data_25627
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25627
_Entry.PDB_ID 2N2Y
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 25627
_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 HIS HA H -1 4.130 4.130 4.715 -0.585 25627
2 1 1 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 55.522 -0.673 25627
3 1 1 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 31.234 0.439 25627
4 1 1 . 1 1 0 0 MET N N 0 120.413 120.413 122.243 -1.830 25627
5 1 1 . 1 1 0 0 MET HA H 0 4.350 4.350 4.407 -0.057 25627
6 1 1 . 1 1 0 0 MET C C 0 175.829 175.829 176.183 -0.354 25627
7 1 1 . 1 1 0 0 MET CA C 0 55.134 55.134 55.241 -0.107 25627
8 1 1 . 1 1 0 0 MET CB C 0 32.391 32.391 33.093 -0.702 25627
9 1 1 . 1 1 0 0 MET H H 0 8.332 8.332 7.967 0.365 25627
10 1 1 . 1 1 1 1 MET N N 1 121.120 121.120 119.955 1.165 25627
11 1 1 . 1 1 1 1 MET HA H 1 4.443 4.443 4.484 -0.041 25627
12 1 1 . 1 1 1 1 MET C C 1 175.772 175.772 176.156 -0.384 25627
13 1 1 . 1 1 1 1 MET CA C 1 55.446 55.446 55.208 0.238 25627
14 1 1 . 1 1 1 1 MET CB C 1 32.774 32.774 33.000 -0.226 25627
15 1 1 . 1 1 1 1 MET H H 1 8.287 8.287 8.190 0.097 25627
16 1 1 . 1 1 2 2 ALA N N 2 125.673 125.673 127.406 -1.733 25627
17 1 1 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.417 -0.050 25627
18 1 1 . 1 1 2 2 ALA C C 2 177.821 177.821 177.944 -0.123 25627
19 1 1 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.235 0.333 25627
20 1 1 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.385 -0.148 25627
21 1 1 . 1 1 2 2 ALA H H 2 8.373 8.373 8.338 0.035 25627
22 1 1 . 1 1 3 3 THR N N 3 113.038 113.038 112.291 0.747 25627
23 1 1 . 1 1 3 3 THR HA H 3 4.354 4.354 4.404 -0.050 25627
24 1 1 . 1 1 3 3 THR C C 3 174.577 174.577 174.881 -0.304 25627
25 1 1 . 1 1 3 3 THR CA C 3 61.679 61.679 63.265 -1.586 25627
26 1 1 . 1 1 3 3 THR CB C 3 69.864 69.864 69.275 0.589 25627
27 1 1 . 1 1 3 3 THR H H 3 8.099 8.099 8.219 -0.120 25627
28 1 1 . 1 1 4 4 SER N N 4 117.235 117.235 116.426 0.809 25627
29 1 1 . 1 1 4 4 SER HA H 4 4.440 4.440 4.531 -0.091 25627
30 1 1 . 1 1 4 4 SER C C 4 173.887 173.887 174.124 -0.237 25627
31 1 1 . 1 1 4 4 SER CA C 4 58.314 58.314 58.907 -0.593 25627
32 1 1 . 1 1 4 4 SER CB C 4 63.951 63.951 63.708 0.243 25627
33 1 1 . 1 1 4 4 SER H H 4 8.238 8.238 7.953 0.285 25627
34 1 1 . 1 1 5 5 ASP N N 5 122.543 122.543 121.344 1.199 25627
35 1 1 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.758 -0.175 25627
36 1 1 . 1 1 5 5 ASP C C 5 175.690 175.690 174.872 0.818 25627
37 1 1 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.543 0.603 25627
38 1 1 . 1 1 5 5 ASP CB C 5 41.166 41.166 43.077 -1.911 25627
39 1 1 . 1 1 5 5 ASP H H 5 8.321 8.321 7.912 0.409 25627
40 1 1 . 1 1 6 6 VAL N N 6 121.235 121.235 121.441 -0.206 25627
41 1 1 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.200 -0.102 25627
42 1 1 . 1 1 6 6 VAL C C 6 175.211 175.211 175.871 -0.660 25627
43 1 1 . 1 1 6 6 VAL CA C 6 62.322 62.322 61.435 0.887 25627
44 1 1 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.869 -0.288 25627
45 1 1 . 1 1 6 6 VAL H H 6 7.942 7.942 8.305 -0.363 25627
46 1 1 . 1 1 7 7 LYS N N 7 125.356 125.356 128.796 -3.440 25627
47 1 1 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.593 -1.282 25627
48 1 1 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.948 1.546 25627
49 1 1 . 1 1 7 7 LYS H H 7 8.383 8.383 8.410 -0.027 25627
50 1 1 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.601 -0.642 25627
51 1 1 . 1 1 8 8 PRO C C 8 176.346 176.346 176.077 0.269 25627
52 1 1 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.048 -0.055 25627
53 1 1 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.361 -0.358 25627
54 1 1 . 1 1 9 9 LYS N N 9 122.609 122.609 123.509 -0.900 25627
55 1 1 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.317 -0.030 25627
56 1 1 . 1 1 9 9 LYS C C 9 177.164 177.164 176.484 0.680 25627
57 1 1 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.500 -0.278 25627
58 1 1 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.562 0.400 25627
59 1 1 . 1 1 9 9 LYS H H 9 9.393 9.393 9.071 0.322 25627
60 1 1 . 1 1 10 10 SER N N 10 111.655 111.655 111.595 0.060 25627
61 1 1 . 1 1 10 10 SER HA H 10 4.563 4.563 4.657 -0.094 25627
62 1 1 . 1 1 10 10 SER C C 10 171.697 171.697 172.121 -0.424 25627
63 1 1 . 1 1 10 10 SER CA C 10 57.614 57.614 57.685 -0.071 25627
64 1 1 . 1 1 10 10 SER CB C 10 64.687 64.687 66.450 -1.763 25627
65 1 1 . 1 1 10 10 SER H H 10 7.846 7.846 7.846 0.000 25627
66 1 1 . 1 1 11 11 ILE N N 11 121.054 121.054 120.980 0.074 25627
67 1 1 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.604 -0.073 25627
68 1 1 . 1 1 11 11 ILE C C 11 175.460 175.460 175.343 0.117 25627
69 1 1 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.416 0.378 25627
70 1 1 . 1 1 11 11 ILE CB C 11 41.105 41.105 40.299 0.806 25627
71 1 1 . 1 1 11 11 ILE H H 11 8.128 8.128 8.412 -0.284 25627
72 1 1 . 1 1 12 12 SER N N 12 122.340 122.340 122.530 -0.190 25627
73 1 1 . 1 1 12 12 SER HA H 12 4.757 4.757 4.913 -0.156 25627
74 1 1 . 1 1 12 12 SER C C 12 172.771 172.771 173.117 -0.346 25627
75 1 1 . 1 1 12 12 SER CA C 12 56.498 56.498 56.360 0.138 25627
76 1 1 . 1 1 12 12 SER CB C 12 65.418 65.418 65.651 -0.233 25627
77 1 1 . 1 1 12 12 SER H H 12 8.782 8.782 9.040 -0.258 25627
78 1 1 . 1 1 13 13 ARG N N 13 119.603 119.603 120.568 -0.965 25627
79 1 1 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.448 0.428 25627
80 1 1 . 1 1 13 13 ARG C C 13 176.720 176.720 175.931 0.789 25627
81 1 1 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.474 -0.166 25627
82 1 1 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.195 0.558 25627
83 1 1 . 1 1 13 13 ARG H H 13 8.374 8.374 8.550 -0.176 25627
84 1 1 . 1 1 14 14 ALA N N 14 127.004 127.004 128.752 -1.748 25627
85 1 1 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.232 -0.122 25627
86 1 1 . 1 1 14 14 ALA C C 14 176.523 176.523 176.553 -0.030 25627
87 1 1 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.447 0.096 25627
88 1 1 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.865 0.222 25627
89 1 1 . 1 1 14 14 ALA H H 14 8.725 8.725 8.315 0.410 25627
90 1 1 . 1 1 15 15 LYS N N 15 117.157 117.157 121.642 -4.485 25627
91 1 1 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.086 0.286 25627
92 1 1 . 1 1 15 15 LYS C C 15 176.383 176.383 176.138 0.245 25627
93 1 1 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.176 -0.550 25627
94 1 1 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.095 1.515 25627
95 1 1 . 1 1 15 15 LYS H H 15 8.518 8.518 8.568 -0.050 25627
96 1 1 . 1 1 16 16 LYS N N 16 116.265 116.265 117.233 -0.968 25627
97 1 1 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.441 0.134 25627
98 1 1 . 1 1 16 16 LYS C C 16 174.584 174.584 174.654 -0.070 25627
99 1 1 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.916 -0.223 25627
100 1 1 . 1 1 16 16 LYS CB C 16 35.604 35.604 33.937 1.667 25627
101 1 1 . 1 1 16 16 LYS H H 16 7.429 7.429 7.373 0.056 25627
102 1 1 . 1 1 17 17 TRP N N 17 123.638 123.638 121.308 2.330 25627
103 1 1 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.780 -0.995 25627
104 1 1 . 1 1 17 17 TRP C C 17 174.781 174.781 174.440 0.341 25627
105 1 1 . 1 1 17 17 TRP CA C 17 61.877 61.877 58.231 3.646 25627
106 1 1 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.841 -0.920 25627
107 1 1 . 1 1 17 17 TRP H H 17 9.412 9.412 8.605 0.807 25627
108 1 1 . 1 1 18 18 SER N N 18 119.926 119.926 119.287 0.639 25627
109 1 1 . 1 1 18 18 SER HA H 18 3.831 3.831 3.927 -0.096 25627
110 1 1 . 1 1 18 18 SER C C 18 172.100 172.100 174.561 -2.461 25627
111 1 1 . 1 1 18 18 SER CA C 18 56.830 56.830 55.994 0.836 25627
112 1 1 . 1 1 18 18 SER CB C 18 66.241 66.241 65.294 0.946 25627
113 1 1 . 1 1 18 18 SER H H 18 6.081 6.081 7.965 -1.884 25627
114 1 1 . 1 1 19 19 GLU N N 19 120.673 120.673 124.486 -3.813 25627
115 1 1 . 1 1 19 19 GLU HA H 19 3.647 3.647 4.020 -0.373 25627
116 1 1 . 1 1 19 19 GLU C C 19 177.682 177.682 177.845 -0.163 25627
117 1 1 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.987 0.592 25627
118 1 1 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.511 -0.888 25627
119 1 1 . 1 1 19 19 GLU H H 19 9.355 9.355 8.705 0.650 25627
120 1 1 . 1 1 20 20 GLU N N 20 117.979 117.979 118.192 -0.213 25627
121 1 1 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.113 0.111 25627
122 1 1 . 1 1 20 20 GLU C C 20 179.454 179.454 178.587 0.867 25627
123 1 1 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.834 0.417 25627
124 1 1 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.521 0.194 25627
125 1 1 . 1 1 20 20 GLU H H 20 7.946 7.946 7.532 0.414 25627
126 1 1 . 1 1 21 21 ILE N N 21 121.560 121.560 120.596 0.964 25627
127 1 1 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.930 -0.153 25627
128 1 1 . 1 1 21 21 ILE C C 21 176.700 176.700 178.032 -1.332 25627
129 1 1 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.447 -0.469 25627
130 1 1 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.886 -0.792 25627
131 1 1 . 1 1 21 21 ILE H H 21 7.122 7.122 8.241 -1.119 25627
132 1 1 . 1 1 22 22 GLU N N 22 121.372 121.372 120.787 0.585 25627
133 1 1 . 1 1 22 22 GLU HA H 22 3.999 3.999 4.029 -0.030 25627
134 1 1 . 1 1 22 22 GLU C C 22 178.416 178.416 179.020 -0.604 25627
135 1 1 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.027 -1.009 25627
136 1 1 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.499 -1.347 25627
137 1 1 . 1 1 22 22 GLU H H 22 8.017 8.017 8.190 -0.173 25627
138 1 1 . 1 1 23 23 ASN N N 23 114.717 114.717 117.776 -3.059 25627
139 1 1 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.610 0.127 25627
140 1 1 . 1 1 23 23 ASN C C 23 177.565 177.565 177.749 -0.184 25627
141 1 1 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.394 -0.030 25627
142 1 1 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.651 0.155 25627
143 1 1 . 1 1 23 23 ASN H H 23 7.352 7.352 7.859 -0.507 25627
144 1 1 . 1 1 24 24 LEU N N 24 122.083 122.083 120.900 1.183 25627
145 1 1 . 1 1 24 24 LEU HA H 24 4.403 4.403 4.008 0.395 25627
146 1 1 . 1 1 24 24 LEU C C 24 178.487 178.487 179.133 -0.646 25627
147 1 1 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.162 1.335 25627
148 1 1 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.913 0.322 25627
149 1 1 . 1 1 24 24 LEU H H 24 8.232 8.232 7.720 0.512 25627
150 1 1 . 1 1 25 25 TYR N N 25 118.898 118.898 120.055 -1.157 25627
151 1 1 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.159 -0.084 25627
152 1 1 . 1 1 25 25 TYR C C 25 177.164 177.164 177.495 -0.331 25627
153 1 1 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.168 0.373 25627
154 1 1 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.173 -0.639 25627
155 1 1 . 1 1 25 25 TYR H H 25 9.056 9.056 8.777 0.279 25627
156 1 1 . 1 1 26 26 ARG N N 26 119.000 119.000 118.590 0.410 25627
157 1 1 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.326 0.032 25627
158 1 1 . 1 1 26 26 ARG C C 26 179.709 179.709 178.708 1.001 25627
159 1 1 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.438 0.831 25627
160 1 1 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.451 -0.857 25627
161 1 1 . 1 1 26 26 ARG H H 26 7.672 7.672 7.741 -0.069 25627
162 1 1 . 1 1 27 27 PHE N N 27 119.640 119.640 119.523 0.117 25627
163 1 1 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.104 -0.234 25627
164 1 1 . 1 1 27 27 PHE C C 27 178.542 178.542 177.992 0.550 25627
165 1 1 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.490 1.942 25627
166 1 1 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.710 -0.750 25627
167 1 1 . 1 1 27 27 PHE H H 27 8.497 8.497 8.566 -0.069 25627
168 1 1 . 1 1 28 28 GLN N N 28 120.400 120.400 118.834 1.566 25627
169 1 1 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.127 0.598 25627
170 1 1 . 1 1 28 28 GLN C C 28 182.258 182.258 178.593 3.665 25627
171 1 1 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.709 0.254 25627
172 1 1 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.682 -1.921 25627
173 1 1 . 1 1 28 28 GLN H H 28 8.995 8.995 8.682 0.313 25627
174 1 1 . 1 1 29 29 GLN N N 29 122.649 122.649 117.636 5.013 25627
175 1 1 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.908 0.048 25627
176 1 1 . 1 1 29 29 GLN C C 29 177.046 177.046 178.182 -1.136 25627
177 1 1 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.254 -0.025 25627
178 1 1 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.054 1.157 25627
179 1 1 . 1 1 29 29 GLN H H 29 8.728 8.728 7.991 0.737 25627
180 1 1 . 1 1 30 30 ALA N N 30 117.672 117.672 117.996 -0.324 25627
181 1 1 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.899 0.230 25627
182 1 1 . 1 1 30 30 ALA C C 30 175.371 175.371 176.854 -1.483 25627
183 1 1 . 1 1 30 30 ALA CA C 30 52.212 52.212 53.152 -0.940 25627
184 1 1 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.748 0.448 25627
185 1 1 . 1 1 30 30 ALA H H 30 7.120 7.120 7.596 -0.476 25627
186 1 1 . 1 1 31 31 GLY N N 31 103.200 103.200 102.380 0.820 25627
187 1 1 . 1 1 31 31 GLY C C 31 173.625 173.625 173.421 0.204 25627
188 1 1 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.692 0.616 25627
189 1 1 . 1 1 31 31 GLY H H 31 7.474 7.474 7.565 -0.091 25627
190 1 1 . 1 1 32 32 TYR N N 32 121.303 121.303 119.988 1.315 25627
191 1 1 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.808 0.129 25627
192 1 1 . 1 1 32 32 TYR C C 32 174.419 174.419 175.865 -1.446 25627
193 1 1 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.505 0.707 25627
194 1 1 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.069 2.345 25627
195 1 1 . 1 1 32 32 TYR H H 32 8.403 8.403 7.784 0.619 25627
196 1 1 . 1 1 33 33 ARG N N 33 118.245 118.245 119.883 -1.638 25627
197 1 1 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.720 0.231 25627
198 1 1 . 1 1 33 33 ARG C C 33 175.618 175.618 174.860 0.758 25627
199 1 1 . 1 1 33 33 ARG CA C 33 60.574 60.574 56.929 3.645 25627
200 1 1 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.459 1.526 25627
201 1 1 . 1 1 33 33 ARG H H 33 9.571 9.571 8.692 0.879 25627
202 1 1 . 1 1 34 34 ASP N N 34 105.630 105.630 114.713 -9.083 25627
203 1 1 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.442 -0.619 25627
204 1 1 . 1 1 34 34 ASP C C 34 174.754 174.754 175.895 -1.141 25627
205 1 1 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.208 0.057 25627
206 1 1 . 1 1 34 34 ASP CB C 34 39.819 39.819 41.760 -1.941 25627
207 1 1 . 1 1 34 34 ASP H H 34 6.995 6.995 7.640 -0.645 25627
208 1 1 . 1 1 35 35 GLU N N 35 118.215 118.215 118.554 -0.339 25627
209 1 1 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.727 -0.824 25627
210 1 1 . 1 1 35 35 GLU C C 35 177.043 177.043 178.509 -1.466 25627
211 1 1 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.635 -1.034 25627
212 1 1 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.080 1.033 25627
213 1 1 . 1 1 35 35 GLU H H 35 7.818 7.818 8.245 -0.427 25627
214 1 1 . 1 1 36 36 ILE N N 36 118.404 118.404 118.202 0.202 25627
215 1 1 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.624 -0.203 25627
216 1 1 . 1 1 36 36 ILE C C 36 179.143 179.143 177.947 1.196 25627
217 1 1 . 1 1 36 36 ILE CA C 36 64.460 64.460 64.155 0.305 25627
218 1 1 . 1 1 36 36 ILE CB C 36 36.502 36.502 36.727 -0.225 25627
219 1 1 . 1 1 36 36 ILE H H 36 6.833 6.833 7.983 -1.150 25627
220 1 1 . 1 1 37 37 GLU N N 37 120.573 120.573 119.974 0.599 25627
221 1 1 . 1 1 37 37 GLU HA H 37 4.006 4.006 3.977 0.029 25627
222 1 1 . 1 1 37 37 GLU C C 37 178.417 178.417 178.458 -0.041 25627
223 1 1 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.820 0.604 25627
224 1 1 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.337 0.561 25627
225 1 1 . 1 1 37 37 GLU H H 37 8.463 8.463 8.108 0.355 25627
226 1 1 . 1 1 38 38 TYR N N 38 117.942 117.942 120.856 -2.914 25627
227 1 1 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.176 0.307 25627
228 1 1 . 1 1 38 38 TYR C C 38 176.772 176.772 177.366 -0.594 25627
229 1 1 . 1 1 38 38 TYR CA C 38 62.767 62.767 60.760 2.007 25627
230 1 1 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.356 1.623 25627
231 1 1 . 1 1 38 38 TYR H H 38 7.949 7.949 7.652 0.297 25627
232 1 1 . 1 1 39 39 LYS N N 39 115.539 115.539 117.907 -2.368 25627
233 1 1 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.443 0.205 25627
234 1 1 . 1 1 39 39 LYS C C 39 179.543 179.543 178.845 0.698 25627
235 1 1 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.796 0.851 25627
236 1 1 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.871 0.352 25627
237 1 1 . 1 1 39 39 LYS H H 39 8.287 8.287 8.482 -0.195 25627
238 1 1 . 1 1 40 40 GLN N N 40 118.265 118.265 119.049 -0.784 25627
239 1 1 . 1 1 40 40 GLN HA H 40 4.011 4.011 3.943 0.068 25627
240 1 1 . 1 1 40 40 GLN C C 40 178.263 178.263 177.679 0.584 25627
241 1 1 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.694 0.058 25627
242 1 1 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.543 0.033 25627
243 1 1 . 1 1 40 40 GLN H H 40 7.605 7.605 7.478 0.127 25627
244 1 1 . 1 1 41 41 VAL N N 41 118.627 118.627 119.079 -0.452 25627
245 1 1 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.673 0.089 25627
246 1 1 . 1 1 41 41 VAL C C 41 178.092 178.092 177.710 0.382 25627
247 1 1 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.495 0.214 25627
248 1 1 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.735 0.907 25627
249 1 1 . 1 1 41 41 VAL H H 41 8.470 8.470 7.354 1.116 25627
250 1 1 . 1 1 42 42 LYS N N 42 115.117 115.117 116.616 -1.499 25627
251 1 1 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.377 -0.127 25627
252 1 1 . 1 1 42 42 LYS C C 42 176.102 176.102 175.443 0.659 25627
253 1 1 . 1 1 42 42 LYS CA C 42 53.901 53.901 55.166 -1.265 25627
254 1 1 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.553 -1.388 25627
255 1 1 . 1 1 42 42 LYS H H 42 8.263 8.263 7.327 0.936 25627
256 1 1 . 1 1 43 43 GLN N N 43 116.108 116.108 116.520 -0.412 25627
257 1 1 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.918 0.050 25627
258 1 1 . 1 1 43 43 GLN C C 43 175.125 175.125 175.241 -0.116 25627
259 1 1 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.620 -0.065 25627
260 1 1 . 1 1 43 43 GLN CB C 43 25.912 25.912 26.107 -0.195 25627
261 1 1 . 1 1 43 43 GLN H H 43 7.717 7.717 7.820 -0.103 25627
262 1 1 . 1 1 44 44 VAL N N 44 110.285 110.285 113.085 -2.800 25627
263 1 1 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.373 0.185 25627
264 1 1 . 1 1 44 44 VAL C C 44 175.431 175.431 174.386 1.045 25627
265 1 1 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.141 0.099 25627
266 1 1 . 1 1 44 44 VAL CB C 44 34.732 34.732 33.489 1.243 25627
267 1 1 . 1 1 44 44 VAL H H 44 6.817 6.817 7.701 -0.884 25627
268 1 1 . 1 1 45 45 ALA N N 45 123.422 123.422 120.727 2.695 25627
269 1 1 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.528 -0.173 25627
270 1 1 . 1 1 45 45 ALA C C 45 177.543 177.543 177.364 0.179 25627
271 1 1 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.671 0.150 25627
272 1 1 . 1 1 45 45 ALA CB C 45 19.812 19.812 20.051 -0.239 25627
273 1 1 . 1 1 45 45 ALA H H 45 8.571 8.571 8.239 0.332 25627
274 1 1 . 1 1 46 46 MET N N 46 114.808 114.808 120.107 -5.299 25627
275 1 1 . 1 1 46 46 MET HA H 46 4.724 4.724 4.713 0.011 25627
276 1 1 . 1 1 46 46 MET C C 46 173.698 173.698 175.141 -1.443 25627
277 1 1 . 1 1 46 46 MET CA C 46 54.230 54.230 54.421 -0.191 25627
278 1 1 . 1 1 46 46 MET CB C 46 34.793 34.793 33.935 0.858 25627
279 1 1 . 1 1 46 46 MET H H 46 7.657 7.657 7.811 -0.154 25627
280 1 1 . 1 1 47 47 VAL N N 47 120.757 120.757 123.427 -2.670 25627
281 1 1 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.347 -0.068 25627
282 1 1 . 1 1 47 47 VAL C C 47 174.985 174.985 175.024 -0.039 25627
283 1 1 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.381 -0.345 25627
284 1 1 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.709 0.117 25627
285 1 1 . 1 1 47 47 VAL H H 47 8.459 8.459 8.315 0.144 25627
286 1 1 . 1 1 48 48 ASP N N 48 126.251 126.251 126.346 -0.095 25627
287 1 1 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.484 -0.011 25627
288 1 1 . 1 1 48 48 ASP C C 48 175.819 175.819 174.990 0.829 25627
289 1 1 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.905 0.567 25627
290 1 1 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.392 0.742 25627
291 1 1 . 1 1 48 48 ASP H H 48 8.929 8.929 8.626 0.303 25627
292 1 1 . 1 1 49 49 ARG N N 49 122.995 122.995 122.740 0.255 25627
293 1 1 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.298 -0.539 25627
294 1 1 . 1 1 49 49 ARG C C 49 176.363 176.363 175.353 1.010 25627
295 1 1 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.533 0.081 25627
296 1 1 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.700 -0.230 25627
297 1 1 . 1 1 49 49 ARG H H 49 8.534 8.534 8.088 0.446 25627
298 1 1 . 1 1 50 50 TRP N N 50 125.191 125.191 122.348 2.843 25627
299 1 1 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.139 -0.475 25627
300 1 1 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.707 -0.112 25627
301 1 1 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.671 -0.558 25627
302 1 1 . 1 1 50 50 TRP H H 50 9.111 9.111 8.430 0.681 25627
303 1 1 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.236 0.109 25627
304 1 1 . 1 1 51 51 PRO C C 51 178.698 178.698 177.738 0.960 25627
305 1 1 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.261 -0.687 25627
306 1 1 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.189 -0.026 25627
307 1 1 . 1 1 52 52 GLU N N 52 116.570 116.570 119.303 -2.733 25627
308 1 1 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.192 -0.222 25627
309 1 1 . 1 1 52 52 GLU C C 52 178.031 178.031 177.739 0.292 25627
310 1 1 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.809 1.950 25627
311 1 1 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.671 -0.057 25627
312 1 1 . 1 1 52 52 GLU H H 52 9.951 9.951 8.879 1.072 25627
313 1 1 . 1 1 53 53 THR N N 53 103.788 103.788 106.343 -2.555 25627
314 1 1 . 1 1 53 53 THR HA H 53 4.135 4.135 4.403 -0.268 25627
315 1 1 . 1 1 53 53 THR C C 53 175.731 175.731 174.768 0.963 25627
316 1 1 . 1 1 53 53 THR CA C 53 60.427 60.427 62.015 -1.588 25627
317 1 1 . 1 1 53 53 THR CB C 53 70.762 70.762 71.249 -0.487 25627
318 1 1 . 1 1 53 53 THR H H 53 7.120 7.120 7.719 -0.599 25627
319 1 1 . 1 1 54 54 GLY N N 54 109.195 109.195 110.611 -1.416 25627
320 1 1 . 1 1 54 54 GLY C C 54 174.593 174.593 173.780 0.813 25627
321 1 1 . 1 1 54 54 GLY CA C 54 45.748 45.748 44.870 0.878 25627
322 1 1 . 1 1 54 54 GLY H H 54 8.227 8.227 8.257 -0.030 25627
323 1 1 . 1 1 55 55 TYR N N 55 119.038 119.038 119.770 -0.732 25627
324 1 1 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.748 0.957 25627
325 1 1 . 1 1 55 55 TYR C C 55 177.556 177.556 176.152 1.404 25627
326 1 1 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.719 -3.989 25627
327 1 1 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.555 -0.814 25627
328 1 1 . 1 1 55 55 TYR H H 55 7.353 7.353 7.363 -0.010 25627
329 1 1 . 1 1 56 56 VAL N N 56 120.089 120.089 121.362 -1.273 25627
330 1 1 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.252 -0.639 25627
331 1 1 . 1 1 56 56 VAL C C 56 174.564 174.564 176.908 -2.344 25627
332 1 1 . 1 1 56 56 VAL CA C 56 64.767 64.767 63.682 1.085 25627
333 1 1 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.946 0.821 25627
334 1 1 . 1 1 56 56 VAL H H 56 8.252 8.252 8.582 -0.330 25627
335 1 1 . 1 1 57 57 LYS N N 57 127.233 127.233 128.351 -1.118 25627
336 1 1 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.698 -0.250 25627
337 1 1 . 1 1 57 57 LYS C C 57 175.256 175.256 176.313 -1.057 25627
338 1 1 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.302 -1.319 25627
339 1 1 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.672 1.578 25627
340 1 1 . 1 1 57 57 LYS H H 57 9.005 9.005 8.720 0.285 25627
341 1 1 . 1 1 58 58 LYS N N 58 115.918 115.918 114.021 1.897 25627
342 1 1 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.223 0.147 25627
343 1 1 . 1 1 58 58 LYS C C 58 174.030 174.030 174.911 -0.881 25627
344 1 1 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.062 -0.208 25627
345 1 1 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.059 -0.236 25627
346 1 1 . 1 1 58 58 LYS H H 58 6.921 6.921 7.669 -0.748 25627
347 1 1 . 1 1 59 59 LEU N N 59 121.666 121.666 121.207 0.459 25627
348 1 1 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.549 0.100 25627
349 1 1 . 1 1 59 59 LEU C C 59 174.451 174.451 175.106 -0.655 25627
350 1 1 . 1 1 59 59 LEU CA C 59 53.472 53.472 53.891 -0.419 25627
351 1 1 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.267 0.672 25627
352 1 1 . 1 1 59 59 LEU H H 59 8.793 8.793 8.657 0.136 25627
353 1 1 . 1 1 60 60 GLN N N 60 121.710 121.710 124.811 -3.101 25627
354 1 1 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.356 0.080 25627
355 1 1 . 1 1 60 60 GLN C C 60 176.636 176.636 175.376 1.260 25627
356 1 1 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.975 -1.058 25627
357 1 1 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.244 1.092 25627
358 1 1 . 1 1 60 60 GLN H H 60 8.879 8.879 8.686 0.193 25627
359 1 1 . 1 1 61 61 ARG N N 61 126.172 126.172 124.410 1.762 25627
360 1 1 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.258 0.285 25627
361 1 1 . 1 1 61 61 ARG C C 61 178.315 178.315 177.814 0.501 25627
362 1 1 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.493 2.080 25627
363 1 1 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.901 1.000 25627
364 1 1 . 1 1 61 61 ARG H H 61 9.387 9.387 8.511 0.876 25627
365 1 1 . 1 1 62 62 ARG N N 62 123.754 123.754 120.178 3.576 25627
366 1 1 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.064 -0.196 25627
367 1 1 . 1 1 62 62 ARG C C 62 176.508 176.508 176.420 0.088 25627
368 1 1 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.372 1.491 25627
369 1 1 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.866 -0.402 25627
370 1 1 . 1 1 62 62 ARG H H 62 9.385 9.385 8.339 1.046 25627
371 1 1 . 1 1 63 63 ASP N N 63 116.155 116.155 118.172 -2.017 25627
372 1 1 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.631 -0.200 25627
373 1 1 . 1 1 63 63 ASP C C 63 176.163 176.163 175.376 0.787 25627
374 1 1 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.898 -0.712 25627
375 1 1 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.002 -0.246 25627
376 1 1 . 1 1 63 63 ASP H H 63 7.505 7.505 8.306 -0.801 25627
377 1 1 . 1 1 64 64 ASN N N 64 110.183 110.183 113.571 -3.388 25627
378 1 1 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.259 -0.172 25627
379 1 1 . 1 1 64 64 ASN C C 64 175.432 175.432 173.552 1.880 25627
380 1 1 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.244 1.186 25627
381 1 1 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.251 -0.217 25627
382 1 1 . 1 1 64 64 ASN H H 64 7.791 7.791 8.061 -0.270 25627
383 1 1 . 1 1 65 65 THR N N 65 112.736 112.736 109.729 3.007 25627
384 1 1 . 1 1 65 65 THR HA H 65 4.414 4.414 4.526 -0.112 25627
385 1 1 . 1 1 65 65 THR C C 65 173.653 173.653 173.725 -0.072 25627
386 1 1 . 1 1 65 65 THR CA C 65 62.342 62.342 60.455 1.887 25627
387 1 1 . 1 1 65 65 THR CB C 65 70.946 70.946 71.349 -0.403 25627
388 1 1 . 1 1 65 65 THR H H 65 7.921 7.921 7.172 0.749 25627
389 1 1 . 1 1 66 66 PHE N N 66 118.850 118.850 124.789 -5.939 25627
390 1 1 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.427 0.717 25627
391 1 1 . 1 1 66 66 PHE C C 66 174.762 174.762 174.903 -0.141 25627
392 1 1 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.756 -0.277 25627
393 1 1 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.492 2.771 25627
394 1 1 . 1 1 66 66 PHE H H 66 8.926 8.926 8.849 0.077 25627
395 1 1 . 1 1 67 67 PHE N N 67 124.259 124.259 126.923 -2.664 25627
396 1 1 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.756 -0.092 25627
397 1 1 . 1 1 67 67 PHE C C 67 173.553 173.553 173.289 0.264 25627
398 1 1 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.229 -0.325 25627
399 1 1 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.062 0.275 25627
400 1 1 . 1 1 67 67 PHE H H 67 9.142 9.142 8.430 0.712 25627
401 1 1 . 1 1 68 68 TYR N N 68 122.881 122.881 126.533 -3.652 25627
402 1 1 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.489 0.382 25627
403 1 1 . 1 1 68 68 TYR C C 68 174.835 174.835 175.211 -0.376 25627
404 1 1 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.454 -1.061 25627
405 1 1 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.761 1.428 25627
406 1 1 . 1 1 68 68 TYR H H 68 8.064 8.064 8.117 -0.053 25627
407 1 1 . 1 1 69 69 TYR N N 69 118.675 118.675 123.150 -4.475 25627
408 1 1 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.829 0.196 25627
409 1 1 . 1 1 69 69 TYR C C 69 177.181 177.181 175.434 1.747 25627
410 1 1 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.548 -0.636 25627
411 1 1 . 1 1 69 69 TYR CB C 69 43.423 43.423 42.058 1.365 25627
412 1 1 . 1 1 69 69 TYR H H 69 8.384 8.384 8.571 -0.187 25627
413 1 1 . 1 1 70 70 ASN N N 70 122.917 122.917 119.989 2.928 25627
414 1 1 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.858 -0.063 25627
415 1 1 . 1 1 70 70 ASN C C 70 175.433 175.433 176.100 -0.667 25627
416 1 1 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.460 0.899 25627
417 1 1 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.121 0.256 25627
418 1 1 . 1 1 70 70 ASN H H 70 9.832 9.832 8.831 1.001 25627
419 1 1 . 1 1 71 71 LYS N N 71 123.116 123.116 124.889 -1.773 25627
420 1 1 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.246 -2.007 25627
421 1 1 . 1 1 71 71 LYS C C 71 175.495 175.495 177.125 -1.630 25627
422 1 1 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.382 0.039 25627
423 1 1 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.097 -0.020 25627
424 1 1 . 1 1 71 71 LYS H H 71 8.047 8.047 8.655 -0.608 25627
425 1 1 . 1 1 72 72 GLU N N 72 113.242 113.242 120.691 -7.449 25627
426 1 1 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.247 0.131 25627
427 1 1 . 1 1 72 72 GLU C C 72 175.018 175.018 175.546 -0.528 25627
428 1 1 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.851 -1.044 25627
429 1 1 . 1 1 72 72 GLU CB C 72 30.432 30.432 27.950 2.482 25627
430 1 1 . 1 1 72 72 GLU H H 72 7.335 7.335 7.926 -0.591 25627
431 1 1 . 1 1 73 73 ARG N N 73 118.120 118.120 120.688 -2.568 25627
432 1 1 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.997 -0.643 25627
433 1 1 . 1 1 73 73 ARG C C 73 175.859 175.859 175.736 0.123 25627
434 1 1 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.263 0.411 25627
435 1 1 . 1 1 73 73 ARG CB C 73 31.134 31.134 29.484 1.650 25627
436 1 1 . 1 1 73 73 ARG H H 73 8.174 8.174 8.457 -0.283 25627
437 1 1 . 1 1 74 74 GLU N N 74 127.360 127.360 123.811 3.549 25627
438 1 1 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.410 0.083 25627
439 1 1 . 1 1 74 74 GLU C C 74 176.415 176.415 176.004 0.411 25627
440 1 1 . 1 1 74 74 GLU CA C 74 57.061 57.061 56.490 0.571 25627
441 1 1 . 1 1 74 74 GLU CB C 74 33.462 33.462 31.522 1.940 25627
442 1 1 . 1 1 74 74 GLU H H 74 10.788 10.788 8.600 2.188 25627
443 1 1 . 1 1 75 75 CYS N N 75 123.441 123.441 120.015 3.426 25627
444 1 1 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.260 -0.784 25627
445 1 1 . 1 1 75 75 CYS C C 75 174.198 174.198 174.700 -0.502 25627
446 1 1 . 1 1 75 75 CYS CA C 75 59.022 59.022 60.990 -1.968 25627
447 1 1 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.267 -2.045 25627
448 1 1 . 1 1 75 75 CYS H H 75 9.198 9.198 7.759 1.439 25627
449 1 1 . 1 1 76 76 GLU N N 76 131.177 131.177 126.553 4.624 25627
450 1 1 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.353 -0.358 25627
451 1 1 . 1 1 76 76 GLU C C 76 177.122 177.122 176.420 0.702 25627
452 1 1 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.798 2.018 25627
453 1 1 . 1 1 76 76 GLU CB C 76 30.668 30.668 31.447 -0.779 25627
454 1 1 . 1 1 76 76 GLU H H 76 8.452 8.452 8.279 0.173 25627
455 1 1 . 1 1 77 77 ASP N N 77 123.154 123.154 122.973 0.181 25627
456 1 1 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.434 -0.098 25627
457 1 1 . 1 1 77 77 ASP C C 77 179.545 179.545 178.302 1.243 25627
458 1 1 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.852 0.758 25627
459 1 1 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.566 -0.617 25627
460 1 1 . 1 1 77 77 ASP H H 77 9.067 9.067 8.592 0.475 25627
461 1 1 . 1 1 78 78 LYS N N 78 116.055 116.055 117.563 -1.508 25627
462 1 1 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.041 0.257 25627
463 1 1 . 1 1 78 78 LYS C C 78 176.146 176.146 179.196 -3.050 25627
464 1 1 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.273 -0.788 25627
465 1 1 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.143 -0.303 25627
466 1 1 . 1 1 78 78 LYS H H 78 8.664 8.664 8.348 0.316 25627
467 1 1 . 1 1 79 79 GLU N N 79 117.481 117.481 120.012 -2.531 25627
