 1 1 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.894 0.147 19622
333 1 1 . 1 1 71 71 PHE C C 71 175.618 175.618 174.307 1.311 19622
334 1 1 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.877 4.613 19622
335 1 1 . 1 1 71 71 PHE CB C 71 39.860 39.860 41.349 -1.489 19622
336 1 1 . 1 1 71 71 PHE H H 71 7.750 7.750 7.956 -0.206 19622
337 1 1 . 1 1 72 72 VAL N N 72 117.069 117.069 116.770 0.299 19622
338 1 1 . 1 1 72 72 VAL HA H 72 5.073 5.073 4.655 0.418 19622
339 1 1 . 1 1 72 72 VAL CA C 72 57.273 57.273 60.028 -2.755 19622
340 1 1 . 1 1 72 72 VAL CB C 72 34.219 34.219 35.933 -1.714 19622
341 1 1 . 1 1 72 72 VAL H H 72 8.578 8.578 9.177 -0.599 19622
342 1 1 . 1 1 76 76 VAL HA H 76 2.939 2.939 3.918 -0.979 19622
343 1 1 . 1 1 76 76 VAL C C 76 172.825 172.825 173.586 -0.761 19622
344 1 1 . 1 1 76 76 VAL CA C 76 59.273 59.273 61.007 -1.734 19622
345 1 1 . 1 1 76 76 VAL CB C 76 31.330 31.330 31.683 -0.353 19622
346 1 1 . 1 1 77 77 ALA N N 77 120.939 120.939 120.987 -0.048 19622
347 1 1 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.252 -0.111 19622
348 1 1 . 1 1 77 77 ALA C C 77 175.744 175.744 175.179 0.565 19622
349 1 1 . 1 1 77 77 ALA CA C 77 49.687 49.687 51.316 -1.629 19622
350 1 1 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.174 0.165 19622
351 1 1 . 1 1 77 77 ALA H H 77 6.318 6.318 7.461 -1.143 19622
352 1 1 . 1 1 78 78 TYR N N 78 122.466 122.466 117.463 5.003 19622
353 1 1 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.043 0.337 19622
354 1 1 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.444 -0.048 19622
355 1 1 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.420 0.240 19622
356 1 1 . 1 1 78 78 TYR H H 78 9.113 9.113 7.574 1.539 19622
357 1 1 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.703 0.041 19622
358 1 1 . 1 1 79 79 PRO C C 79 176.434 176.434 176.862 -0.428 19622
359 1 1 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.925 0.420 19622
360 1 1 . 1 1 79 79 PRO CB C 79 31.141 31.141 31.699 -0.558 19622
361 1 1 . 1 1 80 80 THR N N 80 110.712 110.712 114.188 -3.476 19622
362 1 1 . 1 1 80 80 THR HA H 80 4.204 4.204 4.012 0.192 19622
363 1 1 . 1 1 80 80 THR C C 80 171.733 171.733 174.157 -2.424 19622
364 1 1 . 1 1 80 80 THR CA C 80 60.121 60.121 62.255 -2.134 19622
365 1 1 . 1 1 80 80 THR CB C 80 68.267 68.267 69.099 -0.832 19622
366 1 1 . 1 1 80 80 THR H H 80 8.470 8.470 8.037 0.433 19622
367 1 1 . 1 1 81 81 SER N N 81 114.994 114.994 114.668 0.326 19622
368 1 1 . 1 1 81 81 SER HA H 81 3.869 3.869 4.436 -0.567 19622
369 1 1 . 1 1 81 81 SER C C 81 172.754 172.754 171.900 0.854 19622
370 1 1 . 1 1 81 81 SER CA C 81 57.892 57.892 56.994 0.898 19622
371 1 1 . 1 1 81 81 SER CB C 81 66.405 66.405 64.964 1.441 19622
372 1 1 . 1 1 81 81 SER H H 81 7.604 7.604 7.094 0.510 19622
373 1 1 . 1 1 82 82 ASP N N 82 120.462 120.462 123.386 -2.924 19622
374 1 1 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.931 0.233 19622
375 1 1 . 1 1 82 82 ASP C C 82 178.987 178.987 176.054 2.933 19622
376 1 1 . 1 1 82 82 ASP CA C 82 56.313 56.313 55.446 0.867 19622
377 1 1 . 1 1 82 82 ASP CB C 82 39.386 39.386 40.864 -1.478 19622
378 1 1 . 1 1 82 82 ASP H H 82 8.690 8.690 8.611 0.079 19622
379 1 1 . 1 1 83 83 CYS N N 83 120.974 120.974 120.568 0.406 19622
380 1 1 . 1 1 83 83 CYS HA H 83 5.139 5.139 4.853 0.286 19622
381 1 1 . 1 1 83 83 CYS C C 83 172.614 172.614 173.258 -0.644 19622
382 1 1 . 1 1 83 83 CYS CA C 83 56.370 56.370 56.024 0.346 19622
383 1 1 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.594 -0.044 19622
384 1 1 . 1 1 83 83 CYS H H 83 8.922 8.922 8.612 0.310 19622
385 1 1 . 1 1 84 84 THR N N 84 116.819 116.819 116.507 0.312 19622
386 1 1 . 1 1 84 84 THR HA H 84 5.464 5.464 4.877 0.587 19622
387 1 1 . 1 1 84 84 THR C C 84 173.477 173.477 172.881 0.596 19622
388 1 1 . 1 1 84 84 THR CA C 84 61.171 61.171 62.156 -0.985 19622
389 1 1 . 1 1 84 84 THR CB C 84 70.791 70.791 70.786 0.005 19622
390 1 1 . 1 1 84 84 THR H H 84 8.637 8.637 8.132 0.505 19622
391 1 1 . 1 1 85 85 ILE N N 85 127.705 127.705 126.619 1.086 19622
392 1 1 . 1 1 85 85 ILE HA H 85 4.831 4.831 4.984 -0.153 19622
393 1 1 . 1 1 85 85 ILE C C 85 174.828 174.828 175.504 -0.676 19622
394 1 1 . 1 1 85 85 ILE CA C 85 57.901 57.901 57.968 -0.066 19622
395 1 1 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.181 2.386 19622
396 1 1 . 1 1 85 85 ILE H H 85 9.433 9.433 9.119 0.314 19622
397 1 1 . 1 1 86 86 GLN N N 86 128.424 128.424 128.004 0.420 19622
398 1 1 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.650 0.431 19622
399 1 1 . 1 1 86 86 GLN C C 86 176.145 176.145 177.136 -0.991 19622
400 1 1 . 1 1 86 86 GLN CA C 86 54.821 54.821 57.319 -2.498 19622
401 1 1 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.606 -0.917 19622
402 1 1 . 1 1 86 86 GLN H H 86 9.533 9.533 9.064 0.469 19622
403 1 1 . 1 1 87 87 THR N N 87 117.634 117.634 119.793 -2.159 19622
404 1 1 . 1 1 87 87 THR HA H 87 4.600 4.600 4.531 0.069 19622
405 1 1 . 1 1 87 87 THR C C 87 175.822 175.822 176.615 -0.793 19622
406 1 1 . 1 1 87 87 THR CA C 87 62.643 62.643 63.634 -0.991 19622
407 1 1 . 1 1 87 87 THR CB C 87 68.604 68.604 69.077 -0.473 19622
408 1 1 . 1 1 87 87 THR H H 87 8.292 8.292 8.987 -0.695 19622
409 1 1 . 1 1 88 88 HIS N N 88 117.083 117.083 119.559 -2.476 19622
410 1 1 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.599 -0.019 19622
411 1 1 . 1 1 88 88 HIS C C 88 177.884 177.884 175.091 2.793 19622
412 1 1 . 1 1 88 88 HIS CA C 88 58.580 58.580 56.982 1.598 19622
413 1 1 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.085 -1.745 19622
414 1 1 . 1 1 88 88 HIS H H 88 9.658 9.658 8.885 0.773 19622
415 1 1 . 1 1 89 89 GLN N N 89 112.869 112.869 118.435 -5.566 19622
416 1 1 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.583 0.152 19622
417 1 1 . 1 1 89 89 GLN C C 89 175.239 175.239 176.502 -1.263 19622
418 1 1 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.967 -1.018 19622
419 1 1 . 1 1 89 89 GLN CB C 89 29.312 29.312 27.600 1.712 19622
420 1 1 . 1 1 89 89 GLN H H 89 7.591 7.591 7.788 -0.197 19622
421 1 1 . 1 1 90 90 GLU N N 90 122.583 122.583 121.273 1.310 19622
422 1 1 . 1 1 90 90 GLU HA H 90 3.588 3.588 4.168 -0.580 19622
423 1 1 . 1 1 90 90 GLU C C 90 177.210 177.210 178.137 -0.927 19622
424 1 1 . 1 1 90 90 GLU CA C 90 61.485 61.485 59.529 1.956 19622
425 1 1 . 1 1 90 90 GLU CB C 90 29.147 29.147 28.254 0.893 19622
426 1 1 . 1 1 90 90 GLU H H 90 8.327 8.327 7.749 0.578 19622
427 1 1 . 1 1 91 91 GLU N N 91 115.209 115.209 120.831 -5.622 19622
428 1 1 . 1 1 91 91 GLU HA H 91 4.041 4.041 4.096 -0.055 19622
429 1 1 . 1 1 91 91 GLU C C 91 179.055 179.055 177.964 1.091 19622
430 1 1 . 1 1 91 91 GLU CA C 91 59.647 59.647 58.644 1.004 19622
431 1 1 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.215 -0.389 19622
432 1 1 . 1 1 91 91 GLU H H 91 8.666 8.666 8.500 0.166 19622
433 1 1 . 1 1 92 92 ALA N N 92 121.790 121.790 120.479 1.311 19622
434 1 1 . 1 1 92 92 ALA HA H 92 4.212 4.212 3.727 0.485 19622
435 1 1 . 1 1 92 92 ALA C C 92 179.762 179.762 179.258 0.504 19622
436 1 1 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.428 -0.228 19622
437 1 1 . 1 1 92 92 ALA CB C 92 16.917 16.917 17.882 -0.965 19622
438 1 1 . 1 1 92 92 ALA H H 92 7.628 7.628 7.951 -0.323 19622
439 1 1 . 1 1 93 93 LEU N N 93 119.699 119.699 117.165 2.534 19622
440 1 1 . 1 1 93 93 LEU HA H 93 3.263 3.263 3.795 -0.532 19622
441 1 1 . 1 1 93 93 LEU C C 93 177.803 177.803 177.043 0.760 19622
442 1 1 . 1 1 93 93 LEU CA C 93 57.031 57.031 57.267 -0.237 19622
443 1 1 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.782 -0.472 19622
444 1 1 . 1 1 93 93 LEU H H 93 7.694 7.694 7.359 0.335 19622
445 1 1 . 1 1 94 94 TYR N N 94 116.307 116.307 119.247 -2.940 19622
446 1 1 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.267 0.107 19622
447 1 1 . 1 1 94 94 TYR C C 94 176.548 176.548 176.674 -0.126 19622
448 1 1 . 1 1 94 94 TYR CA C 94 58.822 58.822 59.343 -0.521 19622
449 1 1 . 1 1 94 94 TYR CB C 94 38.500 38.500 40.020 -1.520 19622
450 1 1 . 1 1 94 94 TYR H H 94 7.343 7.343 7.528 -0.185 19622
451 1 1 . 1 1 95 95 GLU N N 95 120.194 120.194 115.928 4.266 19622
452 1 1 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.155 0.006 19622
453 1 1 . 1 1 95 95 GLU C C 95 176.704 176.704 175.006 1.698 19622
454 1 1 . 1 1 95 95 GLU CA C 95 57.795 57.795 55.917 1.878 19622
455 1 1 . 1 1 95 95 GLU CB C 95 30.121 30.121 30.784 -0.663 19622
456 1 1 . 1 1 95 95 GLU H H 95 7.707 7.707 7.717 -0.010 19622
457 1 1 . 1 1 96 96 ASN N N 96 118.074 118.074 115.744 2.330 19622
458 1 1 . 1 1 96 96 ASN HA H 96 4.580 4.580 4.126 0.454 19622
459 1 1 . 1 1 96 96 ASN C C 96 176.061 176.061 174.525 1.536 19622
460 1 1 . 1 1 96 96 ASN CA C 96 54.092 54.092 53.080 1.012 19622
461 1 1 . 1 1 96 96 ASN CB C 96 38.864 38.864 37.560 1.304 19622
462 1 1 . 1 1 96 96 ASN H H 96 8.195 8.195 7.771 0.424 19622
463 1 1 . 1 1 97 97 LEU N N 97 120.760 120.760 122.143 -1.383 19622
464 1 1 . 1 1 97 97 LEU HA H 97 4.142 4.142 4.111 0.031 19622
465 1 1 . 1 1 97 97 LEU C C 97 177.094 177.094 175.893 1.201 19622
466 1 1 . 1 1 97 97 LEU CA C 97 55.429 55.429 54.448 0.981 19622
467 1 1 . 1 1 97 97 LEU CB C 97 42.562 42.562 41.982 0.580 19622
468 1 1 . 1 1 97 97 LEU H H 97 7.912 7.912 7.984 -0.072 19622
469 1 1 . 1 1 98 98 TYR N N 98 118.892 118.892 115.037 3.855 19622
470 1 1 . 1 1 98 98 TYR HA H 98 4.520 4.520 4.178 0.342 19622
471 1 1 . 1 1 98 98 TYR C C 98 175.296 175.296 175.151 0.145 19622
472 1 1 . 1 1 98 98 TYR CA C 98 57.640 57.640 58.464 -0.824 19622
473 1 1 . 1 1 98 98 TYR CB C 98 38.660 38.660 35.691 2.969 19622
474 1 1 . 1 1 98 98 TYR H H 98 7.898 7.898 7.652 0.246 19622
475 1 1 . 1 1 99 99 PHE N N 99 121.225 121.225 118.956 2.269 19622
476 1 1 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.756 -0.278 19622
477 1 1 . 1 1 99 99 PHE C C 99 174.558 174.558 176.950 -2.392 19622
478 1 1 . 1 1 99 99 PHE CA C 99 58.151 58.151 57.195 0.956 19622
479 1 1 . 1 1 99 99 PHE CB C 99 39.561 39.561 39.798 -0.237 19622
480 1 1 . 1 1 99 99 PHE H H 99 7.931 7.931 7.645 0.286 19622
481 1 2 . 1 1 1 1 TYR N N 1 121.776 121.776 117.589 4.187 19622
482 1 2 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.762 0.138 19622
483 1 2 . 1 1 1 1 TYR C C 1 174.477 174.477 175.347 -0.870 19622
484 1 2 . 1 1 1 1 TYR CA C 1 57.340 57.340 57.221 0.119 19622
485 1 2 . 1 1 1 1 TYR CB C 1 40.147 40.147 42.148 -2.001 19622
486 1 2 . 1 1 1 1 TYR H H 1 8.204 8.204 8.716 -0.512 19622
487 1 2 . 1 1 2 2 LYS N N 2 122.911 122.911 124.790 -1.879 19622
488 1 2 . 1 1 2 2 LYS HA H 2 4.719 4.719 5.190 -0.471 19622
489 1 2 . 1 1 2 2 LYS C C 2 176.369 176.369 175.874 0.495 19622
490 1 2 . 1 1 2 2 LYS CA C 2 55.408 55.408 56.296 -0.888 19622
491 1 2 . 1 1 2 2 LYS CB C 2 32.636 32.636 32.829 -0.193 19622
492 1 2 . 1 1 2 2 LYS H H 2 9.291 9.291 9.241 0.050 19622
493 1 2 . 1 1 3 3 VAL N N 3 128.453 128.453 126.212 2.241 19622
494 1 2 . 1 1 3 3 VAL HA H 3 4.974 4.974 5.004 -0.030 19622
495 1 2 . 1 1 3 3 VAL C C 3 175.283 175.283 174.741 0.542 19622
496 1 2 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.572 0.829 19622
497 1 2 . 1 1 3 3 VAL CB C 3 33.332 33.332 34.794 -1.462 19622
498 1 2 . 1 1 3 3 VAL H H 3 9.268 9.268 8.744 0.524 19622
499 1 2 . 1 1 4 4 THR N N 4 126.298 126.298 126.766 -0.468 19622
500 1 2 . 1 1 4 4 THR HA H 4 4.316 4.316 4.590 -0.274 19622
501 1 2 . 1 1 4 4 THR C C 4 172.907 172.907 174.073 -1.166 19622
502 1 2 . 1 1 4 4 THR CA C 4 63.342 63.342 62.603 0.739 19622
503 1 2 . 1 1 4 4 THR CB C 4 69.170 69.170 68.815 0.355 19622
504 1 2 . 1 1 4 4 THR H H 4 9.623 9.623 9.105 0.518 19622
505 1 2 . 1 1 5 5 LEU N N 5 130.058 130.058 130.735 -0.677 19622
506 1 2 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.875 0.298 19622
507 1 2 . 1 1 5 5 LEU C C 5 174.969 174.969 176.096 -1.127 19622
508 1 2 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.687 -1.966 19622
509 1 2 . 1 1 5 5 LEU CB C 5 41.530 41.530 42.922 -1.392 19622
510 1 2 . 1 1 5 5 LEU H H 5 9.554 9.554 9.213 0.341 19622
511 1 2 . 1 1 6 6 LYS N N 6 124.882 124.882 125.731 -0.849 19622
512 1 2 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.670 0.214 19622
513 1 2 . 1 1 6 6 LYS C C 6 175.730 175.730 175.695 0.035 19622
514 1 2 . 1 1 6 6 LYS CA C 6 55.335 55.335 55.325 0.010 19622
515 1 2 . 1 1 6 6 LYS CB C 6 31.006 31.006 32.831 -1.825 19622
516 1 2 . 1 1 6 6 LYS H H 6 9.072 9.072 8.707 0.365 19622
517 1 2 . 1 1 7 7 THR N N 7 117.987 117.987 118.243 -0.256 19622
518 1 2 . 1 1 7 7 THR HA H 7 5.708 5.708 5.391 0.317 19622
519 1 2 . 1 1 7 7 THR CA C 7 59.875 59.875 58.361 1.514 19622
520 1 2 . 1 1 7 7 THR CB C 7 69.582 69.582 69.920 -0.338 19622
521 1 2 . 1 1 7 7 THR H H 7 7.750 7.750 8.391 -0.641 19622
522 1 2 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.376 -0.042 19622
523 1 2 . 1 1 8 8 PRO C C 8 177.136 177.136 176.818 0.318 19622
524 1 2 . 1 1 8 8 PRO CA C 8 64.777 64.777 64.985 -0.208 19622
525 1 2 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.519 0.215 19622
526 1 2 . 1 1 9 9 SER N N 9 109.200 109.200 111.563 -2.363 19622
527 1 2 . 1 1 9 9 SER HA H 9 4.629 4.629 4.469 0.160 19622
528 1 2 . 1 1 9 9 SER C C 9 173.571 173.571 174.801 -1.230 19622
529 1 2 . 1 1 9 9 SER CA C 9 57.371 57.371 58.944 -1.573 19622
530 1 2 . 1 1 9 9 SER CB C 9 63.513 63.513 64.676 -1.163 19622
531 1 2 . 1 1 9 9 SER H H 9 7.739 7.739 7.886 -0.147 19622
532 1 2 . 1 1 10 10 GLY N N 10 110.027 110.027 109.438 0.589 19622
533 1 2 . 1 1 10 10 GLY C C 10 174.096 174.096 171.533 2.563 19622
534 1 2 . 1 1 10 10 GLY CA C 10 43.987 43.987 44.573 -0.586 19622
535 1 2 . 1 1 10 10 GLY H H 10 7.526 7.526 7.538 -0.012 19622
536 1 2 . 1 1 11 11 ASP N N 11 123.154 123.154 118.438 4.716 19622
537 1 2 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.734 -0.064 19622
538 1 2 . 1 1 11 11 ASP C C 11 176.750 176.750 175.718 1.032 19622
539 1 2 . 1 1 11 11 ASP CA C 11 53.710 53.710 53.246 0.464 19622
540 1 2 . 1 1 11 11 ASP CB C 11 41.085 41.085 42.304 -1.219 19622
541 1 2 . 1 1 11 11 ASP H H 11 8.808 8.808 8.361 0.447 19622
542 1 2 . 1 1 12 12 LYS N N 12 123.685 123.685 123.366 0.319 19622
543 1 2 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.668 0.010 19622
544 1 2 . 1 1 12 12 LYS C C 12 174.777 174.777 175.307 -0.530 19622
545 1 2 . 1 1 12 12 LYS CA C 12 55.024 55.024 54.822 0.202 19622
546 1 2 . 1 1 12 12 LYS CB C 12 36.206 36.206 36.044 0.162 19622
547 1 2 . 1 1 12 12 LYS H H 12 9.108 9.108 8.871 0.237 19622
548 1 2 . 1 1 13 13 THR N N 13 122.136 122.136 122.707 -0.571 19622
549 1 2 . 1 1 13 13 THR HA H 13 5.314 5.314 4.774 0.540 19622
550 1 2 . 1 1 13 13 THR C C 13 174.082 174.082 174.740 -0.658 19622
551 1 2 . 1 1 13 13 THR CA C 13 62.397 62.397 62.973 -0.576 19622
552 1 2 . 1 1 13 13 THR CB C 13 69.809 69.809 68.756 1.053 19622
553 1 2 . 1 1 13 13 THR H H 13 8.935 8.935 8.503 0.432 19622
554 1 2 . 1 1 14 14 ILE N N 14 122.466 122.466 121.222 1.244 19622
555 1 2 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.690 0.138 19622
556 1 2 . 1 1 14 14 ILE C C 14 174.083 174.083 174.078 0.005 19622
557 1 2 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.703 -0.247 19622
558 1 2 . 1 1 14 14 ILE CB C 14 41.510 41.510 41.492 0.018 19622
559 1 2 . 1 1 14 14 ILE H H 14 9.113 9.113 8.879 0.234 19622
560 1 2 . 1 1 15 15 GLU N N 15 121.208 121.208 121.594 -0.386 19622
561 1 2 . 1 1 15 15 GLU HA H 15 4.928 4.928 5.007 -0.079 19622
562 1 2 . 1 1 15 15 GLU C C 15 175.553 175.553 175.398 0.155 19622
563 1 2 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.150 0.029 19622
564 1 2 . 1 1 15 15 GLU CB C 15 31.093 31.093 30.409 0.684 19622
565 1 2 . 1 1 15 15 GLU H H 15 8.510 8.510 8.436 0.074 19622
566 1 2 . 1 1 16 16 CYS N N 16 125.232 125.232 124.831 0.401 19622
567 1 2 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.865 0.221 19622
568 1 2 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.264 0.397 19622
569 1 2 . 1 1 16 16 CYS CB C 16 31.298 31.298 28.846 2.453 19622
570 1 2 . 1 1 16 16 CYS H H 16 9.306 9.306 9.130 0.176 19622
571 1 2 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.301 0.234 19622
572 1 2 . 1 1 17 17 PRO C C 17 175.733 175.733 176.482 -0.749 19622
573 1 2 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.357 -0.467 19622
574 1 2 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.230 0.912 19622
575 1 2 . 1 1 18 18 ALA N N 18 120.277 120.277 120.717 -0.440 19622
576 1 2 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.214 0.038 19622
577 1 2 . 1 1 18 18 ALA C C 18 177.177 177.177 176.801 0.376 19622
578 1 2 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.431 0.522 19622
579 1 2 . 1 1 18 18 ALA CB C 18 19.449 19.449 18.752 0.698 19622
580 1 2 . 1 1 18 18 ALA H H 18 8.622 8.622 8.464 0.158 19622
581 1 2 . 1 1 19 19 ASP N N 19 112.081 112.081 110.383 1.698 19622
582 1 2 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.284 -0.161 19622
583 1 2 . 1 1 19 19 ASP C C 19 175.263 175.263 175.476 -0.213 19622
584 1 2 . 1 1 19 19 ASP CA C 19 52.705 52.705 53.163 -0.458 19622
585 1 2 . 1 1 19 19 ASP CB C 19 39.747 39.747 42.152 -2.405 19622
586 1 2 . 1 1 19 19 ASP H H 19 7.950 7.950 7.771 0.179 19622
587 1 2 . 1 1 20 20 THR N N 20 117.760 117.760 118.356 -0.596 19622
588 1 2 . 1 1 20 20 THR HA H 20 4.555 4.555 4.649 -0.094 19622
589 1 2 . 1 1 20 20 THR C C 20 171.521 171.521 173.196 -1.675 19622
590 1 2 . 1 1 20 20 THR CA C 20 61.849 61.849 61.401 0.448 19622
591 1 2 . 1 1 20 20 THR CB C 20 72.498 72.498 70.864 1.634 19622
592 1 2 . 1 1 20 20 THR H H 20 7.550 7.550 7.032 0.518 19622
593 1 2 . 1 1 21 21 TYR N N 21 124.181 124.181 123.446 0.735 19622
594 1 2 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.730 -0.040 19622
595 1 2 . 1 1 21 21 TYR C C 21 171.626 171.626 175.779 -4.153 19622
596 1 2 . 1 1 21 21 TYR CA C 21 55.120 55.120 57.787 -2.667 19622
597 1 2 . 1 1 21 21 TYR CB C 21 38.570 38.570 38.124 0.446 19622
598 1 2 . 1 1 21 21 TYR H H 21 8.594 8.594 8.816 -0.222 19622
599 1 2 . 1 1 22 22 ILE N N 22 120.076 120.076 123.744 -3.668 19622
600 1 2 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.702 0.013 19622
601 1 2 . 1 1 22 22 ILE C C 22 177.421 177.421 178.235 -0.814 19622
602 1 2 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.653 -0.212 19622
603 1 2 . 1 1 22 22 ILE CB C 22 38.297 38.297 38.117 0.180 19622
604 1 2 . 1 1 22 22 ILE H H 22 9.140 9.140 9.165 -0.025 19622
605 1 2 . 1 1 23 23 LEU N N 23 115.378 115.378 120.801 -5.423 19622
606 1 2 . 1 1 23 23 LEU HA H 23 3.869 3.869 3.809 0.060 19622
607 1 2 . 1 1 23 23 LEU C C 23 176.741 176.741 178.254 -1.513 19622
608 1 2 . 1 1 23 23 LEU CA C 23 57.892 57.892 58.451 -0.559 19622
609 1 2 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.848 1.781 19622
610 1 2 . 1 1 23 23 LEU H H 23 7.382 7.382 8.081 -0.699 19622
611 1 2 . 1 1 24 24 ASP N N 24 116.687 116.687 118.348 -1.661 19622
612 1 2 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.018 0.296 19622
613 1 2 . 1 1 24 24 ASP C C 24 178.902 178.902 177.716 1.186 19622
614 1 2 . 1 1 24 24 ASP CA C 24 57.792 57.792 57.372 0.420 19622
615 1 2 . 1 1 24 24 ASP CB C 24 39.971 39.971 40.333 -0.362 19622
616 1 2 . 1 1 24 24 ASP H H 24 6.747 6.747 7.447 -0.700 19622
617 1 2 . 1 1 25 25 ALA N N 25 122.742 122.742 121.221 1.521 19622
618 1 2 . 1 1 25 25 ALA HA H 25 4.231 4.231 3.991 0.240 19622
619 1 2 . 1 1 25 25 ALA C C 25 180.559 180.559 179.313 1.246 19622
620 1 2 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.566 0.324 19622
621 1 2 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.347 0.845 19622
622 1 2 . 1 1 25 25 ALA H H 25 8.045 8.045 7.445 0.600 19622
623 1 2 . 1 1 26 26 ALA N N 26 122.264 122.264 123.051 -0.787 19622
624 1 2 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.927 0.017 19622
625 1 2 . 1 1 26 26 ALA C C 26 179.219 179.219 179.470 -0.251 19622
626 1 2 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.344 0.081 19622
627 1 2 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.635 0.060 19622
628 1 2 . 1 1 26 26 ALA H H 26 8.701 8.701 8.406 0.295 19622
629 1 2 . 1 1 27 27 GLU N N 27 119.508 119.508 117.479 2.029 19622
630 1 2 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.331 -0.028 19622
631 1 2 . 1 1 27 27 GLU C C 27 169.931 169.931 178.806 -8.875 19622
632 1 2 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.041 1.502 19622
633 1 2 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.284 0.174 19622
634 1 2 . 1 1 27 27 GLU H H 27 8.567 8.567 8.677 -0.110 19622
635 1 2 . 1 1 28 28 GLU N N 28 122.658 122.658 120.552 2.106 19622
636 1 2 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.040 0.065 19622
637 1 2 . 1 1 28 28 GLU C C 28 177.634 177.634 178.026 -0.392 19622
638 1 2 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.595 0.669 19622
639 1 2 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.195 -0.140 19622
640 1 2 . 1 1 28 28 GLU H H 28 8.164 8.164 7.606 0.558 19622
641 1 2 . 1 1 29 29 ALA N N 29 119.216 119.216 118.562 0.654 19622
642 1 2 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.129 0.347 19622
643 1 2 . 1 1 29 29 ALA C C 29 177.282 177.282 177.731 -0.449 19622
644 1 2 . 1 1 29 29 ALA CA C 29 52.052 52.052 53.109 -1.057 19622
645 1 2 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.436 -0.321 19622
646 1 2 . 1 1 29 29 ALA H H 29 7.433 7.433 7.924 -0.491 19622
647 1 2 . 1 1 30 30 GLY N N 30 106.654 106.654 104.125 2.529 19622
648 1 2 . 1 1 30 30 GLY C C 30 174.629 174.629 174.427 0.202 19622
649 1 2 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.522 0.869 19622
650 1 2 . 1 1 30 30 GLY H H 30 7.932 7.932 7.488 0.444 19622
651 1 2 . 1 1 31 31 LEU N N 31 121.203 121.203 120.638 0.565 19622
652 1 2 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.448 0.008 19622
653 1 2 . 1 1 31 31 LEU C C 31 175.406 175.406 177.164 -1.758 19622
654 1 2 . 1 1 31 31 LEU CA C 31 54.656 54.656 54.389 0.267 19622
655 1 2 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.137 0.492 19622
656 1 2 . 1 1 31 31 LEU H H 31 8.078 8.078 7.570 0.508 19622
657 1 2 . 1 1 32 32 ASP N N 32 121.884 121.884 124.892 -3.008 19622
658 1 2 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.723 0.186 19622
659 1 2 . 1 1 32 32 ASP C C 32 174.882 174.882 174.872 0.010 19622
660 1 2 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.451 -0.332 19622
661 1 2 . 1 1 32 32 ASP CB C 32 41.068 41.068 39.980 1.088 19622
662 1 2 . 1 1 32 32 ASP H H 32 8.418 8.418 8.719 -0.301 19622
663 1 2 . 1 1 33 33 LEU N N 33 124.734 124.734 121.590 3.144 19622
664 1 2 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.672 -0.007 19622
665 1 2 . 1 1 33 33 LEU CA C 33 51.940 51.940 52.373 -0.433 19622
666 1 2 . 1 1 33 33 LEU CB C 33 42.403 42.403 43.433 -1.030 19622
667 1 2 . 1 1 33 33 LEU H H 33 8.088 8.088 7.686 0.402 19622
668 1 2 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.281 0.091 19622
669 1 2 . 1 1 34 34 PRO CA C 34 62.760 62.760 63.056 -0.296 19622
670 1 2 . 1 1 34 34 PRO CB C 34 32.298 32.298 31.841 0.457 19622
671 1 2 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.399 0.330 19622
672 1 2 . 1 1 46 46 ALA C C 46 178.058 178.058 176.761 1.297 19622
673 1 2 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.373 1.831 19622
674 1 2 . 1 1 46 46 ALA CB C 46 18.088 18.088 19.212 -1.124 19622
675 1 2 . 1 1 47 47 GLY N N 47 112.650 112.650 110.401 2.249 19622
676 1 2 . 1 1 47 47 GLY C C 47 178.913 178.913 172.840 6.073 19622
677 1 2 . 1 1 47 47 GLY CA C 47 44.047 44.047 44.354 -0.307 19622
678 1 2 . 1 1 47 47 GLY H H 47 9.815 9.815 8.232 1.583 19622
679 1 2 . 1 1 48 48 LYS N N 48 120.076 120.076 119.450 0.626 19622
680 1 2 . 1 1 48 48 LYS HA H 48 4.936 4.936 5.008 -0.072 19622
681 1 2 . 1 1 48 48 LYS C C 48 175.432 175.432 175.667 -0.235 19622
682 1 2 . 1 1 48 48 LYS CA C 48 54.866 54.866 53.628 1.238 19622
683 1 2 . 1 1 48 48 LYS CB C 48 36.588 36.588 34.724 1.864 19622
684 1 2 . 1 1 48 48 LYS H H 48 9.129 9.129 8.816 0.313 19622
685 1 2 . 1 1 49 49 VAL N N 49 127.642 127.642 126.084 1.558 19622
686 1 2 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.877 0.063 19622
687 1 2 . 1 1 49 49 VAL C C 49 175.133 175.133 175.472 -0.339 19622
688 1 2 . 1 1 49 49 VAL CA C 49 63.365 63.365 63.624 -0.259 19622
689 1 2 . 1 1 49 49 VAL CB C 49 31.981 31.981 31.275 0.706 19622
690 1 2 . 1 1 49 49 VAL H H 49 9.523 9.523 8.393 1.130 19622
691 1 2 . 1 1 50 50 ALA N N 50 102.132 102.132 131.409 -29.277 19622
692 1 2 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.251 0.182 19622
693 1 2 . 1 1 50 50 ALA C C 50 177.108 177.108 177.099 0.009 19622
694 1 2 . 1 1 50 50 ALA CA C 50 52.234 52.234 53.118 -0.884 19622
695 1 2 . 1 1 50 50 ALA CB C 50 19.925 19.925 19.611 0.314 19622
696 1 2 . 1 1 50 50 ALA H H 50 8.792 8.792 8.565 0.227 19622
697 1 2 . 1 1 51 51 ALA N N 51 119.480 119.480 119.171 0.309 19622
698 1 2 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.619 -0.119 19622
699 1 2 . 1 1 51 51 ALA C C 51 176.563 176.563 176.819 -0.256 19622
700 1 2 . 1 1 51 51 ALA CA C 51 52.396 52.396 50.878 1.518 19622
701 1 2 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.729 0.979 19622
702 1 2 . 1 1 51 51 ALA H H 51 7.745 7.745 7.862 -0.117 19622
703 1 2 . 1 1 52 52 GLY N N 52 108.710 108.710 107.614 1.096 19622
704 1 2 . 1 1 52 52 GLY C C 52 172.018 172.018 173.621 -1.603 19622
705 1 2 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.642 -1.613 19622
706 1 2 . 1 1 52 52 GLY H H 52 8.516 8.516 8.479 0.037 19622
707 1 2 . 1 1 53 53 THR N N 53 106.654 106.654 111.303 -4.649 19622
708 1 2 . 1 1 53 53 THR HA H 53 4.707 4.707 4.533 0.174 19622
709 1 2 . 1 1 53 53 THR C C 53 173.198 173.198 172.739 0.459 19622
710 1 2 . 1 1 53 53 THR CA C 53 59.740 59.740 60.220 -0.480 19622
711 1 2 . 1 1 53 53 THR CB C 53 72.296 72.296 71.906 0.390 19622
712 1 2 . 1 1 53 53 THR H H 53 7.932 7.932 7.941 -0.008 19622
713 1 2 . 1 1 54 54 VAL N N 54 110.217 110.217 114.186 -3.969 19622
714 1 2 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.605 0.425 19622
715 1 2 . 1 1 54 54 VAL C C 54 174.681 174.681 174.040 0.641 19622
716 1 2 . 1 1 54 54 VAL CA C 54 58.343 58.343 59.633 -1.290 19622
717 1 2 . 1 1 54 54 VAL CB C 54 36.031 36.031 35.501 0.530 19622
718 1 2 . 1 1 54 54 VAL H H 54 8.211 8.211 8.217 -0.006 19622
719 1 2 . 1 1 55 55 ASP N N 55 121.085 121.085 121.133 -0.048 19622
720 1 2 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.789 0.230 19622
721 1 2 . 1 1 55 55 ASP C C 55 175.900 175.900 174.924 0.976 19622
722 1 2 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.539 -0.360 19622
723 1 2 . 1 1 55 55 ASP CB C 55 43.430 43.430 41.160 2.270 19622
724 1 2 . 1 1 55 55 ASP H H 55 9.535 9.535 8.844 0.691 19622
725 1 2 . 1 1 56 56 GLN N N 56 124.248 124.248 125.252 -1.004 19622
726 1 2 . 1 1 56 56 GLN HA H 56 5.532 5.532 4.799 0.733 19622
727 1 2 . 1 1 56 56 GLN C C 56 176.233 176.233 175.731 0.502 19622
728 1 2 . 1 1 56 56 GLN CA C 56 53.067 53.067 54.147 -1.080 19622
729 1 2 . 1 1 56 56 GLN CB C 56 28.423 28.423 28.358 0.066 19622
730 1 2 . 1 1 56 56 GLN H H 56 9.270 9.270 8.180 1.090 19622
731 1 2 . 1 1 57 57 SER N N 57 118.299 118.299 117.666 0.633 19622
732 1 2 . 1 1 57 57 SER HA H 57 4.234 4.234 4.168 0.066 19622
733 1 2 . 1 1 57 57 SER C C 57 175.154 175.154 174.349 0.805 19622
734 1 2 . 1 1 57 57 SER CA C 57 62.676 62.676 61.085 1.591 19622
735 1 2 . 1 1 57 57 SER CB C 57 63.213 63.213 63.191 0.021 19622
736 1 2 . 1 1 57 57 SER H H 57 8.491 8.491 8.353 0.138 19622
737 1 2 . 1 1 58 58 ASP N N 58 119.055 119.055 119.105 -0.050 19622
738 1 2 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.930 -0.211 19622
739 1 2 . 1 1 58 58 ASP C C 58 176.196 176.196 175.154 1.042 19622
740 1 2 . 1 1 58 58 ASP CA C 58 55.408 55.408 53.962 1.446 19622
741 1 2 . 1 1 58 58 ASP CB C 58 40.293 40.293 41.841 -1.548 19622
742 1 2 . 1 1 58 58 ASP H H 58 8.885 8.885 8.488 0.397 19622
743 1 2 . 1 1 59 59 GLN N N 59 122.287 122.287 120.880 1.407 19622
744 1 2 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.477 -0.262 19622
745 1 2 . 1 1 59 59 GLN C C 59 174.169 174.169 175.832 -1.663 19622
746 1 2 . 1 1 59 59 GLN CA C 59 55.943 55.943 55.710 0.233 19622
747 1 2 . 1 1 59 59 GLN CB C 59 29.290 29.290 29.896 -0.606 19622
748 1 2 . 1 1 59 59 GLN H H 59 8.394 8.394 8.556 -0.162 19622
749 1 2 . 1 1 60 60 SER N N 60 113.844 113.844 113.919 -0.075 19622
750 1 2 . 1 1 60 60 SER HA H 60 4.729 4.729 4.700 0.029 19622
751 1 2 . 1 1 60 60 SER C C 60 173.467 173.467 173.920 -0.453 19622
752 1 2 . 1 1 60 60 SER CA C 60 58.201 58.201 57.610 0.591 19622
753 1 2 . 1 1 60 60 SER CB C 60 65.221 65.221 64.922 0.299 19622
754 1 2 . 1 1 60 60 SER H H 60 8.871 8.871 7.960 0.911 19622
755 1 2 . 1 1 61 61 PHE N N 61 123.610 123.610 119.578 4.032 19622
756 1 2 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.769 -0.372 19622
757 1 2 . 1 1 61 61 PHE C C 61 176.268 176.268 175.640 0.628 19622
758 1 2 . 1 1 61 61 PHE CA C 61 60.986 60.986 57.319 3.667 19622
759 1 2 . 1 1 61 61 PHE CB C 61 43.362 43.362 38.766 4.596 19622
760 1 2 . 1 1 61 61 PHE H H 61 7.691 7.691 8.350 -0.659 19622
761 1 2 . 1 1 62 62 LEU N N 62 121.203 121.203 121.958 -0.755 19622
762 1 2 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.450 -0.104 19622
763 1 2 . 1 1 62 62 LEU C C 62 177.920 177.920 175.689 2.231 19622
764 1 2 . 1 1 62 62 LEU CA C 62 54.152 54.152 54.070 0.082 19622
765 1 2 . 1 1 62 62 LEU CB C 62 42.638 42.638 43.616 -0.978 19622
766 1 2 . 1 1 62 62 LEU H H 62 10.705 10.705 7.413 3.292 19622
767 1 2 . 1 1 63 63 ASP N N 63 121.418 121.418 125.162 -3.744 19622
768 1 2 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.825 -0.145 19622
769 1 2 . 1 1 63 63 ASP C C 63 176.479 176.479 176.317 0.162 19622
770 1 2 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.613 -1.875 19622
771 1 2 . 1 1 63 63 ASP CB C 63 41.706 41.706 43.937 -2.231 19622
772 1 2 . 1 1 63 63 ASP H H 63 8.672 8.672 8.372 0.300 19622
773 1 2 . 1 1 64 64 ASP N N 64 117.220 117.220 120.097 -2.877 19622
774 1 2 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.291 -0.008 19622
775 1 2 . 1 1 64 64 ASP C C 64 179.309 179.309 178.169 1.140 19622
776 1 2 . 1 1 64 64 ASP CA C 64 57.917 57.917 58.500 -0.583 19622
777 1 2 . 1 1 64 64 ASP CB C 64 40.862 40.862 40.543 0.319 19622
778 1 2 . 1 1 64 64 ASP H H 64 8.282 8.282 8.706 -0.424 19622
779 1 2 . 1 1 65 65 ALA N N 65 125.398 125.398 121.847 3.551 19622
780 1 2 . 1 1 65 65 ALA HA H 65 4.137 4.137 4.089 0.048 19622
781 1 2 . 1 1 65 65 ALA C C 65 180.917 180.917 179.757 1.160 19622
782 1 2 . 1 1 65 65 ALA CA C 65 54.858 54.858 55.068 -0.209 19622
783 1 2 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.033 -0.284 19622
784 1 2 . 1 1 65 65 ALA H H 65 8.215 8.215 8.403 -0.188 19622
785 1 2 . 1 1 66 66 GLN N N 66 119.386 119.386 117.293 2.093 19622
786 1 2 . 1 1 66 66 GLN HA H 66 4.315 4.315 4.144 0.171 19622
787 1 2 . 1 1 66 66 GLN C C 66 180.587 180.587 178.401 2.186 19622
788 1 2 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.403 0.648 19622
789 1 2 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.471 0.256 19622
790 1 2 . 1 1 66 66 GLN H H 66 8.821 8.821 7.590 1.231 19622
791 1 2 . 1 1 67 67 MET N N 67 118.975 118.975 120.737 -1.762 19622
792 1 2 . 1 1 67 67 MET HA H 67 4.432 4.432 4.493 -0.061 19622
793 1 2 . 1 1 67 67 MET C C 67 181.267 181.267 178.344 2.923 19622
794 1 2 . 1 1 67 67 MET CA C 67 59.988 59.988 58.380 1.608 19622
795 1 2 . 1 1 67 67 MET CB C 67 33.535 33.535 32.791 0.744 19622
796 1 2 . 1 1 67 67 MET H H 67 8.504 8.504 7.840 0.664 19622
797 1 2 . 1 1 68 68 GLY N N 68 110.904 110.904 106.822 4.082 19622
798 1 2 . 1 1 68 68 GLY C C 68 174.778 174.778 175.696 -0.918 19622
799 1 2 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.594 0.093 19622
800 1 2 . 1 1 68 68 GLY H H 68 8.697 8.697 8.526 0.171 19622
801 1 2 . 1 1 69 69 ASN N N 69 118.203 118.203 118.668 -0.465 19622
802 1 2 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.477 0.415 19622
803 1 2 . 1 1 69 69 ASN C C 69 174.610 174.610 175.184 -0.574 19622
804 1 2 . 1 1 69 69 ASN CA C 69 53.121 53.121 52.939 0.182 19622
805 1 2 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.739 0.656 19622
806 1 2 . 1 1 69 69 ASN H H 69 7.536 7.536 7.841 -0.305 19622
807 1 2 . 1 1 70 70 GLY N N 70 104.994 104.994 105.075 -0.081 19622
808 1 2 . 1 1 70 70 GLY C C 70 174.423 174.423 173.419 1.004 19622
809 1 2 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.623 0.555 19622
810 1 2 . 1 1 70 70 GLY H H 70 7.725 7.725 7.456 0.269 19622
811 1 2 . 1 1 71 71 PHE N N 71 117.987 117.987 118.782 -0.795 19622
812 1 2 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.997 0.044 19622
813 1 2 . 1 1 71 71 PHE C C 71 175.618 175.618 174.139 1.479 19622
814 1 2 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.750 4.740 19622
815 1 2 . 1 1 71 71 PHE CB C 71 39.860 39.860 42.153 -2.293 19622
816 1 2 . 1 1 71 71 PHE H H 71 7.750 7.750 8.015 -0.265 19622
817 1 2 . 1 1 72 72 VAL N N 72 117.069 117.069 119.824 -2.755 19622
818 1 2 . 1 1 72 72 VAL HA H 72 5.073 5.073 5.017 0.056 19622
819 1 2 . 1 1 72 72 VAL CA C 72 57.273 57.273 59.495 -2.222 19622
820 1 2 . 1 1 72 72 VAL CB C 72 34.219 34.219 36.842 -2.623 19622
821 1 2 . 1 1 72 72 VAL H H 72 8.578 8.578 9.081 -0.503 19622
822 1 2 . 1 1 76 76 VAL HA H 76 2.939 2.939 4.253 -1.314 19622
823 1 2 . 1 1 76 76 VAL C C 76 172.825 172.825 173.653 -0.828 19622
824 1 2 . 1 1 76 76 VAL CA C 76 59.273 59.273 60.528 -1.255 19622
825 1 2 . 1 1 76 76 VAL CB C 76 31.330 31.330 31.022 0.308 19622
826 1 2 . 1 1 77 77 ALA N N 77 120.939 120.939 122.761 -1.822 19622
827 1 2 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.436 -0.295 19622
828 1 2 . 1 1 77 77 ALA C C 77 175.744 175.744 175.389 0.355 19622
829 1 2 . 1 1 77 77 ALA CA C 77 49.687 49.687 50.687 -1.000 19622
830 1 2 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.268 0.071 19622
831 1 2 . 1 1 77 77 ALA H H 77 6.318 6.318 7.795 -1.477 19622
832 1 2 . 1 1 78 78 TYR N N 78 122.466 122.466 118.675 3.791 19622
833 1 2 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.092 0.288 19622
834 1 2 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.200 0.196 19622
835 1 2 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.458 0.202 19622
836 1 2 . 1 1 78 78 TYR H H 78 9.113 9.113 7.681 1.432 19622
837 1 2 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.603 0.141 19622
838 1 2 . 1 1 79 79 PRO C C 79 176.434 176.434 176.873 -0.439 19622
839 1 2 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.923 0.422 19622
840 1 2 . 1 1 79 79 PRO CB C 79 31.141 31.141 32.114 -0.973 19622
841 1 2 . 1 1 80 80 THR N N 80 110.712 110.712 111.921 -1.209 19622
842 1 2 . 1 1 80 80 THR HA H 80 4.204 4.204 3.971 0.233 19622
843 1 2 . 1 1 80 80 THR C C 80 171.733 171.733 174.144 -2.411 19622
844 1 2 . 1 1 80 80 THR CA C 80 60.121 60.121 61.540 -1.419 19622
845 1 2 . 1 1 80 80 THR CB C 80 68.267 68.267 69.166 -0.899 19622
846 1 2 . 1 1 80 80 THR H H 80 8.470 8.470 8.210 0.260 19622
847 1 2 . 1 1 81 81 SER N N 81 114.994 114.994 116.558 -1.564 19622
848 1 2 . 1 1 81 81 SER HA H 81 3.869 3.869 4.612 -0.743 19622
849 1 2 . 1 1 81 81 SER C C 81 172.754 172.754 172.003 0.751 19622
850 1 2 . 1 1 81 81 SER CA C 81 57.892 57.892 57.142 0.750 19622
851 1 2 . 1 1 81 81 SER CB C 81 66.405 66.405 65.667 0.738 19622
852 1 2 . 1 1 81 81 SER H H 81 7.604 7.604 7.171 0.433 19622
853 1 2 . 1 1 82 82 ASP N N 82 120.462 120.462 122.492 -2.030 19622
854 1 2 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.843 0.321 19622
855 1 2 . 1 1 82 82 ASP C C 82 178.987 178.987 175.668 3.319 19622
856 1 2 . 1 1 82 82 ASP CA C 82 56.313 56.313 55.325 0.988 19622
857 1 2 . 1 1 82 82 ASP CB C 82 39.386 39.386 40.268 -0.882 19622
858 1 2 . 1 1 82 82 ASP H H 82 8.690 8.690 8.582 0.108 19622
859 1 2 . 1 1 83 83 CYS N N 83 120.974 120.974 120.042 0.932 19622
860 1 2 . 1 1 83 83 CYS HA H 83 5.139 5.139 4.953 0.186 19622
861 1 2 . 1 1 83 83 CYS C C 83 172.614 172.614 173.816 -1.202 19622
862 1 2 . 1 1 83 83 CYS CA C 83 56.370 56.370 55.339 1.031 19622
863 1 2 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.812 -0.262 19622
864 1 2 . 1 1 83 83 CYS H H 83 8.922 8.922 8.132 0.790 19622
865 1 2 . 1 1 84 84 THR N N 84 116.819 116.819 116.362 0.457 19622
866 1 2 . 1 1 84 84 THR HA H 84 5.464 5.464 4.931 0.533 19622
867 1 2 . 1 1 84 84 THR C C 84 173.477 173.477 172.974 0.503 19622
868 1 2 . 1 1 84 84 THR CA C 84 61.171 61.171 62.508 -1.337 19622
869 1 2 . 1 1 84 84 THR CB C 84 70.791 70.791 70.580 0.211 19622
870 1 2 . 1 1 84 84 THR H H 84 8.637 8.637 8.105 0.532 19622
871 1 2 . 1 1 85 85 ILE N N 85 127.705 127.705 126.698 1.007 19622
872 1 2 . 1 1 85 85 ILE HA H 85 4.831 4.831 4.909 -0.078 19622
873 1 2 . 1 1 85 85 ILE C C 85 174.828 174.828 175.665 -0.837 19622
874 1 2 . 1 1 85 85 ILE CA C 85 57.901 57.901 58.303 -0.402 19622
875 1 2 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.585 1.982 19622
876 1 2 . 1 1 85 85 ILE H H 85 9.433 9.433 9.086 0.347 19622
877 1 2 . 1 1 86 86 GLN N N 86 128.424 128.424 128.540 -0.116 19622
878 1 2 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.570 0.511 19622
879 1 2 . 1 1 86 86 GLN C C 86 176.145 176.145 177.257 -1.112 19622
880 1 2 . 1 1 86 86 GLN CA C 86 54.821 54.821 57.514 -2.693 19622
881 1 2 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.562 -0.873 19622
882 1 2 . 1 1 86 86 GLN H H 86 9.533 9.533 9.123 0.410 19622
883 1 2 . 1 1 87 87 THR N N 87 117.634 117.634 119.778 -2.144 19622
884 1 2 . 1 1 87 87 THR HA H 87 4.600 4.600 4.609 -0.009 19622
885 1 2 . 1 1 87 87 THR C C 87 175.822 175.822 176.107 -0.285 19622
886 1 2 . 1 1 87 87 THR CA C 87 62.643 62.643 63.954 -1.311 19622
887 1 2 . 1 1 87 87 THR CB C 87 68.604 68.604 68.994 -0.390 19622
888 1 2 . 1 1 87 87 THR H H 87 8.292 8.292 9.020 -0.728 19622
889 1 2 . 1 1 88 88 HIS N N 88 117.083 117.083 120.059 -2.976 19622
890 1 2 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.607 -0.027 19622
891 1 2 . 1 1 88 88 HIS C C 88 177.884 177.884 175.344 2.540 19622
892 1 2 . 1 1 88 88 HIS CA C 88 58.580 58.580 57.156 1.424 19622
893 1 2 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.597 -2.257 19622
894 1 2 . 1 1 88 88 HIS H H 88 9.658 9.658 8.815 0.843 19622
895 1 2 . 1 1 89 89 GLN N N 89 112.869 112.869 117.655 -4.786 19622
896 1 2 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.363 0.372 19622
897 1 2 . 1 1 89 89 GLN C C 89 175.239 175.239 177.070 -1.831 19622
898 1 2 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.906 -0.957 19622
899 1 2 . 1 1 89 89 GLN CB C 89 29.312 29.312 27.286 2.026 19622
900 1 2 . 1 1 89 89 GLN H H 89 7.591 7.591 7.469 0.122 19622
901 1 2 . 1 1 90 90 GLU N N 90 122.583 122.583 121.440 1.143 19622
902 1 2 . 1 1 90 90 GLU HA H 90 3.588 3.588 3.985 -0.397 19622
903 1 2 . 1 1 90 90 GLU C C 90 177.210 177.210 178.000 -0.790 19622
904 1 2 . 1 1 90 90 GLU CA C 90 61.485 61.485 59.208 2.277 19622
905 1 2 . 1 1 90 90 GLU CB C 90 29.147 29.147 28.187 0.960 19622
906 1 2 . 1 1 90 90 GLU H H 90 8.327 8.327 8.276 0.051 19622
907 1 2 . 1 1 91 91 GLU N N 91 115.209 115.209 120.597 -5.388 19622
908 1 2 . 1 1 91 91 GLU HA H 91 4.041 4.041 3.989 0.052 19622
909 1 2 . 1 1 91 91 GLU C C 91 179.055 179.055 178.058 0.997 19622
910 1 2 . 1 1 91 91 GLU CA C 91 59.647 59.647 58.372 1.275 19622
911 1 2 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.218 -0.392 19622
912 1 2 . 1 1 91 91 GLU H H 91 8.666 8.666 8.303 0.363 19622
913 1 2 . 1 1 92 92 ALA N N 92 121.790 121.790 121.414 0.376 19622
914 1 2 . 1 1 92 92 ALA HA H 92 4.212 4.212 3.834 0.378 19622
915 1 2 . 1 1 92 92 ALA C C 92 179.762 179.762 178.810 0.952 19622
916 1 2 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.447 -0.247 19622
917 1 2 . 1 1 92 92 ALA CB C 92 16.917 16.917 18.139 -1.222 19622
918 1 2 . 1 1 92 92 ALA H H 92 7.628 7.628 7.820 -0.192 19622
919 1 2 . 1 1 93 93 LEU N N 93 119.699 119.699 116.588 3.111 19622
920 1 2 . 1 1 93 93 LEU HA H 93 3.263 3.263 3.891 -0.628 19622
921 1 2 . 1 1 93 93 LEU C C 93 177.803 177.803 177.694 0.109 19622
922 1 2 . 1 1 93 93 LEU CA C 93 57.031 57.031 56.741 0.290 19622
923 1 2 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.684 -0.374 19622
924 1 2 . 1 1 93 93 LEU H H 93 7.694 7.694 7.249 0.445 19622
925 1 2 . 1 1 94 94 TYR N N 94 116.307 116.307 118.454 -2.147 19622
926 1 2 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.504 -0.130 19622
927 1 2 . 1 1 94 94 TYR C C 94 176.548 176.548 176.378 0.170 19622
928 1 2 . 1 1 94 94 TYR CA C 94 58.822 58.822 60.275 -1.453 19622
929 1 2 . 1 1 94 94 TYR CB C 94 38.500 38.500 40.119 -1.619 19622
930 1 2 . 1 1 94 94 TYR H H 94 7.343 7.343 7.739 -0.396 19622
931 1 2 . 1 1 95 95 GLU N N 95 120.194 120.194 115.174 5.020 19622
932 1 2 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.255 -0.094 19622
933 1 2 . 1 1 95 95 GLU C C 95 176.704 176.704 174.971 1.733 19622
934 1 2 . 1 1 95 95 GLU CA C 95 57.795 57.795 56.665 1.130 19622
935 1 2 . 1 1 95 95 GLU CB C 95 30.121 30.121 31.537 -1.416 19622
936 1 2 . 1 1 95 95 GLU H H 95 7.707 7.707 8.308 -0.601 19622
937 1 2 . 1 1 96 96 ASN N N 96 118.074 118.074 119.145 -1.071 19622
938 1 2 . 1 1 96 96 ASN HA H 96 4.580 4.580 5.419 -0.839 19622
939 1 2 . 1 1 96 96 ASN C C 96 176.061 176.061 175.878 0.183 19622
940 1 2 . 1 1 96 96 ASN CA C 96 54.092 54.092 52.188 1.904 19622
941 1 2 . 1 1 96 96 ASN CB C 96 38.864 38.864 38.781 0.083 19622
942 1 2 . 1 1 96 96 ASN H H 96 8.195 8.195 8.023 0.172 19622
943 1 2 . 1 1 97 97 LEU N N 97 120.760 120.760 119.372 1.388 19622
944 1 2 . 1 1 97 97 LEU HA H 97 4.142 4.142 3.967 0.175 19622
945 1 2 . 1 1 97 97 LEU C C 97 177.094 177.094 176.686 0.408 19622
946 1 2 . 1 1 97 97 LEU CA C 97 55.429 55.429 55.719 -0.290 19622
947 1 2 . 1 1 97 97 LEU CB C 97 42.562 42.562 41.852 0.710 19622
948 1 2 . 1 1 97 97 LEU H H 97 7.912 7.912 7.957 -0.045 19622
949 1 2 . 1 1 98 98 TYR N N 98 118.892 118.892 113.509 5.383 19622
950 1 2 . 1 1 98 98 TYR HA H 98 4.520 4.520 4.191 0.329 19622
951 1 2 . 1 1 98 98 TYR C C 98 175.296 175.296 176.121 -0.825 19622
952 1 2 . 1 1 98 98 TYR CA C 98 57.640 57.640 58.599 -0.959 19622
953 1 2 . 1 1 98 98 TYR CB C 98 38.660 38.660 35.438 3.221 19622
954 1 2 . 1 1 98 98 TYR H H 98 7.898 7.898 7.892 0.006 19622
955 1 2 . 1 1 99 99 PHE N N 99 121.225 121.225 121.256 -0.031 19622
956 1 2 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.754 -0.276 19622
957 1 2 . 1 1 99 99 PHE C C 99 174.558 174.558 175.946 -1.388 19622
958 1 2 . 1 1 99 99 PHE CA C 99 58.151 58.151 58.260 -0.109 19622
959 1 2 . 1 1 99 99 PHE CB C 99 39.561 39.561 39.063 0.498 19622
960 1 2 . 1 1 99 99 PHE H H 99 7.931 7.931 7.852 0.079 19622