468 1 1 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.177 0.270 25627
469 1 1 . 1 1 79 79 GLU C C 79 177.666 177.666 178.601 -0.935 25627
470 1 1 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.502 -2.897 25627
471 1 1 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.353 1.635 25627
472 1 1 . 1 1 79 79 GLU H H 79 7.735 7.735 8.247 -0.512 25627
473 1 1 . 1 1 80 80 VAL N N 80 121.192 121.192 120.506 0.686 25627
474 1 1 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.564 -0.321 25627
475 1 1 . 1 1 80 80 VAL C C 80 176.731 176.731 177.490 -0.759 25627
476 1 1 . 1 1 80 80 VAL CA C 80 66.875 66.875 67.133 -0.258 25627
477 1 1 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.850 0.323 25627
478 1 1 . 1 1 80 80 VAL H H 80 7.274 7.274 7.875 -0.601 25627
479 1 1 . 1 1 81 81 HIS N N 81 112.861 112.861 114.366 -1.505 25627
480 1 1 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.394 0.254 25627
481 1 1 . 1 1 81 81 HIS C C 81 175.330 175.330 176.979 -1.649 25627
482 1 1 . 1 1 81 81 HIS CA C 81 57.747 57.747 58.915 -1.168 25627
483 1 1 . 1 1 81 81 HIS CB C 81 29.180 29.180 29.730 -0.550 25627
484 1 1 . 1 1 81 81 HIS H H 81 8.157 8.157 7.701 0.456 25627
485 1 1 . 1 1 82 82 LYS N N 82 117.850 117.850 117.175 0.675 25627
486 1 1 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.247 -0.236 25627
487 1 1 . 1 1 82 82 LYS C C 82 177.430 177.430 176.470 0.960 25627
488 1 1 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.429 -0.838 25627
489 1 1 . 1 1 82 82 LYS CB C 82 33.083 33.083 33.176 -0.093 25627
490 1 1 . 1 1 82 82 LYS H H 82 7.264 7.264 7.598 -0.335 25627
491 1 1 . 1 1 83 83 VAL N N 83 123.619 123.619 119.617 4.002 25627
492 1 1 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.093 -0.213 25627
493 1 1 . 1 1 83 83 VAL C C 83 175.239 175.239 175.375 -0.136 25627
494 1 1 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.136 1.676 25627
495 1 1 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.304 -0.756 25627
496 1 1 . 1 1 83 83 VAL H H 83 8.126 8.126 8.154 -0.028 25627
497 1 1 . 1 1 84 84 LYS N N 84 128.994 128.994 126.618 2.376 25627
498 1 1 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.677 -0.224 25627
499 1 1 . 1 1 84 84 LYS C C 84 174.399 174.399 175.578 -1.179 25627
500 1 1 . 1 1 84 84 LYS CA C 84 55.817 55.817 55.032 0.785 25627
501 1 1 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.722 -0.616 25627
502 1 1 . 1 1 84 84 LYS H H 84 9.031 9.031 8.066 0.965 25627
503 1 1 . 1 1 85 85 VAL N N 85 120.723 120.723 120.376 0.347 25627
504 1 1 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.468 -0.438 25627
505 1 1 . 1 1 85 85 VAL C C 85 175.482 175.482 174.247 1.235 25627
506 1 1 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.048 0.594 25627
507 1 1 . 1 1 85 85 VAL CB C 85 32.488 32.488 34.778 -2.290 25627
508 1 1 . 1 1 85 85 VAL H H 85 8.299 8.299 9.061 -0.762 25627
509 1 1 . 1 1 86 86 TYR N N 86 126.214 126.214 126.716 -0.502 25627
510 1 1 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.963 -0.237 25627
511 1 1 . 1 1 86 86 TYR C C 86 175.214 175.214 176.444 -1.230 25627
512 1 1 . 1 1 86 86 TYR CA C 86 58.540 58.540 58.327 0.214 25627
513 1 1 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.681 1.371 25627
514 1 1 . 1 1 86 86 TYR H H 86 8.077 8.077 8.790 -0.713 25627
515 1 1 . 1 1 87 87 VAL N N 87 123.680 123.680 118.826 4.854 25627
516 1 1 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.581 -0.385 25627
517 1 1 . 1 1 87 87 VAL C C 87 174.322 174.322 174.969 -0.647 25627
518 1 1 . 1 1 87 87 VAL CA C 87 61.901 61.901 60.064 1.837 25627
519 1 1 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.481 0.298 25627
520 1 1 . 1 1 87 87 VAL H H 87 8.133 8.133 8.928 -0.795 25627
521 1 2 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.833 -0.703 25627
522 1 2 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 56.312 -1.463 25627
523 1 2 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 31.064 0.609 25627
524 1 2 . 1 1 0 0 MET N N 0 120.413 120.413 122.786 -2.373 25627
525 1 2 . 1 1 0 0 MET HA H 0 4.350 4.350 4.732 -0.382 25627
526 1 2 . 1 1 0 0 MET C C 0 175.829 175.829 175.599 0.230 25627
527 1 2 . 1 1 0 0 MET CA C 0 55.134 55.134 54.897 0.237 25627
528 1 2 . 1 1 0 0 MET CB C 0 32.391 32.391 34.849 -2.458 25627
529 1 2 . 1 1 0 0 MET H H 0 8.332 8.332 8.470 -0.138 25627
530 1 2 . 1 1 1 1 MET N N 1 121.120 121.120 122.887 -1.767 25627
531 1 2 . 1 1 1 1 MET HA H 1 4.443 4.443 4.640 -0.197 25627
532 1 2 . 1 1 1 1 MET C C 1 175.772 175.772 176.570 -0.798 25627
533 1 2 . 1 1 1 1 MET CA C 1 55.446 55.446 54.585 0.861 25627
534 1 2 . 1 1 1 1 MET CB C 1 32.774 32.774 32.571 0.203 25627
535 1 2 . 1 1 1 1 MET H H 1 8.287 8.287 8.491 -0.204 25627
536 1 2 . 1 1 2 2 ALA N N 2 125.673 125.673 127.977 -2.304 25627
537 1 2 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.357 0.010 25627
538 1 2 . 1 1 2 2 ALA C C 2 177.821 177.821 178.515 -0.694 25627
539 1 2 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.135 0.434 25627
540 1 2 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.350 -0.113 25627
541 1 2 . 1 1 2 2 ALA H H 2 8.373 8.373 8.393 -0.020 25627
542 1 2 . 1 1 3 3 THR N N 3 113.038 113.038 115.781 -2.743 25627
543 1 2 . 1 1 3 3 THR HA H 3 4.354 4.354 4.176 0.178 25627
544 1 2 . 1 1 3 3 THR C C 3 174.577 174.577 175.247 -0.670 25627
545 1 2 . 1 1 3 3 THR CA C 3 61.679 61.679 62.955 -1.276 25627
546 1 2 . 1 1 3 3 THR CB C 3 69.864 69.864 68.945 0.919 25627
547 1 2 . 1 1 3 3 THR H H 3 8.099 8.099 8.179 -0.080 25627
548 1 2 . 1 1 4 4 SER N N 4 117.235 117.235 115.718 1.517 25627
549 1 2 . 1 1 4 4 SER HA H 4 4.440 4.440 4.319 0.121 25627
550 1 2 . 1 1 4 4 SER C C 4 173.887 173.887 173.384 0.503 25627
551 1 2 . 1 1 4 4 SER CA C 4 58.314 58.314 58.859 -0.546 25627
552 1 2 . 1 1 4 4 SER CB C 4 63.951 63.951 63.057 0.894 25627
553 1 2 . 1 1 4 4 SER H H 4 8.238 8.238 8.160 0.078 25627
554 1 2 . 1 1 5 5 ASP N N 5 122.543 122.543 119.172 3.371 25627
555 1 2 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.523 0.060 25627
556 1 2 . 1 1 5 5 ASP C C 5 175.690 175.690 176.191 -0.501 25627
557 1 2 . 1 1 5 5 ASP CA C 5 54.146 54.146 54.246 -0.100 25627
558 1 2 . 1 1 5 5 ASP CB C 5 41.166 41.166 41.445 -0.279 25627
559 1 2 . 1 1 5 5 ASP H H 5 8.321 8.321 7.823 0.498 25627
560 1 2 . 1 1 6 6 VAL N N 6 121.235 121.235 122.798 -1.563 25627
561 1 2 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.192 -0.094 25627
562 1 2 . 1 1 6 6 VAL C C 6 175.211 175.211 175.470 -0.259 25627
563 1 2 . 1 1 6 6 VAL CA C 6 62.322 62.322 62.200 0.122 25627
564 1 2 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.443 0.138 25627
565 1 2 . 1 1 6 6 VAL H H 6 7.942 7.942 8.279 -0.337 25627
566 1 2 . 1 1 7 7 LYS N N 7 125.356 125.356 128.835 -3.479 25627
567 1 2 . 1 1 7 7 LYS CA C 7 53.311 53.311 53.826 -0.515 25627
568 1 2 . 1 1 7 7 LYS CB C 7 33.494 33.494 32.911 0.583 25627
569 1 2 . 1 1 7 7 LYS H H 7 8.383 8.383 8.525 -0.142 25627
570 1 2 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.642 -0.683 25627
571 1 2 . 1 1 8 8 PRO C C 8 176.346 176.346 176.186 0.160 25627
572 1 2 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.140 -0.147 25627
573 1 2 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.320 -0.317 25627
574 1 2 . 1 1 9 9 LYS N N 9 122.609 122.609 120.739 1.870 25627
575 1 2 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.427 -0.140 25627
576 1 2 . 1 1 9 9 LYS C C 9 177.164 177.164 176.969 0.195 25627
577 1 2 . 1 1 9 9 LYS CA C 9 57.222 57.222 56.932 0.290 25627
578 1 2 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.648 0.314 25627
579 1 2 . 1 1 9 9 LYS H H 9 9.393 9.393 8.764 0.629 25627
580 1 2 . 1 1 10 10 SER N N 10 111.655 111.655 113.401 -1.746 25627
581 1 2 . 1 1 10 10 SER HA H 10 4.563 4.563 4.710 -0.147 25627
582 1 2 . 1 1 10 10 SER C C 10 171.697 171.697 172.148 -0.451 25627
583 1 2 . 1 1 10 10 SER CA C 10 57.614 57.614 58.215 -0.601 25627
584 1 2 . 1 1 10 10 SER CB C 10 64.687 64.687 66.064 -1.377 25627
585 1 2 . 1 1 10 10 SER H H 10 7.846 7.846 7.789 0.057 25627
586 1 2 . 1 1 11 11 ILE N N 11 121.054 121.054 119.988 1.066 25627
587 1 2 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.709 -0.178 25627
588 1 2 . 1 1 11 11 ILE C C 11 175.460 175.460 175.210 0.250 25627
589 1 2 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.978 -0.184 25627
590 1 2 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.925 -0.820 25627
591 1 2 . 1 1 11 11 ILE H H 11 8.128 8.128 8.442 -0.314 25627
592 1 2 . 1 1 12 12 SER N N 12 122.340 122.340 120.761 1.579 25627
593 1 2 . 1 1 12 12 SER HA H 12 4.757 4.757 4.901 -0.144 25627
594 1 2 . 1 1 12 12 SER C C 12 172.771 172.771 173.033 -0.262 25627
595 1 2 . 1 1 12 12 SER CA C 12 56.498 56.498 55.950 0.548 25627
596 1 2 . 1 1 12 12 SER CB C 12 65.418 65.418 65.334 0.084 25627
597 1 2 . 1 1 12 12 SER H H 12 8.782 8.782 9.209 -0.427 25627
598 1 2 . 1 1 13 13 ARG N N 13 119.603 119.603 119.451 0.152 25627
599 1 2 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.592 0.284 25627
600 1 2 . 1 1 13 13 ARG C C 13 176.720 176.720 175.276 1.444 25627
601 1 2 . 1 1 13 13 ARG CA C 13 54.308 54.308 55.307 -0.999 25627
602 1 2 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.910 -0.156 25627
603 1 2 . 1 1 13 13 ARG H H 13 8.374 8.374 8.512 -0.138 25627
604 1 2 . 1 1 14 14 ALA N N 14 127.004 127.004 127.722 -0.718 25627
605 1 2 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.236 -0.126 25627
606 1 2 . 1 1 14 14 ALA C C 14 176.523 176.523 177.063 -0.540 25627
607 1 2 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.318 0.224 25627
608 1 2 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.840 0.247 25627
609 1 2 . 1 1 14 14 ALA H H 14 8.725 8.725 8.360 0.365 25627
610 1 2 . 1 1 15 15 LYS N N 15 117.157 117.157 120.079 -2.922 25627
611 1 2 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.174 0.198 25627
612 1 2 . 1 1 15 15 LYS C C 15 176.383 176.383 176.577 -0.194 25627
613 1 2 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.449 -0.823 25627
614 1 2 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.053 1.557 25627
615 1 2 . 1 1 15 15 LYS H H 15 8.518 8.518 8.521 -0.003 25627
616 1 2 . 1 1 16 16 LYS N N 16 116.265 116.265 118.143 -1.878 25627
617 1 2 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.461 0.114 25627
618 1 2 . 1 1 16 16 LYS C C 16 174.584 174.584 175.113 -0.529 25627
619 1 2 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.597 0.097 25627
620 1 2 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.538 1.065 25627
621 1 2 . 1 1 16 16 LYS H H 16 7.429 7.429 7.395 0.034 25627
622 1 2 . 1 1 17 17 TRP N N 17 123.638 123.638 126.777 -3.139 25627
623 1 2 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.491 -0.706 25627
624 1 2 . 1 1 17 17 TRP C C 17 174.781 174.781 174.899 -0.118 25627
625 1 2 . 1 1 17 17 TRP CA C 17 61.877 61.877 59.734 2.143 25627
626 1 2 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.805 -0.884 25627
627 1 2 . 1 1 17 17 TRP H H 17 9.412 9.412 8.401 1.011 25627
628 1 2 . 1 1 18 18 SER N N 18 119.926 119.926 119.914 0.012 25627
629 1 2 . 1 1 18 18 SER HA H 18 3.831 3.831 3.790 0.041 25627
630 1 2 . 1 1 18 18 SER C C 18 172.100 172.100 174.401 -2.301 25627
631 1 2 . 1 1 18 18 SER CA C 18 56.830 56.830 56.207 0.623 25627
632 1 2 . 1 1 18 18 SER CB C 18 66.241 66.241 65.132 1.109 25627
633 1 2 . 1 1 18 18 SER H H 18 6.081 6.081 7.356 -1.275 25627
634 1 2 . 1 1 19 19 GLU N N 19 120.673 120.673 124.270 -3.597 25627
635 1 2 . 1 1 19 19 GLU HA H 19 3.647 3.647 4.059 -0.412 25627
636 1 2 . 1 1 19 19 GLU C C 19 177.682 177.682 177.551 0.131 25627
637 1 2 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.567 1.012 25627
638 1 2 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.293 -0.670 25627
639 1 2 . 1 1 19 19 GLU H H 19 9.355 9.355 8.643 0.712 25627
640 1 2 . 1 1 20 20 GLU N N 20 117.979 117.979 119.165 -1.186 25627
641 1 2 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.125 0.099 25627
642 1 2 . 1 1 20 20 GLU C C 20 179.454 179.454 178.797 0.657 25627
643 1 2 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.873 0.378 25627
644 1 2 . 1 1 20 20 GLU CB C 20 29.715 29.715 28.987 0.728 25627
645 1 2 . 1 1 20 20 GLU H H 20 7.946 7.946 8.050 -0.104 25627
646 1 2 . 1 1 21 21 ILE N N 21 121.560 121.560 120.278 1.282 25627
647 1 2 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.825 -0.048 25627
648 1 2 . 1 1 21 21 ILE C C 21 176.700 176.700 177.955 -1.255 25627
649 1 2 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.886 -0.908 25627
650 1 2 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.324 -0.230 25627
651 1 2 . 1 1 21 21 ILE H H 21 7.122 7.122 7.657 -0.535 25627
652 1 2 . 1 1 22 22 GLU N N 22 121.372 121.372 120.966 0.406 25627
653 1 2 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.951 0.048 25627
654 1 2 . 1 1 22 22 GLU C C 22 178.416 178.416 178.631 -0.215 25627
655 1 2 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.379 -1.361 25627
656 1 2 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.265 -1.113 25627
657 1 2 . 1 1 22 22 GLU H H 22 8.017 8.017 8.485 -0.468 25627
658 1 2 . 1 1 23 23 ASN N N 23 114.717 114.717 118.069 -3.352 25627
659 1 2 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.644 0.093 25627
660 1 2 . 1 1 23 23 ASN C C 23 177.565 177.565 178.004 -0.439 25627
661 1 2 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.632 -0.268 25627
662 1 2 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.403 0.403 25627
663 1 2 . 1 1 23 23 ASN H H 23 7.352 7.352 7.859 -0.507 25627
664 1 2 . 1 1 24 24 LEU N N 24 122.083 122.083 120.782 1.301 25627
665 1 2 . 1 1 24 24 LEU HA H 24 4.403 4.403 4.025 0.378 25627
666 1 2 . 1 1 24 24 LEU C C 24 178.487 178.487 179.144 -0.657 25627
667 1 2 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.320 1.177 25627
668 1 2 . 1 1 24 24 LEU CB C 24 42.235 42.235 40.891 1.344 25627
669 1 2 . 1 1 24 24 LEU H H 24 8.232 8.232 7.596 0.636 25627
670 1 2 . 1 1 25 25 TYR N N 25 118.898 118.898 119.750 -0.852 25627
671 1 2 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.127 -0.052 25627
672 1 2 . 1 1 25 25 TYR C C 25 177.164 177.164 177.842 -0.678 25627
673 1 2 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.297 0.244 25627
674 1 2 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.168 -0.634 25627
675 1 2 . 1 1 25 25 TYR H H 25 9.056 9.056 8.687 0.369 25627
676 1 2 . 1 1 26 26 ARG N N 26 119.000 119.000 118.890 0.110 25627
677 1 2 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.436 -0.078 25627
678 1 2 . 1 1 26 26 ARG C C 26 179.709 179.709 178.935 0.774 25627
679 1 2 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.310 0.959 25627
680 1 2 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.568 -0.974 25627
681 1 2 . 1 1 26 26 ARG H H 26 7.672 7.672 8.113 -0.441 25627
682 1 2 . 1 1 27 27 PHE N N 27 119.640 119.640 120.111 -0.471 25627
683 1 2 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.147 -0.277 25627
684 1 2 . 1 1 27 27 PHE C C 27 178.542 178.542 177.772 0.770 25627
685 1 2 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.589 1.843 25627
686 1 2 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.606 -0.646 25627
687 1 2 . 1 1 27 27 PHE H H 27 8.497 8.497 8.870 -0.373 25627
688 1 2 . 1 1 28 28 GLN N N 28 120.400 120.400 119.118 1.282 25627
689 1 2 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.111 0.614 25627
690 1 2 . 1 1 28 28 GLN C C 28 182.258 182.258 178.533 3.725 25627
691 1 2 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.681 0.282 25627
692 1 2 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.616 -1.855 25627
693 1 2 . 1 1 28 28 GLN H H 28 8.995 8.995 8.612 0.383 25627
694 1 2 . 1 1 29 29 GLN N N 29 122.649 122.649 117.384 5.265 25627
695 1 2 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.867 0.089 25627
696 1 2 . 1 1 29 29 GLN C C 29 177.046 177.046 178.168 -1.122 25627
697 1 2 . 1 1 29 29 GLN CA C 29 58.229 58.229 57.886 0.343 25627
698 1 2 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.023 1.188 25627
699 1 2 . 1 1 29 29 GLN H H 29 8.728 8.728 7.997 0.731 25627
700 1 2 . 1 1 30 30 ALA N N 30 117.672 117.672 117.593 0.079 25627
701 1 2 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.872 0.257 25627
702 1 2 . 1 1 30 30 ALA C C 30 175.371 175.371 176.691 -1.320 25627
703 1 2 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.907 -0.695 25627
704 1 2 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.742 0.454 25627
705 1 2 . 1 1 30 30 ALA H H 30 7.120 7.120 7.490 -0.370 25627
706 1 2 . 1 1 31 31 GLY N N 31 103.200 103.200 102.274 0.926 25627
707 1 2 . 1 1 31 31 GLY C C 31 173.625 173.625 173.425 0.200 25627
708 1 2 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.687 0.621 25627
709 1 2 . 1 1 31 31 GLY H H 31 7.474 7.474 7.382 0.092 25627
710 1 2 . 1 1 32 32 TYR N N 32 121.303 121.303 120.319 0.984 25627
711 1 2 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.939 -0.002 25627
712 1 2 . 1 1 32 32 TYR C C 32 174.419 174.419 175.773 -1.354 25627
713 1 2 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.346 0.866 25627
714 1 2 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.225 2.188 25627
715 1 2 . 1 1 32 32 TYR H H 32 8.403 8.403 7.882 0.521 25627
716 1 2 . 1 1 33 33 ARG N N 33 118.245 118.245 119.852 -1.607 25627
717 1 2 . 1 1 33 33 ARG HA H 33 3.951 3.951 4.013 -0.062 25627
718 1 2 . 1 1 33 33 ARG C C 33 175.618 175.618 175.160 0.458 25627
719 1 2 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.360 3.214 25627
720 1 2 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.685 1.300 25627
721 1 2 . 1 1 33 33 ARG H H 33 9.571 9.571 8.725 0.846 25627
722 1 2 . 1 1 34 34 ASP N N 34 105.630 105.630 115.064 -9.434 25627
723 1 2 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.323 -0.500 25627
724 1 2 . 1 1 34 34 ASP C C 34 174.754 174.754 175.400 -0.646 25627
725 1 2 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.934 -0.669 25627
726 1 2 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.230 -2.411 25627
727 1 2 . 1 1 34 34 ASP H H 34 6.995 6.995 7.452 -0.457 25627
728 1 2 . 1 1 35 35 GLU N N 35 118.215 118.215 119.636 -1.421 25627
729 1 2 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.600 -0.697 25627
730 1 2 . 1 1 35 35 GLU C C 35 177.043 177.043 178.378 -1.335 25627
731 1 2 . 1 1 35 35 GLU CA C 35 58.601 58.601 58.845 -0.244 25627
732 1 2 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.136 0.978 25627
733 1 2 . 1 1 35 35 GLU H H 35 7.818 7.818 8.280 -0.462 25627
734 1 2 . 1 1 36 36 ILE N N 36 118.404 118.404 120.630 -2.226 25627
735 1 2 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.524 -0.103 25627
736 1 2 . 1 1 36 36 ILE C C 36 179.143 179.143 177.988 1.155 25627
737 1 2 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.661 -1.201 25627
738 1 2 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.775 -1.273 25627
739 1 2 . 1 1 36 36 ILE H H 36 6.833 6.833 8.973 -2.140 25627
740 1 2 . 1 1 37 37 GLU N N 37 120.573 120.573 119.763 0.810 25627
741 1 2 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.204 -0.198 25627
742 1 2 . 1 1 37 37 GLU C C 37 178.417 178.417 178.351 0.066 25627
743 1 2 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.632 0.792 25627
744 1 2 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.179 0.719 25627
745 1 2 . 1 1 37 37 GLU H H 37 8.463 8.463 7.836 0.627 25627
746 1 2 . 1 1 38 38 TYR N N 38 117.942 117.942 120.858 -2.916 25627
747 1 2 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.090 0.393 25627
748 1 2 . 1 1 38 38 TYR C C 38 176.772 176.772 177.361 -0.589 25627
749 1 2 . 1 1 38 38 TYR CA C 38 62.767 62.767 60.956 1.811 25627
750 1 2 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.303 1.676 25627
751 1 2 . 1 1 38 38 TYR H H 38 7.949 7.949 7.699 0.250 25627
752 1 2 . 1 1 39 39 LYS N N 39 115.539 115.539 117.841 -2.302 25627
753 1 2 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.474 0.174 25627
754 1 2 . 1 1 39 39 LYS C C 39 179.543 179.543 179.088 0.455 25627
755 1 2 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.785 0.862 25627
756 1 2 . 1 1 39 39 LYS CB C 39 32.223 32.223 32.011 0.212 25627
757 1 2 . 1 1 39 39 LYS H H 39 8.287 8.287 8.193 0.094 25627
758 1 2 . 1 1 40 40 GLN N N 40 118.265 118.265 118.262 0.003 25627
759 1 2 . 1 1 40 40 GLN HA H 40 4.011 4.011 3.933 0.078 25627
760 1 2 . 1 1 40 40 GLN C C 40 178.263 178.263 177.837 0.426 25627
761 1 2 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.624 0.129 25627
762 1 2 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.629 -0.053 25627
763 1 2 . 1 1 40 40 GLN H H 40 7.605 7.605 7.405 0.200 25627
764 1 2 . 1 1 41 41 VAL N N 41 118.627 118.627 119.326 -0.699 25627
765 1 2 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.724 0.038 25627
766 1 2 . 1 1 41 41 VAL C C 41 178.092 178.092 177.436 0.656 25627
767 1 2 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.307 0.402 25627
768 1 2 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.773 0.869 25627
769 1 2 . 1 1 41 41 VAL H H 41 8.470 8.470 7.561 0.909 25627
770 1 2 . 1 1 42 42 LYS N N 42 115.117 115.117 116.440 -1.323 25627
771 1 2 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.287 -0.037 25627
772 1 2 . 1 1 42 42 LYS C C 42 176.102 176.102 175.757 0.345 25627
773 1 2 . 1 1 42 42 LYS CA C 42 53.901 53.901 55.188 -1.287 25627
774 1 2 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.379 -1.214 25627
775 1 2 . 1 1 42 42 LYS H H 42 8.263 8.263 7.452 0.811 25627
776 1 2 . 1 1 43 43 GLN N N 43 116.108 116.108 116.400 -0.292 25627
777 1 2 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.920 0.048 25627
778 1 2 . 1 1 43 43 GLN C C 43 175.125 175.125 175.074 0.051 25627
779 1 2 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.476 0.079 25627
780 1 2 . 1 1 43 43 GLN CB C 43 25.912 25.912 26.347 -0.435 25627
781 1 2 . 1 1 43 43 GLN H H 43 7.717 7.717 7.798 -0.081 25627
782 1 2 . 1 1 44 44 VAL N N 44 110.285 110.285 114.119 -3.834 25627
783 1 2 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.424 0.134 25627
784 1 2 . 1 1 44 44 VAL C C 44 175.431 175.431 174.085 1.346 25627
785 1 2 . 1 1 44 44 VAL CA C 44 59.240 59.240 58.991 0.249 25627
786 1 2 . 1 1 44 44 VAL CB C 44 34.732 34.732 34.351 0.381 25627
787 1 2 . 1 1 44 44 VAL H H 44 6.817 6.817 7.591 -0.774 25627
788 1 2 . 1 1 45 45 ALA N N 45 123.422 123.422 121.859 1.563 25627
789 1 2 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.580 -0.225 25627
790 1 2 . 1 1 45 45 ALA C C 45 177.543 177.543 176.593 0.950 25627
791 1 2 . 1 1 45 45 ALA CA C 45 52.821 52.821 51.885 0.936 25627
792 1 2 . 1 1 45 45 ALA CB C 45 19.812 19.812 18.993 0.819 25627
793 1 2 . 1 1 45 45 ALA H H 45 8.571 8.571 8.180 0.391 25627
794 1 2 . 1 1 46 46 MET N N 46 114.808 114.808 119.274 -4.466 25627
795 1 2 . 1 1 46 46 MET HA H 46 4.724 4.724 4.668 0.056 25627
796 1 2 . 1 1 46 46 MET C C 46 173.698 173.698 174.220 -0.522 25627
797 1 2 . 1 1 46 46 MET CA C 46 54.230 54.230 55.067 -0.837 25627
798 1 2 . 1 1 46 46 MET CB C 46 34.793 34.793 36.325 -1.532 25627
799 1 2 . 1 1 46 46 MET H H 46 7.657 7.657 7.743 -0.086 25627
800 1 2 . 1 1 47 47 VAL N N 47 120.757 120.757 122.016 -1.259 25627
801 1 2 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.431 -0.152 25627
802 1 2 . 1 1 47 47 VAL C C 47 174.985 174.985 174.860 0.125 25627
803 1 2 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.166 -0.130 25627
804 1 2 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.870 -0.043 25627
805 1 2 . 1 1 47 47 VAL H H 47 8.459 8.459 8.506 -0.047 25627
806 1 2 . 1 1 48 48 ASP N N 48 126.251 126.251 127.076 -0.825 25627
807 1 2 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.546 -0.073 25627
808 1 2 . 1 1 48 48 ASP C C 48 175.819 175.819 175.176 0.643 25627
809 1 2 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.289 1.183 25627
810 1 2 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.253 0.881 25627
811 1 2 . 1 1 48 48 ASP H H 48 8.929 8.929 8.646 0.283 25627
812 1 2 . 1 1 49 49 ARG N N 49 122.995 122.995 122.384 0.611 25627
813 1 2 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.365 -0.606 25627
814 1 2 . 1 1 49 49 ARG C C 49 176.363 176.363 175.318 1.045 25627
815 1 2 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.286 0.328 25627
816 1 2 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.402 0.068 25627
817 1 2 . 1 1 49 49 ARG H H 49 8.534 8.534 8.078 0.456 25627
818 1 2 . 1 1 50 50 TRP N N 50 125.191 125.191 121.436 3.755 25627
819 1 2 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.146 -0.482 25627
820 1 2 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.661 -0.066 25627
821 1 2 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.609 -0.496 25627
822 1 2 . 1 1 50 50 TRP H H 50 9.111 9.111 8.435 0.676 25627
823 1 2 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.251 0.094 25627
824 1 2 . 1 1 51 51 PRO C C 51 178.698 178.698 177.432 1.266 25627
825 1 2 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.317 -0.743 25627
826 1 2 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.073 0.090 25627
827 1 2 . 1 1 52 52 GLU N N 52 116.570 116.570 118.478 -1.908 25627
828 1 2 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.167 -0.197 25627
829 1 2 . 1 1 52 52 GLU C C 52 178.031 178.031 177.880 0.151 25627
830 1 2 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.749 2.009 25627
831 1 2 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.652 -0.038 25627
832 1 2 . 1 1 52 52 GLU H H 52 9.951 9.951 8.862 1.089 25627
833 1 2 . 1 1 53 53 THR N N 53 103.788 103.788 107.637 -3.849 25627
834 1 2 . 1 1 53 53 THR HA H 53 4.135 4.135 4.283 -0.148 25627
835 1 2 . 1 1 53 53 THR C C 53 175.731 175.731 175.335 0.396 25627
836 1 2 . 1 1 53 53 THR CA C 53 60.427 60.427 62.258 -1.831 25627
837 1 2 . 1 1 53 53 THR CB C 53 70.762 70.762 71.329 -0.566 25627
838 1 2 . 1 1 53 53 THR H H 53 7.120 7.120 7.621 -0.501 25627
839 1 2 . 1 1 54 54 GLY N N 54 109.195 109.195 111.536 -2.341 25627
840 1 2 . 1 1 54 54 GLY C C 54 174.593 174.593 173.379 1.214 25627
841 1 2 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.023 0.725 25627
842 1 2 . 1 1 54 54 GLY H H 54 8.227 8.227 8.334 -0.107 25627
843 1 2 . 1 1 55 55 TYR N N 55 119.038 119.038 119.393 -0.355 25627
844 1 2 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.604 1.101 25627
845 1 2 . 1 1 55 55 TYR C C 55 177.556 177.556 176.208 1.348 25627
846 1 2 . 1 1 55 55 TYR CA C 55 53.730 53.730 56.942 -3.212 25627
847 1 2 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.103 -0.362 25627
848 1 2 . 1 1 55 55 TYR H H 55 7.353 7.353 7.364 -0.011 25627
849 1 2 . 1 1 56 56 VAL N N 56 120.089 120.089 121.226 -1.137 25627
850 1 2 . 1 1 56 56 VAL HA H 56 3.613 3.613 3.963 -0.350 25627
851 1 2 . 1 1 56 56 VAL C C 56 174.564 174.564 176.628 -2.064 25627
852 1 2 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.388 0.379 25627
853 1 2 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.614 1.153 25627
854 1 2 . 1 1 56 56 VAL H H 56 8.252 8.252 8.934 -0.682 25627
855 1 2 . 1 1 57 57 LYS N N 57 127.233 127.233 128.662 -1.429 25627
856 1 2 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.733 -0.285 25627
857 1 2 . 1 1 57 57 LYS C C 57 175.256 175.256 176.324 -1.068 25627
858 1 2 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.201 -1.218 25627
859 1 2 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.689 1.561 25627
860 1 2 . 1 1 57 57 LYS H H 57 9.005 9.005 9.166 -0.161 25627
861 1 2 . 1 1 58 58 LYS N N 58 115.918 115.918 114.701 1.217 25627
862 1 2 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.138 0.232 25627
863 1 2 . 1 1 58 58 LYS C C 58 174.030 174.030 175.036 -1.006 25627
864 1 2 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.152 -0.298 25627
865 1 2 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.251 -0.428 25627
866 1 2 . 1 1 58 58 LYS H H 58 6.921 6.921 7.499 -0.578 25627
867 1 2 . 1 1 59 59 LEU N N 59 121.666 121.666 122.035 -0.369 25627
868 1 2 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.536 0.113 25627
869 1 2 . 1 1 59 59 LEU C C 59 174.451 174.451 174.828 -0.377 25627
870 1 2 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.114 -0.642 25627
871 1 2 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.307 0.632 25627
872 1 2 . 1 1 59 59 LEU H H 59 8.793 8.793 9.087 -0.294 25627
873 1 2 . 1 1 60 60 GLN N N 60 121.710 121.710 123.574 -1.864 25627
874 1 2 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.198 0.238 25627
875 1 2 . 1 1 60 60 GLN C C 60 176.636 176.636 175.384 1.252 25627
876 1 2 . 1 1 60 60 GLN CA C 60 54.917 54.917 56.024 -1.107 25627
877 1 2 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.549 0.787 25627
878 1 2 . 1 1 60 60 GLN H H 60 8.879 8.879 8.686 0.193 25627
879 1 2 . 1 1 61 61 ARG N N 61 126.172 126.172 124.638 1.534 25627
880 1 2 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.448 0.095 25627
881 1 2 . 1 1 61 61 ARG C C 61 178.315 178.315 177.866 0.449 25627
882 1 2 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.064 2.509 25627
883 1 2 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.890 1.011 25627
884 1 2 . 1 1 61 61 ARG H H 61 9.387 9.387 8.644 0.743 25627
885 1 2 . 1 1 62 62 ARG N N 62 123.754 123.754 120.033 3.721 25627
886 1 2 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.076 -0.208 25627
887 1 2 . 1 1 62 62 ARG C C 62 176.508 176.508 176.319 0.189 25627
888 1 2 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.203 1.660 25627
889 1 2 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.872 -0.408 25627
890 1 2 . 1 1 62 62 ARG H H 62 9.385 9.385 8.192 1.193 25627
891 1 2 . 1 1 63 63 ASP N N 63 116.155 116.155 117.244 -1.089 25627
892 1 2 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.706 -0.275 25627
893 1 2 . 1 1 63 63 ASP C C 63 176.163 176.163 175.554 0.609 25627
894 1 2 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.783 -0.597 25627
895 1 2 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.236 -0.480 25627
896 1 2 . 1 1 63 63 ASP H H 63 7.505 7.505 8.060 -0.555 25627
897 1 2 . 1 1 64 64 ASN N N 64 110.183 110.183 112.313 -2.130 25627
898 1 2 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.286 -0.199 25627
899 1 2 . 1 1 64 64 ASN C C 64 175.432 175.432 173.625 1.807 25627
900 1 2 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.477 0.952 25627
901 1 2 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.528 -0.494 25627
902 1 2 . 1 1 64 64 ASN H H 64 7.791 7.791 8.441 -0.650 25627
903 1 2 . 1 1 65 65 THR N N 65 112.736 112.736 111.510 1.226 25627
904 1 2 . 1 1 65 65 THR HA H 65 4.414 4.414 4.391 0.023 25627
905 1 2 . 1 1 65 65 THR C C 65 173.653 173.653 174.136 -0.483 25627
906 1 2 . 1 1 65 65 THR CA C 65 62.342 62.342 61.686 0.656 25627
907 1 2 . 1 1 65 65 THR CB C 65 70.946 70.946 68.944 2.002 25627
908 1 2 . 1 1 65 65 THR H H 65 7.921 7.921 7.538 0.383 25627
909 1 2 . 1 1 66 66 PHE N N 66 118.850 118.850 125.559 -6.709 25627
910 1 2 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.319 0.825 25627
911 1 2 . 1 1 66 66 PHE C C 66 174.762 174.762 175.234 -0.472 25627
912 1 2 . 1 1 66 66 PHE CA C 66 58.479 58.479 59.343 -0.864 25627
913 1 2 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.600 2.663 25627
914 1 2 . 1 1 66 66 PHE H H 66 8.926 8.926 8.911 0.015 25627
915 1 2 . 1 1 67 67 PHE N N 67 124.259 124.259 126.584 -2.325 25627
916 1 2 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.747 -0.083 25627
917 1 2 . 1 1 67 67 PHE C C 67 173.553 173.553 173.175 0.378 25627
918 1 2 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.246 -0.342 25627
919 1 2 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.027 0.310 25627
920 1 2 . 1 1 67 67 PHE H H 67 9.142 9.142 8.858 0.284 25627
921 1 2 . 1 1 68 68 TYR N N 68 122.881 122.881 126.764 -3.883 25627
922 1 2 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.455 0.416 25627
923 1 2 . 1 1 68 68 TYR C C 68 174.835 174.835 175.104 -0.269 25627
924 1 2 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.732 -1.339 25627
925 1 2 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.968 1.221 25627
926 1 2 . 1 1 68 68 TYR H H 68 8.064 8.064 8.159 -0.095 25627
927 1 2 . 1 1 69 69 TYR N N 69 118.675 118.675 123.728 -5.053 25627
928 1 2 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.779 0.246 25627
929 1 2 . 1 1 69 69 TYR C C 69 177.181 177.181 175.163 2.018 25627
930 1 2 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.149 -0.237 25627
931 1 2 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.719 1.704 25627
932 1 2 . 1 1 69 69 TYR H H 69 8.384 8.384 8.810 -0.426 25627
933 1 2 . 1 1 70 70 ASN N N 70 122.917 122.917 120.092 2.825 25627
934 1 2 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.848 -0.053 25627
935 1 2 . 1 1 70 70 ASN C C 70 175.433 175.433 176.045 -0.612 25627
936 1 2 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.384 0.975 25627
937 1 2 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.436 -0.059 25627
938 1 2 . 1 1 70 70 ASN H H 70 9.832 9.832 8.776 1.056 25627
939 1 2 . 1 1 71 71 LYS N N 71 123.116 123.116 122.597 0.519 25627
940 1 2 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.248 -2.009 25627
941 1 2 . 1 1 71 71 LYS C C 71 175.495 175.495 177.551 -2.056 25627
942 1 2 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.298 0.123 25627
943 1 2 . 1 1 71 71 LYS CB C 71 32.077 32.077 31.991 0.086 25627
944 1 2 . 1 1 71 71 LYS H H 71 8.047 8.047 8.682 -0.635 25627
945 1 2 . 1 1 72 72 GLU N N 72 113.242 113.242 120.216 -6.974 25627
946 1 2 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.347 0.031 25627
947 1 2 . 1 1 72 72 GLU C C 72 175.018 175.018 176.255 -1.237 25627
948 1 2 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.397 -0.590 25627
949 1 2 . 1 1 72 72 GLU CB C 72 30.432 30.432 28.110 2.322 25627
950 1 2 . 1 1 72 72 GLU H H 72 7.335 7.335 8.410 -1.075 25627
951 1 2 . 1 1 73 73 ARG N N 73 118.120 118.120 120.932 -2.812 25627
952 1 2 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.900 -0.546 25627
953 1 2 . 1 1 73 73 ARG C C 73 175.859 175.859 176.124 -0.265 25627
954 1 2 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.272 0.402 25627
955 1 2 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.088 1.046 25627
956 1 2 . 1 1 73 73 ARG H H 73 8.174 8.174 7.922 0.252 25627
957 1 2 . 1 1 74 74 GLU N N 74 127.360 127.360 124.447 2.913 25627
958 1 2 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.206 0.287 25627
959 1 2 . 1 1 74 74 GLU C C 74 176.415 176.415 175.320 1.095 25627
960 1 2 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.545 1.516 25627
961 1 2 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.422 4.040 25627
962 1 2 . 1 1 74 74 GLU H H 74 10.788 10.788 8.552 2.236 25627
963 1 2 . 1 1 75 75 CYS N N 75 123.441 123.441 119.221 4.220 25627
964 1 2 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.434 -0.958 25627
965 1 2 . 1 1 75 75 CYS C C 75 174.198 174.198 173.679 0.519 25627
966 1 2 . 1 1 75 75 CYS CA C 75 59.022 59.022 58.248 0.774 25627
967 1 2 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.264 -2.042 25627
968 1 2 . 1 1 75 75 CYS H H 75 9.198 9.198 7.409 1.789 25627
969 1 2 . 1 1 76 76 GLU N N 76 131.177 131.177 125.351 5.826 25627
970 1 2 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.305 -0.310 25627
971 1 2 . 1 1 76 76 GLU C C 76 177.122 177.122 175.853 1.269 25627
972 1 2 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.834 1.982 25627
973 1 2 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.611 -1.943 25627
974 1 2 . 1 1 76 76 GLU H H 76 8.452 8.452 8.046 0.406 25627
975 1 2 . 1 1 77 77 ASP N N 77 123.154 123.154 120.922 2.232 25627
976 1 2 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.436 -0.100 25627
977 1 2 . 1 1 77 77 ASP C C 77 179.545 179.545 177.798 1.747 25627
978 1 2 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.307 1.303 25627
979 1 2 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.505 -0.556 25627
980 1 2 . 1 1 77 77 ASP H H 77 9.067 9.067 8.871 0.196 25627
981 1 2 . 1 1 78 78 LYS N N 78 116.055 116.055 118.022 -1.967 25627
982 1 2 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.048 0.250 25627
983 1 2 . 1 1 78 78 LYS C C 78 176.146 176.146 178.972 -2.826 25627
984 1 2 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.416 -0.932 25627
985 1 2 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.058 -0.218 25627
986 1 2 . 1 1 78 78 LYS H H 78 8.664 8.664 8.334 0.330 25627
987 1 2 . 1 1 79 79 GLU N N 79 117.481 117.481 119.303 -1.822 25627
988 1 2 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.201 0.246 25627
989 1 2 . 1 1 79 79 GLU C C 79 177.666 177.666 178.949 -1.283 25627
990 1 2 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.661 -3.056 25627
991 1 2 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.445 1.543 25627
992 1 2 . 1 1 79 79 GLU H H 79 7.735 7.735 8.114 -0.379 25627
993 1 2 . 1 1 80 80 VAL N N 80 121.192 121.192 120.372 0.820 25627
994 1 2 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.659 -0.416 25627
995 1 2 . 1 1 80 80 VAL C C 80 176.731 176.731 178.174 -1.443 25627
996 1 2 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.196 0.679 25627
997 1 2 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.206 0.967 25627
998 1 2 . 1 1 80 80 VAL H H 80 7.274 7.274 7.759 -0.485 25627
999 1 2 . 1 1 81 81 HIS N N 81 112.861 112.861 116.519 -3.658 25627
1000 1 2 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.418 0.230 25627
1001 1 2 . 1 1 81 81 HIS C C 81 175.330 175.330 177.510 -2.180 25627
1002 1 2 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.164 -1.417 25627
1003 1 2 . 1 1 81 81 HIS CB C 81 29.180 29.180 29.754 -0.574 25627
1004 1 2 . 1 1 81 81 HIS H H 81 8.157 8.157 7.775 0.382 25627
1005 1 2 . 1 1 82 82 LYS N N 82 117.850 117.850 118.441 -0.591 25627
1006 1 2 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.269 -0.258 25627
1007 1 2 . 1 1 82 82 LYS C C 82 177.430 177.430 176.711 0.719 25627
1008 1 2 . 1 1 82 82 LYS CA C 82 56.591 56.591 58.418 -1.827 25627
1009 1 2 . 1 1 82 82 LYS CB C 82 33.083 33.083 33.436 -0.353 25627
1010 1 2 . 1 1 82 82 LYS H H 82 7.264 7.264 7.594 -0.330 25627
1011 1 2 . 1 1 83 83 VAL N N 83 123.619 123.619 119.117 4.502 25627
1012 1 2 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.047 -0.167 25627
1013 1 2 . 1 1 83 83 VAL C C 83 175.239 175.239 174.801 0.438 25627
1014 1 2 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.870 0.942 25627
1015 1 2 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.899 -1.351 25627
1016 1 2 . 1 1 83 83 VAL H H 83 8.126 8.126 8.273 -0.147 25627
1017 1 2 . 1 1 84 84 LYS N N 84 128.994 128.994 126.443 2.551 25627
1018 1 2 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.745 -0.292 25627
1019 1 2 . 1 1 84 84 LYS C C 84 174.399 174.399 175.515 -1.116 25627
1020 1 2 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.686 1.131 25627
1021 1 2 . 1 1 84 84 LYS CB C 84 34.106 34.106 35.006 -0.900 25627
1022 1 2 . 1 1 84 84 LYS H H 84 9.031 9.031 8.122 0.909 25627
1023 1 2 . 1 1 85 85 VAL N N 85 120.723 120.723 121.599 -0.876 25627
1024 1 2 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.539 -0.509 25627
1025 1 2 . 1 1 85 85 VAL C C 85 175.482 175.482 175.079 0.403 25627
1026 1 2 . 1 1 85 85 VAL CA C 85 61.642 61.642 60.619 1.023 25627
1027 1 2 . 1 1 85 85 VAL CB C 85 32.488 32.488 34.108 -1.620 25627
1028 1 2 . 1 1 85 85 VAL H H 85 8.299 8.299 9.183 -0.884 25627
1029 1 2 . 1 1 86 86 TYR N N 86 126.214 126.214 128.292 -2.078 25627
1030 1 2 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.963 -0.237 25627
1031 1 2 . 1 1 86 86 TYR C C 86 175.214 175.214 175.000 0.214 25627
1032 1 2 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.550 2.990 25627
1033 1 2 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.110 1.942 25627
1034 1 2 . 1 1 86 86 TYR H H 86 8.077 8.077 8.897 -0.820 25627
1035 1 2 . 1 1 87 87 VAL N N 87 123.680 123.680 119.983 3.697 25627
1036 1 2 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.198 -0.002 25627
1037 1 2 . 1 1 87 87 VAL C C 87 174.322 174.322 173.964 0.358 25627
1038 1 2 . 1 1 87 87 VAL CA C 87 61.901 61.901 60.417 1.484 25627
1039 1 2 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.372 0.407 25627
1040 1 2 . 1 1 87 87 VAL H H 87 8.133 8.133 8.754 -0.621 25627
1041 1 3 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.764 -0.634 25627
1042 1 3 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 56.373 -1.524 25627
1043 1 3 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 30.330 1.343 25627
1044 1 3 . 1 1 0 0 MET N N 0 120.413 120.413 120.181 0.232 25627
1045 1 3 . 1 1 0 0 MET HA H 0 4.350 4.350 4.522 -0.172 25627
1046 1 3 . 1 1 0 0 MET C C 0 175.829 175.829 174.308 1.521 25627
1047 1 3 . 1 1 0 0 MET CA C 0 55.134 55.134 55.991 -0.857 25627
1048 1 3 . 1 1 0 0 MET CB C 0 32.391 32.391 33.182 -0.791 25627
1049 1 3 . 1 1 0 0 MET H H 0 8.332 8.332 7.712 0.620 25627
1050 1 3 . 1 1 1 1 MET N N 1 121.120 121.120 122.760 -1.640 25627
1051 1 3 . 1 1 1 1 MET HA H 1 4.443 4.443 4.803 -0.360 25627
1052 1 3 . 1 1 1 1 MET C C 1 175.772 175.772 175.883 -0.111 25627
1053 1 3 . 1 1 1 1 MET CA C 1 55.446 55.446 54.822 0.624 25627
1054 1 3 . 1 1 1 1 MET CB C 1 32.774 32.774 34.628 -1.854 25627
1055 1 3 . 1 1 1 1 MET H H 1 8.287 8.287 8.045 0.242 25627
1056 1 3 . 1 1 2 2 ALA N N 2 125.673 125.673 126.590 -0.917 25627
1057 1 3 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.395 -0.028 25627
1058 1 3 . 1 1 2 2 ALA C C 2 177.821 177.821 177.143 0.678 25627
1059 1 3 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.267 0.301 25627
1060 1 3 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.395 -0.158 25627
1061 1 3 . 1 1 2 2 ALA H H 2 8.373 8.373 8.371 0.002 25627
1062 1 3 . 1 1 3 3 THR N N 3 113.038 113.038 113.292 -0.254 25627
1063 1 3 . 1 1 3 3 THR HA H 3 4.354 4.354 4.606 -0.252 25627
1064 1 3 . 1 1 3 3 THR C C 3 174.577 174.577 173.371 1.206 25627
1065 1 3 . 1 1 3 3 THR CA C 3 61.679 61.679 61.373 0.306 25627
1066 1 3 . 1 1 3 3 THR CB C 3 69.864 69.864 70.427 -0.563 25627
1067 1 3 . 1 1 3 3 THR H H 3 8.099 8.099 8.008 0.091 25627
1068 1 3 . 1 1 4 4 SER N N 4 117.235 117.235 116.209 1.026 25627
1069 1 3 . 1 1 4 4 SER HA H 4 4.440 4.440 4.691 -0.251 25627
1070 1 3 . 1 1 4 4 SER C C 4 173.887 173.887 172.571 1.316 25627
1071 1 3 . 1 1 4 4 SER CA C 4 58.314 58.314 57.805 0.509 25627
1072 1 3 . 1 1 4 4 SER CB C 4 63.951 63.951 65.657 -1.706 25627
1073 1 3 . 1 1 4 4 SER H H 4 8.238 8.238 8.303 -0.065 25627
1074 1 3 . 1 1 5 5 ASP N N 5 122.543 122.543 121.787 0.756 25627
1075 1 3 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.811 -0.228 25627
1076 1 3 . 1 1 5 5 ASP C C 5 175.690 175.690 175.395 0.295 25627
1077 1 3 . 1 1 5 5 ASP CA C 5 54.146 54.146 54.358 -0.212 25627
1078 1 3 . 1 1 5 5 ASP CB C 5 41.166 41.166 42.447 -1.281 25627
1079 1 3 . 1 1 5 5 ASP H H 5 8.321 8.321 8.493 -0.172 25627
1080 1 3 . 1 1 6 6 VAL N N 6 121.235 121.235 125.163 -3.928 25627
1081 1 3 . 1 1 6 6 VAL HA H 6 4.098 4.098 3.980 0.118 25627
1082 1 3 . 1 1 6 6 VAL C C 6 175.211 175.211 175.923 -0.712 25627
1083 1 3 . 1 1 6 6 VAL CA C 6 62.322 62.322 62.684 -0.362 25627
1084 1 3 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.554 0.027 25627
1085 1 3 . 1 1 6 6 VAL H H 6 7.942 7.942 8.253 -0.311 25627
1086 1 3 . 1 1 7 7 LYS N N 7 125.356 125.356 128.812 -3.456 25627
1087 1 3 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.432 -1.121 25627
1088 1 3 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.556 1.938 25627
1089 1 3 . 1 1 7 7 LYS H H 7 8.383 8.383 8.430 -0.047 25627
1090 1 3 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.610 -0.651 25627
1091 1 3 . 1 1 8 8 PRO C C 8 176.346 176.346 176.256 0.090 25627
1092 1 3 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.014 -0.021 25627
1093 1 3 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.438 -0.435 25627
1094 1 3 . 1 1 9 9 LYS N N 9 122.609 122.609 120.813 1.796 25627
1095 1 3 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.380 -0.093 25627
1096 1 3 . 1 1 9 9 LYS C C 9 177.164 177.164 176.698 0.466 25627
1097 1 3 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.235 -0.013 25627
1098 1 3 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.702 0.260 25627
1099 1 3 . 1 1 9 9 LYS H H 9 9.393 9.393 8.536 0.857 25627
1100 1 3 . 1 1 10 10 SER N N 10 111.655 111.655 112.500 -0.845 25627
1101 1 3 . 1 1 10 10 SER HA H 10 4.563 4.563 4.693 -0.130 25627
1102 1 3 . 1 1 10 10 SER C C 10 171.697 171.697 172.093 -0.396 25627
1103 1 3 . 1 1 10 10 SER CA C 10 57.614 57.614 58.155 -0.541 25627
1104 1 3 . 1 1 10 10 SER CB C 10 64.687 64.687 66.545 -1.858 25627
1105 1 3 . 1 1 10 10 SER H H 10 7.846 7.846 7.782 0.064 25627
1106 1 3 . 1 1 11 11 ILE N N 11 121.054 121.054 120.130 0.924 25627
1107 1 3 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.852 -0.321 25627
1108 1 3 . 1 1 11 11 ILE C C 11 175.460 175.460 175.187 0.273 25627
1109 1 3 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.695 0.099 25627
1110 1 3 . 1 1 11 11 ILE CB C 11 41.105 41.105 40.976 0.129 25627
1111 1 3 . 1 1 11 11 ILE H H 11 8.128 8.128 8.299 -0.171 25627
1112 1 3 . 1 1 12 12 SER N N 12 122.340 122.340 120.360 1.980 25627
1113 1 3 . 1 1 12 12 SER HA H 12 4.757 4.757 4.920 -0.163 25627
1114 1 3 . 1 1 12 12 SER C C 12 172.771 172.771 172.716 0.055 25627
1115 1 3 . 1 1 12 12 SER CA C 12 56.498 56.498 56.191 0.307 25627
1116 1 3 . 1 1 12 12 SER CB C 12 65.418 65.418 65.852 -0.434 25627
1117 1 3 . 1 1 12 12 SER H H 12 8.782 8.782 9.191 -0.409 25627
1118 1 3 . 1 1 13 13 ARG N N 13 119.603 119.603 120.391 -0.788 25627
1119 1 3 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.635 0.241 25627
1120 1 3 . 1 1 13 13 ARG C C 13 176.720 176.720 175.863 0.857 25627
1121 1 3 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.933 -0.625 25627
1122 1 3 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.633 0.121 25627
1123 1 3 . 1 1 13 13 ARG H H 13 8.374 8.374 8.555 -0.181 25627
1124 1 3 . 1 1 14 14 ALA N N 14 127.004 127.004 128.194 -1.190 25627
1125 1 3 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.291 -0.181 25627
1126 1 3 . 1 1 14 14 ALA C C 14 176.523 176.523 177.055 -0.532 25627
1127 1 3 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.117 0.424 25627
1128 1 3 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.689 0.398 25627
1129 1 3 . 1 1 14 14 ALA H H 14 8.725 8.725 8.788 -0.063 25627
1130 1 3 . 1 1 15 15 LYS N N 15 117.157 117.157 120.658 -3.501 25627
1131 1 3 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.274 0.098 25627
1132 1 3 . 1 1 15 15 LYS C C 15 176.383 176.383 177.249 -0.866 25627
1133 1 3 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.585 -0.959 25627
1134 1 3 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.064 1.546 25627
1135 1 3 . 1 1 15 15 LYS H H 15 8.518 8.518 8.662 -0.144 25627
1136 1 3 . 1 1 16 16 LYS N N 16 116.265 116.265 117.705 -1.440 25627
1137 1 3 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.485 0.090 25627
1138 1 3 . 1 1 16 16 LYS C C 16 174.584 174.584 174.980 -0.396 25627
1139 1 3 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.618 0.076 25627
1140 1 3 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.724 0.880 25627
1141 1 3 . 1 1 16 16 LYS H H 16 7.429 7.429 7.473 -0.044 25627
1142 1 3 . 1 1 17 17 TRP N N 17 123.638 123.638 121.388 2.250 25627
1143 1 3 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.671 -0.886 25627
1144 1 3 . 1 1 17 17 TRP C C 17 174.781 174.781 174.779 0.002 25627
1145 1 3 . 1 1 17 17 TRP CA C 17 61.877 61.877 57.728 4.149 25627
1146 1 3 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.658 -0.737 25627
1147 1 3 . 1 1 17 17 TRP H H 17 9.412 9.412 8.628 0.784 25627
1148 1 3 . 1 1 18 18 SER N N 18 119.926 119.926 120.439 -0.513 25627
1149 1 3 . 1 1 18 18 SER HA H 18 3.831 3.831 3.989 -0.158 25627
1150 1 3 . 1 1 18 18 SER C C 18 172.100 172.100 174.033 -1.933 25627
1151 1 3 . 1 1 18 18 SER CA C 18 56.830 56.830 56.082 0.748 25627
1152 1 3 . 1 1 18 18 SER CB C 18 66.241 66.241 66.695 -0.454 25627
1153 1 3 . 1 1 18 18 SER H H 18 6.081 6.081 7.981 -1.900 25627
1154 1 3 . 1 1 19 19 GLU N N 19 120.673 120.673 124.073 -3.400 25627
1155 1 3 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.891 -0.244 25627
1156 1 3 . 1 1 19 19 GLU C C 19 177.682 177.682 178.055 -0.373 25627
1157 1 3 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.979 0.600 25627
1158 1 3 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.745 -1.122 25627
1159 1 3 . 1 1 19 19 GLU H H 19 9.355 9.355 8.696 0.659 25627
1160 1 3 . 1 1 20 20 GLU N N 20 117.979 117.979 117.938 0.041 25627
1161 1 3 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.091 0.133 25627
1162 1 3 . 1 1 20 20 GLU C C 20 179.454 179.454 178.758 0.696 25627
1163 1 3 . 1 1 20 20 GLU CA C 20 59.251 59.251 59.098 0.153 25627
1164 1 3 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.396 0.319 25627
1165 1 3 . 1 1 20 20 GLU H H 20 7.946 7.946 8.489 -0.543 25627
1166 1 3 . 1 1 21 21 ILE N N 21 121.560 121.560 120.278 1.282 25627
1167 1 3 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.835 -0.058 25627
1168 1 3 . 1 1 21 21 ILE C C 21 176.700 176.700 177.813 -1.113 25627
1169 1 3 . 1 1 21 21 ILE CA C 21 61.978 61.978 63.053 -1.075 25627
1170 1 3 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.552 -0.458 25627
1171 1 3 . 1 1 21 21 ILE H H 21 7.122 7.122 8.324 -1.202 25627
1172 1 3 . 1 1 22 22 GLU N N 22 121.372 121.372 120.876 0.496 25627
1173 1 3 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.949 0.050 25627
1174 1 3 . 1 1 22 22 GLU C C 22 178.416 178.416 178.683 -0.267 25627
1175 1 3 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.380 -1.362 25627
1176 1 3 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.313 -1.161 25627
1177 1 3 . 1 1 22 22 GLU H H 22 8.017 8.017 8.040 -0.023 25627
1178 1 3 . 1 1 23 23 ASN N N 23 114.717 114.717 118.265 -3.548 25627
1179 1 3 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.622 0.115 25627
1180 1 3 . 1 1 23 23 ASN C C 23 177.565 177.565 177.971 -0.406 25627
1181 1 3 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.446 -0.082 25627
1182 1 3 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.638 0.168 25627
1183 1 3 . 1 1 23 23 ASN H H 23 7.352 7.352 7.845 -0.493 25627
1184 1 3 . 1 1 24 24 LEU N N 24 122.083 122.083 120.809 1.274 25627
1185 1 3 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.999 0.404 25627
1186 1 3 . 1 1 24 24 LEU C C 24 178.487 178.487 179.179 -0.692 25627
1187 1 3 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.218 1.278 25627
1188 1 3 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.901 0.334 25627
1189 1 3 . 1 1 24 24 LEU H H 24 8.232 8.232 7.896 0.336 25627
1190 1 3 . 1 1 25 25 TYR N N 25 118.898 118.898 120.216 -1.318 25627
1191 1 3 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.168 -0.093 25627
1192 1 3 . 1 1 25 25 TYR C C 25 177.164 177.164 177.671 -0.507 25627
1193 1 3 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.207 0.334 25627
1194 1 3 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.336 -0.802 25627
1195 1 3 . 1 1 25 25 TYR H H 25 9.056 9.056 8.857 0.199 25627
1196 1 3 . 1 1 26 26 ARG N N 26 119.000 119.000 118.716 0.284 25627
1197 1 3 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.498 -0.140 25627
1198 1 3 . 1 1 26 26 ARG C C 26 179.709 179.709 178.781 0.928 25627
1199 1 3 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.536 0.733 25627
1200 1 3 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.560 -0.966 25627
1201 1 3 . 1 1 26 26 ARG H H 26 7.672 7.672 8.038 -0.366 25627
1202 1 3 . 1 1 27 27 PHE N N 27 119.640 119.640 119.544 0.096 25627
1203 1 3 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.112 -0.242 25627
1204 1 3 . 1 1 27 27 PHE C C 27 178.542 178.542 177.935 0.607 25627
1205 1 3 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.463 1.969 25627
1206 1 3 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.745 -0.785 25627
1207 1 3 . 1 1 27 27 PHE H H 27 8.497 8.497 8.706 -0.209 25627
1208 1 3 . 1 1 28 28 GLN N N 28 120.400 120.400 118.914 1.486 25627
1209 1 3 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.081 0.644 25627
1210 1 3 . 1 1 28 28 GLN C C 28 182.258 182.258 178.520 3.738 25627
1211 1 3 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.662 0.301 25627
1212 1 3 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.593 -1.832 25627
1213 1 3 . 1 1 28 28 GLN H H 28 8.995 8.995 8.598 0.397 25627
1214 1 3 . 1 1 29 29 GLN N N 29 122.649 122.649 118.199 4.450 25627
1215 1 3 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.838 0.118 25627
1216 1 3 . 1 1 29 29 GLN C C 29 177.046 177.046 177.806 -0.760 25627
1217 1 3 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.087 0.142 25627
1218 1 3 . 1 1 29 29 GLN CB C 29 29.211 29.211 27.823 1.388 25627
1219 1 3 . 1 1 29 29 GLN H H 29 8.728 8.728 8.024 0.704 25627
1220 1 3 . 1 1 30 30 ALA N N 30 117.672 117.672 116.994 0.678 25627
1221 1 3 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.950 0.179 25627
1222 1 3 . 1 1 30 30 ALA C C 30 175.371 175.371 176.798 -1.427 25627
1223 1 3 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.884 -0.672 25627
1224 1 3 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.642 0.554 25627
1225 1 3 . 1 1 30 30 ALA H H 30 7.120 7.120 8.081 -0.961 25627
1226 1 3 . 1 1 31 31 GLY N N 31 103.200 103.200 102.426 0.774 25627
1227 1 3 . 1 1 31 31 GLY C C 31 173.625 173.625 174.038 -0.413 25627
1228 1 3 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.623 0.684 25627
1229 1 3 . 1 1 31 31 GLY H H 31 7.474 7.474 7.480 -0.006 25627
1230 1 3 . 1 1 32 32 TYR N N 32 121.303 121.303 121.033 0.270 25627
1231 1 3 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.860 0.077 25627
1232 1 3 . 1 1 32 32 TYR C C 32 174.419 174.419 175.718 -1.299 25627
1233 1 3 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.643 0.569 25627
1234 1 3 . 1 1 32 32 TYR CB C 32 42.414 42.414 39.968 2.446 25627
1235 1 3 . 1 1 32 32 TYR H H 32 8.403 8.403 7.896 0.507 25627
1236 1 3 . 1 1 33 33 ARG N N 33 118.245 118.245 119.949 -1.704 25627
1237 1 3 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.865 0.086 25627
1238 1 3 . 1 1 33 33 ARG C C 33 175.618 175.618 174.975 0.643 25627
1239 1 3 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.491 3.083 25627
1240 1 3 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.414 1.571 25627
1241 1 3 . 1 1 33 33 ARG H H 33 9.571 9.571 8.655 0.916 25627
1242 1 3 . 1 1 34 34 ASP N N 34 105.630 105.630 115.545 -9.915 25627
1243 1 3 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.387 -0.564 25627
1244 1 3 . 1 1 34 34 ASP C C 34 174.754 174.754 175.438 -0.684 25627
1245 1 3 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.823 -0.558 25627
1246 1 3 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.505 -2.686 25627
1247 1 3 . 1 1 34 34 ASP H H 34 6.995 6.995 7.474 -0.479 25627
1248 1 3 . 1 1 35 35 GLU N N 35 118.215 118.215 120.074 -1.859 25627
1249 1 3 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.678 -0.775 25627
1250 1 3 . 1 1 35 35 GLU C C 35 177.043 177.043 178.271 -1.228 25627
1251 1 3 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.309 -0.708 25627
1252 1 3 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.140 0.973 25627
1253 1 3 . 1 1 35 35 GLU H H 35 7.818 7.818 8.374 -0.556 25627
1254 1 3 . 1 1 36 36 ILE N N 36 118.404 118.404 120.185 -1.781 25627
1255 1 3 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.532 -0.111 25627
1256 1 3 . 1 1 36 36 ILE C C 36 179.143 179.143 177.802 1.341 25627
1257 1 3 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.282 -0.822 25627
1258 1 3 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.639 -1.137 25627
1259 1 3 . 1 1 36 36 ILE H H 36 6.833 6.833 7.822 -0.989 25627
1260 1 3 . 1 1 37 37 GLU N N 37 120.573 120.573 119.576 0.997 25627
1261 1 3 . 1 1 37 37 GLU HA H 37 4.006 4.006 3.967 0.039 25627
1262 1 3 . 1 1 37 37 GLU C C 37 178.417 178.417 178.218 0.199 25627
1263 1 3 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.721 0.703 25627
1264 1 3 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.136 0.762 25627
1265 1 3 . 1 1 37 37 GLU H H 37 8.463 8.463 7.837 0.626 25627
1266 1 3 . 1 1 38 38 TYR N N 38 117.942 117.942 120.823 -2.881 25627
1267 1 3 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.133 0.350 25627
1268 1 3 . 1 1 38 38 TYR C C 38 176.772 176.772 177.386 -0.614 25627
1269 1 3 . 1 1 38 38 TYR CA C 38 62.767 62.767 60.699 2.068 25627
1270 1 3 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.301 1.678 25627
1271 1 3 . 1 1 38 38 TYR H H 38 7.949 7.949 7.650 0.299 25627
1272 1 3 . 1 1 39 39 LYS N N 39 115.539 115.539 118.077 -2.538 25627
1273 1 3 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.487 0.161 25627
1274 1 3 . 1 1 39 39 LYS C C 39 179.543 179.543 178.886 0.657 25627
1275 1 3 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.679 0.968 25627
1276 1 3 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.870 0.352 25627
1277 1 3 . 1 1 39 39 LYS H H 39 8.287 8.287 8.417 -0.130 25627
1278 1 3 . 1 1 40 40 GLN N N 40 118.265 118.265 119.373 -1.108 25627
1279 1 3 . 1 1 40 40 GLN HA H 40 4.011 4.011 3.990 0.021 25627
1280 1 3 . 1 1 40 40 GLN C C 40 178.263 178.263 177.744 0.519 25627
1281 1 3 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.646 0.107 25627
1282 1 3 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.522 0.054 25627
1283 1 3 . 1 1 40 40 GLN H H 40 7.605 7.605 7.351 0.254 25627
1284 1 3 . 1 1 41 41 VAL N N 41 118.627 118.627 119.457 -0.830 25627
1285 1 3 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.671 0.091 25627
1286 1 3 . 1 1 41 41 VAL C C 41 178.092 178.092 177.528 0.564 25627
1287 1 3 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.171 0.538 25627
1288 1 3 . 1 1 41 41 VAL CB C 41 32.642 32.642 32.071 0.571 25627
1289 1 3 . 1 1 41 41 VAL H H 41 8.470 8.470 7.350 1.120 25627
1290 1 3 . 1 1 42 42 LYS N N 42 115.117 115.117 116.594 -1.477 25627
1291 1 3 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.313 -0.063 25627
1292 1 3 . 1 1 42 42 LYS C C 42 176.102 176.102 175.715 0.387 25627
1293 1 3 . 1 1 42 42 LYS CA C 42 53.901 53.901 55.096 -1.195 25627
1294 1 3 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.405 -1.240 25627
1295 1 3 . 1 1 42 42 LYS H H 42 8.263 8.263 7.411 0.852 25627
1296 1 3 . 1 1 43 43 GLN N N 43 116.108 116.108 116.129 -0.021 25627
1297 1 3 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.946 0.022 25627
1298 1 3 . 1 1 43 43 GLN C C 43 175.125 175.125 175.167 -0.042 25627
1299 1 3 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.858 -0.304 25627
1300 1 3 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.540 0.372 25627
1301 1 3 . 1 1 43 43 GLN H H 43 7.717 7.717 7.828 -0.111 25627
1302 1 3 . 1 1 44 44 VAL N N 44 110.285 110.285 113.931 -3.646 25627
1303 1 3 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.408 0.150 25627
1304 1 3 . 1 1 44 44 VAL C C 44 175.431 175.431 173.835 1.596 25627
1305 1 3 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.586 -0.346 25627
1306 1 3 . 1 1 44 44 VAL CB C 44 34.732 34.732 34.243 0.489 25627
1307 1 3 . 1 1 44 44 VAL H H 44 6.817 6.817 7.437 -0.620 25627
1308 1 3 . 1 1 45 45 ALA N N 45 123.422 123.422 121.945 1.477 25627
1309 1 3 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.589 -0.234 25627
1310 1 3 . 1 1 45 45 ALA C C 45 177.543 177.543 176.353 1.190 25627
1311 1 3 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.072 0.749 25627
1312 1 3 . 1 1 45 45 ALA CB C 45 19.812 19.812 18.864 0.948 25627
1313 1 3 . 1 1 45 45 ALA H H 45 8.571 8.571 8.151 0.420 25627
1314 1 3 . 1 1 46 46 MET N N 46 114.808 114.808 116.967 -2.159 25627
1315 1 3 . 1 1 46 46 MET HA H 46 4.724 4.724 4.813 -0.089 25627
1316 1 3 . 1 1 46 46 MET C C 46 173.698 173.698 173.676 0.022 25627
1317 1 3 . 1 1 46 46 MET CA C 46 54.230 54.230 54.922 -0.692 25627
1318 1 3 . 1 1 46 46 MET CB C 46 34.793 34.793 35.002 -0.209 25627
1319 1 3 . 1 1 46 46 MET H H 46 7.657 7.657 7.517 0.140 25627
1320 1 3 . 1 1 47 47 VAL N N 47 120.757 120.757 121.585 -0.828 25627
1321 1 3 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.518 -0.239 25627
1322 1 3 . 1 1 47 47 VAL C C 47 174.985 174.985 174.827 0.158 25627
1323 1 3 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.265 -0.229 25627
1324 1 3 . 1 1 47 47 VAL CB C 47 33.826 33.826 34.289 -0.463 25627
1325 1 3 . 1 1 47 47 VAL H H 47 8.459 8.459 8.369 0.090 25627
1326 1 3 . 1 1 48 48 ASP N N 48 126.251 126.251 126.636 -0.385 25627
1327 1 3 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.543 -0.070 25627
1328 1 3 . 1 1 48 48 ASP C C 48 175.819 175.819 175.687 0.132 25627
1329 1 3 . 1 1 48 48 ASP CA C 48 55.472 55.472 55.343 0.129 25627
1330 1 3 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.627 0.507 25627
1331 1 3 . 1 1 48 48 ASP H H 48 8.929 8.929 8.591 0.338 25627
1332 1 3 . 1 1 49 49 ARG N N 49 122.995 122.995 121.444 1.551 25627
1333 1 3 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.317 -0.558 25627
1334 1 3 . 1 1 49 49 ARG C C 49 176.363 176.363 175.395 0.968 25627
1335 1 3 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.951 -0.337 25627
1336 1 3 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.321 0.149 25627
1337 1 3 . 1 1 49 49 ARG H H 49 8.534 8.534 8.389 0.145 25627
1338 1 3 . 1 1 50 50 TRP N N 50 125.191 125.191 122.674 2.517 25627
1339 1 3 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.158 -0.494 25627
1340 1 3 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.532 0.063 25627
1341 1 3 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.170 -0.057 25627
1342 1 3 . 1 1 50 50 TRP H H 50 9.111 9.111 8.460 0.651 25627
1343 1 3 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.237 0.108 25627
1344 1 3 . 1 1 51 51 PRO C C 51 178.698 178.698 177.490 1.208 25627
1345 1 3 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.172 -0.599 25627
1346 1 3 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.057 0.106 25627
1347 1 3 . 1 1 52 52 GLU N N 52 116.570 116.570 118.648 -2.078 25627
1348 1 3 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.196 -0.226 25627
1349 1 3 . 1 1 52 52 GLU C C 52 178.031 178.031 177.893 0.138 25627
1350 1 3 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.766 1.992 25627
1351 1 3 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.348 0.267 25627
1352 1 3 . 1 1 52 52 GLU H H 52 9.951 9.951 9.044 0.907 25627
1353 1 3 . 1 1 53 53 THR N N 53 103.788 103.788 106.883 -3.095 25627
1354 1 3 . 1 1 53 53 THR HA H 53 4.135 4.135 4.386 -0.251 25627
1355 1 3 . 1 1 53 53 THR C C 53 175.731 175.731 175.100 0.631 25627
1356 1 3 . 1 1 53 53 THR CA C 53 60.427 60.427 62.105 -1.677 25627
1357 1 3 . 1 1 53 53 THR CB C 53 70.762 70.762 70.912 -0.150 25627
1358 1 3 . 1 1 53 53 THR H H 53 7.120 7.120 7.698 -0.578 25627
1359 1 3 . 1 1 54 54 GLY N N 54 109.195 109.195 110.222 -1.027 25627
1360 1 3 . 1 1 54 54 GLY C C 54 174.593 174.593 174.103 0.490 25627
1361 1 3 . 1 1 54 54 GLY CA C 54 45.748 45.748 44.948 0.800 25627
1362 1 3 . 1 1 54 54 GLY H H 54 8.227 8.227 7.951 0.276 25627
1363 1 3 . 1 1 55 55 TYR N N 55 119.038 119.038 118.729 0.309 25627
1364 1 3 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.516 1.189 25627
1365 1 3 . 1 1 55 55 TYR C C 55 177.556 177.556 176.605 0.951 25627
1366 1 3 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.557 -3.827 25627
1367 1 3 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.166 -0.425 25627
1368 1 3 . 1 1 55 55 TYR H H 55 7.353 7.353 7.352 0.001 25627
1369 1 3 . 1 1 56 56 VAL N N 56 120.089 120.089 120.986 -0.897 25627
1370 1 3 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.112 -0.499 25627
1371 1 3 . 1 1 56 56 VAL C C 56 174.564 174.564 176.779 -2.215 25627
1372 1 3 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.756 0.011 25627
1373 1 3 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.480 1.287 25627
1374 1 3 . 1 1 56 56 VAL H H 56 8.252 8.252 8.861 -0.609 25627
1375 1 3 . 1 1 57 57 LYS N N 57 127.233 127.233 127.668 -0.435 25627
1376 1 3 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.705 -0.257 25627
1377 1 3 . 1 1 57 57 LYS C C 57 175.256 175.256 176.270 -1.014 25627
1378 1 3 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.332 -1.349 25627
1379 1 3 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.714 1.536 25627
1380 1 3 . 1 1 57 57 LYS H H 57 9.005 9.005 8.685 0.320 25627
1381 1 3 . 1 1 58 58 LYS N N 58 115.918 115.918 114.127 1.791 25627
1382 1 3 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.226 0.144 25627
1383 1 3 . 1 1 58 58 LYS C C 58 174.030 174.030 174.444 -0.414 25627
1384 1 3 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.076 -0.222 25627
1385 1 3 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.277 -0.454 25627
1386 1 3 . 1 1 58 58 LYS H H 58 6.921 6.921 7.684 -0.763 25627
1387 1 3 . 1 1 59 59 LEU N N 59 121.666 121.666 121.028 0.638 25627
1388 1 3 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.585 0.064 25627
1389 1 3 . 1 1 59 59 LEU C C 59 174.451 174.451 175.122 -0.671 25627
1390 1 3 . 1 1 59 59 LEU CA C 59 53.472 53.472 53.617 -0.145 25627
1391 1 3 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.112 0.827 25627
1392 1 3 . 1 1 59 59 LEU H H 59 8.793 8.793 8.977 -0.184 25627
1393 1 3 . 1 1 60 60 GLN N N 60 121.710 121.710 124.308 -2.598 25627
1394 1 3 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.570 -0.134 25627
1395 1 3 . 1 1 60 60 GLN C C 60 176.636 176.636 175.920 0.716 25627
1396 1 3 . 1 1 60 60 GLN CA C 60 54.917 54.917 56.088 -1.171 25627
1397 1 3 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.680 0.656 25627
1398 1 3 . 1 1 60 60 GLN H H 60 8.879 8.879 8.758 0.121 25627