961 1 3 . 1 1 1 1 TYR N N 1 121.776 121.776 119.155 2.621 19622
962 1 3 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.619 0.281 19622
963 1 3 . 1 1 1 1 TYR C C 1 174.477 174.477 175.216 -0.739 19622
964 1 3 . 1 1 1 1 TYR CA C 1 57.340 57.340 57.057 0.283 19622
965 1 3 . 1 1 1 1 TYR CB C 1 40.147 40.147 39.624 0.523 19622
966 1 3 . 1 1 1 1 TYR H H 1 8.204 8.204 8.402 -0.198 19622
967 1 3 . 1 1 2 2 LYS N N 2 122.911 122.911 125.638 -2.727 19622
968 1 3 . 1 1 2 2 LYS HA H 2 4.719 4.719 4.816 -0.097 19622
969 1 3 . 1 1 2 2 LYS C C 2 176.369 176.369 175.525 0.844 19622
970 1 3 . 1 1 2 2 LYS CA C 2 55.408 55.408 56.046 -0.638 19622
971 1 3 . 1 1 2 2 LYS CB C 2 32.636 32.636 32.881 -0.245 19622
972 1 3 . 1 1 2 2 LYS H H 2 9.291 9.291 8.775 0.516 19622
973 1 3 . 1 1 3 3 VAL N N 3 128.453 128.453 127.752 0.701 19622
974 1 3 . 1 1 3 3 VAL HA H 3 4.974 4.974 5.216 -0.242 19622
975 1 3 . 1 1 3 3 VAL C C 3 175.283 175.283 174.587 0.696 19622
976 1 3 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.415 0.986 19622
977 1 3 . 1 1 3 3 VAL CB C 3 33.332 33.332 35.028 -1.696 19622
978 1 3 . 1 1 3 3 VAL H H 3 9.268 9.268 8.623 0.645 19622
979 1 3 . 1 1 4 4 THR N N 4 126.298 126.298 126.332 -0.034 19622
980 1 3 . 1 1 4 4 THR HA H 4 4.316 4.316 4.687 -0.371 19622
981 1 3 . 1 1 4 4 THR C C 4 172.907 172.907 173.928 -1.021 19622
982 1 3 . 1 1 4 4 THR CA C 4 63.342 63.342 62.956 0.386 19622
983 1 3 . 1 1 4 4 THR CB C 4 69.170 69.170 68.424 0.746 19622
984 1 3 . 1 1 4 4 THR H H 4 9.623 9.623 9.072 0.551 19622
985 1 3 . 1 1 5 5 LEU N N 5 130.058 130.058 130.774 -0.716 19622
986 1 3 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.796 0.377 19622
987 1 3 . 1 1 5 5 LEU C C 5 174.969 174.969 176.067 -1.098 19622
988 1 3 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.483 -1.762 19622
989 1 3 . 1 1 5 5 LEU CB C 5 41.530 41.530 43.079 -1.549 19622
990 1 3 . 1 1 5 5 LEU H H 5 9.554 9.554 9.326 0.228 19622
991 1 3 . 1 1 6 6 LYS N N 6 124.882 124.882 125.456 -0.574 19622
992 1 3 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.973 -0.089 19622
993 1 3 . 1 1 6 6 LYS C C 6 175.730 175.730 176.430 -0.700 19622
994 1 3 . 1 1 6 6 LYS CA C 6 55.335 55.335 54.226 1.109 19622
995 1 3 . 1 1 6 6 LYS CB C 6 31.006 31.006 31.760 -0.754 19622
996 1 3 . 1 1 6 6 LYS H H 6 9.072 9.072 9.102 -0.030 19622
997 1 3 . 1 1 7 7 THR N N 7 117.987 117.987 116.437 1.550 19622
998 1 3 . 1 1 7 7 THR HA H 7 5.708 5.708 5.251 0.457 19622
999 1 3 . 1 1 7 7 THR CA C 7 59.875 59.875 58.453 1.422 19622
1000 1 3 . 1 1 7 7 THR CB C 7 69.582 69.582 70.026 -0.444 19622
1001 1 3 . 1 1 7 7 THR H H 7 7.750 7.750 8.757 -1.007 19622
1002 1 3 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.309 0.025 19622
1003 1 3 . 1 1 8 8 PRO C C 8 177.136 177.136 176.565 0.571 19622
1004 1 3 . 1 1 8 8 PRO CA C 8 64.777 64.777 64.061 0.716 19622
1005 1 3 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.772 -0.038 19622
1006 1 3 . 1 1 9 9 SER N N 9 109.200 109.200 111.484 -2.284 19622
1007 1 3 . 1 1 9 9 SER HA H 9 4.629 4.629 4.511 0.118 19622
1008 1 3 . 1 1 9 9 SER C C 9 173.571 173.571 174.649 -1.078 19622
1009 1 3 . 1 1 9 9 SER CA C 9 57.371 57.371 58.718 -1.347 19622
1010 1 3 . 1 1 9 9 SER CB C 9 63.513 63.513 64.250 -0.737 19622
1011 1 3 . 1 1 9 9 SER H H 9 7.739 7.739 8.375 -0.636 19622
1012 1 3 . 1 1 10 10 GLY N N 10 110.027 110.027 108.807 1.220 19622
1013 1 3 . 1 1 10 10 GLY C C 10 174.096 174.096 171.389 2.707 19622
1014 1 3 . 1 1 10 10 GLY CA C 10 43.987 43.987 45.270 -1.283 19622
1015 1 3 . 1 1 10 10 GLY H H 10 7.526 7.526 7.723 -0.197 19622
1016 1 3 . 1 1 11 11 ASP N N 11 123.154 123.154 118.854 4.300 19622
1017 1 3 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.804 -0.134 19622
1018 1 3 . 1 1 11 11 ASP C C 11 176.750 176.750 174.903 1.847 19622
1019 1 3 . 1 1 11 11 ASP CA C 11 53.710 53.710 52.334 1.375 19622
1020 1 3 . 1 1 11 11 ASP CB C 11 41.085 41.085 44.713 -3.628 19622
1021 1 3 . 1 1 11 11 ASP H H 11 8.808 8.808 8.238 0.570 19622
1022 1 3 . 1 1 12 12 LYS N N 12 123.685 123.685 121.811 1.874 19622
1023 1 3 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.683 -0.005 19622
1024 1 3 . 1 1 12 12 LYS C C 12 174.777 174.777 174.606 0.171 19622
1025 1 3 . 1 1 12 12 LYS CA C 12 55.024 55.024 54.892 0.132 19622
1026 1 3 . 1 1 12 12 LYS CB C 12 36.206 36.206 36.212 -0.006 19622
1027 1 3 . 1 1 12 12 LYS H H 12 9.108 9.108 8.541 0.567 19622
1028 1 3 . 1 1 13 13 THR N N 13 122.136 122.136 121.990 0.146 19622
1029 1 3 . 1 1 13 13 THR HA H 13 5.314 5.314 5.109 0.205 19622
1030 1 3 . 1 1 13 13 THR C C 13 174.082 174.082 174.402 -0.320 19622
1031 1 3 . 1 1 13 13 THR CA C 13 62.397 62.397 62.569 -0.172 19622
1032 1 3 . 1 1 13 13 THR CB C 13 69.809 69.809 69.078 0.731 19622
1033 1 3 . 1 1 13 13 THR H H 13 8.935 8.935 8.346 0.589 19622
1034 1 3 . 1 1 14 14 ILE N N 14 122.466 122.466 121.809 0.657 19622
1035 1 3 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.674 0.154 19622
1036 1 3 . 1 1 14 14 ILE C C 14 174.083 174.083 174.193 -0.110 19622
1037 1 3 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.681 -0.225 19622
1038 1 3 . 1 1 14 14 ILE CB C 14 41.510 41.510 41.708 -0.198 19622
1039 1 3 . 1 1 14 14 ILE H H 14 9.113 9.113 8.857 0.256 19622
1040 1 3 . 1 1 15 15 GLU N N 15 121.208 121.208 121.989 -0.781 19622
1041 1 3 . 1 1 15 15 GLU HA H 15 4.928 4.928 5.004 -0.076 19622
1042 1 3 . 1 1 15 15 GLU C C 15 175.553 175.553 175.479 0.074 19622
1043 1 3 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.286 -0.107 19622
1044 1 3 . 1 1 15 15 GLU CB C 15 31.093 31.093 30.192 0.901 19622
1045 1 3 . 1 1 15 15 GLU H H 15 8.510 8.510 8.494 0.016 19622
1046 1 3 . 1 1 16 16 CYS N N 16 125.232 125.232 124.480 0.752 19622
1047 1 3 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.909 0.177 19622
1048 1 3 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.306 0.355 19622
1049 1 3 . 1 1 16 16 CYS CB C 16 31.298 31.298 29.245 2.053 19622
1050 1 3 . 1 1 16 16 CYS H H 16 9.306 9.306 8.413 0.893 19622
1051 1 3 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.305 0.230 19622
1052 1 3 . 1 1 17 17 PRO C C 17 175.733 175.733 176.894 -1.161 19622
1053 1 3 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.412 -0.522 19622
1054 1 3 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.207 0.935 19622
1055 1 3 . 1 1 18 18 ALA N N 18 120.277 120.277 123.518 -3.241 19622
1056 1 3 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.208 0.044 19622
1057 1 3 . 1 1 18 18 ALA C C 18 177.177 177.177 176.147 1.030 19622
1058 1 3 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.432 0.521 19622
1059 1 3 . 1 1 18 18 ALA CB C 18 19.449 19.449 18.963 0.486 19622
1060 1 3 . 1 1 18 18 ALA H H 18 8.622 8.622 8.766 -0.144 19622
1061 1 3 . 1 1 19 19 ASP N N 19 112.081 112.081 110.370 1.711 19622
1062 1 3 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.113 0.010 19622
1063 1 3 . 1 1 19 19 ASP C C 19 175.263 175.263 174.843 0.420 19622
1064 1 3 . 1 1 19 19 ASP CA C 19 52.705 52.705 52.842 -0.137 19622
1065 1 3 . 1 1 19 19 ASP CB C 19 39.747 39.747 42.016 -2.269 19622
1066 1 3 . 1 1 19 19 ASP H H 19 7.950 7.950 7.672 0.278 19622
1067 1 3 . 1 1 20 20 THR N N 20 117.760 117.760 117.756 0.004 19622
1068 1 3 . 1 1 20 20 THR HA H 20 4.555 4.555 4.363 0.192 19622
1069 1 3 . 1 1 20 20 THR C C 20 171.521 171.521 173.417 -1.896 19622
1070 1 3 . 1 1 20 20 THR CA C 20 61.849 61.849 61.558 0.291 19622
1071 1 3 . 1 1 20 20 THR CB C 20 72.498 72.498 70.867 1.631 19622
1072 1 3 . 1 1 20 20 THR H H 20 7.550 7.550 7.233 0.317 19622
1073 1 3 . 1 1 21 21 TYR N N 21 124.181 124.181 123.494 0.687 19622
1074 1 3 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.693 -0.003 19622
1075 1 3 . 1 1 21 21 TYR C C 21 171.626 171.626 176.880 -5.254 19622
1076 1 3 . 1 1 21 21 TYR CA C 21 55.120 55.120 56.831 -1.711 19622
1077 1 3 . 1 1 21 21 TYR CB C 21 38.570 38.570 37.788 0.782 19622
1078 1 3 . 1 1 21 21 TYR H H 21 8.594 8.594 8.037 0.557 19622
1079 1 3 . 1 1 22 22 ILE N N 22 120.076 120.076 123.085 -3.009 19622
1080 1 3 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.713 0.002 19622
1081 1 3 . 1 1 22 22 ILE C C 22 177.421 177.421 178.217 -0.796 19622
1082 1 3 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.455 -0.014 19622
1083 1 3 . 1 1 22 22 ILE CB C 22 38.297 38.297 37.746 0.551 19622
1084 1 3 . 1 1 22 22 ILE H H 22 9.140 9.140 8.974 0.166 19622
1085 1 3 . 1 1 23 23 LEU N N 23 115.378 115.378 116.901 -1.523 19622
1086 1 3 . 1 1 23 23 LEU HA H 23 3.869 3.869 3.965 -0.096 19622
1087 1 3 . 1 1 23 23 LEU C C 23 176.741 176.741 178.171 -1.430 19622
1088 1 3 . 1 1 23 23 LEU CA C 23 57.892 57.892 57.737 0.155 19622
1089 1 3 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.068 2.562 19622
1090 1 3 . 1 1 23 23 LEU H H 23 7.382 7.382 7.578 -0.196 19622
1091 1 3 . 1 1 24 24 ASP N N 24 116.687 116.687 120.358 -3.671 19622
1092 1 3 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.300 0.014 19622
1093 1 3 . 1 1 24 24 ASP C C 24 178.902 178.902 177.780 1.122 19622
1094 1 3 . 1 1 24 24 ASP CA C 24 57.792 57.792 57.912 -0.120 19622
1095 1 3 . 1 1 24 24 ASP CB C 24 39.971 39.971 41.086 -1.115 19622
1096 1 3 . 1 1 24 24 ASP H H 24 6.747 6.747 8.214 -1.467 19622
1097 1 3 . 1 1 25 25 ALA N N 25 122.742 122.742 122.256 0.486 19622
1098 1 3 . 1 1 25 25 ALA HA H 25 4.231 4.231 4.087 0.144 19622
1099 1 3 . 1 1 25 25 ALA C C 25 180.559 180.559 179.427 1.132 19622
1100 1 3 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.511 0.379 19622
1101 1 3 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.399 0.793 19622
1102 1 3 . 1 1 25 25 ALA H H 25 8.045 8.045 7.550 0.495 19622
1103 1 3 . 1 1 26 26 ALA N N 26 122.264 122.264 122.798 -0.534 19622
1104 1 3 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.946 -0.002 19622
1105 1 3 . 1 1 26 26 ALA C C 26 179.219 179.219 179.442 -0.223 19622
1106 1 3 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.416 0.009 19622
1107 1 3 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.581 0.114 19622
1108 1 3 . 1 1 26 26 ALA H H 26 8.701 8.701 8.454 0.247 19622
1109 1 3 . 1 1 27 27 GLU N N 27 119.508 119.508 117.271 2.237 19622
1110 1 3 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.117 0.186 19622
1111 1 3 . 1 1 27 27 GLU C C 27 169.931 169.931 178.782 -8.851 19622
1112 1 3 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.339 1.204 19622
1113 1 3 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.375 0.083 19622
1114 1 3 . 1 1 27 27 GLU H H 27 8.567 8.567 8.271 0.296 19622
1115 1 3 . 1 1 28 28 GLU N N 28 122.658 122.658 120.568 2.090 19622
1116 1 3 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.092 0.013 19622
1117 1 3 . 1 1 28 28 GLU C C 28 177.634 177.634 178.393 -0.759 19622
1118 1 3 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.582 0.682 19622
1119 1 3 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.290 -0.235 19622
1120 1 3 . 1 1 28 28 GLU H H 28 8.164 8.164 7.709 0.455 19622
1121 1 3 . 1 1 29 29 ALA N N 29 119.216 119.216 119.077 0.139 19622
1122 1 3 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.169 0.307 19622
1123 1 3 . 1 1 29 29 ALA C C 29 177.282 177.282 177.256 0.026 19622
1124 1 3 . 1 1 29 29 ALA CA C 29 52.052 52.052 53.192 -1.140 19622
1125 1 3 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.541 -0.426 19622
1126 1 3 . 1 1 29 29 ALA H H 29 7.433 7.433 7.985 -0.552 19622
1127 1 3 . 1 1 30 30 GLY N N 30 106.654 106.654 103.834 2.820 19622
1128 1 3 . 1 1 30 30 GLY C C 30 174.629 174.629 174.603 0.026 19622
1129 1 3 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.538 0.853 19622
1130 1 3 . 1 1 30 30 GLY H H 30 7.932 7.932 7.366 0.566 19622
1131 1 3 . 1 1 31 31 LEU N N 31 121.203 121.203 120.542 0.661 19622
1132 1 3 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.538 -0.082 19622
1133 1 3 . 1 1 31 31 LEU C C 31 175.406 175.406 177.181 -1.775 19622
1134 1 3 . 1 1 31 31 LEU CA C 31 54.656 54.656 53.992 0.664 19622
1135 1 3 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.455 0.174 19622
1136 1 3 . 1 1 31 31 LEU H H 31 8.078 8.078 7.468 0.610 19622
1137 1 3 . 1 1 32 32 ASP N N 32 121.884 121.884 119.430 2.454 19622
1138 1 3 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.605 0.304 19622
1139 1 3 . 1 1 32 32 ASP C C 32 174.882 174.882 175.609 -0.727 19622
1140 1 3 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.627 -0.507 19622
1141 1 3 . 1 1 32 32 ASP CB C 32 41.068 41.068 40.483 0.585 19622
1142 1 3 . 1 1 32 32 ASP H H 32 8.418 8.418 8.617 -0.199 19622
1143 1 3 . 1 1 33 33 LEU N N 33 124.734 124.734 121.782 2.952 19622
1144 1 3 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.426 0.239 19622
1145 1 3 . 1 1 33 33 LEU CA C 33 51.940 51.940 52.440 -0.500 19622
1146 1 3 . 1 1 33 33 LEU CB C 33 42.403 42.403 43.395 -0.992 19622
1147 1 3 . 1 1 33 33 LEU H H 33 8.088 8.088 7.692 0.396 19622
1148 1 3 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.529 -0.157 19622
1149 1 3 . 1 1 34 34 PRO CA C 34 62.760 62.760 62.775 -0.015 19622
1150 1 3 . 1 1 34 34 PRO CB C 34 32.298 32.298 32.235 0.063 19622
1151 1 3 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.411 0.318 19622
1152 1 3 . 1 1 46 46 ALA C C 46 178.058 178.058 177.366 0.692 19622
1153 1 3 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.321 1.883 19622
1154 1 3 . 1 1 46 46 ALA CB C 46 18.088 18.088 19.313 -1.225 19622
1155 1 3 . 1 1 47 47 GLY N N 47 112.650 112.650 111.266 1.384 19622
1156 1 3 . 1 1 47 47 GLY C C 47 178.913 178.913 172.843 6.070 19622
1157 1 3 . 1 1 47 47 GLY CA C 47 44.047 44.047 44.645 -0.598 19622
1158 1 3 . 1 1 47 47 GLY H H 47 9.815 9.815 8.416 1.399 19622
1159 1 3 . 1 1 48 48 LYS N N 48 120.076 120.076 119.718 0.358 19622
1160 1 3 . 1 1 48 48 LYS HA H 48 4.936 4.936 5.049 -0.113 19622
1161 1 3 . 1 1 48 48 LYS C C 48 175.432 175.432 175.836 -0.404 19622
1162 1 3 . 1 1 48 48 LYS CA C 48 54.866 54.866 53.522 1.344 19622
1163 1 3 . 1 1 48 48 LYS CB C 48 36.588 36.588 34.863 1.725 19622
1164 1 3 . 1 1 48 48 LYS H H 48 9.129 9.129 9.026 0.103 19622
1165 1 3 . 1 1 49 49 VAL N N 49 127.642 127.642 126.984 0.658 19622
1166 1 3 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.915 0.025 19622
1167 1 3 . 1 1 49 49 VAL C C 49 175.133 175.133 175.445 -0.312 19622
1168 1 3 . 1 1 49 49 VAL CA C 49 63.365 63.365 63.457 -0.092 19622
1169 1 3 . 1 1 49 49 VAL CB C 49 31.981 31.981 31.767 0.214 19622
1170 1 3 . 1 1 49 49 VAL H H 49 9.523 9.523 8.431 1.092 19622
1171 1 3 . 1 1 50 50 ALA N N 50 102.132 102.132 131.213 -29.081 19622
1172 1 3 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.237 0.196 19622
1173 1 3 . 1 1 50 50 ALA C C 50 177.108 177.108 177.051 0.057 19622
1174 1 3 . 1 1 50 50 ALA CA C 50 52.234 52.234 53.641 -1.407 19622
1175 1 3 . 1 1 50 50 ALA CB C 50 19.925 19.925 19.538 0.387 19622
1176 1 3 . 1 1 50 50 ALA H H 50 8.792 8.792 8.544 0.248 19622
1177 1 3 . 1 1 51 51 ALA N N 51 119.480 119.480 118.105 1.375 19622
1178 1 3 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.632 -0.132 19622
1179 1 3 . 1 1 51 51 ALA C C 51 176.563 176.563 176.824 -0.261 19622
1180 1 3 . 1 1 51 51 ALA CA C 51 52.396 52.396 50.724 1.672 19622
1181 1 3 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.522 1.186 19622
1182 1 3 . 1 1 51 51 ALA H H 51 7.745 7.745 7.950 -0.205 19622
1183 1 3 . 1 1 52 52 GLY N N 52 108.710 108.710 107.529 1.181 19622
1184 1 3 . 1 1 52 52 GLY C C 52 172.018 172.018 173.803 -1.785 19622
1185 1 3 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.288 -1.259 19622
1186 1 3 . 1 1 52 52 GLY H H 52 8.516 8.516 8.525 -0.009 19622
1187 1 3 . 1 1 53 53 THR N N 53 106.654 106.654 111.234 -4.580 19622
1188 1 3 . 1 1 53 53 THR HA H 53 4.707 4.707 4.577 0.130 19622
1189 1 3 . 1 1 53 53 THR C C 53 173.198 173.198 172.631 0.567 19622
1190 1 3 . 1 1 53 53 THR CA C 53 59.740 59.740 59.710 0.030 19622
1191 1 3 . 1 1 53 53 THR CB C 53 72.296 72.296 71.948 0.348 19622
1192 1 3 . 1 1 53 53 THR H H 53 7.932 7.932 7.945 -0.013 19622
1193 1 3 . 1 1 54 54 VAL N N 54 110.217 110.217 114.915 -4.698 19622
1194 1 3 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.644 0.386 19622
1195 1 3 . 1 1 54 54 VAL C C 54 174.681 174.681 173.755 0.926 19622
1196 1 3 . 1 1 54 54 VAL CA C 54 58.343 58.343 59.615 -1.272 19622
1197 1 3 . 1 1 54 54 VAL CB C 54 36.031 36.031 35.513 0.518 19622
1198 1 3 . 1 1 54 54 VAL H H 54 8.211 8.211 8.235 -0.024 19622
1199 1 3 . 1 1 55 55 ASP N N 55 121.085 121.085 120.703 0.382 19622
1200 1 3 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.785 0.234 19622
1201 1 3 . 1 1 55 55 ASP C C 55 175.900 175.900 175.202 0.698 19622
1202 1 3 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.156 0.024 19622
1203 1 3 . 1 1 55 55 ASP CB C 55 43.430 43.430 41.245 2.185 19622
1204 1 3 . 1 1 55 55 ASP H H 55 9.535 9.535 8.751 0.784 19622
1205 1 3 . 1 1 56 56 GLN N N 56 124.248 124.248 123.959 0.289 19622
1206 1 3 . 1 1 56 56 GLN HA H 56 5.532 5.532 4.860 0.672 19622
1207 1 3 . 1 1 56 56 GLN C C 56 176.233 176.233 175.660 0.573 19622
1208 1 3 . 1 1 56 56 GLN CA C 56 53.067 53.067 54.049 -0.982 19622
1209 1 3 . 1 1 56 56 GLN CB C 56 28.423 28.423 27.398 1.025 19622
1210 1 3 . 1 1 56 56 GLN H H 56 9.270 9.270 8.369 0.901 19622
1211 1 3 . 1 1 57 57 SER N N 57 118.299 118.299 117.133 1.166 19622
1212 1 3 . 1 1 57 57 SER HA H 57 4.234 4.234 4.100 0.134 19622
1213 1 3 . 1 1 57 57 SER C C 57 175.154 175.154 175.164 -0.010 19622
1214 1 3 . 1 1 57 57 SER CA C 57 62.676 62.676 61.931 0.745 19622
1215 1 3 . 1 1 57 57 SER CB C 57 63.213 63.213 63.384 -0.171 19622
1216 1 3 . 1 1 57 57 SER H H 57 8.491 8.491 7.946 0.545 19622
1217 1 3 . 1 1 58 58 ASP N N 58 119.055 119.055 120.497 -1.442 19622
1218 1 3 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.770 -0.051 19622
1219 1 3 . 1 1 58 58 ASP C C 58 176.196 176.196 174.417 1.779 19622
1220 1 3 . 1 1 58 58 ASP CA C 58 55.408 55.408 53.536 1.872 19622
1221 1 3 . 1 1 58 58 ASP CB C 58 40.293 40.293 40.989 -0.696 19622
1222 1 3 . 1 1 58 58 ASP H H 58 8.885 8.885 8.017 0.868 19622
1223 1 3 . 1 1 59 59 GLN N N 59 122.287 122.287 124.691 -2.404 19622
1224 1 3 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.439 -0.224 19622
1225 1 3 . 1 1 59 59 GLN C C 59 174.169 174.169 175.685 -1.516 19622
1226 1 3 . 1 1 59 59 GLN CA C 59 55.943 55.943 54.853 1.090 19622
1227 1 3 . 1 1 59 59 GLN CB C 59 29.290 29.290 31.284 -1.994 19622
1228 1 3 . 1 1 59 59 GLN H H 59 8.394 8.394 7.868 0.526 19622
1229 1 3 . 1 1 60 60 SER N N 60 113.844 113.844 117.832 -3.988 19622
1230 1 3 . 1 1 60 60 SER HA H 60 4.729 4.729 4.517 0.212 19622
1231 1 3 . 1 1 60 60 SER C C 60 173.467 173.467 175.530 -2.063 19622
1232 1 3 . 1 1 60 60 SER CA C 60 58.201 58.201 57.911 0.290 19622
1233 1 3 . 1 1 60 60 SER CB C 60 65.221 65.221 63.950 1.271 19622
1234 1 3 . 1 1 60 60 SER H H 60 8.871 8.871 8.255 0.616 19622
1235 1 3 . 1 1 61 61 PHE N N 61 123.610 123.610 117.472 6.138 19622
1236 1 3 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.586 -0.189 19622
1237 1 3 . 1 1 61 61 PHE C C 61 176.268 176.268 175.357 0.911 19622
1238 1 3 . 1 1 61 61 PHE CA C 61 60.986 60.986 57.235 3.751 19622
1239 1 3 . 1 1 61 61 PHE CB C 61 43.362 43.362 38.682 4.680 19622
1240 1 3 . 1 1 61 61 PHE H H 61 7.691 7.691 8.304 -0.613 19622
1241 1 3 . 1 1 62 62 LEU N N 62 121.203 121.203 121.815 -0.612 19622
1242 1 3 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.238 0.108 19622
1243 1 3 . 1 1 62 62 LEU C C 62 177.920 177.920 176.357 1.563 19622
1244 1 3 . 1 1 62 62 LEU CA C 62 54.152 54.152 54.682 -0.530 19622
1245 1 3 . 1 1 62 62 LEU CB C 62 42.638 42.638 42.945 -0.307 19622
1246 1 3 . 1 1 62 62 LEU H H 62 10.705 10.705 7.114 3.591 19622
1247 1 3 . 1 1 63 63 ASP N N 63 121.418 121.418 125.695 -4.277 19622
1248 1 3 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.730 -0.050 19622
1249 1 3 . 1 1 63 63 ASP C C 63 176.479 176.479 176.257 0.222 19622
1250 1 3 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.356 -1.619 19622
1251 1 3 . 1 1 63 63 ASP CB C 63 41.706 41.706 43.240 -1.534 19622
1252 1 3 . 1 1 63 63 ASP H H 63 8.672 8.672 8.199 0.473 19622
1253 1 3 . 1 1 64 64 ASP N N 64 117.220 117.220 119.868 -2.648 19622
1254 1 3 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.321 -0.038 19622
1255 1 3 . 1 1 64 64 ASP C C 64 179.309 179.309 178.112 1.197 19622
1256 1 3 . 1 1 64 64 ASP CA C 64 57.917 57.917 57.644 0.273 19622
1257 1 3 . 1 1 64 64 ASP CB C 64 40.862 40.862 40.970 -0.108 19622
1258 1 3 . 1 1 64 64 ASP H H 64 8.282 8.282 8.695 -0.413 19622
1259 1 3 . 1 1 65 65 ALA N N 65 125.398 125.398 121.032 4.366 19622
1260 1 3 . 1 1 65 65 ALA HA H 65 4.137 4.137 4.118 0.019 19622
1261 1 3 . 1 1 65 65 ALA C C 65 180.917 180.917 179.859 1.058 19622
1262 1 3 . 1 1 65 65 ALA CA C 65 54.858 54.858 54.721 0.137 19622
1263 1 3 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.041 -0.292 19622
1264 1 3 . 1 1 65 65 ALA H H 65 8.215 8.215 8.360 -0.145 19622
1265 1 3 . 1 1 66 66 GLN N N 66 119.386 119.386 116.687 2.699 19622
1266 1 3 . 1 1 66 66 GLN HA H 66 4.315 4.315 4.150 0.165 19622
1267 1 3 . 1 1 66 66 GLN C C 66 180.587 180.587 178.164 2.423 19622
1268 1 3 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.448 0.603 19622
1269 1 3 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.450 0.277 19622
1270 1 3 . 1 1 66 66 GLN H H 66 8.821 8.821 7.648 1.173 19622
1271 1 3 . 1 1 67 67 MET N N 67 118.975 118.975 120.450 -1.475 19622
1272 1 3 . 1 1 67 67 MET HA H 67 4.432 4.432 4.500 -0.068 19622
1273 1 3 . 1 1 67 67 MET C C 67 181.267 181.267 178.114 3.153 19622
1274 1 3 . 1 1 67 67 MET CA C 67 59.988 59.988 58.376 1.612 19622
1275 1 3 . 1 1 67 67 MET CB C 67 33.535 33.535 32.683 0.852 19622
1276 1 3 . 1 1 67 67 MET H H 67 8.504 8.504 7.930 0.574 19622
1277 1 3 . 1 1 68 68 GLY N N 68 110.904 110.904 106.035 4.869 19622
1278 1 3 . 1 1 68 68 GLY C C 68 174.778 174.778 175.543 -0.765 19622
1279 1 3 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.451 0.236 19622
1280 1 3 . 1 1 68 68 GLY H H 68 8.697 8.697 7.930 0.767 19622
1281 1 3 . 1 1 69 69 ASN N N 69 118.203 118.203 118.411 -0.208 19622
1282 1 3 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.539 0.353 19622
1283 1 3 . 1 1 69 69 ASN C C 69 174.610 174.610 175.109 -0.499 19622
1284 1 3 . 1 1 69 69 ASN CA C 69 53.121 53.121 52.614 0.507 19622
1285 1 3 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.892 0.503 19622
1286 1 3 . 1 1 69 69 ASN H H 69 7.536 7.536 7.486 0.050 19622
1287 1 3 . 1 1 70 70 GLY N N 70 104.994 104.994 105.462 -0.468 19622
1288 1 3 . 1 1 70 70 GLY C C 70 174.423 174.423 173.425 0.998 19622
1289 1 3 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.674 0.504 19622
1290 1 3 . 1 1 70 70 GLY H H 70 7.725 7.725 7.457 0.268 19622
1291 1 3 . 1 1 71 71 PHE N N 71 117.987 117.987 119.442 -1.455 19622
1292 1 3 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.971 0.070 19622
1293 1 3 . 1 1 71 71 PHE C C 71 175.618 175.618 174.596 1.022 19622
1294 1 3 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.751 4.739 19622
1295 1 3 . 1 1 71 71 PHE CB C 71 39.860 39.860 41.476 -1.616 19622
1296 1 3 . 1 1 71 71 PHE H H 71 7.750 7.750 7.966 -0.216 19622
1297 1 3 . 1 1 72 72 VAL N N 72 117.069 117.069 115.528 1.541 19622
1298 1 3 . 1 1 72 72 VAL HA H 72 5.073 5.073 4.821 0.252 19622
1299 1 3 . 1 1 72 72 VAL CA C 72 57.273 57.273 59.915 -2.642 19622
1300 1 3 . 1 1 72 72 VAL CB C 72 34.219 34.219 35.827 -1.608 19622
1301 1 3 . 1 1 72 72 VAL H H 72 8.578 8.578 9.188 -0.610 19622
1302 1 3 . 1 1 76 76 VAL HA H 76 2.939 2.939 4.235 -1.296 19622
1303 1 3 . 1 1 76 76 VAL C C 76 172.825 172.825 174.141 -1.316 19622
1304 1 3 . 1 1 76 76 VAL CA C 76 59.273 59.273 60.962 -1.689 19622
1305 1 3 . 1 1 76 76 VAL CB C 76 31.330 31.330 30.193 1.137 19622
1306 1 3 . 1 1 77 77 ALA N N 77 120.939 120.939 123.552 -2.613 19622
1307 1 3 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.235 -0.094 19622
1308 1 3 . 1 1 77 77 ALA C C 77 175.744 175.744 175.238 0.506 19622
1309 1 3 . 1 1 77 77 ALA CA C 77 49.687 49.687 51.123 -1.437 19622
1310 1 3 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.675 -0.336 19622
1311 1 3 . 1 1 77 77 ALA H H 77 6.318 6.318 7.564 -1.246 19622
1312 1 3 . 1 1 78 78 TYR N N 78 122.466 122.466 117.714 4.752 19622
1313 1 3 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.109 0.271 19622
1314 1 3 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.043 0.353 19622
1315 1 3 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.608 0.052 19622
1316 1 3 . 1 1 78 78 TYR H H 78 9.113 9.113 7.644 1.469 19622
1317 1 3 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.716 0.028 19622
1318 1 3 . 1 1 79 79 PRO C C 79 176.434 176.434 176.749 -0.315 19622
1319 1 3 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.708 0.637 19622
1320 1 3 . 1 1 79 79 PRO CB C 79 31.141 31.141 31.859 -0.718 19622
1321 1 3 . 1 1 80 80 THR N N 80 110.712 110.712 113.652 -2.940 19622
1322 1 3 . 1 1 80 80 THR HA H 80 4.204 4.204 3.943 0.261 19622
1323 1 3 . 1 1 80 80 THR C C 80 171.733 171.733 173.875 -2.142 19622
1324 1 3 . 1 1 80 80 THR CA C 80 60.121 60.121 61.867 -1.746 19622
1325 1 3 . 1 1 80 80 THR CB C 80 68.267 68.267 68.963 -0.696 19622
1326 1 3 . 1 1 80 80 THR H H 80 8.470 8.470 7.822 0.648 19622
1327 1 3 . 1 1 81 81 SER N N 81 114.994 114.994 114.851 0.143 19622
1328 1 3 . 1 1 81 81 SER HA H 81 3.869 3.869 4.626 -0.757 19622
1329 1 3 . 1 1 81 81 SER C C 81 172.754 172.754 172.185 0.569 19622
1330 1 3 . 1 1 81 81 SER CA C 81 57.892 57.892 57.039 0.853 19622
1331 1 3 . 1 1 81 81 SER CB C 81 66.405 66.405 66.164 0.241 19622
1332 1 3 . 1 1 81 81 SER H H 81 7.604 7.604 7.058 0.546 19622
1333 1 3 . 1 1 82 82 ASP N N 82 120.462 120.462 120.688 -0.226 19622
1334 1 3 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.790 0.374 19622
1335 1 3 . 1 1 82 82 ASP C C 82 178.987 178.987 175.505 3.482 19622
1336 1 3 . 1 1 82 82 ASP CA C 82 56.313 56.313 54.073 2.240 19622
1337 1 3 . 1 1 82 82 ASP CB C 82 39.386 39.386 40.780 -1.394 19622
1338 1 3 . 1 1 82 82 ASP H H 82 8.690 8.690 8.645 0.045 19622
1339 1 3 . 1 1 83 83 CYS N N 83 120.974 120.974 118.895 2.079 19622
1340 1 3 . 1 1 83 83 CYS HA H 83 5.139 5.139 4.953 0.186 19622
1341 1 3 . 1 1 83 83 CYS C C 83 172.614 172.614 173.504 -0.890 19622
1342 1 3 . 1 1 83 83 CYS CA C 83 56.370 56.370 56.057 0.313 19622
1343 1 3 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.636 -0.086 19622
1344 1 3 . 1 1 83 83 CYS H H 83 8.922 8.922 8.368 0.554 19622
1345 1 3 . 1 1 84 84 THR N N 84 116.819 116.819 116.424 0.395 19622
1346 1 3 . 1 1 84 84 THR HA H 84 5.464 5.464 4.953 0.511 19622
1347 1 3 . 1 1 84 84 THR C C 84 173.477 173.477 172.806 0.671 19622
1348 1 3 . 1 1 84 84 THR CA C 84 61.171 61.171 62.358 -1.187 19622
1349 1 3 . 1 1 84 84 THR CB C 84 70.791 70.791 70.855 -0.063 19622
1350 1 3 . 1 1 84 84 THR H H 84 8.637 8.637 8.161 0.476 19622
1351 1 3 . 1 1 85 85 ILE N N 85 127.705 127.705 126.875 0.830 19622
1352 1 3 . 1 1 85 85 ILE HA H 85 4.831 4.831 5.007 -0.176 19622
1353 1 3 . 1 1 85 85 ILE C C 85 174.828 174.828 175.375 -0.547 19622
1354 1 3 . 1 1 85 85 ILE CA C 85 57.901 57.901 58.070 -0.169 19622
1355 1 3 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.619 1.948 19622
1356 1 3 . 1 1 85 85 ILE H H 85 9.433 9.433 9.273 0.160 19622
1357 1 3 . 1 1 86 86 GLN N N 86 128.424 128.424 128.417 0.007 19622
1358 1 3 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.773 0.308 19622
1359 1 3 . 1 1 86 86 GLN C C 86 176.145 176.145 177.187 -1.042 19622
1360 1 3 . 1 1 86 86 GLN CA C 86 54.821 54.821 56.538 -1.717 19622
1361 1 3 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.791 -1.102 19622
1362 1 3 . 1 1 86 86 GLN H H 86 9.533 9.533 9.247 0.286 19622
1363 1 3 . 1 1 87 87 THR N N 87 117.634 117.634 120.581 -2.947 19622
1364 1 3 . 1 1 87 87 THR HA H 87 4.600 4.600 4.455 0.145 19622
1365 1 3 . 1 1 87 87 THR C C 87 175.822 175.822 176.606 -0.784 19622
1366 1 3 . 1 1 87 87 THR CA C 87 62.643 62.643 63.687 -1.044 19622
1367 1 3 . 1 1 87 87 THR CB C 87 68.604 68.604 68.961 -0.357 19622
1368 1 3 . 1 1 87 87 THR H H 87 8.292 8.292 9.081 -0.789 19622
1369 1 3 . 1 1 88 88 HIS N N 88 117.083 117.083 119.322 -2.239 19622
1370 1 3 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.572 0.008 19622
1371 1 3 . 1 1 88 88 HIS C C 88 177.884 177.884 175.777 2.107 19622
1372 1 3 . 1 1 88 88 HIS CA C 88 58.580 58.580 56.814 1.766 19622
1373 1 3 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.063 -1.723 19622
1374 1 3 . 1 1 88 88 HIS H H 88 9.658 9.658 8.794 0.864 19622
1375 1 3 . 1 1 89 89 GLN N N 89 112.869 112.869 118.713 -5.844 19622
1376 1 3 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.521 0.214 19622
1377 1 3 . 1 1 89 89 GLN C C 89 175.239 175.239 176.445 -1.206 19622
1378 1 3 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.574 -0.625 19622
1379 1 3 . 1 1 89 89 GLN CB C 89 29.312 29.312 26.549 2.763 19622
1380 1 3 . 1 1 89 89 GLN H H 89 7.591 7.591 8.013 -0.422 19622
1381 1 3 . 1 1 90 90 GLU N N 90 122.583 122.583 123.378 -0.795 19622
1382 1 3 . 1 1 90 90 GLU HA H 90 3.588 3.588 3.865 -0.277 19622
1383 1 3 . 1 1 90 90 GLU C C 90 177.210 177.210 178.102 -0.892 19622
1384 1 3 . 1 1 90 90 GLU CA C 90 61.485 61.485 60.283 1.202 19622
1385 1 3 . 1 1 90 90 GLU CB C 90 29.147 29.147 29.270 -0.123 19622
1386 1 3 . 1 1 90 90 GLU H H 90 8.327 8.327 7.715 0.612 19622
1387 1 3 . 1 1 91 91 GLU N N 91 115.209 115.209 119.640 -4.431 19622
1388 1 3 . 1 1 91 91 GLU HA H 91 4.041 4.041 4.155 -0.114 19622
1389 1 3 . 1 1 91 91 GLU C C 91 179.055 179.055 178.034 1.021 19622
1390 1 3 . 1 1 91 91 GLU CA C 91 59.647 59.647 59.001 0.646 19622
1391 1 3 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.263 -0.437 19622
1392 1 3 . 1 1 91 91 GLU H H 91 8.666 8.666 8.704 -0.038 19622
1393 1 3 . 1 1 92 92 ALA N N 92 121.790 121.790 120.309 1.481 19622
1394 1 3 . 1 1 92 92 ALA HA H 92 4.212 4.212 4.046 0.166 19622
1395 1 3 . 1 1 92 92 ALA C C 92 179.762 179.762 179.079 0.683 19622
1396 1 3 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.429 -0.229 19622
1397 1 3 . 1 1 92 92 ALA CB C 92 16.917 16.917 18.214 -1.297 19622
1398 1 3 . 1 1 92 92 ALA H H 92 7.628 7.628 7.889 -0.261 19622
1399 1 3 . 1 1 93 93 LEU N N 93 119.699 119.699 115.351 4.348 19622
1400 1 3 . 1 1 93 93 LEU HA H 93 3.263 3.263 3.837 -0.574 19622
1401 1 3 . 1 1 93 93 LEU C C 93 177.803 177.803 177.320 0.483 19622
1402 1 3 . 1 1 93 93 LEU CA C 93 57.031 57.031 56.538 0.493 19622
1403 1 3 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.812 -0.502 19622
1404 1 3 . 1 1 93 93 LEU H H 93 7.694 7.694 7.417 0.277 19622
1405 1 3 . 1 1 94 94 TYR N N 94 116.307 116.307 118.953 -2.646 19622
1406 1 3 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.536 -0.162 19622
1407 1 3 . 1 1 94 94 TYR C C 94 176.548 176.548 176.256 0.292 19622
1408 1 3 . 1 1 94 94 TYR CA C 94 58.822 58.822 59.921 -1.099 19622
1409 1 3 . 1 1 94 94 TYR CB C 94 38.500 38.500 40.224 -1.724 19622
1410 1 3 . 1 1 94 94 TYR H H 94 7.343 7.343 7.832 -0.489 19622
1411 1 3 . 1 1 95 95 GLU N N 95 120.194 120.194 115.932 4.262 19622
1412 1 3 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.271 -0.110 19622
1413 1 3 . 1 1 95 95 GLU C C 95 176.704 176.704 175.348 1.356 19622
1414 1 3 . 1 1 95 95 GLU CA C 95 57.795 57.795 56.619 1.176 19622
1415 1 3 . 1 1 95 95 GLU CB C 95 30.121 30.121 30.740 -0.619 19622
1416 1 3 . 1 1 95 95 GLU H H 95 7.707 7.707 7.758 -0.051 19622
1417 1 3 . 1 1 96 96 ASN N N 96 118.074 118.074 119.019 -0.945 19622
1418 1 3 . 1 1 96 96 ASN HA H 96 4.580 4.580 4.896 -0.316 19622
1419 1 3 . 1 1 96 96 ASN C C 96 176.061 176.061 175.308 0.753 19622
1420 1 3 . 1 1 96 96 ASN CA C 96 54.092 54.092 52.774 1.318 19622
1421 1 3 . 1 1 96 96 ASN CB C 96 38.864 38.864 38.037 0.827 19622
1422 1 3 . 1 1 96 96 ASN H H 96 8.195 8.195 8.181 0.014 19622
1423 1 3 . 1 1 97 97 LEU N N 97 120.760 120.760 123.454 -2.694 19622
1424 1 3 . 1 1 97 97 LEU HA H 97 4.142 4.142 3.861 0.281 19622
1425 1 3 . 1 1 97 97 LEU C C 97 177.094 177.094 177.146 -0.052 19622
1426 1 3 . 1 1 97 97 LEU CA C 97 55.429 55.429 56.564 -1.135 19622
1427 1 3 . 1 1 97 97 LEU CB C 97 42.562 42.562 41.906 0.656 19622
1428 1 3 . 1 1 97 97 LEU H H 97 7.912 7.912 8.604 -0.692 19622
1429 1 3 . 1 1 98 98 TYR N N 98 118.892 118.892 114.182 4.710 19622
1430 1 3 . 1 1 98 98 TYR HA H 98 4.520 4.520 4.032 0.488 19622
1431 1 3 . 1 1 98 98 TYR C C 98 175.296 175.296 174.890 0.406 19622
1432 1 3 . 1 1 98 98 TYR CA C 98 57.640 57.640 59.629 -1.989 19622
1433 1 3 . 1 1 98 98 TYR CB C 98 38.660 38.660 36.570 2.090 19622
1434 1 3 . 1 1 98 98 TYR H H 98 7.898 7.898 8.069 -0.171 19622
1435 1 3 . 1 1 99 99 PHE N N 99 121.225 121.225 117.587 3.638 19622
1436 1 3 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.238 0.240 19622
1437 1 3 . 1 1 99 99 PHE C C 99 174.558 174.558 176.437 -1.879 19622
1438 1 3 . 1 1 99 99 PHE CA C 99 58.151 58.151 59.924 -1.773 19622
1439 1 3 . 1 1 99 99 PHE CB C 99 39.561 39.561 38.965 0.597 19622
1440 1 3 . 1 1 99 99 PHE H H 99 7.931 7.931 6.675 1.256 19622
1441 1 4 . 1 1 1 1 TYR N N 1 121.776 121.776 118.552 3.224 19622
1442 1 4 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.802 0.098 19622
1443 1 4 . 1 1 1 1 TYR C C 1 174.477 174.477 175.134 -0.657 19622
1444 1 4 . 1 1 1 1 TYR CA C 1 57.340 57.340 56.702 0.638 19622
1445 1 4 . 1 1 1 1 TYR CB C 1 40.147 40.147 40.643 -0.496 19622
1446 1 4 . 1 1 1 1 TYR H H 1 8.204 8.204 8.441 -0.237 19622
1447 1 4 . 1 1 2 2 LYS N N 2 122.911 122.911 122.795 0.116 19622
1448 1 4 . 1 1 2 2 LYS HA H 2 4.719 4.719 5.203 -0.484 19622
1449 1 4 . 1 1 2 2 LYS C C 2 176.369 176.369 175.776 0.593 19622
1450 1 4 . 1 1 2 2 LYS CA C 2 55.408 55.408 55.681 -0.273 19622
1451 1 4 . 1 1 2 2 LYS CB C 2 32.636 32.636 33.382 -0.746 19622
1452 1 4 . 1 1 2 2 LYS H H 2 9.291 9.291 8.771 0.520 19622
1453 1 4 . 1 1 3 3 VAL N N 3 128.453 128.453 125.491 2.962 19622
1454 1 4 . 1 1 3 3 VAL HA H 3 4.974 4.974 5.152 -0.178 19622
1455 1 4 . 1 1 3 3 VAL C C 3 175.283 175.283 174.749 0.534 19622
1456 1 4 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.149 1.252 19622
1457 1 4 . 1 1 3 3 VAL CB C 3 33.332 33.332 34.530 -1.198 19622
1458 1 4 . 1 1 3 3 VAL H H 3 9.268 9.268 8.584 0.684 19622
1459 1 4 . 1 1 4 4 THR N N 4 126.298 126.298 125.768 0.530 19622
1460 1 4 . 1 1 4 4 THR HA H 4 4.316 4.316 4.670 -0.354 19622
1461 1 4 . 1 1 4 4 THR C C 4 172.907 172.907 174.196 -1.289 19622
1462 1 4 . 1 1 4 4 THR CA C 4 63.342 63.342 62.759 0.583 19622
1463 1 4 . 1 1 4 4 THR CB C 4 69.170 69.170 68.886 0.284 19622
1464 1 4 . 1 1 4 4 THR H H 4 9.623 9.623 9.080 0.543 19622
1465 1 4 . 1 1 5 5 LEU N N 5 130.058 130.058 130.692 -0.634 19622
1466 1 4 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.863 0.310 19622
1467 1 4 . 1 1 5 5 LEU C C 5 174.969 174.969 175.977 -1.008 19622
1468 1 4 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.554 -1.833 19622
1469 1 4 . 1 1 5 5 LEU CB C 5 41.530 41.530 43.216 -1.686 19622
1470 1 4 . 1 1 5 5 LEU H H 5 9.554 9.554 9.334 0.220 19622
1471 1 4 . 1 1 6 6 LYS N N 6 124.882 124.882 126.221 -1.339 19622
1472 1 4 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.574 0.310 19622
1473 1 4 . 1 1 6 6 LYS C C 6 175.730 175.730 175.568 0.162 19622
1474 1 4 . 1 1 6 6 LYS CA C 6 55.335 55.335 55.066 0.269 19622
1475 1 4 . 1 1 6 6 LYS CB C 6 31.006 31.006 32.547 -1.541 19622
1476 1 4 . 1 1 6 6 LYS H H 6 9.072 9.072 8.875 0.197 19622
1477 1 4 . 1 1 7 7 THR N N 7 117.987 117.987 118.294 -0.307 19622
1478 1 4 . 1 1 7 7 THR HA H 7 5.708 5.708 5.166 0.542 19622
1479 1 4 . 1 1 7 7 THR CA C 7 59.875 59.875 58.514 1.361 19622
1480 1 4 . 1 1 7 7 THR CB C 7 69.582 69.582 69.942 -0.360 19622
1481 1 4 . 1 1 7 7 THR H H 7 7.750 7.750 7.711 0.039 19622
1482 1 4 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.304 0.030 19622
1483 1 4 . 1 1 8 8 PRO C C 8 177.136 177.136 176.841 0.295 19622
1484 1 4 . 1 1 8 8 PRO CA C 8 64.777 64.777 64.438 0.340 19622
1485 1 4 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.652 0.082 19622
1486 1 4 . 1 1 9 9 SER N N 9 109.200 109.200 112.030 -2.830 19622
1487 1 4 . 1 1 9 9 SER HA H 9 4.629 4.629 4.459 0.170 19622
1488 1 4 . 1 1 9 9 SER C C 9 173.571 173.571 174.865 -1.294 19622
1489 1 4 . 1 1 9 9 SER CA C 9 57.371 57.371 58.832 -1.461 19622
1490 1 4 . 1 1 9 9 SER CB C 9 63.513 63.513 64.645 -1.132 19622
1491 1 4 . 1 1 9 9 SER H H 9 7.739 7.739 7.801 -0.062 19622
1492 1 4 . 1 1 10 10 GLY N N 10 110.027 110.027 109.901 0.126 19622
1493 1 4 . 1 1 10 10 GLY C C 10 174.096 174.096 171.860 2.236 19622
1494 1 4 . 1 1 10 10 GLY CA C 10 43.987 43.987 44.632 -0.645 19622
1495 1 4 . 1 1 10 10 GLY H H 10 7.526 7.526 7.739 -0.213 19622
1496 1 4 . 1 1 11 11 ASP N N 11 123.154 123.154 119.618 3.536 19622
1497 1 4 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.555 0.115 19622
1498 1 4 . 1 1 11 11 ASP C C 11 176.750 176.750 176.030 0.720 19622
1499 1 4 . 1 1 11 11 ASP CA C 11 53.710 53.710 53.352 0.358 19622
1500 1 4 . 1 1 11 11 ASP CB C 11 41.085 41.085 42.174 -1.089 19622
1501 1 4 . 1 1 11 11 ASP H H 11 8.808 8.808 8.368 0.440 19622
1502 1 4 . 1 1 12 12 LYS N N 12 123.685 123.685 122.734 0.951 19622
1503 1 4 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.612 0.066 19622
1504 1 4 . 1 1 12 12 LYS C C 12 174.777 174.777 174.863 -0.086 19622
1505 1 4 . 1 1 12 12 LYS CA C 12 55.024 55.024 54.870 0.154 19622
1506 1 4 . 1 1 12 12 LYS CB C 12 36.206 36.206 36.132 0.074 19622
1507 1 4 . 1 1 12 12 LYS H H 12 9.108 9.108 8.713 0.395 19622
1508 1 4 . 1 1 13 13 THR N N 13 122.136 122.136 122.186 -0.050 19622
1509 1 4 . 1 1 13 13 THR HA H 13 5.314 5.314 5.030 0.284 19622
1510 1 4 . 1 1 13 13 THR C C 13 174.082 174.082 174.708 -0.626 19622
1511 1 4 . 1 1 13 13 THR CA C 13 62.397 62.397 62.529 -0.132 19622
1512 1 4 . 1 1 13 13 THR CB C 13 69.809 69.809 69.085 0.724 19622
1513 1 4 . 1 1 13 13 THR H H 13 8.935 8.935 8.334 0.601 19622
1514 1 4 . 1 1 14 14 ILE N N 14 122.466 122.466 121.472 0.994 19622
1515 1 4 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.634 0.194 19622
1516 1 4 . 1 1 14 14 ILE C C 14 174.083 174.083 174.152 -0.069 19622
1517 1 4 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.916 -0.460 19622
1518 1 4 . 1 1 14 14 ILE CB C 14 41.510 41.510 40.879 0.631 19622
1519 1 4 . 1 1 14 14 ILE H H 14 9.113 9.113 8.927 0.186 19622
1520 1 4 . 1 1 15 15 GLU N N 15 121.208 121.208 121.146 0.062 19622
1521 1 4 . 1 1 15 15 GLU HA H 15 4.928 4.928 5.013 -0.085 19622
1522 1 4 . 1 1 15 15 GLU C C 15 175.553 175.553 175.298 0.255 19622
1523 1 4 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.414 -0.235 19622
1524 1 4 . 1 1 15 15 GLU CB C 15 31.093 31.093 30.445 0.648 19622
1525 1 4 . 1 1 15 15 GLU H H 15 8.510 8.510 8.578 -0.068 19622
1526 1 4 . 1 1 16 16 CYS N N 16 125.232 125.232 124.198 1.034 19622
1527 1 4 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.957 0.129 19622
1528 1 4 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.356 0.305 19622
1529 1 4 . 1 1 16 16 CYS CB C 16 31.298 31.298 29.903 1.395 19622
1530 1 4 . 1 1 16 16 CYS H H 16 9.306 9.306 8.941 0.365 19622
1531 1 4 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.311 0.224 19622
1532 1 4 . 1 1 17 17 PRO C C 17 175.733 175.733 176.521 -0.788 19622
1533 1 4 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.290 -0.400 19622
1534 1 4 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.256 0.886 19622
1535 1 4 . 1 1 18 18 ALA N N 18 120.277 120.277 120.493 -0.216 19622
1536 1 4 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.308 -0.056 19622
1537 1 4 . 1 1 18 18 ALA C C 18 177.177 177.177 176.873 0.304 19622
1538 1 4 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.500 0.453 19622
1539 1 4 . 1 1 18 18 ALA CB C 18 19.449 19.449 18.889 0.560 19622
1540 1 4 . 1 1 18 18 ALA H H 18 8.622 8.622 8.429 0.193 19622
1541 1 4 . 1 1 19 19 ASP N N 19 112.081 112.081 110.720 1.361 19622
1542 1 4 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.025 0.098 19622
1543 1 4 . 1 1 19 19 ASP C C 19 175.263 175.263 174.924 0.339 19622
1544 1 4 . 1 1 19 19 ASP CA C 19 52.705 52.705 52.923 -0.218 19622
1545 1 4 . 1 1 19 19 ASP CB C 19 39.747 39.747 41.320 -1.573 19622
1546 1 4 . 1 1 19 19 ASP H H 19 7.950 7.950 7.745 0.205 19622
1547 1 4 . 1 1 20 20 THR N N 20 117.760 117.760 117.560 0.200 19622
1548 1 4 . 1 1 20 20 THR HA H 20 4.555 4.555 4.218 0.337 19622
1549 1 4 . 1 1 20 20 THR C C 20 171.521 171.521 172.980 -1.459 19622
1550 1 4 . 1 1 20 20 THR CA C 20 61.849 61.849 61.434 0.415 19622
1551 1 4 . 1 1 20 20 THR CB C 20 72.498 72.498 70.883 1.615 19622
1552 1 4 . 1 1 20 20 THR H H 20 7.550 7.550 6.850 0.700 19622
1553 1 4 . 1 1 21 21 TYR N N 21 124.181 124.181 125.811 -1.630 19622
1554 1 4 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.784 -0.094 19622
1555 1 4 . 1 1 21 21 TYR C C 21 171.626 171.626 177.392 -5.766 19622
1556 1 4 . 1 1 21 21 TYR CA C 21 55.120 55.120 59.797 -4.677 19622
1557 1 4 . 1 1 21 21 TYR CB C 21 38.570 38.570 38.099 0.471 19622
1558 1 4 . 1 1 21 21 TYR H H 21 8.594 8.594 8.634 -0.040 19622
1559 1 4 . 1 1 22 22 ILE N N 22 120.076 120.076 123.754 -3.678 19622
1560 1 4 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.733 -0.018 19622
1561 1 4 . 1 1 22 22 ILE C C 22 177.421 177.421 178.041 -0.620 19622
1562 1 4 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.709 -0.268 19622
1563 1 4 . 1 1 22 22 ILE CB C 22 38.297 38.297 37.967 0.330 19622
1564 1 4 . 1 1 22 22 ILE H H 22 9.140 9.140 8.980 0.160 19622
1565 1 4 . 1 1 23 23 LEU N N 23 115.378 115.378 117.269 -1.891 19622
1566 1 4 . 1 1 23 23 LEU HA H 23 3.869 3.869 3.900 -0.031 19622
1567 1 4 . 1 1 23 23 LEU C C 23 176.741 176.741 178.590 -1.849 19622
1568 1 4 . 1 1 23 23 LEU CA C 23 57.892 57.892 57.895 -0.003 19622
1569 1 4 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.291 2.338 19622
1570 1 4 . 1 1 23 23 LEU H H 23 7.382 7.382 7.628 -0.246 19622
1571 1 4 . 1 1 24 24 ASP N N 24 116.687 116.687 119.890 -3.203 19622
1572 1 4 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.236 0.078 19622
1573 1 4 . 1 1 24 24 ASP C C 24 178.902 178.902 177.883 1.019 19622
1574 1 4 . 1 1 24 24 ASP CA C 24 57.792 57.792 57.342 0.450 19622
1575 1 4 . 1 1 24 24 ASP CB C 24 39.971 39.971 41.026 -1.055 19622
1576 1 4 . 1 1 24 24 ASP H H 24 6.747 6.747 8.289 -1.542 19622
1577 1 4 . 1 1 25 25 ALA N N 25 122.742 122.742 122.410 0.332 19622
1578 1 4 . 1 1 25 25 ALA HA H 25 4.231 4.231 4.062 0.169 19622
1579 1 4 . 1 1 25 25 ALA C C 25 180.559 180.559 179.361 1.198 19622
1580 1 4 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.547 0.343 19622
1581 1 4 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.389 0.803 19622
1582 1 4 . 1 1 25 25 ALA H H 25 8.045 8.045 7.534 0.511 19622