1399 1 3 . 1 1 61 61 ARG N N 61 126.172 126.172 124.582 1.590 25627
1400 1 3 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.348 0.195 25627
1401 1 3 . 1 1 61 61 ARG C C 61 178.315 178.315 177.800 0.515 25627
1402 1 3 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.997 1.576 25627
1403 1 3 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.696 1.205 25627
1404 1 3 . 1 1 61 61 ARG H H 61 9.387 9.387 8.941 0.446 25627
1405 1 3 . 1 1 62 62 ARG N N 62 123.754 123.754 119.642 4.112 25627
1406 1 3 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.111 -0.243 25627
1407 1 3 . 1 1 62 62 ARG C C 62 176.508 176.508 176.286 0.222 25627
1408 1 3 . 1 1 62 62 ARG CA C 62 59.863 59.863 57.541 2.322 25627
1409 1 3 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.686 -0.222 25627
1410 1 3 . 1 1 62 62 ARG H H 62 9.385 9.385 8.254 1.131 25627
1411 1 3 . 1 1 63 63 ASP N N 63 116.155 116.155 118.503 -2.348 25627
1412 1 3 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.681 -0.250 25627
1413 1 3 . 1 1 63 63 ASP C C 63 176.163 176.163 175.321 0.842 25627
1414 1 3 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.623 -0.437 25627
1415 1 3 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.105 -0.349 25627
1416 1 3 . 1 1 63 63 ASP H H 63 7.505 7.505 8.143 -0.638 25627
1417 1 3 . 1 1 64 64 ASN N N 64 110.183 110.183 114.137 -3.954 25627
1418 1 3 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.240 -0.153 25627
1419 1 3 . 1 1 64 64 ASN C C 64 175.432 175.432 173.571 1.861 25627
1420 1 3 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.342 1.088 25627
1421 1 3 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.231 -0.197 25627
1422 1 3 . 1 1 64 64 ASN H H 64 7.791 7.791 8.063 -0.272 25627
1423 1 3 . 1 1 65 65 THR N N 65 112.736 112.736 110.098 2.638 25627
1424 1 3 . 1 1 65 65 THR HA H 65 4.414 4.414 4.506 -0.092 25627
1425 1 3 . 1 1 65 65 THR C C 65 173.653 173.653 173.764 -0.111 25627
1426 1 3 . 1 1 65 65 THR CA C 65 62.342 62.342 60.410 1.932 25627
1427 1 3 . 1 1 65 65 THR CB C 65 70.946 70.946 70.969 -0.023 25627
1428 1 3 . 1 1 65 65 THR H H 65 7.921 7.921 7.204 0.717 25627
1429 1 3 . 1 1 66 66 PHE N N 66 118.850 118.850 125.463 -6.613 25627
1430 1 3 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.584 0.560 25627
1431 1 3 . 1 1 66 66 PHE C C 66 174.762 174.762 175.099 -0.337 25627
1432 1 3 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.844 -0.365 25627
1433 1 3 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.456 2.807 25627
1434 1 3 . 1 1 66 66 PHE H H 66 8.926 8.926 8.766 0.160 25627
1435 1 3 . 1 1 67 67 PHE N N 67 124.259 124.259 126.772 -2.513 25627
1436 1 3 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.823 -0.159 25627
1437 1 3 . 1 1 67 67 PHE C C 67 173.553 173.553 173.123 0.430 25627
1438 1 3 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.249 -0.345 25627
1439 1 3 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.466 -0.129 25627
1440 1 3 . 1 1 67 67 PHE H H 67 9.142 9.142 8.318 0.824 25627
1441 1 3 . 1 1 68 68 TYR N N 68 122.881 122.881 126.490 -3.609 25627
1442 1 3 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.757 0.114 25627
1443 1 3 . 1 1 68 68 TYR C C 68 174.835 174.835 175.088 -0.253 25627
1444 1 3 . 1 1 68 68 TYR CA C 68 57.393 57.393 57.897 -0.504 25627
1445 1 3 . 1 1 68 68 TYR CB C 68 40.189 40.189 39.247 0.942 25627
1446 1 3 . 1 1 68 68 TYR H H 68 8.064 8.064 8.141 -0.077 25627
1447 1 3 . 1 1 69 69 TYR N N 69 118.675 118.675 124.020 -5.345 25627
1448 1 3 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.821 0.204 25627
1449 1 3 . 1 1 69 69 TYR C C 69 177.181 177.181 175.344 1.837 25627
1450 1 3 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.199 -0.287 25627
1451 1 3 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.317 2.106 25627
1452 1 3 . 1 1 69 69 TYR H H 69 8.384 8.384 8.819 -0.435 25627
1453 1 3 . 1 1 70 70 ASN N N 70 122.917 122.917 118.535 4.382 25627
1454 1 3 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.853 -0.058 25627
1455 1 3 . 1 1 70 70 ASN C C 70 175.433 175.433 175.922 -0.489 25627
1456 1 3 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.409 0.950 25627
1457 1 3 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.840 -0.463 25627
1458 1 3 . 1 1 70 70 ASN H H 70 9.832 9.832 8.662 1.170 25627
1459 1 3 . 1 1 71 71 LYS N N 71 123.116 123.116 122.946 0.170 25627
1460 1 3 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.231 -1.992 25627
1461 1 3 . 1 1 71 71 LYS C C 71 175.495 175.495 177.639 -2.144 25627
1462 1 3 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.273 0.148 25627
1463 1 3 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.032 0.045 25627
1464 1 3 . 1 1 71 71 LYS H H 71 8.047 8.047 8.699 -0.652 25627
1465 1 3 . 1 1 72 72 GLU N N 72 113.242 113.242 120.378 -7.136 25627
1466 1 3 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.279 0.099 25627
1467 1 3 . 1 1 72 72 GLU C C 72 175.018 175.018 176.144 -1.126 25627
1468 1 3 . 1 1 72 72 GLU CA C 72 54.807 54.807 56.002 -1.195 25627
1469 1 3 . 1 1 72 72 GLU CB C 72 30.432 30.432 27.751 2.681 25627
1470 1 3 . 1 1 72 72 GLU H H 72 7.335 7.335 8.425 -1.090 25627
1471 1 3 . 1 1 73 73 ARG N N 73 118.120 118.120 120.680 -2.560 25627
1472 1 3 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.903 -0.549 25627
1473 1 3 . 1 1 73 73 ARG C C 73 175.859 175.859 176.011 -0.152 25627
1474 1 3 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.628 0.046 25627
1475 1 3 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.247 0.888 25627
1476 1 3 . 1 1 73 73 ARG H H 73 8.174 8.174 8.200 -0.026 25627
1477 1 3 . 1 1 74 74 GLU N N 74 127.360 127.360 124.417 2.943 25627
1478 1 3 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.282 0.211 25627
1479 1 3 . 1 1 74 74 GLU C C 74 176.415 176.415 175.245 1.170 25627
1480 1 3 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.660 1.401 25627
1481 1 3 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.592 3.870 25627
1482 1 3 . 1 1 74 74 GLU H H 74 10.788 10.788 8.458 2.330 25627
1483 1 3 . 1 1 75 75 CYS N N 75 123.441 123.441 118.419 5.022 25627
1484 1 3 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.513 -1.037 25627
1485 1 3 . 1 1 75 75 CYS C C 75 174.198 174.198 173.812 0.386 25627
1486 1 3 . 1 1 75 75 CYS CA C 75 59.022 59.022 57.997 1.025 25627
1487 1 3 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.714 -2.492 25627
1488 1 3 . 1 1 75 75 CYS H H 75 9.198 9.198 7.502 1.696 25627
1489 1 3 . 1 1 76 76 GLU N N 76 131.177 131.177 123.264 7.913 25627
1490 1 3 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.198 -0.203 25627
1491 1 3 . 1 1 76 76 GLU C C 76 177.122 177.122 175.445 1.677 25627
1492 1 3 . 1 1 76 76 GLU CA C 76 56.816 56.816 55.053 1.764 25627
1493 1 3 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.466 -1.798 25627
1494 1 3 . 1 1 76 76 GLU H H 76 8.452 8.452 7.803 0.649 25627
1495 1 3 . 1 1 77 77 ASP N N 77 123.154 123.154 121.372 1.782 25627
1496 1 3 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.236 0.100 25627
1497 1 3 . 1 1 77 77 ASP C C 77 179.545 179.545 177.342 2.203 25627
1498 1 3 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.380 1.230 25627
1499 1 3 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.821 -0.871 25627
1500 1 3 . 1 1 77 77 ASP H H 77 9.067 9.067 8.779 0.288 25627
1501 1 3 . 1 1 78 78 LYS N N 78 116.055 116.055 118.149 -2.094 25627
1502 1 3 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.088 0.210 25627
1503 1 3 . 1 1 78 78 LYS C C 78 176.146 176.146 178.443 -2.297 25627
1504 1 3 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.320 -0.836 25627
1505 1 3 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.273 -0.433 25627
1506 1 3 . 1 1 78 78 LYS H H 78 8.664 8.664 8.304 0.360 25627
1507 1 3 . 1 1 79 79 GLU N N 79 117.481 117.481 118.876 -1.395 25627
1508 1 3 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.120 0.327 25627
1509 1 3 . 1 1 79 79 GLU C C 79 177.666 177.666 179.056 -1.390 25627
1510 1 3 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.870 -3.265 25627
1511 1 3 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.641 1.347 25627
1512 1 3 . 1 1 79 79 GLU H H 79 7.735 7.735 8.343 -0.608 25627
1513 1 3 . 1 1 80 80 VAL N N 80 121.192 121.192 119.897 1.295 25627
1514 1 3 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.625 -0.382 25627
1515 1 3 . 1 1 80 80 VAL C C 80 176.731 176.731 177.501 -0.770 25627
1516 1 3 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.567 0.308 25627
1517 1 3 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.371 0.802 25627
1518 1 3 . 1 1 80 80 VAL H H 80 7.274 7.274 7.615 -0.341 25627
1519 1 3 . 1 1 81 81 HIS N N 81 112.861 112.861 115.222 -2.361 25627
1520 1 3 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.437 0.211 25627
1521 1 3 . 1 1 81 81 HIS C C 81 175.330 175.330 176.768 -1.438 25627
1522 1 3 . 1 1 81 81 HIS CA C 81 57.747 57.747 58.559 -0.812 25627
1523 1 3 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.088 -0.908 25627
1524 1 3 . 1 1 81 81 HIS H H 81 8.157 8.157 7.672 0.485 25627
1525 1 3 . 1 1 82 82 LYS N N 82 117.850 117.850 118.042 -0.192 25627
1526 1 3 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.311 -0.300 25627
1527 1 3 . 1 1 82 82 LYS C C 82 177.430 177.430 177.529 -0.099 25627
1528 1 3 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.031 -0.440 25627
1529 1 3 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.812 0.271 25627
1530 1 3 . 1 1 82 82 LYS H H 82 7.264 7.264 7.601 -0.337 25627
1531 1 3 . 1 1 83 83 VAL N N 83 123.619 123.619 122.267 1.352 25627
1532 1 3 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.081 -0.201 25627
1533 1 3 . 1 1 83 83 VAL C C 83 175.239 175.239 175.017 0.222 25627
1534 1 3 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.804 1.008 25627
1535 1 3 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.705 -1.157 25627
1536 1 3 . 1 1 83 83 VAL H H 83 8.126 8.126 7.788 0.338 25627
1537 1 3 . 1 1 84 84 LYS N N 84 128.994 128.994 126.338 2.656 25627
1538 1 3 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.759 -0.306 25627
1539 1 3 . 1 1 84 84 LYS C C 84 174.399 174.399 175.331 -0.932 25627
1540 1 3 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.749 1.068 25627
1541 1 3 . 1 1 84 84 LYS CB C 84 34.106 34.106 35.059 -0.953 25627
1542 1 3 . 1 1 84 84 LYS H H 84 9.031 9.031 8.202 0.829 25627
1543 1 3 . 1 1 85 85 VAL N N 85 120.723 120.723 121.135 -0.412 25627
1544 1 3 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.613 -0.583 25627
1545 1 3 . 1 1 85 85 VAL C C 85 175.482 175.482 174.653 0.829 25627
1546 1 3 . 1 1 85 85 VAL CA C 85 61.642 61.642 60.032 1.610 25627
1547 1 3 . 1 1 85 85 VAL CB C 85 32.488 32.488 34.533 -2.045 25627
1548 1 3 . 1 1 85 85 VAL H H 85 8.299 8.299 9.055 -0.755 25627
1549 1 3 . 1 1 86 86 TYR N N 86 126.214 126.214 128.313 -2.099 25627
1550 1 3 . 1 1 86 86 TYR HA H 86 4.726 4.726 5.014 -0.288 25627
1551 1 3 . 1 1 86 86 TYR C C 86 175.214 175.214 174.817 0.397 25627
1552 1 3 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.492 3.047 25627
1553 1 3 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.563 1.489 25627
1554 1 3 . 1 1 86 86 TYR H H 86 8.077 8.077 8.848 -0.771 25627
1555 1 3 . 1 1 87 87 VAL N N 87 123.680 123.680 121.462 2.218 25627
1556 1 3 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.131 0.065 25627
1557 1 3 . 1 1 87 87 VAL C C 87 174.322 174.322 173.914 0.408 25627
1558 1 3 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.443 2.458 25627
1559 1 3 . 1 1 87 87 VAL CB C 87 33.779 33.779 32.840 0.939 25627
1560 1 3 . 1 1 87 87 VAL H H 87 8.133 8.133 8.791 -0.658 25627
1561 1 4 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.358 -0.228 25627
1562 1 4 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 57.747 -2.898 25627
1563 1 4 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 30.338 1.335 25627
1564 1 4 . 1 1 0 0 MET N N 0 120.413 120.413 119.757 0.656 25627
1565 1 4 . 1 1 0 0 MET HA H 0 4.350 4.350 4.528 -0.178 25627
1566 1 4 . 1 1 0 0 MET C C 0 175.829 175.829 174.332 1.497 25627
1567 1 4 . 1 1 0 0 MET CA C 0 55.134 55.134 55.328 -0.194 25627
1568 1 4 . 1 1 0 0 MET CB C 0 32.391 32.391 33.177 -0.786 25627
1569 1 4 . 1 1 0 0 MET H H 0 8.332 8.332 7.980 0.352 25627
1570 1 4 . 1 1 1 1 MET N N 1 121.120 121.120 124.953 -3.833 25627
1571 1 4 . 1 1 1 1 MET HA H 1 4.443 4.443 4.720 -0.277 25627
1572 1 4 . 1 1 1 1 MET C C 1 175.772 175.772 174.315 1.457 25627
1573 1 4 . 1 1 1 1 MET CA C 1 55.446 55.446 54.026 1.420 25627
1574 1 4 . 1 1 1 1 MET CB C 1 32.774 32.774 36.053 -3.279 25627
1575 1 4 . 1 1 1 1 MET H H 1 8.287 8.287 8.195 0.092 25627
1576 1 4 . 1 1 2 2 ALA N N 2 125.673 125.673 128.655 -2.982 25627
1577 1 4 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.426 -0.059 25627
1578 1 4 . 1 1 2 2 ALA C C 2 177.821 177.821 177.539 0.282 25627
1579 1 4 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.906 -0.338 25627
1580 1 4 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.323 -0.086 25627
1581 1 4 . 1 1 2 2 ALA H H 2 8.373 8.373 8.505 -0.132 25627
1582 1 4 . 1 1 3 3 THR N N 3 113.038 113.038 112.778 0.260 25627
1583 1 4 . 1 1 3 3 THR HA H 3 4.354 4.354 3.949 0.405 25627
1584 1 4 . 1 1 3 3 THR C C 3 174.577 174.577 174.546 0.031 25627
1585 1 4 . 1 1 3 3 THR CA C 3 61.679 61.679 63.479 -1.800 25627
1586 1 4 . 1 1 3 3 THR CB C 3 69.864 69.864 67.843 2.021 25627
1587 1 4 . 1 1 3 3 THR H H 3 8.099 8.099 8.611 -0.511 25627
1588 1 4 . 1 1 4 4 SER N N 4 117.235 117.235 114.447 2.788 25627
1589 1 4 . 1 1 4 4 SER HA H 4 4.440 4.440 4.412 0.028 25627
1590 1 4 . 1 1 4 4 SER C C 4 173.887 173.887 173.468 0.419 25627
1591 1 4 . 1 1 4 4 SER CA C 4 58.314 58.314 59.188 -0.874 25627
1592 1 4 . 1 1 4 4 SER CB C 4 63.951 63.951 64.916 -0.965 25627
1593 1 4 . 1 1 4 4 SER H H 4 8.238 8.238 7.802 0.436 25627
1594 1 4 . 1 1 5 5 ASP N N 5 122.543 122.543 124.371 -1.828 25627
1595 1 4 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.751 -0.168 25627
1596 1 4 . 1 1 5 5 ASP C C 5 175.690 175.690 175.950 -0.260 25627
1597 1 4 . 1 1 5 5 ASP CA C 5 54.146 54.146 54.364 -0.218 25627
1598 1 4 . 1 1 5 5 ASP CB C 5 41.166 41.166 41.377 -0.211 25627
1599 1 4 . 1 1 5 5 ASP H H 5 8.321 8.321 8.211 0.110 25627
1600 1 4 . 1 1 6 6 VAL N N 6 121.235 121.235 125.425 -4.190 25627
1601 1 4 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.276 -0.178 25627
1602 1 4 . 1 1 6 6 VAL C C 6 175.211 175.211 174.937 0.274 25627
1603 1 4 . 1 1 6 6 VAL CA C 6 62.322 62.322 61.576 0.746 25627
1604 1 4 . 1 1 6 6 VAL CB C 6 32.581 32.581 33.636 -1.055 25627
1605 1 4 . 1 1 6 6 VAL H H 6 7.942 7.942 8.294 -0.352 25627
1606 1 4 . 1 1 7 7 LYS N N 7 125.356 125.356 128.159 -2.803 25627
1607 1 4 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.031 -0.720 25627
1608 1 4 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.405 2.089 25627
1609 1 4 . 1 1 7 7 LYS H H 7 8.383 8.383 8.493 -0.110 25627
1610 1 4 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.612 -0.653 25627
1611 1 4 . 1 1 8 8 PRO C C 8 176.346 176.346 176.197 0.149 25627
1612 1 4 . 1 1 8 8 PRO CA C 8 62.993 62.993 62.925 0.068 25627
1613 1 4 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.636 -0.633 25627
1614 1 4 . 1 1 9 9 LYS N N 9 122.609 122.609 119.119 3.490 25627
1615 1 4 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.520 -0.233 25627
1616 1 4 . 1 1 9 9 LYS C C 9 177.164 177.164 177.020 0.144 25627
1617 1 4 . 1 1 9 9 LYS CA C 9 57.222 57.222 56.657 0.565 25627
1618 1 4 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.915 0.047 25627
1619 1 4 . 1 1 9 9 LYS H H 9 9.393 9.393 8.483 0.910 25627
1620 1 4 . 1 1 10 10 SER N N 10 111.655 111.655 114.561 -2.906 25627
1621 1 4 . 1 1 10 10 SER HA H 10 4.563 4.563 4.803 -0.240 25627
1622 1 4 . 1 1 10 10 SER C C 10 171.697 171.697 172.271 -0.574 25627
1623 1 4 . 1 1 10 10 SER CA C 10 57.614 57.614 58.209 -0.595 25627
1624 1 4 . 1 1 10 10 SER CB C 10 64.687 64.687 66.482 -1.795 25627
1625 1 4 . 1 1 10 10 SER H H 10 7.846 7.846 7.860 -0.014 25627
1626 1 4 . 1 1 11 11 ILE N N 11 121.054 121.054 121.480 -0.426 25627
1627 1 4 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.504 0.027 25627
1628 1 4 . 1 1 11 11 ILE C C 11 175.460 175.460 175.253 0.207 25627
1629 1 4 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.825 -0.031 25627
1630 1 4 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.592 -0.487 25627
1631 1 4 . 1 1 11 11 ILE H H 11 8.128 8.128 8.536 -0.408 25627
1632 1 4 . 1 1 12 12 SER N N 12 122.340 122.340 121.795 0.545 25627
1633 1 4 . 1 1 12 12 SER HA H 12 4.757 4.757 4.928 -0.171 25627
1634 1 4 . 1 1 12 12 SER C C 12 172.771 172.771 172.747 0.024 25627
1635 1 4 . 1 1 12 12 SER CA C 12 56.498 56.498 55.857 0.641 25627
1636 1 4 . 1 1 12 12 SER CB C 12 65.418 65.418 65.246 0.172 25627
1637 1 4 . 1 1 12 12 SER H H 12 8.782 8.782 8.972 -0.190 25627
1638 1 4 . 1 1 13 13 ARG N N 13 119.603 119.603 119.766 -0.163 25627
1639 1 4 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.527 0.349 25627
1640 1 4 . 1 1 13 13 ARG C C 13 176.720 176.720 175.800 0.920 25627
1641 1 4 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.467 -0.159 25627
1642 1 4 . 1 1 13 13 ARG CB C 13 31.754 31.754 32.044 -0.290 25627
1643 1 4 . 1 1 13 13 ARG H H 13 8.374 8.374 8.463 -0.089 25627
1644 1 4 . 1 1 14 14 ALA N N 14 127.004 127.004 127.225 -0.221 25627
1645 1 4 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.284 -0.174 25627
1646 1 4 . 1 1 14 14 ALA C C 14 176.523 176.523 176.755 -0.232 25627
1647 1 4 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.197 0.345 25627
1648 1 4 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.749 0.338 25627
1649 1 4 . 1 1 14 14 ALA H H 14 8.725 8.725 8.197 0.528 25627
1650 1 4 . 1 1 15 15 LYS N N 15 117.157 117.157 119.654 -2.497 25627
1651 1 4 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.489 -0.117 25627
1652 1 4 . 1 1 15 15 LYS C C 15 176.383 176.383 175.891 0.492 25627
1653 1 4 . 1 1 15 15 LYS CA C 15 56.626 56.626 55.865 0.761 25627
1654 1 4 . 1 1 15 15 LYS CB C 15 34.610 34.610 32.305 2.305 25627
1655 1 4 . 1 1 15 15 LYS H H 15 8.518 8.518 8.635 -0.117 25627
1656 1 4 . 1 1 16 16 LYS N N 16 116.265 116.265 119.200 -2.935 25627
1657 1 4 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.460 0.115 25627
1658 1 4 . 1 1 16 16 LYS C C 16 174.584 174.584 174.276 0.308 25627
1659 1 4 . 1 1 16 16 LYS CA C 16 54.694 54.694 55.736 -1.042 25627
1660 1 4 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.818 0.786 25627
1661 1 4 . 1 1 16 16 LYS H H 16 7.429 7.429 7.314 0.115 25627
1662 1 4 . 1 1 17 17 TRP N N 17 123.638 123.638 123.846 -0.208 25627
1663 1 4 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.786 -1.001 25627
1664 1 4 . 1 1 17 17 TRP C C 17 174.781 174.781 174.633 0.148 25627
1665 1 4 . 1 1 17 17 TRP CA C 17 61.877 61.877 58.134 3.743 25627
1666 1 4 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.834 -0.913 25627
1667 1 4 . 1 1 17 17 TRP H H 17 9.412 9.412 8.796 0.616 25627
1668 1 4 . 1 1 18 18 SER N N 18 119.926 119.926 120.209 -0.283 25627
1669 1 4 . 1 1 18 18 SER HA H 18 3.831 3.831 3.924 -0.093 25627
1670 1 4 . 1 1 18 18 SER C C 18 172.100 172.100 173.695 -1.595 25627
1671 1 4 . 1 1 18 18 SER CA C 18 56.830 56.830 56.224 0.606 25627
1672 1 4 . 1 1 18 18 SER CB C 18 66.241 66.241 66.595 -0.354 25627
1673 1 4 . 1 1 18 18 SER H H 18 6.081 6.081 7.949 -1.868 25627
1674 1 4 . 1 1 19 19 GLU N N 19 120.673 120.673 123.705 -3.032 25627
1675 1 4 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.870 -0.223 25627
1676 1 4 . 1 1 19 19 GLU C C 19 177.682 177.682 178.093 -0.411 25627
1677 1 4 . 1 1 19 19 GLU CA C 19 60.579 60.579 60.035 0.544 25627
1678 1 4 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.874 -1.251 25627
1679 1 4 . 1 1 19 19 GLU H H 19 9.355 9.355 8.724 0.631 25627
1680 1 4 . 1 1 20 20 GLU N N 20 117.979 117.979 118.750 -0.771 25627
1681 1 4 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.115 0.109 25627
1682 1 4 . 1 1 20 20 GLU C C 20 179.454 179.454 178.559 0.895 25627
1683 1 4 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.992 0.259 25627
1684 1 4 . 1 1 20 20 GLU CB C 20 29.715 29.715 28.960 0.755 25627
1685 1 4 . 1 1 20 20 GLU H H 20 7.946 7.946 8.524 -0.578 25627
1686 1 4 . 1 1 21 21 ILE N N 21 121.560 121.560 119.888 1.672 25627
1687 1 4 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.860 -0.083 25627
1688 1 4 . 1 1 21 21 ILE C C 21 176.700 176.700 178.119 -1.419 25627
1689 1 4 . 1 1 21 21 ILE CA C 21 61.978 61.978 63.228 -1.250 25627
1690 1 4 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.779 -0.685 25627
1691 1 4 . 1 1 21 21 ILE H H 21 7.122 7.122 7.927 -0.805 25627
1692 1 4 . 1 1 22 22 GLU N N 22 121.372 121.372 120.493 0.879 25627
1693 1 4 . 1 1 22 22 GLU HA H 22 3.999 3.999 4.023 -0.024 25627
1694 1 4 . 1 1 22 22 GLU C C 22 178.416 178.416 178.655 -0.239 25627
1695 1 4 . 1 1 22 22 GLU CA C 22 59.018 59.018 59.732 -0.714 25627
1696 1 4 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.176 -1.024 25627
1697 1 4 . 1 1 22 22 GLU H H 22 8.017 8.017 8.218 -0.201 25627
1698 1 4 . 1 1 23 23 ASN N N 23 114.717 114.717 117.799 -3.082 25627
1699 1 4 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.561 0.176 25627
1700 1 4 . 1 1 23 23 ASN C C 23 177.565 177.565 177.854 -0.289 25627
1701 1 4 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.649 -0.285 25627
1702 1 4 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.397 0.409 25627
1703 1 4 . 1 1 23 23 ASN H H 23 7.352 7.352 7.853 -0.501 25627
1704 1 4 . 1 1 24 24 LEU N N 24 122.083 122.083 120.008 2.075 25627
1705 1 4 . 1 1 24 24 LEU HA H 24 4.403 4.403 4.034 0.369 25627
1706 1 4 . 1 1 24 24 LEU C C 24 178.487 178.487 179.174 -0.687 25627
1707 1 4 . 1 1 24 24 LEU CA C 24 59.497 59.497 57.983 1.514 25627
1708 1 4 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.761 0.474 25627
1709 1 4 . 1 1 24 24 LEU H H 24 8.232 8.232 7.557 0.675 25627
1710 1 4 . 1 1 25 25 TYR N N 25 118.898 118.898 120.079 -1.181 25627
1711 1 4 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.189 -0.114 25627
1712 1 4 . 1 1 25 25 TYR C C 25 177.164 177.164 177.655 -0.491 25627
1713 1 4 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.366 0.175 25627
1714 1 4 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.315 -0.781 25627
1715 1 4 . 1 1 25 25 TYR H H 25 9.056 9.056 8.367 0.689 25627
1716 1 4 . 1 1 26 26 ARG N N 26 119.000 119.000 119.009 -0.009 25627
1717 1 4 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.716 -0.358 25627
1718 1 4 . 1 1 26 26 ARG C C 26 179.709 179.709 178.886 0.823 25627
1719 1 4 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.531 0.738 25627
1720 1 4 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.659 -1.065 25627
1721 1 4 . 1 1 26 26 ARG H H 26 7.672 7.672 7.965 -0.293 25627
1722 1 4 . 1 1 27 27 PHE N N 27 119.640 119.640 119.211 0.429 25627
1723 1 4 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.073 -0.203 25627
1724 1 4 . 1 1 27 27 PHE C C 27 178.542 178.542 177.846 0.696 25627
1725 1 4 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.309 2.123 25627
1726 1 4 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.700 -0.740 25627
1727 1 4 . 1 1 27 27 PHE H H 27 8.497 8.497 8.628 -0.131 25627
1728 1 4 . 1 1 28 28 GLN N N 28 120.400 120.400 119.150 1.250 25627
1729 1 4 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.202 0.523 25627
1730 1 4 . 1 1 28 28 GLN C C 28 182.258 182.258 179.164 3.094 25627
1731 1 4 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.774 0.189 25627
1732 1 4 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.739 -1.978 25627
1733 1 4 . 1 1 28 28 GLN H H 28 8.995 8.995 8.774 0.221 25627
1734 1 4 . 1 1 29 29 GLN N N 29 122.649 122.649 118.402 4.247 25627
1735 1 4 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.931 0.025 25627
1736 1 4 . 1 1 29 29 GLN C C 29 177.046 177.046 176.650 0.396 25627
1737 1 4 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.085 0.144 25627
1738 1 4 . 1 1 29 29 GLN CB C 29 29.211 29.211 27.666 1.546 25627
1739 1 4 . 1 1 29 29 GLN H H 29 8.728 8.728 8.348 0.380 25627
1740 1 4 . 1 1 30 30 ALA N N 30 117.672 117.672 118.081 -0.409 25627
1741 1 4 . 1 1 30 30 ALA HA H 30 4.129 4.129 4.226 -0.097 25627
1742 1 4 . 1 1 30 30 ALA C C 30 175.371 175.371 177.369 -1.998 25627
1743 1 4 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.413 -0.201 25627
1744 1 4 . 1 1 30 30 ALA CB C 30 19.196 19.196 19.339 -0.143 25627
1745 1 4 . 1 1 30 30 ALA H H 30 7.120 7.120 7.286 -0.166 25627
1746 1 4 . 1 1 31 31 GLY N N 31 103.200 103.200 103.932 -0.732 25627
1747 1 4 . 1 1 31 31 GLY C C 31 173.625 173.625 173.671 -0.046 25627
1748 1 4 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.919 0.389 25627
1749 1 4 . 1 1 31 31 GLY H H 31 7.474 7.474 7.837 -0.363 25627
1750 1 4 . 1 1 32 32 TYR N N 32 121.303 121.303 119.680 1.623 25627
1751 1 4 . 1 1 32 32 TYR HA H 32 4.937 4.937 5.165 -0.228 25627
1752 1 4 . 1 1 32 32 TYR C C 32 174.419 174.419 176.248 -1.829 25627
1753 1 4 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.939 0.273 25627
1754 1 4 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.060 2.354 25627
1755 1 4 . 1 1 32 32 TYR H H 32 8.403 8.403 8.103 0.300 25627
1756 1 4 . 1 1 33 33 ARG N N 33 118.245 118.245 120.474 -2.229 25627
1757 1 4 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.999 -0.048 25627
1758 1 4 . 1 1 33 33 ARG C C 33 175.618 175.618 175.228 0.390 25627
1759 1 4 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.179 3.395 25627
1760 1 4 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.570 1.415 25627
1761 1 4 . 1 1 33 33 ARG H H 33 9.571 9.571 8.475 1.096 25627
1762 1 4 . 1 1 34 34 ASP N N 34 105.630 105.630 114.659 -9.029 25627
1763 1 4 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.469 -0.646 25627
1764 1 4 . 1 1 34 34 ASP C C 34 174.754 174.754 176.012 -1.258 25627
1765 1 4 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.659 -0.394 25627
1766 1 4 . 1 1 34 34 ASP CB C 34 39.819 39.819 41.792 -1.973 25627
1767 1 4 . 1 1 34 34 ASP H H 34 6.995 6.995 7.556 -0.561 25627
1768 1 4 . 1 1 35 35 GLU N N 35 118.215 118.215 118.987 -0.772 25627
1769 1 4 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.738 -0.835 25627
1770 1 4 . 1 1 35 35 GLU C C 35 177.043 177.043 178.331 -1.288 25627
1771 1 4 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.136 -0.535 25627
1772 1 4 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.015 1.098 25627
1773 1 4 . 1 1 35 35 GLU H H 35 7.818 7.818 8.366 -0.548 25627
1774 1 4 . 1 1 36 36 ILE N N 36 118.404 118.404 120.300 -1.896 25627
1775 1 4 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.570 -0.149 25627
1776 1 4 . 1 1 36 36 ILE C C 36 179.143 179.143 177.741 1.402 25627
1777 1 4 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.357 -0.897 25627
1778 1 4 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.606 -1.104 25627
1779 1 4 . 1 1 36 36 ILE H H 36 6.833 6.833 7.770 -0.937 25627
1780 1 4 . 1 1 37 37 GLU N N 37 120.573 120.573 119.710 0.863 25627
1781 1 4 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.012 -0.006 25627
1782 1 4 . 1 1 37 37 GLU C C 37 178.417 178.417 178.937 -0.520 25627
1783 1 4 . 1 1 37 37 GLU CA C 37 59.424 59.424 59.629 -0.205 25627
1784 1 4 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.795 0.103 25627
1785 1 4 . 1 1 37 37 GLU H H 37 8.463 8.463 7.823 0.640 25627
1786 1 4 . 1 1 38 38 TYR N N 38 117.942 117.942 121.148 -3.206 25627
1787 1 4 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.961 -0.478 25627
1788 1 4 . 1 1 38 38 TYR C C 38 176.772 176.772 177.731 -0.959 25627
1789 1 4 . 1 1 38 38 TYR CA C 38 62.767 62.767 61.462 1.305 25627
1790 1 4 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.321 1.658 25627
1791 1 4 . 1 1 38 38 TYR H H 38 7.949 7.949 7.925 0.024 25627
1792 1 4 . 1 1 39 39 LYS N N 39 115.539 115.539 118.382 -2.843 25627
1793 1 4 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.680 -0.032 25627
1794 1 4 . 1 1 39 39 LYS C C 39 179.543 179.543 179.261 0.282 25627
1795 1 4 . 1 1 39 39 LYS CA C 39 60.647 60.647 60.034 0.613 25627
1796 1 4 . 1 1 39 39 LYS CB C 39 32.223 32.223 32.081 0.142 25627
1797 1 4 . 1 1 39 39 LYS H H 39 8.287 8.287 8.494 -0.207 25627
1798 1 4 . 1 1 40 40 GLN N N 40 118.265 118.265 118.365 -0.100 25627
1799 1 4 . 1 1 40 40 GLN HA H 40 4.011 4.011 3.990 0.021 25627
1800 1 4 . 1 1 40 40 GLN C C 40 178.263 178.263 177.848 0.415 25627
1801 1 4 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.705 0.048 25627
1802 1 4 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.741 -0.165 25627
1803 1 4 . 1 1 40 40 GLN H H 40 7.605 7.605 7.476 0.129 25627
1804 1 4 . 1 1 41 41 VAL N N 41 118.627 118.627 117.872 0.755 25627
1805 1 4 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.830 -0.068 25627
1806 1 4 . 1 1 41 41 VAL C C 41 178.092 178.092 177.684 0.408 25627
1807 1 4 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.429 0.280 25627
1808 1 4 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.991 0.651 25627
1809 1 4 . 1 1 41 41 VAL H H 41 8.470 8.470 7.727 0.743 25627
1810 1 4 . 1 1 42 42 LYS N N 42 115.117 115.117 116.511 -1.394 25627
1811 1 4 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.257 -0.007 25627
1812 1 4 . 1 1 42 42 LYS C C 42 176.102 176.102 175.993 0.109 25627
1813 1 4 . 1 1 42 42 LYS CA C 42 53.901 53.901 55.043 -1.142 25627
1814 1 4 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.529 -1.364 25627
1815 1 4 . 1 1 42 42 LYS H H 42 8.263 8.263 7.595 0.668 25627
1816 1 4 . 1 1 43 43 GLN N N 43 116.108 116.108 116.281 -0.173 25627
1817 1 4 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.964 0.004 25627
1818 1 4 . 1 1 43 43 GLN C C 43 175.125 175.125 175.096 0.029 25627
1819 1 4 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.528 0.027 25627
1820 1 4 . 1 1 43 43 GLN CB C 43 25.912 25.912 26.239 -0.327 25627
1821 1 4 . 1 1 43 43 GLN H H 43 7.717 7.717 7.943 -0.226 25627
1822 1 4 . 1 1 44 44 VAL N N 44 110.285 110.285 114.111 -3.826 25627
1823 1 4 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.449 0.109 25627
1824 1 4 . 1 1 44 44 VAL C C 44 175.431 175.431 174.126 1.305 25627
1825 1 4 . 1 1 44 44 VAL CA C 44 59.240 59.240 58.973 0.267 25627
1826 1 4 . 1 1 44 44 VAL CB C 44 34.732 34.732 34.352 0.380 25627
1827 1 4 . 1 1 44 44 VAL H H 44 6.817 6.817 7.564 -0.747 25627
1828 1 4 . 1 1 45 45 ALA N N 45 123.422 123.422 122.019 1.403 25627
1829 1 4 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.611 -0.256 25627
1830 1 4 . 1 1 45 45 ALA C C 45 177.543 177.543 176.427 1.116 25627
1831 1 4 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.442 0.379 25627
1832 1 4 . 1 1 45 45 ALA CB C 45 19.812 19.812 18.857 0.955 25627
1833 1 4 . 1 1 45 45 ALA H H 45 8.571 8.571 8.094 0.477 25627
1834 1 4 . 1 1 46 46 MET N N 46 114.808 114.808 117.044 -2.236 25627
1835 1 4 . 1 1 46 46 MET HA H 46 4.724 4.724 4.767 -0.043 25627
1836 1 4 . 1 1 46 46 MET C C 46 173.698 173.698 173.794 -0.096 25627
1837 1 4 . 1 1 46 46 MET CA C 46 54.230 54.230 54.853 -0.624 25627
1838 1 4 . 1 1 46 46 MET CB C 46 34.793 34.793 34.953 -0.161 25627
1839 1 4 . 1 1 46 46 MET H H 46 7.657 7.657 7.507 0.150 25627
1840 1 4 . 1 1 47 47 VAL N N 47 120.757 120.757 121.346 -0.589 25627
1841 1 4 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.474 -0.195 25627
1842 1 4 . 1 1 47 47 VAL C C 47 174.985 174.985 175.386 -0.401 25627
1843 1 4 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.173 -0.137 25627
1844 1 4 . 1 1 47 47 VAL CB C 47 33.826 33.826 34.533 -0.708 25627
1845 1 4 . 1 1 47 47 VAL H H 47 8.459 8.459 8.350 0.109 25627
1846 1 4 . 1 1 48 48 ASP N N 48 126.251 126.251 127.116 -0.865 25627
1847 1 4 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.655 -0.182 25627
1848 1 4 . 1 1 48 48 ASP C C 48 175.819 175.819 175.587 0.232 25627
1849 1 4 . 1 1 48 48 ASP CA C 48 55.472 55.472 55.154 0.319 25627
1850 1 4 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.548 0.586 25627
1851 1 4 . 1 1 48 48 ASP H H 48 8.929 8.929 8.677 0.252 25627
1852 1 4 . 1 1 49 49 ARG N N 49 122.995 122.995 120.592 2.403 25627
1853 1 4 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.366 -0.607 25627
1854 1 4 . 1 1 49 49 ARG C C 49 176.363 176.363 175.233 1.130 25627
1855 1 4 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.461 0.153 25627
1856 1 4 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.784 -0.314 25627
1857 1 4 . 1 1 49 49 ARG H H 49 8.534 8.534 8.209 0.325 25627
1858 1 4 . 1 1 50 50 TRP N N 50 125.191 125.191 121.754 3.437 25627
1859 1 4 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.153 -0.489 25627
1860 1 4 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.453 0.142 25627
1861 1 4 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.081 0.032 25627
1862 1 4 . 1 1 50 50 TRP H H 50 9.111 9.111 8.392 0.719 25627
1863 1 4 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.221 0.124 25627
1864 1 4 . 1 1 51 51 PRO C C 51 178.698 178.698 177.552 1.146 25627
1865 1 4 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.212 -0.638 25627
1866 1 4 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.037 0.126 25627
1867 1 4 . 1 1 52 52 GLU N N 52 116.570 116.570 118.292 -1.722 25627
1868 1 4 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.184 -0.214 25627
1869 1 4 . 1 1 52 52 GLU C C 52 178.031 178.031 177.869 0.162 25627
1870 1 4 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.814 1.944 25627
1871 1 4 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.361 0.253 25627
1872 1 4 . 1 1 52 52 GLU H H 52 9.951 9.951 8.928 1.023 25627
1873 1 4 . 1 1 53 53 THR N N 53 103.788 103.788 107.340 -3.552 25627
1874 1 4 . 1 1 53 53 THR HA H 53 4.135 4.135 4.329 -0.194 25627
1875 1 4 . 1 1 53 53 THR C C 53 175.731 175.731 175.373 0.358 25627
1876 1 4 . 1 1 53 53 THR CA C 53 60.427 60.427 62.150 -1.723 25627
1877 1 4 . 1 1 53 53 THR CB C 53 70.762 70.762 71.554 -0.792 25627
1878 1 4 . 1 1 53 53 THR H H 53 7.120 7.120 7.674 -0.554 25627
1879 1 4 . 1 1 54 54 GLY N N 54 109.195 109.195 111.660 -2.465 25627
1880 1 4 . 1 1 54 54 GLY C C 54 174.593 174.593 173.266 1.327 25627
1881 1 4 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.018 0.730 25627
1882 1 4 . 1 1 54 54 GLY H H 54 8.227 8.227 8.270 -0.043 25627
1883 1 4 . 1 1 55 55 TYR N N 55 119.038 119.038 119.748 -0.710 25627
1884 1 4 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.739 0.966 25627
1885 1 4 . 1 1 55 55 TYR C C 55 177.556 177.556 176.132 1.424 25627
1886 1 4 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.244 -3.514 25627
1887 1 4 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.456 -0.715 25627
1888 1 4 . 1 1 55 55 TYR H H 55 7.353 7.353 7.281 0.072 25627
1889 1 4 . 1 1 56 56 VAL N N 56 120.089 120.089 120.754 -0.665 25627
1890 1 4 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.067 -0.454 25627
1891 1 4 . 1 1 56 56 VAL C C 56 174.564 174.564 176.533 -1.969 25627
1892 1 4 . 1 1 56 56 VAL CA C 56 64.767 64.767 63.825 0.942 25627
1893 1 4 . 1 1 56 56 VAL CB C 56 32.767 32.767 30.727 2.040 25627
1894 1 4 . 1 1 56 56 VAL H H 56 8.252 8.252 8.653 -0.401 25627
1895 1 4 . 1 1 57 57 LYS N N 57 127.233 127.233 127.938 -0.705 25627
1896 1 4 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.837 -0.389 25627
1897 1 4 . 1 1 57 57 LYS C C 57 175.256 175.256 176.488 -1.232 25627
1898 1 4 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.134 -1.151 25627
1899 1 4 . 1 1 57 57 LYS CB C 57 35.250 35.250 34.256 0.994 25627
1900 1 4 . 1 1 57 57 LYS H H 57 9.005 9.005 9.081 -0.076 25627
1901 1 4 . 1 1 58 58 LYS N N 58 115.918 115.918 115.629 0.289 25627
1902 1 4 . 1 1 58 58 LYS HA H 58 5.370 5.370 4.854 0.516 25627
1903 1 4 . 1 1 58 58 LYS C C 58 174.030 174.030 174.697 -0.667 25627
1904 1 4 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.236 -0.382 25627
1905 1 4 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.055 -0.232 25627
1906 1 4 . 1 1 58 58 LYS H H 58 6.921 6.921 7.523 -0.602 25627
1907 1 4 . 1 1 59 59 LEU N N 59 121.666 121.666 122.047 -0.381 25627
1908 1 4 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.404 0.245 25627
1909 1 4 . 1 1 59 59 LEU C C 59 174.451 174.451 174.865 -0.414 25627
1910 1 4 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.409 -0.937 25627
1911 1 4 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.109 0.830 25627
1912 1 4 . 1 1 59 59 LEU H H 59 8.793 8.793 8.790 0.003 25627
1913 1 4 . 1 1 60 60 GLN N N 60 121.710 121.710 124.896 -3.186 25627
1914 1 4 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.496 -0.060 25627
1915 1 4 . 1 1 60 60 GLN C C 60 176.636 176.636 175.677 0.959 25627
1916 1 4 . 1 1 60 60 GLN CA C 60 54.917 54.917 56.087 -1.170 25627
1917 1 4 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.653 0.683 25627
1918 1 4 . 1 1 60 60 GLN H H 60 8.879 8.879 8.671 0.208 25627
1919 1 4 . 1 1 61 61 ARG N N 61 126.172 126.172 124.632 1.540 25627
1920 1 4 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.691 -0.148 25627
1921 1 4 . 1 1 61 61 ARG C C 61 178.315 178.315 178.115 0.200 25627
1922 1 4 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.954 1.619 25627
1923 1 4 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.992 0.909 25627
1924 1 4 . 1 1 61 61 ARG H H 61 9.387 9.387 8.615 0.772 25627
1925 1 4 . 1 1 62 62 ARG N N 62 123.754 123.754 119.064 4.690 25627
1926 1 4 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.108 -0.240 25627
1927 1 4 . 1 1 62 62 ARG C C 62 176.508 176.508 176.212 0.296 25627
1928 1 4 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.199 1.664 25627
1929 1 4 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.889 -0.425 25627
1930 1 4 . 1 1 62 62 ARG H H 62 9.385 9.385 8.683 0.702 25627
1931 1 4 . 1 1 63 63 ASP N N 63 116.155 116.155 117.008 -0.853 25627
1932 1 4 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.812 -0.381 25627
1933 1 4 . 1 1 63 63 ASP C C 63 176.163 176.163 175.550 0.613 25627
1934 1 4 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.228 -0.042 25627
1935 1 4 . 1 1 63 63 ASP CB C 63 39.756 39.756 41.018 -1.262 25627
1936 1 4 . 1 1 63 63 ASP H H 63 7.505 7.505 8.167 -0.662 25627
1937 1 4 . 1 1 64 64 ASN N N 64 110.183 110.183 114.360 -4.177 25627
1938 1 4 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.244 -0.157 25627
1939 1 4 . 1 1 64 64 ASN C C 64 175.432 175.432 173.569 1.863 25627
1940 1 4 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.434 0.996 25627
1941 1 4 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.482 -0.448 25627
1942 1 4 . 1 1 64 64 ASN H H 64 7.791 7.791 8.133 -0.342 25627
1943 1 4 . 1 1 65 65 THR N N 65 112.736 112.736 110.487 2.249 25627
1944 1 4 . 1 1 65 65 THR HA H 65 4.414 4.414 4.460 -0.046 25627
1945 1 4 . 1 1 65 65 THR C C 65 173.653 173.653 173.918 -0.265 25627
1946 1 4 . 1 1 65 65 THR CA C 65 62.342 62.342 60.286 2.056 25627
1947 1 4 . 1 1 65 65 THR CB C 65 70.946 70.946 70.371 0.576 25627
1948 1 4 . 1 1 65 65 THR H H 65 7.921 7.921 7.250 0.671 25627
1949 1 4 . 1 1 66 66 PHE N N 66 118.850 118.850 125.527 -6.677 25627
1950 1 4 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.485 0.659 25627
1951 1 4 . 1 1 66 66 PHE C C 66 174.762 174.762 175.114 -0.352 25627
1952 1 4 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.923 -0.444 25627
1953 1 4 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.085 3.178 25627
1954 1 4 . 1 1 66 66 PHE H H 66 8.926 8.926 8.756 0.170 25627
1955 1 4 . 1 1 67 67 PHE N N 67 124.259 124.259 127.124 -2.865 25627
1956 1 4 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.735 -0.071 25627
1957 1 4 . 1 1 67 67 PHE C C 67 173.553 173.553 173.194 0.359 25627
1958 1 4 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.306 -0.402 25627
1959 1 4 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.051 0.286 25627
1960 1 4 . 1 1 67 67 PHE H H 67 9.142 9.142 8.305 0.837 25627
1961 1 4 . 1 1 68 68 TYR N N 68 122.881 122.881 126.772 -3.891 25627
1962 1 4 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.582 0.289 25627
1963 1 4 . 1 1 68 68 TYR C C 68 174.835 174.835 175.290 -0.455 25627
1964 1 4 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.382 -0.989 25627
1965 1 4 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.814 1.375 25627
1966 1 4 . 1 1 68 68 TYR H H 68 8.064 8.064 8.137 -0.073 25627
1967 1 4 . 1 1 69 69 TYR N N 69 118.675 118.675 123.240 -4.565 25627
1968 1 4 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.798 0.227 25627
1969 1 4 . 1 1 69 69 TYR C C 69 177.181 177.181 175.227 1.954 25627
1970 1 4 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.229 -0.317 25627
1971 1 4 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.535 1.887 25627
1972 1 4 . 1 1 69 69 TYR H H 69 8.384 8.384 8.535 -0.151 25627
1973 1 4 . 1 1 70 70 ASN N N 70 122.917 122.917 119.149 3.768 25627
1974 1 4 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.810 -0.015 25627
1975 1 4 . 1 1 70 70 ASN C C 70 175.433 175.433 175.958 -0.525 25627
1976 1 4 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.691 0.668 25627
1977 1 4 . 1 1 70 70 ASN CB C 70 39.377 39.377 40.211 -0.834 25627
1978 1 4 . 1 1 70 70 ASN H H 70 9.832 9.832 8.697 1.135 25627
1979 1 4 . 1 1 71 71 LYS N N 71 123.116 123.116 120.048 3.068 25627
1980 1 4 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.392 -2.153 25627
1981 1 4 . 1 1 71 71 LYS C C 71 175.495 175.495 177.525 -2.030 25627
1982 1 4 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.082 0.339 25627
1983 1 4 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.163 -0.086 25627
1984 1 4 . 1 1 71 71 LYS H H 71 8.047 8.047 8.482 -0.435 25627
1985 1 4 . 1 1 72 72 GLU N N 72 113.242 113.242 121.282 -8.040 25627
1986 1 4 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.325 0.053 25627
1987 1 4 . 1 1 72 72 GLU C C 72 175.018 175.018 175.660 -0.642 25627
1988 1 4 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.773 -0.966 25627
1989 1 4 . 1 1 72 72 GLU CB C 72 30.432 30.432 27.447 2.985 25627
1990 1 4 . 1 1 72 72 GLU H H 72 7.335 7.335 8.275 -0.940 25627
1991 1 4 . 1 1 73 73 ARG N N 73 118.120 118.120 120.428 -2.308 25627
1992 1 4 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.932 -0.578 25627
1993 1 4 . 1 1 73 73 ARG C C 73 175.859 175.859 176.177 -0.318 25627
1994 1 4 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.432 0.242 25627
1995 1 4 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.098 1.036 25627
1996 1 4 . 1 1 73 73 ARG H H 73 8.174 8.174 8.267 -0.093 25627
1997 1 4 . 1 1 74 74 GLU N N 74 127.360 127.360 122.127 5.233 25627
1998 1 4 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.336 0.157 25627
1999 1 4 . 1 1 74 74 GLU C C 74 176.415 176.415 175.261 1.154 25627
2000 1 4 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.535 1.526 25627
2001 1 4 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.646 3.816 25627
2002 1 4 . 1 1 74 74 GLU H H 74 10.788 10.788 8.482 2.307 25627
2003 1 4 . 1 1 75 75 CYS N N 75 123.441 123.441 120.210 3.231 25627
2004 1 4 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.429 -0.953 25627
2005 1 4 . 1 1 75 75 CYS C C 75 174.198 174.198 173.556 0.642 25627
2006 1 4 . 1 1 75 75 CYS CA C 75 59.022 59.022 58.949 0.073 25627
2007 1 4 . 1 1 75 75 CYS CB C 75 26.222 26.222 27.908 -1.686 25627
2008 1 4 . 1 1 75 75 CYS H H 75 9.198 9.198 7.516 1.682 25627
2009 1 4 . 1 1 76 76 GLU N N 76 131.177 131.177 126.176 5.001 25627
2010 1 4 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.279 -0.284 25627
2011 1 4 . 1 1 76 76 GLU C C 76 177.122 177.122 176.175 0.947 25627
2012 1 4 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.884 1.932 25627
2013 1 4 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.020 -1.352 25627
2014 1 4 . 1 1 76 76 GLU H H 76 8.452 8.452 8.079 0.373 25627
2015 1 4 . 1 1 77 77 ASP N N 77 123.154 123.154 122.129 1.025 25627
2016 1 4 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.356 -0.020 25627
2017 1 4 . 1 1 77 77 ASP C C 77 179.545 179.545 177.615 1.930 25627
2018 1 4 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.715 0.895 25627
2019 1 4 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.473 -0.524 25627
2020 1 4 . 1 1 77 77 ASP H H 77 9.067 9.067 8.809 0.258 25627
2021 1 4 . 1 1 78 78 LYS N N 78 116.055 116.055 118.195 -2.140 25627
2022 1 4 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.022 0.276 25627
2023 1 4 . 1 1 78 78 LYS C C 78 176.146 176.146 178.870 -2.724 25627
2024 1 4 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.014 -0.530 25627
2025 1 4 . 1 1 78 78 LYS CB C 78 31.840 31.840 31.896 -0.056 25627
2026 1 4 . 1 1 78 78 LYS H H 78 8.664 8.664 8.284 0.380 25627
2027 1 4 . 1 1 79 79 GLU N N 79 117.481 117.481 119.650 -2.169 25627
2028 1 4 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.148 0.299 25627
2029 1 4 . 1 1 79 79 GLU C C 79 177.666 177.666 178.896 -1.230 25627
2030 1 4 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.550 -2.945 25627
2031 1 4 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.944 1.044 25627
2032 1 4 . 1 1 79 79 GLU H H 79 7.735 7.735 8.178 -0.443 25627
2033 1 4 . 1 1 80 80 VAL N N 80 121.192 121.192 120.188 1.004 25627
2034 1 4 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.681 -0.438 25627
2035 1 4 . 1 1 80 80 VAL C C 80 176.731 176.731 177.344 -0.613 25627
2036 1 4 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.804 0.071 25627
2037 1 4 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.287 0.886 25627
2038 1 4 . 1 1 80 80 VAL H H 80 7.274 7.274 7.550 -0.276 25627
2039 1 4 . 1 1 81 81 HIS N N 81 112.861 112.861 117.384 -4.523 25627
2040 1 4 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.345 0.303 25627
2041 1 4 . 1 1 81 81 HIS C C 81 175.330 175.330 177.998 -2.668 25627
2042 1 4 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.355 -1.608 25627
2043 1 4 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.239 -1.059 25627
2044 1 4 . 1 1 81 81 HIS H H 81 8.157 8.157 7.696 0.461 25627
2045 1 4 . 1 1 82 82 LYS N N 82 117.850 117.850 118.208 -0.358 25627
2046 1 4 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.210 -0.199 25627
2047 1 4 . 1 1 82 82 LYS C C 82 177.430 177.430 177.698 -0.268 25627
2048 1 4 . 1 1 82 82 LYS CA C 82 56.591 56.591 58.378 -1.787 25627
2049 1 4 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.970 0.113 25627
2050 1 4 . 1 1 82 82 LYS H H 82 7.264 7.264 7.636 -0.372 25627
2051 1 4 . 1 1 83 83 VAL N N 83 123.619 123.619 119.847 3.772 25627
2052 1 4 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.060 -0.180 25627
2053 1 4 . 1 1 83 83 VAL C C 83 175.239 175.239 174.368 0.871 25627
2054 1 4 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.758 1.054 25627
2055 1 4 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.745 -1.197 25627
2056 1 4 . 1 1 83 83 VAL H H 83 8.126 8.126 8.153 -0.027 25627
2057 1 4 . 1 1 84 84 LYS N N 84 128.994 128.994 126.150 2.844 25627
2058 1 4 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.736 -0.283 25627
2059 1 4 . 1 1 84 84 LYS C C 84 174.399 174.399 175.433 -1.034 25627
2060 1 4 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.540 1.277 25627
2061 1 4 . 1 1 84 84 LYS CB C 84 34.106 34.106 35.304 -1.198 25627
2062 1 4 . 1 1 84 84 LYS H H 84 9.031 9.031 8.396 0.635 25627
2063 1 4 . 1 1 85 85 VAL N N 85 120.723 120.723 121.134 -0.411 25627
2064 1 4 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.572 -0.542 25627
2065 1 4 . 1 1 85 85 VAL C C 85 175.482 175.482 174.539 0.943 25627
2066 1 4 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.140 0.502 25627
2067 1 4 . 1 1 85 85 VAL CB C 85 32.488 32.488 33.733 -1.245 25627
2068 1 4 . 1 1 85 85 VAL H H 85 8.299 8.299 9.021 -0.722 25627
2069 1 4 . 1 1 86 86 TYR N N 86 126.214 126.214 128.613 -2.399 25627
2070 1 4 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.783 -0.057 25627
2071 1 4 . 1 1 86 86 TYR C C 86 175.214 175.214 175.020 0.194 25627
2072 1 4 . 1 1 86 86 TYR CA C 86 58.540 58.540 56.426 2.114 25627
2073 1 4 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.131 1.921 25627
2074 1 4 . 1 1 86 86 TYR H H 86 8.077 8.077 8.820 -0.744 25627
2075 1 4 . 1 1 87 87 VAL N N 87 123.680 123.680 121.382 2.298 25627
2076 1 4 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.297 -0.101 25627
2077 1 4 . 1 1 87 87 VAL C C 87 174.322 174.322 174.306 0.016 25627
2078 1 4 . 1 1 87 87 VAL CA C 87 61.901 61.901 60.546 1.355 25627
2079 1 4 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.280 0.499 25627
2080 1 4 . 1 1 87 87 VAL H H 87 8.133 8.133 8.722 -0.589 25627
2081 1 5 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.570 -0.440 25627
2082 1 5 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 56.391 -1.542 25627
2083 1 5 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 29.933 1.740 25627
2084 1 5 . 1 1 0 0 MET N N 0 120.413 120.413 123.017 -2.604 25627
2085 1 5 . 1 1 0 0 MET HA H 0 4.350 4.350 4.637 -0.287 25627
2086 1 5 . 1 1 0 0 MET C C 0 175.829 175.829 174.335 1.494 25627
2087 1 5 . 1 1 0 0 MET CA C 0 55.134 55.134 55.195 -0.061 25627
2088 1 5 . 1 1 0 0 MET CB C 0 32.391 32.391 32.879 -0.488 25627
2089 1 5 . 1 1 0 0 MET H H 0 8.332 8.332 8.006 0.326 25627
2090 1 5 . 1 1 1 1 MET N N 1 121.120 121.120 117.575 3.545 25627
2091 1 5 . 1 1 1 1 MET HA H 1 4.443 4.443 4.810 -0.367 25627
2092 1 5 . 1 1 1 1 MET C C 1 175.772 175.772 174.228 1.544 25627
2093 1 5 . 1 1 1 1 MET CA C 1 55.446 55.446 54.340 1.106 25627
2094 1 5 . 1 1 1 1 MET CB C 1 32.774 32.774 35.045 -2.271 25627
2095 1 5 . 1 1 1 1 MET H H 1 8.287 8.287 7.437 0.850 25627
2096 1 5 . 1 1 2 2 ALA N N 2 125.673 125.673 124.573 1.100 25627
2097 1 5 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.540 -0.173 25627
2098 1 5 . 1 1 2 2 ALA C C 2 177.821 177.821 177.393 0.428 25627
2099 1 5 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.518 0.050 25627
2100 1 5 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.558 -0.321 25627
2101 1 5 . 1 1 2 2 ALA H H 2 8.373 8.373 8.319 0.054 25627
2102 1 5 . 1 1 3 3 THR N N 3 113.038 113.038 113.067 -0.029 25627
2103 1 5 . 1 1 3 3 THR HA H 3 4.354 4.354 4.364 -0.010 25627
2104 1 5 . 1 1 3 3 THR C C 3 174.577 174.577 174.941 -0.364 25627
2105 1 5 . 1 1 3 3 THR CA C 3 61.679 61.679 62.185 -0.506 25627
2106 1 5 . 1 1 3 3 THR CB C 3 69.864 69.864 69.207 0.658 25627
2107 1 5 . 1 1 3 3 THR H H 3 8.099 8.099 8.119 -0.020 25627
2108 1 5 . 1 1 4 4 SER N N 4 117.235 117.235 118.701 -1.466 25627
2109 1 5 . 1 1 4 4 SER HA H 4 4.440 4.440 4.488 -0.048 25627
2110 1 5 . 1 1 4 4 SER C C 4 173.887 173.887 174.615 -0.728 25627
2111 1 5 . 1 1 4 4 SER CA C 4 58.314 58.314 58.750 -0.436 25627
2112 1 5 . 1 1 4 4 SER CB C 4 63.951 63.951 64.037 -0.086 25627
2113 1 5 . 1 1 4 4 SER H H 4 8.238 8.238 7.829 0.409 25627
2114 1 5 . 1 1 5 5 ASP N N 5 122.543 122.543 122.230 0.313 25627
2115 1 5 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.755 -0.172 25627
2116 1 5 . 1 1 5 5 ASP C C 5 175.690 175.690 175.224 0.466 25627
2117 1 5 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.550 0.596 25627
2118 1 5 . 1 1 5 5 ASP CB C 5 41.166 41.166 42.227 -1.061 25627
2119 1 5 . 1 1 5 5 ASP H H 5 8.321 8.321 8.431 -0.110 25627
2120 1 5 . 1 1 6 6 VAL N N 6 121.235 121.235 120.659 0.576 25627
2121 1 5 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.270 -0.172 25627
2122 1 5 . 1 1 6 6 VAL C C 6 175.211 175.211 175.449 -0.238 25627
2123 1 5 . 1 1 6 6 VAL CA C 6 62.322 62.322 61.863 0.459 25627
2124 1 5 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.387 0.194 25627
2125 1 5 . 1 1 6 6 VAL H H 6 7.942 7.942 8.401 -0.459 25627
2126 1 5 . 1 1 7 7 LYS N N 7 125.356 125.356 130.037 -4.681 25627
2127 1 5 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.184 -0.873 25627
2128 1 5 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.506 1.988 25627
2129 1 5 . 1 1 7 7 LYS H H 7 8.383 8.383 8.468 -0.085 25627
2130 1 5 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.572 -0.613 25627
2131 1 5 . 1 1 8 8 PRO C C 8 176.346 176.346 176.212 0.134 25627
2132 1 5 . 1 1 8 8 PRO CA C 8 62.993 62.993 62.871 0.122 25627
2133 1 5 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.565 -0.562 25627
2134 1 5 . 1 1 9 9 LYS N N 9 122.609 122.609 119.942 2.667 25627
2135 1 5 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.444 -0.157 25627
2136 1 5 . 1 1 9 9 LYS C C 9 177.164 177.164 177.002 0.162 25627
2137 1 5 . 1 1 9 9 LYS CA C 9 57.222 57.222 56.939 0.283 25627
2138 1 5 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.578 0.385 25627
2139 1 5 . 1 1 9 9 LYS H H 9 9.393 9.393 8.498 0.895 25627
2140 1 5 . 1 1 10 10 SER N N 10 111.655 111.655 113.852 -2.197 25627
2141 1 5 . 1 1 10 10 SER HA H 10 4.563 4.563 4.790 -0.227 25627
2142 1 5 . 1 1 10 10 SER C C 10 171.697 171.697 172.271 -0.574 25627
2143 1 5 . 1 1 10 10 SER CA C 10 57.614 57.614 58.118 -0.504 25627
2144 1 5 . 1 1 10 10 SER CB C 10 64.687 64.687 66.467 -1.780 25627
2145 1 5 . 1 1 10 10 SER H H 10 7.846 7.846 7.791 0.055 25627
2146 1 5 . 1 1 11 11 ILE N N 11 121.054 121.054 121.484 -0.430 25627
2147 1 5 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.731 -0.200 25627
2148 1 5 . 1 1 11 11 ILE C C 11 175.460 175.460 175.308 0.152 25627
2149 1 5 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.748 0.046 25627
2150 1 5 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.578 -0.473 25627
2151 1 5 . 1 1 11 11 ILE H H 11 8.128 8.128 8.516 -0.388 25627
2152 1 5 . 1 1 12 12 SER N N 12 122.340 122.340 121.947 0.393 25627
2153 1 5 . 1 1 12 12 SER HA H 12 4.757 4.757 4.958 -0.201 25627
2154 1 5 . 1 1 12 12 SER C C 12 172.771 172.771 172.927 -0.156 25627
2155 1 5 . 1 1 12 12 SER CA C 12 56.498 56.498 55.793 0.705 25627
2156 1 5 . 1 1 12 12 SER CB C 12 65.418 65.418 65.177 0.242 25627
2157 1 5 . 1 1 12 12 SER H H 12 8.782 8.782 9.105 -0.323 25627
2158 1 5 . 1 1 13 13 ARG N N 13 119.603 119.603 121.188 -1.585 25627
2159 1 5 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.503 0.373 25627
2160 1 5 . 1 1 13 13 ARG C C 13 176.720 176.720 175.854 0.866 25627
2161 1 5 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.144 0.164 25627
2162 1 5 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.351 0.403 25627
2163 1 5 . 1 1 13 13 ARG H H 13 8.374 8.374 8.519 -0.145 25627
2164 1 5 . 1 1 14 14 ALA N N 14 127.004 127.004 128.613 -1.609 25627
2165 1 5 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.279 -0.169 25627
2166 1 5 . 1 1 14 14 ALA C C 14 176.523 176.523 176.937 -0.414 25627
2167 1 5 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.656 -0.114 25627
2168 1 5 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.744 0.343 25627
2169 1 5 . 1 1 14 14 ALA H H 14 8.725 8.725 8.250 0.475 25627
2170 1 5 . 1 1 15 15 LYS N N 15 117.157 117.157 120.742 -3.585 25627
2171 1 5 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.380 -0.008 25627
2172 1 5 . 1 1 15 15 LYS C C 15 176.383 176.383 176.543 -0.160 25627
2173 1 5 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.658 -1.032 25627
2174 1 5 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.010 1.600 25627
2175 1 5 . 1 1 15 15 LYS H H 15 8.518 8.518 8.691 -0.173 25627
2176 1 5 . 1 1 16 16 LYS N N 16 116.265 116.265 117.449 -1.184 25627
2177 1 5 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.548 0.027 25627
2178 1 5 . 1 1 16 16 LYS C C 16 174.584 174.584 174.667 -0.083 25627
2179 1 5 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.389 0.305 25627
2180 1 5 . 1 1 16 16 LYS CB C 16 35.604 35.604 35.019 0.585 25627
2181 1 5 . 1 1 16 16 LYS H H 16 7.429 7.429 7.645 -0.216 25627
2182 1 5 . 1 1 17 17 TRP N N 17 123.638 123.638 121.423 2.215 25627
2183 1 5 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.693 -0.908 25627
2184 1 5 . 1 1 17 17 TRP C C 17 174.781 174.781 174.991 -0.210 25627
2185 1 5 . 1 1 17 17 TRP CA C 17 61.877 61.877 57.673 4.204 25627
2186 1 5 . 1 1 17 17 TRP CB C 17 28.921 28.921 30.197 -1.276 25627
2187 1 5 . 1 1 17 17 TRP H H 17 9.412 9.412 8.549 0.863 25627
2188 1 5 . 1 1 18 18 SER N N 18 119.926 119.926 119.041 0.885 25627
2189 1 5 . 1 1 18 18 SER HA H 18 3.831 3.831 3.731 0.100 25627
2190 1 5 . 1 1 18 18 SER C C 18 172.100 172.100 173.780 -1.680 25627
2191 1 5 . 1 1 18 18 SER CA C 18 56.830 56.830 56.374 0.456 25627
2192 1 5 . 1 1 18 18 SER CB C 18 66.241 66.241 65.548 0.693 25627
2193 1 5 . 1 1 18 18 SER H H 18 6.081 6.081 7.704 -1.623 25627
2194 1 5 . 1 1 19 19 GLU N N 19 120.673 120.673 122.136 -1.463 25627
2195 1 5 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.962 -0.315 25627
2196 1 5 . 1 1 19 19 GLU C C 19 177.682 177.682 178.085 -0.403 25627
2197 1 5 . 1 1 19 19 GLU CA C 19 60.579 60.579 60.162 0.417 25627
2198 1 5 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.372 -0.749 25627
2199 1 5 . 1 1 19 19 GLU H H 19 9.355 9.355 8.671 0.684 25627
2200 1 5 . 1 1 20 20 GLU N N 20 117.979 117.979 117.723 0.256 25627
2201 1 5 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.073 0.151 25627
2202 1 5 . 1 1 20 20 GLU C C 20 179.454 179.454 178.600 0.854 25627
2203 1 5 . 1 1 20 20 GLU CA C 20 59.251 59.251 59.015 0.236 25627
2204 1 5 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.288 0.427 25627
2205 1 5 . 1 1 20 20 GLU H H 20 7.946 7.946 7.617 0.329 25627
2206 1 5 . 1 1 21 21 ILE N N 21 121.560 121.560 120.291 1.269 25627
2207 1 5 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.942 -0.165 25627
2208 1 5 . 1 1 21 21 ILE C C 21 176.700 176.700 178.076 -1.376 25627
2209 1 5 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.633 -0.655 25627
2210 1 5 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.778 -0.684 25627
2211 1 5 . 1 1 21 21 ILE H H 21 7.122 7.122 8.040 -0.918 25627
2212 1 5 . 1 1 22 22 GLU N N 22 121.372 121.372 120.650 0.722 25627
2213 1 5 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.995 0.004 25627
2214 1 5 . 1 1 22 22 GLU C C 22 178.416 178.416 178.959 -0.543 25627
2215 1 5 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.001 -0.983 25627
2216 1 5 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.485 -1.333 25627
2217 1 5 . 1 1 22 22 GLU H H 22 8.017 8.017 8.194 -0.177 25627
2218 1 5 . 1 1 23 23 ASN N N 23 114.717 114.717 117.801 -3.084 25627
2219 1 5 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.628 0.109 25627
2220 1 5 . 1 1 23 23 ASN C C 23 177.565 177.565 177.732 -0.167 25627
2221 1 5 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.361 0.003 25627
2222 1 5 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.624 0.182 25627
2223 1 5 . 1 1 23 23 ASN H H 23 7.352 7.352 7.843 -0.491 25627
2224 1 5 . 1 1 24 24 LEU N N 24 122.083 122.083 120.925 1.158 25627
2225 1 5 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.981 0.422 25627
2226 1 5 . 1 1 24 24 LEU C C 24 178.487 178.487 179.078 -0.591 25627
2227 1 5 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.183 1.314 25627
2228 1 5 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.908 0.327 25627
2229 1 5 . 1 1 24 24 LEU H H 24 8.232 8.232 7.696 0.536 25627
2230 1 5 . 1 1 25 25 TYR N N 25 118.898 118.898 119.995 -1.097 25627
2231 1 5 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.150 -0.075 25627
2232 1 5 . 1 1 25 25 TYR C C 25 177.164 177.164 177.588 -0.424 25627
2233 1 5 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.402 0.139 25627
2234 1 5 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.329 -0.795 25627
2235 1 5 . 1 1 25 25 TYR H H 25 9.056 9.056 8.664 0.393 25627
2236 1 5 . 1 1 26 26 ARG N N 26 119.000 119.000 118.791 0.209 25627
2237 1 5 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.500 -0.142 25627
2238 1 5 . 1 1 26 26 ARG C C 26 179.709 179.709 178.828 0.881 25627
2239 1 5 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.467 0.802 25627
2240 1 5 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.564 -0.970 25627
2241 1 5 . 1 1 26 26 ARG H H 26 7.672 7.672 7.749 -0.077 25627
2242 1 5 . 1 1 27 27 PHE N N 27 119.640 119.640 119.678 -0.038 25627
2243 1 5 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.135 -0.265 25627
2244 1 5 . 1 1 27 27 PHE C C 27 178.542 178.542 177.980 0.562 25627
2245 1 5 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.535 1.897 25627
2246 1 5 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.682 -0.722 25627
2247 1 5 . 1 1 27 27 PHE H H 27 8.497 8.497 8.618 -0.121 25627
2248 1 5 . 1 1 28 28 GLN N N 28 120.400 120.400 118.984 1.416 25627
2249 1 5 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.060 0.665 25627
2250 1 5 . 1 1 28 28 GLN C C 28 182.258 182.258 178.491 3.767 25627
2251 1 5 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.700 0.263 25627
2252 1 5 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.585 -1.824 25627
2253 1 5 . 1 1 28 28 GLN H H 28 8.995 8.995 8.624 0.371 25627
2254 1 5 . 1 1 29 29 GLN N N 29 122.649 122.649 117.990 4.659 25627
2255 1 5 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.817 0.139 25627
2256 1 5 . 1 1 29 29 GLN C C 29 177.046 177.046 178.147 -1.101 25627
2257 1 5 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.194 0.035 25627
2258 1 5 . 1 1 29 29 GLN CB C 29 29.211 29.211 27.814 1.397 25627
2259 1 5 . 1 1 29 29 GLN H H 29 8.728 8.728 8.062 0.666 25627
2260 1 5 . 1 1 30 30 ALA N N 30 117.672 117.672 116.599 1.073 25627
2261 1 5 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.906 0.223 25627
2262 1 5 . 1 1 30 30 ALA C C 30 175.371 175.371 176.878 -1.507 25627
2263 1 5 . 1 1 30 30 ALA CA C 30 52.212 52.212 53.114 -0.902 25627
2264 1 5 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.621 0.575 25627
2265 1 5 . 1 1 30 30 ALA H H 30 7.120 7.120 8.143 -1.023 25627
2266 1 5 . 1 1 31 31 GLY N N 31 103.200 103.200 102.829 0.371 25627
2267 1 5 . 1 1 31 31 GLY C C 31 173.625 173.625 173.845 -0.220 25627
2268 1 5 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.459 0.848 25627
2269 1 5 . 1 1 31 31 GLY H H 31 7.474 7.474 7.481 -0.007 25627
2270 1 5 . 1 1 32 32 TYR N N 32 121.303 121.303 119.599 1.704 25627
2271 1 5 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.776 0.161 25627
2272 1 5 . 1 1 32 32 TYR C C 32 174.419 174.419 175.909 -1.490 25627
2273 1 5 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.368 0.844 25627
2274 1 5 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.354 2.060 25627
2275 1 5 . 1 1 32 32 TYR H H 32 8.403 8.403 7.842 0.561 25627
2276 1 5 . 1 1 33 33 ARG N N 33 118.245 118.245 119.586 -1.341 25627
2277 1 5 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.944 0.007 25627
2278 1 5 . 1 1 33 33 ARG C C 33 175.618 175.618 175.221 0.397 25627
2279 1 5 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.022 3.552 25627
2280 1 5 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.443 1.542 25627
2281 1 5 . 1 1 33 33 ARG H H 33 9.571 9.571 8.686 0.885 25627
2282 1 5 . 1 1 34 34 ASP N N 34 105.630 105.630 115.285 -9.655 25627
2283 1 5 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.340 -0.517 25627
2284 1 5 . 1 1 34 34 ASP C C 34 174.754 174.754 175.741 -0.987 25627
2285 1 5 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.564 -0.299 25627
2286 1 5 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.941 -3.122 25627
2287 1 5 . 1 1 34 34 ASP H H 34 6.995 6.995 7.637 -0.642 25627
2288 1 5 . 1 1 35 35 GLU N N 35 118.215 118.215 119.649 -1.434 25627
2289 1 5 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.703 -0.800 25627
2290 1 5 . 1 1 35 35 GLU C C 35 177.043 177.043 178.699 -1.656 25627
2291 1 5 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.647 -1.046 25627
2292 1 5 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.440 0.673 25627
2293 1 5 . 1 1 35 35 GLU H H 35 7.818 7.818 8.278 -0.460 25627
2294 1 5 . 1 1 36 36 ILE N N 36 118.404 118.404 118.727 -0.323 25627
2295 1 5 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.598 -0.177 25627
2296 1 5 . 1 1 36 36 ILE C C 36 179.143 179.143 177.981 1.162 25627
2297 1 5 . 1 1 36 36 ILE CA C 36 64.460 64.460 63.892 0.568 25627
2298 1 5 . 1 1 36 36 ILE CB C 36 36.502 36.502 36.381 0.121 25627
2299 1 5 . 1 1 36 36 ILE H H 36 6.833 6.833 7.583 -0.750 25627
2300 1 5 . 1 1 37 37 GLU N N 37 120.573 120.573 119.801 0.772 25627
2301 1 5 . 1 1 37 37 GLU HA H 37 4.006 4.006 3.952 0.054 25627
2302 1 5 . 1 1 37 37 GLU C C 37 178.417 178.417 178.469 -0.052 25627
2303 1 5 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.924 0.500 25627
2304 1 5 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.044 0.854 25627
2305 1 5 . 1 1 37 37 GLU H H 37 8.463 8.463 7.955 0.508 25627
2306 1 5 . 1 1 38 38 TYR N N 38 117.942 117.942 120.772 -2.830 25627
2307 1 5 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.181 0.302 25627
2308 1 5 . 1 1 38 38 TYR C C 38 176.772 176.772 177.409 -0.637 25627
2309 1 5 . 1 1 38 38 TYR CA C 38 62.767 62.767 61.219 1.548 25627
2310 1 5 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.419 1.560 25627
2311 1 5 . 1 1 38 38 TYR H H 38 7.949 7.949 7.742 0.207 25627
2312 1 5 . 1 1 39 39 LYS N N 39 115.539 115.539 118.089 -2.550 25627
2313 1 5 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.586 0.062 25627
2314 1 5 . 1 1 39 39 LYS C C 39 179.543 179.543 178.822 0.721 25627
2315 1 5 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.913 0.734 25627
2316 1 5 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.941 0.282 25627
2317 1 5 . 1 1 39 39 LYS H H 39 8.287 8.287 8.486 -0.199 25627
2318 1 5 . 1 1 40 40 GLN N N 40 118.265 118.265 119.401 -1.136 25627
2319 1 5 . 1 1 40 40 GLN HA H 40 4.011 4.011 3.971 0.040 25627
2320 1 5 . 1 1 40 40 GLN C C 40 178.263 178.263 178.110 0.153 25627
2321 1 5 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.751 0.002 25627
2322 1 5 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.581 -0.005 25627
2323 1 5 . 1 1 40 40 GLN H H 40 7.605 7.605 7.485 0.120 25627