1583 1 4 . 1 1 26 26 ALA N N 26 122.264 122.264 122.699 -0.435 19622
1584 1 4 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.941 0.003 19622
1585 1 4 . 1 1 26 26 ALA C C 26 179.219 179.219 179.337 -0.118 19622
1586 1 4 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.457 -0.032 19622
1587 1 4 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.579 0.116 19622
1588 1 4 . 1 1 26 26 ALA H H 26 8.701 8.701 8.520 0.181 19622
1589 1 4 . 1 1 27 27 GLU N N 27 119.508 119.508 117.967 1.541 19622
1590 1 4 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.116 0.187 19622
1591 1 4 . 1 1 27 27 GLU C C 27 169.931 169.931 178.682 -8.751 19622
1592 1 4 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.456 1.087 19622
1593 1 4 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.249 0.209 19622
1594 1 4 . 1 1 27 27 GLU H H 27 8.567 8.567 8.181 0.386 19622
1595 1 4 . 1 1 28 28 GLU N N 28 122.658 122.658 120.457 2.201 19622
1596 1 4 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.064 0.041 19622
1597 1 4 . 1 1 28 28 GLU C C 28 177.634 177.634 177.801 -0.167 19622
1598 1 4 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.499 0.765 19622
1599 1 4 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.549 -0.494 19622
1600 1 4 . 1 1 28 28 GLU H H 28 8.164 8.164 7.631 0.533 19622
1601 1 4 . 1 1 29 29 ALA N N 29 119.216 119.216 118.631 0.585 19622
1602 1 4 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.148 0.328 19622
1603 1 4 . 1 1 29 29 ALA C C 29 177.282 177.282 177.520 -0.238 19622
1604 1 4 . 1 1 29 29 ALA CA C 29 52.052 52.052 53.135 -1.083 19622
1605 1 4 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.666 -0.551 19622
1606 1 4 . 1 1 29 29 ALA H H 29 7.433 7.433 7.972 -0.539 19622
1607 1 4 . 1 1 30 30 GLY N N 30 106.654 106.654 104.560 2.094 19622
1608 1 4 . 1 1 30 30 GLY C C 30 174.629 174.629 174.469 0.160 19622
1609 1 4 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.532 0.859 19622
1610 1 4 . 1 1 30 30 GLY H H 30 7.932 7.932 7.509 0.423 19622
1611 1 4 . 1 1 31 31 LEU N N 31 121.203 121.203 119.943 1.260 19622
1612 1 4 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.520 -0.064 19622
1613 1 4 . 1 1 31 31 LEU C C 31 175.406 175.406 177.340 -1.934 19622
1614 1 4 . 1 1 31 31 LEU CA C 31 54.656 54.656 54.059 0.597 19622
1615 1 4 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.266 0.363 19622
1616 1 4 . 1 1 31 31 LEU H H 31 8.078 8.078 7.496 0.582 19622
1617 1 4 . 1 1 32 32 ASP N N 32 121.884 121.884 123.412 -1.528 19622
1618 1 4 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.668 0.241 19622
1619 1 4 . 1 1 32 32 ASP C C 32 174.882 174.882 174.956 -0.074 19622
1620 1 4 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.054 0.064 19622
1621 1 4 . 1 1 32 32 ASP CB C 32 41.068 41.068 39.785 1.283 19622
1622 1 4 . 1 1 32 32 ASP H H 32 8.418 8.418 8.682 -0.264 19622
1623 1 4 . 1 1 33 33 LEU N N 33 124.734 124.734 120.947 3.787 19622
1624 1 4 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.629 0.036 19622
1625 1 4 . 1 1 33 33 LEU CA C 33 51.940 51.940 52.854 -0.914 19622
1626 1 4 . 1 1 33 33 LEU CB C 33 42.403 42.403 43.926 -1.523 19622
1627 1 4 . 1 1 33 33 LEU H H 33 8.088 8.088 7.500 0.588 19622
1628 1 4 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.303 0.069 19622
1629 1 4 . 1 1 34 34 PRO CA C 34 62.760 62.760 62.848 -0.088 19622
1630 1 4 . 1 1 34 34 PRO CB C 34 32.298 32.298 31.193 1.105 19622
1631 1 4 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.366 0.363 19622
1632 1 4 . 1 1 46 46 ALA C C 46 178.058 178.058 177.615 0.443 19622
1633 1 4 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.468 1.736 19622
1634 1 4 . 1 1 46 46 ALA CB C 46 18.088 18.088 19.138 -1.050 19622
1635 1 4 . 1 1 47 47 GLY N N 47 112.650 112.650 112.035 0.615 19622
1636 1 4 . 1 1 47 47 GLY C C 47 178.913 178.913 172.653 6.260 19622
1637 1 4 . 1 1 47 47 GLY CA C 47 44.047 44.047 44.703 -0.656 19622
1638 1 4 . 1 1 47 47 GLY H H 47 9.815 9.815 8.202 1.613 19622
1639 1 4 . 1 1 48 48 LYS N N 48 120.076 120.076 119.513 0.563 19622
1640 1 4 . 1 1 48 48 LYS HA H 48 4.936 4.936 4.989 -0.053 19622
1641 1 4 . 1 1 48 48 LYS C C 48 175.432 175.432 175.658 -0.226 19622
1642 1 4 . 1 1 48 48 LYS CA C 48 54.866 54.866 53.622 1.244 19622
1643 1 4 . 1 1 48 48 LYS CB C 48 36.588 36.588 34.830 1.758 19622
1644 1 4 . 1 1 48 48 LYS H H 48 9.129 9.129 8.814 0.315 19622
1645 1 4 . 1 1 49 49 VAL N N 49 127.642 127.642 126.351 1.291 19622
1646 1 4 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.876 0.065 19622
1647 1 4 . 1 1 49 49 VAL C C 49 175.133 175.133 175.571 -0.438 19622
1648 1 4 . 1 1 49 49 VAL CA C 49 63.365 63.365 63.596 -0.231 19622
1649 1 4 . 1 1 49 49 VAL CB C 49 31.981 31.981 31.517 0.464 19622
1650 1 4 . 1 1 49 49 VAL H H 49 9.523 9.523 8.301 1.222 19622
1651 1 4 . 1 1 50 50 ALA N N 50 102.132 102.132 131.210 -29.078 19622
1652 1 4 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.425 0.008 19622
1653 1 4 . 1 1 50 50 ALA C C 50 177.108 177.108 176.600 0.508 19622
1654 1 4 . 1 1 50 50 ALA CA C 50 52.234 52.234 52.897 -0.663 19622
1655 1 4 . 1 1 50 50 ALA CB C 50 19.925 19.925 20.178 -0.253 19622
1656 1 4 . 1 1 50 50 ALA H H 50 8.792 8.792 8.903 -0.111 19622
1657 1 4 . 1 1 51 51 ALA N N 51 119.480 119.480 118.833 0.647 19622
1658 1 4 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.635 -0.135 19622
1659 1 4 . 1 1 51 51 ALA C C 51 176.563 176.563 176.746 -0.183 19622
1660 1 4 . 1 1 51 51 ALA CA C 51 52.396 52.396 50.880 1.516 19622
1661 1 4 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.485 1.223 19622
1662 1 4 . 1 1 51 51 ALA H H 51 7.745 7.745 8.040 -0.295 19622
1663 1 4 . 1 1 52 52 GLY N N 52 108.710 108.710 108.305 0.405 19622
1664 1 4 . 1 1 52 52 GLY C C 52 172.018 172.018 173.915 -1.897 19622
1665 1 4 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.360 -1.331 19622
1666 1 4 . 1 1 52 52 GLY H H 52 8.516 8.516 8.591 -0.075 19622
1667 1 4 . 1 1 53 53 THR N N 53 106.654 106.654 112.530 -5.876 19622
1668 1 4 . 1 1 53 53 THR HA H 53 4.707 4.707 4.517 0.190 19622
1669 1 4 . 1 1 53 53 THR C C 53 173.198 173.198 172.589 0.609 19622
1670 1 4 . 1 1 53 53 THR CA C 53 59.740 59.740 60.115 -0.375 19622
1671 1 4 . 1 1 53 53 THR CB C 53 72.296 72.296 72.465 -0.169 19622
1672 1 4 . 1 1 53 53 THR H H 53 7.932 7.932 8.029 -0.097 19622
1673 1 4 . 1 1 54 54 VAL N N 54 110.217 110.217 114.688 -4.471 19622
1674 1 4 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.812 0.218 19622
1675 1 4 . 1 1 54 54 VAL C C 54 174.681 174.681 174.080 0.601 19622
1676 1 4 . 1 1 54 54 VAL CA C 54 58.343 58.343 58.926 -0.583 19622
1677 1 4 . 1 1 54 54 VAL CB C 54 36.031 36.031 34.623 1.409 19622
1678 1 4 . 1 1 54 54 VAL H H 54 8.211 8.211 8.398 -0.187 19622
1679 1 4 . 1 1 55 55 ASP N N 55 121.085 121.085 121.369 -0.284 19622
1680 1 4 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.770 0.249 19622
1681 1 4 . 1 1 55 55 ASP C C 55 175.900 175.900 174.926 0.974 19622
1682 1 4 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.373 -0.194 19622
1683 1 4 . 1 1 55 55 ASP CB C 55 43.430 43.430 41.191 2.239 19622
1684 1 4 . 1 1 55 55 ASP H H 55 9.535 9.535 8.691 0.844 19622
1685 1 4 . 1 1 56 56 GLN N N 56 124.248 124.248 125.227 -0.979 19622
1686 1 4 . 1 1 56 56 GLN HA H 56 5.532 5.532 5.096 0.436 19622
1687 1 4 . 1 1 56 56 GLN C C 56 176.233 176.233 175.989 0.244 19622
1688 1 4 . 1 1 56 56 GLN CA C 56 53.067 53.067 54.127 -1.060 19622
1689 1 4 . 1 1 56 56 GLN CB C 56 28.423 28.423 28.276 0.147 19622
1690 1 4 . 1 1 56 56 GLN H H 56 9.270 9.270 8.463 0.807 19622
1691 1 4 . 1 1 57 57 SER N N 57 118.299 118.299 117.094 1.205 19622
1692 1 4 . 1 1 57 57 SER HA H 57 4.234 4.234 4.276 -0.042 19622
1693 1 4 . 1 1 57 57 SER C C 57 175.154 175.154 175.074 0.080 19622
1694 1 4 . 1 1 57 57 SER CA C 57 62.676 62.676 60.489 2.188 19622
1695 1 4 . 1 1 57 57 SER CB C 57 63.213 63.213 63.260 -0.047 19622
1696 1 4 . 1 1 57 57 SER H H 57 8.491 8.491 7.857 0.634 19622
1697 1 4 . 1 1 58 58 ASP N N 58 119.055 119.055 121.653 -2.598 19622
1698 1 4 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.889 -0.170 19622
1699 1 4 . 1 1 58 58 ASP C C 58 176.196 176.196 173.905 2.291 19622
1700 1 4 . 1 1 58 58 ASP CA C 58 55.408 55.408 53.650 1.758 19622
1701 1 4 . 1 1 58 58 ASP CB C 58 40.293 40.293 40.810 -0.517 19622
1702 1 4 . 1 1 58 58 ASP H H 58 8.885 8.885 8.422 0.463 19622
1703 1 4 . 1 1 59 59 GLN N N 59 122.287 122.287 119.059 3.228 19622
1704 1 4 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.424 -0.209 19622
1705 1 4 . 1 1 59 59 GLN C C 59 174.169 174.169 176.160 -1.991 19622
1706 1 4 . 1 1 59 59 GLN CA C 59 55.943 55.943 55.211 0.732 19622
1707 1 4 . 1 1 59 59 GLN CB C 59 29.290 29.290 31.121 -1.831 19622
1708 1 4 . 1 1 59 59 GLN H H 59 8.394 8.394 7.770 0.624 19622
1709 1 4 . 1 1 60 60 SER N N 60 113.844 113.844 118.964 -5.120 19622
1710 1 4 . 1 1 60 60 SER HA H 60 4.729 4.729 4.489 0.240 19622
1711 1 4 . 1 1 60 60 SER C C 60 173.467 173.467 175.482 -2.015 19622
1712 1 4 . 1 1 60 60 SER CA C 60 58.201 58.201 59.335 -1.134 19622
1713 1 4 . 1 1 60 60 SER CB C 60 65.221 65.221 63.745 1.476 19622
1714 1 4 . 1 1 60 60 SER H H 60 8.871 8.871 8.634 0.237 19622
1715 1 4 . 1 1 61 61 PHE N N 61 123.610 123.610 116.606 7.004 19622
1716 1 4 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.826 -0.429 19622
1717 1 4 . 1 1 61 61 PHE C C 61 176.268 176.268 174.629 1.639 19622
1718 1 4 . 1 1 61 61 PHE CA C 61 60.986 60.986 56.011 4.975 19622
1719 1 4 . 1 1 61 61 PHE CB C 61 43.362 43.362 38.733 4.630 19622
1720 1 4 . 1 1 61 61 PHE H H 61 7.691 7.691 7.962 -0.271 19622
1721 1 4 . 1 1 62 62 LEU N N 62 121.203 121.203 122.296 -1.093 19622
1722 1 4 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.308 0.038 19622
1723 1 4 . 1 1 62 62 LEU C C 62 177.920 177.920 175.024 2.896 19622
1724 1 4 . 1 1 62 62 LEU CA C 62 54.152 54.152 54.218 -0.066 19622
1725 1 4 . 1 1 62 62 LEU CB C 62 42.638 42.638 43.532 -0.894 19622
1726 1 4 . 1 1 62 62 LEU H H 62 10.705 10.705 7.427 3.278 19622
1727 1 4 . 1 1 63 63 ASP N N 63 121.418 121.418 123.480 -2.062 19622
1728 1 4 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.847 -0.167 19622
1729 1 4 . 1 1 63 63 ASP C C 63 176.479 176.479 175.969 0.510 19622
1730 1 4 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.302 -1.564 19622
1731 1 4 . 1 1 63 63 ASP CB C 63 41.706 41.706 43.643 -1.937 19622
1732 1 4 . 1 1 63 63 ASP H H 63 8.672 8.672 8.149 0.523 19622
1733 1 4 . 1 1 64 64 ASP N N 64 117.220 117.220 119.713 -2.493 19622
1734 1 4 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.339 -0.056 19622
1735 1 4 . 1 1 64 64 ASP C C 64 179.309 179.309 178.008 1.301 19622
1736 1 4 . 1 1 64 64 ASP CA C 64 57.917 57.917 57.701 0.216 19622
1737 1 4 . 1 1 64 64 ASP CB C 64 40.862 40.862 41.051 -0.189 19622
1738 1 4 . 1 1 64 64 ASP H H 64 8.282 8.282 8.641 -0.359 19622
1739 1 4 . 1 1 65 65 ALA N N 65 125.398 125.398 120.995 4.403 19622
1740 1 4 . 1 1 65 65 ALA HA H 65 4.137 4.137 4.108 0.029 19622
1741 1 4 . 1 1 65 65 ALA C C 65 180.917 180.917 179.934 0.983 19622
1742 1 4 . 1 1 65 65 ALA CA C 65 54.858 54.858 54.764 0.094 19622
1743 1 4 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.038 -0.289 19622
1744 1 4 . 1 1 65 65 ALA H H 65 8.215 8.215 8.420 -0.205 19622
1745 1 4 . 1 1 66 66 GLN N N 66 119.386 119.386 116.968 2.418 19622
1746 1 4 . 1 1 66 66 GLN HA H 66 4.315 4.315 4.075 0.240 19622
1747 1 4 . 1 1 66 66 GLN C C 66 180.587 180.587 178.230 2.357 19622
1748 1 4 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.507 0.544 19622
1749 1 4 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.411 0.316 19622
1750 1 4 . 1 1 66 66 GLN H H 66 8.821 8.821 7.663 1.158 19622
1751 1 4 . 1 1 67 67 MET N N 67 118.975 118.975 120.188 -1.213 19622
1752 1 4 . 1 1 67 67 MET HA H 67 4.432 4.432 4.457 -0.025 19622
1753 1 4 . 1 1 67 67 MET C C 67 181.267 181.267 178.308 2.959 19622
1754 1 4 . 1 1 67 67 MET CA C 67 59.988 59.988 58.567 1.421 19622
1755 1 4 . 1 1 67 67 MET CB C 67 33.535 33.535 32.544 0.991 19622
1756 1 4 . 1 1 67 67 MET H H 67 8.504 8.504 7.498 1.006 19622
1757 1 4 . 1 1 68 68 GLY N N 68 110.904 110.904 106.134 4.770 19622
1758 1 4 . 1 1 68 68 GLY C C 68 174.778 174.778 175.624 -0.846 19622
1759 1 4 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.561 0.126 19622
1760 1 4 . 1 1 68 68 GLY H H 68 8.697 8.697 8.220 0.477 19622
1761 1 4 . 1 1 69 69 ASN N N 69 118.203 118.203 118.770 -0.567 19622
1762 1 4 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.431 0.461 19622
1763 1 4 . 1 1 69 69 ASN C C 69 174.610 174.610 175.287 -0.677 19622
1764 1 4 . 1 1 69 69 ASN CA C 69 53.121 53.121 52.972 0.149 19622
1765 1 4 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.600 0.795 19622
1766 1 4 . 1 1 69 69 ASN H H 69 7.536 7.536 7.694 -0.158 19622
1767 1 4 . 1 1 70 70 GLY N N 70 104.994 104.994 105.116 -0.122 19622
1768 1 4 . 1 1 70 70 GLY C C 70 174.423 174.423 173.544 0.879 19622
1769 1 4 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.761 0.417 19622
1770 1 4 . 1 1 70 70 GLY H H 70 7.725 7.725 7.519 0.206 19622
1771 1 4 . 1 1 71 71 PHE N N 71 117.987 117.987 120.012 -2.025 19622
1772 1 4 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.962 0.079 19622
1773 1 4 . 1 1 71 71 PHE C C 71 175.618 175.618 174.642 0.976 19622
1774 1 4 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.639 4.851 19622
1775 1 4 . 1 1 71 71 PHE CB C 71 39.860 39.860 41.315 -1.455 19622
1776 1 4 . 1 1 71 71 PHE H H 71 7.750 7.750 8.007 -0.257 19622
1777 1 4 . 1 1 72 72 VAL N N 72 117.069 117.069 114.048 3.021 19622
1778 1 4 . 1 1 72 72 VAL HA H 72 5.073 5.073 4.706 0.367 19622
1779 1 4 . 1 1 72 72 VAL CA C 72 57.273 57.273 59.225 -1.952 19622
1780 1 4 . 1 1 72 72 VAL CB C 72 34.219 34.219 36.162 -1.943 19622
1781 1 4 . 1 1 72 72 VAL H H 72 8.578 8.578 9.141 -0.563 19622
1782 1 4 . 1 1 76 76 VAL HA H 76 2.939 2.939 3.942 -1.003 19622
1783 1 4 . 1 1 76 76 VAL C C 76 172.825 172.825 173.497 -0.672 19622
1784 1 4 . 1 1 76 76 VAL CA C 76 59.273 59.273 60.144 -0.871 19622
1785 1 4 . 1 1 76 76 VAL CB C 76 31.330 31.330 31.514 -0.184 19622
1786 1 4 . 1 1 77 77 ALA N N 77 120.939 120.939 122.252 -1.313 19622
1787 1 4 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.526 -0.385 19622
1788 1 4 . 1 1 77 77 ALA C C 77 175.744 175.744 175.486 0.258 19622
1789 1 4 . 1 1 77 77 ALA CA C 77 49.687 49.687 51.035 -1.347 19622
1790 1 4 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.073 0.266 19622
1791 1 4 . 1 1 77 77 ALA H H 77 6.318 6.318 7.501 -1.183 19622
1792 1 4 . 1 1 78 78 TYR N N 78 122.466 122.466 118.980 3.486 19622
1793 1 4 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.054 0.326 19622
1794 1 4 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.298 0.098 19622
1795 1 4 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.475 0.185 19622
1796 1 4 . 1 1 78 78 TYR H H 78 9.113 9.113 7.625 1.488 19622
1797 1 4 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.703 0.041 19622
1798 1 4 . 1 1 79 79 PRO C C 79 176.434 176.434 176.954 -0.520 19622
1799 1 4 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.963 0.382 19622
1800 1 4 . 1 1 79 79 PRO CB C 79 31.141 31.141 31.650 -0.509 19622
1801 1 4 . 1 1 80 80 THR N N 80 110.712 110.712 114.830 -4.118 19622
1802 1 4 . 1 1 80 80 THR HA H 80 4.204 4.204 4.058 0.146 19622
1803 1 4 . 1 1 80 80 THR C C 80 171.733 171.733 173.990 -2.257 19622
1804 1 4 . 1 1 80 80 THR CA C 80 60.121 60.121 62.472 -2.351 19622
1805 1 4 . 1 1 80 80 THR CB C 80 68.267 68.267 69.100 -0.833 19622
1806 1 4 . 1 1 80 80 THR H H 80 8.470 8.470 8.153 0.317 19622
1807 1 4 . 1 1 81 81 SER N N 81 114.994 114.994 115.240 -0.246 19622
1808 1 4 . 1 1 81 81 SER HA H 81 3.869 3.869 4.234 -0.365 19622
1809 1 4 . 1 1 81 81 SER C C 81 172.754 172.754 172.074 0.680 19622
1810 1 4 . 1 1 81 81 SER CA C 81 57.892 57.892 56.628 1.264 19622
1811 1 4 . 1 1 81 81 SER CB C 81 66.405 66.405 65.408 0.997 19622
1812 1 4 . 1 1 81 81 SER H H 81 7.604 7.604 7.205 0.399 19622
1813 1 4 . 1 1 82 82 ASP N N 82 120.462 120.462 120.082 0.380 19622
1814 1 4 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.762 0.402 19622
1815 1 4 . 1 1 82 82 ASP C C 82 178.987 178.987 176.381 2.606 19622
1816 1 4 . 1 1 82 82 ASP CA C 82 56.313 56.313 54.570 1.743 19622
1817 1 4 . 1 1 82 82 ASP CB C 82 39.386 39.386 40.589 -1.202 19622
1818 1 4 . 1 1 82 82 ASP H H 82 8.690 8.690 8.615 0.075 19622
1819 1 4 . 1 1 83 83 CYS N N 83 120.974 120.974 118.584 2.390 19622
1820 1 4 . 1 1 83 83 CYS HA H 83 5.139 5.139 4.987 0.152 19622
1821 1 4 . 1 1 83 83 CYS C C 83 172.614 172.614 173.422 -0.808 19622
1822 1 4 . 1 1 83 83 CYS CA C 83 56.370 56.370 56.550 -0.180 19622
1823 1 4 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.698 -0.148 19622
1824 1 4 . 1 1 83 83 CYS H H 83 8.922 8.922 8.489 0.433 19622
1825 1 4 . 1 1 84 84 THR N N 84 116.819 116.819 116.569 0.250 19622
1826 1 4 . 1 1 84 84 THR HA H 84 5.464 5.464 4.960 0.504 19622
1827 1 4 . 1 1 84 84 THR C C 84 173.477 173.477 172.770 0.707 19622
1828 1 4 . 1 1 84 84 THR CA C 84 61.171 61.171 62.292 -1.121 19622
1829 1 4 . 1 1 84 84 THR CB C 84 70.791 70.791 70.873 -0.082 19622
1830 1 4 . 1 1 84 84 THR H H 84 8.637 8.637 8.170 0.467 19622
1831 1 4 . 1 1 85 85 ILE N N 85 127.705 127.705 126.421 1.284 19622
1832 1 4 . 1 1 85 85 ILE HA H 85 4.831 4.831 4.897 -0.066 19622
1833 1 4 . 1 1 85 85 ILE C C 85 174.828 174.828 175.792 -0.964 19622
1834 1 4 . 1 1 85 85 ILE CA C 85 57.901 57.901 58.156 -0.255 19622
1835 1 4 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.674 1.893 19622
1836 1 4 . 1 1 85 85 ILE H H 85 9.433 9.433 9.128 0.305 19622
1837 1 4 . 1 1 86 86 GLN N N 86 128.424 128.424 128.430 -0.006 19622
1838 1 4 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.581 0.500 19622
1839 1 4 . 1 1 86 86 GLN C C 86 176.145 176.145 177.322 -1.177 19622
1840 1 4 . 1 1 86 86 GLN CA C 86 54.821 54.821 57.543 -2.722 19622
1841 1 4 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.464 -0.775 19622
1842 1 4 . 1 1 86 86 GLN H H 86 9.533 9.533 9.211 0.322 19622
1843 1 4 . 1 1 87 87 THR N N 87 117.634 117.634 118.353 -0.719 19622
1844 1 4 . 1 1 87 87 THR HA H 87 4.600 4.600 4.554 0.045 19622
1845 1 4 . 1 1 87 87 THR C C 87 175.822 175.822 176.358 -0.536 19622
1846 1 4 . 1 1 87 87 THR CA C 87 62.643 62.643 63.803 -1.160 19622
1847 1 4 . 1 1 87 87 THR CB C 87 68.604 68.604 69.037 -0.433 19622
1848 1 4 . 1 1 87 87 THR H H 87 8.292 8.292 8.729 -0.437 19622
1849 1 4 . 1 1 88 88 HIS N N 88 117.083 117.083 120.064 -2.981 19622
1850 1 4 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.560 0.020 19622
1851 1 4 . 1 1 88 88 HIS C C 88 177.884 177.884 175.029 2.855 19622
1852 1 4 . 1 1 88 88 HIS CA C 88 58.580 58.580 56.718 1.861 19622
1853 1 4 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.126 -1.786 19622
1854 1 4 . 1 1 88 88 HIS H H 88 9.658 9.658 8.755 0.903 19622
1855 1 4 . 1 1 89 89 GLN N N 89 112.869 112.869 117.980 -5.111 19622
1856 1 4 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.536 0.199 19622
1857 1 4 . 1 1 89 89 GLN C C 89 175.239 175.239 176.527 -1.288 19622
1858 1 4 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.839 -0.890 19622
1859 1 4 . 1 1 89 89 GLN CB C 89 29.312 29.312 26.890 2.422 19622
1860 1 4 . 1 1 89 89 GLN H H 89 7.591 7.591 7.657 -0.066 19622
1861 1 4 . 1 1 90 90 GLU N N 90 122.583 122.583 120.984 1.599 19622
1862 1 4 . 1 1 90 90 GLU HA H 90 3.588 3.588 4.025 -0.437 19622
1863 1 4 . 1 1 90 90 GLU C C 90 177.210 177.210 178.175 -0.965 19622
1864 1 4 . 1 1 90 90 GLU CA C 90 61.485 61.485 59.473 2.012 19622
1865 1 4 . 1 1 90 90 GLU CB C 90 29.147 29.147 28.507 0.640 19622
1866 1 4 . 1 1 90 90 GLU H H 90 8.327 8.327 7.624 0.703 19622
1867 1 4 . 1 1 91 91 GLU N N 91 115.209 115.209 120.670 -5.461 19622
1868 1 4 . 1 1 91 91 GLU HA H 91 4.041 4.041 4.085 -0.044 19622
1869 1 4 . 1 1 91 91 GLU C C 91 179.055 179.055 178.102 0.953 19622
1870 1 4 . 1 1 91 91 GLU CA C 91 59.647 59.647 58.480 1.167 19622
1871 1 4 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.434 -0.608 19622
1872 1 4 . 1 1 91 91 GLU H H 91 8.666 8.666 8.546 0.120 19622
1873 1 4 . 1 1 92 92 ALA N N 92 121.790 121.790 120.799 0.991 19622
1874 1 4 . 1 1 92 92 ALA HA H 92 4.212 4.212 3.923 0.289 19622
1875 1 4 . 1 1 92 92 ALA C C 92 179.762 179.762 179.286 0.476 19622
1876 1 4 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.492 -0.292 19622
1877 1 4 . 1 1 92 92 ALA CB C 92 16.917 16.917 17.854 -0.937 19622
1878 1 4 . 1 1 92 92 ALA H H 92 7.628 7.628 7.816 -0.188 19622
1879 1 4 . 1 1 93 93 LEU N N 93 119.699 119.699 116.203 3.496 19622
1880 1 4 . 1 1 93 93 LEU HA H 93 3.263 3.263 3.994 -0.731 19622
1881 1 4 . 1 1 93 93 LEU C C 93 177.803 177.803 177.981 -0.178 19622
1882 1 4 . 1 1 93 93 LEU CA C 93 57.031 57.031 56.854 0.177 19622
1883 1 4 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.587 -0.277 19622
1884 1 4 . 1 1 93 93 LEU H H 93 7.694 7.694 7.256 0.438 19622
1885 1 4 . 1 1 94 94 TYR N N 94 116.307 116.307 119.555 -3.248 19622
1886 1 4 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.341 0.033 19622
1887 1 4 . 1 1 94 94 TYR C C 94 176.548 176.548 176.721 -0.173 19622
1888 1 4 . 1 1 94 94 TYR CA C 94 58.822 58.822 60.872 -2.050 19622
1889 1 4 . 1 1 94 94 TYR CB C 94 38.500 38.500 39.144 -0.644 19622
1890 1 4 . 1 1 94 94 TYR H H 94 7.343 7.343 7.656 -0.313 19622
1891 1 4 . 1 1 95 95 GLU N N 95 120.194 120.194 114.832 5.362 19622
1892 1 4 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.223 -0.062 19622
1893 1 4 . 1 1 95 95 GLU C C 95 176.704 176.704 175.055 1.649 19622
1894 1 4 . 1 1 95 95 GLU CA C 95 57.795 57.795 56.410 1.385 19622
1895 1 4 . 1 1 95 95 GLU CB C 95 30.121 30.121 30.929 -0.808 19622
1896 1 4 . 1 1 95 95 GLU H H 95 7.707 7.707 7.689 0.018 19622
1897 1 4 . 1 1 96 96 ASN N N 96 118.074 118.074 118.624 -0.550 19622
1898 1 4 . 1 1 96 96 ASN HA H 96 4.580 4.580 4.901 -0.321 19622
1899 1 4 . 1 1 96 96 ASN C C 96 176.061 176.061 175.585 0.476 19622
1900 1 4 . 1 1 96 96 ASN CA C 96 54.092 54.092 52.683 1.409 19622
1901 1 4 . 1 1 96 96 ASN CB C 96 38.864 38.864 38.776 0.088 19622
1902 1 4 . 1 1 96 96 ASN H H 96 8.195 8.195 8.137 0.058 19622
1903 1 4 . 1 1 97 97 LEU N N 97 120.760 120.760 122.656 -1.896 19622
1904 1 4 . 1 1 97 97 LEU HA H 97 4.142 4.142 3.721 0.421 19622
1905 1 4 . 1 1 97 97 LEU C C 97 177.094 177.094 176.685 0.409 19622
1906 1 4 . 1 1 97 97 LEU CA C 97 55.429 55.429 56.049 -0.620 19622
1907 1 4 . 1 1 97 97 LEU CB C 97 42.562 42.562 41.764 0.798 19622
1908 1 4 . 1 1 97 97 LEU H H 97 7.912 7.912 8.451 -0.539 19622
1909 1 4 . 1 1 98 98 TYR N N 98 118.892 118.892 115.270 3.622 19622
1910 1 4 . 1 1 98 98 TYR HA H 98 4.520 4.520 4.089 0.431 19622
1911 1 4 . 1 1 98 98 TYR C C 98 175.296 175.296 175.749 -0.453 19622
1912 1 4 . 1 1 98 98 TYR CA C 98 57.640 57.640 59.031 -1.391 19622
1913 1 4 . 1 1 98 98 TYR CB C 98 38.660 38.660 36.902 1.758 19622
1914 1 4 . 1 1 98 98 TYR H H 98 7.898 7.898 7.906 -0.008 19622
1915 1 4 . 1 1 99 99 PHE N N 99 121.225 121.225 118.285 2.940 19622
1916 1 4 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.342 0.136 19622
1917 1 4 . 1 1 99 99 PHE C C 99 174.558 174.558 176.069 -1.511 19622
1918 1 4 . 1 1 99 99 PHE CA C 99 58.151 58.151 59.531 -1.380 19622
1919 1 4 . 1 1 99 99 PHE CB C 99 39.561 39.561 39.025 0.536 19622
1920 1 4 . 1 1 99 99 PHE H H 99 7.931 7.931 7.460 0.471 19622
1921 1 5 . 1 1 1 1 TYR N N 1 121.776 121.776 119.221 2.555 19622
1922 1 5 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.503 0.397 19622
1923 1 5 . 1 1 1 1 TYR C C 1 174.477 174.477 175.857 -1.380 19622
1924 1 5 . 1 1 1 1 TYR CA C 1 57.340 57.340 58.437 -1.097 19622
1925 1 5 . 1 1 1 1 TYR CB C 1 40.147 40.147 39.408 0.739 19622
1926 1 5 . 1 1 1 1 TYR H H 1 8.204 8.204 8.816 -0.612 19622
1927 1 5 . 1 1 2 2 LYS N N 2 122.911 122.911 124.625 -1.714 19622
1928 1 5 . 1 1 2 2 LYS HA H 2 4.719 4.719 5.194 -0.475 19622
1929 1 5 . 1 1 2 2 LYS C C 2 176.369 176.369 175.862 0.507 19622
1930 1 5 . 1 1 2 2 LYS CA C 2 55.408 55.408 55.862 -0.454 19622
1931 1 5 . 1 1 2 2 LYS CB C 2 32.636 32.636 32.962 -0.325 19622
1932 1 5 . 1 1 2 2 LYS H H 2 9.291 9.291 8.738 0.553 19622
1933 1 5 . 1 1 3 3 VAL N N 3 128.453 128.453 126.157 2.296 19622
1934 1 5 . 1 1 3 3 VAL HA H 3 4.974 4.974 5.053 -0.079 19622
1935 1 5 . 1 1 3 3 VAL C C 3 175.283 175.283 174.540 0.743 19622
1936 1 5 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.492 0.909 19622
1937 1 5 . 1 1 3 3 VAL CB C 3 33.332 33.332 34.840 -1.508 19622
1938 1 5 . 1 1 3 3 VAL H H 3 9.268 9.268 8.526 0.742 19622
1939 1 5 . 1 1 4 4 THR N N 4 126.298 126.298 126.408 -0.110 19622
1940 1 5 . 1 1 4 4 THR HA H 4 4.316 4.316 4.588 -0.272 19622
1941 1 5 . 1 1 4 4 THR C C 4 172.907 172.907 174.071 -1.164 19622
1942 1 5 . 1 1 4 4 THR CA C 4 63.342 63.342 62.519 0.823 19622
1943 1 5 . 1 1 4 4 THR CB C 4 69.170 69.170 68.778 0.393 19622
1944 1 5 . 1 1 4 4 THR H H 4 9.623 9.623 9.119 0.504 19622
1945 1 5 . 1 1 5 5 LEU N N 5 130.058 130.058 130.665 -0.607 19622
1946 1 5 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.796 0.377 19622
1947 1 5 . 1 1 5 5 LEU C C 5 174.969 174.969 176.275 -1.306 19622
1948 1 5 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.586 -1.865 19622
1949 1 5 . 1 1 5 5 LEU CB C 5 41.530 41.530 43.045 -1.515 19622
1950 1 5 . 1 1 5 5 LEU H H 5 9.554 9.554 9.372 0.182 19622
1951 1 5 . 1 1 6 6 LYS N N 6 124.882 124.882 125.625 -0.743 19622
1952 1 5 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.639 0.245 19622
1953 1 5 . 1 1 6 6 LYS C C 6 175.730 175.730 176.060 -0.330 19622
1954 1 5 . 1 1 6 6 LYS CA C 6 55.335 55.335 55.270 0.065 19622
1955 1 5 . 1 1 6 6 LYS CB C 6 31.006 31.006 31.779 -0.773 19622
1956 1 5 . 1 1 6 6 LYS H H 6 9.072 9.072 9.010 0.062 19622
1957 1 5 . 1 1 7 7 THR N N 7 117.987 117.987 116.720 1.267 19622
1958 1 5 . 1 1 7 7 THR HA H 7 5.708 5.708 5.271 0.437 19622
1959 1 5 . 1 1 7 7 THR CA C 7 59.875 59.875 58.325 1.550 19622
1960 1 5 . 1 1 7 7 THR CB C 7 69.582 69.582 69.788 -0.206 19622
1961 1 5 . 1 1 7 7 THR H H 7 7.750 7.750 8.725 -0.975 19622
1962 1 5 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.334 -0.000 19622
1963 1 5 . 1 1 8 8 PRO C C 8 177.136 177.136 176.465 0.671 19622
1964 1 5 . 1 1 8 8 PRO CA C 8 64.777 64.777 64.892 -0.115 19622
1965 1 5 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.323 0.411 19622
1966 1 5 . 1 1 9 9 SER N N 9 109.200 109.200 111.375 -2.175 19622
1967 1 5 . 1 1 9 9 SER HA H 9 4.629 4.629 4.557 0.072 19622
1968 1 5 . 1 1 9 9 SER C C 9 173.571 173.571 174.204 -0.633 19622
1969 1 5 . 1 1 9 9 SER CA C 9 57.371 57.371 58.257 -0.886 19622
1970 1 5 . 1 1 9 9 SER CB C 9 63.513 63.513 64.607 -1.094 19622
1971 1 5 . 1 1 9 9 SER H H 9 7.739 7.739 7.645 0.094 19622
1972 1 5 . 1 1 10 10 GLY N N 10 110.027 110.027 110.398 -0.371 19622
1973 1 5 . 1 1 10 10 GLY C C 10 174.096 174.096 171.765 2.331 19622
1974 1 5 . 1 1 10 10 GLY CA C 10 43.987 43.987 44.562 -0.575 19622
1975 1 5 . 1 1 10 10 GLY H H 10 7.526 7.526 7.743 -0.217 19622
1976 1 5 . 1 1 11 11 ASP N N 11 123.154 123.154 118.826 4.328 19622
1977 1 5 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.531 0.139 19622
1978 1 5 . 1 1 11 11 ASP C C 11 176.750 176.750 175.689 1.061 19622
1979 1 5 . 1 1 11 11 ASP CA C 11 53.710 53.710 53.024 0.686 19622
1980 1 5 . 1 1 11 11 ASP CB C 11 41.085 41.085 42.485 -1.400 19622
1981 1 5 . 1 1 11 11 ASP H H 11 8.808 8.808 8.383 0.425 19622
1982 1 5 . 1 1 12 12 LYS N N 12 123.685 123.685 122.255 1.430 19622
1983 1 5 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.643 0.035 19622
1984 1 5 . 1 1 12 12 LYS C C 12 174.777 174.777 175.362 -0.585 19622
1985 1 5 . 1 1 12 12 LYS CA C 12 55.024 55.024 54.990 0.034 19622
1986 1 5 . 1 1 12 12 LYS CB C 12 36.206 36.206 35.964 0.242 19622
1987 1 5 . 1 1 12 12 LYS H H 12 9.108 9.108 8.826 0.282 19622
1988 1 5 . 1 1 13 13 THR N N 13 122.136 122.136 123.184 -1.048 19622
1989 1 5 . 1 1 13 13 THR HA H 13 5.314 5.314 4.780 0.534 19622
1990 1 5 . 1 1 13 13 THR C C 13 174.082 174.082 174.746 -0.664 19622
1991 1 5 . 1 1 13 13 THR CA C 13 62.397 62.397 63.224 -0.827 19622
1992 1 5 . 1 1 13 13 THR CB C 13 69.809 69.809 68.787 1.022 19622
1993 1 5 . 1 1 13 13 THR H H 13 8.935 8.935 8.539 0.396 19622
1994 1 5 . 1 1 14 14 ILE N N 14 122.466 122.466 121.284 1.182 19622
1995 1 5 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.707 0.121 19622
1996 1 5 . 1 1 14 14 ILE C C 14 174.083 174.083 174.164 -0.081 19622
1997 1 5 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.715 -0.259 19622
1998 1 5 . 1 1 14 14 ILE CB C 14 41.510 41.510 41.481 0.029 19622
1999 1 5 . 1 1 14 14 ILE H H 14 9.113 9.113 8.904 0.209 19622
2000 1 5 . 1 1 15 15 GLU N N 15 121.208 121.208 121.696 -0.488 19622
2001 1 5 . 1 1 15 15 GLU HA H 15 4.928 4.928 5.059 -0.131 19622
2002 1 5 . 1 1 15 15 GLU C C 15 175.553 175.553 175.444 0.109 19622
2003 1 5 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.289 -0.110 19622
2004 1 5 . 1 1 15 15 GLU CB C 15 31.093 31.093 30.132 0.961 19622
2005 1 5 . 1 1 15 15 GLU H H 15 8.510 8.510 8.487 0.023 19622
2006 1 5 . 1 1 16 16 CYS N N 16 125.232 125.232 124.714 0.518 19622
2007 1 5 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.858 0.228 19622
2008 1 5 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.113 0.548 19622
2009 1 5 . 1 1 16 16 CYS CB C 16 31.298 31.298 28.607 2.691 19622
2010 1 5 . 1 1 16 16 CYS H H 16 9.306 9.306 9.056 0.250 19622
2011 1 5 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.334 0.201 19622
2012 1 5 . 1 1 17 17 PRO C C 17 175.733 175.733 176.725 -0.992 19622
2013 1 5 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.485 -0.595 19622
2014 1 5 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.211 0.931 19622
2015 1 5 . 1 1 18 18 ALA N N 18 120.277 120.277 122.169 -1.892 19622
2016 1 5 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.272 -0.020 19622
2017 1 5 . 1 1 18 18 ALA C C 18 177.177 177.177 176.858 0.319 19622
2018 1 5 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.417 0.535 19622
2019 1 5 . 1 1 18 18 ALA CB C 18 19.449 19.449 18.512 0.937 19622
2020 1 5 . 1 1 18 18 ALA H H 18 8.622 8.622 8.523 0.099 19622
2021 1 5 . 1 1 19 19 ASP N N 19 112.081 112.081 110.310 1.771 19622
2022 1 5 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.325 -0.202 19622
2023 1 5 . 1 1 19 19 ASP C C 19 175.263 175.263 175.270 -0.007 19622
2024 1 5 . 1 1 19 19 ASP CA C 19 52.705 52.705 53.168 -0.463 19622
2025 1 5 . 1 1 19 19 ASP CB C 19 39.747 39.747 42.157 -2.410 19622
2026 1 5 . 1 1 19 19 ASP H H 19 7.950 7.950 7.638 0.312 19622
2027 1 5 . 1 1 20 20 THR N N 20 117.760 117.760 117.283 0.477 19622
2028 1 5 . 1 1 20 20 THR HA H 20 4.555 4.555 4.403 0.152 19622
2029 1 5 . 1 1 20 20 THR C C 20 171.521 171.521 173.238 -1.717 19622
2030 1 5 . 1 1 20 20 THR CA C 20 61.849 61.849 61.252 0.597 19622
2031 1 5 . 1 1 20 20 THR CB C 20 72.498 72.498 70.794 1.704 19622
2032 1 5 . 1 1 20 20 THR H H 20 7.550 7.550 7.147 0.403 19622
2033 1 5 . 1 1 21 21 TYR N N 21 124.181 124.181 122.759 1.422 19622
2034 1 5 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.773 -0.083 19622
2035 1 5 . 1 1 21 21 TYR C C 21 171.626 171.626 176.776 -5.150 19622
2036 1 5 . 1 1 21 21 TYR CA C 21 55.120 55.120 57.464 -2.344 19622
2037 1 5 . 1 1 21 21 TYR CB C 21 38.570 38.570 37.976 0.594 19622
2038 1 5 . 1 1 21 21 TYR H H 21 8.594 8.594 8.013 0.581 19622
2039 1 5 . 1 1 22 22 ILE N N 22 120.076 120.076 123.492 -3.416 19622
2040 1 5 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.687 0.028 19622
2041 1 5 . 1 1 22 22 ILE C C 22 177.421 177.421 178.245 -0.824 19622
2042 1 5 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.729 -0.288 19622
2043 1 5 . 1 1 22 22 ILE CB C 22 38.297 38.297 38.036 0.261 19622
2044 1 5 . 1 1 22 22 ILE H H 22 9.140 9.140 8.793 0.347 19622
2045 1 5 . 1 1 23 23 LEU N N 23 115.378 115.378 116.986 -1.608 19622
2046 1 5 . 1 1 23 23 LEU HA H 23 3.869 3.869 3.914 -0.045 19622
2047 1 5 . 1 1 23 23 LEU C C 23 176.741 176.741 178.239 -1.498 19622
2048 1 5 . 1 1 23 23 LEU CA C 23 57.892 57.892 58.235 -0.343 19622
2049 1 5 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.501 2.128 19622
2050 1 5 . 1 1 23 23 LEU H H 23 7.382 7.382 7.735 -0.353 19622
2051 1 5 . 1 1 24 24 ASP N N 24 116.687 116.687 120.362 -3.675 19622
2052 1 5 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.244 0.070 19622
2053 1 5 . 1 1 24 24 ASP C C 24 178.902 178.902 177.942 0.960 19622
2054 1 5 . 1 1 24 24 ASP CA C 24 57.792 57.792 57.928 -0.136 19622
2055 1 5 . 1 1 24 24 ASP CB C 24 39.971 39.971 40.563 -0.592 19622
2056 1 5 . 1 1 24 24 ASP H H 24 6.747 6.747 8.196 -1.449 19622
2057 1 5 . 1 1 25 25 ALA N N 25 122.742 122.742 122.205 0.537 19622
2058 1 5 . 1 1 25 25 ALA HA H 25 4.231 4.231 4.034 0.197 19622
2059 1 5 . 1 1 25 25 ALA C C 25 180.559 180.559 179.380 1.179 19622
2060 1 5 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.525 0.365 19622
2061 1 5 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.366 0.826 19622
2062 1 5 . 1 1 25 25 ALA H H 25 8.045 8.045 7.586 0.459 19622
2063 1 5 . 1 1 26 26 ALA N N 26 122.264 122.264 122.743 -0.479 19622
2064 1 5 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.949 -0.004 19622
2065 1 5 . 1 1 26 26 ALA C C 26 179.219 179.219 179.335 -0.116 19622
2066 1 5 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.403 0.022 19622
2067 1 5 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.635 0.060 19622
2068 1 5 . 1 1 26 26 ALA H H 26 8.701 8.701 8.437 0.264 19622
2069 1 5 . 1 1 27 27 GLU N N 27 119.508 119.508 117.188 2.320 19622
2070 1 5 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.149 0.154 19622
2071 1 5 . 1 1 27 27 GLU C C 27 169.931 169.931 178.767 -8.836 19622
2072 1 5 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.326 1.217 19622
2073 1 5 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.323 0.135 19622
2074 1 5 . 1 1 27 27 GLU H H 27 8.567 8.567 8.358 0.209 19622
2075 1 5 . 1 1 28 28 GLU N N 28 122.658 122.658 120.379 2.279 19622
2076 1 5 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.084 0.021 19622
2077 1 5 . 1 1 28 28 GLU C C 28 177.634 177.634 177.998 -0.364 19622
2078 1 5 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.721 0.543 19622
2079 1 5 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.262 -0.207 19622
2080 1 5 . 1 1 28 28 GLU H H 28 8.164 8.164 7.715 0.449 19622
2081 1 5 . 1 1 29 29 ALA N N 29 119.216 119.216 118.832 0.384 19622
2082 1 5 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.142 0.334 19622
2083 1 5 . 1 1 29 29 ALA C C 29 177.282 177.282 177.503 -0.221 19622
2084 1 5 . 1 1 29 29 ALA CA C 29 52.052 52.052 53.152 -1.100 19622
2085 1 5 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.579 -0.464 19622
2086 1 5 . 1 1 29 29 ALA H H 29 7.433 7.433 8.035 -0.602 19622
2087 1 5 . 1 1 30 30 GLY N N 30 106.654 106.654 104.237 2.417 19622
2088 1 5 . 1 1 30 30 GLY C C 30 174.629 174.629 174.702 -0.073 19622
2089 1 5 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.559 0.832 19622
2090 1 5 . 1 1 30 30 GLY H H 30 7.932 7.932 7.537 0.395 19622
2091 1 5 . 1 1 31 31 LEU N N 31 121.203 121.203 120.337 0.866 19622
2092 1 5 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.395 0.061 19622
2093 1 5 . 1 1 31 31 LEU C C 31 175.406 175.406 177.488 -2.082 19622
2094 1 5 . 1 1 31 31 LEU CA C 31 54.656 54.656 54.529 0.127 19622
2095 1 5 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.232 0.397 19622
2096 1 5 . 1 1 31 31 LEU H H 31 8.078 8.078 7.438 0.640 19622
2097 1 5 . 1 1 32 32 ASP N N 32 121.884 121.884 123.602 -1.718 19622
2098 1 5 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.676 0.233 19622
2099 1 5 . 1 1 32 32 ASP C C 32 174.882 174.882 174.967 -0.085 19622
2100 1 5 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.437 -0.318 19622
2101 1 5 . 1 1 32 32 ASP CB C 32 41.068 41.068 39.938 1.130 19622
2102 1 5 . 1 1 32 32 ASP H H 32 8.418 8.418 8.633 -0.215 19622
2103 1 5 . 1 1 33 33 LEU N N 33 124.734 124.734 121.154 3.580 19622
2104 1 5 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.704 -0.039 19622
2105 1 5 . 1 1 33 33 LEU CA C 33 51.940 51.940 52.648 -0.708 19622
2106 1 5 . 1 1 33 33 LEU CB C 33 42.403 42.403 44.075 -1.672 19622
2107 1 5 . 1 1 33 33 LEU H H 33 8.088 8.088 7.628 0.460 19622
2108 1 5 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.337 0.035 19622
2109 1 5 . 1 1 34 34 PRO CA C 34 62.760 62.760 62.915 -0.155 19622
2110 1 5 . 1 1 34 34 PRO CB C 34 32.298 32.298 31.717 0.581 19622
2111 1 5 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.465 0.264 19622
2112 1 5 . 1 1 46 46 ALA C C 46 178.058 178.058 177.358 0.700 19622
2113 1 5 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.275 1.929 19622
2114 1 5 . 1 1 46 46 ALA CB C 46 18.088 18.088 19.486 -1.398 19622
2115 1 5 . 1 1 47 47 GLY N N 47 112.650 112.650 112.017 0.633 19622
2116 1 5 . 1 1 47 47 GLY C C 47 178.913 178.913 172.792 6.121 19622
2117 1 5 . 1 1 47 47 GLY CA C 47 44.047 44.047 44.621 -0.574 19622
2118 1 5 . 1 1 47 47 GLY H H 47 9.815 9.815 8.325 1.490 19622
2119 1 5 . 1 1 48 48 LYS N N 48 120.076 120.076 118.999 1.077 19622
2120 1 5 . 1 1 48 48 LYS HA H 48 4.936 4.936 5.042 -0.106 19622
2121 1 5 . 1 1 48 48 LYS C C 48 175.432 175.432 175.660 -0.228 19622
2122 1 5 . 1 1 48 48 LYS CA C 48 54.866 54.866 53.712 1.154 19622
2123 1 5 . 1 1 48 48 LYS CB C 48 36.588 36.588 35.304 1.284 19622
2124 1 5 . 1 1 48 48 LYS H H 48 9.129 9.129 8.946 0.183 19622
2125 1 5 . 1 1 49 49 VAL N N 49 127.642 127.642 126.166 1.476 19622
2126 1 5 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.875 0.065 19622
2127 1 5 . 1 1 49 49 VAL C C 49 175.133 175.133 175.220 -0.087 19622
2128 1 5 . 1 1 49 49 VAL CA C 49 63.365 63.365 63.678 -0.313 19622
2129 1 5 . 1 1 49 49 VAL CB C 49 31.981 31.981 32.159 -0.178 19622
2130 1 5 . 1 1 49 49 VAL H H 49 9.523 9.523 8.085 1.438 19622
2131 1 5 . 1 1 50 50 ALA N N 50 102.132 102.132 131.553 -29.421 19622
2132 1 5 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.281 0.152 19622
2133 1 5 . 1 1 50 50 ALA C C 50 177.108 177.108 176.913 0.195 19622
2134 1 5 . 1 1 50 50 ALA CA C 50 52.234 52.234 53.090 -0.856 19622
2135 1 5 . 1 1 50 50 ALA CB C 50 19.925 19.925 19.662 0.263 19622
2136 1 5 . 1 1 50 50 ALA H H 50 8.792 8.792 8.745 0.047 19622
2137 1 5 . 1 1 51 51 ALA N N 51 119.480 119.480 118.686 0.794 19622
2138 1 5 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.665 -0.165 19622
2139 1 5 . 1 1 51 51 ALA C C 51 176.563 176.563 176.640 -0.077 19622
2140 1 5 . 1 1 51 51 ALA CA C 51 52.396 52.396 50.726 1.670 19622
2141 1 5 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.589 1.119 19622
2142 1 5 . 1 1 51 51 ALA H H 51 7.745 7.745 8.092 -0.347 19622
2143 1 5 . 1 1 52 52 GLY N N 52 108.710 108.710 107.816 0.894 19622
2144 1 5 . 1 1 52 52 GLY C C 52 172.018 172.018 173.610 -1.592 19622
2145 1 5 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.347 -1.318 19622
2146 1 5 . 1 1 52 52 GLY H H 52 8.516 8.516 8.526 -0.010 19622
2147 1 5 . 1 1 53 53 THR N N 53 106.654 106.654 110.775 -4.121 19622
2148 1 5 . 1 1 53 53 THR HA H 53 4.707 4.707 4.572 0.135 19622
2149 1 5 . 1 1 53 53 THR C C 53 173.198 173.198 172.786 0.412 19622
2150 1 5 . 1 1 53 53 THR CA C 53 59.740 59.740 60.072 -0.332 19622
2151 1 5 . 1 1 53 53 THR CB C 53 72.296 72.296 71.947 0.349 19622
2152 1 5 . 1 1 53 53 THR H H 53 7.932 7.932 7.987 -0.055 19622
2153 1 5 . 1 1 54 54 VAL N N 54 110.217 110.217 113.991 -3.774 19622
2154 1 5 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.432 0.598 19622
2155 1 5 . 1 1 54 54 VAL C C 54 174.681 174.681 174.060 0.621 19622
2156 1 5 . 1 1 54 54 VAL CA C 54 58.343 58.343 59.559 -1.216 19622
2157 1 5 . 1 1 54 54 VAL CB C 54 36.031 36.031 35.533 0.498 19622
2158 1 5 . 1 1 54 54 VAL H H 54 8.211 8.211 8.157 0.054 19622
2159 1 5 . 1 1 55 55 ASP N N 55 121.085 121.085 120.987 0.098 19622
2160 1 5 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.734 0.285 19622
2161 1 5 . 1 1 55 55 ASP C C 55 175.900 175.900 174.855 1.045 19622
2162 1 5 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.757 -0.578 19622
2163 1 5 . 1 1 55 55 ASP CB C 55 43.430 43.430 40.571 2.859 19622
2164 1 5 . 1 1 55 55 ASP H H 55 9.535 9.535 8.692 0.843 19622
2165 1 5 . 1 1 56 56 GLN N N 56 124.248 124.248 124.227 0.021 19622
2166 1 5 . 1 1 56 56 GLN HA H 56 5.532 5.532 4.666 0.866 19622
2167 1 5 . 1 1 56 56 GLN C C 56 176.233 176.233 175.281 0.952 19622
2168 1 5 . 1 1 56 56 GLN CA C 56 53.067 53.067 54.597 -1.530 19622
2169 1 5 . 1 1 56 56 GLN CB C 56 28.423 28.423 28.871 -0.448 19622
2170 1 5 . 1 1 56 56 GLN H H 56 9.270 9.270 7.770 1.500 19622
2171 1 5 . 1 1 57 57 SER N N 57 118.299 118.299 118.193 0.106 19622
2172 1 5 . 1 1 57 57 SER HA H 57 4.234 4.234 4.145 0.089 19622
2173 1 5 . 1 1 57 57 SER C C 57 175.154 175.154 174.828 0.326 19622
2174 1 5 . 1 1 57 57 SER CA C 57 62.676 62.676 61.150 1.526 19622
2175 1 5 . 1 1 57 57 SER CB C 57 63.213 63.213 63.336 -0.123 19622
2176 1 5 . 1 1 57 57 SER H H 57 8.491 8.491 8.485 0.006 19622
2177 1 5 . 1 1 58 58 ASP N N 58 119.055 119.055 118.051 1.004 19622
2178 1 5 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.849 -0.130 19622
2179 1 5 . 1 1 58 58 ASP C C 58 176.196 176.196 174.701 1.495 19622
2180 1 5 . 1 1 58 58 ASP CA C 58 55.408 55.408 53.735 1.673 19622
2181 1 5 . 1 1 58 58 ASP CB C 58 40.293 40.293 42.512 -2.219 19622
2182 1 5 . 1 1 58 58 ASP H H 58 8.885 8.885 7.998 0.887 19622
2183 1 5 . 1 1 59 59 GLN N N 59 122.287 122.287 122.401 -0.114 19622
2184 1 5 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.640 -0.425 19622
2185 1 5 . 1 1 59 59 GLN C C 59 174.169 174.169 175.724 -1.555 19622
2186 1 5 . 1 1 59 59 GLN CA C 59 55.943 55.943 54.712 1.232 19622
2187 1 5 . 1 1 59 59 GLN CB C 59 29.290 29.290 30.113 -0.823 19622
2188 1 5 . 1 1 59 59 GLN H H 59 8.394 8.394 8.391 0.003 19622
2189 1 5 . 1 1 60 60 SER N N 60 113.844 113.844 115.093 -1.249 19622
2190 1 5 . 1 1 60 60 SER HA H 60 4.729 4.729 4.422 0.307 19622
2191 1 5 . 1 1 60 60 SER C C 60 173.467 173.467 175.069 -1.602 19622
2192 1 5 . 1 1 60 60 SER CA C 60 58.201 58.201 61.036 -2.835 19622
2193 1 5 . 1 1 60 60 SER CB C 60 65.221 65.221 63.548 1.673 19622
2194 1 5 . 1 1 60 60 SER H H 60 8.871 8.871 8.603 0.268 19622
2195 1 5 . 1 1 61 61 PHE N N 61 123.610 123.610 118.580 5.030 19622
2196 1 5 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.685 -0.288 19622
2197 1 5 . 1 1 61 61 PHE C C 61 176.268 176.268 174.063 2.205 19622
2198 1 5 . 1 1 61 61 PHE CA C 61 60.986 60.986 57.023 3.963 19622
2199 1 5 . 1 1 61 61 PHE CB C 61 43.362 43.362 41.147 2.215 19622
2200 1 5 . 1 1 61 61 PHE H H 61 7.691 7.691 7.949 -0.258 19622
2201 1 5 . 1 1 62 62 LEU N N 62 121.203 121.203 121.982 -0.779 19622
2202 1 5 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.493 -0.147 19622
2203 1 5 . 1 1 62 62 LEU C C 62 177.920 177.920 174.638 3.282 19622
2204 1 5 . 1 1 62 62 LEU CA C 62 54.152 54.152 54.252 -0.100 19622
2205 1 5 . 1 1 62 62 LEU CB C 62 42.638 42.638 44.331 -1.693 19622
2206 1 5 . 1 1 62 62 LEU H H 62 10.705 10.705 7.491 3.214 19622
2207 1 5 . 1 1 63 63 ASP N N 63 121.418 121.418 123.356 -1.938 19622
2208 1 5 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.951 -0.271 19622
2209 1 5 . 1 1 63 63 ASP C C 63 176.479 176.479 176.314 0.165 19622
2210 1 5 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.208 -1.470 19622
2211 1 5 . 1 1 63 63 ASP CB C 63 41.706 41.706 44.548 -2.842 19622
2212 1 5 . 1 1 63 63 ASP H H 63 8.672 8.672 8.730 -0.058 19622
2213 1 5 . 1 1 64 64 ASP N N 64 117.220 117.220 120.514 -3.294 19622
2214 1 5 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.226 0.057 19622
2215 1 5 . 1 1 64 64 ASP C C 64 179.309 179.309 178.033 1.276 19622
2216 1 5 . 1 1 64 64 ASP CA C 64 57.917 57.917 58.166 -0.249 19622
2217 1 5 . 1 1 64 64 ASP CB C 64 40.862 40.862 40.981 -0.119 19622
2218 1 5 . 1 1 64 64 ASP H H 64 8.282 8.282 8.810 -0.528 19622
2219 1 5 . 1 1 65 65 ALA N N 65 125.398 125.398 121.524 3.874 19622
2220 1 5 . 1 1 65 65 ALA HA H 65 4.137 4.137 4.033 0.104 19622
2221 1 5 . 1 1 65 65 ALA C C 65 180.917 180.917 179.906 1.011 19622
2222 1 5 . 1 1 65 65 ALA CA C 65 54.858 54.858 55.037 -0.179 19622
2223 1 5 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.189 -0.440 19622
2224 1 5 . 1 1 65 65 ALA H H 65 8.215 8.215 8.193 0.022 19622
2225 1 5 . 1 1 66 66 GLN N N 66 119.386 119.386 117.935 1.451 19622
2226 1 5 . 1 1 66 66 GLN HA H 66 4.315 4.315 4.105 0.210 19622
2227 1 5 . 1 1 66 66 GLN C C 66 180.587 180.587 178.651 1.936 19622
2228 1 5 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.972 0.079 19622
2229 1 5 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.518 0.209 19622
2230 1 5 . 1 1 66 66 GLN H H 66 8.821 8.821 7.996 0.825 19622
2231 1 5 . 1 1 67 67 MET N N 67 118.975 118.975 120.725 -1.750 19622
2232 1 5 . 1 1 67 67 MET HA H 67 4.432 4.432 4.504 -0.072 19622
2233 1 5 . 1 1 67 67 MET C C 67 181.267 181.267 178.332 2.935 19622
2234 1 5 . 1 1 67 67 MET CA C 67 59.988 59.988 58.213 1.775 19622
2235 1 5 . 1 1 67 67 MET CB C 67 33.535 33.535 32.954 0.581 19622
2236 1 5 . 1 1 67 67 MET H H 67 8.504 8.504 8.152 0.352 19622
2237 1 5 . 1 1 68 68 GLY N N 68 110.904 110.904 106.277 4.627 19622
2238 1 5 . 1 1 68 68 GLY C C 68 174.778 174.778 175.715 -0.937 19622
2239 1 5 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.498 0.188 19622
2240 1 5 . 1 1 68 68 GLY H H 68 8.697 8.697 8.472 0.225 19622
2241 1 5 . 1 1 69 69 ASN N N 69 118.203 118.203 118.238 -0.035 19622
2242 1 5 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.520 0.372 19622
2243 1 5 . 1 1 69 69 ASN C C 69 174.610 174.610 174.926 -0.316 19622
2244 1 5 . 1 1 69 69 ASN CA C 69 53.121 53.121 52.692 0.429 19622
2245 1 5 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.732 0.663 19622
2246 1 5 . 1 1 69 69 ASN H H 69 7.536 7.536 7.589 -0.053 19622
2247 1 5 . 1 1 70 70 GLY N N 70 104.994 104.994 106.125 -1.131 19622
2248 1 5 . 1 1 70 70 GLY C C 70 174.423 174.423 173.665 0.758 19622
2249 1 5 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.779 0.399 19622
2250 1 5 . 1 1 70 70 GLY H H 70 7.725 7.725 7.439 0.286 19622
2251 1 5 . 1 1 71 71 PHE N N 71 117.987 117.987 119.255 -1.268 19622
2252 1 5 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.874 0.167 19622
2253 1 5 . 1 1 71 71 PHE C C 71 175.618 175.618 174.437 1.181 19622
2254 1 5 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.572 4.918 19622
2255 1 5 . 1 1 71 71 PHE CB C 71 39.860 39.860 41.122 -1.262 19622
2256 1 5 . 1 1 71 71 PHE H H 71 7.750 7.750 7.780 -0.030 19622
2257 1 5 . 1 1 72 72 VAL N N 72 117.069 117.069 115.969 1.100 19622
2258 1 5 . 1 1 72 72 VAL HA H 72 5.073 5.073 4.886 0.187 19622
2259 1 5 . 1 1 72 72 VAL CA C 72 57.273 57.273 59.769 -2.496 19622
2260 1 5 . 1 1 72 72 VAL CB C 72 34.219 34.219 35.577 -1.358 19622
2261 1 5 . 1 1 72 72 VAL H H 72 8.578 8.578 9.198 -0.620 19622
2262 1 5 . 1 1 76 76 VAL HA H 76 2.939 2.939 4.291 -1.352 19622
2263 1 5 . 1 1 76 76 VAL C C 76 172.825 172.825 173.823 -0.998 19622
2264 1 5 . 1 1 76 76 VAL CA C 76 59.273 59.273 60.551 -1.278 19622
2265 1 5 . 1 1 76 76 VAL CB C 76 31.330 31.330 31.237 0.093 19622
2266 1 5 . 1 1 77 77 ALA N N 77 120.939 120.939 123.441 -2.502 19622
2267 1 5 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.113 0.028 19622
2268 1 5 . 1 1 77 77 ALA C C 77 175.744 175.744 175.240 0.504 19622
2269 1 5 . 1 1 77 77 ALA CA C 77 49.687 49.687 51.057 -1.370 19622
2270 1 5 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.267 0.072 19622
2271 1 5 . 1 1 77 77 ALA H H 77 6.318 6.318 7.433 -1.115 19622
2272 1 5 . 1 1 78 78 TYR N N 78 122.466 122.466 117.011 5.455 19622
2273 1 5 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.033 0.347 19622
2274 1 5 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.353 0.043 19622
2275 1 5 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.376 0.284 19622
2276 1 5 . 1 1 78 78 TYR H H 78 9.113 9.113 7.628 1.485 19622
2277 1 5 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.480 0.264 19622
2278 1 5 . 1 1 79 79 PRO C C 79 176.434 176.434 176.643 -0.209 19622
2279 1 5 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.989 0.356 19622
2280 1 5 . 1 1 79 79 PRO CB C 79 31.141 31.141 31.894 -0.753 19622
2281 1 5 . 1 1 80 80 THR N N 80 110.712 110.712 111.536 -0.824 19622
2282 1 5 . 1 1 80 80 THR HA H 80 4.204 4.204 4.054 0.150 19622
2283 1 5 . 1 1 80 80 THR C C 80 171.733 171.733 174.375 -2.642 19622
2284 1 5 . 1 1 80 80 THR CA C 80 60.121 60.121 61.763 -1.642 19622
2285 1 5 . 1 1 80 80 THR CB C 80 68.267 68.267 69.478 -1.211 19622
2286 1 5 . 1 1 80 80 THR H H 80 8.470 8.470 8.263 0.207 19622
2287 1 5 . 1 1 81 81 SER N N 81 114.994 114.994 115.437 -0.443 19622
2288 1 5 . 1 1 81 81 SER HA H 81 3.869 3.869 4.848 -0.979 19622
2289 1 5 . 1 1 81 81 SER C C 81 172.754 172.754 172.188 0.566 19622
2290 1 5 . 1 1 81 81 SER CA C 81 57.892 57.892 57.575 0.317 19622
2291 1 5 . 1 1 81 81 SER CB C 81 66.405 66.405 65.860 0.545 19622
2292 1 5 . 1 1 81 81 SER H H 81 7.604 7.604 7.416 0.188 19622
2293 1 5 . 1 1 82 82 ASP N N 82 120.462 120.462 122.115 -1.653 19622
2294 1 5 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.891 0.273 19622
2295 1 5 . 1 1 82 82 ASP C C 82 178.987 178.987 176.383 2.604 19622
2296 1 5 . 1 1 82 82 ASP CA C 82 56.313 56.313 54.689 1.624 19622
2297 1 5 . 1 1 82 82 ASP CB C 82 39.386 39.386 41.157 -1.771 19622
2298 1 5 . 1 1 82 82 ASP H H 82 8.690 8.690 8.645 0.045 19622
2299 1 5 . 1 1 83 83 CYS N N 83 120.974 120.974 122.266 -1.292 19622
2300 1 5 . 1 1 83 83 CYS HA H 83 5.139 5.139 5.107 0.032 19622
2301 1 5 . 1 1 83 83 CYS C C 83 172.614 172.614 173.444 -0.830 19622
2302 1 5 . 1 1 83 83 CYS CA C 83 56.370 56.370 56.178 0.192 19622
2303 1 5 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.960 -0.410 19622
2304 1 5 . 1 1 83 83 CYS H H 83 8.922 8.922 8.768 0.154 19622
2305 1 5 . 1 1 84 84 THR N N 84 116.819 116.819 116.733 0.086 19622
2306 1 5 . 1 1 84 84 THR HA H 84 5.464 5.464 4.935 0.529 19622
2307 1 5 . 1 1 84 84 THR C C 84 173.477 173.477 172.767 0.710 19622
2308 1 5 . 1 1 84 84 THR CA C 84 61.171 61.171 62.346 -1.175 19622
2309 1 5 . 1 1 84 84 THR CB C 84 70.791 70.791 70.848 -0.057 19622
2310 1 5 . 1 1 84 84 THR H H 84 8.637 8.637 8.289 0.348 19622
2311 1 5 . 1 1 85 85 ILE N N 85 127.705 127.705 126.868 0.837 19622
2312 1 5 . 1 1 85 85 ILE HA H 85 4.831 4.831 4.911 -0.080 19622
2313 1 5 . 1 1 85 85 ILE C C 85 174.828 174.828 175.771 -0.943 19622
2314 1 5 . 1 1 85 85 ILE CA C 85 57.901 57.901 58.075 -0.174 19622
2315 1 5 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.355 2.212 19622
2316 1 5 . 1 1 85 85 ILE H H 85 9.433 9.433 9.165 0.268 19622
2317 1 5 . 1 1 86 86 GLN N N 86 128.424 128.424 128.287 0.137 19622
2318 1 5 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.600 0.481 19622
2319 1 5 . 1 1 86 86 GLN C C 86 176.145 176.145 177.175 -1.030 19622
2320 1 5 . 1 1 86 86 GLN CA C 86 54.821 54.821 57.252 -2.431 19622
2321 1 5 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.273 -0.585 19622
2322 1 5 . 1 1 86 86 GLN H H 86 9.533 9.533 9.103 0.430 19622
2323 1 5 . 1 1 87 87 THR N N 87 117.634 117.634 119.683 -2.049 19622
2324 1 5 . 1 1 87 87 THR HA H 87 4.600 4.600 4.528 0.072 19622
2325 1 5 . 1 1 87 87 THR C C 87 175.822 175.822 176.559 -0.737 19622
2326 1 5 . 1 1 87 87 THR CA C 87 62.643 62.643 63.467 -0.824 19622
2327 1 5 . 1 1 87 87 THR CB C 87 68.604 68.604 69.143 -0.539 19622
2328 1 5 . 1 1 87 87 THR H H 87 8.292 8.292 8.969 -0.677 19622
2329 1 5 . 1 1 88 88 HIS N N 88 117.083 117.083 119.455 -2.372 19622
2330 1 5 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.594 -0.014 19622
2331 1 5 . 1 1 88 88 HIS C C 88 177.884 177.884 175.200 2.684 19622
2332 1 5 . 1 1 88 88 HIS CA C 88 58.580 58.580 56.792 1.788 19622
2333 1 5 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.273 -1.933 19622
2334 1 5 . 1 1 88 88 HIS H H 88 9.658 9.658 8.872 0.786 19622
2335 1 5 . 1 1 89 89 GLN N N 89 112.869 112.869 117.918 -5.049 19622
2336 1 5 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.554 0.181 19622
2337 1 5 . 1 1 89 89 GLN C C 89 175.239 175.239 176.874 -1.635 19622
2338 1 5 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.775 -0.826 19622
2339 1 5 . 1 1 89 89 GLN CB C 89 29.312 29.312 27.541 1.771 19622
2340 1 5 . 1 1 89 89 GLN H H 89 7.591 7.591 7.654 -0.063 19622
2341 1 5 . 1 1 90 90 GLU N N 90 122.583 122.583 121.804 0.779 19622
2342 1 5 . 1 1 90 90 GLU HA H 90 3.588 3.588 4.046 -0.458 19622
2343 1 5 . 1 1 90 90 GLU C C 90 177.210 177.210 178.009 -0.799 19622
2344 1 5 . 1 1 90 90 GLU CA C 90 61.485 61.485 59.457 2.028 19622
2345 1 5 . 1 1 90 90 GLU CB C 90 29.147 29.147 28.180 0.967 19622
2346 1 5 . 1 1 90 90 GLU H H 90 8.327 8.327 8.510 -0.183 19622
2347 1 5 . 1 1 91 91 GLU N N 91 115.209 115.209 120.859 -5.650 19622
2348 1 5 . 1 1 91 91 GLU HA H 91 4.041 4.041 4.026 0.015 19622
2349 1 5 . 1 1 91 91 GLU C C 91 179.055 179.055 178.099 0.956 19622
2350 1 5 . 1 1 91 91 GLU CA C 91 59.647 59.647 58.558 1.089 19622
2351 1 5 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.313 -0.487 19622
2352 1 5 . 1 1 91 91 GLU H H 91 8.666 8.666 8.449 0.217 19622
2353 1 5 . 1 1 92 92 ALA N N 92 121.790 121.790 121.425 0.365 19622
2354 1 5 . 1 1 92 92 ALA HA H 92 4.212 4.212 3.863 0.349 19622
2355 1 5 . 1 1 92 92 ALA C C 92 179.762 179.762 178.908 0.854 19622
2356 1 5 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.555 -0.355 19622
2357 1 5 . 1 1 92 92 ALA CB C 92 16.917 16.917 17.976 -1.059 19622
2358 1 5 . 1 1 92 92 ALA H H 92 7.628 7.628 7.974 -0.346 19622
2359 1 5 . 1 1 93 93 LEU N N 93 119.699 119.699 115.488 4.211 19622
2360 1 5 . 1 1 93 93 LEU HA H 93 3.263 3.263 3.838 -0.575 19622
2361 1 5 . 1 1 93 93 LEU C C 93 177.803 177.803 177.324 0.479 19622
2362 1 5 . 1 1 93 93 LEU CA C 93 57.031 57.031 56.575 0.456 19622
2363 1 5 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.765 -0.455 19622
2364 1 5 . 1 1 93 93 LEU H H 93 7.694 7.694 7.477 0.217 19622
2365 1 5 . 1 1 94 94 TYR N N 94 116.307 116.307 119.077 -2.770 19622
2366 1 5 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.701 -0.327 19622
2367 1 5 . 1 1 94 94 TYR C C 94 176.548 176.548 176.616 -0.068 19622
2368 1 5 . 1 1 94 94 TYR CA C 94 58.822 58.822 60.365 -1.543 19622
2369 1 5 . 1 1 94 94 TYR CB C 94 38.500 38.500 40.300 -1.800 19622
2370 1 5 . 1 1 94 94 TYR H H 94 7.343 7.343 7.736 -0.393 19622
2371 1 5 . 1 1 95 95 GLU N N 95 120.194 120.194 115.832 4.362 19622
2372 1 5 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.146 0.015 19622
2373 1 5 . 1 1 95 95 GLU C C 95 176.704 176.704 175.923 0.781 19622
2374 1 5 . 1 1 95 95 GLU CA C 95 57.795 57.795 57.321 0.474 19622
2375 1 5 . 1 1 95 95 GLU CB C 95 30.121 30.121 31.191 -1.069 19622
2376 1 5 . 1 1 95 95 GLU H H 95 7.707 7.707 8.333 -0.626 19622
2377 1 5 . 1 1 96 96 ASN N N 96 118.074 118.074 112.918 5.156 19622
2378 1 5 . 1 1 96 96 ASN HA H 96 4.580 4.580 4.548 0.032 19622
2379 1 5 . 1 1 96 96 ASN C C 96 176.061 176.061 175.208 0.853 19622
2380 1 5 . 1 1 96 96 ASN CA C 96 54.092 54.092 53.238 0.854 19622
2381 1 5 . 1 1 96 96 ASN CB C 96 38.864 38.864 39.474 -0.611 19622
2382 1 5 . 1 1 96 96 ASN H H 96 8.195 8.195 7.901 0.294 19622
2383 1 5 . 1 1 97 97 LEU N N 97 120.760 120.760 117.146 3.614 19622
2384 1 5 . 1 1 97 97 LEU HA H 97 4.142 4.142 3.737 0.405 19622
2385 1 5 . 1 1 97 97 LEU C C 97 177.094 177.094 175.564 1.530 19622
2386 1 5 . 1 1 97 97 LEU CA C 97 55.429 55.429 56.961 -1.532 19622
2387 1 5 . 1 1 97 97 LEU CB C 97 42.562 42.562 41.315 1.248 19622
2388 1 5 . 1 1 97 97 LEU H H 97 7.912 7.912 8.226 -0.314 19622
2389 1 5 . 1 1 98 98 TYR N N 98 118.892 118.892 113.880 5.012 19622
2390 1 5 . 1 1 98 98 TYR HA H 98 4.520 4.520 3.985 0.535 19622
2391 1 5 . 1 1 98 98 TYR C C 98 175.296 175.296 175.355 -0.059 19622
2392 1 5 . 1 1 98 98 TYR CA C 98 57.640 57.640 58.659 -1.019 19622
2393 1 5 . 1 1 98 98 TYR CB C 98 38.660 38.660 35.421 3.239 19622
2394 1 5 . 1 1 98 98 TYR H H 98 7.898 7.898 7.276 0.622 19622
2395 1 5 . 1 1 99 99 PHE N N 99 121.225 121.225 116.763 4.462 19622
2396 1 5 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.579 -0.101 19622
2397 1 5 . 1 1 99 99 PHE C C 99 174.558 174.558 176.947 -2.389 19622
2398 1 5 . 1 1 99 99 PHE CA C 99 58.151 58.151 57.126 1.025 19622
2399 1 5 . 1 1 99 99 PHE CB C 99 39.561 39.561 38.966 0.595 19622
2400 1 5 . 1 1 99 99 PHE H H 99 7.931 7.931 7.093 0.838 19622
2401 1 6 . 1 1 1 1 TYR N N 1 121.776 121.776 118.393 3.383 19622
2402 1 6 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.860 0.040 19622
2403 1 6 . 1 1 1 1 TYR C C 1 174.477 174.477 175.578 -1.101 19622
2404 1 6 . 1 1 1 1 TYR CA C 1 57.340 57.340 56.827 0.513 19622
2405 1 6 . 1 1 1 1 TYR CB C 1 40.147 40.147 41.324 -1.177 19622
2406 1 6 . 1 1 1 1 TYR H H 1 8.204 8.204 8.976 -0.772 19622
2407 1 6 . 1 1 2 2 LYS N N 2 122.911 122.911 123.122 -0.211 19622
2408 1 6 . 1 1 2 2 LYS HA H 2 4.719 4.719 5.122 -0.403 19622
2409 1 6 . 1 1 2 2 LYS C C 2 176.369 176.369 175.904 0.465 19622
2410 1 6 . 1 1 2 2 LYS CA C 2 55.408 55.408 55.967 -0.559 19622
2411 1 6 . 1 1 2 2 LYS CB C 2 32.636 32.636 33.043 -0.407 19622
2412 1 6 . 1 1 2 2 LYS H H 2 9.291 9.291 9.590 -0.299 19622
2413 1 6 . 1 1 3 3 VAL N N 3 128.453 128.453 126.707 1.746 19622
2414 1 6 . 1 1 3 3 VAL HA H 3 4.974 4.974 4.977 -0.003 19622
2415 1 6 . 1 1 3 3 VAL C C 3 175.283 175.283 174.772 0.511 19622
2416 1 6 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.552 0.849 19622
2417 1 6 . 1 1 3 3 VAL CB C 3 33.332 33.332 34.885 -1.553 19622
2418 1 6 . 1 1 3 3 VAL H H 3 9.268 9.268 8.623 0.645 19622
2419 1 6 . 1 1 4 4 THR N N 4 126.298 126.298 126.198 0.100 19622
2420 1 6 . 1 1 4 4 THR HA H 4 4.316 4.316 4.711 -0.395 19622
2421 1 6 . 1 1 4 4 THR C C 4 172.907 172.907 174.111 -1.204 19622
2422 1 6 . 1 1 4 4 THR CA C 4 63.342 63.342 62.475 0.867 19622
2423 1 6 . 1 1 4 4 THR CB C 4 69.170 69.170 68.327 0.843 19622
2424 1 6 . 1 1 4 4 THR H H 4 9.623 9.623 9.122 0.501 19622
2425 1 6 . 1 1 5 5 LEU N N 5 130.058 130.058 130.643 -0.585 19622
2426 1 6 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.689 0.484 19622
2427 1 6 . 1 1 5 5 LEU C C 5 174.969 174.969 175.811 -0.842 19622
2428 1 6 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.732 -2.011 19622
2429 1 6 . 1 1 5 5 LEU CB C 5 41.530 41.530 42.845 -1.315 19622
2430 1 6 . 1 1 5 5 LEU H H 5 9.554 9.554 9.334 0.220 19622
2431 1 6 . 1 1 6 6 LYS N N 6 124.882 124.882 127.117 -2.235 19622
2432 1 6 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.512 0.372 19622
2433 1 6 . 1 1 6 6 LYS C C 6 175.730 175.730 174.891 0.839 19622
2434 1 6 . 1 1 6 6 LYS CA C 6 55.335 55.335 55.109 0.226 19622
2435 1 6 . 1 1 6 6 LYS CB C 6 31.006 31.006 33.031 -2.025 19622
2436 1 6 . 1 1 6 6 LYS H H 6 9.072 9.072 8.733 0.339 19622
2437 1 6 . 1 1 7 7 THR N N 7 117.987 117.987 117.066 0.921 19622
2438 1 6 . 1 1 7 7 THR HA H 7 5.708 5.708 5.294 0.414 19622
2439 1 6 . 1 1 7 7 THR CA C 7 59.875 59.875 58.133 1.742 19622
2440 1 6 . 1 1 7 7 THR CB C 7 69.582 69.582 70.466 -0.884 19622
2441 1 6 . 1 1 7 7 THR H H 7 7.750 7.750 7.631 0.119 19622
2442 1 6 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.352 -0.018 19622
2443 1 6 . 1 1 8 8 PRO C C 8 177.136 177.136 176.604 0.532 19622
2444 1 6 . 1 1 8 8 PRO CA C 8 64.777 64.777 64.387 0.390 19622
2445 1 6 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.676 0.058 19622
2446 1 6 . 1 1 9 9 SER N N 9 109.200 109.200 112.068 -2.868 19622
2447 1 6 . 1 1 9 9 SER HA H 9 4.629 4.629 4.519 0.110 19622
2448 1 6 . 1 1 9 9 SER C C 9 173.571 173.571 174.724 -1.153 19622
2449 1 6 . 1 1 9 9 SER CA C 9 57.371 57.371 58.957 -1.586 19622
2450 1 6 . 1 1 9 9 SER CB C 9 63.513 63.513 65.322 -1.809 19622
2451 1 6 . 1 1 9 9 SER H H 9 7.739 7.739 7.735 0.004 19622
2452 1 6 . 1 1 10 10 GLY N N 10 110.027 110.027 110.148 -0.121 19622
2453 1 6 . 1 1 10 10 GLY C C 10 174.096 174.096 172.216 1.880 19622
2454 1 6 . 1 1 10 10 GLY CA C 10 43.987 43.987 45.026 -1.040 19622
2455 1 6 . 1 1 10 10 GLY H H 10 7.526 7.526 7.930 -0.404 19622
2456 1 6 . 1 1 11 11 ASP N N 11 123.154 123.154 120.305 2.849 19622
2457 1 6 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.067 0.603 19622
2458 1 6 . 1 1 11 11 ASP C C 11 176.750 176.750 175.817 0.933 19622
2459 1 6 . 1 1 11 11 ASP CA C 11 53.710 53.710 53.996 -0.286 19622
2460 1 6 . 1 1 11 11 ASP CB C 11 41.085 41.085 41.755 -0.671 19622
2461 1 6 . 1 1 11 11 ASP H H 11 8.808 8.808 8.235 0.573 19622
2462 1 6 . 1 1 12 12 LYS N N 12 123.685 123.685 122.545 1.140 19622
2463 1 6 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.572 0.106 19622
2464 1 6 . 1 1 12 12 LYS C C 12 174.777 174.777 174.763 0.014 19622
2465 1 6 . 1 1 12 12 LYS CA C 12 55.024 55.024 55.213 -0.189 19622
2466 1 6 . 1 1 12 12 LYS CB C 12 36.206 36.206 36.291 -0.085 19622
2467 1 6 . 1 1 12 12 LYS H H 12 9.108 9.108 8.679 0.429 19622
2468 1 6 . 1 1 13 13 THR N N 13 122.136 122.136 122.652 -0.516 19622
2469 1 6 . 1 1 13 13 THR HA H 13 5.314 5.314 5.002 0.312 19622
2470 1 6 . 1 1 13 13 THR C C 13 174.082 174.082 174.908 -0.826 19622
2471 1 6 . 1 1 13 13 THR CA C 13 62.397 62.397 62.544 -0.147 19622
2472 1 6 . 1 1 13 13 THR CB C 13 69.809 69.809 68.836 0.973 19622
2473 1 6 . 1 1 13 13 THR H H 13 8.935 8.935 8.399 0.536 19622
2474 1 6 . 1 1 14 14 ILE N N 14 122.466 122.466 121.239 1.227 19622
2475 1 6 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.715 0.113 19622
2476 1 6 . 1 1 14 14 ILE C C 14 174.083 174.083 174.046 0.037 19622
2477 1 6 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.705 -0.249 19622
2478 1 6 . 1 1 14 14 ILE CB C 14 41.510 41.510 41.544 -0.034 19622
2479 1 6 . 1 1 14 14 ILE H H 14 9.113 9.113 8.923 0.190 19622
2480 1 6 . 1 1 15 15 GLU N N 15 121.208 121.208 121.891 -0.683 19622
2481 1 6 . 1 1 15 15 GLU HA H 15 4.928 4.928 4.914 0.014 19622
2482 1 6 . 1 1 15 15 GLU C C 15 175.553 175.553 175.458 0.095 19622
2483 1 6 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.357 -0.178 19622
2484 1 6 . 1 1 15 15 GLU CB C 15 31.093 31.093 29.968 1.125 19622
2485 1 6 . 1 1 15 15 GLU H H 15 8.510 8.510 8.459 0.051 19622
2486 1 6 . 1 1 16 16 CYS N N 16 125.232 125.232 124.896 0.336 19622
2487 1 6 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.897 0.189 19622
2488 1 6 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.110 0.551 19622
2489 1 6 . 1 1 16 16 CYS CB C 16 31.298 31.298 28.791 2.507 19622
2490 1 6 . 1 1 16 16 CYS H H 16 9.306 9.306 8.888 0.418 19622
2491 1 6 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.315 0.220 19622
2492 1 6 . 1 1 17 17 PRO C C 17 175.733 175.733 176.502 -0.769 19622
2493 1 6 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.247 -0.357 19622
2494 1 6 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.291 0.851 19622
2495 1 6 . 1 1 18 18 ALA N N 18 120.277 120.277 121.166 -0.889 19622
2496 1 6 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.152 0.100 19622
2497 1 6 . 1 1 18 18 ALA C C 18 177.177 177.177 176.556 0.621 19622
2498 1 6 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.055 0.898 19622
2499 1 6 . 1 1 18 18 ALA CB C 18 19.449 19.449 18.453 0.996 19622
2500 1 6 . 1 1 18 18 ALA H H 18 8.622 8.622 8.397 0.225 19622
2501 1 6 . 1 1 19 19 ASP N N 19 112.081 112.081 110.804 1.277 19622
2502 1 6 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.237 -0.114 19622
2503 1 6 . 1 1 19 19 ASP C C 19 175.263 175.263 175.358 -0.095 19622
2504 1 6 . 1 1 19 19 ASP CA C 19 52.705 52.705 53.316 -0.611 19622
2505 1 6 . 1 1 19 19 ASP CB C 19 39.747 39.747 42.011 -2.264 19622
2506 1 6 . 1 1 19 19 ASP H H 19 7.950 7.950 7.592 0.358 19622
2507 1 6 . 1 1 20 20 THR N N 20 117.760 117.760 118.279 -0.519 19622
2508 1 6 . 1 1 20 20 THR HA H 20 4.555 4.555 4.285 0.270 19622
2509 1 6 . 1 1 20 20 THR C C 20 171.521 171.521 173.369 -1.848 19622
2510 1 6 . 1 1 20 20 THR CA C 20 61.849 61.849 61.202 0.647 19622
2511 1 6 . 1 1 20 20 THR CB C 20 72.498 72.498 70.517 1.981 19622
2512 1 6 . 1 1 20 20 THR H H 20 7.550 7.550 6.935 0.615 19622
2513 1 6 . 1 1 21 21 TYR N N 21 124.181 124.181 123.594 0.587 19622
2514 1 6 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.730 -0.040 19622
2515 1 6 . 1 1 21 21 TYR C C 21 171.626 171.626 176.550 -4.924 19622
2516 1 6 . 1 1 21 21 TYR CA C 21 55.120 55.120 57.288 -2.168 19622
2517 1 6 . 1 1 21 21 TYR CB C 21 38.570 38.570 37.830 0.740 19622
2518 1 6 . 1 1 21 21 TYR H H 21 8.594 8.594 7.907 0.687 19622
2519 1 6 . 1 1 22 22 ILE N N 22 120.076 120.076 123.402 -3.326 19622
2520 1 6 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.749 -0.034 19622
2521 1 6 . 1 1 22 22 ILE C C 22 177.421 177.421 178.195 -0.774 19622
2522 1 6 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.739 -0.298 19622
2523 1 6 . 1 1 22 22 ILE CB C 22 38.297 38.297 37.949 0.348 19622
2524 1 6 . 1 1 22 22 ILE H H 22 9.140 9.140 9.050 0.090 19622
2525 1 6 . 1 1 23 23 LEU N N 23 115.378 115.378 116.726 -1.348 19622
2526 1 6 . 1 1 23 23 LEU HA H 23 3.869 3.869 3.913 -0.044 19622
2527 1 6 . 1 1 23 23 LEU C C 23 176.741 176.741 178.445 -1.704 19622
2528 1 6 . 1 1 23 23 LEU CA C 23 57.892 57.892 57.664 0.228 19622
2529 1 6 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.136 2.493 19622
2530 1 6 . 1 1 23 23 LEU H H 23 7.382 7.382 7.635 -0.253 19622
2531 1 6 . 1 1 24 24 ASP N N 24 116.687 116.687 120.455 -3.768 19622
2532 1 6 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.309 0.005 19622
2533 1 6 . 1 1 24 24 ASP C C 24 178.902 178.902 177.905 0.997 19622
2534 1 6 . 1 1 24 24 ASP CA C 24 57.792 57.792 57.972 -0.180 19622
2535 1 6 . 1 1 24 24 ASP CB C 24 39.971 39.971 41.054 -1.083 19622
2536 1 6 . 1 1 24 24 ASP H H 24 6.747 6.747 8.323 -1.576 19622
2537 1 6 . 1 1 25 25 ALA N N 25 122.742 122.742 122.525 0.217 19622
2538 1 6 . 1 1 25 25 ALA HA H 25 4.231 4.231 4.053 0.178 19622
2539 1 6 . 1 1 25 25 ALA C C 25 180.559 180.559 179.359 1.200 19622
2540 1 6 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.550 0.340 19622
2541 1 6 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.391 0.801 19622
2542 1 6 . 1 1 25 25 ALA H H 25 8.045 8.045 7.639 0.406 19622
2543 1 6 . 1 1 26 26 ALA N N 26 122.264 122.264 122.392 -0.128 19622
2544 1 6 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.942 0.002 19622
2545 1 6 . 1 1 26 26 ALA C C 26 179.219 179.219 179.261 -0.042 19622
2546 1 6 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.437 -0.012 19622
2547 1 6 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.580 0.115 19622
2548 1 6 . 1 1 26 26 ALA H H 26 8.701 8.701 8.497 0.204 19622
2549 1 6 . 1 1 27 27 GLU N N 27 119.508 119.508 117.130 2.378 19622
2550 1 6 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.121 0.182 19622
2551 1 6 . 1 1 27 27 GLU C C 27 169.931 169.931 178.778 -8.847 19622
2552 1 6 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.339 1.204 19622
2553 1 6 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.229 0.230 19622
2554 1 6 . 1 1 27 27 GLU H H 27 8.567 8.567 7.966 0.601 19622
2555 1 6 . 1 1 28 28 GLU N N 28 122.658 122.658 120.171 2.487 19622
2556 1 6 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.094 0.011 19622
2557 1 6 . 1 1 28 28 GLU C C 28 177.634 177.634 178.096 -0.462 19622
2558 1 6 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.559 0.705 19622
2559 1 6 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.223 -0.168 19622
2560 1 6 . 1 1 28 28 GLU H H 28 8.164 8.164 7.660 0.504 19622
2561 1 6 . 1 1 29 29 ALA N N 29 119.216 119.216 119.230 -0.014 19622
2562 1 6 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.159 0.317 19622
2563 1 6 . 1 1 29 29 ALA C C 29 177.282 177.282 176.971 0.311 19622
2564 1 6 . 1 1 29 29 ALA CA C 29 52.052 52.052 53.421 -1.369 19622
2565 1 6 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.445 -0.330 19622
2566 1 6 . 1 1 29 29 ALA H H 29 7.433 7.433 7.989 -0.556 19622
2567 1 6 . 1 1 30 30 GLY N N 30 106.654 106.654 103.519 3.135 19622
2568 1 6 . 1 1 30 30 GLY C C 30 174.629 174.629 174.406 0.223 19622
2569 1 6 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.514 0.877 19622
2570 1 6 . 1 1 30 30 GLY H H 30 7.932 7.932 7.408 0.524 19622
2571 1 6 . 1 1 31 31 LEU N N 31 121.203 121.203 120.387 0.816 19622
2572 1 6 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.565 -0.109 19622
2573 1 6 . 1 1 31 31 LEU C C 31 175.406 175.406 177.422 -2.016 19622
2574 1 6 . 1 1 31 31 LEU CA C 31 54.656 54.656 53.995 0.661 19622
2575 1 6 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.103 0.526 19622
2576 1 6 . 1 1 31 31 LEU H H 31 8.078 8.078 7.487 0.591 19622
2577 1 6 . 1 1 32 32 ASP N N 32 121.884 121.884 124.718 -2.834 19622
2578 1 6 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.687 0.222 19622
2579 1 6 . 1 1 32 32 ASP C C 32 174.882 174.882 174.812 0.070 19622
2580 1 6 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.336 -0.217 19622
2581 1 6 . 1 1 32 32 ASP CB C 32 41.068 41.068 39.840 1.228 19622
2582 1 6 . 1 1 32 32 ASP H H 32 8.418 8.418 8.775 -0.357 19622
2583 1 6 . 1 1 33 33 LEU N N 33 124.734 124.734 121.390 3.344 19622
2584 1 6 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.560 0.105 19622
2585 1 6 . 1 1 33 33 LEU CA C 33 51.940 51.940 52.170 -0.230 19622
2586 1 6 . 1 1 33 33 LEU CB C 33 42.403 42.403 43.449 -1.046 19622
2587 1 6 . 1 1 33 33 LEU H H 33 8.088 8.088 7.592 0.496 19622
2588 1 6 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.397 -0.025 19622
2589 1 6 . 1 1 34 34 PRO CA C 34 62.760 62.760 62.903 -0.143 19622
2590 1 6 . 1 1 34 34 PRO CB C 34 32.298 32.298 31.944 0.354 19622
2591 1 6 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.634 0.095 19622
2592 1 6 . 1 1 46 46 ALA C C 46 178.058 178.058 177.423 0.635 19622
2593 1 6 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.450 1.754 19622
2594 1 6 . 1 1 46 46 ALA CB C 46 18.088 18.088 19.040 -0.952 19622
2595 1 6 . 1 1 47 47 GLY N N 47 112.650 112.650 111.974 0.676 19622
2596 1 6 . 1 1 47 47 GLY C C 47 178.913 178.913 172.802 6.111 19622
2597 1 6 . 1 1 47 47 GLY CA C 47 44.047 44.047 44.601 -0.554 19622
2598 1 6 . 1 1 47 47 GLY H H 47 9.815 9.815 8.347 1.468 19622
2599 1 6 . 1 1 48 48 LYS N N 48 120.076 120.076 118.950 1.126 19622
2600 1 6 . 1 1 48 48 LYS HA H 48 4.936 4.936 5.016 -0.080 19622
2601 1 6 . 1 1 48 48 LYS C C 48 175.432 175.432 175.774 -0.342 19622
2602 1 6 . 1 1 48 48 LYS CA C 48 54.866 54.866 53.602 1.264 19622
2603 1 6 . 1 1 48 48 LYS CB C 48 36.588 36.588 35.316 1.272 19622
2604 1 6 . 1 1 48 48 LYS H H 48 9.129 9.129 8.997 0.132 19622
2605 1 6 . 1 1 49 49 VAL N N 49 127.642 127.642 126.035 1.607 19622
2606 1 6 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.889 0.051 19622
2607 1 6 . 1 1 49 49 VAL C C 49 175.133 175.133 175.257 -0.124 19622
2608 1 6 . 1 1 49 49 VAL CA C 49 63.365 63.365 63.665 -0.300 19622
2609 1 6 . 1 1 49 49 VAL CB C 49 31.981 31.981 32.032 -0.051 19622
2610 1 6 . 1 1 49 49 VAL H H 49 9.523 9.523 8.034 1.489 19622
2611 1 6 . 1 1 50 50 ALA N N 50 102.132 102.132 130.623 -28.491 19622
2612 1 6 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.395 0.038 19622
2613 1 6 . 1 1 50 50 ALA C C 50 177.108 177.108 176.902 0.206 19622
2614 1 6 . 1 1 50 50 ALA CA C 50 52.234 52.234 52.770 -0.536 19622
2615 1 6 . 1 1 50 50 ALA CB C 50 19.925 19.925 20.043 -0.118 19622
2616 1 6 . 1 1 50 50 ALA H H 50 8.792 8.792 8.759 0.033 19622
2617 1 6 . 1 1 51 51 ALA N N 51 119.480 119.480 118.547 0.933 19622
2618 1 6 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.606 -0.106 19622
2619 1 6 . 1 1 51 51 ALA C C 51 176.563 176.563 176.592 -0.029 19622
2620 1 6 . 1 1 51 51 ALA CA C 51 52.396 52.396 50.929 1.467 19622
2621 1 6 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.530 1.177 19622
2622 1 6 . 1 1 51 51 ALA H H 51 7.745 7.745 7.923 -0.178 19622
2623 1 6 . 1 1 52 52 GLY N N 52 108.710 108.710 107.596 1.114 19622
2624 1 6 . 1 1 52 52 GLY C C 52 172.018 172.018 173.564 -1.546 19622
2625 1 6 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.301 -1.272 19622
2626 1 6 . 1 1 52 52 GLY H H 52 8.516 8.516 8.504 0.012 19622
2627 1 6 . 1 1 53 53 THR N N 53 106.654 106.654 111.821 -5.167 19622
2628 1 6 . 1 1 53 53 THR HA H 53 4.707 4.707 4.588 0.119 19622
2629 1 6 . 1 1 53 53 THR C C 53 173.198 173.198 172.831 0.367 19622
2630 1 6 . 1 1 53 53 THR CA C 53 59.740 59.740 60.334 -0.594 19622
2631 1 6 . 1 1 53 53 THR CB C 53 72.296 72.296 71.594 0.702 19622
2632 1 6 . 1 1 53 53 THR H H 53 7.932 7.932 7.933 -0.001 19622
2633 1 6 . 1 1 54 54 VAL N N 54 110.217 110.217 113.651 -3.434 19622
2634 1 6 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.652 0.378 19622
2635 1 6 . 1 1 54 54 VAL C C 54 174.681 174.681 173.959 0.722 19622
2636 1 6 . 1 1 54 54 VAL CA C 54 58.343 58.343 59.277 -0.934 19622
2637 1 6 . 1 1 54 54 VAL CB C 54 36.031 36.031 35.261 0.770 19622
2638 1 6 . 1 1 54 54 VAL H H 54 8.211 8.211 8.279 -0.068 19622
2639 1 6 . 1 1 55 55 ASP N N 55 121.085 121.085 121.331 -0.246 19622
2640 1 6 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.774 0.245 19622
2641 1 6 . 1 1 55 55 ASP C C 55 175.900 175.900 174.930 0.970 19622
2642 1 6 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.573 -0.394 19622
2643 1 6 . 1 1 55 55 ASP CB C 55 43.430 43.430 41.428 2.002 19622
2644 1 6 . 1 1 55 55 ASP H H 55 9.535 9.535 8.835 0.700 19622
2645 1 6 . 1 1 56 56 GLN N N 56 124.248 124.248 124.294 -0.046 19622
2646 1 6 . 1 1 56 56 GLN HA H 56 5.532 5.532 4.671 0.861 19622
2647 1 6 . 1 1 56 56 GLN C C 56 176.233 176.233 176.098 0.135 19622
2648 1 6 . 1 1 56 56 GLN CA C 56 53.067 53.067 53.997 -0.930 19622
2649 1 6 . 1 1 56 56 GLN CB C 56 28.423 28.423 28.234 0.189 19622
2650 1 6 . 1 1 56 56 GLN H H 56 9.270 9.270 8.064 1.206 19622
2651 1 6 . 1 1 57 57 SER N N 57 118.299 118.299 115.136 3.163 19622
2652 1 6 . 1 1 57 57 SER HA H 57 4.234 4.234 4.328 -0.094 19622
2653 1 6 . 1 1 57 57 SER C C 57 175.154 175.154 174.383 0.771 19622
2654 1 6 . 1 1 57 57 SER CA C 57 62.676 62.676 59.678 2.998 19622
2655 1 6 . 1 1 57 57 SER CB C 57 63.213 63.213 63.500 -0.287 19622
2656 1 6 . 1 1 57 57 SER H H 57 8.491 8.491 7.984 0.507 19622
2657 1 6 . 1 1 58 58 ASP N N 58 119.055 119.055 122.256 -3.201 19622
2658 1 6 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.565 0.154 19622
2659 1 6 . 1 1 58 58 ASP C C 58 176.196 176.196 175.196 1.000 19622
2660 1 6 . 1 1 58 58 ASP CA C 58 55.408 55.408 55.127 0.281 19622
2661 1 6 . 1 1 58 58 ASP CB C 58 40.293 40.293 41.104 -0.811 19622
2662 1 6 . 1 1 58 58 ASP H H 58 8.885 8.885 8.279 0.606 19622
2663 1 6 . 1 1 59 59 GLN N N 59 122.287 122.287 119.009 3.278 19622
2664 1 6 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.305 -0.090 19622
2665 1 6 . 1 1 59 59 GLN C C 59 174.169 174.169 176.215 -2.046 19622
2666 1 6 . 1 1 59 59 GLN CA C 59 55.943 55.943 56.466 -0.523 19622
2667 1 6 . 1 1 59 59 GLN CB C 59 29.290 29.290 29.635 -0.345 19622
2668 1 6 . 1 1 59 59 GLN H H 59 8.394 8.394 8.269 0.125 19622
2669 1 6 . 1 1 60 60 SER N N 60 113.844 113.844 117.679 -3.835 19622
2670 1 6 . 1 1 60 60 SER HA H 60 4.729 4.729 4.376 0.353 19622
2671 1 6 . 1 1 60 60 SER C C 60 173.467 173.467 175.342 -1.875 19622
2672 1 6 . 1 1 60 60 SER CA C 60 58.201 58.201 59.297 -1.096 19622
2673 1 6 . 1 1 60 60 SER CB C 60 65.221 65.221 63.541 1.680 19622
2674 1 6 . 1 1 60 60 SER H H 60 8.871 8.871 8.729 0.142 19622
2675 1 6 . 1 1 61 61 PHE N N 61 123.610 123.610 122.269 1.341 19622
2676 1 6 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.374 0.023 19622
2677 1 6 . 1 1 61 61 PHE C C 61 176.268 176.268 175.815 0.453 19622
2678 1 6 . 1 1 61 61 PHE CA C 61 60.986 60.986 57.754 3.232 19622
2679 1 6 . 1 1 61 61 PHE CB C 61 43.362 43.362 39.063 4.299 19622
2680 1 6 . 1 1 61 61 PHE H H 61 7.691 7.691 8.140 -0.449 19622
2681 1 6 . 1 1 62 62 LEU N N 62 121.203 121.203 120.741 0.462 19622
2682 1 6 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.127 0.219 19622
2683 1 6 . 1 1 62 62 LEU C C 62 177.920 177.920 175.475 2.445 19622
2684 1 6 . 1 1 62 62 LEU CA C 62 54.152 54.152 54.974 -0.822 19622
2685 1 6 . 1 1 62 62 LEU CB C 62 42.638 42.638 41.715 0.923 19622
2686 1 6 . 1 1 62 62 LEU H H 62 10.705 10.705 7.770 2.935 19622
2687 1 6 . 1 1 63 63 ASP N N 63 121.418 121.418 126.508 -5.090 19622
2688 1 6 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.736 -0.056 19622
2689 1 6 . 1 1 63 63 ASP C C 63 176.479 176.479 176.719 -0.240 19622
2690 1 6 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.079 -1.341 19622
2691 1 6 . 1 1 63 63 ASP CB C 63 41.706 41.706 44.148 -2.442 19622
2692 1 6 . 1 1 63 63 ASP H H 63 8.672 8.672 8.109 0.563 19622
2693 1 6 . 1 1 64 64 ASP N N 64 117.220 117.220 120.168 -2.948 19622
2694 1 6 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.282 0.001 19622
2695 1 6 . 1 1 64 64 ASP C C 64 179.309 179.309 178.133 1.176 19622
2696 1 6 . 1 1 64 64 ASP CA C 64 57.917 57.917 58.148 -0.231 19622
2697 1 6 . 1 1 64 64 ASP CB C 64 40.862 40.862 40.678 0.184 19622
2698 1 6 . 1 1 64 64 ASP H H 64 8.282 8.282 8.831 -0.549 19622
2699 1 6 . 1 1 65 65 ALA N N 65 125.398 125.398 122.083 3.315 19622
2700 1 6 . 1 1 65 65 ALA HA H 65 4.137 4.137 3.976 0.161 19622
2701 1 6 . 1 1 65 65 ALA C C 65 180.917 180.917 179.673 1.244 19622
2702 1 6 . 1 1 65 65 ALA CA C 65 54.858 54.858 55.249 -0.391 19622
2703 1 6 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.233 -0.484 19622
2704 1 6 . 1 1 65 65 ALA H H 65 8.215 8.215 8.131 0.084 19622
2705 1 6 . 1 1 66 66 GLN N N 66 119.386 119.386 117.122 2.264 19622
2706 1 6 . 1 1 66 66 GLN HA H 66 4.315 4.315 4.081 0.234 19622
2707 1 6 . 1 1 66 66 GLN C C 66 180.587 180.587 178.486 2.101 19622
2708 1 6 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.523 0.528 19622
2709 1 6 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.236 0.491 19622
2710 1 6 . 1 1 66 66 GLN H H 66 8.821 8.821 7.622 1.199 19622
2711 1 6 . 1 1 67 67 MET N N 67 118.975 118.975 120.584 -1.609 19622
2712 1 6 . 1 1 67 67 MET HA H 67 4.432 4.432 4.544 -0.112 19622
2713 1 6 . 1 1 67 67 MET C C 67 181.267 181.267 178.360 2.907 19622
2714 1 6 . 1 1 67 67 MET CA C 67 59.988 59.988 58.382 1.606 19622
2715 1 6 . 1 1 67 67 MET CB C 67 33.535 33.535 32.889 0.646 19622
2716 1 6 . 1 1 67 67 MET H H 67 8.504 8.504 8.029 0.475 19622
2717 1 6 . 1 1 68 68 GLY N N 68 110.904 110.904 105.987 4.917 19622
2718 1 6 . 1 1 68 68 GLY C C 68 174.778 174.778 175.454 -0.676 19622
2719 1 6 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.238 0.449 19622
2720 1 6 . 1 1 68 68 GLY H H 68 8.697 8.697 8.452 0.245 19622
2721 1 6 . 1 1 69 69 ASN N N 69 118.203 118.203 118.760 -0.557 19622
2722 1 6 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.542 0.350 19622
2723 1 6 . 1 1 69 69 ASN C C 69 174.610 174.610 174.364 0.246 19622
2724 1 6 . 1 1 69 69 ASN CA C 69 53.121 53.121 53.785 -0.664 19622
2725 1 6 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.984 0.410 19622
2726 1 6 . 1 1 69 69 ASN H H 69 7.536 7.536 7.540 -0.004 19622
2727 1 6 . 1 1 70 70 GLY N N 70 104.994 104.994 105.531 -0.537 19622
2728 1 6 . 1 1 70 70 GLY C C 70 174.423 174.423 173.649 0.774 19622
2729 1 6 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.756 0.422 19622
2730 1 6 . 1 1 70 70 GLY H H 70 7.725 7.725 7.017 0.708 19622
2731 1 6 . 1 1 71 71 PHE N N 71 117.987 117.987 119.846 -1.859 19622
2732 1 6 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.849 0.192 19622
2733 1 6 . 1 1 71 71 PHE C C 71 175.618 175.618 174.473 1.145 19622
2734 1 6 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.618 4.872 19622
2735 1 6 . 1 1 71 71 PHE CB C 71 39.860 39.860 40.908 -1.048 19622
2736 1 6 . 1 1 71 71 PHE H H 71 7.750 7.750 7.837 -0.087 19622
2737 1 6 . 1 1 72 72 VAL N N 72 117.069 117.069 113.785 3.284 19622
2738 1 6 . 1 1 72 72 VAL HA H 72 5.073 5.073 4.809 0.264 19622
2739 1 6 . 1 1 72 72 VAL CA C 72 57.273 57.273 58.805 -1.532 19622
2740 1 6 . 1 1 72 72 VAL CB C 72 34.219 34.219 35.502 -1.283 19622
2741 1 6 . 1 1 72 72 VAL H H 72 8.578 8.578 8.881 -0.303 19622
2742 1 6 . 1 1 76 76 VAL HA H 76 2.939 2.939 4.159 -1.220 19622
2743 1 6 . 1 1 76 76 VAL C C 76 172.825 172.825 174.117 -1.292 19622
2744 1 6 . 1 1 76 76 VAL CA C 76 59.273 59.273 61.459 -2.186 19622
2745 1 6 . 1 1 76 76 VAL CB C 76 31.330 31.330 31.537 -0.207 19622
2746 1 6 . 1 1 77 77 ALA N N 77 120.939 120.939 123.402 -2.463 19622
2747 1 6 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.109 0.032 19622
2748 1 6 . 1 1 77 77 ALA C C 77 175.744 175.744 175.203 0.541 19622
2749 1 6 . 1 1 77 77 ALA CA C 77 49.687 49.687 51.124 -1.437 19622
2750 1 6 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.418 -0.079 19622
2751 1 6 . 1 1 77 77 ALA H H 77 6.318 6.318 7.533 -1.215 19622
2752 1 6 . 1 1 78 78 TYR N N 78 122.466 122.466 117.743 4.723 19622
2753 1 6 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.147 0.233 19622
2754 1 6 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.125 0.271 19622
2755 1 6 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.476 0.184 19622
2756 1 6 . 1 1 78 78 TYR H H 78 9.113 9.113 7.658 1.455 19622
2757 1 6 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.680 0.064 19622
2758 1 6 . 1 1 79 79 PRO C C 79 176.434 176.434 176.995 -0.561 19622
2759 1 6 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.875 0.470 19622
2760 1 6 . 1 1 79 79 PRO CB C 79 31.141 31.141 32.077 -0.936 19622
2761 1 6 . 1 1 80 80 THR N N 80 110.712 110.712 112.855 -2.143 19622
2762 1 6 . 1 1 80 80 THR HA H 80 4.204 4.204 3.969 0.235 19622
2763 1 6 . 1 1 80 80 THR C C 80 171.733 171.733 174.141 -2.408 19622
2764 1 6 . 1 1 80 80 THR CA C 80 60.121 60.121 61.667 -1.546 19622
2765 1 6 . 1 1 80 80 THR CB C 80 68.267 68.267 69.126 -0.859 19622
2766 1 6 . 1 1 80 80 THR H H 80 8.470 8.470 8.110 0.360 19622
2767 1 6 . 1 1 81 81 SER N N 81 114.994 114.994 115.976 -0.982 19622
2768 1 6 . 1 1 81 81 SER HA H 81 3.869 3.869 4.489 -0.620 19622
2769 1 6 . 1 1 81 81 SER C C 81 172.754 172.754 172.070 0.684 19622
2770 1 6 . 1 1 81 81 SER CA C 81 57.892 57.892 57.047 0.845 19622
2771 1 6 . 1 1 81 81 SER CB C 81 66.405 66.405 66.096 0.309 19622
2772 1 6 . 1 1 81 81 SER H H 81 7.604 7.604 7.194 0.410 19622
2773 1 6 . 1 1 82 82 ASP N N 82 120.462 120.462 122.334 -1.872 19622
2774 1 6 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.885 0.279 19622
2775 1 6 . 1 1 82 82 ASP C C 82 178.987 178.987 175.880 3.107 19622
2776 1 6 . 1 1 82 82 ASP CA C 82 56.313 56.313 55.131 1.182 19622
2777 1 6 . 1 1 82 82 ASP CB C 82 39.386 39.386 40.744 -1.358 19622
2778 1 6 . 1 1 82 82 ASP H H 82 8.690 8.690 8.654 0.036 19622
2779 1 6 . 1 1 83 83 CYS N N 83 120.974 120.974 120.332 0.642 19622
2780 1 6 . 1 1 83 83 CYS HA H 83 5.139 5.139 5.058 0.081 19622
2781 1 6 . 1 1 83 83 CYS C C 83 172.614 172.614 173.437 -0.823 19622
2782 1 6 . 1 1 83 83 CYS CA C 83 56.370 56.370 55.657 0.713 19622
2783 1 6 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.861 -0.311 19622
2784 1 6 . 1 1 83 83 CYS H H 83 8.922 8.922 8.332 0.590 19622
2785 1 6 . 1 1 84 84 THR N N 84 116.819 116.819 116.615 0.204 19622
2786 1 6 . 1 1 84 84 THR HA H 84 5.464 5.464 4.969 0.495 19622
2787 1 6 . 1 1 84 84 THR C C 84 173.477 173.477 173.003 0.474 19622
2788 1 6 . 1 1 84 84 THR CA C 84 61.171 61.171 62.474 -1.303 19622
2789 1 6 . 1 1 84 84 THR CB C 84 70.791 70.791 70.490 0.301 19622
2790 1 6 . 1 1 84 84 THR H H 84 8.637 8.637 8.176 0.461 19622
2791 1 6 . 1 1 85 85 ILE N N 85 127.705 127.705 126.916 0.789 19622
2792 1 6 . 1 1 85 85 ILE HA H 85 4.831 4.831 4.967 -0.136 19622
2793 1 6 . 1 1 85 85 ILE C C 85 174.828 174.828 175.549 -0.721 19622
2794 1 6 . 1 1 85 85 ILE CA C 85 57.901 57.901 58.101 -0.200 19622
2795 1 6 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.428 2.139 19622
2796 1 6 . 1 1 85 85 ILE H H 85 9.433 9.433 9.101 0.332 19622
2797 1 6 . 1 1 86 86 GLN N N 86 128.424 128.424 128.308 0.116 19622
2798 1 6 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.667 0.414 19622
2799 1 6 . 1 1 86 86 GLN C C 86 176.145 176.145 177.135 -0.990 19622
2800 1 6 . 1 1 86 86 GLN CA C 86 54.821 54.821 57.057 -2.236 19622
2801 1 6 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.611 -0.922 19622
2802 1 6 . 1 1 86 86 GLN H H 86 9.533 9.533 9.081 0.452 19622
2803 1 6 . 1 1 87 87 THR N N 87 117.634 117.634 120.297 -2.663 19622
2804 1 6 . 1 1 87 87 THR HA H 87 4.600 4.600 4.495 0.105 19622
2805 1 6 . 1 1 87 87 THR C C 87 175.822 175.822 176.669 -0.847 19622
2806 1 6 . 1 1 87 87 THR CA C 87 62.643 62.643 63.459 -0.816 19622
2807 1 6 . 1 1 87 87 THR CB C 87 68.604 68.604 69.102 -0.498 19622
2808 1 6 . 1 1 87 87 THR H H 87 8.292 8.292 8.868 -0.576 19622
2809 1 6 . 1 1 88 88 HIS N N 88 117.083 117.083 119.810 -2.727 19622
2810 1 6 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.620 -0.040 19622
2811 1 6 . 1 1 88 88 HIS C C 88 177.884 177.884 175.270 2.614 19622
2812 1 6 . 1 1 88 88 HIS CA C 88 58.580 58.580 56.817 1.763 19622
2813 1 6 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.042 -1.702 19622
2814 1 6 . 1 1 88 88 HIS H H 88 9.658 9.658 8.906 0.752 19622
2815 1 6 . 1 1 89 89 GLN N N 89 112.869 112.869 118.459 -5.590 19622
2816 1 6 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.588 0.147 19622
2817 1 6 . 1 1 89 89 GLN C C 89 175.239 175.239 176.529 -1.290 19622
2818 1 6 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.461 -0.511 19622
2819 1 6 . 1 1 89 89 GLN CB C 89 29.312 29.312 26.945 2.367 19622