2324 1 5 . 1 1 41 41 VAL N N 41 118.627 118.627 119.053 -0.426 25627
2325 1 5 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.641 0.121 25627
2326 1 5 . 1 1 41 41 VAL C C 41 178.092 178.092 177.606 0.486 25627
2327 1 5 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.472 0.237 25627
2328 1 5 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.846 0.796 25627
2329 1 5 . 1 1 41 41 VAL H H 41 8.470 8.470 7.526 0.944 25627
2330 1 5 . 1 1 42 42 LYS N N 42 115.117 115.117 116.671 -1.554 25627
2331 1 5 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.276 -0.026 25627
2332 1 5 . 1 1 42 42 LYS C C 42 176.102 176.102 175.680 0.422 25627
2333 1 5 . 1 1 42 42 LYS CA C 42 53.901 53.901 55.189 -1.288 25627
2334 1 5 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.285 -1.120 25627
2335 1 5 . 1 1 42 42 LYS H H 42 8.263 8.263 7.317 0.946 25627
2336 1 5 . 1 1 43 43 GLN N N 43 116.108 116.108 116.422 -0.314 25627
2337 1 5 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.930 0.038 25627
2338 1 5 . 1 1 43 43 GLN C C 43 175.125 175.125 175.054 0.071 25627
2339 1 5 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.501 0.054 25627
2340 1 5 . 1 1 43 43 GLN CB C 43 25.912 25.912 26.323 -0.411 25627
2341 1 5 . 1 1 43 43 GLN H H 43 7.717 7.717 7.841 -0.124 25627
2342 1 5 . 1 1 44 44 VAL N N 44 110.285 110.285 114.257 -3.972 25627
2343 1 5 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.433 0.125 25627
2344 1 5 . 1 1 44 44 VAL C C 44 175.431 175.431 174.041 1.390 25627
2345 1 5 . 1 1 44 44 VAL CA C 44 59.240 59.240 58.998 0.242 25627
2346 1 5 . 1 1 44 44 VAL CB C 44 34.732 34.732 34.364 0.368 25627
2347 1 5 . 1 1 44 44 VAL H H 44 6.817 6.817 7.587 -0.770 25627
2348 1 5 . 1 1 45 45 ALA N N 45 123.422 123.422 122.268 1.154 25627
2349 1 5 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.562 -0.207 25627
2350 1 5 . 1 1 45 45 ALA C C 45 177.543 177.543 176.673 0.870 25627
2351 1 5 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.190 0.631 25627
2352 1 5 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.227 0.585 25627
2353 1 5 . 1 1 45 45 ALA H H 45 8.571 8.571 8.056 0.515 25627
2354 1 5 . 1 1 46 46 MET N N 46 114.808 114.808 119.636 -4.828 25627
2355 1 5 . 1 1 46 46 MET HA H 46 4.724 4.724 4.683 0.041 25627
2356 1 5 . 1 1 46 46 MET C C 46 173.698 173.698 174.269 -0.571 25627
2357 1 5 . 1 1 46 46 MET CA C 46 54.230 54.230 55.074 -0.844 25627
2358 1 5 . 1 1 46 46 MET CB C 46 34.793 34.793 35.637 -0.844 25627
2359 1 5 . 1 1 46 46 MET H H 46 7.657 7.657 7.773 -0.116 25627
2360 1 5 . 1 1 47 47 VAL N N 47 120.757 120.757 123.870 -3.113 25627
2361 1 5 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.384 -0.105 25627
2362 1 5 . 1 1 47 47 VAL C C 47 174.985 174.985 175.172 -0.187 25627
2363 1 5 . 1 1 47 47 VAL CA C 47 61.036 61.036 60.632 0.404 25627
2364 1 5 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.134 0.692 25627
2365 1 5 . 1 1 47 47 VAL H H 47 8.459 8.459 8.633 -0.174 25627
2366 1 5 . 1 1 48 48 ASP N N 48 126.251 126.251 127.464 -1.213 25627
2367 1 5 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.569 -0.096 25627
2368 1 5 . 1 1 48 48 ASP C C 48 175.819 175.819 175.497 0.322 25627
2369 1 5 . 1 1 48 48 ASP CA C 48 55.472 55.472 55.057 0.415 25627
2370 1 5 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.526 0.608 25627
2371 1 5 . 1 1 48 48 ASP H H 48 8.929 8.929 8.658 0.271 25627
2372 1 5 . 1 1 49 49 ARG N N 49 122.995 122.995 121.571 1.424 25627
2373 1 5 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.225 -0.466 25627
2374 1 5 . 1 1 49 49 ARG C C 49 176.363 176.363 175.879 0.484 25627
2375 1 5 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.841 -0.227 25627
2376 1 5 . 1 1 49 49 ARG CB C 49 34.470 34.470 35.396 -0.926 25627
2377 1 5 . 1 1 49 49 ARG H H 49 8.534 8.534 8.117 0.417 25627
2378 1 5 . 1 1 50 50 TRP N N 50 125.191 125.191 122.992 2.199 25627
2379 1 5 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.055 -0.391 25627
2380 1 5 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.743 -0.148 25627
2381 1 5 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.308 -0.195 25627
2382 1 5 . 1 1 50 50 TRP H H 50 9.111 9.111 8.500 0.611 25627
2383 1 5 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.238 0.107 25627
2384 1 5 . 1 1 51 51 PRO C C 51 178.698 178.698 177.479 1.219 25627
2385 1 5 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.364 -0.790 25627
2386 1 5 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.074 0.089 25627
2387 1 5 . 1 1 52 52 GLU N N 52 116.570 116.570 118.536 -1.966 25627
2388 1 5 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.193 -0.223 25627
2389 1 5 . 1 1 52 52 GLU C C 52 178.031 178.031 177.875 0.156 25627
2390 1 5 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.738 2.020 25627
2391 1 5 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.759 -0.145 25627
2392 1 5 . 1 1 52 52 GLU H H 52 9.951 9.951 9.060 0.891 25627
2393 1 5 . 1 1 53 53 THR N N 53 103.788 103.788 107.779 -3.991 25627
2394 1 5 . 1 1 53 53 THR HA H 53 4.135 4.135 4.501 -0.366 25627
2395 1 5 . 1 1 53 53 THR C C 53 175.731 175.731 175.309 0.422 25627
2396 1 5 . 1 1 53 53 THR CA C 53 60.427 60.427 62.273 -1.846 25627
2397 1 5 . 1 1 53 53 THR CB C 53 70.762 70.762 71.441 -0.678 25627
2398 1 5 . 1 1 53 53 THR H H 53 7.120 7.120 7.727 -0.607 25627
2399 1 5 . 1 1 54 54 GLY N N 54 109.195 109.195 110.368 -1.173 25627
2400 1 5 . 1 1 54 54 GLY C C 54 174.593 174.593 174.015 0.578 25627
2401 1 5 . 1 1 54 54 GLY CA C 54 45.748 45.748 44.944 0.804 25627
2402 1 5 . 1 1 54 54 GLY H H 54 8.227 8.227 8.197 0.030 25627
2403 1 5 . 1 1 55 55 TYR N N 55 119.038 119.038 119.344 -0.306 25627
2404 1 5 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.593 1.112 25627
2405 1 5 . 1 1 55 55 TYR C C 55 177.556 177.556 176.235 1.321 25627
2406 1 5 . 1 1 55 55 TYR CA C 55 53.730 53.730 58.098 -4.368 25627
2407 1 5 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.487 -0.746 25627
2408 1 5 . 1 1 55 55 TYR H H 55 7.353 7.353 7.410 -0.057 25627
2409 1 5 . 1 1 56 56 VAL N N 56 120.089 120.089 121.210 -1.121 25627
2410 1 5 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.217 -0.604 25627
2411 1 5 . 1 1 56 56 VAL C C 56 174.564 174.564 176.889 -2.325 25627
2412 1 5 . 1 1 56 56 VAL CA C 56 64.767 64.767 63.732 1.035 25627
2413 1 5 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.029 1.738 25627
2414 1 5 . 1 1 56 56 VAL H H 56 8.252 8.252 8.620 -0.368 25627
2415 1 5 . 1 1 57 57 LYS N N 57 127.233 127.233 128.536 -1.303 25627
2416 1 5 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.716 -0.268 25627
2417 1 5 . 1 1 57 57 LYS C C 57 175.256 175.256 176.278 -1.022 25627
2418 1 5 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.521 -1.538 25627
2419 1 5 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.806 1.444 25627
2420 1 5 . 1 1 57 57 LYS H H 57 9.005 9.005 8.688 0.317 25627
2421 1 5 . 1 1 58 58 LYS N N 58 115.918 115.918 114.616 1.302 25627
2422 1 5 . 1 1 58 58 LYS HA H 58 5.370 5.370 4.782 0.588 25627
2423 1 5 . 1 1 58 58 LYS C C 58 174.030 174.030 174.623 -0.593 25627
2424 1 5 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.238 -0.384 25627
2425 1 5 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.057 -0.234 25627
2426 1 5 . 1 1 58 58 LYS H H 58 6.921 6.921 7.651 -0.730 25627
2427 1 5 . 1 1 59 59 LEU N N 59 121.666 121.666 120.920 0.746 25627
2428 1 5 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.698 -0.049 25627
2429 1 5 . 1 1 59 59 LEU C C 59 174.451 174.451 174.874 -0.423 25627
2430 1 5 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.253 -0.781 25627
2431 1 5 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.890 0.049 25627
2432 1 5 . 1 1 59 59 LEU H H 59 8.793 8.793 8.847 -0.054 25627
2433 1 5 . 1 1 60 60 GLN N N 60 121.710 121.710 123.015 -1.305 25627
2434 1 5 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.527 -0.091 25627
2435 1 5 . 1 1 60 60 GLN C C 60 176.636 176.636 175.363 1.273 25627
2436 1 5 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.514 -0.597 25627
2437 1 5 . 1 1 60 60 GLN CB C 60 30.336 30.336 30.029 0.307 25627
2438 1 5 . 1 1 60 60 GLN H H 60 8.879 8.879 8.820 0.059 25627
2439 1 5 . 1 1 61 61 ARG N N 61 126.172 126.172 124.008 2.164 25627
2440 1 5 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.341 0.202 25627
2441 1 5 . 1 1 61 61 ARG C C 61 178.315 178.315 177.831 0.484 25627
2442 1 5 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.761 1.812 25627
2443 1 5 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.886 1.015 25627
2444 1 5 . 1 1 61 61 ARG H H 61 9.387 9.387 8.509 0.878 25627
2445 1 5 . 1 1 62 62 ARG N N 62 123.754 123.754 120.125 3.629 25627
2446 1 5 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.103 -0.235 25627
2447 1 5 . 1 1 62 62 ARG C C 62 176.508 176.508 176.376 0.132 25627
2448 1 5 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.009 1.854 25627
2449 1 5 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.814 -0.350 25627
2450 1 5 . 1 1 62 62 ARG H H 62 9.385 9.385 8.348 1.037 25627
2451 1 5 . 1 1 63 63 ASP N N 63 116.155 116.155 117.987 -1.832 25627
2452 1 5 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.680 -0.249 25627
2453 1 5 . 1 1 63 63 ASP C C 63 176.163 176.163 175.553 0.610 25627
2454 1 5 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.670 -0.484 25627
2455 1 5 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.150 -0.394 25627
2456 1 5 . 1 1 63 63 ASP H H 63 7.505 7.505 8.196 -0.691 25627
2457 1 5 . 1 1 64 64 ASN N N 64 110.183 110.183 112.428 -2.245 25627
2458 1 5 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.217 -0.130 25627
2459 1 5 . 1 1 64 64 ASN C C 64 175.432 175.432 173.604 1.828 25627
2460 1 5 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.666 0.764 25627
2461 1 5 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.353 -0.319 25627
2462 1 5 . 1 1 64 64 ASN H H 64 7.791 7.791 8.324 -0.533 25627
2463 1 5 . 1 1 65 65 THR N N 65 112.736 112.736 111.302 1.434 25627
2464 1 5 . 1 1 65 65 THR HA H 65 4.414 4.414 4.264 0.150 25627
2465 1 5 . 1 1 65 65 THR C C 65 173.653 173.653 174.178 -0.525 25627
2466 1 5 . 1 1 65 65 THR CA C 65 62.342 62.342 61.603 0.739 25627
2467 1 5 . 1 1 65 65 THR CB C 65 70.946 70.946 69.122 1.824 25627
2468 1 5 . 1 1 65 65 THR H H 65 7.921 7.921 7.416 0.505 25627
2469 1 5 . 1 1 66 66 PHE N N 66 118.850 118.850 125.304 -6.454 25627
2470 1 5 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.383 0.761 25627
2471 1 5 . 1 1 66 66 PHE C C 66 174.762 174.762 175.204 -0.442 25627
2472 1 5 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.922 -0.443 25627
2473 1 5 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.543 2.720 25627
2474 1 5 . 1 1 66 66 PHE H H 66 8.926 8.926 8.779 0.147 25627
2475 1 5 . 1 1 67 67 PHE N N 67 124.259 124.259 126.453 -2.194 25627
2476 1 5 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.786 -0.122 25627
2477 1 5 . 1 1 67 67 PHE C C 67 173.553 173.553 173.165 0.388 25627
2478 1 5 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.392 -0.489 25627
2479 1 5 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.310 0.027 25627
2480 1 5 . 1 1 67 67 PHE H H 67 9.142 9.142 8.942 0.200 25627
2481 1 5 . 1 1 68 68 TYR N N 68 122.881 122.881 126.294 -3.413 25627
2482 1 5 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.365 0.506 25627
2483 1 5 . 1 1 68 68 TYR C C 68 174.835 174.835 175.015 -0.180 25627
2484 1 5 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.789 -1.396 25627
2485 1 5 . 1 1 68 68 TYR CB C 68 40.189 40.189 39.097 1.092 25627
2486 1 5 . 1 1 68 68 TYR H H 68 8.064 8.064 8.175 -0.111 25627
2487 1 5 . 1 1 69 69 TYR N N 69 118.675 118.675 122.236 -3.561 25627
2488 1 5 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.769 0.256 25627
2489 1 5 . 1 1 69 69 TYR C C 69 177.181 177.181 174.665 2.516 25627
2490 1 5 . 1 1 69 69 TYR CA C 69 56.912 56.912 56.796 0.116 25627
2491 1 5 . 1 1 69 69 TYR CB C 69 43.423 43.423 42.556 0.867 25627
2492 1 5 . 1 1 69 69 TYR H H 69 8.384 8.384 9.047 -0.663 25627
2493 1 5 . 1 1 70 70 ASN N N 70 122.917 122.917 119.520 3.397 25627
2494 1 5 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.964 -0.169 25627
2495 1 5 . 1 1 70 70 ASN C C 70 175.433 175.433 176.395 -0.962 25627
2496 1 5 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.477 0.882 25627
2497 1 5 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.826 -0.449 25627
2498 1 5 . 1 1 70 70 ASN H H 70 9.832 9.832 8.651 1.181 25627
2499 1 5 . 1 1 71 71 LYS N N 71 123.116 123.116 120.993 2.123 25627
2500 1 5 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.099 -1.860 25627
2501 1 5 . 1 1 71 71 LYS C C 71 175.495 175.495 177.224 -1.729 25627
2502 1 5 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.236 0.185 25627
2503 1 5 . 1 1 71 71 LYS CB C 71 32.077 32.077 31.956 0.121 25627
2504 1 5 . 1 1 71 71 LYS H H 71 8.047 8.047 8.528 -0.481 25627
2505 1 5 . 1 1 72 72 GLU N N 72 113.242 113.242 119.970 -6.728 25627
2506 1 5 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.198 0.180 25627
2507 1 5 . 1 1 72 72 GLU C C 72 175.018 175.018 175.289 -0.271 25627
2508 1 5 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.268 -0.461 25627
2509 1 5 . 1 1 72 72 GLU CB C 72 30.432 30.432 31.004 -0.572 25627
2510 1 5 . 1 1 72 72 GLU H H 72 7.335 7.335 7.864 -0.529 25627
2511 1 5 . 1 1 73 73 ARG N N 73 118.120 118.120 123.019 -4.899 25627
2512 1 5 . 1 1 73 73 ARG HA H 73 3.354 3.354 4.157 -0.803 25627
2513 1 5 . 1 1 73 73 ARG C C 73 175.859 175.859 176.200 -0.341 25627
2514 1 5 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.447 0.227 25627
2515 1 5 . 1 1 73 73 ARG CB C 73 31.134 31.134 29.857 1.277 25627
2516 1 5 . 1 1 73 73 ARG H H 73 8.174 8.174 8.514 -0.340 25627
2517 1 5 . 1 1 74 74 GLU N N 74 127.360 127.360 123.250 4.110 25627
2518 1 5 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.362 0.131 25627
2519 1 5 . 1 1 74 74 GLU C C 74 176.415 176.415 175.779 0.636 25627
2520 1 5 . 1 1 74 74 GLU CA C 74 57.061 57.061 56.241 0.820 25627
2521 1 5 . 1 1 74 74 GLU CB C 74 33.462 33.462 30.811 2.651 25627
2522 1 5 . 1 1 74 74 GLU H H 74 10.788 10.788 8.527 2.261 25627
2523 1 5 . 1 1 75 75 CYS N N 75 123.441 123.441 121.079 2.362 25627
2524 1 5 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.525 -1.049 25627
2525 1 5 . 1 1 75 75 CYS C C 75 174.198 174.198 174.643 -0.445 25627
2526 1 5 . 1 1 75 75 CYS CA C 75 59.022 59.022 60.596 -1.575 25627
2527 1 5 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.881 -2.659 25627
2528 1 5 . 1 1 75 75 CYS H H 75 9.198 9.198 7.893 1.305 25627
2529 1 5 . 1 1 76 76 GLU N N 76 131.177 131.177 125.542 5.635 25627
2530 1 5 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.308 -0.313 25627
2531 1 5 . 1 1 76 76 GLU C C 76 177.122 177.122 176.471 0.651 25627
2532 1 5 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.732 2.084 25627
2533 1 5 . 1 1 76 76 GLU CB C 76 30.668 30.668 31.719 -1.051 25627
2534 1 5 . 1 1 76 76 GLU H H 76 8.452 8.452 8.224 0.228 25627
2535 1 5 . 1 1 77 77 ASP N N 77 123.154 123.154 122.122 1.032 25627
2536 1 5 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.380 -0.044 25627
2537 1 5 . 1 1 77 77 ASP C C 77 179.545 179.545 177.543 2.002 25627
2538 1 5 . 1 1 77 77 ASP CA C 77 58.610 58.610 58.275 0.335 25627
2539 1 5 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.641 -0.692 25627
2540 1 5 . 1 1 77 77 ASP H H 77 9.067 9.067 8.868 0.199 25627
2541 1 5 . 1 1 78 78 LYS N N 78 116.055 116.055 117.295 -1.240 25627
2542 1 5 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.029 0.269 25627
2543 1 5 . 1 1 78 78 LYS C C 78 176.146 176.146 178.630 -2.484 25627
2544 1 5 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.016 -0.531 25627
2545 1 5 . 1 1 78 78 LYS CB C 78 31.840 31.840 31.669 0.171 25627
2546 1 5 . 1 1 78 78 LYS H H 78 8.664 8.664 8.552 0.112 25627
2547 1 5 . 1 1 79 79 GLU N N 79 117.481 117.481 119.591 -2.110 25627
2548 1 5 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.157 0.290 25627
2549 1 5 . 1 1 79 79 GLU C C 79 177.666 177.666 178.816 -1.150 25627
2550 1 5 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.684 -3.079 25627
2551 1 5 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.677 1.310 25627
2552 1 5 . 1 1 79 79 GLU H H 79 7.735 7.735 8.376 -0.641 25627
2553 1 5 . 1 1 80 80 VAL N N 80 121.192 121.192 120.410 0.782 25627
2554 1 5 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.672 -0.429 25627
2555 1 5 . 1 1 80 80 VAL C C 80 176.731 176.731 177.313 -0.582 25627
2556 1 5 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.389 0.486 25627
2557 1 5 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.184 0.989 25627
2558 1 5 . 1 1 80 80 VAL H H 80 7.274 7.274 7.599 -0.325 25627
2559 1 5 . 1 1 81 81 HIS N N 81 112.861 112.861 117.039 -4.178 25627
2560 1 5 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.302 0.346 25627
2561 1 5 . 1 1 81 81 HIS C C 81 175.330 175.330 176.694 -1.364 25627
2562 1 5 . 1 1 81 81 HIS CA C 81 57.747 57.747 58.976 -1.229 25627
2563 1 5 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.088 -0.908 25627
2564 1 5 . 1 1 81 81 HIS H H 81 8.157 8.157 7.600 0.557 25627
2565 1 5 . 1 1 82 82 LYS N N 82 117.850 117.850 116.567 1.283 25627
2566 1 5 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.242 -0.231 25627
2567 1 5 . 1 1 82 82 LYS C C 82 177.430 177.430 177.390 0.040 25627
2568 1 5 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.435 -0.844 25627
2569 1 5 . 1 1 82 82 LYS CB C 82 33.083 33.083 33.321 -0.238 25627
2570 1 5 . 1 1 82 82 LYS H H 82 7.264 7.264 7.597 -0.333 25627
2571 1 5 . 1 1 83 83 VAL N N 83 123.619 123.619 120.451 3.168 25627
2572 1 5 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.039 -0.159 25627
2573 1 5 . 1 1 83 83 VAL C C 83 175.239 175.239 174.927 0.312 25627
2574 1 5 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.383 1.429 25627
2575 1 5 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.182 -0.634 25627
2576 1 5 . 1 1 83 83 VAL H H 83 8.126 8.126 8.169 -0.043 25627
2577 1 5 . 1 1 84 84 LYS N N 84 128.994 128.994 127.139 1.855 25627
2578 1 5 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.817 -0.364 25627
2579 1 5 . 1 1 84 84 LYS C C 84 174.399 174.399 175.428 -1.029 25627
2580 1 5 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.577 1.240 25627
2581 1 5 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.598 -0.492 25627
2582 1 5 . 1 1 84 84 LYS H H 84 9.031 9.031 8.079 0.952 25627
2583 1 5 . 1 1 85 85 VAL N N 85 120.723 120.723 122.723 -2.000 25627
2584 1 5 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.507 -0.477 25627
2585 1 5 . 1 1 85 85 VAL C C 85 175.482 175.482 175.006 0.476 25627
2586 1 5 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.367 0.275 25627
2587 1 5 . 1 1 85 85 VAL CB C 85 32.488 32.488 33.912 -1.424 25627
2588 1 5 . 1 1 85 85 VAL H H 85 8.299 8.299 8.912 -0.613 25627
2589 1 5 . 1 1 86 86 TYR N N 86 126.214 126.214 128.095 -1.881 25627
2590 1 5 . 1 1 86 86 TYR HA H 86 4.726 4.726 5.126 -0.400 25627
2591 1 5 . 1 1 86 86 TYR C C 86 175.214 175.214 175.003 0.211 25627
2592 1 5 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.207 3.333 25627
2593 1 5 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.582 1.470 25627
2594 1 5 . 1 1 86 86 TYR H H 86 8.077 8.077 8.826 -0.749 25627
2595 1 5 . 1 1 87 87 VAL N N 87 123.680 123.680 119.989 3.691 25627
2596 1 5 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.258 -0.062 25627
2597 1 5 . 1 1 87 87 VAL C C 87 174.322 174.322 174.033 0.289 25627
2598 1 5 . 1 1 87 87 VAL CA C 87 61.901 61.901 60.495 1.407 25627
2599 1 5 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.689 0.090 25627
2600 1 5 . 1 1 87 87 VAL H H 87 8.133 8.133 8.731 -0.598 25627
2601 1 6 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.313 -0.183 25627
2602 1 6 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 56.693 -1.844 25627
2603 1 6 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 29.082 2.591 25627
2604 1 6 . 1 1 0 0 MET N N 0 120.413 120.413 118.138 2.275 25627
2605 1 6 . 1 1 0 0 MET HA H 0 4.350 4.350 4.556 -0.206 25627
2606 1 6 . 1 1 0 0 MET C C 0 175.829 175.829 174.877 0.952 25627
2607 1 6 . 1 1 0 0 MET CA C 0 55.134 55.134 55.033 0.101 25627
2608 1 6 . 1 1 0 0 MET CB C 0 32.391 32.391 33.143 -0.752 25627
2609 1 6 . 1 1 0 0 MET H H 0 8.332 8.332 7.931 0.401 25627
2610 1 6 . 1 1 1 1 MET N N 1 121.120 121.120 121.916 -0.796 25627
2611 1 6 . 1 1 1 1 MET HA H 1 4.443 4.443 4.503 -0.060 25627
2612 1 6 . 1 1 1 1 MET C C 1 175.772 175.772 176.752 -0.980 25627
2613 1 6 . 1 1 1 1 MET CA C 1 55.446 55.446 55.073 0.373 25627
2614 1 6 . 1 1 1 1 MET CB C 1 32.774 32.774 32.454 0.320 25627
2615 1 6 . 1 1 1 1 MET H H 1 8.287 8.287 7.761 0.526 25627
2616 1 6 . 1 1 2 2 ALA N N 2 125.673 125.673 126.923 -1.250 25627
2617 1 6 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.409 -0.042 25627
2618 1 6 . 1 1 2 2 ALA C C 2 177.821 177.821 178.434 -0.613 25627
2619 1 6 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.318 0.250 25627
2620 1 6 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.458 -0.221 25627
2621 1 6 . 1 1 2 2 ALA H H 2 8.373 8.373 8.385 -0.012 25627
2622 1 6 . 1 1 3 3 THR N N 3 113.038 113.038 116.696 -3.658 25627
2623 1 6 . 1 1 3 3 THR HA H 3 4.354 4.354 4.148 0.206 25627
2624 1 6 . 1 1 3 3 THR C C 3 174.577 174.577 175.237 -0.660 25627
2625 1 6 . 1 1 3 3 THR CA C 3 61.679 61.679 64.099 -2.420 25627
2626 1 6 . 1 1 3 3 THR CB C 3 69.864 69.864 69.299 0.565 25627
2627 1 6 . 1 1 3 3 THR H H 3 8.099 8.099 8.455 -0.356 25627
2628 1 6 . 1 1 4 4 SER N N 4 117.235 117.235 115.649 1.586 25627
2629 1 6 . 1 1 4 4 SER HA H 4 4.440 4.440 4.608 -0.168 25627
2630 1 6 . 1 1 4 4 SER C C 4 173.887 173.887 172.744 1.143 25627
2631 1 6 . 1 1 4 4 SER CA C 4 58.314 58.314 58.425 -0.111 25627
2632 1 6 . 1 1 4 4 SER CB C 4 63.951 63.951 63.416 0.535 25627
2633 1 6 . 1 1 4 4 SER H H 4 8.238 8.238 7.769 0.469 25627
2634 1 6 . 1 1 5 5 ASP N N 5 122.543 122.543 122.379 0.164 25627
2635 1 6 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.790 -0.207 25627
2636 1 6 . 1 1 5 5 ASP C C 5 175.690 175.690 174.298 1.392 25627
2637 1 6 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.209 0.937 25627
2638 1 6 . 1 1 5 5 ASP CB C 5 41.166 41.166 41.887 -0.721 25627
2639 1 6 . 1 1 5 5 ASP H H 5 8.321 8.321 8.145 0.176 25627
2640 1 6 . 1 1 6 6 VAL N N 6 121.235 121.235 120.982 0.253 25627
2641 1 6 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.303 -0.205 25627
2642 1 6 . 1 1 6 6 VAL C C 6 175.211 175.211 175.456 -0.245 25627
2643 1 6 . 1 1 6 6 VAL CA C 6 62.322 62.322 61.925 0.397 25627
2644 1 6 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.292 0.289 25627
2645 1 6 . 1 1 6 6 VAL H H 6 7.942 7.942 8.500 -0.558 25627
2646 1 6 . 1 1 7 7 LYS N N 7 125.356 125.356 128.430 -3.074 25627
2647 1 6 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.093 -0.782 25627
2648 1 6 . 1 1 7 7 LYS CB C 7 33.494 33.494 32.290 1.204 25627
2649 1 6 . 1 1 7 7 LYS H H 7 8.383 8.383 8.531 -0.148 25627
2650 1 6 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.608 -0.649 25627
2651 1 6 . 1 1 8 8 PRO C C 8 176.346 176.346 175.922 0.424 25627
2652 1 6 . 1 1 8 8 PRO CA C 8 62.993 62.993 62.995 -0.002 25627
2653 1 6 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.411 -0.408 25627
2654 1 6 . 1 1 9 9 LYS N N 9 122.609 122.609 122.796 -0.187 25627
2655 1 6 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.230 0.057 25627
2656 1 6 . 1 1 9 9 LYS C C 9 177.164 177.164 176.344 0.820 25627
2657 1 6 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.132 0.090 25627
2658 1 6 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.760 0.202 25627
2659 1 6 . 1 1 9 9 LYS H H 9 9.393 9.393 8.811 0.582 25627
2660 1 6 . 1 1 10 10 SER N N 10 111.655 111.655 112.418 -0.763 25627
2661 1 6 . 1 1 10 10 SER HA H 10 4.563 4.563 4.649 -0.086 25627
2662 1 6 . 1 1 10 10 SER C C 10 171.697 171.697 172.013 -0.316 25627
2663 1 6 . 1 1 10 10 SER CA C 10 57.614 57.614 58.022 -0.408 25627
2664 1 6 . 1 1 10 10 SER CB C 10 64.687 64.687 66.487 -1.800 25627
2665 1 6 . 1 1 10 10 SER H H 10 7.846 7.846 7.636 0.210 25627
2666 1 6 . 1 1 11 11 ILE N N 11 121.054 121.054 120.573 0.481 25627
2667 1 6 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.686 -0.155 25627
2668 1 6 . 1 1 11 11 ILE C C 11 175.460 175.460 175.220 0.240 25627
2669 1 6 . 1 1 11 11 ILE CA C 11 60.794 60.794 61.082 -0.288 25627
2670 1 6 . 1 1 11 11 ILE CB C 11 41.105 41.105 40.854 0.251 25627
2671 1 6 . 1 1 11 11 ILE H H 11 8.128 8.128 8.358 -0.230 25627
2672 1 6 . 1 1 12 12 SER N N 12 122.340 122.340 122.303 0.037 25627
2673 1 6 . 1 1 12 12 SER HA H 12 4.757 4.757 4.874 -0.117 25627
2674 1 6 . 1 1 12 12 SER C C 12 172.771 172.771 172.883 -0.112 25627
2675 1 6 . 1 1 12 12 SER CA C 12 56.498 56.498 57.109 -0.611 25627
2676 1 6 . 1 1 12 12 SER CB C 12 65.418 65.418 65.641 -0.223 25627
2677 1 6 . 1 1 12 12 SER H H 12 8.782 8.782 9.021 -0.239 25627
2678 1 6 . 1 1 13 13 ARG N N 13 119.603 119.603 119.946 -0.343 25627
2679 1 6 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.671 0.205 25627
2680 1 6 . 1 1 13 13 ARG C C 13 176.720 176.720 175.346 1.374 25627
2681 1 6 . 1 1 13 13 ARG CA C 13 54.308 54.308 55.008 -0.700 25627
2682 1 6 . 1 1 13 13 ARG CB C 13 31.754 31.754 32.249 -0.495 25627
2683 1 6 . 1 1 13 13 ARG H H 13 8.374 8.374 8.521 -0.147 25627
2684 1 6 . 1 1 14 14 ALA N N 14 127.004 127.004 126.202 0.802 25627
2685 1 6 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.273 -0.163 25627
2686 1 6 . 1 1 14 14 ALA C C 14 176.523 176.523 177.005 -0.482 25627
2687 1 6 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.016 0.526 25627
2688 1 6 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.989 0.097 25627
2689 1 6 . 1 1 14 14 ALA H H 14 8.725 8.725 8.457 0.268 25627
2690 1 6 . 1 1 15 15 LYS N N 15 117.157 117.157 119.450 -2.293 25627
2691 1 6 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.148 0.224 25627
2692 1 6 . 1 1 15 15 LYS C C 15 176.383 176.383 177.076 -0.693 25627
2693 1 6 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.228 -0.602 25627
2694 1 6 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.032 1.578 25627
2695 1 6 . 1 1 15 15 LYS H H 15 8.518 8.518 8.524 -0.006 25627
2696 1 6 . 1 1 16 16 LYS N N 16 116.265 116.265 117.993 -1.728 25627
2697 1 6 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.548 0.027 25627
2698 1 6 . 1 1 16 16 LYS C C 16 174.584 174.584 175.037 -0.453 25627
2699 1 6 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.528 0.166 25627
2700 1 6 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.965 0.639 25627
2701 1 6 . 1 1 16 16 LYS H H 16 7.429 7.429 7.449 -0.020 25627
2702 1 6 . 1 1 17 17 TRP N N 17 123.638 123.638 122.500 1.138 25627
2703 1 6 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.711 -0.926 25627
2704 1 6 . 1 1 17 17 TRP C C 17 174.781 174.781 175.171 -0.390 25627
2705 1 6 . 1 1 17 17 TRP CA C 17 61.877 61.877 57.949 3.928 25627
2706 1 6 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.964 -1.043 25627
2707 1 6 . 1 1 17 17 TRP H H 17 9.412 9.412 8.688 0.724 25627
2708 1 6 . 1 1 18 18 SER N N 18 119.926 119.926 120.121 -0.195 25627
2709 1 6 . 1 1 18 18 SER HA H 18 3.831 3.831 3.983 -0.152 25627
2710 1 6 . 1 1 18 18 SER C C 18 172.100 172.100 174.627 -2.527 25627
2711 1 6 . 1 1 18 18 SER CA C 18 56.830 56.830 55.784 1.046 25627
2712 1 6 . 1 1 18 18 SER CB C 18 66.241 66.241 65.205 1.036 25627
2713 1 6 . 1 1 18 18 SER H H 18 6.081 6.081 7.789 -1.708 25627
2714 1 6 . 1 1 19 19 GLU N N 19 120.673 120.673 124.989 -4.316 25627
2715 1 6 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.876 -0.229 25627
2716 1 6 . 1 1 19 19 GLU C C 19 177.682 177.682 177.774 -0.092 25627
2717 1 6 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.334 1.246 25627
2718 1 6 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.123 -0.500 25627
2719 1 6 . 1 1 19 19 GLU H H 19 9.355 9.355 8.768 0.587 25627
2720 1 6 . 1 1 20 20 GLU N N 20 117.979 117.979 119.615 -1.636 25627
2721 1 6 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.082 0.142 25627
2722 1 6 . 1 1 20 20 GLU C C 20 179.454 179.454 178.890 0.564 25627
2723 1 6 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.730 0.521 25627
2724 1 6 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.573 0.142 25627
2725 1 6 . 1 1 20 20 GLU H H 20 7.946 7.946 7.420 0.526 25627
2726 1 6 . 1 1 21 21 ILE N N 21 121.560 121.560 119.726 1.834 25627
2727 1 6 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.860 -0.083 25627
2728 1 6 . 1 1 21 21 ILE C C 21 176.700 176.700 178.184 -1.484 25627
2729 1 6 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.934 -0.956 25627
2730 1 6 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.586 -0.492 25627
2731 1 6 . 1 1 21 21 ILE H H 21 7.122 7.122 8.317 -1.195 25627
2732 1 6 . 1 1 22 22 GLU N N 22 121.372 121.372 120.715 0.657 25627
2733 1 6 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.928 0.071 25627
2734 1 6 . 1 1 22 22 GLU C C 22 178.416 178.416 178.527 -0.111 25627
2735 1 6 . 1 1 22 22 GLU CA C 22 59.018 59.018 59.701 -0.683 25627
2736 1 6 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.002 -0.850 25627
2737 1 6 . 1 1 22 22 GLU H H 22 8.017 8.017 7.958 0.059 25627
2738 1 6 . 1 1 23 23 ASN N N 23 114.717 114.717 117.743 -3.026 25627
2739 1 6 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.554 0.183 25627
2740 1 6 . 1 1 23 23 ASN C C 23 177.565 177.565 177.814 -0.249 25627
2741 1 6 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.474 -0.110 25627
2742 1 6 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.576 0.230 25627
2743 1 6 . 1 1 23 23 ASN H H 23 7.352 7.352 7.792 -0.440 25627
2744 1 6 . 1 1 24 24 LEU N N 24 122.083 122.083 120.599 1.484 25627
2745 1 6 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.956 0.447 25627
2746 1 6 . 1 1 24 24 LEU C C 24 178.487 178.487 179.157 -0.670 25627
2747 1 6 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.179 1.318 25627
2748 1 6 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.879 0.356 25627
2749 1 6 . 1 1 24 24 LEU H H 24 8.232 8.232 7.773 0.459 25627
2750 1 6 . 1 1 25 25 TYR N N 25 118.898 118.898 120.137 -1.239 25627
2751 1 6 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.137 -0.062 25627
2752 1 6 . 1 1 25 25 TYR C C 25 177.164 177.164 177.688 -0.524 25627
2753 1 6 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.410 0.131 25627
2754 1 6 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.401 -0.868 25627
2755 1 6 . 1 1 25 25 TYR H H 25 9.056 9.056 8.629 0.427 25627
2756 1 6 . 1 1 26 26 ARG N N 26 119.000 119.000 118.953 0.047 25627
2757 1 6 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.618 -0.260 25627
2758 1 6 . 1 1 26 26 ARG C C 26 179.709 179.709 178.766 0.943 25627
2759 1 6 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.394 0.875 25627
2760 1 6 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.660 -1.065 25627
2761 1 6 . 1 1 26 26 ARG H H 26 7.672 7.672 8.168 -0.496 25627
2762 1 6 . 1 1 27 27 PHE N N 27 119.640 119.640 119.565 0.075 25627
2763 1 6 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.118 -0.248 25627
2764 1 6 . 1 1 27 27 PHE C C 27 178.542 178.542 177.955 0.587 25627
2765 1 6 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.615 1.817 25627
2766 1 6 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.644 -0.684 25627
2767 1 6 . 1 1 27 27 PHE H H 27 8.497 8.497 8.866 -0.369 25627
2768 1 6 . 1 1 28 28 GLN N N 28 120.400 120.400 118.729 1.671 25627
2769 1 6 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.032 0.694 25627
2770 1 6 . 1 1 28 28 GLN C C 28 182.258 182.258 178.497 3.761 25627
2771 1 6 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.629 0.334 25627
2772 1 6 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.514 -1.753 25627
2773 1 6 . 1 1 28 28 GLN H H 28 8.995 8.995 8.529 0.466 25627
2774 1 6 . 1 1 29 29 GLN N N 29 122.649 122.649 117.364 5.285 25627
2775 1 6 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.842 0.114 25627
2776 1 6 . 1 1 29 29 GLN C C 29 177.046 177.046 177.801 -0.755 25627
2777 1 6 . 1 1 29 29 GLN CA C 29 58.229 58.229 57.778 0.451 25627
2778 1 6 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.100 1.111 25627
2779 1 6 . 1 1 29 29 GLN H H 29 8.728 8.728 7.708 1.020 25627
2780 1 6 . 1 1 30 30 ALA N N 30 117.672 117.672 117.465 0.207 25627
2781 1 6 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.936 0.193 25627
2782 1 6 . 1 1 30 30 ALA C C 30 175.371 175.371 176.617 -1.246 25627
2783 1 6 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.774 -0.562 25627
2784 1 6 . 1 1 30 30 ALA CB C 30 19.196 19.196 19.054 0.142 25627
2785 1 6 . 1 1 30 30 ALA H H 30 7.120 7.120 7.549 -0.429 25627
2786 1 6 . 1 1 31 31 GLY N N 31 103.200 103.200 102.254 0.946 25627