2820 1 6 . 1 1 89 89 GLN H H 89 7.591 7.591 7.858 -0.267 19622
2821 1 6 . 1 1 90 90 GLU N N 90 122.583 122.583 120.748 1.835 19622
2822 1 6 . 1 1 90 90 GLU HA H 90 3.588 3.588 4.032 -0.444 19622
2823 1 6 . 1 1 90 90 GLU C C 90 177.210 177.210 177.998 -0.788 19622
2824 1 6 . 1 1 90 90 GLU CA C 90 61.485 61.485 59.343 2.142 19622
2825 1 6 . 1 1 90 90 GLU CB C 90 29.147 29.147 28.604 0.543 19622
2826 1 6 . 1 1 90 90 GLU H H 90 8.327 8.327 7.588 0.739 19622
2827 1 6 . 1 1 91 91 GLU N N 91 115.209 115.209 120.429 -5.220 19622
2828 1 6 . 1 1 91 91 GLU HA H 91 4.041 4.041 4.038 0.003 19622
2829 1 6 . 1 1 91 91 GLU C C 91 179.055 179.055 177.983 1.072 19622
2830 1 6 . 1 1 91 91 GLU CA C 91 59.647 59.647 58.726 0.921 19622
2831 1 6 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.091 -0.265 19622
2832 1 6 . 1 1 91 91 GLU H H 91 8.666 8.666 8.417 0.249 19622
2833 1 6 . 1 1 92 92 ALA N N 92 121.790 121.790 120.782 1.008 19622
2834 1 6 . 1 1 92 92 ALA HA H 92 4.212 4.212 3.862 0.350 19622
2835 1 6 . 1 1 92 92 ALA C C 92 179.762 179.762 179.028 0.734 19622
2836 1 6 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.526 -0.326 19622
2837 1 6 . 1 1 92 92 ALA CB C 92 16.917 16.917 17.738 -0.821 19622
2838 1 6 . 1 1 92 92 ALA H H 92 7.628 7.628 8.018 -0.390 19622
2839 1 6 . 1 1 93 93 LEU N N 93 119.699 119.699 118.005 1.694 19622
2840 1 6 . 1 1 93 93 LEU HA H 93 3.263 3.263 3.848 -0.585 19622
2841 1 6 . 1 1 93 93 LEU C C 93 177.803 177.803 178.082 -0.279 19622
2842 1 6 . 1 1 93 93 LEU CA C 93 57.031 57.031 56.952 0.079 19622
2843 1 6 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.504 -0.194 19622
2844 1 6 . 1 1 93 93 LEU H H 93 7.694 7.694 7.252 0.442 19622
2845 1 6 . 1 1 94 94 TYR N N 94 116.307 116.307 118.292 -1.985 19622
2846 1 6 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.385 -0.011 19622
2847 1 6 . 1 1 94 94 TYR C C 94 176.548 176.548 176.779 -0.231 19622
2848 1 6 . 1 1 94 94 TYR CA C 94 58.822 58.822 60.877 -2.054 19622
2849 1 6 . 1 1 94 94 TYR CB C 94 38.500 38.500 39.379 -0.879 19622
2850 1 6 . 1 1 94 94 TYR H H 94 7.343 7.343 7.493 -0.150 19622
2851 1 6 . 1 1 95 95 GLU N N 95 120.194 120.194 114.903 5.291 19622
2852 1 6 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.293 -0.132 19622
2853 1 6 . 1 1 95 95 GLU C C 95 176.704 176.704 175.936 0.768 19622
2854 1 6 . 1 1 95 95 GLU CA C 95 57.795 57.795 56.984 0.811 19622
2855 1 6 . 1 1 95 95 GLU CB C 95 30.121 30.121 31.787 -1.666 19622
2856 1 6 . 1 1 95 95 GLU H H 95 7.707 7.707 8.590 -0.883 19622
2857 1 6 . 1 1 96 96 ASN N N 96 118.074 118.074 114.054 4.020 19622
2858 1 6 . 1 1 96 96 ASN HA H 96 4.580 4.580 4.812 -0.232 19622
2859 1 6 . 1 1 96 96 ASN C C 96 176.061 176.061 174.932 1.129 19622
2860 1 6 . 1 1 96 96 ASN CA C 96 54.092 54.092 53.727 0.365 19622
2861 1 6 . 1 1 96 96 ASN CB C 96 38.864 38.864 40.310 -1.446 19622
2862 1 6 . 1 1 96 96 ASN H H 96 8.195 8.195 7.886 0.309 19622
2863 1 6 . 1 1 97 97 LEU N N 97 120.760 120.760 118.762 1.998 19622
2864 1 6 . 1 1 97 97 LEU HA H 97 4.142 4.142 3.689 0.453 19622
2865 1 6 . 1 1 97 97 LEU C C 97 177.094 177.094 175.050 2.044 19622
2866 1 6 . 1 1 97 97 LEU CA C 97 55.429 55.429 55.317 0.112 19622
2867 1 6 . 1 1 97 97 LEU CB C 97 42.562 42.562 40.711 1.851 19622
2868 1 6 . 1 1 97 97 LEU H H 97 7.912 7.912 8.233 -0.321 19622
2869 1 6 . 1 1 98 98 TYR N N 98 118.892 118.892 114.091 4.801 19622
2870 1 6 . 1 1 98 98 TYR HA H 98 4.520 4.520 4.137 0.383 19622
2871 1 6 . 1 1 98 98 TYR C C 98 175.296 175.296 174.292 1.004 19622
2872 1 6 . 1 1 98 98 TYR CA C 98 57.640 57.640 58.693 -1.053 19622
2873 1 6 . 1 1 98 98 TYR CB C 98 38.660 38.660 37.441 1.219 19622
2874 1 6 . 1 1 98 98 TYR H H 98 7.898 7.898 7.893 0.005 19622
2875 1 6 . 1 1 99 99 PHE N N 99 121.225 121.225 121.608 -0.383 19622
2876 1 6 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.706 -0.228 19622
2877 1 6 . 1 1 99 99 PHE C C 99 174.558 174.558 175.133 -0.575 19622
2878 1 6 . 1 1 99 99 PHE CA C 99 58.151 58.151 56.450 1.701 19622
2879 1 6 . 1 1 99 99 PHE CB C 99 39.561 39.561 36.918 2.643 19622
2880 1 6 . 1 1 99 99 PHE H H 99 7.931 7.931 7.565 0.366 19622
2881 1 7 . 1 1 1 1 TYR N N 1 121.776 121.776 119.502 2.274 19622
2882 1 7 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.710 0.190 19622
2883 1 7 . 1 1 1 1 TYR C C 1 174.477 174.477 175.496 -1.019 19622
2884 1 7 . 1 1 1 1 TYR CA C 1 57.340 57.340 56.969 0.371 19622
2885 1 7 . 1 1 1 1 TYR CB C 1 40.147 40.147 40.072 0.075 19622
2886 1 7 . 1 1 1 1 TYR H H 1 8.204 8.204 8.751 -0.547 19622
2887 1 7 . 1 1 2 2 LYS N N 2 122.911 122.911 123.882 -0.971 19622
2888 1 7 . 1 1 2 2 LYS HA H 2 4.719 4.719 5.114 -0.395 19622
2889 1 7 . 1 1 2 2 LYS C C 2 176.369 176.369 175.857 0.512 19622
2890 1 7 . 1 1 2 2 LYS CA C 2 55.408 55.408 55.840 -0.432 19622
2891 1 7 . 1 1 2 2 LYS CB C 2 32.636 32.636 32.924 -0.288 19622
2892 1 7 . 1 1 2 2 LYS H H 2 9.291 9.291 8.830 0.461 19622
2893 1 7 . 1 1 3 3 VAL N N 3 128.453 128.453 125.867 2.586 19622
2894 1 7 . 1 1 3 3 VAL HA H 3 4.974 4.974 5.062 -0.088 19622
2895 1 7 . 1 1 3 3 VAL C C 3 175.283 175.283 174.782 0.501 19622
2896 1 7 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.181 1.220 19622
2897 1 7 . 1 1 3 3 VAL CB C 3 33.332 33.332 34.410 -1.078 19622
2898 1 7 . 1 1 3 3 VAL H H 3 9.268 9.268 8.338 0.930 19622
2899 1 7 . 1 1 4 4 THR N N 4 126.298 126.298 125.976 0.322 19622
2900 1 7 . 1 1 4 4 THR HA H 4 4.316 4.316 4.635 -0.319 19622
2901 1 7 . 1 1 4 4 THR C C 4 172.907 172.907 174.243 -1.336 19622
2902 1 7 . 1 1 4 4 THR CA C 4 63.342 63.342 62.586 0.756 19622
2903 1 7 . 1 1 4 4 THR CB C 4 69.170 69.170 69.032 0.138 19622
2904 1 7 . 1 1 4 4 THR H H 4 9.623 9.623 9.043 0.580 19622
2905 1 7 . 1 1 5 5 LEU N N 5 130.058 130.058 131.271 -1.213 19622
2906 1 7 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.783 0.390 19622
2907 1 7 . 1 1 5 5 LEU C C 5 174.969 174.969 176.164 -1.195 19622
2908 1 7 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.855 -2.134 19622
2909 1 7 . 1 1 5 5 LEU CB C 5 41.530 41.530 42.769 -1.239 19622
2910 1 7 . 1 1 5 5 LEU H H 5 9.554 9.554 9.264 0.289 19622
2911 1 7 . 1 1 6 6 LYS N N 6 124.882 124.882 125.502 -0.620 19622
2912 1 7 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.916 -0.032 19622
2913 1 7 . 1 1 6 6 LYS C C 6 175.730 175.730 176.366 -0.636 19622
2914 1 7 . 1 1 6 6 LYS CA C 6 55.335 55.335 53.928 1.407 19622
2915 1 7 . 1 1 6 6 LYS CB C 6 31.006 31.006 31.630 -0.624 19622
2916 1 7 . 1 1 6 6 LYS H H 6 9.072 9.072 8.974 0.098 19622
2917 1 7 . 1 1 7 7 THR N N 7 117.987 117.987 116.555 1.432 19622
2918 1 7 . 1 1 7 7 THR HA H 7 5.708 5.708 5.307 0.401 19622
2919 1 7 . 1 1 7 7 THR CA C 7 59.875 59.875 58.565 1.310 19622
2920 1 7 . 1 1 7 7 THR CB C 7 69.582 69.582 69.709 -0.127 19622
2921 1 7 . 1 1 7 7 THR H H 7 7.750 7.750 8.840 -1.090 19622
2922 1 7 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.422 -0.088 19622
2923 1 7 . 1 1 8 8 PRO C C 8 177.136 177.136 176.659 0.477 19622
2924 1 7 . 1 1 8 8 PRO CA C 8 64.777 64.777 64.751 0.026 19622
2925 1 7 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.349 0.385 19622
2926 1 7 . 1 1 9 9 SER N N 9 109.200 109.200 110.232 -1.032 19622
2927 1 7 . 1 1 9 9 SER HA H 9 4.629 4.629 4.488 0.141 19622
2928 1 7 . 1 1 9 9 SER C C 9 173.571 173.571 174.621 -1.050 19622
2929 1 7 . 1 1 9 9 SER CA C 9 57.371 57.371 57.703 -0.332 19622
2930 1 7 . 1 1 9 9 SER CB C 9 63.513 63.513 64.723 -1.210 19622
2931 1 7 . 1 1 9 9 SER H H 9 7.739 7.739 8.240 -0.501 19622
2932 1 7 . 1 1 10 10 GLY N N 10 110.027 110.027 108.943 1.084 19622
2933 1 7 . 1 1 10 10 GLY C C 10 174.096 174.096 171.436 2.660 19622
2934 1 7 . 1 1 10 10 GLY CA C 10 43.987 43.987 45.110 -1.123 19622
2935 1 7 . 1 1 10 10 GLY H H 10 7.526 7.526 7.826 -0.300 19622
2936 1 7 . 1 1 11 11 ASP N N 11 123.154 123.154 119.832 3.322 19622
2937 1 7 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.633 0.037 19622
2938 1 7 . 1 1 11 11 ASP C C 11 176.750 176.750 174.535 2.215 19622
2939 1 7 . 1 1 11 11 ASP CA C 11 53.710 53.710 52.790 0.920 19622
2940 1 7 . 1 1 11 11 ASP CB C 11 41.085 41.085 44.699 -3.614 19622
2941 1 7 . 1 1 11 11 ASP H H 11 8.808 8.808 8.313 0.495 19622
2942 1 7 . 1 1 12 12 LYS N N 12 123.685 123.685 121.799 1.886 19622
2943 1 7 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.687 -0.009 19622
2944 1 7 . 1 1 12 12 LYS C C 12 174.777 174.777 174.771 0.006 19622
2945 1 7 . 1 1 12 12 LYS CA C 12 55.024 55.024 55.472 -0.448 19622
2946 1 7 . 1 1 12 12 LYS CB C 12 36.206 36.206 36.469 -0.263 19622
2947 1 7 . 1 1 12 12 LYS H H 12 9.108 9.108 8.870 0.238 19622
2948 1 7 . 1 1 13 13 THR N N 13 122.136 122.136 121.717 0.419 19622
2949 1 7 . 1 1 13 13 THR HA H 13 5.314 5.314 4.927 0.387 19622
2950 1 7 . 1 1 13 13 THR C C 13 174.082 174.082 174.936 -0.854 19622
2951 1 7 . 1 1 13 13 THR CA C 13 62.397 62.397 62.615 -0.218 19622
2952 1 7 . 1 1 13 13 THR CB C 13 69.809 69.809 68.845 0.964 19622
2953 1 7 . 1 1 13 13 THR H H 13 8.935 8.935 8.367 0.568 19622
2954 1 7 . 1 1 14 14 ILE N N 14 122.466 122.466 121.534 0.932 19622
2955 1 7 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.680 0.148 19622
2956 1 7 . 1 1 14 14 ILE C C 14 174.083 174.083 174.136 -0.053 19622
2957 1 7 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.616 -0.160 19622
2958 1 7 . 1 1 14 14 ILE CB C 14 41.510 41.510 41.753 -0.243 19622
2959 1 7 . 1 1 14 14 ILE H H 14 9.113 9.113 8.820 0.293 19622
2960 1 7 . 1 1 15 15 GLU N N 15 121.208 121.208 121.472 -0.264 19622
2961 1 7 . 1 1 15 15 GLU HA H 15 4.928 4.928 4.844 0.084 19622
2962 1 7 . 1 1 15 15 GLU C C 15 175.553 175.553 175.422 0.131 19622
2963 1 7 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.382 -0.203 19622
2964 1 7 . 1 1 15 15 GLU CB C 15 31.093 31.093 29.945 1.148 19622
2965 1 7 . 1 1 15 15 GLU H H 15 8.510 8.510 8.475 0.035 19622
2966 1 7 . 1 1 16 16 CYS N N 16 125.232 125.232 124.789 0.443 19622
2967 1 7 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.959 0.127 19622
2968 1 7 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.162 0.499 19622
2969 1 7 . 1 1 16 16 CYS CB C 16 31.298 31.298 29.285 2.013 19622
2970 1 7 . 1 1 16 16 CYS H H 16 9.306 9.306 8.838 0.468 19622
2971 1 7 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.369 0.166 19622
2972 1 7 . 1 1 17 17 PRO C C 17 175.733 175.733 176.222 -0.489 19622
2973 1 7 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.352 -0.462 19622
2974 1 7 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.446 0.696 19622
2975 1 7 . 1 1 18 18 ALA N N 18 120.277 120.277 120.527 -0.250 19622
2976 1 7 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.185 0.067 19622
2977 1 7 . 1 1 18 18 ALA C C 18 177.177 177.177 176.781 0.396 19622
2978 1 7 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.502 0.451 19622
2979 1 7 . 1 1 18 18 ALA CB C 18 19.449 19.449 18.745 0.703 19622
2980 1 7 . 1 1 18 18 ALA H H 18 8.622 8.622 8.468 0.154 19622
2981 1 7 . 1 1 19 19 ASP N N 19 112.081 112.081 110.116 1.965 19622
2982 1 7 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.286 -0.163 19622
2983 1 7 . 1 1 19 19 ASP C C 19 175.263 175.263 175.410 -0.147 19622
2984 1 7 . 1 1 19 19 ASP CA C 19 52.705 52.705 53.063 -0.358 19622
2985 1 7 . 1 1 19 19 ASP CB C 19 39.747 39.747 42.420 -2.673 19622
2986 1 7 . 1 1 19 19 ASP H H 19 7.950 7.950 7.708 0.242 19622
2987 1 7 . 1 1 20 20 THR N N 20 117.760 117.760 117.732 0.028 19622
2988 1 7 . 1 1 20 20 THR HA H 20 4.555 4.555 4.360 0.195 19622
2989 1 7 . 1 1 20 20 THR C C 20 171.521 171.521 173.398 -1.877 19622
2990 1 7 . 1 1 20 20 THR CA C 20 61.849 61.849 61.643 0.206 19622
2991 1 7 . 1 1 20 20 THR CB C 20 72.498 72.498 70.688 1.810 19622
2992 1 7 . 1 1 20 20 THR H H 20 7.550 7.550 7.073 0.477 19622
2993 1 7 . 1 1 21 21 TYR N N 21 124.181 124.181 123.273 0.908 19622
2994 1 7 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.901 -0.211 19622
2995 1 7 . 1 1 21 21 TYR C C 21 171.626 171.626 177.121 -5.495 19622
2996 1 7 . 1 1 21 21 TYR CA C 21 55.120 55.120 56.554 -1.434 19622
2997 1 7 . 1 1 21 21 TYR CB C 21 38.570 38.570 37.711 0.859 19622
2998 1 7 . 1 1 21 21 TYR H H 21 8.594 8.594 8.057 0.537 19622
2999 1 7 . 1 1 22 22 ILE N N 22 120.076 120.076 123.981 -3.905 19622
3000 1 7 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.772 -0.057 19622
3001 1 7 . 1 1 22 22 ILE C C 22 177.421 177.421 178.294 -0.873 19622
3002 1 7 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.847 -0.407 19622
3003 1 7 . 1 1 22 22 ILE CB C 22 38.297 38.297 37.970 0.327 19622
3004 1 7 . 1 1 22 22 ILE H H 22 9.140 9.140 9.012 0.128 19622
3005 1 7 . 1 1 23 23 LEU N N 23 115.378 115.378 117.371 -1.993 19622
3006 1 7 . 1 1 23 23 LEU HA H 23 3.869 3.869 3.959 -0.090 19622
3007 1 7 . 1 1 23 23 LEU C C 23 176.741 176.741 178.475 -1.734 19622
3008 1 7 . 1 1 23 23 LEU CA C 23 57.892 57.892 58.365 -0.473 19622
3009 1 7 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.629 2.000 19622
3010 1 7 . 1 1 23 23 LEU H H 23 7.382 7.382 7.760 -0.378 19622
3011 1 7 . 1 1 24 24 ASP N N 24 116.687 116.687 120.441 -3.754 19622
3012 1 7 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.437 -0.123 19622
3013 1 7 . 1 1 24 24 ASP C C 24 178.902 178.902 178.101 0.801 19622
3014 1 7 . 1 1 24 24 ASP CA C 24 57.792 57.792 58.135 -0.343 19622
3015 1 7 . 1 1 24 24 ASP CB C 24 39.971 39.971 40.997 -1.026 19622
3016 1 7 . 1 1 24 24 ASP H H 24 6.747 6.747 8.495 -1.748 19622
3017 1 7 . 1 1 25 25 ALA N N 25 122.742 122.742 122.388 0.354 19622
3018 1 7 . 1 1 25 25 ALA HA H 25 4.231 4.231 4.092 0.139 19622
3019 1 7 . 1 1 25 25 ALA C C 25 180.559 180.559 179.451 1.108 19622
3020 1 7 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.575 0.315 19622
3021 1 7 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.452 0.740 19622
3022 1 7 . 1 1 25 25 ALA H H 25 8.045 8.045 7.705 0.340 19622
3023 1 7 . 1 1 26 26 ALA N N 26 122.264 122.264 122.837 -0.573 19622
3024 1 7 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.969 -0.025 19622
3025 1 7 . 1 1 26 26 ALA C C 26 179.219 179.219 179.377 -0.158 19622
3026 1 7 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.408 0.017 19622
3027 1 7 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.645 0.050 19622
3028 1 7 . 1 1 26 26 ALA H H 26 8.701 8.701 8.509 0.192 19622
3029 1 7 . 1 1 27 27 GLU N N 27 119.508 119.508 117.434 2.074 19622
3030 1 7 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.025 0.278 19622
3031 1 7 . 1 1 27 27 GLU C C 27 169.931 169.931 178.653 -8.722 19622
3032 1 7 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.601 0.942 19622
3033 1 7 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.268 0.190 19622
3034 1 7 . 1 1 27 27 GLU H H 27 8.567 8.567 8.463 0.104 19622
3035 1 7 . 1 1 28 28 GLU N N 28 122.658 122.658 120.512 2.146 19622
3036 1 7 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.068 0.037 19622
3037 1 7 . 1 1 28 28 GLU C C 28 177.634 177.634 178.268 -0.634 19622
3038 1 7 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.534 0.730 19622
3039 1 7 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.658 -0.603 19622
3040 1 7 . 1 1 28 28 GLU H H 28 8.164 8.164 7.631 0.533 19622
3041 1 7 . 1 1 29 29 ALA N N 29 119.216 119.216 118.781 0.435 19622
3042 1 7 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.129 0.347 19622
3043 1 7 . 1 1 29 29 ALA C C 29 177.282 177.282 177.501 -0.219 19622
3044 1 7 . 1 1 29 29 ALA CA C 29 52.052 52.052 53.014 -0.962 19622
3045 1 7 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.731 -0.616 19622
3046 1 7 . 1 1 29 29 ALA H H 29 7.433 7.433 7.927 -0.494 19622
3047 1 7 . 1 1 30 30 GLY N N 30 106.654 106.654 104.627 2.027 19622
3048 1 7 . 1 1 30 30 GLY C C 30 174.629 174.629 174.992 -0.363 19622
3049 1 7 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.419 0.972 19622
3050 1 7 . 1 1 30 30 GLY H H 30 7.932 7.932 7.431 0.501 19622
3051 1 7 . 1 1 31 31 LEU N N 31 121.203 121.203 119.900 1.303 19622
3052 1 7 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.491 -0.035 19622
3053 1 7 . 1 1 31 31 LEU C C 31 175.406 175.406 177.631 -2.225 19622
3054 1 7 . 1 1 31 31 LEU CA C 31 54.656 54.656 54.164 0.491 19622
3055 1 7 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.590 0.039 19622
3056 1 7 . 1 1 31 31 LEU H H 31 8.078 8.078 7.404 0.674 19622
3057 1 7 . 1 1 32 32 ASP N N 32 121.884 121.884 119.578 2.306 19622
3058 1 7 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.551 0.358 19622
3059 1 7 . 1 1 32 32 ASP C C 32 174.882 174.882 175.358 -0.476 19622
3060 1 7 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.663 -0.544 19622
3061 1 7 . 1 1 32 32 ASP CB C 32 41.068 41.068 39.649 1.419 19622
3062 1 7 . 1 1 32 32 ASP H H 32 8.418 8.418 8.526 -0.108 19622
3063 1 7 . 1 1 33 33 LEU N N 33 124.734 124.734 121.598 3.136 19622
3064 1 7 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.585 0.080 19622
3065 1 7 . 1 1 33 33 LEU CA C 33 51.940 51.940 52.635 -0.695 19622
3066 1 7 . 1 1 33 33 LEU CB C 33 42.403 42.403 43.370 -0.967 19622
3067 1 7 . 1 1 33 33 LEU H H 33 8.088 8.088 7.210 0.878 19622
3068 1 7 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.523 -0.151 19622
3069 1 7 . 1 1 34 34 PRO CA C 34 62.760 62.760 62.806 -0.046 19622
3070 1 7 . 1 1 34 34 PRO CB C 34 32.298 32.298 32.393 -0.095 19622
3071 1 7 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.384 0.345 19622
3072 1 7 . 1 1 46 46 ALA C C 46 178.058 178.058 177.374 0.684 19622
3073 1 7 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.163 2.041 19622
3074 1 7 . 1 1 46 46 ALA CB C 46 18.088 18.088 19.300 -1.212 19622
3075 1 7 . 1 1 47 47 GLY N N 47 112.650 112.650 112.125 0.525 19622
3076 1 7 . 1 1 47 47 GLY C C 47 178.913 178.913 172.699 6.214 19622
3077 1 7 . 1 1 47 47 GLY CA C 47 44.047 44.047 45.015 -0.968 19622
3078 1 7 . 1 1 47 47 GLY H H 47 9.815 9.815 8.332 1.483 19622
3079 1 7 . 1 1 48 48 LYS N N 48 120.076 120.076 120.360 -0.284 19622
3080 1 7 . 1 1 48 48 LYS HA H 48 4.936 4.936 4.881 0.055 19622
3081 1 7 . 1 1 48 48 LYS C C 48 175.432 175.432 175.466 -0.034 19622
3082 1 7 . 1 1 48 48 LYS CA C 48 54.866 54.866 54.398 0.469 19622
3083 1 7 . 1 1 48 48 LYS CB C 48 36.588 36.588 35.985 0.603 19622
3084 1 7 . 1 1 48 48 LYS H H 48 9.129 9.129 9.023 0.106 19622
3085 1 7 . 1 1 49 49 VAL N N 49 127.642 127.642 127.372 0.270 19622
3086 1 7 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.873 0.067 19622
3087 1 7 . 1 1 49 49 VAL C C 49 175.133 175.133 175.674 -0.541 19622
3088 1 7 . 1 1 49 49 VAL CA C 49 63.365 63.365 63.861 -0.496 19622
3089 1 7 . 1 1 49 49 VAL CB C 49 31.981 31.981 31.563 0.418 19622
3090 1 7 . 1 1 49 49 VAL H H 49 9.523 9.523 9.015 0.508 19622
3091 1 7 . 1 1 50 50 ALA N N 50 102.132 102.132 130.665 -28.533 19622
3092 1 7 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.563 -0.130 19622
3093 1 7 . 1 1 50 50 ALA C C 50 177.108 177.108 177.049 0.059 19622
3094 1 7 . 1 1 50 50 ALA CA C 50 52.234 52.234 53.379 -1.145 19622
3095 1 7 . 1 1 50 50 ALA CB C 50 19.925 19.925 19.773 0.152 19622
3096 1 7 . 1 1 50 50 ALA H H 50 8.792 8.792 8.507 0.285 19622
3097 1 7 . 1 1 51 51 ALA N N 51 119.480 119.480 118.331 1.149 19622
3098 1 7 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.634 -0.134 19622
3099 1 7 . 1 1 51 51 ALA C C 51 176.563 176.563 176.901 -0.338 19622
3100 1 7 . 1 1 51 51 ALA CA C 51 52.396 52.396 50.664 1.732 19622
3101 1 7 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.506 1.202 19622
3102 1 7 . 1 1 51 51 ALA H H 51 7.745 7.745 7.965 -0.220 19622
3103 1 7 . 1 1 52 52 GLY N N 52 108.710 108.710 107.396 1.314 19622
3104 1 7 . 1 1 52 52 GLY C C 52 172.018 172.018 173.686 -1.668 19622
3105 1 7 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.543 -1.514 19622
3106 1 7 . 1 1 52 52 GLY H H 52 8.516 8.516 8.526 -0.010 19622
3107 1 7 . 1 1 53 53 THR N N 53 106.654 106.654 111.715 -5.061 19622
3108 1 7 . 1 1 53 53 THR HA H 53 4.707 4.707 4.499 0.208 19622
3109 1 7 . 1 1 53 53 THR C C 53 173.198 173.198 172.772 0.426 19622
3110 1 7 . 1 1 53 53 THR CA C 53 59.740 59.740 60.499 -0.759 19622
3111 1 7 . 1 1 53 53 THR CB C 53 72.296 72.296 71.932 0.364 19622
3112 1 7 . 1 1 53 53 THR H H 53 7.932 7.932 7.921 0.011 19622
3113 1 7 . 1 1 54 54 VAL N N 54 110.217 110.217 114.366 -4.149 19622
3114 1 7 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.680 0.350 19622
3115 1 7 . 1 1 54 54 VAL C C 54 174.681 174.681 174.196 0.485 19622
3116 1 7 . 1 1 54 54 VAL CA C 54 58.343 58.343 59.404 -1.061 19622
3117 1 7 . 1 1 54 54 VAL CB C 54 36.031 36.031 35.265 0.766 19622
3118 1 7 . 1 1 54 54 VAL H H 54 8.211 8.211 8.114 0.097 19622
3119 1 7 . 1 1 55 55 ASP N N 55 121.085 121.085 120.773 0.312 19622
3120 1 7 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.778 0.241 19622
3121 1 7 . 1 1 55 55 ASP C C 55 175.900 175.900 174.973 0.927 19622
3122 1 7 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.447 -0.267 19622
3123 1 7 . 1 1 55 55 ASP CB C 55 43.430 43.430 40.893 2.537 19622
3124 1 7 . 1 1 55 55 ASP H H 55 9.535 9.535 8.759 0.776 19622
3125 1 7 . 1 1 56 56 GLN N N 56 124.248 124.248 124.338 -0.090 19622
3126 1 7 . 1 1 56 56 GLN HA H 56 5.532 5.532 4.623 0.909 19622
3127 1 7 . 1 1 56 56 GLN C C 56 176.233 176.233 175.906 0.327 19622
3128 1 7 . 1 1 56 56 GLN CA C 56 53.067 53.067 54.281 -1.214 19622
3129 1 7 . 1 1 56 56 GLN CB C 56 28.423 28.423 27.888 0.535 19622
3130 1 7 . 1 1 56 56 GLN H H 56 9.270 9.270 8.202 1.068 19622
3131 1 7 . 1 1 57 57 SER N N 57 118.299 118.299 117.199 1.100 19622
3132 1 7 . 1 1 57 57 SER HA H 57 4.234 4.234 4.185 0.049 19622
3133 1 7 . 1 1 57 57 SER C C 57 175.154 175.154 175.061 0.093 19622
3134 1 7 . 1 1 57 57 SER CA C 57 62.676 62.676 60.626 2.050 19622
3135 1 7 . 1 1 57 57 SER CB C 57 63.213 63.213 63.086 0.127 19622
3136 1 7 . 1 1 57 57 SER H H 57 8.491 8.491 8.160 0.331 19622
3137 1 7 . 1 1 58 58 ASP N N 58 119.055 119.055 118.906 0.149 19622
3138 1 7 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.601 0.118 19622
3139 1 7 . 1 1 58 58 ASP C C 58 176.196 176.196 174.993 1.203 19622
3140 1 7 . 1 1 58 58 ASP CA C 58 55.408 55.408 53.264 2.143 19622
3141 1 7 . 1 1 58 58 ASP CB C 58 40.293 40.293 38.556 1.738 19622
3142 1 7 . 1 1 58 58 ASP H H 58 8.885 8.885 8.599 0.286 19622
3143 1 7 . 1 1 59 59 GLN N N 59 122.287 122.287 120.270 2.017 19622
3144 1 7 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.251 -0.036 19622
3145 1 7 . 1 1 59 59 GLN C C 59 174.169 174.169 176.867 -2.698 19622
3146 1 7 . 1 1 59 59 GLN CA C 59 55.943 55.943 55.483 0.460 19622
3147 1 7 . 1 1 59 59 GLN CB C 59 29.290 29.290 30.377 -1.087 19622
3148 1 7 . 1 1 59 59 GLN H H 59 8.394 8.394 7.509 0.885 19622
3149 1 7 . 1 1 60 60 SER N N 60 113.844 113.844 120.002 -6.158 19622
3150 1 7 . 1 1 60 60 SER HA H 60 4.729 4.729 4.300 0.429 19622
3151 1 7 . 1 1 60 60 SER C C 60 173.467 173.467 175.129 -1.662 19622
3152 1 7 . 1 1 60 60 SER CA C 60 58.201 58.201 60.710 -2.509 19622
3153 1 7 . 1 1 60 60 SER CB C 60 65.221 65.221 63.216 2.005 19622
3154 1 7 . 1 1 60 60 SER H H 60 8.871 8.871 8.612 0.259 19622
3155 1 7 . 1 1 61 61 PHE N N 61 123.610 123.610 115.892 7.718 19622
3156 1 7 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.789 -0.392 19622
3157 1 7 . 1 1 61 61 PHE C C 61 176.268 176.268 174.693 1.575 19622
3158 1 7 . 1 1 61 61 PHE CA C 61 60.986 60.986 55.822 5.164 19622
3159 1 7 . 1 1 61 61 PHE CB C 61 43.362 43.362 38.917 4.445 19622
3160 1 7 . 1 1 61 61 PHE H H 61 7.691 7.691 7.691 0.000 19622
3161 1 7 . 1 1 62 62 LEU N N 62 121.203 121.203 122.269 -1.066 19622
3162 1 7 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.255 0.091 19622
3163 1 7 . 1 1 62 62 LEU C C 62 177.920 177.920 175.172 2.748 19622
3164 1 7 . 1 1 62 62 LEU CA C 62 54.152 54.152 54.408 -0.256 19622
3165 1 7 . 1 1 62 62 LEU CB C 62 42.638 42.638 43.500 -0.862 19622
3166 1 7 . 1 1 62 62 LEU H H 62 10.705 10.705 7.430 3.275 19622
3167 1 7 . 1 1 63 63 ASP N N 63 121.418 121.418 123.024 -1.606 19622
3168 1 7 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.807 -0.127 19622
3169 1 7 . 1 1 63 63 ASP C C 63 176.479 176.479 176.662 -0.183 19622
3170 1 7 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.067 -1.329 19622
3171 1 7 . 1 1 63 63 ASP CB C 63 41.706 41.706 43.930 -2.224 19622
3172 1 7 . 1 1 63 63 ASP H H 63 8.672 8.672 8.166 0.506 19622
3173 1 7 . 1 1 64 64 ASP N N 64 117.220 117.220 121.096 -3.876 19622
3174 1 7 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.243 0.040 19622
3175 1 7 . 1 1 64 64 ASP C C 64 179.309 179.309 177.820 1.489 19622
3176 1 7 . 1 1 64 64 ASP CA C 64 57.917 57.917 58.278 -0.361 19622
3177 1 7 . 1 1 64 64 ASP CB C 64 40.862 40.862 40.980 -0.118 19622
3178 1 7 . 1 1 64 64 ASP H H 64 8.282 8.282 8.711 -0.429 19622
3179 1 7 . 1 1 65 65 ALA N N 65 125.398 125.398 121.339 4.059 19622
3180 1 7 . 1 1 65 65 ALA HA H 65 4.137 4.137 4.097 0.040 19622
3181 1 7 . 1 1 65 65 ALA C C 65 180.917 180.917 179.904 1.013 19622
3182 1 7 . 1 1 65 65 ALA CA C 65 54.858 54.858 54.793 0.065 19622
3183 1 7 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.137 -0.388 19622
3184 1 7 . 1 1 65 65 ALA H H 65 8.215 8.215 8.386 -0.171 19622
3185 1 7 . 1 1 66 66 GLN N N 66 119.386 119.386 116.981 2.405 19622
3186 1 7 . 1 1 66 66 GLN HA H 66 4.315 4.315 4.080 0.235 19622
3187 1 7 . 1 1 66 66 GLN C C 66 180.587 180.587 178.179 2.408 19622
3188 1 7 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.476 0.575 19622
3189 1 7 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.290 0.437 19622
3190 1 7 . 1 1 66 66 GLN H H 66 8.821 8.821 7.736 1.085 19622
3191 1 7 . 1 1 67 67 MET N N 67 118.975 118.975 120.598 -1.623 19622
3192 1 7 . 1 1 67 67 MET HA H 67 4.432 4.432 4.331 0.101 19622
3193 1 7 . 1 1 67 67 MET C C 67 181.267 181.267 178.228 3.039 19622
3194 1 7 . 1 1 67 67 MET CA C 67 59.988 59.988 58.762 1.226 19622
3195 1 7 . 1 1 67 67 MET CB C 67 33.535 33.535 32.562 0.973 19622
3196 1 7 . 1 1 67 67 MET H H 67 8.504 8.504 7.851 0.653 19622
3197 1 7 . 1 1 68 68 GLY N N 68 110.904 110.904 105.817 5.087 19622
3198 1 7 . 1 1 68 68 GLY C C 68 174.778 174.778 175.715 -0.937 19622
3199 1 7 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.553 0.134 19622
3200 1 7 . 1 1 68 68 GLY H H 68 8.697 8.697 7.817 0.880 19622
3201 1 7 . 1 1 69 69 ASN N N 69 118.203 118.203 118.908 -0.705 19622
3202 1 7 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.405 0.487 19622
3203 1 7 . 1 1 69 69 ASN C C 69 174.610 174.610 175.253 -0.643 19622
3204 1 7 . 1 1 69 69 ASN CA C 69 53.121 53.121 53.456 -0.335 19622
3205 1 7 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.648 0.747 19622
3206 1 7 . 1 1 69 69 ASN H H 69 7.536 7.536 7.935 -0.399 19622
3207 1 7 . 1 1 70 70 GLY N N 70 104.994 104.994 105.728 -0.734 19622
3208 1 7 . 1 1 70 70 GLY C C 70 174.423 174.423 173.595 0.828 19622
3209 1 7 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.743 0.435 19622
3210 1 7 . 1 1 70 70 GLY H H 70 7.725 7.725 7.473 0.252 19622
3211 1 7 . 1 1 71 71 PHE N N 71 117.987 117.987 120.057 -2.070 19622
3212 1 7 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.832 0.209 19622
3213 1 7 . 1 1 71 71 PHE C C 71 175.618 175.618 174.224 1.394 19622
3214 1 7 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.868 4.622 19622
3215 1 7 . 1 1 71 71 PHE CB C 71 39.860 39.860 40.608 -0.748 19622
3216 1 7 . 1 1 71 71 PHE H H 71 7.750 7.750 8.031 -0.281 19622
3217 1 7 . 1 1 72 72 VAL N N 72 117.069 117.069 116.909 0.160 19622
3218 1 7 . 1 1 72 72 VAL HA H 72 5.073 5.073 4.881 0.192 19622
3219 1 7 . 1 1 72 72 VAL CA C 72 57.273 57.273 59.485 -2.212 19622
3220 1 7 . 1 1 72 72 VAL CB C 72 34.219 34.219 35.470 -1.251 19622
3221 1 7 . 1 1 72 72 VAL H H 72 8.578 8.578 9.055 -0.477 19622
3222 1 7 . 1 1 76 76 VAL HA H 76 2.939 2.939 4.282 -1.343 19622
3223 1 7 . 1 1 76 76 VAL C C 76 172.825 172.825 173.845 -1.020 19622
3224 1 7 . 1 1 76 76 VAL CA C 76 59.273 59.273 61.541 -2.268 19622
3225 1 7 . 1 1 76 76 VAL CB C 76 31.330 31.330 31.027 0.303 19622
3226 1 7 . 1 1 77 77 ALA N N 77 120.939 120.939 123.004 -2.065 19622
3227 1 7 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.163 -0.022 19622
3228 1 7 . 1 1 77 77 ALA C C 77 175.744 175.744 175.247 0.497 19622
3229 1 7 . 1 1 77 77 ALA CA C 77 49.687 49.687 51.036 -1.349 19622
3230 1 7 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.512 -0.173 19622
3231 1 7 . 1 1 77 77 ALA H H 77 6.318 6.318 7.685 -1.367 19622
3232 1 7 . 1 1 78 78 TYR N N 78 122.466 122.466 116.930 5.536 19622
3233 1 7 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.103 0.277 19622
3234 1 7 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.353 0.043 19622
3235 1 7 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.335 0.325 19622
3236 1 7 . 1 1 78 78 TYR H H 78 9.113 9.113 7.610 1.503 19622
3237 1 7 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.676 0.068 19622
3238 1 7 . 1 1 79 79 PRO C C 79 176.434 176.434 177.063 -0.629 19622
3239 1 7 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.916 0.429 19622
3240 1 7 . 1 1 79 79 PRO CB C 79 31.141 31.141 31.989 -0.848 19622
3241 1 7 . 1 1 80 80 THR N N 80 110.712 110.712 112.805 -2.093 19622
3242 1 7 . 1 1 80 80 THR HA H 80 4.204 4.204 4.031 0.173 19622
3243 1 7 . 1 1 80 80 THR C C 80 171.733 171.733 174.208 -2.475 19622
3244 1 7 . 1 1 80 80 THR CA C 80 60.121 60.121 62.009 -1.888 19622
3245 1 7 . 1 1 80 80 THR CB C 80 68.267 68.267 69.126 -0.859 19622
3246 1 7 . 1 1 80 80 THR H H 80 8.470 8.470 8.188 0.282 19622
3247 1 7 . 1 1 81 81 SER N N 81 114.994 114.994 115.786 -0.792 19622
3248 1 7 . 1 1 81 81 SER HA H 81 3.869 3.869 4.445 -0.576 19622
3249 1 7 . 1 1 81 81 SER C C 81 172.754 172.754 172.082 0.672 19622
3250 1 7 . 1 1 81 81 SER CA C 81 57.892 57.892 56.604 1.288 19622
3251 1 7 . 1 1 81 81 SER CB C 81 66.405 66.405 65.505 0.900 19622
3252 1 7 . 1 1 81 81 SER H H 81 7.604 7.604 7.233 0.371 19622
3253 1 7 . 1 1 82 82 ASP N N 82 120.462 120.462 120.232 0.230 19622
3254 1 7 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.777 0.387 19622
3255 1 7 . 1 1 82 82 ASP C C 82 178.987 178.987 175.587 3.400 19622
3256 1 7 . 1 1 82 82 ASP CA C 82 56.313 56.313 54.277 2.036 19622
3257 1 7 . 1 1 82 82 ASP CB C 82 39.386 39.386 40.733 -1.347 19622
3258 1 7 . 1 1 82 82 ASP H H 82 8.690 8.690 8.626 0.064 19622
3259 1 7 . 1 1 83 83 CYS N N 83 120.974 120.974 118.475 2.499 19622
3260 1 7 . 1 1 83 83 CYS HA H 83 5.139 5.139 5.002 0.137 19622
3261 1 7 . 1 1 83 83 CYS C C 83 172.614 172.614 173.363 -0.749 19622
3262 1 7 . 1 1 83 83 CYS CA C 83 56.370 56.370 56.215 0.155 19622
3263 1 7 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.601 -0.051 19622
3264 1 7 . 1 1 83 83 CYS H H 83 8.922 8.922 8.425 0.497 19622
3265 1 7 . 1 1 84 84 THR N N 84 116.819 116.819 116.401 0.418 19622
3266 1 7 . 1 1 84 84 THR HA H 84 5.464 5.464 4.918 0.546 19622
3267 1 7 . 1 1 84 84 THR C C 84 173.477 173.477 172.966 0.511 19622
3268 1 7 . 1 1 84 84 THR CA C 84 61.171 61.171 62.486 -1.315 19622
3269 1 7 . 1 1 84 84 THR CB C 84 70.791 70.791 70.500 0.291 19622
3270 1 7 . 1 1 84 84 THR H H 84 8.637 8.637 8.165 0.472 19622
3271 1 7 . 1 1 85 85 ILE N N 85 127.705 127.705 126.976 0.729 19622
3272 1 7 . 1 1 85 85 ILE HA H 85 4.831 4.831 4.895 -0.064 19622
3273 1 7 . 1 1 85 85 ILE C C 85 174.828 174.828 175.742 -0.914 19622
3274 1 7 . 1 1 85 85 ILE CA C 85 57.901 57.901 58.178 -0.277 19622
3275 1 7 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.278 2.289 19622
3276 1 7 . 1 1 85 85 ILE H H 85 9.433 9.433 9.145 0.288 19622
3277 1 7 . 1 1 86 86 GLN N N 86 128.424 128.424 128.974 -0.550 19622
3278 1 7 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.584 0.497 19622
3279 1 7 . 1 1 86 86 GLN C C 86 176.145 176.145 177.262 -1.117 19622
3280 1 7 . 1 1 86 86 GLN CA C 86 54.821 54.821 57.349 -2.528 19622
3281 1 7 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.640 -0.951 19622
3282 1 7 . 1 1 86 86 GLN H H 86 9.533 9.533 9.259 0.274 19622
3283 1 7 . 1 1 87 87 THR N N 87 117.634 117.634 119.585 -1.951 19622
3284 1 7 . 1 1 87 87 THR HA H 87 4.600 4.600 4.541 0.059 19622
3285 1 7 . 1 1 87 87 THR C C 87 175.822 175.822 176.697 -0.875 19622
3286 1 7 . 1 1 87 87 THR CA C 87 62.643 62.643 63.939 -1.296 19622
3287 1 7 . 1 1 87 87 THR CB C 87 68.604 68.604 69.003 -0.399 19622
3288 1 7 . 1 1 87 87 THR H H 87 8.292 8.292 9.081 -0.789 19622
3289 1 7 . 1 1 88 88 HIS N N 88 117.083 117.083 120.308 -3.225 19622
3290 1 7 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.537 0.043 19622
3291 1 7 . 1 1 88 88 HIS C C 88 177.884 177.884 175.222 2.662 19622
3292 1 7 . 1 1 88 88 HIS CA C 88 58.580 58.580 57.275 1.305 19622
3293 1 7 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.021 -1.681 19622
3294 1 7 . 1 1 88 88 HIS H H 88 9.658 9.658 8.872 0.786 19622
3295 1 7 . 1 1 89 89 GLN N N 89 112.869 112.869 117.887 -5.018 19622
3296 1 7 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.638 0.097 19622
3297 1 7 . 1 1 89 89 GLN C C 89 175.239 175.239 176.850 -1.611 19622
3298 1 7 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.571 -0.622 19622
3299 1 7 . 1 1 89 89 GLN CB C 89 29.312 29.312 27.507 1.805 19622
3300 1 7 . 1 1 89 89 GLN H H 89 7.591 7.591 8.030 -0.439 19622
3301 1 7 . 1 1 90 90 GLU N N 90 122.583 122.583 121.764 0.819 19622
3302 1 7 . 1 1 90 90 GLU HA H 90 3.588 3.588 3.960 -0.372 19622
3303 1 7 . 1 1 90 90 GLU C C 90 177.210 177.210 177.879 -0.669 19622
3304 1 7 . 1 1 90 90 GLU CA C 90 61.485 61.485 59.551 1.934 19622
3305 1 7 . 1 1 90 90 GLU CB C 90 29.147 29.147 28.150 0.997 19622
3306 1 7 . 1 1 90 90 GLU H H 90 8.327 8.327 8.572 -0.245 19622
3307 1 7 . 1 1 91 91 GLU N N 91 115.209 115.209 120.898 -5.689 19622
3308 1 7 . 1 1 91 91 GLU HA H 91 4.041 4.041 4.066 -0.025 19622
3309 1 7 . 1 1 91 91 GLU C C 91 179.055 179.055 178.118 0.937 19622
3310 1 7 . 1 1 91 91 GLU CA C 91 59.647 59.647 58.493 1.154 19622
3311 1 7 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.343 -0.517 19622
3312 1 7 . 1 1 91 91 GLU H H 91 8.666 8.666 8.437 0.230 19622
3313 1 7 . 1 1 92 92 ALA N N 92 121.790 121.790 121.107 0.683 19622
3314 1 7 . 1 1 92 92 ALA HA H 92 4.212 4.212 3.798 0.414 19622
3315 1 7 . 1 1 92 92 ALA C C 92 179.762 179.762 178.993 0.769 19622
3316 1 7 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.561 -0.361 19622
3317 1 7 . 1 1 92 92 ALA CB C 92 16.917 16.917 17.945 -1.028 19622
3318 1 7 . 1 1 92 92 ALA H H 92 7.628 7.628 8.062 -0.434 19622
3319 1 7 . 1 1 93 93 LEU N N 93 119.699 119.699 117.733 1.966 19622
3320 1 7 . 1 1 93 93 LEU HA H 93 3.263 3.263 3.830 -0.567 19622
3321 1 7 . 1 1 93 93 LEU C C 93 177.803 177.803 177.731 0.072 19622
3322 1 7 . 1 1 93 93 LEU CA C 93 57.031 57.031 57.220 -0.189 19622
3323 1 7 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.549 -0.239 19622
3324 1 7 . 1 1 93 93 LEU H H 93 7.694 7.694 7.211 0.483 19622
3325 1 7 . 1 1 94 94 TYR N N 94 116.307 116.307 118.490 -2.183 19622
3326 1 7 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.435 -0.061 19622
3327 1 7 . 1 1 94 94 TYR C C 94 176.548 176.548 176.159 0.389 19622
3328 1 7 . 1 1 94 94 TYR CA C 94 58.822 58.822 60.456 -1.635 19622
3329 1 7 . 1 1 94 94 TYR CB C 94 38.500 38.500 39.467 -0.966 19622
3330 1 7 . 1 1 94 94 TYR H H 94 7.343 7.343 7.487 -0.144 19622
3331 1 7 . 1 1 95 95 GLU N N 95 120.194 120.194 116.026 4.168 19622
3332 1 7 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.185 -0.024 19622
3333 1 7 . 1 1 95 95 GLU C C 95 176.704 176.704 175.603 1.101 19622
3334 1 7 . 1 1 95 95 GLU CA C 95 57.795 57.795 56.771 1.024 19622
3335 1 7 . 1 1 95 95 GLU CB C 95 30.121 30.121 32.046 -1.925 19622
3336 1 7 . 1 1 95 95 GLU H H 95 7.707 7.707 8.642 -0.935 19622
3337 1 7 . 1 1 96 96 ASN N N 96 118.074 118.074 113.379 4.695 19622
3338 1 7 . 1 1 96 96 ASN HA H 96 4.580 4.580 4.521 0.059 19622
3339 1 7 . 1 1 96 96 ASN C C 96 176.061 176.061 175.095 0.966 19622
3340 1 7 . 1 1 96 96 ASN CA C 96 54.092 54.092 53.184 0.908 19622
3341 1 7 . 1 1 96 96 ASN CB C 96 38.864 38.864 38.794 0.070 19622
3342 1 7 . 1 1 96 96 ASN H H 96 8.195 8.195 7.969 0.226 19622
3343 1 7 . 1 1 97 97 LEU N N 97 120.760 120.760 118.171 2.589 19622
3344 1 7 . 1 1 97 97 LEU HA H 97 4.142 4.142 3.696 0.446 19622
3345 1 7 . 1 1 97 97 LEU C C 97 177.094 177.094 174.932 2.162 19622
3346 1 7 . 1 1 97 97 LEU CA C 97 55.429 55.429 55.718 -0.289 19622
3347 1 7 . 1 1 97 97 LEU CB C 97 42.562 42.562 40.472 2.090 19622
3348 1 7 . 1 1 97 97 LEU H H 97 7.912 7.912 8.018 -0.105 19622
3349 1 7 . 1 1 98 98 TYR N N 98 118.892 118.892 111.531 7.361 19622
3350 1 7 . 1 1 98 98 TYR HA H 98 4.520 4.520 4.141 0.379 19622
3351 1 7 . 1 1 98 98 TYR C C 98 175.296 175.296 176.277 -0.981 19622
3352 1 7 . 1 1 98 98 TYR CA C 98 57.640 57.640 59.084 -1.444 19622
3353 1 7 . 1 1 98 98 TYR CB C 98 38.660 38.660 36.040 2.620 19622
3354 1 7 . 1 1 98 98 TYR H H 98 7.898 7.898 7.571 0.327 19622
3355 1 7 . 1 1 99 99 PHE N N 99 121.225 121.225 118.053 3.172 19622
3356 1 7 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.502 -0.024 19622
3357 1 7 . 1 1 99 99 PHE C C 99 174.558 174.558 176.703 -2.145 19622
3358 1 7 . 1 1 99 99 PHE CA C 99 58.151 58.151 59.635 -1.484 19622
3359 1 7 . 1 1 99 99 PHE CB C 99 39.561 39.561 40.025 -0.464 19622
3360 1 7 . 1 1 99 99 PHE H H 99 7.931 7.931 7.743 0.188 19622
3361 1 8 . 1 1 1 1 TYR N N 1 121.776 121.776 117.123 4.653 19622
3362 1 8 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.866 0.034 19622
3363 1 8 . 1 1 1 1 TYR C C 1 174.477 174.477 175.020 -0.543 19622
3364 1 8 . 1 1 1 1 TYR CA C 1 57.340 57.340 57.142 0.198 19622
3365 1 8 . 1 1 1 1 TYR CB C 1 40.147 40.147 42.501 -2.354 19622
3366 1 8 . 1 1 1 1 TYR H H 1 8.204 8.204 8.721 -0.517 19622
3367 1 8 . 1 1 2 2 LYS N N 2 122.911 122.911 122.791 0.120 19622
3368 1 8 . 1 1 2 2 LYS HA H 2 4.719 4.719 5.173 -0.454 19622
3369 1 8 . 1 1 2 2 LYS C C 2 176.369 176.369 175.622 0.747 19622
3370 1 8 . 1 1 2 2 LYS CA C 2 55.408 55.408 55.518 -0.110 19622
3371 1 8 . 1 1 2 2 LYS CB C 2 32.636 32.636 33.268 -0.632 19622
3372 1 8 . 1 1 2 2 LYS H H 2 9.291 9.291 9.700 -0.409 19622
3373 1 8 . 1 1 3 3 VAL N N 3 128.453 128.453 125.912 2.541 19622
3374 1 8 . 1 1 3 3 VAL HA H 3 4.974 4.974 5.121 -0.147 19622
3375 1 8 . 1 1 3 3 VAL C C 3 175.283 175.283 174.790 0.493 19622
3376 1 8 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.395 1.006 19622
3377 1 8 . 1 1 3 3 VAL CB C 3 33.332 33.332 34.416 -1.084 19622
3378 1 8 . 1 1 3 3 VAL H H 3 9.268 9.268 8.341 0.927 19622
3379 1 8 . 1 1 4 4 THR N N 4 126.298 126.298 125.795 0.503 19622
3380 1 8 . 1 1 4 4 THR HA H 4 4.316 4.316 4.646 -0.330 19622
3381 1 8 . 1 1 4 4 THR C C 4 172.907 172.907 174.223 -1.316 19622
3382 1 8 . 1 1 4 4 THR CA C 4 63.342 63.342 62.503 0.839 19622
3383 1 8 . 1 1 4 4 THR CB C 4 69.170 69.170 68.415 0.755 19622
3384 1 8 . 1 1 4 4 THR H H 4 9.623 9.623 9.115 0.508 19622
3385 1 8 . 1 1 5 5 LEU N N 5 130.058 130.058 130.353 -0.295 19622
3386 1 8 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.808 0.365 19622
3387 1 8 . 1 1 5 5 LEU C C 5 174.969 174.969 176.252 -1.283 19622
3388 1 8 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.825 -2.104 19622
3389 1 8 . 1 1 5 5 LEU CB C 5 41.530 41.530 42.981 -1.451 19622
3390 1 8 . 1 1 5 5 LEU H H 5 9.554 9.554 9.363 0.191 19622
3391 1 8 . 1 1 6 6 LYS N N 6 124.882 124.882 124.811 0.071 19622
3392 1 8 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.520 0.364 19622
3393 1 8 . 1 1 6 6 LYS C C 6 175.730 175.730 176.150 -0.420 19622
3394 1 8 . 1 1 6 6 LYS CA C 6 55.335 55.335 55.182 0.153 19622
3395 1 8 . 1 1 6 6 LYS CB C 6 31.006 31.006 31.936 -0.930 19622
3396 1 8 . 1 1 6 6 LYS H H 6 9.072 9.072 8.882 0.190 19622
3397 1 8 . 1 1 7 7 THR N N 7 117.987 117.987 117.564 0.423 19622
3398 1 8 . 1 1 7 7 THR HA H 7 5.708 5.708 5.157 0.551 19622
3399 1 8 . 1 1 7 7 THR CA C 7 59.875 59.875 58.742 1.133 19622
3400 1 8 . 1 1 7 7 THR CB C 7 69.582 69.582 69.686 -0.104 19622
3401 1 8 . 1 1 7 7 THR H H 7 7.750 7.750 8.552 -0.802 19622
3402 1 8 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.267 0.067 19622
3403 1 8 . 1 1 8 8 PRO C C 8 177.136 177.136 176.844 0.292 19622
3404 1 8 . 1 1 8 8 PRO CA C 8 64.777 64.777 64.484 0.293 19622
3405 1 8 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.750 -0.016 19622
3406 1 8 . 1 1 9 9 SER N N 9 109.200 109.200 111.216 -2.016 19622
3407 1 8 . 1 1 9 9 SER HA H 9 4.629 4.629 4.470 0.159 19622
3408 1 8 . 1 1 9 9 SER C C 9 173.571 173.571 174.902 -1.331 19622
3409 1 8 . 1 1 9 9 SER CA C 9 57.371 57.371 58.331 -0.960 19622
3410 1 8 . 1 1 9 9 SER CB C 9 63.513 63.513 64.271 -0.758 19622
3411 1 8 . 1 1 9 9 SER H H 9 7.739 7.739 7.833 -0.095 19622
3412 1 8 . 1 1 10 10 GLY N N 10 110.027 110.027 109.165 0.862 19622
3413 1 8 . 1 1 10 10 GLY C C 10 174.096 174.096 171.621 2.475 19622
3414 1 8 . 1 1 10 10 GLY CA C 10 43.987 43.987 44.749 -0.762 19622
3415 1 8 . 1 1 10 10 GLY H H 10 7.526 7.526 7.571 -0.045 19622
3416 1 8 . 1 1 11 11 ASP N N 11 123.154 123.154 118.792 4.362 19622
3417 1 8 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.722 -0.052 19622
3418 1 8 . 1 1 11 11 ASP C C 11 176.750 176.750 175.841 0.909 19622
3419 1 8 . 1 1 11 11 ASP CA C 11 53.710 53.710 52.682 1.028 19622
3420 1 8 . 1 1 11 11 ASP CB C 11 41.085 41.085 43.039 -1.954 19622
3421 1 8 . 1 1 11 11 ASP H H 11 8.808 8.808 8.334 0.474 19622
3422 1 8 . 1 1 12 12 LYS N N 12 123.685 123.685 123.026 0.659 19622
3423 1 8 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.697 -0.019 19622
3424 1 8 . 1 1 12 12 LYS C C 12 174.777 174.777 174.650 0.127 19622
3425 1 8 . 1 1 12 12 LYS CA C 12 55.024 55.024 55.136 -0.112 19622
3426 1 8 . 1 1 12 12 LYS CB C 12 36.206 36.206 36.749 -0.543 19622
3427 1 8 . 1 1 12 12 LYS H H 12 9.108 9.108 8.865 0.243 19622
3428 1 8 . 1 1 13 13 THR N N 13 122.136 122.136 122.189 -0.053 19622
3429 1 8 . 1 1 13 13 THR HA H 13 5.314 5.314 5.079 0.235 19622
3430 1 8 . 1 1 13 13 THR C C 13 174.082 174.082 174.882 -0.800 19622
3431 1 8 . 1 1 13 13 THR CA C 13 62.397 62.397 62.731 -0.334 19622
3432 1 8 . 1 1 13 13 THR CB C 13 69.809 69.809 68.921 0.888 19622
3433 1 8 . 1 1 13 13 THR H H 13 8.935 8.935 8.365 0.570 19622
3434 1 8 . 1 1 14 14 ILE N N 14 122.466 122.466 121.443 1.023 19622
3435 1 8 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.666 0.162 19622
3436 1 8 . 1 1 14 14 ILE C C 14 174.083 174.083 174.407 -0.324 19622
3437 1 8 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.629 -0.173 19622
3438 1 8 . 1 1 14 14 ILE CB C 14 41.510 41.510 41.493 0.017 19622
3439 1 8 . 1 1 14 14 ILE H H 14 9.113 9.113 8.874 0.239 19622
3440 1 8 . 1 1 15 15 GLU N N 15 121.208 121.208 121.304 -0.096 19622
3441 1 8 . 1 1 15 15 GLU HA H 15 4.928 4.928 4.905 0.023 19622
3442 1 8 . 1 1 15 15 GLU C C 15 175.553 175.553 175.371 0.182 19622
3443 1 8 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.425 -0.246 19622
3444 1 8 . 1 1 15 15 GLU CB C 15 31.093 31.093 30.173 0.920 19622
3445 1 8 . 1 1 15 15 GLU H H 15 8.510 8.510 8.488 0.022 19622
3446 1 8 . 1 1 16 16 CYS N N 16 125.232 125.232 123.976 1.256 19622
3447 1 8 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.944 0.142 19622
3448 1 8 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.720 -0.059 19622
3449 1 8 . 1 1 16 16 CYS CB C 16 31.298 31.298 29.740 1.558 19622
3450 1 8 . 1 1 16 16 CYS H H 16 9.306 9.306 8.704 0.602 19622
3451 1 8 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.315 0.220 19622
3452 1 8 . 1 1 17 17 PRO C C 17 175.733 175.733 176.526 -0.793 19622
3453 1 8 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.404 -0.514 19622
3454 1 8 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.252 0.890 19622
3455 1 8 . 1 1 18 18 ALA N N 18 120.277 120.277 120.914 -0.637 19622
3456 1 8 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.184 0.068 19622
3457 1 8 . 1 1 18 18 ALA C C 18 177.177 177.177 176.557 0.620 19622
3458 1 8 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.140 0.813 19622
3459 1 8 . 1 1 18 18 ALA CB C 18 19.449 19.449 19.230 0.220 19622
3460 1 8 . 1 1 18 18 ALA H H 18 8.622 8.622 8.316 0.306 19622
3461 1 8 . 1 1 19 19 ASP N N 19 112.081 112.081 113.543 -1.462 19622
3462 1 8 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.018 0.105 19622
3463 1 8 . 1 1 19 19 ASP C C 19 175.263 175.263 175.271 -0.008 19622
3464 1 8 . 1 1 19 19 ASP CA C 19 52.705 52.705 53.554 -0.849 19622
3465 1 8 . 1 1 19 19 ASP CB C 19 39.747 39.747 41.782 -2.034 19622
3466 1 8 . 1 1 19 19 ASP H H 19 7.950 7.950 7.633 0.317 19622
3467 1 8 . 1 1 20 20 THR N N 20 117.760 117.760 118.315 -0.555 19622
3468 1 8 . 1 1 20 20 THR HA H 20 4.555 4.555 4.340 0.215 19622
3469 1 8 . 1 1 20 20 THR C C 20 171.521 171.521 173.480 -1.959 19622
3470 1 8 . 1 1 20 20 THR CA C 20 61.849 61.849 61.169 0.680 19622
3471 1 8 . 1 1 20 20 THR CB C 20 72.498 72.498 70.683 1.815 19622
3472 1 8 . 1 1 20 20 THR H H 20 7.550 7.550 7.017 0.533 19622
3473 1 8 . 1 1 21 21 TYR N N 21 124.181 124.181 124.018 0.163 19622
3474 1 8 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.621 0.069 19622
3475 1 8 . 1 1 21 21 TYR C C 21 171.626 171.626 176.847 -5.221 19622
3476 1 8 . 1 1 21 21 TYR CA C 21 55.120 55.120 57.590 -2.470 19622
3477 1 8 . 1 1 21 21 TYR CB C 21 38.570 38.570 37.846 0.724 19622
3478 1 8 . 1 1 21 21 TYR H H 21 8.594 8.594 8.037 0.557 19622
3479 1 8 . 1 1 22 22 ILE N N 22 120.076 120.076 123.065 -2.989 19622
3480 1 8 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.736 -0.021 19622
3481 1 8 . 1 1 22 22 ILE C C 22 177.421 177.421 178.253 -0.832 19622
3482 1 8 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.416 0.025 19622
3483 1 8 . 1 1 22 22 ILE CB C 22 38.297 38.297 37.739 0.558 19622
3484 1 8 . 1 1 22 22 ILE H H 22 9.140 9.140 9.221 -0.081 19622
3485 1 8 . 1 1 23 23 LEU N N 23 115.378 115.378 116.582 -1.204 19622
3486 1 8 . 1 1 23 23 LEU HA H 23 3.869 3.869 4.054 -0.185 19622
3487 1 8 . 1 1 23 23 LEU C C 23 176.741 176.741 178.528 -1.787 19622
3488 1 8 . 1 1 23 23 LEU CA C 23 57.892 57.892 57.713 0.179 19622
3489 1 8 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.551 2.078 19622
3490 1 8 . 1 1 23 23 LEU H H 23 7.382 7.382 7.679 -0.297 19622
3491 1 8 . 1 1 24 24 ASP N N 24 116.687 116.687 120.614 -3.927 19622
3492 1 8 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.295 0.019 19622
3493 1 8 . 1 1 24 24 ASP C C 24 178.902 178.902 177.931 0.971 19622
3494 1 8 . 1 1 24 24 ASP CA C 24 57.792 57.792 58.007 -0.215 19622
3495 1 8 . 1 1 24 24 ASP CB C 24 39.971 39.971 40.927 -0.956 19622
3496 1 8 . 1 1 24 24 ASP H H 24 6.747 6.747 8.377 -1.630 19622
3497 1 8 . 1 1 25 25 ALA N N 25 122.742 122.742 122.409 0.333 19622
3498 1 8 . 1 1 25 25 ALA HA H 25 4.231 4.231 4.071 0.160 19622
3499 1 8 . 1 1 25 25 ALA C C 25 180.559 180.559 179.376 1.183 19622
3500 1 8 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.517 0.373 19622
3501 1 8 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.408 0.784 19622
3502 1 8 . 1 1 25 25 ALA H H 25 8.045 8.045 7.629 0.416 19622
3503 1 8 . 1 1 26 26 ALA N N 26 122.264 122.264 122.639 -0.375 19622
3504 1 8 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.965 -0.021 19622
3505 1 8 . 1 1 26 26 ALA C C 26 179.219 179.219 179.431 -0.212 19622
3506 1 8 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.411 0.014 19622
3507 1 8 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.616 0.080 19622
3508 1 8 . 1 1 26 26 ALA H H 26 8.701 8.701 8.482 0.219 19622
3509 1 8 . 1 1 27 27 GLU N N 27 119.508 119.508 116.928 2.580 19622
3510 1 8 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.127 0.176 19622
3511 1 8 . 1 1 27 27 GLU C C 27 169.931 169.931 178.640 -8.709 19622
3512 1 8 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.352 1.191 19622
3513 1 8 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.275 0.183 19622
3514 1 8 . 1 1 27 27 GLU H H 27 8.567 8.567 8.153 0.414 19622
3515 1 8 . 1 1 28 28 GLU N N 28 122.658 122.658 120.211 2.447 19622
3516 1 8 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.087 0.018 19622
3517 1 8 . 1 1 28 28 GLU C C 28 177.634 177.634 178.006 -0.372 19622
3518 1 8 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.644 0.620 19622
3519 1 8 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.239 -0.184 19622
3520 1 8 . 1 1 28 28 GLU H H 28 8.164 8.164 7.674 0.490 19622
3521 1 8 . 1 1 29 29 ALA N N 29 119.216 119.216 118.859 0.357 19622
3522 1 8 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.150 0.326 19622
3523 1 8 . 1 1 29 29 ALA C C 29 177.282 177.282 177.390 -0.108 19622
3524 1 8 . 1 1 29 29 ALA CA C 29 52.052 52.052 53.168 -1.116 19622
3525 1 8 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.603 -0.488 19622
3526 1 8 . 1 1 29 29 ALA H H 29 7.433 7.433 7.967 -0.534 19622
3527 1 8 . 1 1 30 30 GLY N N 30 106.654 106.654 104.355 2.299 19622
3528 1 8 . 1 1 30 30 GLY C C 30 174.629 174.629 174.966 -0.337 19622
3529 1 8 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.420 0.971 19622
3530 1 8 . 1 1 30 30 GLY H H 30 7.932 7.932 7.462 0.470 19622
3531 1 8 . 1 1 31 31 LEU N N 31 121.203 121.203 120.071 1.132 19622
3532 1 8 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.442 0.014 19622
3533 1 8 . 1 1 31 31 LEU C C 31 175.406 175.406 176.545 -1.139 19622
3534 1 8 . 1 1 31 31 LEU CA C 31 54.656 54.656 54.396 0.260 19622
3535 1 8 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.240 0.389 19622
3536 1 8 . 1 1 31 31 LEU H H 31 8.078 8.078 7.451 0.627 19622
3537 1 8 . 1 1 32 32 ASP N N 32 121.884 121.884 120.391 1.493 19622
3538 1 8 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.699 0.210 19622
3539 1 8 . 1 1 32 32 ASP C C 32 174.882 174.882 174.933 -0.051 19622
3540 1 8 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.731 -0.612 19622
3541 1 8 . 1 1 32 32 ASP CB C 32 41.068 41.068 40.857 0.211 19622
3542 1 8 . 1 1 32 32 ASP H H 32 8.418 8.418 8.803 -0.385 19622
3543 1 8 . 1 1 33 33 LEU N N 33 124.734 124.734 122.244 2.490 19622
3544 1 8 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.498 0.167 19622
3545 1 8 . 1 1 33 33 LEU CA C 33 51.940 51.940 53.116 -1.176 19622
3546 1 8 . 1 1 33 33 LEU CB C 33 42.403 42.403 43.774 -1.371 19622
3547 1 8 . 1 1 33 33 LEU H H 33 8.088 8.088 7.900 0.188 19622
3548 1 8 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.102 0.270 19622
3549 1 8 . 1 1 34 34 PRO CA C 34 62.760 62.760 62.882 -0.122 19622
3550 1 8 . 1 1 34 34 PRO CB C 34 32.298 32.298 31.709 0.589 19622
3551 1 8 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.293 0.436 19622
3552 1 8 . 1 1 46 46 ALA C C 46 178.058 178.058 177.530 0.528 19622
3553 1 8 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.769 1.435 19622
3554 1 8 . 1 1 46 46 ALA CB C 46 18.088 18.088 18.969 -0.881 19622
3555 1 8 . 1 1 47 47 GLY N N 47 112.650 112.650 111.444 1.206 19622
3556 1 8 . 1 1 47 47 GLY C C 47 178.913 178.913 172.745 6.168 19622
3557 1 8 . 1 1 47 47 GLY CA C 47 44.047 44.047 44.633 -0.586 19622
3558 1 8 . 1 1 47 47 GLY H H 47 9.815 9.815 8.403 1.412 19622
3559 1 8 . 1 1 48 48 LYS N N 48 120.076 120.076 120.176 -0.100 19622
3560 1 8 . 1 1 48 48 LYS HA H 48 4.936 4.936 4.967 -0.031 19622
3561 1 8 . 1 1 48 48 LYS C C 48 175.432 175.432 175.861 -0.429 19622
3562 1 8 . 1 1 48 48 LYS CA C 48 54.866 54.866 53.847 1.018 19622
3563 1 8 . 1 1 48 48 LYS CB C 48 36.588 36.588 35.074 1.514 19622
3564 1 8 . 1 1 48 48 LYS H H 48 9.129 9.129 8.811 0.318 19622
3565 1 8 . 1 1 49 49 VAL N N 49 127.642 127.642 126.651 0.991 19622
3566 1 8 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.852 0.088 19622
3567 1 8 . 1 1 49 49 VAL C C 49 175.133 175.133 175.490 -0.357 19622
3568 1 8 . 1 1 49 49 VAL CA C 49 63.365 63.365 64.059 -0.694 19622
3569 1 8 . 1 1 49 49 VAL CB C 49 31.981 31.981 31.838 0.143 19622
3570 1 8 . 1 1 49 49 VAL H H 49 9.523 9.523 7.976 1.547 19622
3571 1 8 . 1 1 50 50 ALA N N 50 102.132 102.132 131.487 -29.355 19622
3572 1 8 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.300 0.133 19622
3573 1 8 . 1 1 50 50 ALA C C 50 177.108 177.108 176.966 0.142 19622
3574 1 8 . 1 1 50 50 ALA CA C 50 52.234 52.234 53.200 -0.966 19622
3575 1 8 . 1 1 50 50 ALA CB C 50 19.925 19.925 19.670 0.255 19622
3576 1 8 . 1 1 50 50 ALA H H 50 8.792 8.792 8.730 0.062 19622
3577 1 8 . 1 1 51 51 ALA N N 51 119.480 119.480 118.558 0.922 19622
3578 1 8 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.648 -0.148 19622
3579 1 8 . 1 1 51 51 ALA C C 51 176.563 176.563 176.841 -0.278 19622
3580 1 8 . 1 1 51 51 ALA CA C 51 52.396 52.396 50.724 1.672 19622
3581 1 8 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.503 1.204 19622
3582 1 8 . 1 1 51 51 ALA H H 51 7.745 7.745 8.045 -0.300 19622
3583 1 8 . 1 1 52 52 GLY N N 52 108.710 108.710 107.524 1.186 19622
3584 1 8 . 1 1 52 52 GLY C C 52 172.018 172.018 173.727 -1.709 19622
3585 1 8 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.507 -1.478 19622
3586 1 8 . 1 1 52 52 GLY H H 52 8.516 8.516 8.536 -0.020 19622
3587 1 8 . 1 1 53 53 THR N N 53 106.654 106.654 111.641 -4.987 19622
3588 1 8 . 1 1 53 53 THR HA H 53 4.707 4.707 4.518 0.189 19622
3589 1 8 . 1 1 53 53 THR C C 53 173.198 173.198 172.802 0.396 19622
3590 1 8 . 1 1 53 53 THR CA C 53 59.740 59.740 60.411 -0.671 19622
3591 1 8 . 1 1 53 53 THR CB C 53 72.296 72.296 71.891 0.404 19622
3592 1 8 . 1 1 53 53 THR H H 53 7.932 7.932 7.954 -0.022 19622
3593 1 8 . 1 1 54 54 VAL N N 54 110.217 110.217 114.532 -4.315 19622
3594 1 8 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.856 0.174 19622
3595 1 8 . 1 1 54 54 VAL C C 54 174.681 174.681 174.150 0.531 19622
3596 1 8 . 1 1 54 54 VAL CA C 54 58.343 58.343 59.495 -1.152 19622
3597 1 8 . 1 1 54 54 VAL CB C 54 36.031 36.031 35.541 0.490 19622
3598 1 8 . 1 1 54 54 VAL H H 54 8.211 8.211 8.283 -0.072 19622
3599 1 8 . 1 1 55 55 ASP N N 55 121.085 121.085 121.162 -0.077 19622
3600 1 8 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.737 0.282 19622
3601 1 8 . 1 1 55 55 ASP C C 55 175.900 175.900 174.988 0.912 19622
3602 1 8 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.604 -0.425 19622
3603 1 8 . 1 1 55 55 ASP CB C 55 43.430 43.430 40.672 2.758 19622
3604 1 8 . 1 1 55 55 ASP H H 55 9.535 9.535 8.801 0.734 19622
3605 1 8 . 1 1 56 56 GLN N N 56 124.248 124.248 125.322 -1.074 19622
3606 1 8 . 1 1 56 56 GLN HA H 56 5.532 5.532 4.757 0.775 19622
3607 1 8 . 1 1 56 56 GLN C C 56 176.233 176.233 175.628 0.605 19622
3608 1 8 . 1 1 56 56 GLN CA C 56 53.067 53.067 54.431 -1.364 19622
3609 1 8 . 1 1 56 56 GLN CB C 56 28.423 28.423 28.362 0.061 19622
3610 1 8 . 1 1 56 56 GLN H H 56 9.270 9.270 8.002 1.268 19622
3611 1 8 . 1 1 57 57 SER N N 57 118.299 118.299 117.321 0.978 19622
3612 1 8 . 1 1 57 57 SER HA H 57 4.234 4.234 4.291 -0.057 19622
3613 1 8 . 1 1 57 57 SER C C 57 175.154 175.154 174.246 0.908 19622
3614 1 8 . 1 1 57 57 SER CA C 57 62.676 62.676 60.477 2.199 19622
3615 1 8 . 1 1 57 57 SER CB C 57 63.213 63.213 62.891 0.322 19622
3616 1 8 . 1 1 57 57 SER H H 57 8.491 8.491 8.204 0.287 19622
3617 1 8 . 1 1 58 58 ASP N N 58 119.055 119.055 118.263 0.792 19622
3618 1 8 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.761 -0.042 19622
3619 1 8 . 1 1 58 58 ASP C C 58 176.196 176.196 175.052 1.144 19622
3620 1 8 . 1 1 58 58 ASP CA C 58 55.408 55.408 52.756 2.652 19622
3621 1 8 . 1 1 58 58 ASP CB C 58 40.293 40.293 40.086 0.207 19622
3622 1 8 . 1 1 58 58 ASP H H 58 8.885 8.885 8.228 0.657 19622
3623 1 8 . 1 1 59 59 GLN N N 59 122.287 122.287 119.991 2.296 19622
3624 1 8 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.392 -0.177 19622
3625 1 8 . 1 1 59 59 GLN C C 59 174.169 174.169 175.058 -0.889 19622
3626 1 8 . 1 1 59 59 GLN CA C 59 55.943 55.943 55.174 0.769 19622
3627 1 8 . 1 1 59 59 GLN CB C 59 29.290 29.290 30.489 -1.199 19622
3628 1 8 . 1 1 59 59 GLN H H 59 8.394 8.394 7.722 0.672 19622
3629 1 8 . 1 1 60 60 SER N N 60 113.844 113.844 120.323 -6.479 19622
3630 1 8 . 1 1 60 60 SER HA H 60 4.729 4.729 4.437 0.292 19622
3631 1 8 . 1 1 60 60 SER C C 60 173.467 173.467 175.151 -1.684 19622
3632 1 8 . 1 1 60 60 SER CA C 60 58.201 58.201 58.548 -0.347 19622
3633 1 8 . 1 1 60 60 SER CB C 60 65.221 65.221 63.415 1.806 19622
3634 1 8 . 1 1 60 60 SER H H 60 8.871 8.871 8.509 0.362 19622
3635 1 8 . 1 1 61 61 PHE N N 61 123.610 123.610 118.296 5.314 19622
3636 1 8 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.155 0.242 19622
3637 1 8 . 1 1 61 61 PHE C C 61 176.268 176.268 173.733 2.535 19622
3638 1 8 . 1 1 61 61 PHE CA C 61 60.986 60.986 58.476 2.510 19622
3639 1 8 . 1 1 61 61 PHE CB C 61 43.362 43.362 37.263 6.099 19622
3640 1 8 . 1 1 61 61 PHE H H 61 7.691 7.691 8.613 -0.922 19622
3641 1 8 . 1 1 62 62 LEU N N 62 121.203 121.203 123.175 -1.972 19622
3642 1 8 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.442 -0.096 19622
3643 1 8 . 1 1 62 62 LEU C C 62 177.920 177.920 175.439 2.481 19622
3644 1 8 . 1 1 62 62 LEU CA C 62 54.152 54.152 54.170 -0.018 19622
3645 1 8 . 1 1 62 62 LEU CB C 62 42.638 42.638 41.636 1.002 19622
3646 1 8 . 1 1 62 62 LEU H H 62 10.705 10.705 7.149 3.556 19622
3647 1 8 . 1 1 63 63 ASP N N 63 121.418 121.418 126.399 -4.981 19622
3648 1 8 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.773 -0.093 19622
3649 1 8 . 1 1 63 63 ASP C C 63 176.479 176.479 176.559 -0.080 19622
3650 1 8 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.816 -2.078 19622
3651 1 8 . 1 1 63 63 ASP CB C 63 41.706 41.706 43.409 -1.703 19622
3652 1 8 . 1 1 63 63 ASP H H 63 8.672 8.672 8.281 0.391 19622
3653 1 8 . 1 1 64 64 ASP N N 64 117.220 117.220 119.761 -2.541 19622
3654 1 8 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.310 -0.027 19622
3655 1 8 . 1 1 64 64 ASP C C 64 179.309 179.309 178.007 1.302 19622
3656 1 8 . 1 1 64 64 ASP CA C 64 57.917 57.917 57.737 0.180 19622
3657 1 8 . 1 1 64 64 ASP CB C 64 40.862 40.862 40.955 -0.092 19622
3658 1 8 . 1 1 64 64 ASP H H 64 8.282 8.282 8.664 -0.382 19622
3659 1 8 . 1 1 65 65 ALA N N 65 125.398 125.398 120.893 4.505 19622
3660 1 8 . 1 1 65 65 ALA HA H 65 4.137 4.137 4.097 0.040 19622
3661 1 8 . 1 1 65 65 ALA C C 65 180.917 180.917 179.967 0.950 19622
3662 1 8 . 1 1 65 65 ALA CA C 65 54.858 54.858 54.808 0.050 19622
3663 1 8 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.068 -0.319 19622
3664 1 8 . 1 1 65 65 ALA H H 65 8.215 8.215 8.435 -0.220 19622
3665 1 8 . 1 1 66 66 GLN N N 66 119.386 119.386 117.061 2.325 19622
3666 1 8 . 1 1 66 66 GLN HA H 66 4.315 4.315 4.068 0.247 19622
3667 1 8 . 1 1 66 66 GLN C C 66 180.587 180.587 178.290 2.297 19622
3668 1 8 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.619 0.432 19622
3669 1 8 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.453 0.274 19622
3670 1 8 . 1 1 66 66 GLN H H 66 8.821 8.821 7.867 0.954 19622
3671 1 8 . 1 1 67 67 MET N N 67 118.975 118.975 119.984 -1.009 19622
3672 1 8 . 1 1 67 67 MET HA H 67 4.432 4.432 4.482 -0.050 19622
3673 1 8 . 1 1 67 67 MET C C 67 181.267 181.267 178.256 3.011 19622
3674 1 8 . 1 1 67 67 MET CA C 67 59.988 59.988 58.408 1.580 19622
3675 1 8 . 1 1 67 67 MET CB C 67 33.535 33.535 32.580 0.955 19622
3676 1 8 . 1 1 67 67 MET H H 67 8.504 8.504 7.538 0.966 19622
3677 1 8 . 1 1 68 68 GLY N N 68 110.904 110.904 106.475 4.429 19622
3678 1 8 . 1 1 68 68 GLY C C 68 174.778 174.778 175.647 -0.869 19622
3679 1 8 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.550 0.137 19622
3680 1 8 . 1 1 68 68 GLY H H 68 8.697 8.697 8.232 0.465 19622
3681 1 8 . 1 1 69 69 ASN N N 69 118.203 118.203 119.445 -1.242 19622
3682 1 8 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.349 0.543 19622
3683 1 8 . 1 1 69 69 ASN C C 69 174.610 174.610 174.602 0.008 19622
3684 1 8 . 1 1 69 69 ASN CA C 69 53.121 53.121 53.491 -0.370 19622
3685 1 8 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.750 0.645 19622
3686 1 8 . 1 1 69 69 ASN H H 69 7.536 7.536 7.919 -0.383 19622
3687 1 8 . 1 1 70 70 GLY N N 70 104.994 104.994 105.048 -0.054 19622
3688 1 8 . 1 1 70 70 GLY C C 70 174.423 174.423 173.595 0.828 19622
3689 1 8 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.756 0.422 19622
3690 1 8 . 1 1 70 70 GLY H H 70 7.725 7.725 7.394 0.331 19622
3691 1 8 . 1 1 71 71 PHE N N 71 117.987 117.987 119.712 -1.725 19622
3692 1 8 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.836 0.205 19622
3693 1 8 . 1 1 71 71 PHE C C 71 175.618 175.618 174.417 1.201 19622
3694 1 8 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.477 5.013 19622
3695 1 8 . 1 1 71 71 PHE CB C 71 39.860 39.860 40.876 -1.016 19622
3696 1 8 . 1 1 71 71 PHE H H 71 7.750 7.750 7.979 -0.229 19622
3697 1 8 . 1 1 72 72 VAL N N 72 117.069 117.069 116.241 0.828 19622
3698 1 8 . 1 1 72 72 VAL HA H 72 5.073 5.073 4.975 0.098 19622
3699 1 8 . 1 1 72 72 VAL CA C 72 57.273 57.273 59.648 -2.375 19622
3700 1 8 . 1 1 72 72 VAL CB C 72 34.219 34.219 35.989 -1.770 19622
3701 1 8 . 1 1 72 72 VAL H H 72 8.578 8.578 9.117 -0.539 19622
3702 1 8 . 1 1 76 76 VAL HA H 76 2.939 2.939 4.108 -1.169 19622
3703 1 8 . 1 1 76 76 VAL C C 76 172.825 172.825 172.674 0.151 19622
3704 1 8 . 1 1 76 76 VAL CA C 76 59.273 59.273 60.693 -1.420 19622
3705 1 8 . 1 1 76 76 VAL CB C 76 31.330 31.330 31.790 -0.460 19622
3706 1 8 . 1 1 77 77 ALA N N 77 120.939 120.939 121.171 -0.232 19622
3707 1 8 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.186 -0.045 19622
3708 1 8 . 1 1 77 77 ALA C C 77 175.744 175.744 175.374 0.370 19622
3709 1 8 . 1 1 77 77 ALA CA C 77 49.687 49.687 50.967 -1.280 19622
3710 1 8 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.094 0.245 19622
3711 1 8 . 1 1 77 77 ALA H H 77 6.318 6.318 7.398 -1.080 19622
3712 1 8 . 1 1 78 78 TYR N N 78 122.466 122.466 119.208 3.258 19622
3713 1 8 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.089 0.291 19622
3714 1 8 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.033 0.363 19622
3715 1 8 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.618 0.042 19622
3716 1 8 . 1 1 78 78 TYR H H 78 9.113 9.113 7.518 1.595 19622
3717 1 8 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.747 -0.003 19622
3718 1 8 . 1 1 79 79 PRO C C 79 176.434 176.434 176.830 -0.396 19622
3719 1 8 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.753 0.592 19622
3720 1 8 . 1 1 79 79 PRO CB C 79 31.141 31.141 31.770 -0.629 19622
3721 1 8 . 1 1 80 80 THR N N 80 110.712 110.712 114.670 -3.958 19622
3722 1 8 . 1 1 80 80 THR HA H 80 4.204 4.204 3.980 0.224 19622
3723 1 8 . 1 1 80 80 THR C C 80 171.733 171.733 173.901 -2.168 19622
3724 1 8 . 1 1 80 80 THR CA C 80 60.121 60.121 62.082 -1.961 19622
3725 1 8 . 1 1 80 80 THR CB C 80 68.267 68.267 69.109 -0.842 19622
3726 1 8 . 1 1 80 80 THR H H 80 8.470 8.470 8.004 0.466 19622
3727 1 8 . 1 1 81 81 SER N N 81 114.994 114.994 115.573 -0.579 19622
3728 1 8 . 1 1 81 81 SER HA H 81 3.869 3.869 4.441 -0.572 19622
3729 1 8 . 1 1 81 81 SER C C 81 172.754 172.754 172.149 0.605 19622
3730 1 8 . 1 1 81 81 SER CA C 81 57.892 57.892 57.083 0.809 19622
3731 1 8 . 1 1 81 81 SER CB C 81 66.405 66.405 66.125 0.280 19622
3732 1 8 . 1 1 81 81 SER H H 81 7.604 7.604 7.194 0.410 19622
3733 1 8 . 1 1 82 82 ASP N N 82 120.462 120.462 122.088 -1.626 19622
3734 1 8 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.849 0.315 19622
3735 1 8 . 1 1 82 82 ASP C C 82 178.987 178.987 176.014 2.973 19622
3736 1 8 . 1 1 82 82 ASP CA C 82 56.313 56.313 55.218 1.095 19622
3737 1 8 . 1 1 82 82 ASP CB C 82 39.386 39.386 40.755 -1.369 19622
3738 1 8 . 1 1 82 82 ASP H H 82 8.690 8.690 8.667 0.023 19622
3739 1 8 . 1 1 83 83 CYS N N 83 120.974 120.974 119.797 1.177 19622
3740 1 8 . 1 1 83 83 CYS HA H 83 5.139 5.139 5.043 0.096 19622
3741 1 8 . 1 1 83 83 CYS C C 83 172.614 172.614 173.305 -0.691 19622
3742 1 8 . 1 1 83 83 CYS CA C 83 56.370 56.370 56.157 0.213 19622
3743 1 8 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.821 -0.271 19622
3744 1 8 . 1 1 83 83 CYS H H 83 8.922 8.922 8.266 0.656 19622
3745 1 8 . 1 1 84 84 THR N N 84 116.819 116.819 116.715 0.104 19622
3746 1 8 . 1 1 84 84 THR HA H 84 5.464 5.464 4.982 0.482 19622
3747 1 8 . 1 1 84 84 THR C C 84 173.477 173.477 172.937 0.540 19622
3748 1 8 . 1 1 84 84 THR CA C 84 61.171 61.171 62.079 -0.908 19622
3749 1 8 . 1 1 84 84 THR CB C 84 70.791 70.791 70.707 0.084 19622
3750 1 8 . 1 1 84 84 THR H H 84 8.637 8.637 8.135 0.502 19622
3751 1 8 . 1 1 85 85 ILE N N 85 127.705 127.705 126.417 1.288 19622
3752 1 8 . 1 1 85 85 ILE HA H 85 4.831 4.831 4.974 -0.143 19622
3753 1 8 . 1 1 85 85 ILE C C 85 174.828 174.828 175.686 -0.858 19622
3754 1 8 . 1 1 85 85 ILE CA C 85 57.901 57.901 58.063 -0.162 19622
3755 1 8 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.241 2.326 19622
3756 1 8 . 1 1 85 85 ILE H H 85 9.433 9.433 9.133 0.300 19622
3757 1 8 . 1 1 86 86 GLN N N 86 128.424 128.424 128.332 0.092 19622
3758 1 8 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.677 0.404 19622
3759 1 8 . 1 1 86 86 GLN C C 86 176.145 176.145 177.239 -1.094 19622
3760 1 8 . 1 1 86 86 GLN CA C 86 54.821 54.821 57.192 -2.371 19622
3761 1 8 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.435 -0.746 19622
3762 1 8 . 1 1 86 86 GLN H H 86 9.533 9.533 9.218 0.315 19622
3763 1 8 . 1 1 87 87 THR N N 87 117.634 117.634 118.274 -0.640 19622
3764 1 8 . 1 1 87 87 THR HA H 87 4.600 4.600 4.567 0.033 19622
3765 1 8 . 1 1 87 87 THR C C 87 175.822 175.822 176.379 -0.557 19622
3766 1 8 . 1 1 87 87 THR CA C 87 62.643 62.643 63.220 -0.577 19622
3767 1 8 . 1 1 87 87 THR CB C 87 68.604 68.604 69.137 -0.533 19622
3768 1 8 . 1 1 87 87 THR H H 87 8.292 8.292 8.928 -0.636 19622
3769 1 8 . 1 1 88 88 HIS N N 88 117.083 117.083 119.213 -2.130 19622
3770 1 8 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.583 -0.003 19622
3771 1 8 . 1 1 88 88 HIS C C 88 177.884 177.884 175.188 2.696 19622
3772 1 8 . 1 1 88 88 HIS CA C 88 58.580 58.580 56.905 1.675 19622
3773 1 8 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.396 -2.056 19622
3774 1 8 . 1 1 88 88 HIS H H 88 9.658 9.658 8.763 0.895 19622
3775 1 8 . 1 1 89 89 GLN N N 89 112.869 112.869 118.015 -5.146 19622
3776 1 8 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.578 0.157 19622
3777 1 8 . 1 1 89 89 GLN C C 89 175.239 175.239 176.836 -1.597 19622
3778 1 8 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.889 -0.940 19622
3779 1 8 . 1 1 89 89 GLN CB C 89 29.312 29.312 27.589 1.723 19622
3780 1 8 . 1 1 89 89 GLN H H 89 7.591 7.591 7.498 0.093 19622
3781 1 8 . 1 1 90 90 GLU N N 90 122.583 122.583 121.734 0.849 19622
3782 1 8 . 1 1 90 90 GLU HA H 90 3.588 3.588 3.976 -0.388 19622
3783 1 8 . 1 1 90 90 GLU C C 90 177.210 177.210 177.990 -0.780 19622
3784 1 8 . 1 1 90 90 GLU CA C 90 61.485 61.485 59.404 2.081 19622
3785 1 8 . 1 1 90 90 GLU CB C 90 29.147 29.147 28.226 0.921 19622
3786 1 8 . 1 1 90 90 GLU H H 90 8.327 8.327 8.308 0.019 19622
3787 1 8 . 1 1 91 91 GLU N N 91 115.209 115.209 120.793 -5.584 19622
3788 1 8 . 1 1 91 91 GLU HA H 91 4.041 4.041 4.081 -0.040 19622
3789 1 8 . 1 1 91 91 GLU C C 91 179.055 179.055 178.170 0.885 19622
3790 1 8 . 1 1 91 91 GLU CA C 91 59.647 59.647 58.578 1.069 19622
3791 1 8 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.366 -0.540 19622
3792 1 8 . 1 1 91 91 GLU H H 91 8.666 8.666 8.420 0.246 19622
3793 1 8 . 1 1 92 92 ALA N N 92 121.790 121.790 121.294 0.496 19622
3794 1 8 . 1 1 92 92 ALA HA H 92 4.212 4.212 3.875 0.337 19622
3795 1 8 . 1 1 92 92 ALA C C 92 179.762 179.762 179.004 0.758 19622
3796 1 8 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.659 -0.459 19622
3797 1 8 . 1 1 92 92 ALA CB C 92 16.917 16.917 17.753 -0.836 19622
3798 1 8 . 1 1 92 92 ALA H H 92 7.628 7.628 8.033 -0.405 19622
3799 1 8 . 1 1 93 93 LEU N N 93 119.699 119.699 116.681 3.018 19622
3800 1 8 . 1 1 93 93 LEU HA H 93 3.263 3.263 4.111 -0.848 19622
3801 1 8 . 1 1 93 93 LEU C C 93 177.803 177.803 177.777 0.026 19622
3802 1 8 . 1 1 93 93 LEU CA C 93 57.031 57.031 57.320 -0.289 19622
3803 1 8 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.915 -0.605 19622
3804 1 8 . 1 1 93 93 LEU H H 93 7.694 7.694 7.266 0.428 19622
3805 1 8 . 1 1 94 94 TYR N N 94 116.307 116.307 118.737 -2.430 19622
3806 1 8 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.447 -0.073 19622
3807 1 8 . 1 1 94 94 TYR C C 94 176.548 176.548 176.438 0.110 19622
3808 1 8 . 1 1 94 94 TYR CA C 94 58.822 58.822 60.498 -1.676 19622
3809 1 8 . 1 1 94 94 TYR CB C 94 38.500 38.500 39.802 -1.302 19622
3810 1 8 . 1 1 94 94 TYR H H 94 7.343 7.343 7.484 -0.141 19622
3811 1 8 . 1 1 95 95 GLU N N 95 120.194 120.194 115.949 4.245 19622
3812 1 8 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.284 -0.123 19622
3813 1 8 . 1 1 95 95 GLU C C 95 176.704 176.704 176.208 0.496 19622
3814 1 8 . 1 1 95 95 GLU CA C 95 57.795 57.795 56.762 1.033 19622
3815 1 8 . 1 1 95 95 GLU CB C 95 30.121 30.121 31.573 -1.452 19622
3816 1 8 . 1 1 95 95 GLU H H 95 7.707 7.707 8.554 -0.847 19622
3817 1 8 . 1 1 96 96 ASN N N 96 118.074 118.074 113.386 4.688 19622
3818 1 8 . 1 1 96 96 ASN HA H 96 4.580 4.580 4.835 -0.255 19622
3819 1 8 . 1 1 96 96 ASN C C 96 176.061 176.061 175.253 0.808 19622
3820 1 8 . 1 1 96 96 ASN CA C 96 54.092 54.092 53.614 0.478 19622
3821 1 8 . 1 1 96 96 ASN CB C 96 38.864 38.864 40.337 -1.473 19622
3822 1 8 . 1 1 96 96 ASN H H 96 8.195 8.195 8.012 0.183 19622
3823 1 8 . 1 1 97 97 LEU N N 97 120.760 120.760 118.444 2.316 19622
3824 1 8 . 1 1 97 97 LEU HA H 97 4.142 4.142 3.751 0.391 19622
3825 1 8 . 1 1 97 97 LEU C C 97 177.094 177.094 176.675 0.419 19622
3826 1 8 . 1 1 97 97 LEU CA C 97 55.429 55.429 57.557 -2.128 19622
3827 1 8 . 1 1 97 97 LEU CB C 97 42.562 42.562 41.056 1.506 19622
3828 1 8 . 1 1 97 97 LEU H H 97 7.912 7.912 8.374 -0.462 19622
3829 1 8 . 1 1 98 98 TYR N N 98 118.892 118.892 114.212 4.680 19622
3830 1 8 . 1 1 98 98 TYR HA H 98 4.520 4.520 4.334 0.186 19622
3831 1 8 . 1 1 98 98 TYR C C 98 175.296 175.296 174.497 0.799 19622
3832 1 8 . 1 1 98 98 TYR CA C 98 57.640 57.640 58.525 -0.885 19622
3833 1 8 . 1 1 98 98 TYR CB C 98 38.660 38.660 39.045 -0.385 19622
3834 1 8 . 1 1 98 98 TYR H H 98 7.898 7.898 7.890 0.008 19622
3835 1 8 . 1 1 99 99 PHE N N 99 121.225 121.225 122.556 -1.331 19622
3836 1 8 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.524 -0.046 19622
3837 1 8 . 1 1 99 99 PHE C C 99 174.558 174.558 175.391 -0.833 19622
3838 1 8 . 1 1 99 99 PHE CA C 99 58.151 58.151 58.687 -0.536 19622
3839 1 8 . 1 1 99 99 PHE CB C 99 39.561 39.561 36.838 2.723 19622
3840 1 8 . 1 1 99 99 PHE H H 99 7.931 7.931 7.935 -0.004 19622
3841 1 9 . 1 1 1 1 TYR N N 1 121.776 121.776 119.979 1.797 19622
3842 1 9 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.683 0.217 19622
3843 1 9 . 1 1 1 1 TYR C C 1 174.477 174.477 175.754 -1.277 19622
3844 1 9 . 1 1 1 1 TYR CA C 1 57.340 57.340 57.350 -0.010 19622
3845 1 9 . 1 1 1 1 TYR CB C 1 40.147 40.147 40.454 -0.307 19622
3846 1 9 . 1 1 1 1 TYR H H 1 8.204 8.204 8.597 -0.393 19622
3847 1 9 . 1 1 2 2 LYS N N 2 122.911 122.911 124.273 -1.362 19622
3848 1 9 . 1 1 2 2 LYS HA H 2 4.719 4.719 4.987 -0.268 19622
3849 1 9 . 1 1 2 2 LYS C C 2 176.369 176.369 175.651 0.718 19622
3850 1 9 . 1 1 2 2 LYS CA C 2 55.408 55.408 55.976 -0.568 19622
3851 1 9 . 1 1 2 2 LYS CB C 2 32.636 32.636 32.888 -0.252 19622
3852 1 9 . 1 1 2 2 LYS H H 2 9.291 9.291 8.842 0.449 19622
3853 1 9 . 1 1 3 3 VAL N N 3 128.453 128.453 126.512 1.941 19622
3854 1 9 . 1 1 3 3 VAL HA H 3 4.974 4.974 5.124 -0.150 19622
3855 1 9 . 1 1 3 3 VAL C C 3 175.283 175.283 174.766 0.517 19622
3856 1 9 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.549 0.852 19622
3857 1 9 . 1 1 3 3 VAL CB C 3 33.332 33.332 33.817 -0.485 19622
3858 1 9 . 1 1 3 3 VAL H H 3 9.268 9.268 8.399 0.869 19622
3859 1 9 . 1 1 4 4 THR N N 4 126.298 126.298 126.055 0.243 19622
3860 1 9 . 1 1 4 4 THR HA H 4 4.316 4.316 4.752 -0.436 19622
3861 1 9 . 1 1 4 4 THR C C 4 172.907 172.907 174.472 -1.565 19622
3862 1 9 . 1 1 4 4 THR CA C 4 63.342 63.342 62.609 0.733 19622
3863 1 9 . 1 1 4 4 THR CB C 4 69.170 69.170 68.740 0.430 19622
3864 1 9 . 1 1 4 4 THR H H 4 9.623 9.623 9.223 0.400 19622
3865 1 9 . 1 1 5 5 LEU N N 5 130.058 130.058 130.495 -0.437 19622
3866 1 9 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.880 0.293 19622
3867 1 9 . 1 1 5 5 LEU C C 5 174.969 174.969 176.356 -1.387 19622
3868 1 9 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.726 -2.005 19622
3869 1 9 . 1 1 5 5 LEU CB C 5 41.530 41.530 43.222 -1.692 19622
3870 1 9 . 1 1 5 5 LEU H H 5 9.554 9.554 9.339 0.215 19622
3871 1 9 . 1 1 6 6 LYS N N 6 124.882 124.882 126.367 -1.485 19622
3872 1 9 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.693 0.191 19622
3873 1 9 . 1 1 6 6 LYS C C 6 175.730 175.730 175.542 0.188 19622
3874 1 9 . 1 1 6 6 LYS CA C 6 55.335 55.335 55.393 -0.058 19622
3875 1 9 . 1 1 6 6 LYS CB C 6 31.006 31.006 32.497 -1.491 19622
3876 1 9 . 1 1 6 6 LYS H H 6 9.072 9.072 8.852 0.220 19622
3877 1 9 . 1 1 7 7 THR N N 7 117.987 117.987 117.693 0.294 19622
3878 1 9 . 1 1 7 7 THR HA H 7 5.708 5.708 5.303 0.405 19622
3879 1 9 . 1 1 7 7 THR CA C 7 59.875 59.875 58.695 1.180 19622
3880 1 9 . 1 1 7 7 THR CB C 7 69.582 69.582 70.104 -0.522 19622
3881 1 9 . 1 1 7 7 THR H H 7 7.750 7.750 8.292 -0.542 19622
3882 1 9 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.352 -0.018 19622
3883 1 9 . 1 1 8 8 PRO C C 8 177.136 177.136 176.752 0.384 19622
3884 1 9 . 1 1 8 8 PRO CA C 8 64.777 64.777 64.311 0.466 19622
3885 1 9 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.733 0.001 19622
3886 1 9 . 1 1 9 9 SER N N 9 109.200 109.200 111.856 -2.656 19622
3887 1 9 . 1 1 9 9 SER HA H 9 4.629 4.629 4.540 0.089 19622
3888 1 9 . 1 1 9 9 SER C C 9 173.571 173.571 174.773 -1.202 19622
3889 1 9 . 1 1 9 9 SER CA C 9 57.371 57.371 58.643 -1.272 19622
3890 1 9 . 1 1 9 9 SER CB C 9 63.513 63.513 64.934 -1.421 19622
3891 1 9 . 1 1 9 9 SER H H 9 7.739 7.739 7.805 -0.066 19622
3892 1 9 . 1 1 10 10 GLY N N 10 110.027 110.027 109.274 0.753 19622
3893 1 9 . 1 1 10 10 GLY C C 10 174.096 174.096 171.445 2.651 19622
3894 1 9 . 1 1 10 10 GLY CA C 10 43.987 43.987 44.905 -0.918 19622
3895 1 9 . 1 1 10 10 GLY H H 10 7.526 7.526 7.741 -0.215 19622
3896 1 9 . 1 1 11 11 ASP N N 11 123.154 123.154 118.952 4.202 19622
3897 1 9 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.719 -0.049 19622
3898 1 9 . 1 1 11 11 ASP C C 11 176.750 176.750 175.800 0.950 19622
3899 1 9 . 1 1 11 11 ASP CA C 11 53.710 53.710 52.908 0.802 19622
3900 1 9 . 1 1 11 11 ASP CB C 11 41.085 41.085 42.804 -1.719 19622
3901 1 9 . 1 1 11 11 ASP H H 11 8.808 8.808 8.324 0.484 19622
3902 1 9 . 1 1 12 12 LYS N N 12 123.685 123.685 122.837 0.848 19622
3903 1 9 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.611 0.067 19622
3904 1 9 . 1 1 12 12 LYS C C 12 174.777 174.777 174.928 -0.151 19622
3905 1 9 . 1 1 12 12 LYS CA C 12 55.024 55.024 55.015 0.009 19622
3906 1 9 . 1 1 12 12 LYS CB C 12 36.206 36.206 36.327 -0.121 19622
3907 1 9 . 1 1 12 12 LYS H H 12 9.108 9.108 8.865 0.243 19622
3908 1 9 . 1 1 13 13 THR N N 13 122.136 122.136 122.706 -0.570 19622
3909 1 9 . 1 1 13 13 THR HA H 13 5.314 5.314 4.871 0.443 19622
3910 1 9 . 1 1 13 13 THR C C 13 174.082 174.082 174.876 -0.794 19622
3911 1 9 . 1 1 13 13 THR CA C 13 62.397 62.397 62.806 -0.409 19622
3912 1 9 . 1 1 13 13 THR CB C 13 69.809 69.809 68.757 1.052 19622
3913 1 9 . 1 1 13 13 THR H H 13 8.935 8.935 8.443 0.492 19622
3914 1 9 . 1 1 14 14 ILE N N 14 122.466 122.466 121.512 0.954 19622
3915 1 9 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.683 0.145 19622
3916 1 9 . 1 1 14 14 ILE C C 14 174.083 174.083 174.205 -0.122 19622
3917 1 9 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.906 -0.450 19622
3918 1 9 . 1 1 14 14 ILE CB C 14 41.510 41.510 41.136 0.373 19622
3919 1 9 . 1 1 14 14 ILE H H 14 9.113 9.113 8.925 0.188 19622
3920 1 9 . 1 1 15 15 GLU N N 15 121.208 121.208 121.582 -0.374 19622
3921 1 9 . 1 1 15 15 GLU HA H 15 4.928 4.928 4.990 -0.062 19622
3922 1 9 . 1 1 15 15 GLU C C 15 175.553 175.553 175.355 0.198 19622
3923 1 9 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.320 -0.141 19622
3924 1 9 . 1 1 15 15 GLU CB C 15 31.093 31.093 30.546 0.547 19622
3925 1 9 . 1 1 15 15 GLU H H 15 8.510 8.510 8.493 0.017 19622
3926 1 9 . 1 1 16 16 CYS N N 16 125.232 125.232 124.210 1.022 19622
3927 1 9 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.952 0.134 19622
3928 1 9 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.460 0.201 19622
3929 1 9 . 1 1 16 16 CYS CB C 16 31.298 31.298 29.689 1.609 19622
3930 1 9 . 1 1 16 16 CYS H H 16 9.306 9.306 8.742 0.564 19622
3931 1 9 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.302 0.233 19622
3932 1 9 . 1 1 17 17 PRO C C 17 175.733 175.733 176.520 -0.787 19622
3933 1 9 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.313 -0.423 19622
3934 1 9 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.240 0.902 19622
3935 1 9 . 1 1 18 18 ALA N N 18 120.277 120.277 121.452 -1.175 19622
3936 1 9 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.247 0.005 19622
3937 1 9 . 1 1 18 18 ALA C C 18 177.177 177.177 176.762 0.415 19622
3938 1 9 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.201 0.752 19622
3939 1 9 . 1 1 18 18 ALA CB C 18 19.449 19.449 18.448 1.001 19622
3940 1 9 . 1 1 18 18 ALA H H 18 8.622 8.622 8.414 0.208 19622
3941 1 9 . 1 1 19 19 ASP N N 19 112.081 112.081 110.290 1.791 19622
3942 1 9 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.190 -0.067 19622
3943 1 9 . 1 1 19 19 ASP C C 19 175.263 175.263 175.191 0.072 19622
3944 1 9 . 1 1 19 19 ASP CA C 19 52.705 52.705 53.184 -0.479 19622
3945 1 9 . 1 1 19 19 ASP CB C 19 39.747 39.747 41.914 -2.167 19622
3946 1 9 . 1 1 19 19 ASP H H 19 7.950 7.950 7.638 0.312 19622
3947 1 9 . 1 1 20 20 THR N N 20 117.760 117.760 117.602 0.158 19622
3948 1 9 . 1 1 20 20 THR HA H 20 4.555 4.555 4.280 0.275 19622
3949 1 9 . 1 1 20 20 THR C C 20 171.521 171.521 173.529 -2.008 19622
3950 1 9 . 1 1 20 20 THR CA C 20 61.849 61.849 61.317 0.532 19622
3951 1 9 . 1 1 20 20 THR CB C 20 72.498 72.498 70.616 1.882 19622
3952 1 9 . 1 1 20 20 THR H H 20 7.550 7.550 6.992 0.558 19622
3953 1 9 . 1 1 21 21 TYR N N 21 124.181 124.181 124.465 -0.284 19622
3954 1 9 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.906 -0.216 19622
3955 1 9 . 1 1 21 21 TYR C C 21 171.626 171.626 177.078 -5.452 19622
3956 1 9 . 1 1 21 21 TYR CA C 21 55.120 55.120 56.201 -1.081 19622
3957 1 9 . 1 1 21 21 TYR CB C 21 38.570 38.570 37.670 0.900 19622
3958 1 9 . 1 1 21 21 TYR H H 21 8.594 8.594 7.958 0.636 19622
3959 1 9 . 1 1 22 22 ILE N N 22 120.076 120.076 123.990 -3.914 19622
3960 1 9 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.777 -0.062 19622
3961 1 9 . 1 1 22 22 ILE C C 22 177.421 177.421 178.193 -0.772 19622
3962 1 9 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.764 -0.323 19622
3963 1 9 . 1 1 22 22 ILE CB C 22 38.297 38.297 37.926 0.371 19622
3964 1 9 . 1 1 22 22 ILE H H 22 9.140 9.140 8.947 0.193 19622
3965 1 9 . 1 1 23 23 LEU N N 23 115.378 115.378 117.570 -2.192 19622
3966 1 9 . 1 1 23 23 LEU HA H 23 3.869 3.869 3.985 -0.116 19622
3967 1 9 . 1 1 23 23 LEU C C 23 176.741 176.741 178.576 -1.835 19622
3968 1 9 . 1 1 23 23 LEU CA C 23 57.892 57.892 57.945 -0.053 19622
3969 1 9 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.486 2.143 19622
3970 1 9 . 1 1 23 23 LEU H H 23 7.382 7.382 7.621 -0.239 19622
3971 1 9 . 1 1 24 24 ASP N N 24 116.687 116.687 120.585 -3.898 19622
3972 1 9 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.428 -0.114 19622
3973 1 9 . 1 1 24 24 ASP C C 24 178.902 178.902 178.174 0.728 19622
3974 1 9 . 1 1 24 24 ASP CA C 24 57.792 57.792 58.134 -0.342 19622
3975 1 9 . 1 1 24 24 ASP CB C 24 39.971 39.971 40.881 -0.910 19622
3976 1 9 . 1 1 24 24 ASP H H 24 6.747 6.747 8.533 -1.786 19622
3977 1 9 . 1 1 25 25 ALA N N 25 122.742 122.742 121.500 1.242 19622
3978 1 9 . 1 1 25 25 ALA HA H 25 4.231 4.231 4.104 0.127 19622
3979 1 9 . 1 1 25 25 ALA C C 25 180.559 180.559 179.349 1.210 19622
3980 1 9 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.574 0.316 19622
3981 1 9 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.348 0.844 19622
3982 1 9 . 1 1 25 25 ALA H H 25 8.045 8.045 7.573 0.472 19622
3983 1 9 . 1 1 26 26 ALA N N 26 122.264 122.264 122.748 -0.484 19622
3984 1 9 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.959 -0.015 19622
3985 1 9 . 1 1 26 26 ALA C C 26 179.219 179.219 179.380 -0.161 19622
3986 1 9 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.431 -0.006 19622
3987 1 9 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.604 0.091 19622
3988 1 9 . 1 1 26 26 ALA H H 26 8.701 8.701 8.550 0.151 19622
3989 1 9 . 1 1 27 27 GLU N N 27 119.508 119.508 116.971 2.537 19622
3990 1 9 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.084 0.219 19622
3991 1 9 . 1 1 27 27 GLU C C 27 169.931 169.931 178.835 -8.904 19622
3992 1 9 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.294 1.249 19622
3993 1 9 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.194 0.265 19622
3994 1 9 . 1 1 27 27 GLU H H 27 8.567 8.567 8.345 0.222 19622
3995 1 9 . 1 1 28 28 GLU N N 28 122.658 122.658 120.083 2.575 19622
3996 1 9 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.087 0.018 19622
3997 1 9 . 1 1 28 28 GLU C C 28 177.634 177.634 178.235 -0.601 19622
3998 1 9 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.575 0.689 19622
3999 1 9 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.283 -0.228 19622
4000 1 9 . 1 1 28 28 GLU H H 28 8.164 8.164 7.660 0.504 19622
4001 1 9 . 1 1 29 29 ALA N N 29 119.216 119.216 118.740 0.476 19622
4002 1 9 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.174 0.302 19622
4003 1 9 . 1 1 29 29 ALA C C 29 177.282 177.282 177.289 -0.007 19622
4004 1 9 . 1 1 29 29 ALA CA C 29 52.052 52.052 52.815 -0.763 19622
4005 1 9 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.857 -0.742 19622
4006 1 9 . 1 1 29 29 ALA H H 29 7.433 7.433 7.981 -0.548 19622
4007 1 9 . 1 1 30 30 GLY N N 30 106.654 106.654 104.756 1.898 19622
4008 1 9 . 1 1 30 30 GLY C C 30 174.629 174.629 174.457 0.172 19622
4009 1 9 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.538 0.853 19622
4010 1 9 . 1 1 30 30 GLY H H 30 7.932 7.932 7.513 0.419 19622
4011 1 9 . 1 1 31 31 LEU N N 31 121.203 121.203 120.302 0.901 19622
4012 1 9 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.488 -0.032 19622
4013 1 9 . 1 1 31 31 LEU C C 31 175.406 175.406 177.103 -1.697 19622
4014 1 9 . 1 1 31 31 LEU CA C 31 54.656 54.656 54.194 0.462 19622
4015 1 9 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.238 0.391 19622
4016 1 9 . 1 1 31 31 LEU H H 31 8.078 8.078 7.483 0.595 19622
4017 1 9 . 1 1 32 32 ASP N N 32 121.884 121.884 124.098 -2.214 19622
4018 1 9 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.668 0.241 19622
4019 1 9 . 1 1 32 32 ASP C C 32 174.882 174.882 174.810 0.072 19622
4020 1 9 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.217 -0.098 19622
4021 1 9 . 1 1 32 32 ASP CB C 32 41.068 41.068 39.867 1.201 19622
4022 1 9 . 1 1 32 32 ASP H H 32 8.418 8.418 8.697 -0.279 19622
4023 1 9 . 1 1 33 33 LEU N N 33 124.734 124.734 122.436 2.298 19622
4024 1 9 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.739 -0.074 19622
4025 1 9 . 1 1 33 33 LEU CA C 33 51.940 51.940 52.577 -0.637 19622
4026 1 9 . 1 1 33 33 LEU CB C 33 42.403 42.403 43.170 -0.767 19622
4027 1 9 . 1 1 33 33 LEU H H 33 8.088 8.088 7.579 0.509 19622
4028 1 9 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.404 -0.032 19622
4029 1 9 . 1 1 34 34 PRO CA C 34 62.760 62.760 62.961 -0.201 19622
4030 1 9 . 1 1 34 34 PRO CB C 34 32.298 32.298 32.129 0.169 19622
4031 1 9 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.341 0.388 19622
4032 1 9 . 1 1 46 46 ALA C C 46 178.058 178.058 177.333 0.725 19622
4033 1 9 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.732 1.472 19622
4034 1 9 . 1 1 46 46 ALA CB C 46 18.088 18.088 18.992 -0.904 19622
4035 1 9 . 1 1 47 47 GLY N N 47 112.650 112.650 112.112 0.538 19622
4036 1 9 . 1 1 47 47 GLY C C 47 178.913 178.913 172.733 6.180 19622
4037 1 9 . 1 1 47 47 GLY CA C 47 44.047 44.047 44.676 -0.629 19622
4038 1 9 . 1 1 47 47 GLY H H 47 9.815 9.815 8.306 1.509 19622
4039 1 9 . 1 1 48 48 LYS N N 48 120.076 120.076 119.585 0.491 19622
4040 1 9 . 1 1 48 48 LYS HA H 48 4.936 4.936 4.956 -0.020 19622
4041 1 9 . 1 1 48 48 LYS C C 48 175.432 175.432 175.562 -0.130 19622
4042 1 9 . 1 1 48 48 LYS CA C 48 54.866 54.866 53.888 0.978 19622
4043 1 9 . 1 1 48 48 LYS CB C 48 36.588 36.588 35.178 1.410 19622
4044 1 9 . 1 1 48 48 LYS H H 48 9.129 9.129 8.909 0.220 19622
4045 1 9 . 1 1 49 49 VAL N N 49 127.642 127.642 125.706 1.936 19622
4046 1 9 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.906 0.034 19622
4047 1 9 . 1 1 49 49 VAL C C 49 175.133 175.133 175.450 -0.317 19622
4048 1 9 . 1 1 49 49 VAL CA C 49 63.365 63.365 63.819 -0.454 19622
4049 1 9 . 1 1 49 49 VAL CB C 49 31.981 31.981 32.060 -0.079 19622
4050 1 9 . 1 1 49 49 VAL H H 49 9.523 9.523 7.907 1.616 19622
4051 1 9 . 1 1 50 50 ALA N N 50 102.132 102.132 131.174 -29.042 19622
4052 1 9 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.319 0.114 19622
4053 1 9 . 1 1 50 50 ALA C C 50 177.108 177.108 176.925 0.183 19622
4054 1 9 . 1 1 50 50 ALA CA C 50 52.234 52.234 52.800 -0.566 19622
4055 1 9 . 1 1 50 50 ALA CB C 50 19.925 19.925 19.784 0.141 19622
4056 1 9 . 1 1 50 50 ALA H H 50 8.792 8.792 8.867 -0.075 19622
4057 1 9 . 1 1 51 51 ALA N N 51 119.480 119.480 118.674 0.806 19622
4058 1 9 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.601 -0.101 19622