2787 1 6 . 1 1 31 31 GLY C C 31 173.625 173.625 173.493 0.132 25627
2788 1 6 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.637 0.671 25627
2789 1 6 . 1 1 31 31 GLY H H 31 7.474 7.474 7.337 0.137 25627
2790 1 6 . 1 1 32 32 TYR N N 32 121.303 121.303 120.234 1.069 25627
2791 1 6 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.940 -0.003 25627
2792 1 6 . 1 1 32 32 TYR C C 32 174.419 174.419 175.591 -1.172 25627
2793 1 6 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.453 0.759 25627
2794 1 6 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.331 2.083 25627
2795 1 6 . 1 1 32 32 TYR H H 32 8.403 8.403 7.977 0.426 25627
2796 1 6 . 1 1 33 33 ARG N N 33 118.245 118.245 119.790 -1.545 25627
2797 1 6 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.812 0.139 25627
2798 1 6 . 1 1 33 33 ARG C C 33 175.618 175.618 174.811 0.807 25627
2799 1 6 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.438 3.135 25627
2800 1 6 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.316 1.669 25627
2801 1 6 . 1 1 33 33 ARG H H 33 9.571 9.571 8.745 0.826 25627
2802 1 6 . 1 1 34 34 ASP N N 34 105.630 105.630 114.273 -8.643 25627
2803 1 6 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.428 -0.605 25627
2804 1 6 . 1 1 34 34 ASP C C 34 174.754 174.754 175.814 -1.060 25627
2805 1 6 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.673 -0.409 25627
2806 1 6 . 1 1 34 34 ASP CB C 34 39.819 39.819 41.449 -1.630 25627
2807 1 6 . 1 1 34 34 ASP H H 34 6.995 6.995 7.575 -0.580 25627
2808 1 6 . 1 1 35 35 GLU N N 35 118.215 118.215 118.950 -0.735 25627
2809 1 6 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.801 -0.898 25627
2810 1 6 . 1 1 35 35 GLU C C 35 177.043 177.043 178.535 -1.492 25627
2811 1 6 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.900 -1.299 25627
2812 1 6 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.262 0.851 25627
2813 1 6 . 1 1 35 35 GLU H H 35 7.818 7.818 8.403 -0.585 25627
2814 1 6 . 1 1 36 36 ILE N N 36 118.404 118.404 118.506 -0.102 25627
2815 1 6 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.627 -0.206 25627
2816 1 6 . 1 1 36 36 ILE C C 36 179.143 179.143 178.077 1.066 25627
2817 1 6 . 1 1 36 36 ILE CA C 36 64.460 64.460 64.073 0.387 25627
2818 1 6 . 1 1 36 36 ILE CB C 36 36.502 36.502 36.441 0.061 25627
2819 1 6 . 1 1 36 36 ILE H H 36 6.833 6.833 7.919 -1.086 25627
2820 1 6 . 1 1 37 37 GLU N N 37 120.573 120.573 120.004 0.569 25627
2821 1 6 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.021 -0.015 25627
2822 1 6 . 1 1 37 37 GLU C C 37 178.417 178.417 178.598 -0.181 25627
2823 1 6 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.984 0.440 25627
2824 1 6 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.397 0.501 25627
2825 1 6 . 1 1 37 37 GLU H H 37 8.463 8.463 8.291 0.172 25627
2826 1 6 . 1 1 38 38 TYR N N 38 117.942 117.942 120.861 -2.919 25627
2827 1 6 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.175 0.308 25627
2828 1 6 . 1 1 38 38 TYR C C 38 176.772 176.772 177.382 -0.610 25627
2829 1 6 . 1 1 38 38 TYR CA C 38 62.767 62.767 61.097 1.670 25627
2830 1 6 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.357 1.622 25627
2831 1 6 . 1 1 38 38 TYR H H 38 7.949 7.949 7.965 -0.016 25627
2832 1 6 . 1 1 39 39 LYS N N 39 115.539 115.539 118.259 -2.720 25627
2833 1 6 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.500 0.148 25627
2834 1 6 . 1 1 39 39 LYS C C 39 179.543 179.543 178.872 0.671 25627
2835 1 6 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.855 0.792 25627
2836 1 6 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.959 0.264 25627
2837 1 6 . 1 1 39 39 LYS H H 39 8.287 8.287 8.532 -0.245 25627
2838 1 6 . 1 1 40 40 GLN N N 40 118.265 118.265 119.109 -0.844 25627
2839 1 6 . 1 1 40 40 GLN HA H 40 4.011 4.011 3.970 0.041 25627
2840 1 6 . 1 1 40 40 GLN C C 40 178.263 178.263 178.105 0.158 25627
2841 1 6 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.767 -0.014 25627
2842 1 6 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.612 -0.036 25627
2843 1 6 . 1 1 40 40 GLN H H 40 7.605 7.605 7.635 -0.030 25627
2844 1 6 . 1 1 41 41 VAL N N 41 118.627 118.627 119.168 -0.541 25627
2845 1 6 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.719 0.043 25627
2846 1 6 . 1 1 41 41 VAL C C 41 178.092 178.092 177.600 0.492 25627
2847 1 6 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.595 0.114 25627
2848 1 6 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.689 0.953 25627
2849 1 6 . 1 1 41 41 VAL H H 41 8.470 8.470 7.694 0.776 25627
2850 1 6 . 1 1 42 42 LYS N N 42 115.117 115.117 116.829 -1.712 25627
2851 1 6 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.290 -0.040 25627
2852 1 6 . 1 1 42 42 LYS C C 42 176.102 176.102 175.593 0.509 25627
2853 1 6 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.839 -0.938 25627
2854 1 6 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.039 -0.874 25627
2855 1 6 . 1 1 42 42 LYS H H 42 8.263 8.263 7.475 0.788 25627
2856 1 6 . 1 1 43 43 GLN N N 43 116.108 116.108 115.621 0.487 25627
2857 1 6 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.922 0.046 25627
2858 1 6 . 1 1 43 43 GLN C C 43 175.125 175.125 175.345 -0.220 25627
2859 1 6 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.702 -0.147 25627
2860 1 6 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.753 0.159 25627
2861 1 6 . 1 1 43 43 GLN H H 43 7.717 7.717 7.769 -0.052 25627
2862 1 6 . 1 1 44 44 VAL N N 44 110.285 110.285 113.477 -3.192 25627
2863 1 6 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.442 0.116 25627
2864 1 6 . 1 1 44 44 VAL C C 44 175.431 175.431 174.277 1.154 25627
2865 1 6 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.411 -0.171 25627
2866 1 6 . 1 1 44 44 VAL CB C 44 34.732 34.732 34.307 0.425 25627
2867 1 6 . 1 1 44 44 VAL H H 44 6.817 6.817 7.578 -0.761 25627
2868 1 6 . 1 1 45 45 ALA N N 45 123.422 123.422 121.097 2.325 25627
2869 1 6 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.632 -0.277 25627
2870 1 6 . 1 1 45 45 ALA C C 45 177.543 177.543 176.089 1.454 25627
2871 1 6 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.181 0.640 25627
2872 1 6 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.151 0.661 25627
2873 1 6 . 1 1 45 45 ALA H H 45 8.571 8.571 8.199 0.372 25627
2874 1 6 . 1 1 46 46 MET N N 46 114.808 114.808 116.819 -2.011 25627
2875 1 6 . 1 1 46 46 MET HA H 46 4.724 4.724 4.790 -0.066 25627
2876 1 6 . 1 1 46 46 MET C C 46 173.698 173.698 174.347 -0.649 25627
2877 1 6 . 1 1 46 46 MET CA C 46 54.230 54.230 55.135 -0.905 25627
2878 1 6 . 1 1 46 46 MET CB C 46 34.793 34.793 34.982 -0.189 25627
2879 1 6 . 1 1 46 46 MET H H 46 7.657 7.657 7.692 -0.035 25627
2880 1 6 . 1 1 47 47 VAL N N 47 120.757 120.757 121.572 -0.815 25627
2881 1 6 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.494 -0.215 25627
2882 1 6 . 1 1 47 47 VAL C C 47 174.985 174.985 175.337 -0.352 25627
2883 1 6 . 1 1 47 47 VAL CA C 47 61.036 61.036 60.858 0.178 25627
2884 1 6 . 1 1 47 47 VAL CB C 47 33.826 33.826 34.289 -0.463 25627
2885 1 6 . 1 1 47 47 VAL H H 47 8.459 8.459 8.378 0.081 25627
2886 1 6 . 1 1 48 48 ASP N N 48 126.251 126.251 126.582 -0.331 25627
2887 1 6 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.596 -0.122 25627
2888 1 6 . 1 1 48 48 ASP C C 48 175.819 175.819 175.295 0.524 25627
2889 1 6 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.478 0.994 25627
2890 1 6 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.373 0.761 25627
2891 1 6 . 1 1 48 48 ASP H H 48 8.929 8.929 8.618 0.311 25627
2892 1 6 . 1 1 49 49 ARG N N 49 122.995 122.995 123.536 -0.541 25627
2893 1 6 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.276 -0.517 25627
2894 1 6 . 1 1 49 49 ARG C C 49 176.363 176.363 175.644 0.719 25627
2895 1 6 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.533 0.081 25627
2896 1 6 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.685 -0.215 25627
2897 1 6 . 1 1 49 49 ARG H H 49 8.534 8.534 7.994 0.540 25627
2898 1 6 . 1 1 50 50 TRP N N 50 125.191 125.191 121.116 4.075 25627
2899 1 6 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.063 -0.399 25627
2900 1 6 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.622 -0.027 25627
2901 1 6 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.431 -0.318 25627
2902 1 6 . 1 1 50 50 TRP H H 50 9.111 9.111 8.390 0.721 25627
2903 1 6 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.270 0.075 25627
2904 1 6 . 1 1 51 51 PRO C C 51 178.698 178.698 177.316 1.382 25627
2905 1 6 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.267 -0.693 25627
2906 1 6 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.074 0.089 25627
2907 1 6 . 1 1 52 52 GLU N N 52 116.570 116.570 118.597 -2.027 25627
2908 1 6 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.181 -0.211 25627
2909 1 6 . 1 1 52 52 GLU C C 52 178.031 178.031 177.878 0.153 25627
2910 1 6 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.825 1.933 25627
2911 1 6 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.289 0.325 25627
2912 1 6 . 1 1 52 52 GLU H H 52 9.951 9.951 8.871 1.080 25627
2913 1 6 . 1 1 53 53 THR N N 53 103.788 103.788 107.162 -3.374 25627
2914 1 6 . 1 1 53 53 THR HA H 53 4.135 4.135 4.232 -0.097 25627
2915 1 6 . 1 1 53 53 THR C C 53 175.731 175.731 174.991 0.740 25627
2916 1 6 . 1 1 53 53 THR CA C 53 60.427 60.427 61.569 -1.141 25627
2917 1 6 . 1 1 53 53 THR CB C 53 70.762 70.762 70.351 0.411 25627
2918 1 6 . 1 1 53 53 THR H H 53 7.120 7.120 7.663 -0.543 25627
2919 1 6 . 1 1 54 54 GLY N N 54 109.195 109.195 110.569 -1.374 25627
2920 1 6 . 1 1 54 54 GLY C C 54 174.593 174.593 174.659 -0.066 25627
2921 1 6 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.341 0.407 25627
2922 1 6 . 1 1 54 54 GLY H H 54 8.227 8.227 8.080 0.147 25627
2923 1 6 . 1 1 55 55 TYR N N 55 119.038 119.038 119.211 -0.173 25627
2924 1 6 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.742 0.963 25627
2925 1 6 . 1 1 55 55 TYR C C 55 177.556 177.556 176.596 0.960 25627
2926 1 6 . 1 1 55 55 TYR CA C 55 53.730 53.730 56.519 -2.789 25627
2927 1 6 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.335 -0.594 25627
2928 1 6 . 1 1 55 55 TYR H H 55 7.353 7.353 7.564 -0.211 25627
2929 1 6 . 1 1 56 56 VAL N N 56 120.089 120.089 122.079 -1.990 25627
2930 1 6 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.050 -0.437 25627
2931 1 6 . 1 1 56 56 VAL C C 56 174.564 174.564 176.826 -2.262 25627
2932 1 6 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.362 0.405 25627
2933 1 6 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.409 1.358 25627
2934 1 6 . 1 1 56 56 VAL H H 56 8.252 8.252 8.594 -0.342 25627
2935 1 6 . 1 1 57 57 LYS N N 57 127.233 127.233 128.708 -1.475 25627
2936 1 6 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.806 -0.358 25627
2937 1 6 . 1 1 57 57 LYS C C 57 175.256 175.256 176.266 -1.010 25627
2938 1 6 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.259 -1.276 25627
2939 1 6 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.914 1.336 25627
2940 1 6 . 1 1 57 57 LYS H H 57 9.005 9.005 9.273 -0.268 25627
2941 1 6 . 1 1 58 58 LYS N N 58 115.918 115.918 115.626 0.292 25627
2942 1 6 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.056 0.314 25627
2943 1 6 . 1 1 58 58 LYS C C 58 174.030 174.030 174.600 -0.570 25627
2944 1 6 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.290 -0.436 25627
2945 1 6 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.175 -0.352 25627
2946 1 6 . 1 1 58 58 LYS H H 58 6.921 6.921 7.530 -0.609 25627
2947 1 6 . 1 1 59 59 LEU N N 59 121.666 121.666 121.905 -0.239 25627
2948 1 6 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.643 0.006 25627
2949 1 6 . 1 1 59 59 LEU C C 59 174.451 174.451 174.816 -0.365 25627
2950 1 6 . 1 1 59 59 LEU CA C 59 53.472 53.472 53.912 -0.440 25627
2951 1 6 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.412 0.527 25627
2952 1 6 . 1 1 59 59 LEU H H 59 8.793 8.793 8.964 -0.171 25627
2953 1 6 . 1 1 60 60 GLN N N 60 121.710 121.710 123.396 -1.686 25627
2954 1 6 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.294 0.142 25627
2955 1 6 . 1 1 60 60 GLN C C 60 176.636 176.636 175.427 1.209 25627
2956 1 6 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.739 -0.822 25627
2957 1 6 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.724 0.612 25627
2958 1 6 . 1 1 60 60 GLN H H 60 8.879 8.879 8.714 0.165 25627
2959 1 6 . 1 1 61 61 ARG N N 61 126.172 126.172 124.730 1.442 25627
2960 1 6 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.428 0.115 25627
2961 1 6 . 1 1 61 61 ARG C C 61 178.315 178.315 177.880 0.435 25627
2962 1 6 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.256 2.317 25627
2963 1 6 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.839 1.062 25627
2964 1 6 . 1 1 61 61 ARG H H 61 9.387 9.387 8.654 0.733 25627
2965 1 6 . 1 1 62 62 ARG N N 62 123.754 123.754 120.109 3.645 25627
2966 1 6 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.082 -0.214 25627
2967 1 6 . 1 1 62 62 ARG C C 62 176.508 176.508 176.312 0.196 25627
2968 1 6 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.192 1.671 25627
2969 1 6 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.856 -0.392 25627
2970 1 6 . 1 1 62 62 ARG H H 62 9.385 9.385 8.205 1.180 25627
2971 1 6 . 1 1 63 63 ASP N N 63 116.155 116.155 117.222 -1.067 25627
2972 1 6 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.703 -0.272 25627
2973 1 6 . 1 1 63 63 ASP C C 63 176.163 176.163 175.605 0.558 25627
2974 1 6 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.778 -0.592 25627
2975 1 6 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.195 -0.439 25627
2976 1 6 . 1 1 63 63 ASP H H 63 7.505 7.505 8.066 -0.561 25627
2977 1 6 . 1 1 64 64 ASN N N 64 110.183 110.183 112.762 -2.579 25627
2978 1 6 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.295 -0.208 25627
2979 1 6 . 1 1 64 64 ASN C C 64 175.432 175.432 173.762 1.670 25627
2980 1 6 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.760 0.670 25627
2981 1 6 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.457 -0.423 25627
2982 1 6 . 1 1 64 64 ASN H H 64 7.791 7.791 8.522 -0.731 25627
2983 1 6 . 1 1 65 65 THR N N 65 112.736 112.736 111.230 1.506 25627
2984 1 6 . 1 1 65 65 THR HA H 65 4.414 4.414 4.369 0.045 25627
2985 1 6 . 1 1 65 65 THR C C 65 173.653 173.653 174.326 -0.673 25627
2986 1 6 . 1 1 65 65 THR CA C 65 62.342 62.342 61.555 0.787 25627
2987 1 6 . 1 1 65 65 THR CB C 65 70.946 70.946 69.186 1.760 25627
2988 1 6 . 1 1 65 65 THR H H 65 7.921 7.921 7.482 0.439 25627
2989 1 6 . 1 1 66 66 PHE N N 66 118.850 118.850 125.343 -6.493 25627
2990 1 6 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.327 0.817 25627
2991 1 6 . 1 1 66 66 PHE C C 66 174.762 174.762 175.090 -0.328 25627
2992 1 6 . 1 1 66 66 PHE CA C 66 58.479 58.479 59.188 -0.709 25627
2993 1 6 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.472 2.791 25627
2994 1 6 . 1 1 66 66 PHE H H 66 8.926 8.926 8.995 -0.069 25627
2995 1 6 . 1 1 67 67 PHE N N 67 124.259 124.259 126.822 -2.563 25627
2996 1 6 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.758 -0.094 25627
2997 1 6 . 1 1 67 67 PHE C C 67 173.553 173.553 173.182 0.371 25627
2998 1 6 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.286 -0.382 25627
2999 1 6 . 1 1 67 67 PHE CB C 67 42.337 42.337 41.944 0.393 25627
3000 1 6 . 1 1 67 67 PHE H H 67 9.142 9.142 8.906 0.236 25627
3001 1 6 . 1 1 68 68 TYR N N 68 122.881 122.881 126.785 -3.904 25627
3002 1 6 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.494 0.377 25627
3003 1 6 . 1 1 68 68 TYR C C 68 174.835 174.835 175.155 -0.320 25627
3004 1 6 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.800 -1.407 25627
3005 1 6 . 1 1 68 68 TYR CB C 68 40.189 40.189 39.141 1.048 25627
3006 1 6 . 1 1 68 68 TYR H H 68 8.064 8.064 8.205 -0.141 25627
3007 1 6 . 1 1 69 69 TYR N N 69 118.675 118.675 123.128 -4.453 25627
3008 1 6 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.836 0.189 25627
3009 1 6 . 1 1 69 69 TYR C C 69 177.181 177.181 175.007 2.174 25627
3010 1 6 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.021 -0.109 25627
3011 1 6 . 1 1 69 69 TYR CB C 69 43.423 43.423 42.116 1.307 25627
3012 1 6 . 1 1 69 69 TYR H H 69 8.384 8.384 9.134 -0.750 25627
3013 1 6 . 1 1 70 70 ASN N N 70 122.917 122.917 119.471 3.446 25627
3014 1 6 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.859 -0.064 25627
3015 1 6 . 1 1 70 70 ASN C C 70 175.433 175.433 176.228 -0.795 25627
3016 1 6 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.579 0.780 25627
3017 1 6 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.947 -0.570 25627
3018 1 6 . 1 1 70 70 ASN H H 70 9.832 9.832 8.779 1.053 25627
3019 1 6 . 1 1 71 71 LYS N N 71 123.116 123.116 121.653 1.463 25627
3020 1 6 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.118 -1.879 25627
3021 1 6 . 1 1 71 71 LYS C C 71 175.495 175.495 176.919 -1.424 25627
3022 1 6 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.000 0.421 25627
3023 1 6 . 1 1 71 71 LYS CB C 71 32.077 32.077 31.975 0.102 25627
3024 1 6 . 1 1 71 71 LYS H H 71 8.047 8.047 8.431 -0.384 25627
3025 1 6 . 1 1 72 72 GLU N N 72 113.242 113.242 119.560 -6.318 25627
3026 1 6 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.338 0.040 25627
3027 1 6 . 1 1 72 72 GLU C C 72 175.018 175.018 175.614 -0.596 25627
3028 1 6 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.923 -1.116 25627
3029 1 6 . 1 1 72 72 GLU CB C 72 30.432 30.432 30.611 -0.179 25627
3030 1 6 . 1 1 72 72 GLU H H 72 7.335 7.335 7.525 -0.190 25627
3031 1 6 . 1 1 73 73 ARG N N 73 118.120 118.120 123.116 -4.996 25627
3032 1 6 . 1 1 73 73 ARG HA H 73 3.354 3.354 4.385 -1.031 25627
3033 1 6 . 1 1 73 73 ARG C C 73 175.859 175.859 175.968 -0.109 25627
3034 1 6 . 1 1 73 73 ARG CA C 73 57.674 57.674 55.948 1.726 25627
3035 1 6 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.333 0.801 25627
3036 1 6 . 1 1 73 73 ARG H H 73 8.174 8.174 8.485 -0.311 25627
3037 1 6 . 1 1 74 74 GLU N N 74 127.360 127.360 125.068 2.292 25627
3038 1 6 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.330 0.163 25627
3039 1 6 . 1 1 74 74 GLU C C 74 176.415 176.415 175.435 0.980 25627
3040 1 6 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.677 1.384 25627
3041 1 6 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.843 3.619 25627
3042 1 6 . 1 1 74 74 GLU H H 74 10.788 10.788 8.568 2.220 25627
3043 1 6 . 1 1 75 75 CYS N N 75 123.441 123.441 119.792 3.649 25627
3044 1 6 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.469 -0.993 25627
3045 1 6 . 1 1 75 75 CYS C C 75 174.198 174.198 173.846 0.352 25627
3046 1 6 . 1 1 75 75 CYS CA C 75 59.022 59.022 58.214 0.808 25627
3047 1 6 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.179 -1.957 25627
3048 1 6 . 1 1 75 75 CYS H H 75 9.198 9.198 7.501 1.697 25627
3049 1 6 . 1 1 76 76 GLU N N 76 131.177 131.177 125.905 5.272 25627
3050 1 6 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.334 -0.339 25627
3051 1 6 . 1 1 76 76 GLU C C 76 177.122 177.122 175.857 1.265 25627
3052 1 6 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.821 1.995 25627
3053 1 6 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.485 -1.817 25627
3054 1 6 . 1 1 76 76 GLU H H 76 8.452 8.452 8.163 0.289 25627
3055 1 6 . 1 1 77 77 ASP N N 77 123.154 123.154 120.985 2.169 25627
3056 1 6 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.416 -0.080 25627
3057 1 6 . 1 1 77 77 ASP C C 77 179.545 179.545 177.754 1.791 25627
3058 1 6 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.660 0.950 25627
3059 1 6 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.494 -0.545 25627
3060 1 6 . 1 1 77 77 ASP H H 77 9.067 9.067 8.909 0.158 25627
3061 1 6 . 1 1 78 78 LYS N N 78 116.055 116.055 117.111 -1.056 25627
3062 1 6 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.078 0.220 25627
3063 1 6 . 1 1 78 78 LYS C C 78 176.146 176.146 178.486 -2.340 25627
3064 1 6 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.077 -0.593 25627
3065 1 6 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.018 -0.178 25627
3066 1 6 . 1 1 78 78 LYS H H 78 8.664 8.664 8.252 0.412 25627
3067 1 6 . 1 1 79 79 GLU N N 79 117.481 117.481 120.119 -2.638 25627
3068 1 6 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.232 0.215 25627
3069 1 6 . 1 1 79 79 GLU C C 79 177.666 177.666 178.843 -1.177 25627
3070 1 6 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.603 -2.998 25627
3071 1 6 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.864 1.124 25627
3072 1 6 . 1 1 79 79 GLU H H 79 7.735 7.735 8.461 -0.726 25627
3073 1 6 . 1 1 80 80 VAL N N 80 121.192 121.192 119.899 1.293 25627
3074 1 6 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.619 -0.376 25627
3075 1 6 . 1 1 80 80 VAL C C 80 176.731 176.731 178.042 -1.311 25627
3076 1 6 . 1 1 80 80 VAL CA C 80 66.875 66.875 67.071 -0.196 25627
3077 1 6 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.456 0.717 25627
3078 1 6 . 1 1 80 80 VAL H H 80 7.274 7.274 7.795 -0.521 25627
3079 1 6 . 1 1 81 81 HIS N N 81 112.861 112.861 115.461 -2.600 25627
3080 1 6 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.409 0.239 25627
3081 1 6 . 1 1 81 81 HIS C C 81 175.330 175.330 177.050 -1.720 25627
3082 1 6 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.346 -1.599 25627
3083 1 6 . 1 1 81 81 HIS CB C 81 29.180 29.180 29.677 -0.497 25627
3084 1 6 . 1 1 81 81 HIS H H 81 8.157 8.157 7.680 0.477 25627
3085 1 6 . 1 1 82 82 LYS N N 82 117.850 117.850 117.615 0.235 25627
3086 1 6 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.171 -0.160 25627
3087 1 6 . 1 1 82 82 LYS C C 82 177.430 177.430 177.070 0.360 25627
3088 1 6 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.967 -1.376 25627
3089 1 6 . 1 1 82 82 LYS CB C 82 33.083 33.083 33.016 0.067 25627
3090 1 6 . 1 1 82 82 LYS H H 82 7.264 7.264 7.563 -0.299 25627
3091 1 6 . 1 1 83 83 VAL N N 83 123.619 123.619 119.670 3.949 25627
3092 1 6 . 1 1 83 83 VAL HA H 83 3.880 3.880 3.990 -0.110 25627
3093 1 6 . 1 1 83 83 VAL C C 83 175.239 175.239 174.608 0.631 25627
3094 1 6 . 1 1 83 83 VAL CA C 83 63.812 63.812 63.353 0.459 25627
3095 1 6 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.535 -0.987 25627
3096 1 6 . 1 1 83 83 VAL H H 83 8.126 8.126 8.064 0.062 25627
3097 1 6 . 1 1 84 84 LYS N N 84 128.994 128.994 126.748 2.246 25627
3098 1 6 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.878 -0.425 25627
3099 1 6 . 1 1 84 84 LYS C C 84 174.399 174.399 175.403 -1.004 25627
3100 1 6 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.691 1.126 25627
3101 1 6 . 1 1 84 84 LYS CB C 84 34.106 34.106 35.194 -1.088 25627
3102 1 6 . 1 1 84 84 LYS H H 84 9.031 9.031 8.408 0.623 25627
3103 1 6 . 1 1 85 85 VAL N N 85 120.723 120.723 123.819 -3.096 25627
3104 1 6 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.564 -0.534 25627
3105 1 6 . 1 1 85 85 VAL C C 85 175.482 175.482 174.511 0.971 25627
3106 1 6 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.329 0.313 25627
3107 1 6 . 1 1 85 85 VAL CB C 85 32.488 32.488 33.331 -0.843 25627
3108 1 6 . 1 1 85 85 VAL H H 85 8.299 8.299 9.059 -0.760 25627
3109 1 6 . 1 1 86 86 TYR N N 86 126.214 126.214 128.425 -2.211 25627
3110 1 6 . 1 1 86 86 TYR HA H 86 4.726 4.726 5.157 -0.431 25627
3111 1 6 . 1 1 86 86 TYR C C 86 175.214 175.214 174.491 0.723 25627
3112 1 6 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.894 2.647 25627
3113 1 6 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.508 1.544 25627
3114 1 6 . 1 1 86 86 TYR H H 86 8.077 8.077 8.856 -0.779 25627
3115 1 6 . 1 1 87 87 VAL N N 87 123.680 123.680 125.609 -1.929 25627
3116 1 6 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.092 0.104 25627
3117 1 6 . 1 1 87 87 VAL C C 87 174.322 174.322 174.081 0.241 25627
3118 1 6 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.129 2.772 25627
3119 1 6 . 1 1 87 87 VAL CB C 87 33.779 33.779 34.788 -1.009 25627
3120 1 6 . 1 1 87 87 VAL H H 87 8.133 8.133 8.637 -0.504 25627
3121 1 7 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.922 -0.792 25627
3122 1 7 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 54.831 0.018 25627
3123 1 7 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 31.132 0.541 25627
3124 1 7 . 1 1 0 0 MET N N 0 120.413 120.413 119.305 1.108 25627
3125 1 7 . 1 1 0 0 MET HA H 0 4.350 4.350 4.545 -0.195 25627
3126 1 7 . 1 1 0 0 MET C C 0 175.829 175.829 174.586 1.243 25627
3127 1 7 . 1 1 0 0 MET CA C 0 55.134 55.134 55.576 -0.442 25627
3128 1 7 . 1 1 0 0 MET CB C 0 32.391 32.391 33.666 -1.275 25627
3129 1 7 . 1 1 0 0 MET H H 0 8.332 8.332 8.815 -0.483 25627
3130 1 7 . 1 1 1 1 MET N N 1 121.120 121.120 116.904 4.216 25627
3131 1 7 . 1 1 1 1 MET HA H 1 4.443 4.443 4.903 -0.460 25627
3132 1 7 . 1 1 1 1 MET C C 1 175.772 175.772 174.272 1.500 25627
3133 1 7 . 1 1 1 1 MET CA C 1 55.446 55.446 54.668 0.778 25627
3134 1 7 . 1 1 1 1 MET CB C 1 32.774 32.774 35.849 -3.075 25627
3135 1 7 . 1 1 1 1 MET H H 1 8.287 8.287 7.946 0.341 25627
3136 1 7 . 1 1 2 2 ALA N N 2 125.673 125.673 122.864 2.809 25627
3137 1 7 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.227 0.140 25627
3138 1 7 . 1 1 2 2 ALA C C 2 177.821 177.821 177.512 0.309 25627
3139 1 7 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.558 0.010 25627
3140 1 7 . 1 1 2 2 ALA CB C 2 19.237 19.237 18.906 0.331 25627
3141 1 7 . 1 1 2 2 ALA H H 2 8.373 8.373 8.480 -0.107 25627
3142 1 7 . 1 1 3 3 THR N N 3 113.038 113.038 116.211 -3.173 25627
3143 1 7 . 1 1 3 3 THR HA H 3 4.354 4.354 4.019 0.335 25627
3144 1 7 . 1 1 3 3 THR C C 3 174.577 174.577 174.736 -0.159 25627
3145 1 7 . 1 1 3 3 THR CA C 3 61.679 61.679 62.653 -0.974 25627
3146 1 7 . 1 1 3 3 THR CB C 3 69.864 69.864 68.016 1.849 25627
3147 1 7 . 1 1 3 3 THR H H 3 8.099 8.099 8.395 -0.296 25627
3148 1 7 . 1 1 4 4 SER N N 4 117.235 117.235 117.435 -0.200 25627
3149 1 7 . 1 1 4 4 SER HA H 4 4.440 4.440 4.286 0.154 25627
3150 1 7 . 1 1 4 4 SER C C 4 173.887 173.887 175.103 -1.216 25627
3151 1 7 . 1 1 4 4 SER CA C 4 58.314 58.314 60.239 -1.925 25627
3152 1 7 . 1 1 4 4 SER CB C 4 63.951 63.951 63.600 0.351 25627
3153 1 7 . 1 1 4 4 SER H H 4 8.238 8.238 8.403 -0.165 25627
3154 1 7 . 1 1 5 5 ASP N N 5 122.543 122.543 119.027 3.516 25627
3155 1 7 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.685 -0.102 25627
3156 1 7 . 1 1 5 5 ASP C C 5 175.690 175.690 174.229 1.461 25627
3157 1 7 . 1 1 5 5 ASP CA C 5 54.146 54.146 54.314 -0.168 25627
3158 1 7 . 1 1 5 5 ASP CB C 5 41.166 41.166 40.901 0.265 25627
3159 1 7 . 1 1 5 5 ASP H H 5 8.321 8.321 7.856 0.465 25627
3160 1 7 . 1 1 6 6 VAL N N 6 121.235 121.235 121.262 -0.027 25627
3161 1 7 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.344 -0.246 25627
3162 1 7 . 1 1 6 6 VAL C C 6 175.211 175.211 175.405 -0.194 25627
3163 1 7 . 1 1 6 6 VAL CA C 6 62.322 62.322 61.322 1.000 25627
3164 1 7 . 1 1 6 6 VAL CB C 6 32.581 32.581 33.771 -1.190 25627
3165 1 7 . 1 1 6 6 VAL H H 6 7.942 7.942 7.973 -0.031 25627
3166 1 7 . 1 1 7 7 LYS N N 7 125.356 125.356 127.811 -2.455 25627
3167 1 7 . 1 1 7 7 LYS CA C 7 53.311 53.311 53.642 -0.330 25627
3168 1 7 . 1 1 7 7 LYS CB C 7 33.494 33.494 32.547 0.947 25627
3169 1 7 . 1 1 7 7 LYS H H 7 8.383 8.383 8.415 -0.032 25627
3170 1 7 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.402 -0.443 25627
3171 1 7 . 1 1 8 8 PRO C C 8 176.346 176.346 176.111 0.235 25627
3172 1 7 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.051 -0.058 25627
3173 1 7 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.485 -0.482 25627
3174 1 7 . 1 1 9 9 LYS N N 9 122.609 122.609 121.048 1.561 25627
3175 1 7 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.186 0.101 25627
3176 1 7 . 1 1 9 9 LYS C C 9 177.164 177.164 176.876 0.288 25627
3177 1 7 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.857 -0.635 25627
3178 1 7 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.344 0.618 25627
3179 1 7 . 1 1 9 9 LYS H H 9 9.393 9.393 8.601 0.792 25627
3180 1 7 . 1 1 10 10 SER N N 10 111.655 111.655 111.594 0.061 25627
3181 1 7 . 1 1 10 10 SER HA H 10 4.563 4.563 4.651 -0.088 25627
3182 1 7 . 1 1 10 10 SER C C 10 171.697 171.697 172.028 -0.331 25627
3183 1 7 . 1 1 10 10 SER CA C 10 57.614 57.614 58.188 -0.574 25627
3184 1 7 . 1 1 10 10 SER CB C 10 64.687 64.687 66.173 -1.486 25627
3185 1 7 . 1 1 10 10 SER H H 10 7.846 7.846 7.737 0.109 25627
3186 1 7 . 1 1 11 11 ILE N N 11 121.054 121.054 120.776 0.278 25627
3187 1 7 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.521 0.010 25627
3188 1 7 . 1 1 11 11 ILE C C 11 175.460 175.460 175.478 -0.018 25627
3189 1 7 . 1 1 11 11 ILE CA C 11 60.794 60.794 61.134 -0.340 25627
3190 1 7 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.027 0.078 25627
3191 1 7 . 1 1 11 11 ILE H H 11 8.128 8.128 8.511 -0.383 25627
3192 1 7 . 1 1 12 12 SER N N 12 122.340 122.340 122.360 -0.020 25627
3193 1 7 . 1 1 12 12 SER HA H 12 4.757 4.757 4.975 -0.218 25627
3194 1 7 . 1 1 12 12 SER C C 12 172.771 172.771 172.819 -0.048 25627
3195 1 7 . 1 1 12 12 SER CA C 12 56.498 56.498 57.051 -0.553 25627
3196 1 7 . 1 1 12 12 SER CB C 12 65.418 65.418 65.775 -0.357 25627
3197 1 7 . 1 1 12 12 SER H H 12 8.782 8.782 8.850 -0.068 25627
3198 1 7 . 1 1 13 13 ARG N N 13 119.603 119.603 120.060 -0.457 25627
3199 1 7 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.461 0.415 25627
3200 1 7 . 1 1 13 13 ARG C C 13 176.720 176.720 175.829 0.891 25627
3201 1 7 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.694 -0.386 25627
3202 1 7 . 1 1 13 13 ARG CB C 13 31.754 31.754 32.014 -0.260 25627
3203 1 7 . 1 1 13 13 ARG H H 13 8.374 8.374 8.460 -0.086 25627
3204 1 7 . 1 1 14 14 ALA N N 14 127.004 127.004 127.691 -0.687 25627
3205 1 7 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.308 -0.198 25627
3206 1 7 . 1 1 14 14 ALA C C 14 176.523 176.523 177.170 -0.647 25627
3207 1 7 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.166 0.376 25627
3208 1 7 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.873 0.214 25627
3209 1 7 . 1 1 14 14 ALA H H 14 8.725 8.725 8.537 0.188 25627
3210 1 7 . 1 1 15 15 LYS N N 15 117.157 117.157 120.055 -2.898 25627
3211 1 7 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.208 0.164 25627
3212 1 7 . 1 1 15 15 LYS C C 15 176.383 176.383 176.263 0.120 25627
3213 1 7 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.420 -0.795 25627
3214 1 7 . 1 1 15 15 LYS CB C 15 34.610 34.610 32.917 1.693 25627
3215 1 7 . 1 1 15 15 LYS H H 15 8.518 8.518 8.599 -0.081 25627
3216 1 7 . 1 1 16 16 LYS N N 16 116.265 116.265 118.007 -1.742 25627
3217 1 7 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.446 0.129 25627
3218 1 7 . 1 1 16 16 LYS C C 16 174.584 174.584 174.397 0.187 25627
3219 1 7 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.839 -0.145 25627
3220 1 7 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.460 1.144 25627
3221 1 7 . 1 1 16 16 LYS H H 16 7.429 7.429 7.690 -0.261 25627
3222 1 7 . 1 1 17 17 TRP N N 17 123.638 123.638 121.312 2.326 25627
3223 1 7 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.557 -0.772 25627
3224 1 7 . 1 1 17 17 TRP C C 17 174.781 174.781 174.742 0.039 25627
3225 1 7 . 1 1 17 17 TRP CA C 17 61.877 61.877 57.810 4.067 25627
3226 1 7 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.940 -1.019 25627
3227 1 7 . 1 1 17 17 TRP H H 17 9.412 9.412 8.531 0.881 25627
3228 1 7 . 1 1 18 18 SER N N 18 119.926 119.926 118.100 1.826 25627
3229 1 7 . 1 1 18 18 SER HA H 18 3.831 3.831 3.827 0.004 25627
3230 1 7 . 1 1 18 18 SER C C 18 172.100 172.100 174.294 -2.194 25627
3231 1 7 . 1 1 18 18 SER CA C 18 56.830 56.830 56.090 0.740 25627
3232 1 7 . 1 1 18 18 SER CB C 18 66.241 66.241 66.275 -0.034 25627
3233 1 7 . 1 1 18 18 SER H H 18 6.081 6.081 7.295 -1.214 25627
3234 1 7 . 1 1 19 19 GLU N N 19 120.673 120.673 122.423 -1.750 25627
3235 1 7 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.861 -0.214 25627
3236 1 7 . 1 1 19 19 GLU C C 19 177.682 177.682 177.606 0.076 25627
3237 1 7 . 1 1 19 19 GLU CA C 19 60.579 60.579 58.965 1.614 25627
3238 1 7 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.174 -0.551 25627
3239 1 7 . 1 1 19 19 GLU H H 19 9.355 9.355 8.626 0.729 25627
3240 1 7 . 1 1 20 20 GLU N N 20 117.979 117.979 119.292 -1.313 25627
3241 1 7 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.007 0.217 25627
3242 1 7 . 1 1 20 20 GLU C C 20 179.454 179.454 178.359 1.095 25627
3243 1 7 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.958 0.293 25627
3244 1 7 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.547 0.168 25627
3245 1 7 . 1 1 20 20 GLU H H 20 7.946 7.946 7.443 0.503 25627
3246 1 7 . 1 1 21 21 ILE N N 21 121.560 121.560 119.846 1.714 25627
3247 1 7 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.781 -0.004 25627
3248 1 7 . 1 1 21 21 ILE C C 21 176.700 176.700 177.856 -1.156 25627
3249 1 7 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.988 -1.010 25627