4059 1 9 . 1 1 51 51 ALA C C 51 176.563 176.563 176.716 -0.153 19622
4060 1 9 . 1 1 51 51 ALA CA C 51 52.396 52.396 50.904 1.492 19622
4061 1 9 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.418 1.290 19622
4062 1 9 . 1 1 51 51 ALA H H 51 7.745 7.745 7.908 -0.163 19622
4063 1 9 . 1 1 52 52 GLY N N 52 108.710 108.710 108.513 0.197 19622
4064 1 9 . 1 1 52 52 GLY C C 52 172.018 172.018 173.756 -1.738 19622
4065 1 9 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.506 -1.477 19622
4066 1 9 . 1 1 52 52 GLY H H 52 8.516 8.516 8.620 -0.104 19622
4067 1 9 . 1 1 53 53 THR N N 53 106.654 106.654 111.288 -4.634 19622
4068 1 9 . 1 1 53 53 THR HA H 53 4.707 4.707 4.545 0.162 19622
4069 1 9 . 1 1 53 53 THR C C 53 173.198 173.198 172.598 0.600 19622
4070 1 9 . 1 1 53 53 THR CA C 53 59.740 59.740 60.080 -0.339 19622
4071 1 9 . 1 1 53 53 THR CB C 53 72.296 72.296 72.143 0.153 19622
4072 1 9 . 1 1 53 53 THR H H 53 7.932 7.932 7.899 0.033 19622
4073 1 9 . 1 1 54 54 VAL N N 54 110.217 110.217 113.755 -3.538 19622
4074 1 9 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.728 0.302 19622
4075 1 9 . 1 1 54 54 VAL C C 54 174.681 174.681 173.968 0.713 19622
4076 1 9 . 1 1 54 54 VAL CA C 54 58.343 58.343 59.148 -0.805 19622
4077 1 9 . 1 1 54 54 VAL CB C 54 36.031 36.031 35.551 0.480 19622
4078 1 9 . 1 1 54 54 VAL H H 54 8.211 8.211 8.161 0.050 19622
4079 1 9 . 1 1 55 55 ASP N N 55 121.085 121.085 120.984 0.101 19622
4080 1 9 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.828 0.191 19622
4081 1 9 . 1 1 55 55 ASP C C 55 175.900 175.900 175.073 0.827 19622
4082 1 9 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.310 -0.131 19622
4083 1 9 . 1 1 55 55 ASP CB C 55 43.430 43.430 41.651 1.779 19622
4084 1 9 . 1 1 55 55 ASP H H 55 9.535 9.535 8.853 0.682 19622
4085 1 9 . 1 1 56 56 GLN N N 56 124.248 124.248 125.060 -0.812 19622
4086 1 9 . 1 1 56 56 GLN HA H 56 5.532 5.532 4.767 0.765 19622
4087 1 9 . 1 1 56 56 GLN C C 56 176.233 176.233 175.840 0.393 19622
4088 1 9 . 1 1 56 56 GLN CA C 56 53.067 53.067 54.356 -1.289 19622
4089 1 9 . 1 1 56 56 GLN CB C 56 28.423 28.423 27.770 0.653 19622
4090 1 9 . 1 1 56 56 GLN H H 56 9.270 9.270 8.370 0.900 19622
4091 1 9 . 1 1 57 57 SER N N 57 118.299 118.299 117.967 0.332 19622
4092 1 9 . 1 1 57 57 SER HA H 57 4.234 4.234 4.183 0.051 19622
4093 1 9 . 1 1 57 57 SER C C 57 175.154 175.154 175.608 -0.454 19622
4094 1 9 . 1 1 57 57 SER CA C 57 62.676 62.676 61.036 1.640 19622
4095 1 9 . 1 1 57 57 SER CB C 57 63.213 63.213 63.255 -0.042 19622
4096 1 9 . 1 1 57 57 SER H H 57 8.491 8.491 7.832 0.659 19622
4097 1 9 . 1 1 58 58 ASP N N 58 119.055 119.055 122.074 -3.019 19622
4098 1 9 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.762 -0.043 19622
4099 1 9 . 1 1 58 58 ASP C C 58 176.196 176.196 174.391 1.805 19622
4100 1 9 . 1 1 58 58 ASP CA C 58 55.408 55.408 53.815 1.593 19622
4101 1 9 . 1 1 58 58 ASP CB C 58 40.293 40.293 39.922 0.371 19622
4102 1 9 . 1 1 58 58 ASP H H 58 8.885 8.885 8.366 0.519 19622
4103 1 9 . 1 1 59 59 GLN N N 59 122.287 122.287 119.626 2.661 19622
4104 1 9 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.278 -0.063 19622
4105 1 9 . 1 1 59 59 GLN C C 59 174.169 174.169 176.152 -1.983 19622
4106 1 9 . 1 1 59 59 GLN CA C 59 55.943 55.943 56.414 -0.471 19622
4107 1 9 . 1 1 59 59 GLN CB C 59 29.290 29.290 29.445 -0.155 19622
4108 1 9 . 1 1 59 59 GLN H H 59 8.394 8.394 7.471 0.923 19622
4109 1 9 . 1 1 60 60 SER N N 60 113.844 113.844 120.285 -6.441 19622
4110 1 9 . 1 1 60 60 SER HA H 60 4.729 4.729 4.504 0.225 19622
4111 1 9 . 1 1 60 60 SER C C 60 173.467 173.467 173.180 0.287 19622
4112 1 9 . 1 1 60 60 SER CA C 60 58.201 58.201 59.072 -0.871 19622
4113 1 9 . 1 1 60 60 SER CB C 60 65.221 65.221 63.717 1.504 19622
4114 1 9 . 1 1 60 60 SER H H 60 8.871 8.871 8.791 0.080 19622
4115 1 9 . 1 1 61 61 PHE N N 61 123.610 123.610 117.954 5.656 19622
4116 1 9 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.551 -0.154 19622
4117 1 9 . 1 1 61 61 PHE C C 61 176.268 176.268 174.053 2.215 19622
4118 1 9 . 1 1 61 61 PHE CA C 61 60.986 60.986 57.605 3.381 19622
4119 1 9 . 1 1 61 61 PHE CB C 61 43.362 43.362 39.512 3.850 19622
4120 1 9 . 1 1 61 61 PHE H H 61 7.691 7.691 7.738 -0.047 19622
4121 1 9 . 1 1 62 62 LEU N N 62 121.203 121.203 119.842 1.361 19622
4122 1 9 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.183 0.163 19622
4123 1 9 . 1 1 62 62 LEU C C 62 177.920 177.920 175.328 2.592 19622
4124 1 9 . 1 1 62 62 LEU CA C 62 54.152 54.152 55.006 -0.854 19622
4125 1 9 . 1 1 62 62 LEU CB C 62 42.638 42.638 42.480 0.158 19622
4126 1 9 . 1 1 62 62 LEU H H 62 10.705 10.705 7.684 3.021 19622
4127 1 9 . 1 1 63 63 ASP N N 63 121.418 121.418 118.684 2.734 19622
4128 1 9 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.689 -0.009 19622
4129 1 9 . 1 1 63 63 ASP C C 63 176.479 176.479 176.303 0.176 19622
4130 1 9 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.355 -1.617 19622
4131 1 9 . 1 1 63 63 ASP CB C 63 41.706 41.706 43.237 -1.532 19622
4132 1 9 . 1 1 63 63 ASP H H 63 8.672 8.672 8.248 0.424 19622
4133 1 9 . 1 1 64 64 ASP N N 64 117.220 117.220 119.834 -2.614 19622
4134 1 9 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.366 -0.083 19622
4135 1 9 . 1 1 64 64 ASP C C 64 179.309 179.309 177.966 1.343 19622
4136 1 9 . 1 1 64 64 ASP CA C 64 57.917 57.917 57.468 0.449 19622
4137 1 9 . 1 1 64 64 ASP CB C 64 40.862 40.862 41.027 -0.165 19622
4138 1 9 . 1 1 64 64 ASP H H 64 8.282 8.282 8.667 -0.385 19622
4139 1 9 . 1 1 65 65 ALA N N 65 125.398 125.398 121.812 3.586 19622
4140 1 9 . 1 1 65 65 ALA HA H 65 4.137 4.137 4.077 0.060 19622
4141 1 9 . 1 1 65 65 ALA C C 65 180.917 180.917 179.842 1.075 19622
4142 1 9 . 1 1 65 65 ALA CA C 65 54.858 54.858 54.912 -0.054 19622
4143 1 9 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.049 -0.300 19622
4144 1 9 . 1 1 65 65 ALA H H 65 8.215 8.215 8.328 -0.113 19622
4145 1 9 . 1 1 66 66 GLN N N 66 119.386 119.386 117.496 1.890 19622
4146 1 9 . 1 1 66 66 GLN HA H 66 4.315 4.315 4.081 0.234 19622
4147 1 9 . 1 1 66 66 GLN C C 66 180.587 180.587 178.457 2.130 19622
4148 1 9 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.506 0.545 19622
4149 1 9 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.311 0.416 19622
4150 1 9 . 1 1 66 66 GLN H H 66 8.821 8.821 7.534 1.287 19622
4151 1 9 . 1 1 67 67 MET N N 67 118.975 118.975 120.698 -1.723 19622
4152 1 9 . 1 1 67 67 MET HA H 67 4.432 4.432 4.503 -0.071 19622
4153 1 9 . 1 1 67 67 MET C C 67 181.267 181.267 178.240 3.027 19622
4154 1 9 . 1 1 67 67 MET CA C 67 59.988 59.988 58.613 1.375 19622
4155 1 9 . 1 1 67 67 MET CB C 67 33.535 33.535 32.657 0.878 19622
4156 1 9 . 1 1 67 67 MET H H 67 8.504 8.504 7.701 0.803 19622
4157 1 9 . 1 1 68 68 GLY N N 68 110.904 110.904 106.350 4.554 19622
4158 1 9 . 1 1 68 68 GLY C C 68 174.778 174.778 175.707 -0.929 19622
4159 1 9 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.514 0.173 19622
4160 1 9 . 1 1 68 68 GLY H H 68 8.697 8.697 7.994 0.703 19622
4161 1 9 . 1 1 69 69 ASN N N 69 118.203 118.203 118.770 -0.567 19622
4162 1 9 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.426 0.466 19622
4163 1 9 . 1 1 69 69 ASN C C 69 174.610 174.610 175.300 -0.690 19622
4164 1 9 . 1 1 69 69 ASN CA C 69 53.121 53.121 53.047 0.073 19622
4165 1 9 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.596 0.798 19622
4166 1 9 . 1 1 69 69 ASN H H 69 7.536 7.536 7.788 -0.252 19622
4167 1 9 . 1 1 70 70 GLY N N 70 104.994 104.994 105.510 -0.516 19622
4168 1 9 . 1 1 70 70 GLY C C 70 174.423 174.423 173.510 0.913 19622
4169 1 9 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.646 0.532 19622
4170 1 9 . 1 1 70 70 GLY H H 70 7.725 7.725 7.443 0.282 19622
4171 1 9 . 1 1 71 71 PHE N N 71 117.987 117.987 119.601 -1.614 19622
4172 1 9 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.869 0.172 19622
4173 1 9 . 1 1 71 71 PHE C C 71 175.618 175.618 174.330 1.288 19622
4174 1 9 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.519 4.971 19622
4175 1 9 . 1 1 71 71 PHE CB C 71 39.860 39.860 40.973 -1.113 19622
4176 1 9 . 1 1 71 71 PHE H H 71 7.750 7.750 7.928 -0.178 19622
4177 1 9 . 1 1 72 72 VAL N N 72 117.069 117.069 116.993 0.076 19622
4178 1 9 . 1 1 72 72 VAL HA H 72 5.073 5.073 4.591 0.482 19622
4179 1 9 . 1 1 72 72 VAL CA C 72 57.273 57.273 59.776 -2.503 19622
4180 1 9 . 1 1 72 72 VAL CB C 72 34.219 34.219 35.780 -1.561 19622
4181 1 9 . 1 1 72 72 VAL H H 72 8.578 8.578 9.154 -0.576 19622
4182 1 9 . 1 1 76 76 VAL HA H 76 2.939 2.939 4.307 -1.368 19622
4183 1 9 . 1 1 76 76 VAL C C 76 172.825 172.825 174.083 -1.258 19622
4184 1 9 . 1 1 76 76 VAL CA C 76 59.273 59.273 61.191 -1.917 19622
4185 1 9 . 1 1 76 76 VAL CB C 76 31.330 31.330 30.785 0.545 19622
4186 1 9 . 1 1 77 77 ALA N N 77 120.939 120.939 122.728 -1.789 19622
4187 1 9 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.118 0.023 19622
4188 1 9 . 1 1 77 77 ALA C C 77 175.744 175.744 175.186 0.558 19622
4189 1 9 . 1 1 77 77 ALA CA C 77 49.687 49.687 51.282 -1.595 19622
4190 1 9 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.351 -0.012 19622
4191 1 9 . 1 1 77 77 ALA H H 77 6.318 6.318 7.575 -1.257 19622
4192 1 9 . 1 1 78 78 TYR N N 78 122.466 122.466 117.061 5.405 19622
4193 1 9 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.096 0.284 19622
4194 1 9 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.432 -0.036 19622
4195 1 9 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.377 0.283 19622
4196 1 9 . 1 1 78 78 TYR H H 78 9.113 9.113 7.664 1.449 19622
4197 1 9 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.725 0.019 19622
4198 1 9 . 1 1 79 79 PRO C C 79 176.434 176.434 177.150 -0.716 19622
4199 1 9 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.925 0.420 19622
4200 1 9 . 1 1 79 79 PRO CB C 79 31.141 31.141 32.042 -0.901 19622
4201 1 9 . 1 1 80 80 THR N N 80 110.712 110.712 113.035 -2.323 19622
4202 1 9 . 1 1 80 80 THR HA H 80 4.204 4.204 4.043 0.161 19622
4203 1 9 . 1 1 80 80 THR C C 80 171.733 171.733 174.165 -2.432 19622
4204 1 9 . 1 1 80 80 THR CA C 80 60.121 60.121 62.126 -2.005 19622
4205 1 9 . 1 1 80 80 THR CB C 80 68.267 68.267 69.135 -0.868 19622
4206 1 9 . 1 1 80 80 THR H H 80 8.470 8.470 8.198 0.272 19622
4207 1 9 . 1 1 81 81 SER N N 81 114.994 114.994 115.664 -0.670 19622
4208 1 9 . 1 1 81 81 SER HA H 81 3.869 3.869 4.246 -0.377 19622
4209 1 9 . 1 1 81 81 SER C C 81 172.754 172.754 172.167 0.587 19622
4210 1 9 . 1 1 81 81 SER CA C 81 57.892 57.892 56.564 1.328 19622
4211 1 9 . 1 1 81 81 SER CB C 81 66.405 66.405 65.411 0.994 19622
4212 1 9 . 1 1 81 81 SER H H 81 7.604 7.604 7.255 0.349 19622
4213 1 9 . 1 1 82 82 ASP N N 82 120.462 120.462 120.418 0.044 19622
4214 1 9 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.760 0.404 19622
4215 1 9 . 1 1 82 82 ASP C C 82 178.987 178.987 175.534 3.453 19622
4216 1 9 . 1 1 82 82 ASP CA C 82 56.313 56.313 54.418 1.895 19622
4217 1 9 . 1 1 82 82 ASP CB C 82 39.386 39.386 40.753 -1.367 19622
4218 1 9 . 1 1 82 82 ASP H H 82 8.690 8.690 8.643 0.047 19622
4219 1 9 . 1 1 83 83 CYS N N 83 120.974 120.974 118.669 2.305 19622
4220 1 9 . 1 1 83 83 CYS HA H 83 5.139 5.139 4.992 0.147 19622
4221 1 9 . 1 1 83 83 CYS C C 83 172.614 172.614 173.364 -0.750 19622
4222 1 9 . 1 1 83 83 CYS CA C 83 56.370 56.370 56.281 0.089 19622
4223 1 9 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.705 -0.155 19622
4224 1 9 . 1 1 83 83 CYS H H 83 8.922 8.922 8.291 0.631 19622
4225 1 9 . 1 1 84 84 THR N N 84 116.819 116.819 116.867 -0.048 19622
4226 1 9 . 1 1 84 84 THR HA H 84 5.464 5.464 4.978 0.486 19622
4227 1 9 . 1 1 84 84 THR C C 84 173.477 173.477 172.999 0.478 19622
4228 1 9 . 1 1 84 84 THR CA C 84 61.171 61.171 62.449 -1.278 19622
4229 1 9 . 1 1 84 84 THR CB C 84 70.791 70.791 70.275 0.516 19622
4230 1 9 . 1 1 84 84 THR H H 84 8.637 8.637 8.170 0.467 19622
4231 1 9 . 1 1 85 85 ILE N N 85 127.705 127.705 127.010 0.695 19622
4232 1 9 . 1 1 85 85 ILE HA H 85 4.831 4.831 4.949 -0.118 19622
4233 1 9 . 1 1 85 85 ILE C C 85 174.828 174.828 175.815 -0.987 19622
4234 1 9 . 1 1 85 85 ILE CA C 85 57.901 57.901 58.204 -0.303 19622
4235 1 9 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.340 2.227 19622
4236 1 9 . 1 1 85 85 ILE H H 85 9.433 9.433 9.003 0.430 19622
4237 1 9 . 1 1 86 86 GLN N N 86 128.424 128.424 128.800 -0.376 19622
4238 1 9 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.638 0.443 19622
4239 1 9 . 1 1 86 86 GLN C C 86 176.145 176.145 177.410 -1.265 19622
4240 1 9 . 1 1 86 86 GLN CA C 86 54.821 54.821 57.513 -2.692 19622
4241 1 9 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.574 -0.885 19622
4242 1 9 . 1 1 86 86 GLN H H 86 9.533 9.533 9.198 0.335 19622
4243 1 9 . 1 1 87 87 THR N N 87 117.634 117.634 118.965 -1.331 19622
4244 1 9 . 1 1 87 87 THR HA H 87 4.600 4.600 4.570 0.030 19622
4245 1 9 . 1 1 87 87 THR C C 87 175.822 175.822 176.103 -0.281 19622
4246 1 9 . 1 1 87 87 THR CA C 87 62.643 62.643 63.931 -1.288 19622
4247 1 9 . 1 1 87 87 THR CB C 87 68.604 68.604 69.113 -0.509 19622
4248 1 9 . 1 1 87 87 THR H H 87 8.292 8.292 9.075 -0.783 19622
4249 1 9 . 1 1 88 88 HIS N N 88 117.083 117.083 119.729 -2.646 19622
4250 1 9 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.681 -0.101 19622
4251 1 9 . 1 1 88 88 HIS C C 88 177.884 177.884 175.295 2.589 19622
4252 1 9 . 1 1 88 88 HIS CA C 88 58.580 58.580 56.833 1.747 19622
4253 1 9 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.617 -2.277 19622
4254 1 9 . 1 1 88 88 HIS H H 88 9.658 9.658 8.818 0.840 19622
4255 1 9 . 1 1 89 89 GLN N N 89 112.869 112.869 117.515 -4.646 19622
4256 1 9 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.441 0.294 19622
4257 1 9 . 1 1 89 89 GLN C C 89 175.239 175.239 176.590 -1.351 19622
4258 1 9 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.933 -0.984 19622
4259 1 9 . 1 1 89 89 GLN CB C 89 29.312 29.312 27.307 2.005 19622
4260 1 9 . 1 1 89 89 GLN H H 89 7.591 7.591 7.608 -0.017 19622
4261 1 9 . 1 1 90 90 GLU N N 90 122.583 122.583 123.076 -0.493 19622
4262 1 9 . 1 1 90 90 GLU HA H 90 3.588 3.588 3.902 -0.314 19622
4263 1 9 . 1 1 90 90 GLU C C 90 177.210 177.210 177.842 -0.632 19622
4264 1 9 . 1 1 90 90 GLU CA C 90 61.485 61.485 59.937 1.548 19622
4265 1 9 . 1 1 90 90 GLU CB C 90 29.147 29.147 28.997 0.150 19622
4266 1 9 . 1 1 90 90 GLU H H 90 8.327 8.327 7.773 0.554 19622
4267 1 9 . 1 1 91 91 GLU N N 91 115.209 115.209 119.744 -4.535 19622
4268 1 9 . 1 1 91 91 GLU HA H 91 4.041 4.041 4.098 -0.057 19622
4269 1 9 . 1 1 91 91 GLU C C 91 179.055 179.055 178.230 0.825 19622
4270 1 9 . 1 1 91 91 GLU CA C 91 59.647 59.647 58.874 0.773 19622
4271 1 9 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.323 -0.496 19622
4272 1 9 . 1 1 91 91 GLU H H 91 8.666 8.666 8.477 0.189 19622
4273 1 9 . 1 1 92 92 ALA N N 92 121.790 121.790 121.583 0.207 19622
4274 1 9 . 1 1 92 92 ALA HA H 92 4.212 4.212 3.953 0.259 19622
4275 1 9 . 1 1 92 92 ALA C C 92 179.762 179.762 179.177 0.585 19622
4276 1 9 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.585 -0.385 19622
4277 1 9 . 1 1 92 92 ALA CB C 92 16.917 16.917 17.715 -0.798 19622
4278 1 9 . 1 1 92 92 ALA H H 92 7.628 7.628 7.989 -0.361 19622
4279 1 9 . 1 1 93 93 LEU N N 93 119.699 119.699 118.398 1.301 19622
4280 1 9 . 1 1 93 93 LEU HA H 93 3.263 3.263 3.822 -0.559 19622
4281 1 9 . 1 1 93 93 LEU C C 93 177.803 177.803 178.205 -0.402 19622
4282 1 9 . 1 1 93 93 LEU CA C 93 57.031 57.031 56.963 0.068 19622
4283 1 9 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.523 -0.213 19622
4284 1 9 . 1 1 93 93 LEU H H 93 7.694 7.694 7.340 0.354 19622
4285 1 9 . 1 1 94 94 TYR N N 94 116.307 116.307 118.653 -2.346 19622
4286 1 9 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.149 0.225 19622
4287 1 9 . 1 1 94 94 TYR C C 94 176.548 176.548 176.760 -0.212 19622
4288 1 9 . 1 1 94 94 TYR CA C 94 58.822 58.822 60.738 -1.916 19622
4289 1 9 . 1 1 94 94 TYR CB C 94 38.500 38.500 39.538 -1.038 19622
4290 1 9 . 1 1 94 94 TYR H H 94 7.343 7.343 7.508 -0.165 19622
4291 1 9 . 1 1 95 95 GLU N N 95 120.194 120.194 115.582 4.612 19622
4292 1 9 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.289 -0.128 19622
4293 1 9 . 1 1 95 95 GLU C C 95 176.704 176.704 175.277 1.427 19622
4294 1 9 . 1 1 95 95 GLU CA C 95 57.795 57.795 56.735 1.060 19622
4295 1 9 . 1 1 95 95 GLU CB C 95 30.121 30.121 31.523 -1.402 19622
4296 1 9 . 1 1 95 95 GLU H H 95 7.707 7.707 8.302 -0.595 19622
4297 1 9 . 1 1 96 96 ASN N N 96 118.074 118.074 117.655 0.419 19622
4298 1 9 . 1 1 96 96 ASN HA H 96 4.580 4.580 4.864 -0.284 19622
4299 1 9 . 1 1 96 96 ASN C C 96 176.061 176.061 175.234 0.827 19622
4300 1 9 . 1 1 96 96 ASN CA C 96 54.092 54.092 53.233 0.859 19622
4301 1 9 . 1 1 96 96 ASN CB C 96 38.864 38.864 40.122 -1.258 19622
4302 1 9 . 1 1 96 96 ASN H H 96 8.195 8.195 8.131 0.064 19622
4303 1 9 . 1 1 97 97 LEU N N 97 120.760 120.760 122.144 -1.384 19622
4304 1 9 . 1 1 97 97 LEU HA H 97 4.142 4.142 4.289 -0.147 19622
4305 1 9 . 1 1 97 97 LEU C C 97 177.094 177.094 177.346 -0.252 19622
4306 1 9 . 1 1 97 97 LEU CA C 97 55.429 55.429 55.618 -0.189 19622
4307 1 9 . 1 1 97 97 LEU CB C 97 42.562 42.562 42.040 0.522 19622
4308 1 9 . 1 1 97 97 LEU H H 97 7.912 7.912 8.424 -0.512 19622
4309 1 9 . 1 1 98 98 TYR N N 98 118.892 118.892 114.084 4.808 19622
4310 1 9 . 1 1 98 98 TYR HA H 98 4.520 4.520 4.215 0.305 19622
4311 1 9 . 1 1 98 98 TYR C C 98 175.296 175.296 174.351 0.945 19622
4312 1 9 . 1 1 98 98 TYR CA C 98 57.640 57.640 58.522 -0.882 19622
4313 1 9 . 1 1 98 98 TYR CB C 98 38.660 38.660 37.203 1.457 19622
4314 1 9 . 1 1 98 98 TYR H H 98 7.898 7.898 7.956 -0.058 19622
4315 1 9 . 1 1 99 99 PHE N N 99 121.225 121.225 121.477 -0.252 19622
4316 1 9 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.564 -0.086 19622
4317 1 9 . 1 1 99 99 PHE C C 99 174.558 174.558 175.460 -0.902 19622
4318 1 9 . 1 1 99 99 PHE CA C 99 58.151 58.151 56.933 1.218 19622
4319 1 9 . 1 1 99 99 PHE CB C 99 39.561 39.561 36.989 2.572 19622
4320 1 9 . 1 1 99 99 PHE H H 99 7.931 7.931 7.895 0.036 19622
4321 1 10 . 1 1 1 1 TYR N N 1 121.776 121.776 119.903 1.873 19622
4322 1 10 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.710 0.190 19622
4323 1 10 . 1 1 1 1 TYR C C 1 174.477 174.477 175.470 -0.993 19622
4324 1 10 . 1 1 1 1 TYR CA C 1 57.340 57.340 57.034 0.306 19622
4325 1 10 . 1 1 1 1 TYR CB C 1 40.147 40.147 41.151 -1.004 19622
4326 1 10 . 1 1 1 1 TYR H H 1 8.204 8.204 8.556 -0.352 19622
4327 1 10 . 1 1 2 2 LYS N N 2 122.911 122.911 125.077 -2.166 19622
4328 1 10 . 1 1 2 2 LYS HA H 2 4.719 4.719 4.884 -0.165 19622
4329 1 10 . 1 1 2 2 LYS C C 2 176.369 176.369 175.373 0.996 19622
4330 1 10 . 1 1 2 2 LYS CA C 2 55.408 55.408 56.026 -0.618 19622
4331 1 10 . 1 1 2 2 LYS CB C 2 32.636 32.636 33.045 -0.409 19622
4332 1 10 . 1 1 2 2 LYS H H 2 9.291 9.291 8.796 0.495 19622
4333 1 10 . 1 1 3 3 VAL N N 3 128.453 128.453 127.348 1.105 19622
4334 1 10 . 1 1 3 3 VAL HA H 3 4.974 4.974 5.174 -0.200 19622
4335 1 10 . 1 1 3 3 VAL C C 3 175.283 175.283 174.335 0.948 19622
4336 1 10 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.381 1.020 19622
4337 1 10 . 1 1 3 3 VAL CB C 3 33.332 33.332 34.760 -1.428 19622
4338 1 10 . 1 1 3 3 VAL H H 3 9.268 9.268 8.821 0.447 19622
4339 1 10 . 1 1 4 4 THR N N 4 126.298 126.298 125.404 0.894 19622
4340 1 10 . 1 1 4 4 THR HA H 4 4.316 4.316 4.720 -0.404 19622
4341 1 10 . 1 1 4 4 THR C C 4 172.907 172.907 174.342 -1.435 19622
4342 1 10 . 1 1 4 4 THR CA C 4 63.342 63.342 62.926 0.416 19622
4343 1 10 . 1 1 4 4 THR CB C 4 69.170 69.170 68.624 0.547 19622
4344 1 10 . 1 1 4 4 THR H H 4 9.623 9.623 9.201 0.422 19622
4345 1 10 . 1 1 5 5 LEU N N 5 130.058 130.058 130.529 -0.471 19622
4346 1 10 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.854 0.319 19622
4347 1 10 . 1 1 5 5 LEU C C 5 174.969 174.969 176.230 -1.261 19622
4348 1 10 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.614 -1.893 19622
4349 1 10 . 1 1 5 5 LEU CB C 5 41.530 41.530 43.220 -1.690 19622
4350 1 10 . 1 1 5 5 LEU H H 5 9.554 9.554 9.351 0.203 19622
4351 1 10 . 1 1 6 6 LYS N N 6 124.882 124.882 126.459 -1.577 19622
4352 1 10 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.648 0.236 19622
4353 1 10 . 1 1 6 6 LYS C C 6 175.730 175.730 175.274 0.456 19622
4354 1 10 . 1 1 6 6 LYS CA C 6 55.335 55.335 54.190 1.145 19622
4355 1 10 . 1 1 6 6 LYS CB C 6 31.006 31.006 31.995 -0.989 19622
4356 1 10 . 1 1 6 6 LYS H H 6 9.072 9.072 8.727 0.345 19622
4357 1 10 . 1 1 7 7 THR N N 7 117.987 117.987 116.390 1.597 19622
4358 1 10 . 1 1 7 7 THR HA H 7 5.708 5.708 5.286 0.422 19622
4359 1 10 . 1 1 7 7 THR CA C 7 59.875 59.875 58.383 1.492 19622
4360 1 10 . 1 1 7 7 THR CB C 7 69.582 69.582 70.011 -0.429 19622
4361 1 10 . 1 1 7 7 THR H H 7 7.750 7.750 7.845 -0.095 19622
4362 1 10 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.357 -0.023 19622
4363 1 10 . 1 1 8 8 PRO C C 8 177.136 177.136 176.569 0.567 19622
4364 1 10 . 1 1 8 8 PRO CA C 8 64.777 64.777 64.433 0.344 19622
4365 1 10 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.645 0.088 19622
4366 1 10 . 1 1 9 9 SER N N 9 109.200 109.200 111.784 -2.584 19622
4367 1 10 . 1 1 9 9 SER HA H 9 4.629 4.629 4.525 0.104 19622
4368 1 10 . 1 1 9 9 SER C C 9 173.571 173.571 174.713 -1.142 19622
4369 1 10 . 1 1 9 9 SER CA C 9 57.371 57.371 58.924 -1.553 19622
4370 1 10 . 1 1 9 9 SER CB C 9 63.513 63.513 65.338 -1.825 19622
4371 1 10 . 1 1 9 9 SER H H 9 7.739 7.739 7.790 -0.051 19622
4372 1 10 . 1 1 10 10 GLY N N 10 110.027 110.027 110.097 -0.070 19622
4373 1 10 . 1 1 10 10 GLY C C 10 174.096 174.096 171.916 2.180 19622
4374 1 10 . 1 1 10 10 GLY CA C 10 43.987 43.987 44.713 -0.726 19622
4375 1 10 . 1 1 10 10 GLY H H 10 7.526 7.526 7.769 -0.243 19622
4376 1 10 . 1 1 11 11 ASP N N 11 123.154 123.154 119.476 3.678 19622
4377 1 10 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.113 0.557 19622
4378 1 10 . 1 1 11 11 ASP C C 11 176.750 176.750 175.943 0.807 19622
4379 1 10 . 1 1 11 11 ASP CA C 11 53.710 53.710 53.905 -0.195 19622
4380 1 10 . 1 1 11 11 ASP CB C 11 41.085 41.085 41.946 -0.861 19622
4381 1 10 . 1 1 11 11 ASP H H 11 8.808 8.808 8.453 0.355 19622
4382 1 10 . 1 1 12 12 LYS N N 12 123.685 123.685 122.398 1.287 19622
4383 1 10 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.642 0.036 19622
4384 1 10 . 1 1 12 12 LYS C C 12 174.777 174.777 174.668 0.109 19622
4385 1 10 . 1 1 12 12 LYS CA C 12 55.024 55.024 55.785 -0.761 19622
4386 1 10 . 1 1 12 12 LYS CB C 12 36.206 36.206 36.571 -0.365 19622
4387 1 10 . 1 1 12 12 LYS H H 12 9.108 9.108 8.731 0.377 19622
4388 1 10 . 1 1 13 13 THR N N 13 122.136 122.136 121.567 0.569 19622
4389 1 10 . 1 1 13 13 THR HA H 13 5.314 5.314 5.068 0.246 19622
4390 1 10 . 1 1 13 13 THR C C 13 174.082 174.082 174.486 -0.404 19622
4391 1 10 . 1 1 13 13 THR CA C 13 62.397 62.397 62.585 -0.188 19622
4392 1 10 . 1 1 13 13 THR CB C 13 69.809 69.809 69.210 0.599 19622
4393 1 10 . 1 1 13 13 THR H H 13 8.935 8.935 8.383 0.552 19622
4394 1 10 . 1 1 14 14 ILE N N 14 122.466 122.466 121.309 1.157 19622
4395 1 10 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.712 0.116 19622
4396 1 10 . 1 1 14 14 ILE C C 14 174.083 174.083 173.904 0.179 19622
4397 1 10 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.453 0.003 19622
4398 1 10 . 1 1 14 14 ILE CB C 14 41.510 41.510 41.825 -0.315 19622
4399 1 10 . 1 1 14 14 ILE H H 14 9.113 9.113 8.865 0.248 19622
4400 1 10 . 1 1 15 15 GLU N N 15 121.208 121.208 121.934 -0.726 19622
4401 1 10 . 1 1 15 15 GLU HA H 15 4.928 4.928 5.076 -0.148 19622
4402 1 10 . 1 1 15 15 GLU C C 15 175.553 175.553 175.398 0.155 19622
4403 1 10 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.294 -0.115 19622
4404 1 10 . 1 1 15 15 GLU CB C 15 31.093 31.093 30.473 0.620 19622
4405 1 10 . 1 1 15 15 GLU H H 15 8.510 8.510 8.520 -0.010 19622
4406 1 10 . 1 1 16 16 CYS N N 16 125.232 125.232 123.916 1.316 19622
4407 1 10 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.965 0.121 19622
4408 1 10 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.592 0.069 19622
4409 1 10 . 1 1 16 16 CYS CB C 16 31.298 31.298 29.833 1.465 19622
4410 1 10 . 1 1 16 16 CYS H H 16 9.306 9.306 8.537 0.769 19622
4411 1 10 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.322 0.213 19622
4412 1 10 . 1 1 17 17 PRO C C 17 175.733 175.733 176.511 -0.778 19622
4413 1 10 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.336 -0.446 19622
4414 1 10 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.253 0.889 19622
4415 1 10 . 1 1 18 18 ALA N N 18 120.277 120.277 120.520 -0.243 19622
4416 1 10 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.185 0.067 19622
4417 1 10 . 1 1 18 18 ALA C C 18 177.177 177.177 176.563 0.614 19622
4418 1 10 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.395 0.558 19622
4419 1 10 . 1 1 18 18 ALA CB C 18 19.449 19.449 18.748 0.700 19622
4420 1 10 . 1 1 18 18 ALA H H 18 8.622 8.622 8.437 0.185 19622
4421 1 10 . 1 1 19 19 ASP N N 19 112.081 112.081 110.457 1.624 19622
4422 1 10 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.082 0.041 19622
4423 1 10 . 1 1 19 19 ASP C C 19 175.263 175.263 175.168 0.095 19622
4424 1 10 . 1 1 19 19 ASP CA C 19 52.705 52.705 53.294 -0.589 19622
4425 1 10 . 1 1 19 19 ASP CB C 19 39.747 39.747 41.797 -2.050 19622
4426 1 10 . 1 1 19 19 ASP H H 19 7.950 7.950 7.744 0.206 19622
4427 1 10 . 1 1 20 20 THR N N 20 117.760 117.760 117.645 0.115 19622
4428 1 10 . 1 1 20 20 THR HA H 20 4.555 4.555 4.425 0.130 19622
4429 1 10 . 1 1 20 20 THR C C 20 171.521 171.521 173.346 -1.825 19622
4430 1 10 . 1 1 20 20 THR CA C 20 61.849 61.849 61.475 0.374 19622
4431 1 10 . 1 1 20 20 THR CB C 20 72.498 72.498 71.079 1.419 19622
4432 1 10 . 1 1 20 20 THR H H 20 7.550 7.550 7.033 0.517 19622
4433 1 10 . 1 1 21 21 TYR N N 21 124.181 124.181 124.724 -0.543 19622
4434 1 10 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.864 -0.174 19622
4435 1 10 . 1 1 21 21 TYR C C 21 171.626 171.626 177.022 -5.396 19622
4436 1 10 . 1 1 21 21 TYR CA C 21 55.120 55.120 55.739 -0.619 19622
4437 1 10 . 1 1 21 21 TYR CB C 21 38.570 38.570 37.675 0.895 19622
4438 1 10 . 1 1 21 21 TYR H H 21 8.594 8.594 8.217 0.377 19622
4439 1 10 . 1 1 22 22 ILE N N 22 120.076 120.076 123.498 -3.422 19622
4440 1 10 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.744 -0.029 19622
4441 1 10 . 1 1 22 22 ILE C C 22 177.421 177.421 178.217 -0.796 19622
4442 1 10 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.506 -0.065 19622
4443 1 10 . 1 1 22 22 ILE CB C 22 38.297 38.297 37.686 0.611 19622
4444 1 10 . 1 1 22 22 ILE H H 22 9.140 9.140 9.232 -0.091 19622
4445 1 10 . 1 1 23 23 LEU N N 23 115.378 115.378 117.187 -1.809 19622
4446 1 10 . 1 1 23 23 LEU HA H 23 3.869 3.869 3.966 -0.097 19622
4447 1 10 . 1 1 23 23 LEU C C 23 176.741 176.741 178.433 -1.692 19622
4448 1 10 . 1 1 23 23 LEU CA C 23 57.892 57.892 58.012 -0.120 19622
4449 1 10 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.770 1.859 19622
4450 1 10 . 1 1 23 23 LEU H H 23 7.382 7.382 7.744 -0.362 19622
4451 1 10 . 1 1 24 24 ASP N N 24 116.687 116.687 120.472 -3.785 19622
4452 1 10 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.338 -0.024 19622
4453 1 10 . 1 1 24 24 ASP C C 24 178.902 178.902 178.056 0.846 19622
4454 1 10 . 1 1 24 24 ASP CA C 24 57.792 57.792 58.098 -0.306 19622
4455 1 10 . 1 1 24 24 ASP CB C 24 39.971 39.971 40.806 -0.835 19622
4456 1 10 . 1 1 24 24 ASP H H 24 6.747 6.747 8.514 -1.767 19622
4457 1 10 . 1 1 25 25 ALA N N 25 122.742 122.742 121.606 1.136 19622
4458 1 10 . 1 1 25 25 ALA HA H 25 4.231 4.231 4.081 0.150 19622
4459 1 10 . 1 1 25 25 ALA C C 25 180.559 180.559 179.329 1.230 19622
4460 1 10 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.593 0.297 19622
4461 1 10 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.311 0.881 19622
4462 1 10 . 1 1 25 25 ALA H H 25 8.045 8.045 7.542 0.503 19622
4463 1 10 . 1 1 26 26 ALA N N 26 122.264 122.264 122.818 -0.554 19622
4464 1 10 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.938 0.006 19622
4465 1 10 . 1 1 26 26 ALA C C 26 179.219 179.219 179.445 -0.226 19622
4466 1 10 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.441 -0.016 19622
4467 1 10 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.570 0.125 19622
4468 1 10 . 1 1 26 26 ALA H H 26 8.701 8.701 8.510 0.191 19622
4469 1 10 . 1 1 27 27 GLU N N 27 119.508 119.508 117.698 1.810 19622
4470 1 10 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.252 0.051 19622
4471 1 10 . 1 1 27 27 GLU C C 27 169.931 169.931 178.867 -8.936 19622
4472 1 10 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.147 1.396 19622
4473 1 10 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.243 0.215 19622
4474 1 10 . 1 1 27 27 GLU H H 27 8.567 8.567 8.394 0.173 19622
4475 1 10 . 1 1 28 28 GLU N N 28 122.658 122.658 120.791 1.867 19622
4476 1 10 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.060 0.045 19622
4477 1 10 . 1 1 28 28 GLU C C 28 177.634 177.634 177.956 -0.322 19622
4478 1 10 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.694 0.570 19622
4479 1 10 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.221 -0.166 19622
4480 1 10 . 1 1 28 28 GLU H H 28 8.164 8.164 7.679 0.485 19622
4481 1 10 . 1 1 29 29 ALA N N 29 119.216 119.216 117.804 1.412 19622
4482 1 10 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.153 0.323 19622
4483 1 10 . 1 1 29 29 ALA C C 29 177.282 177.282 177.183 0.099 19622
4484 1 10 . 1 1 29 29 ALA CA C 29 52.052 52.052 53.309 -1.257 19622
4485 1 10 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.759 -0.644 19622
4486 1 10 . 1 1 29 29 ALA H H 29 7.433 7.433 8.024 -0.591 19622
4487 1 10 . 1 1 30 30 GLY N N 30 106.654 106.654 103.791 2.863 19622
4488 1 10 . 1 1 30 30 GLY C C 30 174.629 174.629 174.521 0.108 19622
4489 1 10 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.511 0.880 19622
4490 1 10 . 1 1 30 30 GLY H H 30 7.932 7.932 7.498 0.434 19622
4491 1 10 . 1 1 31 31 LEU N N 31 121.203 121.203 120.777 0.426 19622
4492 1 10 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.544 -0.088 19622
4493 1 10 . 1 1 31 31 LEU C C 31 175.406 175.406 177.049 -1.643 19622
4494 1 10 . 1 1 31 31 LEU CA C 31 54.656 54.656 53.918 0.738 19622
4495 1 10 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.163 0.466 19622
4496 1 10 . 1 1 31 31 LEU H H 31 8.078 8.078 7.691 0.387 19622
4497 1 10 . 1 1 32 32 ASP N N 32 121.884 121.884 124.440 -2.556 19622
4498 1 10 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.667 0.242 19622
4499 1 10 . 1 1 32 32 ASP C C 32 174.882 174.882 174.845 0.037 19622
4500 1 10 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.512 -0.393 19622
4501 1 10 . 1 1 32 32 ASP CB C 32 41.068 41.068 39.934 1.134 19622
4502 1 10 . 1 1 32 32 ASP H H 32 8.418 8.418 8.748 -0.330 19622
4503 1 10 . 1 1 33 33 LEU N N 33 124.734 124.734 121.642 3.092 19622
4504 1 10 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.669 -0.004 19622
4505 1 10 . 1 1 33 33 LEU CA C 33 51.940 51.940 52.156 -0.216 19622
4506 1 10 . 1 1 33 33 LEU CB C 33 42.403 42.403 43.681 -1.278 19622
4507 1 10 . 1 1 33 33 LEU H H 33 8.088 8.088 7.612 0.476 19622
4508 1 10 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.445 -0.073 19622
4509 1 10 . 1 1 34 34 PRO CA C 34 62.760 62.760 62.907 -0.147 19622
4510 1 10 . 1 1 34 34 PRO CB C 34 32.298 32.298 32.184 0.114 19622
4511 1 10 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.436 0.293 19622
4512 1 10 . 1 1 46 46 ALA C C 46 178.058 178.058 177.661 0.397 19622
4513 1 10 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.142 2.062 19622
4514 1 10 . 1 1 46 46 ALA CB C 46 18.088 18.088 19.181 -1.093 19622
4515 1 10 . 1 1 47 47 GLY N N 47 112.650 112.650 112.548 0.102 19622
4516 1 10 . 1 1 47 47 GLY C C 47 178.913 178.913 172.537 6.376 19622
4517 1 10 . 1 1 47 47 GLY CA C 47 44.047 44.047 44.907 -0.860 19622
4518 1 10 . 1 1 47 47 GLY H H 47 9.815 9.815 8.549 1.266 19622
4519 1 10 . 1 1 48 48 LYS N N 48 120.076 120.076 119.754 0.322 19622
4520 1 10 . 1 1 48 48 LYS HA H 48 4.936 4.936 4.859 0.077 19622
4521 1 10 . 1 1 48 48 LYS C C 48 175.432 175.432 175.253 0.179 19622
4522 1 10 . 1 1 48 48 LYS CA C 48 54.866 54.866 54.452 0.414 19622
4523 1 10 . 1 1 48 48 LYS CB C 48 36.588 36.588 35.833 0.755 19622
4524 1 10 . 1 1 48 48 LYS H H 48 9.129 9.129 8.969 0.160 19622
4525 1 10 . 1 1 49 49 VAL N N 49 127.642 127.642 127.108 0.534 19622
4526 1 10 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.888 0.052 19622
4527 1 10 . 1 1 49 49 VAL C C 49 175.133 175.133 175.920 -0.787 19622
4528 1 10 . 1 1 49 49 VAL CA C 49 63.365 63.365 63.452 -0.087 19622
4529 1 10 . 1 1 49 49 VAL CB C 49 31.981 31.981 30.409 1.572 19622
4530 1 10 . 1 1 49 49 VAL H H 49 9.523 9.523 9.011 0.512 19622
4531 1 10 . 1 1 50 50 ALA N N 50 102.132 102.132 130.717 -28.585 19622
4532 1 10 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.424 0.009 19622
4533 1 10 . 1 1 50 50 ALA C C 50 177.108 177.108 177.090 0.018 19622
4534 1 10 . 1 1 50 50 ALA CA C 50 52.234 52.234 53.059 -0.825 19622
4535 1 10 . 1 1 50 50 ALA CB C 50 19.925 19.925 20.053 -0.128 19622
4536 1 10 . 1 1 50 50 ALA H H 50 8.792 8.792 8.403 0.389 19622
4537 1 10 . 1 1 51 51 ALA N N 51 119.480 119.480 119.090 0.390 19622
4538 1 10 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.609 -0.109 19622
4539 1 10 . 1 1 51 51 ALA C C 51 176.563 176.563 176.729 -0.166 19622
4540 1 10 . 1 1 51 51 ALA CA C 51 52.396 52.396 51.103 1.293 19622
4541 1 10 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.245 1.463 19622
4542 1 10 . 1 1 51 51 ALA H H 51 7.745 7.745 8.079 -0.334 19622
4543 1 10 . 1 1 52 52 GLY N N 52 108.710 108.710 107.423 1.287 19622
4544 1 10 . 1 1 52 52 GLY C C 52 172.018 172.018 173.829 -1.811 19622
4545 1 10 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.341 -1.312 19622
4546 1 10 . 1 1 52 52 GLY H H 52 8.516 8.516 8.513 0.003 19622
4547 1 10 . 1 1 53 53 THR N N 53 106.654 106.654 111.638 -4.984 19622
4548 1 10 . 1 1 53 53 THR HA H 53 4.707 4.707 4.580 0.127 19622
4549 1 10 . 1 1 53 53 THR C C 53 173.198 173.198 172.747 0.451 19622
4550 1 10 . 1 1 53 53 THR CA C 53 59.740 59.740 60.235 -0.495 19622
4551 1 10 . 1 1 53 53 THR CB C 53 72.296 72.296 72.051 0.245 19622
4552 1 10 . 1 1 53 53 THR H H 53 7.932 7.932 8.006 -0.074 19622
4553 1 10 . 1 1 54 54 VAL N N 54 110.217 110.217 115.304 -5.087 19622
4554 1 10 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.822 0.208 19622
4555 1 10 . 1 1 54 54 VAL C C 54 174.681 174.681 173.985 0.696 19622
4556 1 10 . 1 1 54 54 VAL CA C 54 58.343 58.343 59.110 -0.767 19622
4557 1 10 . 1 1 54 54 VAL CB C 54 36.031 36.031 35.527 0.504 19622
4558 1 10 . 1 1 54 54 VAL H H 54 8.211 8.211 8.098 0.113 19622
4559 1 10 . 1 1 55 55 ASP N N 55 121.085 121.085 120.648 0.437 19622
4560 1 10 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.783 0.236 19622
4561 1 10 . 1 1 55 55 ASP C C 55 175.900 175.900 175.097 0.803 19622
4562 1 10 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.269 -0.090 19622
4563 1 10 . 1 1 55 55 ASP CB C 55 43.430 43.430 41.062 2.368 19622
4564 1 10 . 1 1 55 55 ASP H H 55 9.535 9.535 8.698 0.837 19622
4565 1 10 . 1 1 56 56 GLN N N 56 124.248 124.248 124.388 -0.140 19622
4566 1 10 . 1 1 56 56 GLN HA H 56 5.532 5.532 4.801 0.731 19622
4567 1 10 . 1 1 56 56 GLN C C 56 176.233 176.233 175.549 0.684 19622
4568 1 10 . 1 1 56 56 GLN CA C 56 53.067 53.067 54.583 -1.516 19622
4569 1 10 . 1 1 56 56 GLN CB C 56 28.423 28.423 28.061 0.362 19622
4570 1 10 . 1 1 56 56 GLN H H 56 9.270 9.270 8.059 1.211 19622
4571 1 10 . 1 1 57 57 SER N N 57 118.299 118.299 118.086 0.213 19622
4572 1 10 . 1 1 57 57 SER HA H 57 4.234 4.234 4.145 0.089 19622
4573 1 10 . 1 1 57 57 SER C C 57 175.154 175.154 175.114 0.040 19622
4574 1 10 . 1 1 57 57 SER CA C 57 62.676 62.676 61.655 1.021 19622
4575 1 10 . 1 1 57 57 SER CB C 57 63.213 63.213 63.232 -0.019 19622
4576 1 10 . 1 1 57 57 SER H H 57 8.491 8.491 8.302 0.189 19622
4577 1 10 . 1 1 58 58 ASP N N 58 119.055 119.055 118.699 0.356 19622
4578 1 10 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.666 0.053 19622
4579 1 10 . 1 1 58 58 ASP C C 58 176.196 176.196 175.439 0.757 19622
4580 1 10 . 1 1 58 58 ASP CA C 58 55.408 55.408 53.045 2.362 19622
4581 1 10 . 1 1 58 58 ASP CB C 58 40.293 40.293 38.930 1.363 19622
4582 1 10 . 1 1 58 58 ASP H H 58 8.885 8.885 8.643 0.242 19622
4583 1 10 . 1 1 59 59 GLN N N 59 122.287 122.287 120.403 1.884 19622
4584 1 10 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.041 0.174 19622
4585 1 10 . 1 1 59 59 GLN C C 59 174.169 174.169 175.459 -1.290 19622
4586 1 10 . 1 1 59 59 GLN CA C 59 55.943 55.943 58.125 -2.182 19622
4587 1 10 . 1 1 59 59 GLN CB C 59 29.290 29.290 29.604 -0.313 19622
4588 1 10 . 1 1 59 59 GLN H H 59 8.394 8.394 7.724 0.670 19622
4589 1 10 . 1 1 60 60 SER N N 60 113.844 113.844 113.945 -0.101 19622
4590 1 10 . 1 1 60 60 SER HA H 60 4.729 4.729 4.645 0.084 19622
4591 1 10 . 1 1 60 60 SER C C 60 173.467 173.467 174.586 -1.119 19622
4592 1 10 . 1 1 60 60 SER CA C 60 58.201 58.201 58.842 -0.641 19622
4593 1 10 . 1 1 60 60 SER CB C 60 65.221 65.221 64.830 0.391 19622
4594 1 10 . 1 1 60 60 SER H H 60 8.871 8.871 8.571 0.300 19622
4595 1 10 . 1 1 61 61 PHE N N 61 123.610 123.610 119.269 4.341 19622
4596 1 10 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.872 -0.475 19622
4597 1 10 . 1 1 61 61 PHE C C 61 176.268 176.268 174.837 1.431 19622
4598 1 10 . 1 1 61 61 PHE CA C 61 60.986 60.986 56.942 4.044 19622
4599 1 10 . 1 1 61 61 PHE CB C 61 43.362 43.362 39.499 3.863 19622
4600 1 10 . 1 1 61 61 PHE H H 61 7.691 7.691 7.932 -0.241 19622
4601 1 10 . 1 1 62 62 LEU N N 62 121.203 121.203 122.587 -1.384 19622
4602 1 10 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.433 -0.087 19622
4603 1 10 . 1 1 62 62 LEU C C 62 177.920 177.920 175.873 2.047 19622
4604 1 10 . 1 1 62 62 LEU CA C 62 54.152 54.152 54.477 -0.325 19622
4605 1 10 . 1 1 62 62 LEU CB C 62 42.638 42.638 43.124 -0.486 19622
4606 1 10 . 1 1 62 62 LEU H H 62 10.705 10.705 7.397 3.308 19622
4607 1 10 . 1 1 63 63 ASP N N 63 121.418 121.418 124.858 -3.440 19622
4608 1 10 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.743 -0.063 19622
4609 1 10 . 1 1 63 63 ASP C C 63 176.479 176.479 176.504 -0.025 19622
4610 1 10 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.189 -1.451 19622
4611 1 10 . 1 1 63 63 ASP CB C 63 41.706 41.706 43.995 -2.289 19622
4612 1 10 . 1 1 63 63 ASP H H 63 8.672 8.672 8.349 0.323 19622
4613 1 10 . 1 1 64 64 ASP N N 64 117.220 117.220 120.077 -2.857 19622
4614 1 10 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.318 -0.035 19622
4615 1 10 . 1 1 64 64 ASP C C 64 179.309 179.309 177.767 1.542 19622
4616 1 10 . 1 1 64 64 ASP CA C 64 57.917 57.917 57.238 0.679 19622
4617 1 10 . 1 1 64 64 ASP CB C 64 40.862 40.862 40.800 0.062 19622
4618 1 10 . 1 1 64 64 ASP H H 64 8.282 8.282 8.786 -0.504 19622
4619 1 10 . 1 1 65 65 ALA N N 65 125.398 125.398 122.099 3.299 19622
4620 1 10 . 1 1 65 65 ALA HA H 65 4.137 4.137 3.974 0.163 19622
4621 1 10 . 1 1 65 65 ALA C C 65 180.917 180.917 179.761 1.156 19622
4622 1 10 . 1 1 65 65 ALA CA C 65 54.858 54.858 55.421 -0.563 19622
4623 1 10 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.229 -0.480 19622
4624 1 10 . 1 1 65 65 ALA H H 65 8.215 8.215 7.988 0.227 19622
4625 1 10 . 1 1 66 66 GLN N N 66 119.386 119.386 117.124 2.262 19622
4626 1 10 . 1 1 66 66 GLN HA H 66 4.315 4.315 3.985 0.330 19622
4627 1 10 . 1 1 66 66 GLN C C 66 180.587 180.587 178.342 2.245 19622
4628 1 10 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.728 0.323 19622
4629 1 10 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.161 0.566 19622
4630 1 10 . 1 1 66 66 GLN H H 66 8.821 8.821 7.481 1.340 19622
4631 1 10 . 1 1 67 67 MET N N 67 118.975 118.975 120.477 -1.502 19622
4632 1 10 . 1 1 67 67 MET HA H 67 4.432 4.432 4.484 -0.052 19622
4633 1 10 . 1 1 67 67 MET C C 67 181.267 181.267 178.501 2.766 19622
4634 1 10 . 1 1 67 67 MET CA C 67 59.988 59.988 57.888 2.100 19622
4635 1 10 . 1 1 67 67 MET CB C 67 33.535 33.535 32.423 1.112 19622
4636 1 10 . 1 1 67 67 MET H H 67 8.504 8.504 7.764 0.740 19622
4637 1 10 . 1 1 68 68 GLY N N 68 110.904 110.904 105.985 4.919 19622
4638 1 10 . 1 1 68 68 GLY C C 68 174.778 174.778 175.790 -1.012 19622
4639 1 10 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.372 0.315 19622
4640 1 10 . 1 1 68 68 GLY H H 68 8.697 8.697 8.398 0.299 19622
4641 1 10 . 1 1 69 69 ASN N N 69 118.203 118.203 119.056 -0.853 19622
4642 1 10 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.604 0.288 19622
4643 1 10 . 1 1 69 69 ASN C C 69 174.610 174.610 174.835 -0.225 19622
4644 1 10 . 1 1 69 69 ASN CA C 69 53.121 53.121 52.761 0.360 19622
4645 1 10 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.428 0.967 19622
4646 1 10 . 1 1 69 69 ASN H H 69 7.536 7.536 7.974 -0.438 19622
4647 1 10 . 1 1 70 70 GLY N N 70 104.994 104.994 105.007 -0.013 19622
4648 1 10 . 1 1 70 70 GLY C C 70 174.423 174.423 173.816 0.607 19622
4649 1 10 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.759 0.419 19622
4650 1 10 . 1 1 70 70 GLY H H 70 7.725 7.725 6.973 0.752 19622
4651 1 10 . 1 1 71 71 PHE N N 71 117.987 117.987 118.342 -0.355 19622
4652 1 10 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.848 0.193 19622
4653 1 10 . 1 1 71 71 PHE C C 71 175.618 175.618 173.810 1.808 19622
4654 1 10 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.330 5.160 19622
4655 1 10 . 1 1 71 71 PHE CB C 71 39.860 39.860 41.627 -1.767 19622
4656 1 10 . 1 1 71 71 PHE H H 71 7.750 7.750 7.902 -0.152 19622
4657 1 10 . 1 1 72 72 VAL N N 72 117.069 117.069 119.163 -2.094 19622
4658 1 10 . 1 1 72 72 VAL HA H 72 5.073 5.073 4.787 0.286 19622
4659 1 10 . 1 1 72 72 VAL CA C 72 57.273 57.273 59.639 -2.366 19622
4660 1 10 . 1 1 72 72 VAL CB C 72 34.219 34.219 36.764 -2.545 19622
4661 1 10 . 1 1 72 72 VAL H H 72 8.578 8.578 8.647 -0.069 19622
4662 1 10 . 1 1 76 76 VAL HA H 76 2.939 2.939 4.262 -1.323 19622
4663 1 10 . 1 1 76 76 VAL C C 76 172.825 172.825 173.581 -0.756 19622
4664 1 10 . 1 1 76 76 VAL CA C 76 59.273 59.273 61.325 -2.052 19622
4665 1 10 . 1 1 76 76 VAL CB C 76 31.330 31.330 31.713 -0.383 19622
4666 1 10 . 1 1 77 77 ALA N N 77 120.939 120.939 121.746 -0.807 19622
4667 1 10 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.305 -0.164 19622
4668 1 10 . 1 1 77 77 ALA C C 77 175.744 175.744 175.116 0.628 19622
4669 1 10 . 1 1 77 77 ALA CA C 77 49.687 49.687 51.145 -1.458 19622
4670 1 10 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.356 -0.017 19622
4671 1 10 . 1 1 77 77 ALA H H 77 6.318 6.318 7.444 -1.126 19622
4672 1 10 . 1 1 78 78 TYR N N 78 122.466 122.466 118.259 4.207 19622
4673 1 10 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.077 0.303 19622
4674 1 10 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.264 0.132 19622
4675 1 10 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.789 -0.129 19622
4676 1 10 . 1 1 78 78 TYR H H 78 9.113 9.113 7.611 1.502 19622
4677 1 10 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.756 -0.012 19622
4678 1 10 . 1 1 79 79 PRO C C 79 176.434 176.434 177.073 -0.639 19622
4679 1 10 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.615 0.730 19622
4680 1 10 . 1 1 79 79 PRO CB C 79 31.141 31.141 32.208 -1.067 19622
4681 1 10 . 1 1 80 80 THR N N 80 110.712 110.712 113.928 -3.216 19622
4682 1 10 . 1 1 80 80 THR HA H 80 4.204 4.204 4.034 0.170 19622
4683 1 10 . 1 1 80 80 THR C C 80 171.733 171.733 173.905 -2.172 19622
4684 1 10 . 1 1 80 80 THR CA C 80 60.121 60.121 62.188 -2.067 19622
4685 1 10 . 1 1 80 80 THR CB C 80 68.267 68.267 69.035 -0.769 19622
4686 1 10 . 1 1 80 80 THR H H 80 8.470 8.470 8.044 0.426 19622
4687 1 10 . 1 1 81 81 SER N N 81 114.994 114.994 116.594 -1.600 19622
4688 1 10 . 1 1 81 81 SER HA H 81 3.869 3.869 4.358 -0.489 19622
4689 1 10 . 1 1 81 81 SER C C 81 172.754 172.754 171.908 0.846 19622
4690 1 10 . 1 1 81 81 SER CA C 81 57.892 57.892 57.031 0.861 19622
4691 1 10 . 1 1 81 81 SER CB C 81 66.405 66.405 65.884 0.521 19622
4692 1 10 . 1 1 81 81 SER H H 81 7.604 7.604 7.188 0.416 19622
4693 1 10 . 1 1 82 82 ASP N N 82 120.462 120.462 119.561 0.901 19622
4694 1 10 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.792 0.372 19622
4695 1 10 . 1 1 82 82 ASP C C 82 178.987 178.987 176.038 2.949 19622
4696 1 10 . 1 1 82 82 ASP CA C 82 56.313 56.313 54.143 2.170 19622
4697 1 10 . 1 1 82 82 ASP CB C 82 39.386 39.386 41.095 -1.709 19622
4698 1 10 . 1 1 82 82 ASP H H 82 8.690 8.690 8.589 0.101 19622
4699 1 10 . 1 1 83 83 CYS N N 83 120.974 120.974 120.236 0.738 19622
4700 1 10 . 1 1 83 83 CYS HA H 83 5.139 5.139 4.886 0.253 19622
4701 1 10 . 1 1 83 83 CYS C C 83 172.614 172.614 173.325 -0.711 19622
4702 1 10 . 1 1 83 83 CYS CA C 83 56.370 56.370 56.197 0.173 19622
4703 1 10 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.424 0.126 19622
4704 1 10 . 1 1 83 83 CYS H H 83 8.922 8.922 8.842 0.080 19622
4705 1 10 . 1 1 84 84 THR N N 84 116.819 116.819 116.605 0.214 19622
4706 1 10 . 1 1 84 84 THR HA H 84 5.464 5.464 4.942 0.522 19622
4707 1 10 . 1 1 84 84 THR C C 84 173.477 173.477 173.076 0.401 19622
4708 1 10 . 1 1 84 84 THR CA C 84 61.171 61.171 62.792 -1.621 19622
4709 1 10 . 1 1 84 84 THR CB C 84 70.791 70.791 70.474 0.317 19622
4710 1 10 . 1 1 84 84 THR H H 84 8.637 8.637 7.989 0.648 19622
4711 1 10 . 1 1 85 85 ILE N N 85 127.705 127.705 126.598 1.107 19622
4712 1 10 . 1 1 85 85 ILE HA H 85 4.831 4.831 4.810 0.021 19622
4713 1 10 . 1 1 85 85 ILE C C 85 174.828 174.828 175.511 -0.683 19622
4714 1 10 . 1 1 85 85 ILE CA C 85 57.901 57.901 58.288 -0.387 19622
4715 1 10 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.555 2.012 19622
4716 1 10 . 1 1 85 85 ILE H H 85 9.433 9.433 9.050 0.383 19622
4717 1 10 . 1 1 86 86 GLN N N 86 128.424 128.424 128.673 -0.249 19622
4718 1 10 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.505 0.576 19622
4719 1 10 . 1 1 86 86 GLN C C 86 176.145 176.145 177.188 -1.043 19622
4720 1 10 . 1 1 86 86 GLN CA C 86 54.821 54.821 57.375 -2.554 19622
4721 1 10 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.593 -0.905 19622
4722 1 10 . 1 1 86 86 GLN H H 86 9.533 9.533 9.143 0.390 19622
4723 1 10 . 1 1 87 87 THR N N 87 117.634 117.634 118.938 -1.304 19622
4724 1 10 . 1 1 87 87 THR HA H 87 4.600 4.600 4.497 0.103 19622
4725 1 10 . 1 1 87 87 THR C C 87 175.822 175.822 176.295 -0.473 19622
4726 1 10 . 1 1 87 87 THR CA C 87 62.643 62.643 64.212 -1.569 19622
4727 1 10 . 1 1 87 87 THR CB C 87 68.604 68.604 69.088 -0.485 19622
4728 1 10 . 1 1 87 87 THR H H 87 8.292 8.292 8.951 -0.659 19622
4729 1 10 . 1 1 88 88 HIS N N 88 117.083 117.083 120.249 -3.166 19622
4730 1 10 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.665 -0.085 19622
4731 1 10 . 1 1 88 88 HIS C C 88 177.884 177.884 175.238 2.646 19622
4732 1 10 . 1 1 88 88 HIS CA C 88 58.580 58.580 56.698 1.882 19622
4733 1 10 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.228 -1.888 19622
4734 1 10 . 1 1 88 88 HIS H H 88 9.658 9.658 8.839 0.819 19622
4735 1 10 . 1 1 89 89 GLN N N 89 112.869 112.869 118.371 -5.502 19622
4736 1 10 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.519 0.216 19622
4737 1 10 . 1 1 89 89 GLN C C 89 175.239 175.239 176.637 -1.398 19622
4738 1 10 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.525 -0.576 19622
4739 1 10 . 1 1 89 89 GLN CB C 89 29.312 29.312 26.646 2.666 19622
4740 1 10 . 1 1 89 89 GLN H H 89 7.591 7.591 7.787 -0.196 19622
4741 1 10 . 1 1 90 90 GLU N N 90 122.583 122.583 120.843 1.740 19622
4742 1 10 . 1 1 90 90 GLU HA H 90 3.588 3.588 3.950 -0.362 19622
4743 1 10 . 1 1 90 90 GLU C C 90 177.210 177.210 178.016 -0.806 19622
4744 1 10 . 1 1 90 90 GLU CA C 90 61.485 61.485 59.456 2.029 19622
4745 1 10 . 1 1 90 90 GLU CB C 90 29.147 29.147 28.461 0.686 19622
4746 1 10 . 1 1 90 90 GLU H H 90 8.327 8.327 7.657 0.670 19622
4747 1 10 . 1 1 91 91 GLU N N 91 115.209 115.209 120.760 -5.551 19622
4748 1 10 . 1 1 91 91 GLU HA H 91 4.041 4.041 4.064 -0.023 19622
4749 1 10 . 1 1 91 91 GLU C C 91 179.055 179.055 178.181 0.874 19622
4750 1 10 . 1 1 91 91 GLU CA C 91 59.647 59.647 58.541 1.106 19622
4751 1 10 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.363 -0.537 19622
4752 1 10 . 1 1 91 91 GLU H H 91 8.666 8.666 8.425 0.241 19622
4753 1 10 . 1 1 92 92 ALA N N 92 121.790 121.790 121.276 0.514 19622
4754 1 10 . 1 1 92 92 ALA HA H 92 4.212 4.212 3.849 0.363 19622
4755 1 10 . 1 1 92 92 ALA C C 92 179.762 179.762 179.323 0.439 19622
4756 1 10 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.552 -0.352 19622
4757 1 10 . 1 1 92 92 ALA CB C 92 16.917 16.917 17.680 -0.763 19622
4758 1 10 . 1 1 92 92 ALA H H 92 7.628 7.628 7.977 -0.349 19622
4759 1 10 . 1 1 93 93 LEU N N 93 119.699 119.699 116.488 3.211 19622
4760 1 10 . 1 1 93 93 LEU HA H 93 3.263 3.263 4.005 -0.742 19622
4761 1 10 . 1 1 93 93 LEU C C 93 177.803 177.803 178.354 -0.551 19622
4762 1 10 . 1 1 93 93 LEU CA C 93 57.031 57.031 57.246 -0.215 19622
4763 1 10 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.752 -0.442 19622
4764 1 10 . 1 1 93 93 LEU H H 93 7.694 7.694 7.219 0.475 19622
4765 1 10 . 1 1 94 94 TYR N N 94 116.307 116.307 117.998 -1.691 19622
4766 1 10 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.504 -0.130 19622
4767 1 10 . 1 1 94 94 TYR C C 94 176.548 176.548 176.179 0.369 19622
4768 1 10 . 1 1 94 94 TYR CA C 94 58.822 58.822 60.461 -1.639 19622
4769 1 10 . 1 1 94 94 TYR CB C 94 38.500 38.500 39.781 -1.281 19622
4770 1 10 . 1 1 94 94 TYR H H 94 7.343 7.343 7.739 -0.396 19622
4771 1 10 . 1 1 95 95 GLU N N 95 120.194 120.194 116.506 3.688 19622
4772 1 10 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.200 -0.039 19622
4773 1 10 . 1 1 95 95 GLU C C 95 176.704 176.704 175.832 0.872 19622
4774 1 10 . 1 1 95 95 GLU CA C 95 57.795 57.795 56.488 1.307 19622
4775 1 10 . 1 1 95 95 GLU CB C 95 30.121 30.121 31.278 -1.157 19622
4776 1 10 . 1 1 95 95 GLU H H 95 7.707 7.707 8.462 -0.755 19622
4777 1 10 . 1 1 96 96 ASN N N 96 118.074 118.074 113.713 4.361 19622
4778 1 10 . 1 1 96 96 ASN HA H 96 4.580 4.580 4.772 -0.192 19622
4779 1 10 . 1 1 96 96 ASN C C 96 176.061 176.061 174.586 1.475 19622
4780 1 10 . 1 1 96 96 ASN CA C 96 54.092 54.092 53.488 0.604 19622
4781 1 10 . 1 1 96 96 ASN CB C 96 38.864 38.864 40.144 -1.280 19622
4782 1 10 . 1 1 96 96 ASN H H 96 8.195 8.195 7.992 0.203 19622
4783 1 10 . 1 1 97 97 LEU N N 97 120.760 120.760 118.431 2.329 19622
4784 1 10 . 1 1 97 97 LEU HA H 97 4.142 4.142 3.735 0.407 19622
4785 1 10 . 1 1 97 97 LEU C C 97 177.094 177.094 174.911 2.183 19622
4786 1 10 . 1 1 97 97 LEU CA C 97 55.429 55.429 55.408 0.021 19622
4787 1 10 . 1 1 97 97 LEU CB C 97 42.562 42.562 40.483 2.079 19622
4788 1 10 . 1 1 97 97 LEU H H 97 7.912 7.912 8.109 -0.197 19622
4789 1 10 . 1 1 98 98 TYR N N 98 118.892 118.892 110.905 7.987 19622
4790 1 10 . 1 1 98 98 TYR HA H 98 4.520 4.520 4.200 0.320 19622
4791 1 10 . 1 1 98 98 TYR C C 98 175.296 175.296 175.140 0.156 19622
4792 1 10 . 1 1 98 98 TYR CA C 98 57.640 57.640 58.736 -1.097 19622
4793 1 10 . 1 1 98 98 TYR CB C 98 38.660 38.660 35.842 2.818 19622
4794 1 10 . 1 1 98 98 TYR H H 98 7.898 7.898 7.400 0.498 19622
4795 1 10 . 1 1 99 99 PHE N N 99 121.225 121.225 119.292 1.933 19622
4796 1 10 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.740 -0.262 19622
4797 1 10 . 1 1 99 99 PHE C C 99 174.558 174.558 175.316 -0.758 19622
4798 1 10 . 1 1 99 99 PHE CA C 99 58.151 58.151 56.813 1.338 19622
4799 1 10 . 1 1 99 99 PHE CB C 99 39.561 39.561 40.143 -0.582 19622
4800 1 10 . 1 1 99 99 PHE H H 99 7.931 7.931 7.879 0.052 19622
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 79 4.087 0.252 4.105 19622
2 1 1 "Average Difference" HA 91 0.329 -0.101 0.315 19622
3 1 1 "Average Difference" C 79 1.853 -0.041 1.864 19622
4 1 1 "Average Difference" CA 85 1.251 -0.004 1.258 19622
5 1 1 "Average Difference" CB 79 1.331 -0.053 1.338 19622
6 1 1 "Average Difference" HN 79 0.668 -0.230 0.631 19622
7 1 2 "Average Difference" N 79 4.061 0.351 4.072 19622
8 1 2 "Average Difference" HA 91 0.355 -0.059 0.352 19622
9 1 2 "Average Difference" C 79 1.732 -0.006 1.743 19622
10 1 2 "Average Difference" CA 85 1.231 -0.047 1.238 19622
11 1 2 "Average Difference" CB 79 1.283 -0.021 1.291 19622
12 1 2 "Average Difference" HN 79 0.653 -0.202 0.625 19622
13 1 3 "Average Difference" N 79 4.152 0.274 4.169 19622
14 1 3 "Average Difference" HA 91 0.326 -0.074 0.319 19622
15 1 3 "Average Difference" C 79 1.788 -0.004 1.800 19622
16 1 3 "Average Difference" CA 85 1.241 -0.087 1.245 19622
17 1 3 "Average Difference" CB 79 1.266 -0.052 1.273 19622
18 1 3 "Average Difference" HN 79 0.723 -0.245 0.684 19622
19 1 4 "Average Difference" N 79 4.157 0.242 4.176 19622
20 1 4 "Average Difference" HA 91 0.322 -0.081 0.313 19622
21 1 4 "Average Difference" C 79 1.809 0.015 1.821 19622
22 1 4 "Average Difference" CA 85 1.379 -0.054 1.386 19622
23 1 4 "Average Difference" CB 79 1.177 -0.072 1.182 19622
24 1 4 "Average Difference" HN 79 0.666 -0.254 0.619 19622
25 1 5 "Average Difference" N 79 4.128 0.092 4.153 19622
26 1 5 "Average Difference" HA 91 0.363 -0.082 0.356 19622
27 1 5 "Average Difference" C 79 1.805 -0.002 1.817 19622
28 1 5 "Average Difference" CA 85 1.278 0.010 1.286 19622
29 1 5 "Average Difference" CB 79 1.233 -0.014 1.241 19622
30 1 5 "Average Difference" HN 79 0.666 -0.202 0.639 19622
31 1 6 "Average Difference" N 79 4.062 0.285 4.078 19622
32 1 6 "Average Difference" HA 91 0.340 -0.096 0.328 19622
33 1 6 "Average Difference" C 79 1.757 -0.026 1.768 19622
34 1 6 "Average Difference" CA 85 1.225 -0.039 1.232 19622
35 1 6 "Average Difference" CB 79 1.256 -0.097 1.261 19622
36 1 6 "Average Difference" HN 79 0.666 -0.244 0.624 19622
37 1 7 "Average Difference" N 79 4.181 0.020 4.207 19622
38 1 7 "Average Difference" HA 91 0.338 -0.094 0.326 19622
39 1 7 "Average Difference" C 79 1.869 0.045 1.880 19622
40 1 7 "Average Difference" CA 85 1.335 0.001 1.343 19622
41 1 7 "Average Difference" CB 79 1.281 -0.105 1.285 19622
42 1 7 "Average Difference" HN 79 0.692 -0.207 0.664 19622
43 1 8 "Average Difference" N 79 4.160 0.195 4.182 19622
44 1 8 "Average Difference" HA 91 0.332 -0.089 0.322 19622
45 1 8 "Average Difference" C 79 1.754 -0.035 1.764 19622
46 1 8 "Average Difference" CA 85 1.242 0.009 1.249 19622
47 1 8 "Average Difference" CB 79 1.313 -0.067 1.320 19622
48 1 8 "Average Difference" HN 79 0.716 -0.217 0.686 19622
49 1 9 "Average Difference" N 79 4.042 0.326 4.055 19622
50 1 9 "Average Difference" HA 91 0.327 -0.077 0.320 19622
51 1 9 "Average Difference" C 79 1.821 -0.006 1.833 19622
52 1 9 "Average Difference" CA 85 1.210 -0.012 1.217 19622
53 1 9 "Average Difference" CB 79 1.144 -0.107 1.146 19622
54 1 9 "Average Difference" HN 79 0.679 -0.240 0.639 19622
55 1 10 "Average Difference" N 79 4.056 0.176 4.078 19622
56 1 10 "Average Difference" HA 91 0.331 -0.082 0.323 19622
57 1 10 "Average Difference" C 79 1.781 -0.051 1.792 19622
58 1 10 "Average Difference" CA 85 1.309 -0.038 1.317 19622
59 1 10 "Average Difference" CB 79 1.227 -0.033 1.235 19622
60 1 10 "Average Difference" HN 79 0.664 -0.235 0.625 19622
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 19622
_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 1 1 TYR N N 1 121.776 121.776 118.677 3.099 19622
2 1 . 1 1 1 1 TYR HA H 1 4.900 4.900 4.725 0.175 19622
3 1 . 1 1 1 1 TYR C C 1 174.477 174.477 175.393 -0.916 19622
4 1 . 1 1 1 1 TYR CA C 1 57.340 57.340 57.178 0.162 19622
5 1 . 1 1 1 1 TYR CB C 1 40.147 40.147 40.913 -0.766 19622
6 1 . 1 1 1 1 TYR H H 1 8.204 8.204 8.648 -0.444 19622
7 1 . 1 1 2 2 LYS N N 2 122.911 122.911 124.111 -1.200 19622
8 1 . 1 1 2 2 LYS HA H 2 4.719 4.719 5.054 -0.335 19622
9 1 . 1 1 2 2 LYS C C 2 176.369 176.369 175.693 0.676 19622
10 1 . 1 1 2 2 LYS CA C 2 55.408 55.408 55.912 -0.504 19622
11 1 . 1 1 2 2 LYS CB C 2 32.636 32.636 33.042 -0.406 19622
12 1 . 1 1 2 2 LYS H H 2 9.291 9.291 9.076 0.215 19622
13 1 . 1 1 3 3 VAL N N 3 128.453 128.453 126.596 1.857 19622
14 1 . 1 1 3 3 VAL HA H 3 4.974 4.974 5.108 -0.134 19622
15 1 . 1 1 3 3 VAL C C 3 175.283 175.283 174.638 0.645 19622
16 1 . 1 1 3 3 VAL CA C 3 60.401 60.401 59.409 0.992 19622
17 1 . 1 1 3 3 VAL CB C 3 33.332 33.332 34.645 -1.313 19622
18 1 . 1 1 3 3 VAL H H 3 9.268 9.268 8.597 0.671 19622
19 1 . 1 1 4 4 THR N N 4 126.298 126.298 126.111 0.187 19622
20 1 . 1 1 4 4 THR HA H 4 4.316 4.316 4.666 -0.350 19622
21 1 . 1 1 4 4 THR C C 4 172.907 172.907 174.181 -1.274 19622
22 1 . 1 1 4 4 THR CA C 4 63.342 63.342 62.700 0.642 19622
23 1 . 1 1 4 4 THR CB C 4 69.170 69.170 68.656 0.514 19622
24 1 . 1 1 4 4 THR H H 4 9.623 9.623 9.114 0.509 19622
25 1 . 1 1 5 5 LEU N N 5 130.058 130.058 130.675 -0.617 19622
26 1 . 1 1 5 5 LEU HA H 5 5.173 5.173 4.818 0.355 19622
27 1 . 1 1 5 5 LEU C C 5 174.969 174.969 176.124 -1.155 19622
28 1 . 1 1 5 5 LEU CA C 5 52.721 52.721 54.648 -1.927 19622
29 1 . 1 1 5 5 LEU CB C 5 41.530 41.530 43.060 -1.530 19622
30 1 . 1 1 5 5 LEU H H 5 9.554 9.554 9.324 0.230 19622
31 1 . 1 1 6 6 LYS N N 6 124.882 124.882 125.984 -1.102 19622
32 1 . 1 1 6 6 LYS HA H 6 4.884 4.884 4.668 0.216 19622
33 1 . 1 1 6 6 LYS C C 6 175.730 175.730 175.780 -0.050 19622
34 1 . 1 1 6 6 LYS CA C 6 55.335 55.335 54.918 0.417 19622
35 1 . 1 1 6 6 LYS CB C 6 31.006 31.006 32.287 -1.281 19622
36 1 . 1 1 6 6 LYS H H 6 9.072 9.072 8.888 0.184 19622
37 1 . 1 1 7 7 THR N N 7 117.987 117.987 117.322 0.665 19622
38 1 . 1 1 7 7 THR HA H 7 5.708 5.708 5.278 0.430 19622
39 1 . 1 1 7 7 THR CA C 7 59.875 59.875 58.443 1.432 19622
40 1 . 1 1 7 7 THR CB C 7 69.582 69.582 69.962 -0.380 19622
41 1 . 1 1 7 7 THR H H 7 7.750 7.750 8.342 -0.592 19622
42 1 . 1 1 8 8 PRO HA H 8 4.334 4.334 4.337 -0.003 19622
43 1 . 1 1 8 8 PRO C C 8 177.136 177.136 176.759 0.377 19622
44 1 . 1 1 8 8 PRO CA C 8 64.777 64.777 64.591 0.187 19622
45 1 . 1 1 8 8 PRO CB C 8 31.734 31.734 31.600 0.134 19622
46 1 . 1 1 9 9 SER N N 9 109.200 109.200 111.602 -2.402 19622
47 1 . 1 1 9 9 SER HA H 9 4.629 4.629 4.495 0.134 19622
48 1 . 1 1 9 9 SER C C 9 173.571 173.571 174.701 -1.131 19622
49 1 . 1 1 9 9 SER CA C 9 57.371 57.371 58.658 -1.287 19622
50 1 . 1 1 9 9 SER CB C 9 63.513 63.513 64.682 -1.169 19622
51 1 . 1 1 9 9 SER H H 9 7.739 7.739 7.951 -0.212 19622
52 1 . 1 1 10 10 GLY N N 10 110.027 110.027 109.491 0.536 19622
53 1 . 1 1 10 10 GLY C C 10 174.096 174.096 171.652 2.444 19622
54 1 . 1 1 10 10 GLY CA C 10 43.987 43.987 44.845 -0.858 19622
55 1 . 1 1 10 10 GLY H H 10 7.526 7.526 7.700 -0.174 19622
56 1 . 1 1 11 11 ASP N N 11 123.154 123.154 119.147 4.007 19622
57 1 . 1 1 11 11 ASP HA H 11 5.670 5.670 5.561 0.110 19622
58 1 . 1 1 11 11 ASP C C 11 176.750 176.750 175.576 1.173 19622
59 1 . 1 1 11 11 ASP CA C 11 53.710 53.710 53.114 0.596 19622
60 1 . 1 1 11 11 ASP CB C 11 41.085 41.085 42.877 -1.792 19622
61 1 . 1 1 11 11 ASP H H 11 8.808 8.808 8.332 0.475 19622
62 1 . 1 1 12 12 LYS N N 12 123.685 123.685 122.662 1.023 19622
63 1 . 1 1 12 12 LYS HA H 12 4.678 4.678 4.657 0.021 19622
64 1 . 1 1 12 12 LYS C C 12 174.777 174.777 174.923 -0.146 19622
65 1 . 1 1 12 12 LYS CA C 12 55.024 55.024 55.121 -0.097 19622
66 1 . 1 1 12 12 LYS CB C 12 36.206 36.206 36.296 -0.090 19622
67 1 . 1 1 12 12 LYS H H 12 9.108 9.108 8.791 0.317 19622
68 1 . 1 1 13 13 THR N N 13 122.136 122.136 122.386 -0.250 19622
69 1 . 1 1 13 13 THR HA H 13 5.314 5.314 4.947 0.367 19622
70 1 . 1 1 13 13 THR C C 13 174.082 174.082 174.727 -0.645 19622
71 1 . 1 1 13 13 THR CA C 13 62.397 62.397 62.807 -0.410 19622
72 1 . 1 1 13 13 THR CB C 13 69.809 69.809 68.918 0.891 19622
73 1 . 1 1 13 13 THR H H 13 8.935 8.935 8.423 0.512 19622
74 1 . 1 1 14 14 ILE N N 14 122.466 122.466 121.431 1.035 19622
75 1 . 1 1 14 14 ILE HA H 14 4.828 4.828 4.684 0.144 19622
76 1 . 1 1 14 14 ILE C C 14 174.083 174.083 174.116 -0.033 19622
77 1 . 1 1 14 14 ILE CA C 14 58.456 58.456 58.697 -0.241 19622
78 1 . 1 1 14 14 ILE CB C 14 41.510 41.510 41.507 0.003 19622
79 1 . 1 1 14 14 ILE H H 14 9.113 9.113 8.886 0.227 19622
80 1 . 1 1 15 15 GLU N N 15 121.208 121.208 121.658 -0.450 19622
81 1 . 1 1 15 15 GLU HA H 15 4.928 4.928 4.999 -0.071 19622
82 1 . 1 1 15 15 GLU C C 15 175.553 175.553 175.411 0.142 19622
83 1 . 1 1 15 15 GLU CA C 15 55.179 55.179 55.311 -0.132 19622
84 1 . 1 1 15 15 GLU CB C 15 31.093 31.093 30.256 0.837 19622
85 1 . 1 1 15 15 GLU H H 15 8.510 8.510 8.499 0.011 19622
86 1 . 1 1 16 16 CYS N N 16 125.232 125.232 124.454 0.778 19622
87 1 . 1 1 16 16 CYS HA H 16 5.086 5.086 4.921 0.165 19622
88 1 . 1 1 16 16 CYS CA C 16 55.661 55.661 55.352 0.309 19622
89 1 . 1 1 16 16 CYS CB C 16 31.298 31.298 29.336 1.962 19622
90 1 . 1 1 16 16 CYS H H 16 9.306 9.306 8.770 0.536 19622
91 1 . 1 1 17 17 PRO HA H 17 4.535 4.535 4.318 0.217 19622
92 1 . 1 1 17 17 PRO C C 17 175.733 175.733 176.538 -0.805 19622
93 1 . 1 1 17 17 PRO CA C 17 62.890 62.890 63.357 -0.467 19622
94 1 . 1 1 17 17 PRO CB C 17 33.142 33.142 32.261 0.880 19622
95 1 . 1 1 18 18 ALA N N 18 120.277 120.277 121.172 -0.895 19622
96 1 . 1 1 18 18 ALA HA H 18 4.252 4.252 4.222 0.030 19622
97 1 . 1 1 18 18 ALA C C 18 177.177 177.177 176.677 0.500 19622
98 1 . 1 1 18 18 ALA CA C 18 53.953 53.953 53.359 0.594 19622
99 1 . 1 1 18 18 ALA CB C 18 19.449 19.449 18.761 0.687 19622
100 1 . 1 1 18 18 ALA H H 18 8.622 8.622 8.467 0.155 19622
101 1 . 1 1 19 19 ASP N N 19 112.081 112.081 110.753 1.328 19622
102 1 . 1 1 19 19 ASP HA H 19 4.123 4.123 4.166 -0.043 19622
103 1 . 1 1 19 19 ASP C C 19 175.263 175.263 175.221 0.042 19622
104 1 . 1 1 19 19 ASP CA C 19 52.705 52.705 53.149 -0.444 19622
105 1 . 1 1 19 19 ASP CB C 19 39.747 39.747 41.972 -2.225 19622
106 1 . 1 1 19 19 ASP H H 19 7.950 7.950 7.685 0.265 19622
107 1 . 1 1 20 20 THR N N 20 117.760 117.760 117.845 -0.085 19622
108 1 . 1 1 20 20 THR HA H 20 4.555 4.555 4.357 0.198 19622
109 1 . 1 1 20 20 THR C C 20 171.521 171.521 173.343 -1.821 19622
110 1 . 1 1 20 20 THR CA C 20 61.849 61.849 61.386 0.463 19622
111 1 . 1 1 20 20 THR CB C 20 72.498 72.498 70.740 1.758 19622
112 1 . 1 1 20 20 THR H H 20 7.550 7.550 7.017 0.533 19622
113 1 . 1 1 21 21 TYR N N 21 124.181 124.181 124.097 0.084 19622
114 1 . 1 1 21 21 TYR HA H 21 4.690 4.690 4.776 -0.086 19622
115 1 . 1 1 21 21 TYR C C 21 171.626 171.626 176.896 -5.270 19622
116 1 . 1 1 21 21 TYR CA C 21 55.120 55.120 57.469 -2.349 19622
117 1 . 1 1 21 21 TYR CB C 21 38.570 38.570 37.888 0.682 19622
118 1 . 1 1 21 21 TYR H H 21 8.594 8.594 8.228 0.366 19622
119 1 . 1 1 22 22 ILE N N 22 120.076 120.076 123.555 -3.479 19622
120 1 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.733 -0.018 19622
121 1 . 1 1 22 22 ILE C C 22 177.421 177.421 178.194 -0.773 19622
122 1 . 1 1 22 22 ILE CA C 22 65.441 65.441 65.654 -0.213 19622
123 1 . 1 1 22 22 ILE CB C 22 38.297 38.297 37.905 0.392 19622
124 1 . 1 1 22 22 ILE H H 22 9.140 9.140 9.033 0.107 19622
125 1 . 1 1 23 23 LEU N N 23 115.378 115.378 117.456 -2.078 19622
126 1 . 1 1 23 23 LEU HA H 23 3.869 3.869 3.926 -0.057 19622
127 1 . 1 1 23 23 LEU C C 23 176.741 176.741 178.417 -1.676 19622
128 1 . 1 1 23 23 LEU CA C 23 57.892 57.892 57.983 -0.091 19622
129 1 . 1 1 23 23 LEU CB C 23 42.629 42.629 40.444 2.185 19622
130 1 . 1 1 23 23 LEU H H 23 7.382 7.382 7.702 -0.320 19622
131 1 . 1 1 24 24 ASP N N 24 116.687 116.687 120.151 -3.464 19622
132 1 . 1 1 24 24 ASP HA H 24 4.314 4.314 4.282 0.032 19622
133 1 . 1 1 24 24 ASP C C 24 178.902 178.902 177.953 0.949 19622
134 1 . 1 1 24 24 ASP CA C 24 57.792 57.792 57.879 -0.087 19622
135 1 . 1 1 24 24 ASP CB C 24 39.971 39.971 40.861 -0.891 19622
136 1 . 1 1 24 24 ASP H H 24 6.747 6.747 8.272 -1.525 19622
137 1 . 1 1 25 25 ALA N N 25 122.742 122.742 122.092 0.650 19622
138 1 . 1 1 25 25 ALA HA H 25 4.231 4.231 4.063 0.168 19622
139 1 . 1 1 25 25 ALA C C 25 180.559 180.559 179.367 1.192 19622
140 1 . 1 1 25 25 ALA CA C 25 54.890 54.890 54.547 0.343 19622
141 1 . 1 1 25 25 ALA CB C 25 19.192 19.192 18.378 0.815 19622
142 1 . 1 1 25 25 ALA H H 25 8.045 8.045 7.574 0.471 19622
143 1 . 1 1 26 26 ALA N N 26 122.264 122.264 122.749 -0.485 19622
144 1 . 1 1 26 26 ALA HA H 26 3.944 3.944 3.947 -0.003 19622
145 1 . 1 1 26 26 ALA C C 26 179.219 179.219 179.377 -0.158 19622
146 1 . 1 1 26 26 ALA CA C 26 55.425 55.425 55.414 0.011 19622
147 1 . 1 1 26 26 ALA CB C 26 18.695 18.695 18.602 0.093 19622
148 1 . 1 1 26 26 ALA H H 26 8.701 8.701 8.483 0.218 19622
149 1 . 1 1 27 27 GLU N N 27 119.508 119.508 117.416 2.092 19622
150 1 . 1 1 27 27 GLU HA H 27 4.303 4.303 4.139 0.164 19622
151 1 . 1 1 27 27 GLU C C 27 169.931 169.931 178.739 -8.808 19622
152 1 . 1 1 27 27 GLU CA C 27 59.543 59.543 58.339 1.204 19622
153 1 . 1 1 27 27 GLU CB C 27 29.458 29.458 29.259 0.199 19622
154 1 . 1 1 27 27 GLU H H 27 8.567 8.567 8.302 0.265 19622
155 1 . 1 1 28 28 GLU N N 28 122.658 122.658 120.412 2.246 19622
156 1 . 1 1 28 28 GLU HA H 28 4.105 4.105 4.073 0.032 19622
157 1 . 1 1 28 28 GLU C C 28 177.634 177.634 178.051 -0.417 19622
158 1 . 1 1 28 28 GLU CA C 28 59.264 59.264 58.592 0.672 19622
159 1 . 1 1 28 28 GLU CB C 28 29.055 29.055 29.345 -0.290 19622
160 1 . 1 1 28 28 GLU H H 28 8.164 8.164 7.661 0.503 19622
161 1 . 1 1 29 29 ALA N N 29 119.216 119.216 118.710 0.506 19622
162 1 . 1 1 29 29 ALA HA H 29 4.476 4.476 4.152 0.324 19622
163 1 . 1 1 29 29 ALA C C 29 177.282 177.282 177.424 -0.142 19622
164 1 . 1 1 29 29 ALA CA C 29 52.052 52.052 53.152 -1.100 19622
165 1 . 1 1 29 29 ALA CB C 29 19.115 19.115 19.635 -0.520 19622
166 1 . 1 1 29 29 ALA H H 29 7.433 7.433 7.977 -0.544 19622
167 1 . 1 1 30 30 GLY N N 30 106.654 106.654 104.279 2.375 19622
168 1 . 1 1 30 30 GLY C C 30 174.629 174.629 174.609 0.020 19622
169 1 . 1 1 30 30 GLY CA C 30 45.391 45.391 44.520 0.871 19622
170 1 . 1 1 30 30 GLY H H 30 7.932 7.932 7.487 0.445 19622
171 1 . 1 1 31 31 LEU N N 31 121.203 121.203 120.325 0.878 19622
172 1 . 1 1 31 31 LEU HA H 31 4.456 4.456 4.495 -0.039 19622
173 1 . 1 1 31 31 LEU C C 31 175.406 175.406 177.282 -1.876 19622
174 1 . 1 1 31 31 LEU CA C 31 54.656 54.656 54.163 0.492 19622
175 1 . 1 1 31 31 LEU CB C 31 42.629 42.629 42.266 0.363 19622
176 1 . 1 1 31 31 LEU H H 31 8.078 8.078 7.500 0.578 19622
177 1 . 1 1 32 32 ASP N N 32 121.884 121.884 122.603 -0.719 19622
178 1 . 1 1 32 32 ASP HA H 32 4.909 4.909 4.655 0.254 19622
179 1 . 1 1 32 32 ASP C C 32 174.882 174.882 175.043 -0.161 19622
180 1 . 1 1 32 32 ASP CA C 32 53.119 53.119 53.430 -0.311 19622
181 1 . 1 1 32 32 ASP CB C 32 41.068 41.068 39.914 1.154 19622
182 1 . 1 1 32 32 ASP H H 32 8.418 8.418 8.690 -0.272 19622
183 1 . 1 1 33 33 LEU N N 33 124.734 124.734 121.643 3.091 19622
184 1 . 1 1 33 33 LEU HA H 33 4.665 4.665 4.589 0.076 19622
185 1 . 1 1 33 33 LEU CA C 33 51.940 51.940 52.583 -0.643 19622
186 1 . 1 1 33 33 LEU CB C 33 42.403 42.403 43.519 -1.116 19622
187 1 . 1 1 33 33 LEU H H 33 8.088 8.088 7.594 0.494 19622
188 1 . 1 1 34 34 PRO HA H 34 4.372 4.372 4.382 -0.010 19622
189 1 . 1 1 34 34 PRO CA C 34 62.760 62.760 62.904 -0.144 19622
190 1 . 1 1 34 34 PRO CB C 34 32.298 32.298 31.946 0.352 19622
191 1 . 1 1 46 46 ALA HA H 46 4.729 4.729 4.414 0.315 19622
192 1 . 1 1 46 46 ALA C C 46 178.058 178.058 177.399 0.659 19622
193 1 . 1 1 46 46 ALA CA C 46 53.204 53.204 51.432 1.772 19622
194 1 . 1 1 46 46 ALA CB C 46 18.088 18.088 19.190 -1.102 19622
195 1 . 1 1 47 47 GLY N N 47 112.650 112.650 111.745 0.905 19622
196 1 . 1 1 47 47 GLY C C 47 178.913 178.913 172.749 6.164 19622
197 1 . 1 1 47 47 GLY CA C 47 44.047 44.047 44.679 -0.632 19622
198 1 . 1 1 47 47 GLY H H 47 9.815 9.815 8.350 1.465 19622
199 1 . 1 1 48 48 LYS N N 48 120.076 120.076 119.559 0.517 19622
200 1 . 1 1 48 48 LYS HA H 48 4.936 4.936 4.975 -0.039 19622
201 1 . 1 1 48 48 LYS C C 48 175.432 175.432 175.630 -0.198 19622
202 1 . 1 1 48 48 LYS CA C 48 54.866 54.866 53.830 1.036 19622
203 1 . 1 1 48 48 LYS CB C 48 36.588 36.588 35.226 1.362 19622
204 1 . 1 1 48 48 LYS H H 48 9.129 9.129 8.927 0.202 19622
205 1 . 1 1 49 49 VAL N N 49 127.642 127.642 126.445 1.197 19622
206 1 . 1 1 49 49 VAL HA H 49 3.940 3.940 3.890 0.050 19622
207 1 . 1 1 49 49 VAL C C 49 175.133 175.133 175.502 -0.369 19622
208 1 . 1 1 49 49 VAL CA C 49 63.365 63.365 63.631 -0.266 19622
209 1 . 1 1 49 49 VAL CB C 49 31.981 31.981 31.604 0.377 19622
210 1 . 1 1 49 49 VAL H H 49 9.523 9.523 8.305 1.218 19622
211 1 . 1 1 50 50 ALA N N 50 102.132 102.132 131.184 -29.052 19622
212 1 . 1 1 50 50 ALA HA H 50 4.433 4.433 4.342 0.091 19622
213 1 . 1 1 50 50 ALA C C 50 177.108 177.108 176.919 0.189 19622
214 1 . 1 1 50 50 ALA CA C 50 52.234 52.234 53.151 -0.917 19622
215 1 . 1 1 50 50 ALA CB C 50 19.925 19.925 19.793 0.132 19622
216 1 . 1 1 50 50 ALA H H 50 8.792 8.792 8.672 0.120 19622
217 1 . 1 1 51 51 ALA N N 51 119.480 119.480 118.688 0.792 19622
218 1 . 1 1 51 51 ALA HA H 51 4.500 4.500 4.632 -0.132 19622
219 1 . 1 1 51 51 ALA C C 51 176.563 176.563 176.757 -0.194 19622
220 1 . 1 1 51 51 ALA CA C 51 52.396 52.396 50.844 1.552 19622
221 1 . 1 1 51 51 ALA CB C 51 21.708 21.708 20.537 1.171 19622
222 1 . 1 1 51 51 ALA H H 51 7.745 7.745 7.985 -0.240 19622
223 1 . 1 1 52 52 GLY N N 52 108.710 108.710 107.730 0.980 19622
224 1 . 1 1 52 52 GLY C C 52 172.018 172.018 173.729 -1.711 19622
225 1 . 1 1 52 52 GLY CA C 52 44.029 44.029 45.408 -1.379 19622
226 1 . 1 1 52 52 GLY H H 52 8.516 8.516 8.534 -0.018 19622
227 1 . 1 1 53 53 THR N N 53 106.654 106.654 111.448 -4.794 19622
228 1 . 1 1 53 53 THR HA H 53 4.707 4.707 4.556 0.150 19622
229 1 . 1 1 53 53 THR C C 53 173.198 173.198 172.724 0.474 19622
230 1 . 1 1 53 53 THR CA C 53 59.740 59.740 60.135 -0.394 19622
231 1 . 1 1 53 53 THR CB C 53 72.296 72.296 72.017 0.279 19622
232 1 . 1 1 53 53 THR H H 53 7.932 7.932 7.953 -0.021 19622
233 1 . 1 1 54 54 VAL N N 54 110.217 110.217 114.409 -4.192 19622
234 1 . 1 1 54 54 VAL HA H 54 5.030 5.030 4.703 0.327 19622
235 1 . 1 1 54 54 VAL C C 54 174.681 174.681 174.020 0.661 19622
236 1 . 1 1 54 54 VAL CA C 54 58.343 58.343 59.355 -1.012 19622
237 1 . 1 1 54 54 VAL CB C 54 36.031 36.031 35.374 0.657 19622
238 1 . 1 1 54 54 VAL H H 54 8.211 8.211 8.209 0.002 19622
239 1 . 1 1 55 55 ASP N N 55 121.085 121.085 121.008 0.077 19622
240 1 . 1 1 55 55 ASP HA H 55 5.019 5.019 4.776 0.243 19622
241 1 . 1 1 55 55 ASP C C 55 175.900 175.900 175.007 0.893 19622
242 1 . 1 1 55 55 ASP CA C 55 53.179 53.179 53.455 -0.275 19622
243 1 . 1 1 55 55 ASP CB C 55 43.430 43.430 41.075 2.355 19622
244 1 . 1 1 55 55 ASP H H 55 9.535 9.535 8.774 0.761 19622
245 1 . 1 1 56 56 GLN N N 56 124.248 124.248 124.724 -0.476 19622
246 1 . 1 1 56 56 GLN HA H 56 5.532 5.532 4.793 0.739 19622
247 1 . 1 1 56 56 GLN C C 56 176.233 176.233 175.773 0.460 19622
248 1 . 1 1 56 56 GLN CA C 56 53.067 53.067 54.298 -1.231 19622
249 1 . 1 1 56 56 GLN CB C 56 28.423 28.423 28.229 0.195 19622
250 1 . 1 1 56 56 GLN H H 56 9.270 9.270 8.136 1.134 19622
251 1 . 1 1 57 57 SER N N 57 118.299 118.299 117.345 0.954 19622
252 1 . 1 1 57 57 SER HA H 57 4.234 4.234 4.195 0.039 19622
253 1 . 1 1 57 57 SER C C 57 175.154 175.154 174.797 0.357 19622
254 1 . 1 1 57 57 SER CA C 57 62.676 62.676 60.909 1.767 19622
255 1 . 1 1 57 57 SER CB C 57 63.213 63.213 63.226 -0.013 19622
256 1 . 1 1 57 57 SER H H 57 8.491 8.491 8.156 0.335 19622
257 1 . 1 1 58 58 ASP N N 58 119.055 119.055 119.690 -0.635 19622
258 1 . 1 1 58 58 ASP HA H 58 4.719 4.719 4.758 -0.039 19622
259 1 . 1 1 58 58 ASP C C 58 176.196 176.196 174.813 1.383 19622
260 1 . 1 1 58 58 ASP CA C 58 55.408 55.408 53.652 1.756 19622
261 1 . 1 1 58 58 ASP CB C 58 40.293 40.293 40.681 -0.388 19622
262 1 . 1 1 58 58 ASP H H 58 8.885 8.885 8.301 0.584 19622
263 1 . 1 1 59 59 GLN N N 59 122.287 122.287 120.711 1.576 19622
264 1 . 1 1 59 59 GLN HA H 59 4.215 4.215 4.371 -0.156 19622
265 1 . 1 1 59 59 GLN C C 59 174.169 174.169 175.845 -1.676 19622
266 1 . 1 1 59 59 GLN CA C 59 55.943 55.943 55.761 0.182 19622
267 1 . 1 1 59 59 GLN CB C 59 29.290 29.290 30.226 -0.936 19622
268 1 . 1 1 59 59 GLN H H 59 8.394 8.394 7.992 0.402 19622
269 1 . 1 1 60 60 SER N N 60 113.844 113.844 117.211 -3.367 19622
270 1 . 1 1 60 60 SER HA H 60 4.729 4.729 4.458 0.271 19622
271 1 . 1 1 60 60 SER C C 60 173.467 173.467 174.868 -1.401 19622
272 1 . 1 1 60 60 SER CA C 60 58.201 58.201 59.152 -0.952 19622
273 1 . 1 1 60 60 SER CB C 60 65.221 65.221 63.833 1.388 19622
274 1 . 1 1 60 60 SER H H 60 8.871 8.871 8.456 0.415 19622
275 1 . 1 1 61 61 PHE N N 61 123.610 123.610 118.603 5.007 19622
276 1 . 1 1 61 61 PHE HA H 61 4.397 4.397 4.575 -0.178 19622
277 1 . 1 1 61 61 PHE C C 61 176.268 176.268 174.666 1.602 19622
278 1 . 1 1 61 61 PHE CA C 61 60.986 60.986 57.446 3.540 19622
279 1 . 1 1 61 61 PHE CB C 61 43.362 43.362 38.996 4.366 19622
280 1 . 1 1 61 61 PHE H H 61 7.691 7.691 8.138 -0.447 19622
281 1 . 1 1 62 62 LEU N N 62 121.203 121.203 121.908 -0.705 19622
282 1 . 1 1 62 62 LEU HA H 62 4.346 4.346 4.317 0.029 19622
283 1 . 1 1 62 62 LEU C C 62 177.920 177.920 175.392 2.528 19622
284 1 . 1 1 62 62 LEU CA C 62 54.152 54.152 54.476 -0.324 19622
285 1 . 1 1 62 62 LEU CB C 62 42.638 42.638 43.031 -0.393 19622
286 1 . 1 1 62 62 LEU H H 62 10.705 10.705 7.498 3.207 19622
287 1 . 1 1 63 63 ASP N N 63 121.418 121.418 124.073 -2.655 19622
288 1 . 1 1 63 63 ASP HA H 63 4.680 4.680 4.789 -0.109 19622
289 1 . 1 1 63 63 ASP C C 63 176.479 176.479 176.412 0.067 19622
290 1 . 1 1 63 63 ASP CA C 63 51.738 51.738 53.303 -1.565 19622
291 1 . 1 1 63 63 ASP CB C 63 41.706 41.706 43.842 -2.136 19622
292 1 . 1 1 63 63 ASP H H 63 8.672 8.672 8.273 0.399 19622
293 1 . 1 1 64 64 ASP N N 64 117.220 117.220 120.196 -2.976 19622
294 1 . 1 1 64 64 ASP HA H 64 4.283 4.283 4.295 -0.012 19622
295 1 . 1 1 64 64 ASP C C 64 179.309 179.309 178.015 1.294 19622
296 1 . 1 1 64 64 ASP CA C 64 57.917 57.917 57.910 0.007 19622
297 1 . 1 1 64 64 ASP CB C 64 40.862 40.862 40.922 -0.060 19622
298 1 . 1 1 64 64 ASP H H 64 8.282 8.282 8.721 -0.439 19622
299 1 . 1 1 65 65 ALA N N 65 125.398 125.398 121.472 3.926 19622
300 1 . 1 1 65 65 ALA HA H 65 4.137 4.137 4.068 0.069 19622
301 1 . 1 1 65 65 ALA C C 65 180.917 180.917 179.853 1.064 19622
302 1 . 1 1 65 65 ALA CA C 65 54.858 54.858 54.952 -0.093 19622
303 1 . 1 1 65 65 ALA CB C 65 17.749 17.749 18.121 -0.372 19622
304 1 . 1 1 65 65 ALA H H 65 8.215 8.215 8.303 -0.088 19622
305 1 . 1 1 66 66 GLN N N 66 119.386 119.386 117.103 2.283 19622
306 1 . 1 1 66 66 GLN HA H 66 4.315 4.315 4.092 0.223 19622
307 1 . 1 1 66 66 GLN C C 66 180.587 180.587 178.333 2.254 19622
308 1 . 1 1 66 66 GLN CA C 66 59.051 59.051 58.523 0.528 19622
309 1 . 1 1 66 66 GLN CB C 66 28.727 28.727 28.368 0.359 19622
310 1 . 1 1 66 66 GLN H H 66 8.821 8.821 7.688 1.133 19622
311 1 . 1 1 67 67 MET N N 67 118.975 118.975 120.515 -1.540 19622
312 1 . 1 1 67 67 MET HA H 67 4.432 4.432 4.478 -0.046 19622
313 1 . 1 1 67 67 MET C C 67 181.267 181.267 178.298 2.969 19622
314 1 . 1 1 67 67 MET CA C 67 59.988 59.988 58.319 1.669 19622
315 1 . 1 1 67 67 MET CB C 67 33.535 33.535 32.639 0.896 19622
316 1 . 1 1 67 67 MET H H 67 8.504 8.504 7.813 0.691 19622
317 1 . 1 1 68 68 GLY N N 68 110.904 110.904 106.143 4.761 19622
318 1 . 1 1 68 68 GLY C C 68 174.778 174.778 175.662 -0.884 19622
319 1 . 1 1 68 68 GLY CA C 68 46.687 46.687 46.478 0.208 19622
320 1 . 1 1 68 68 GLY H H 68 8.697 8.697 8.205 0.492 19622
321 1 . 1 1 69 69 ASN N N 69 118.203 118.203 118.718 -0.515 19622
322 1 . 1 1 69 69 ASN HA H 69 4.892 4.892 4.487 0.405 19622
323 1 . 1 1 69 69 ASN C C 69 174.610 174.610 174.962 -0.352 19622
324 1 . 1 1 69 69 ASN CA C 69 53.121 53.121 53.031 0.090 19622
325 1 . 1 1 69 69 ASN CB C 69 39.395 39.395 38.729 0.666 19622
326 1 . 1 1 69 69 ASN H H 69 7.536 7.536 7.725 -0.189 19622
327 1 . 1 1 70 70 GLY N N 70 104.994 104.994 105.463 -0.469 19622
328 1 . 1 1 70 70 GLY C C 70 174.423 174.423 173.572 0.851 19622
329 1 . 1 1 70 70 GLY CA C 70 45.178 45.178 44.710 0.468 19622
330 1 . 1 1 70 70 GLY H H 70 7.725 7.725 7.316 0.409 19622
331 1 . 1 1 71 71 PHE N N 71 117.987 117.987 119.451 -1.464 19622
332 1 . 1 1 71 71 PHE HA H 71 5.041 5.041 4.893 0.148 19622
333 1 . 1 1 71 71 PHE C C 71 175.618 175.618 174.337 1.281 19622
334 1 . 1 1 71 71 PHE CA C 71 60.490 60.490 55.640 4.850 19622
335 1 . 1 1 71 71 PHE CB C 71 39.860 39.860 41.241 -1.381 19622
336 1 . 1 1 71 71 PHE H H 71 7.750 7.750 7.940 -0.190 19622
337 1 . 1 1 72 72 VAL N N 72 117.069 117.069 116.523 0.546 19622
338 1 . 1 1 72 72 VAL HA H 72 5.073 5.073 4.813 0.260 19622
339 1 . 1 1 72 72 VAL CA C 72 57.273 57.273 59.578 -2.305 19622
340 1 . 1 1 72 72 VAL CB C 72 34.219 34.219 35.985 -1.766 19622
341 1 . 1 1 72 72 VAL H H 72 8.578 8.578 9.064 -0.486 19622
342 1 . 1 1 76 76 VAL HA H 76 2.939 2.939 4.176 -1.237 19622
343 1 . 1 1 76 76 VAL C C 76 172.825 172.825 173.700 -0.875 19622
344 1 . 1 1 76 76 VAL CA C 76 59.273 59.273 60.940 -1.667 19622
345 1 . 1 1 76 76 VAL CB C 76 31.330 31.330 31.250 0.080 19622
346 1 . 1 1 77 77 ALA N N 77 120.939 120.939 122.504 -1.565 19622
347 1 . 1 1 77 77 ALA HA H 77 5.141 5.141 5.244 -0.103 19622
348 1 . 1 1 77 77 ALA C C 77 175.744 175.744 175.266 0.478 19622
349 1 . 1 1 77 77 ALA CA C 77 49.687 49.687 51.077 -1.390 19622
350 1 . 1 1 77 77 ALA CB C 77 22.339 22.339 22.319 0.020 19622
351 1 . 1 1 77 77 ALA H H 77 6.318 6.318 7.539 -1.221 19622
352 1 . 1 1 78 78 TYR N N 78 122.466 122.466 117.904 4.562 19622
353 1 . 1 1 78 78 TYR HA H 78 5.380 5.380 5.084 0.296 19622
354 1 . 1 1 78 78 TYR CA C 78 54.396 54.396 54.255 0.142 19622
355 1 . 1 1 78 78 TYR CB C 78 39.660 39.660 39.493 0.167 19622
356 1 . 1 1 78 78 TYR H H 78 9.113 9.113 7.621 1.492 19622
357 1 . 1 1 79 79 PRO HA H 79 4.744 4.744 4.679 0.065 19622
358 1 . 1 1 79 79 PRO C C 79 176.434 176.434 176.919 -0.485 19622
359 1 . 1 1 79 79 PRO CA C 79 63.345 63.345 62.859 0.486 19622
360 1 . 1 1 79 79 PRO CB C 79 31.141 31.141 31.930 -0.789 19622
361 1 . 1 1 80 80 THR N N 80 110.712 110.712 113.342 -2.630 19622
362 1 . 1 1 80 80 THR HA H 80 4.204 4.204 4.010 0.195 19622
363 1 . 1 1 80 80 THR C C 80 171.733 171.733 174.086 -2.353 19622
364 1 . 1 1 80 80 THR CA C 80 60.121 60.121 61.997 -1.876 19622
365 1 . 1 1 80 80 THR CB C 80 68.267 68.267 69.134 -0.867 19622
366 1 . 1 1 80 80 THR H H 80 8.470 8.470 8.103 0.367 19622
367 1 . 1 1 81 81 SER N N 81 114.994 114.994 115.635 -0.641 19622
368 1 . 1 1 81 81 SER HA H 81 3.869 3.869 4.473 -0.605 19622
369 1 . 1 1 81 81 SER C C 81 172.754 172.754 172.073 0.681 19622
370 1 . 1 1 81 81 SER CA C 81 57.892 57.892 56.971 0.921 19622
371 1 . 1 1 81 81 SER CB C 81 66.405 66.405 65.708 0.697 19622
372 1 . 1 1 81 81 SER H H 81 7.604 7.604 7.201 0.403 19622
373 1 . 1 1 82 82 ASP N N 82 120.462 120.462 121.340 -0.878 19622
374 1 . 1 1 82 82 ASP HA H 82 5.164 5.164 4.828 0.336 19622
375 1 . 1 1 82 82 ASP C C 82 178.987 178.987 175.904 3.083 19622
376 1 . 1 1 82 82 ASP CA C 82 56.313 56.313 54.729 1.584 19622
377 1 . 1 1 82 82 ASP CB C 82 39.386 39.386 40.774 -1.388 19622
378 1 . 1 1 82 82 ASP H H 82 8.690 8.690 8.628 0.062 19622
379 1 . 1 1 83 83 CYS N N 83 120.974 120.974 119.786 1.188 19622
380 1 . 1 1 83 83 CYS HA H 83 5.139 5.139 4.983 0.156 19622
381 1 . 1 1 83 83 CYS C C 83 172.614 172.614 173.424 -0.810 19622
382 1 . 1 1 83 83 CYS CA C 83 56.370 56.370 56.066 0.304 19622
383 1 . 1 1 83 83 CYS CB C 83 31.550 31.550 31.711 -0.161 19622
384 1 . 1 1 83 83 CYS H H 83 8.922 8.922 8.453 0.470 19622
385 1 . 1 1 84 84 THR N N 84 116.819 116.819 116.580 0.239 19622
386 1 . 1 1 84 84 THR HA H 84 5.464 5.464 4.944 0.520 19622
387 1 . 1 1 84 84 THR C C 84 173.477 173.477 172.918 0.559 19622
388 1 . 1 1 84 84 THR CA C 84 61.171 61.171 62.394 -1.223 19622
389 1 . 1 1 84 84 THR CB C 84 70.791 70.791 70.639 0.152 19622
390 1 . 1 1 84 84 THR H H 84 8.637 8.637 8.149 0.488 19622
391 1 . 1 1 85 85 ILE N N 85 127.705 127.705 126.740 0.965 19622
392 1 . 1 1 85 85 ILE HA H 85 4.831 4.831 4.930 -0.099 19622
393 1 . 1 1 85 85 ILE C C 85 174.828 174.828 175.641 -0.813 19622
394 1 . 1 1 85 85 ILE CA C 85 57.901 57.901 58.141 -0.239 19622
395 1 . 1 1 85 85 ILE CB C 85 41.567 41.567 39.426 2.141 19622
396 1 . 1 1 85 85 ILE H H 85 9.433 9.433 9.120 0.313 19622
397 1 . 1 1 86 86 GLN N N 86 128.424 128.424 128.476 -0.053 19622
398 1 . 1 1 86 86 GLN HA H 86 5.081 5.081 4.624 0.456 19622
399 1 . 1 1 86 86 GLN C C 86 176.145 176.145 177.231 -1.086 19622
400 1 . 1 1 86 86 GLN CA C 86 54.821 54.821 57.265 -2.444 19622
401 1 . 1 1 86 86 GLN CB C 86 29.689 29.689 30.555 -0.866 19622
402 1 . 1 1 86 86 GLN H H 86 9.533 9.533 9.165 0.368 19622
403 1 . 1 1 87 87 THR N N 87 117.634 117.634 119.425 -1.791 19622
404 1 . 1 1 87 87 THR HA H 87 4.600 4.600 4.535 0.065 19622
405 1 . 1 1 87 87 THR C C 87 175.822 175.822 176.439 -0.617 19622
406 1 . 1 1 87 87 THR CA C 87 62.643 62.643 63.731 -1.088 19622
407 1 . 1 1 87 87 THR CB C 87 68.604 68.604 69.066 -0.462 19622
408 1 . 1 1 87 87 THR H H 87 8.292 8.292 8.969 -0.677 19622
409 1 . 1 1 88 88 HIS N N 88 117.083 117.083 119.777 -2.694 19622
410 1 . 1 1 88 88 HIS HA H 88 4.580 4.580 4.602 -0.022 19622
411 1 . 1 1 88 88 HIS C C 88 177.884 177.884 175.265 2.619 19622
412 1 . 1 1 88 88 HIS CA C 88 58.580 58.580 56.899 1.681 19622
413 1 . 1 1 88 88 HIS CB C 88 26.340 26.340 28.245 -1.905 19622
414 1 . 1 1 88 88 HIS H H 88 9.658 9.658 8.832 0.826 19622
415 1 . 1 1 89 89 GLN N N 89 112.869 112.869 118.095 -5.226 19622
416 1 . 1 1 89 89 GLN HA H 89 4.735 4.735 4.532 0.203 19622
417 1 . 1 1 89 89 GLN C C 89 175.239 175.239 176.686 -1.447 19622
418 1 . 1 1 89 89 GLN CA C 89 53.949 53.949 54.744 -0.795 19622
419 1 . 1 1 89 89 GLN CB C 89 29.312 29.312 27.186 2.126 19622
420 1 . 1 1 89 89 GLN H H 89 7.591 7.591 7.736 -0.145 19622
421 1 . 1 1 90 90 GLU N N 90 122.583 122.583 121.704 0.879 19622
422 1 . 1 1 90 90 GLU HA H 90 3.588 3.588 3.991 -0.403 19622
423 1 . 1 1 90 90 GLU C C 90 177.210 177.210 178.015 -0.805 19622
424 1 . 1 1 90 90 GLU CA C 90 61.485 61.485 59.564 1.921 19622
425 1 . 1 1 90 90 GLU CB C 90 29.147 29.147 28.484 0.663 19622
426 1 . 1 1 90 90 GLU H H 90 8.327 8.327 7.977 0.350 19622
427 1 . 1 1 91 91 GLU N N 91 115.209 115.209 120.522 -5.313 19622
428 1 . 1 1 91 91 GLU HA H 91 4.041 4.041 4.070 -0.029 19622
429 1 . 1 1 91 91 GLU C C 91 179.055 179.055 178.094 0.961 19622
430 1 . 1 1 91 91 GLU CA C 91 59.647 59.647 58.627 1.020 19622
431 1 . 1 1 91 91 GLU CB C 91 28.826 28.826 29.293 -0.467 19622
432 1 . 1 1 91 91 GLU H H 91 8.666 8.666 8.468 0.198 19622
433 1 . 1 1 92 92 ALA N N 92 121.790 121.790 121.047 0.743 19622
434 1 . 1 1 92 92 ALA HA H 92 4.212 4.212 3.873 0.339 19622
435 1 . 1 1 92 92 ALA C C 92 179.762 179.762 179.087 0.675 19622
436 1 . 1 1 92 92 ALA CA C 92 54.200 54.200 54.523 -0.323 19622
437 1 . 1 1 92 92 ALA CB C 92 16.917 16.917 17.890 -0.973 19622
438 1 . 1 1 92 92 ALA H H 92 7.628 7.628 7.953 -0.325 19622
439 1 . 1 1 93 93 LEU N N 93 119.699 119.699 116.810 2.889 19622
440 1 . 1 1 93 93 LEU HA H 93 3.263 3.263 3.897 -0.634 19622
441 1 . 1 1 93 93 LEU C C 93 177.803 177.803 177.751 0.052 19622
442 1 . 1 1 93 93 LEU CA C 93 57.031 57.031 56.968 0.063 19622
443 1 . 1 1 93 93 LEU CB C 93 41.310 41.310 41.687 -0.377 19622
444 1 . 1 1 93 93 LEU H H 93 7.694 7.694 7.305 0.389 19622
445 1 . 1 1 94 94 TYR N N 94 116.307 116.307 118.746 -2.439 19622
446 1 . 1 1 94 94 TYR HA H 94 4.374 4.374 4.427 -0.053 19622
447 1 . 1 1 94 94 TYR C C 94 176.548 176.548 176.496 0.052 19622
448 1 . 1 1 94 94 TYR CA C 94 58.822 58.822 60.381 -1.559 19622
449 1 . 1 1 94 94 TYR CB C 94 38.500 38.500 39.777 -1.277 19622
450 1 . 1 1 94 94 TYR H H 94 7.343 7.343 7.620 -0.277 19622
451 1 . 1 1 95 95 GLU N N 95 120.194 120.194 115.666 4.528 19622
452 1 . 1 1 95 95 GLU HA H 95 4.161 4.161 4.230 -0.069 19622
453 1 . 1 1 95 95 GLU C C 95 176.704 176.704 175.516 1.188 19622
454 1 . 1 1 95 95 GLU CA C 95 57.795 57.795 56.667 1.128 19622
455 1 . 1 1 95 95 GLU CB C 95 30.121 30.121 31.339 -1.218 19622
456 1 . 1 1 95 95 GLU H H 95 7.707 7.707 8.236 -0.528 19622
457 1 . 1 1 96 96 ASN N N 96 118.074 118.074 115.764 2.310 19622
458 1 . 1 1 96 96 ASN HA H 96 4.580 4.580 4.769 -0.189 19622
459 1 . 1 1 96 96 ASN C C 96 176.061 176.061 175.160 0.901 19622
460 1 . 1 1 96 96 ASN CA C 96 54.092 54.092 53.121 0.971 19622
461 1 . 1 1 96 96 ASN CB C 96 38.864 38.864 39.234 -0.370 19622
462 1 . 1 1 96 96 ASN H H 96 8.195 8.195 8.000 0.195 19622
463 1 . 1 1 97 97 LEU N N 97 120.760 120.760 120.072 0.688 19622
464 1 . 1 1 97 97 LEU HA H 97 4.142 4.142 3.856 0.286 19622
465 1 . 1 1 97 97 LEU C C 97 177.094 177.094 176.089 1.005 19622
466 1 . 1 1 97 97 LEU CA C 97 55.429 55.429 55.936 -0.507 19622
467 1 . 1 1 97 97 LEU CB C 97 42.562 42.562 41.358 1.204 19622
468 1 . 1 1 97 97 LEU H H 97 7.912 7.912 8.238 -0.326 19622
469 1 . 1 1 98 98 TYR N N 98 118.892 118.892 113.670 5.222 19622
470 1 . 1 1 98 98 TYR HA H 98 4.520 4.520 4.150 0.370 19622
471 1 . 1 1 98 98 TYR C C 98 175.296 175.296 175.182 0.114 19622
472 1 . 1 1 98 98 TYR CA C 98 57.640 57.640 58.794 -1.154 19622
473 1 . 1 1 98 98 TYR CB C 98 38.660 38.660 36.559 2.101 19622
474 1 . 1 1 98 98 TYR H H 98 7.898 7.898 7.751 0.147 19622
475 1 . 1 1 99 99 PHE N N 99 121.225 121.225 119.583 1.642 19622
476 1 . 1 1 99 99 PHE HA H 99 4.478 4.478 4.571 -0.092 19622
477 1 . 1 1 99 99 PHE C C 99 174.558 174.558 176.035 -1.477 19622
478 1 . 1 1 99 99 PHE CA C 99 58.151 58.151 58.055 0.096 19622
479 1 . 1 1 99 99 PHE CB C 99 39.561 39.561 38.673 0.888 19622
480 1 . 1 1 99 99 PHE H H 99 7.931 7.931 7.574 0.357 19622
stop_
save_