3250 1 7 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.540 -0.446 25627
3251 1 7 . 1 1 21 21 ILE H H 21 7.122 7.122 8.048 -0.926 25627
3252 1 7 . 1 1 22 22 GLU N N 22 121.372 121.372 120.336 1.036 25627
3253 1 7 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.902 0.097 25627
3254 1 7 . 1 1 22 22 GLU C C 22 178.416 178.416 178.610 -0.194 25627
3255 1 7 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.123 -1.105 25627
3256 1 7 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.387 -1.235 25627
3257 1 7 . 1 1 22 22 GLU H H 22 8.017 8.017 7.842 0.175 25627
3258 1 7 . 1 1 23 23 ASN N N 23 114.717 114.717 117.539 -2.822 25627
3259 1 7 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.516 0.221 25627
3260 1 7 . 1 1 23 23 ASN C C 23 177.565 177.565 177.688 -0.123 25627
3261 1 7 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.310 0.054 25627
3262 1 7 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.361 0.445 25627
3263 1 7 . 1 1 23 23 ASN H H 23 7.352 7.352 7.704 -0.352 25627
3264 1 7 . 1 1 24 24 LEU N N 24 122.083 122.083 121.489 0.594 25627
3265 1 7 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.957 0.446 25627
3266 1 7 . 1 1 24 24 LEU C C 24 178.487 178.487 178.916 -0.429 25627
3267 1 7 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.102 1.395 25627
3268 1 7 . 1 1 24 24 LEU CB C 24 42.235 42.235 40.732 1.503 25627
3269 1 7 . 1 1 24 24 LEU H H 24 8.232 8.232 7.775 0.457 25627
3270 1 7 . 1 1 25 25 TYR N N 25 118.898 118.898 119.697 -0.799 25627
3271 1 7 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.109 -0.034 25627
3272 1 7 . 1 1 25 25 TYR C C 25 177.164 177.164 177.706 -0.542 25627
3273 1 7 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.373 0.168 25627
3274 1 7 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.085 -0.551 25627
3275 1 7 . 1 1 25 25 TYR H H 25 9.056 9.056 8.669 0.387 25627
3276 1 7 . 1 1 26 26 ARG N N 26 119.000 119.000 118.412 0.588 25627
3277 1 7 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.440 -0.082 25627
3278 1 7 . 1 1 26 26 ARG C C 26 179.709 179.709 178.806 0.903 25627
3279 1 7 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.550 0.719 25627
3280 1 7 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.535 -0.941 25627
3281 1 7 . 1 1 26 26 ARG H H 26 7.672 7.672 7.741 -0.069 25627
3282 1 7 . 1 1 27 27 PHE N N 27 119.640 119.640 120.224 -0.584 25627
3283 1 7 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.127 -0.257 25627
3284 1 7 . 1 1 27 27 PHE C C 27 178.542 178.542 177.946 0.596 25627
3285 1 7 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.053 2.379 25627
3286 1 7 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.621 -0.661 25627
3287 1 7 . 1 1 27 27 PHE H H 27 8.497 8.497 8.820 -0.323 25627
3288 1 7 . 1 1 28 28 GLN N N 28 120.400 120.400 118.685 1.715 25627
3289 1 7 . 1 1 28 28 GLN HA H 28 4.725 4.725 3.995 0.730 25627
3290 1 7 . 1 1 28 28 GLN C C 28 182.258 182.258 178.605 3.653 25627
3291 1 7 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.738 0.225 25627
3292 1 7 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.611 -1.851 25627
3293 1 7 . 1 1 28 28 GLN H H 28 8.995 8.995 8.676 0.319 25627
3294 1 7 . 1 1 29 29 GLN N N 29 122.649 122.649 117.620 5.029 25627
3295 1 7 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.889 0.067 25627
3296 1 7 . 1 1 29 29 GLN C C 29 177.046 177.046 178.141 -1.095 25627
3297 1 7 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.032 0.197 25627
3298 1 7 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.156 1.055 25627
3299 1 7 . 1 1 29 29 GLN H H 29 8.728 8.728 8.048 0.680 25627
3300 1 7 . 1 1 30 30 ALA N N 30 117.672 117.672 118.256 -0.584 25627
3301 1 7 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.885 0.244 25627
3302 1 7 . 1 1 30 30 ALA C C 30 175.371 175.371 176.932 -1.561 25627
3303 1 7 . 1 1 30 30 ALA CA C 30 52.212 52.212 53.085 -0.873 25627
3304 1 7 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.864 0.332 25627
3305 1 7 . 1 1 30 30 ALA H H 30 7.120 7.120 7.791 -0.671 25627
3306 1 7 . 1 1 31 31 GLY N N 31 103.200 103.200 103.015 0.185 25627
3307 1 7 . 1 1 31 31 GLY C C 31 173.625 173.625 173.506 0.119 25627
3308 1 7 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.680 0.628 25627
3309 1 7 . 1 1 31 31 GLY H H 31 7.474 7.474 7.655 -0.181 25627
3310 1 7 . 1 1 32 32 TYR N N 32 121.303 121.303 120.252 1.051 25627
3311 1 7 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.819 0.118 25627
3312 1 7 . 1 1 32 32 TYR C C 32 174.419 174.419 175.782 -1.363 25627
3313 1 7 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.185 1.027 25627
3314 1 7 . 1 1 32 32 TYR CB C 32 42.414 42.414 39.866 2.548 25627
3315 1 7 . 1 1 32 32 TYR H H 32 8.403 8.403 7.862 0.541 25627
3316 1 7 . 1 1 33 33 ARG N N 33 118.245 118.245 118.764 -0.519 25627
3317 1 7 . 1 1 33 33 ARG HA H 33 3.951 3.951 4.024 -0.073 25627
3318 1 7 . 1 1 33 33 ARG C C 33 175.618 175.618 175.332 0.286 25627
3319 1 7 . 1 1 33 33 ARG CA C 33 60.574 60.574 56.747 3.827 25627
3320 1 7 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.704 1.281 25627
3321 1 7 . 1 1 33 33 ARG H H 33 9.571 9.571 8.669 0.902 25627
3322 1 7 . 1 1 34 34 ASP N N 34 105.630 105.630 115.153 -9.523 25627
3323 1 7 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.207 -0.384 25627
3324 1 7 . 1 1 34 34 ASP C C 34 174.754 174.754 175.741 -0.987 25627
3325 1 7 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.621 -0.356 25627
3326 1 7 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.940 -3.121 25627
3327 1 7 . 1 1 34 34 ASP H H 34 6.995 6.995 7.828 -0.833 25627
3328 1 7 . 1 1 35 35 GLU N N 35 118.215 118.215 119.732 -1.517 25627
3329 1 7 . 1 1 35 35 GLU HA H 35 2.903 2.903 4.329 -1.426 25627
3330 1 7 . 1 1 35 35 GLU C C 35 177.043 177.043 178.604 -1.561 25627
3331 1 7 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.634 -1.033 25627
3332 1 7 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.464 0.649 25627
3333 1 7 . 1 1 35 35 GLU H H 35 7.818 7.818 8.405 -0.587 25627
3334 1 7 . 1 1 36 36 ILE N N 36 118.404 118.404 119.582 -1.178 25627
3335 1 7 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.594 -0.173 25627
3336 1 7 . 1 1 36 36 ILE C C 36 179.143 179.143 178.091 1.052 25627
3337 1 7 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.639 -1.179 25627
3338 1 7 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.650 -1.148 25627
3339 1 7 . 1 1 36 36 ILE H H 36 6.833 6.833 7.547 -0.714 25627
3340 1 7 . 1 1 37 37 GLU N N 37 120.573 120.573 119.415 1.158 25627
3341 1 7 . 1 1 37 37 GLU HA H 37 4.006 4.006 3.933 0.073 25627
3342 1 7 . 1 1 37 37 GLU C C 37 178.417 178.417 178.135 0.282 25627
3343 1 7 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.978 0.446 25627
3344 1 7 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.072 0.826 25627
3345 1 7 . 1 1 37 37 GLU H H 37 8.463 8.463 8.190 0.273 25627
3346 1 7 . 1 1 38 38 TYR N N 38 117.942 117.942 120.998 -3.056 25627
3347 1 7 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.281 0.202 25627
3348 1 7 . 1 1 38 38 TYR C C 38 176.772 176.772 177.444 -0.672 25627
3349 1 7 . 1 1 38 38 TYR CA C 38 62.767 62.767 61.136 1.631 25627
3350 1 7 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.274 1.705 25627
3351 1 7 . 1 1 38 38 TYR H H 38 7.949 7.949 7.895 0.054 25627
3352 1 7 . 1 1 39 39 LYS N N 39 115.539 115.539 117.808 -2.269 25627
3353 1 7 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.553 0.095 25627
3354 1 7 . 1 1 39 39 LYS C C 39 179.543 179.543 179.135 0.408 25627
3355 1 7 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.833 0.814 25627
3356 1 7 . 1 1 39 39 LYS CB C 39 32.223 32.223 32.082 0.141 25627
3357 1 7 . 1 1 39 39 LYS H H 39 8.287 8.287 8.492 -0.205 25627
3358 1 7 . 1 1 40 40 GLN N N 40 118.265 118.265 118.398 -0.133 25627
3359 1 7 . 1 1 40 40 GLN HA H 40 4.011 4.011 3.962 0.049 25627
3360 1 7 . 1 1 40 40 GLN C C 40 178.263 178.263 177.919 0.344 25627
3361 1 7 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.485 0.268 25627
3362 1 7 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.675 -0.099 25627
3363 1 7 . 1 1 40 40 GLN H H 40 7.605 7.605 7.505 0.100 25627
3364 1 7 . 1 1 41 41 VAL N N 41 118.627 118.627 118.888 -0.261 25627
3365 1 7 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.621 0.141 25627
3366 1 7 . 1 1 41 41 VAL C C 41 178.092 178.092 177.647 0.445 25627
3367 1 7 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.602 0.107 25627
3368 1 7 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.534 1.108 25627
3369 1 7 . 1 1 41 41 VAL H H 41 8.470 8.470 7.828 0.642 25627
3370 1 7 . 1 1 42 42 LYS N N 42 115.117 115.117 116.280 -1.163 25627
3371 1 7 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.278 -0.028 25627
3372 1 7 . 1 1 42 42 LYS C C 42 176.102 176.102 175.843 0.259 25627
3373 1 7 . 1 1 42 42 LYS CA C 42 53.901 53.901 55.002 -1.101 25627
3374 1 7 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.391 -1.226 25627
3375 1 7 . 1 1 42 42 LYS H H 42 8.263 8.263 7.471 0.792 25627
3376 1 7 . 1 1 43 43 GLN N N 43 116.108 116.108 116.177 -0.069 25627
3377 1 7 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.958 0.010 25627
3378 1 7 . 1 1 43 43 GLN C C 43 175.125 175.125 175.033 0.092 25627
3379 1 7 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.886 -0.331 25627
3380 1 7 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.647 0.265 25627
3381 1 7 . 1 1 43 43 GLN H H 43 7.717 7.717 7.729 -0.012 25627
3382 1 7 . 1 1 44 44 VAL N N 44 110.285 110.285 113.852 -3.567 25627
3383 1 7 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.430 0.128 25627
3384 1 7 . 1 1 44 44 VAL C C 44 175.431 175.431 173.804 1.627 25627
3385 1 7 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.126 0.114 25627
3386 1 7 . 1 1 44 44 VAL CB C 44 34.732 34.732 33.943 0.789 25627
3387 1 7 . 1 1 44 44 VAL H H 44 6.817 6.817 7.674 -0.857 25627
3388 1 7 . 1 1 45 45 ALA N N 45 123.422 123.422 121.592 1.830 25627
3389 1 7 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.562 -0.207 25627
3390 1 7 . 1 1 45 45 ALA C C 45 177.543 177.543 176.778 0.765 25627
3391 1 7 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.162 0.659 25627
3392 1 7 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.865 -0.053 25627
3393 1 7 . 1 1 45 45 ALA H H 45 8.571 8.571 8.195 0.376 25627
3394 1 7 . 1 1 46 46 MET N N 46 114.808 114.808 120.277 -5.469 25627
3395 1 7 . 1 1 46 46 MET HA H 46 4.724 4.724 4.786 -0.062 25627
3396 1 7 . 1 1 46 46 MET C C 46 173.698 173.698 174.633 -0.935 25627
3397 1 7 . 1 1 46 46 MET CA C 46 54.230 54.230 54.803 -0.573 25627
3398 1 7 . 1 1 46 46 MET CB C 46 34.793 34.793 35.925 -1.133 25627
3399 1 7 . 1 1 46 46 MET H H 46 7.657 7.657 7.760 -0.103 25627
3400 1 7 . 1 1 47 47 VAL N N 47 120.757 120.757 123.334 -2.577 25627
3401 1 7 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.445 -0.166 25627
3402 1 7 . 1 1 47 47 VAL C C 47 174.985 174.985 174.890 0.095 25627
3403 1 7 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.265 -0.229 25627
3404 1 7 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.917 -0.091 25627
3405 1 7 . 1 1 47 47 VAL H H 47 8.459 8.459 8.337 0.122 25627
3406 1 7 . 1 1 48 48 ASP N N 48 126.251 126.251 126.588 -0.337 25627
3407 1 7 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.580 -0.107 25627
3408 1 7 . 1 1 48 48 ASP C C 48 175.819 175.819 175.314 0.505 25627
3409 1 7 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.583 0.889 25627
3410 1 7 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.110 1.024 25627
3411 1 7 . 1 1 48 48 ASP H H 48 8.929 8.929 8.716 0.213 25627
3412 1 7 . 1 1 49 49 ARG N N 49 122.995 122.995 122.256 0.739 25627
3413 1 7 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.291 -0.532 25627
3414 1 7 . 1 1 49 49 ARG C C 49 176.363 176.363 175.281 1.082 25627
3415 1 7 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.300 0.314 25627
3416 1 7 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.311 0.159 25627
3417 1 7 . 1 1 49 49 ARG H H 49 8.534 8.534 8.055 0.479 25627
3418 1 7 . 1 1 50 50 TRP N N 50 125.191 125.191 121.644 3.547 25627
3419 1 7 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.118 -0.454 25627
3420 1 7 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.812 -0.217 25627
3421 1 7 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.536 -0.423 25627
3422 1 7 . 1 1 50 50 TRP H H 50 9.111 9.111 8.375 0.736 25627
3423 1 7 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.229 0.116 25627
3424 1 7 . 1 1 51 51 PRO C C 51 178.698 178.698 177.700 0.998 25627
3425 1 7 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.336 -0.762 25627
3426 1 7 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.042 0.121 25627
3427 1 7 . 1 1 52 52 GLU N N 52 116.570 116.570 117.987 -1.417 25627
3428 1 7 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.176 -0.206 25627
3429 1 7 . 1 1 52 52 GLU C C 52 178.031 178.031 177.849 0.182 25627
3430 1 7 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.823 1.935 25627
3431 1 7 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.460 0.154 25627
3432 1 7 . 1 1 52 52 GLU H H 52 9.951 9.951 8.981 0.970 25627
3433 1 7 . 1 1 53 53 THR N N 53 103.788 103.788 106.862 -3.074 25627
3434 1 7 . 1 1 53 53 THR HA H 53 4.135 4.135 4.365 -0.230 25627
3435 1 7 . 1 1 53 53 THR C C 53 175.731 175.731 175.312 0.419 25627
3436 1 7 . 1 1 53 53 THR CA C 53 60.427 60.427 62.283 -1.856 25627
3437 1 7 . 1 1 53 53 THR CB C 53 70.762 70.762 71.828 -1.066 25627
3438 1 7 . 1 1 53 53 THR H H 53 7.120 7.120 7.664 -0.544 25627
3439 1 7 . 1 1 54 54 GLY N N 54 109.195 109.195 111.350 -2.155 25627
3440 1 7 . 1 1 54 54 GLY C C 54 174.593 174.593 173.837 0.756 25627
3441 1 7 . 1 1 54 54 GLY CA C 54 45.748 45.748 44.945 0.803 25627
3442 1 7 . 1 1 54 54 GLY H H 54 8.227 8.227 8.127 0.100 25627
3443 1 7 . 1 1 55 55 TYR N N 55 119.038 119.038 119.734 -0.696 25627
3444 1 7 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.689 1.016 25627
3445 1 7 . 1 1 55 55 TYR C C 55 177.556 177.556 176.494 1.062 25627
3446 1 7 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.465 -3.735 25627
3447 1 7 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.541 -0.800 25627
3448 1 7 . 1 1 55 55 TYR H H 55 7.353 7.353 7.281 0.072 25627
3449 1 7 . 1 1 56 56 VAL N N 56 120.089 120.089 121.833 -1.744 25627
3450 1 7 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.125 -0.512 25627
3451 1 7 . 1 1 56 56 VAL C C 56 174.564 174.564 176.707 -2.143 25627
3452 1 7 . 1 1 56 56 VAL CA C 56 64.767 64.767 63.842 0.925 25627
3453 1 7 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.633 1.134 25627
3454 1 7 . 1 1 56 56 VAL H H 56 8.252 8.252 8.662 -0.410 25627
3455 1 7 . 1 1 57 57 LYS N N 57 127.233 127.233 129.050 -1.817 25627
3456 1 7 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.754 -0.306 25627
3457 1 7 . 1 1 57 57 LYS C C 57 175.256 175.256 176.324 -1.068 25627
3458 1 7 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.232 -1.249 25627
3459 1 7 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.713 1.537 25627
3460 1 7 . 1 1 57 57 LYS H H 57 9.005 9.005 9.058 -0.053 25627
3461 1 7 . 1 1 58 58 LYS N N 58 115.918 115.918 115.442 0.476 25627
3462 1 7 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.097 0.273 25627
3463 1 7 . 1 1 58 58 LYS C C 58 174.030 174.030 175.286 -1.256 25627
3464 1 7 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.170 -0.316 25627
3465 1 7 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.092 -0.268 25627
3466 1 7 . 1 1 58 58 LYS H H 58 6.921 6.921 7.513 -0.592 25627
3467 1 7 . 1 1 59 59 LEU N N 59 121.666 121.666 122.322 -0.656 25627
3468 1 7 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.548 0.101 25627
3469 1 7 . 1 1 59 59 LEU C C 59 174.451 174.451 175.013 -0.562 25627
3470 1 7 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.431 -0.959 25627
3471 1 7 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.457 0.482 25627
3472 1 7 . 1 1 59 59 LEU H H 59 8.793 8.793 9.051 -0.258 25627
3473 1 7 . 1 1 60 60 GLN N N 60 121.710 121.710 123.867 -2.157 25627
3474 1 7 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.389 0.047 25627
3475 1 7 . 1 1 60 60 GLN C C 60 176.636 176.636 175.810 0.826 25627
3476 1 7 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.872 -0.955 25627
3477 1 7 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.553 0.783 25627
3478 1 7 . 1 1 60 60 GLN H H 60 8.879 8.879 8.756 0.123 25627
3479 1 7 . 1 1 61 61 ARG N N 61 126.172 126.172 125.320 0.852 25627
3480 1 7 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.195 0.348 25627
3481 1 7 . 1 1 61 61 ARG C C 61 178.315 178.315 177.837 0.478 25627
3482 1 7 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.951 1.622 25627
3483 1 7 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.681 1.220 25627
3484 1 7 . 1 1 61 61 ARG H H 61 9.387 9.387 8.984 0.403 25627
3485 1 7 . 1 1 62 62 ARG N N 62 123.754 123.754 119.839 3.915 25627
3486 1 7 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.114 -0.246 25627
3487 1 7 . 1 1 62 62 ARG C C 62 176.508 176.508 176.298 0.210 25627
3488 1 7 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.108 1.755 25627
3489 1 7 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.942 -0.478 25627
3490 1 7 . 1 1 62 62 ARG H H 62 9.385 9.385 8.322 1.063 25627
3491 1 7 . 1 1 63 63 ASP N N 63 116.155 116.155 117.621 -1.466 25627
3492 1 7 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.686 -0.255 25627
3493 1 7 . 1 1 63 63 ASP C C 63 176.163 176.163 175.266 0.897 25627
3494 1 7 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.639 -0.453 25627
3495 1 7 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.059 -0.303 25627
3496 1 7 . 1 1 63 63 ASP H H 63 7.505 7.505 8.007 -0.502 25627
3497 1 7 . 1 1 64 64 ASN N N 64 110.183 110.183 114.697 -4.514 25627
3498 1 7 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.254 -0.167 25627
3499 1 7 . 1 1 64 64 ASN C C 64 175.432 175.432 173.593 1.839 25627
3500 1 7 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.617 0.813 25627
3501 1 7 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.249 -0.215 25627
3502 1 7 . 1 1 64 64 ASN H H 64 7.791 7.791 8.164 -0.373 25627
3503 1 7 . 1 1 65 65 THR N N 65 112.736 112.736 110.168 2.568 25627
3504 1 7 . 1 1 65 65 THR HA H 65 4.414 4.414 4.562 -0.148 25627
3505 1 7 . 1 1 65 65 THR C C 65 173.653 173.653 173.554 0.099 25627
3506 1 7 . 1 1 65 65 THR CA C 65 62.342 62.342 60.685 1.657 25627
3507 1 7 . 1 1 65 65 THR CB C 65 70.946 70.946 71.187 -0.241 25627
3508 1 7 . 1 1 65 65 THR H H 65 7.921 7.921 7.140 0.781 25627
3509 1 7 . 1 1 66 66 PHE N N 66 118.850 118.850 125.025 -6.175 25627
3510 1 7 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.397 0.747 25627
3511 1 7 . 1 1 66 66 PHE C C 66 174.762 174.762 174.756 0.006 25627
3512 1 7 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.733 -0.254 25627
3513 1 7 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.311 2.952 25627
3514 1 7 . 1 1 66 66 PHE H H 66 8.926 8.926 9.045 -0.119 25627
3515 1 7 . 1 1 67 67 PHE N N 67 124.259 124.259 126.934 -2.675 25627
3516 1 7 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.731 -0.067 25627
3517 1 7 . 1 1 67 67 PHE C C 67 173.553 173.553 173.207 0.346 25627
3518 1 7 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.250 -0.346 25627
3519 1 7 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.343 -0.006 25627
3520 1 7 . 1 1 67 67 PHE H H 67 9.142 9.142 8.578 0.564 25627
3521 1 7 . 1 1 68 68 TYR N N 68 122.881 122.881 126.626 -3.745 25627
3522 1 7 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.484 0.387 25627
3523 1 7 . 1 1 68 68 TYR C C 68 174.835 174.835 175.096 -0.261 25627
3524 1 7 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.443 -1.050 25627
3525 1 7 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.696 1.493 25627
3526 1 7 . 1 1 68 68 TYR H H 68 8.064 8.064 8.031 0.033 25627
3527 1 7 . 1 1 69 69 TYR N N 69 118.675 118.675 123.618 -4.943 25627
3528 1 7 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.727 0.298 25627
3529 1 7 . 1 1 69 69 TYR C C 69 177.181 177.181 175.323 1.858 25627
3530 1 7 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.096 -0.184 25627
3531 1 7 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.626 1.797 25627
3532 1 7 . 1 1 69 69 TYR H H 69 8.384 8.384 8.751 -0.366 25627
3533 1 7 . 1 1 70 70 ASN N N 70 122.917 122.917 118.582 4.335 25627
3534 1 7 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.821 -0.026 25627
3535 1 7 . 1 1 70 70 ASN C C 70 175.433 175.433 175.763 -0.330 25627
3536 1 7 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.725 0.634 25627
3537 1 7 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.798 -0.422 25627
3538 1 7 . 1 1 70 70 ASN H H 70 9.832 9.832 8.702 1.130 25627
3539 1 7 . 1 1 71 71 LYS N N 71 123.116 123.116 121.947 1.169 25627
3540 1 7 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.345 -2.106 25627
3541 1 7 . 1 1 71 71 LYS C C 71 175.495 175.495 177.362 -1.867 25627
3542 1 7 . 1 1 71 71 LYS CA C 71 58.421 58.421 57.743 0.678 25627
3543 1 7 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.042 0.035 25627
3544 1 7 . 1 1 71 71 LYS H H 71 8.047 8.047 8.656 -0.609 25627
3545 1 7 . 1 1 72 72 GLU N N 72 113.242 113.242 122.232 -8.990 25627
3546 1 7 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.358 0.020 25627
3547 1 7 . 1 1 72 72 GLU C C 72 175.018 175.018 175.479 -0.461 25627
3548 1 7 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.142 -0.335 25627
3549 1 7 . 1 1 72 72 GLU CB C 72 30.432 30.432 28.141 2.291 25627
3550 1 7 . 1 1 72 72 GLU H H 72 7.335 7.335 8.320 -0.985 25627
3551 1 7 . 1 1 73 73 ARG N N 73 118.120 118.120 123.337 -5.217 25627
3552 1 7 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.939 -0.585 25627
3553 1 7 . 1 1 73 73 ARG C C 73 175.859 175.859 175.800 0.059 25627
3554 1 7 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.316 0.357 25627
3555 1 7 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.034 1.100 25627
3556 1 7 . 1 1 73 73 ARG H H 73 8.174 8.174 7.891 0.283 25627
3557 1 7 . 1 1 74 74 GLU N N 74 127.360 127.360 125.371 1.989 25627
3558 1 7 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.195 0.298 25627
3559 1 7 . 1 1 74 74 GLU C C 74 176.415 176.415 175.093 1.322 25627
3560 1 7 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.565 1.496 25627
3561 1 7 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.723 3.739 25627
3562 1 7 . 1 1 74 74 GLU H H 74 10.788 10.788 8.616 2.172 25627
3563 1 7 . 1 1 75 75 CYS N N 75 123.441 123.441 118.806 4.635 25627
3564 1 7 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.399 -0.923 25627
3565 1 7 . 1 1 75 75 CYS C C 75 174.198 174.198 174.119 0.079 25627
3566 1 7 . 1 1 75 75 CYS CA C 75 59.022 59.022 58.638 0.384 25627
3567 1 7 . 1 1 75 75 CYS CB C 75 26.222 26.222 29.016 -2.794 25627
3568 1 7 . 1 1 75 75 CYS H H 75 9.198 9.198 7.901 1.297 25627
3569 1 7 . 1 1 76 76 GLU N N 76 131.177 131.177 122.055 9.122 25627
3570 1 7 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.382 -0.387 25627
3571 1 7 . 1 1 76 76 GLU C C 76 177.122 177.122 175.882 1.240 25627
3572 1 7 . 1 1 76 76 GLU CA C 76 56.816 56.816 55.154 1.662 25627
3573 1 7 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.658 -1.990 25627
3574 1 7 . 1 1 76 76 GLU H H 76 8.452 8.452 8.061 0.391 25627
3575 1 7 . 1 1 77 77 ASP N N 77 123.154 123.154 121.303 1.851 25627
3576 1 7 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.438 -0.102 25627
3577 1 7 . 1 1 77 77 ASP C C 77 179.545 179.545 177.538 2.007 25627
3578 1 7 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.109 1.501 25627
3579 1 7 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.269 -0.320 25627
3580 1 7 . 1 1 77 77 ASP H H 77 9.067 9.067 8.821 0.246 25627
3581 1 7 . 1 1 78 78 LYS N N 78 116.055 116.055 120.399 -4.344 25627
3582 1 7 . 1 1 78 78 LYS HA H 78 4.298 4.298 3.981 0.317 25627
3583 1 7 . 1 1 78 78 LYS C C 78 176.146 176.146 178.652 -2.506 25627
3584 1 7 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.633 -1.149 25627
3585 1 7 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.403 -0.563 25627
3586 1 7 . 1 1 78 78 LYS H H 78 8.664 8.664 8.080 0.584 25627
3587 1 7 . 1 1 79 79 GLU N N 79 117.481 117.481 118.986 -1.505 25627
3588 1 7 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.168 0.279 25627
3589 1 7 . 1 1 79 79 GLU C C 79 177.666 177.666 178.957 -1.291 25627
3590 1 7 . 1 1 79 79 GLU CA C 79 55.605 55.605 59.042 -3.437 25627
3591 1 7 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.472 1.516 25627
3592 1 7 . 1 1 79 79 GLU H H 79 7.735 7.735 8.133 -0.398 25627
3593 1 7 . 1 1 80 80 VAL N N 80 121.192 121.192 119.763 1.429 25627
3594 1 7 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.639 -0.396 25627
3595 1 7 . 1 1 80 80 VAL C C 80 176.731 176.731 177.902 -1.171 25627
3596 1 7 . 1 1 80 80 VAL CA C 80 66.875 66.875 67.010 -0.135 25627
3597 1 7 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.705 0.468 25627
3598 1 7 . 1 1 80 80 VAL H H 80 7.274 7.274 7.536 -0.262 25627
3599 1 7 . 1 1 81 81 HIS N N 81 112.861 112.861 116.459 -3.598 25627
3600 1 7 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.399 0.249 25627
3601 1 7 . 1 1 81 81 HIS C C 81 175.330 175.330 178.205 -2.875 25627
3602 1 7 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.351 -1.604 25627
3603 1 7 . 1 1 81 81 HIS CB C 81 29.180 29.180 29.705 -0.525 25627
3604 1 7 . 1 1 81 81 HIS H H 81 8.157 8.157 7.860 0.297 25627
3605 1 7 . 1 1 82 82 LYS N N 82 117.850 117.850 118.630 -0.780 25627
3606 1 7 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.173 -0.162 25627
3607 1 7 . 1 1 82 82 LYS C C 82 177.430 177.430 177.189 0.241 25627
3608 1 7 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.909 -1.318 25627
3609 1 7 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.951 0.132 25627
3610 1 7 . 1 1 82 82 LYS H H 82 7.264 7.264 7.557 -0.293 25627
3611 1 7 . 1 1 83 83 VAL N N 83 123.619 123.619 120.121 3.498 25627
3612 1 7 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.068 -0.188 25627
3613 1 7 . 1 1 83 83 VAL C C 83 175.239 175.239 174.881 0.358 25627
3614 1 7 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.160 1.652 25627
3615 1 7 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.454 -0.906 25627
3616 1 7 . 1 1 83 83 VAL H H 83 8.126 8.126 7.952 0.174 25627
3617 1 7 . 1 1 84 84 LYS N N 84 128.994 128.994 126.673 2.321 25627
3618 1 7 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.821 -0.368 25627
3619 1 7 . 1 1 84 84 LYS C C 84 174.399 174.399 175.320 -0.921 25627
3620 1 7 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.549 1.268 25627
3621 1 7 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.693 -0.587 25627
3622 1 7 . 1 1 84 84 LYS H H 84 9.031 9.031 8.083 0.948 25627
3623 1 7 . 1 1 85 85 VAL N N 85 120.723 120.723 123.879 -3.156 25627
3624 1 7 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.486 -0.456 25627
3625 1 7 . 1 1 85 85 VAL C C 85 175.482 175.482 175.446 0.036 25627
3626 1 7 . 1 1 85 85 VAL CA C 85 61.642 61.642 60.804 0.838 25627
3627 1 7 . 1 1 85 85 VAL CB C 85 32.488 32.488 32.621 -0.133 25627
3628 1 7 . 1 1 85 85 VAL H H 85 8.299 8.299 8.289 0.010 25627
3629 1 7 . 1 1 86 86 TYR N N 86 126.214 126.214 128.522 -2.308 25627
3630 1 7 . 1 1 86 86 TYR HA H 86 4.726 4.726 5.020 -0.294 25627
3631 1 7 . 1 1 86 86 TYR C C 86 175.214 175.214 174.999 0.215 25627
3632 1 7 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.672 2.868 25627
3633 1 7 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.454 1.598 25627
3634 1 7 . 1 1 86 86 TYR H H 86 8.077 8.077 8.780 -0.703 25627
3635 1 7 . 1 1 87 87 VAL N N 87 123.680 123.680 118.797 4.883 25627
3636 1 7 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.180 0.016 25627
3637 1 7 . 1 1 87 87 VAL C C 87 174.322 174.322 174.088 0.234 25627
3638 1 7 . 1 1 87 87 VAL CA C 87 61.901 61.901 60.346 1.555 25627
3639 1 7 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.155 0.624 25627
3640 1 7 . 1 1 87 87 VAL H H 87 8.133 8.133 8.694 -0.561 25627
3641 1 8 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.699 -0.569 25627
3642 1 8 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 56.291 -1.442 25627
3643 1 8 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 29.515 2.158 25627
3644 1 8 . 1 1 0 0 MET N N 0 120.413 120.413 126.173 -5.760 25627
3645 1 8 . 1 1 0 0 MET HA H 0 4.350 4.350 4.333 0.017 25627
3646 1 8 . 1 1 0 0 MET C C 0 175.829 175.829 174.561 1.268 25627
3647 1 8 . 1 1 0 0 MET CA C 0 55.134 55.134 55.965 -0.831 25627
3648 1 8 . 1 1 0 0 MET CB C 0 32.391 32.391 33.800 -1.409 25627
3649 1 8 . 1 1 0 0 MET H H 0 8.332 8.332 8.197 0.135 25627
3650 1 8 . 1 1 1 1 MET N N 1 121.120 121.120 123.480 -2.360 25627
3651 1 8 . 1 1 1 1 MET HA H 1 4.443 4.443 4.686 -0.243 25627
3652 1 8 . 1 1 1 1 MET C C 1 175.772 175.772 175.886 -0.114 25627
3653 1 8 . 1 1 1 1 MET CA C 1 55.446 55.446 55.078 0.368 25627
3654 1 8 . 1 1 1 1 MET CB C 1 32.774 32.774 33.871 -1.097 25627
3655 1 8 . 1 1 1 1 MET H H 1 8.287 8.287 8.221 0.066 25627
3656 1 8 . 1 1 2 2 ALA N N 2 125.673 125.673 127.599 -1.926 25627
3657 1 8 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.411 -0.044 25627
3658 1 8 . 1 1 2 2 ALA C C 2 177.821 177.821 177.568 0.253 25627
3659 1 8 . 1 1 2 2 ALA CA C 2 52.568 52.568 51.744 0.824 25627
3660 1 8 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.473 -0.236 25627
3661 1 8 . 1 1 2 2 ALA H H 2 8.373 8.373 8.353 0.020 25627
3662 1 8 . 1 1 3 3 THR N N 3 113.038 113.038 110.812 2.226 25627
3663 1 8 . 1 1 3 3 THR HA H 3 4.354 4.354 4.172 0.182 25627
3664 1 8 . 1 1 3 3 THR C C 3 174.577 174.577 174.980 -0.403 25627
3665 1 8 . 1 1 3 3 THR CA C 3 61.679 61.679 63.364 -1.685 25627
3666 1 8 . 1 1 3 3 THR CB C 3 69.864 69.864 69.224 0.640 25627
3667 1 8 . 1 1 3 3 THR H H 3 8.099 8.099 8.171 -0.072 25627
3668 1 8 . 1 1 4 4 SER N N 4 117.235 117.235 116.671 0.564 25627
3669 1 8 . 1 1 4 4 SER HA H 4 4.440 4.440 4.622 -0.182 25627
3670 1 8 . 1 1 4 4 SER C C 4 173.887 173.887 173.353 0.534 25627
3671 1 8 . 1 1 4 4 SER CA C 4 58.314 58.314 56.829 1.485 25627
3672 1 8 . 1 1 4 4 SER CB C 4 63.951 63.951 62.911 1.040 25627
3673 1 8 . 1 1 4 4 SER H H 4 8.238 8.238 7.949 0.289 25627
3674 1 8 . 1 1 5 5 ASP N N 5 122.543 122.543 121.275 1.268 25627
3675 1 8 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.815 -0.232 25627
3676 1 8 . 1 1 5 5 ASP C C 5 175.690 175.690 175.050 0.640 25627
3677 1 8 . 1 1 5 5 ASP CA C 5 54.146 54.146 52.956 1.190 25627
3678 1 8 . 1 1 5 5 ASP CB C 5 41.166 41.166 40.113 1.053 25627
3679 1 8 . 1 1 5 5 ASP H H 5 8.321 8.321 7.899 0.422 25627
3680 1 8 . 1 1 6 6 VAL N N 6 121.235 121.235 121.112 0.123 25627
3681 1 8 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.124 -0.026 25627
3682 1 8 . 1 1 6 6 VAL C C 6 175.211 175.211 175.825 -0.614 25627
3683 1 8 . 1 1 6 6 VAL CA C 6 62.322 62.322 61.937 0.385 25627
3684 1 8 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.877 -0.296 25627
3685 1 8 . 1 1 6 6 VAL H H 6 7.942 7.942 8.160 -0.218 25627
3686 1 8 . 1 1 7 7 LYS N N 7 125.356 125.356 129.284 -3.928 25627
3687 1 8 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.190 -0.879 25627
3688 1 8 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.628 1.866 25627
3689 1 8 . 1 1 7 7 LYS H H 7 8.383 8.383 8.392 -0.009 25627
3690 1 8 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.511 -0.552 25627
3691 1 8 . 1 1 8 8 PRO C C 8 176.346 176.346 176.411 -0.065 25627
3692 1 8 . 1 1 8 8 PRO CA C 8 62.993 62.993 62.367 0.626 25627
3693 1 8 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.649 -0.646 25627
3694 1 8 . 1 1 9 9 LYS N N 9 122.609 122.609 121.617 0.992 25627
3695 1 8 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.269 0.018 25627
3696 1 8 . 1 1 9 9 LYS C C 9 177.164 177.164 176.855 0.309 25627
3697 1 8 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.775 -0.553 25627
3698 1 8 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.573 0.389 25627
3699 1 8 . 1 1 9 9 LYS H H 9 9.393 9.393 8.645 0.748 25627
3700 1 8 . 1 1 10 10 SER N N 10 111.655 111.655 112.243 -0.588 25627
3701 1 8 . 1 1 10 10 SER HA H 10 4.563 4.563 4.776 -0.213 25627
3702 1 8 . 1 1 10 10 SER C C 10 171.697 171.697 172.173 -0.476 25627
3703 1 8 . 1 1 10 10 SER CA C 10 57.614 57.614 57.917 -0.303 25627
3704 1 8 . 1 1 10 10 SER CB C 10 64.687 64.687 66.998 -2.311 25627
3705 1 8 . 1 1 10 10 SER H H 10 7.846 7.846 8.358 -0.512 25627
3706 1 8 . 1 1 11 11 ILE N N 11 121.054 121.054 122.050 -0.996 25627
3707 1 8 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.793 -0.262 25627
3708 1 8 . 1 1 11 11 ILE C C 11 175.460 175.460 175.870 -0.410 25627
3709 1 8 . 1 1 11 11 ILE CA C 11 60.794 60.794 59.717 1.077 25627
3710 1 8 . 1 1 11 11 ILE CB C 11 41.105 41.105 39.916 1.189 25627
3711 1 8 . 1 1 11 11 ILE H H 11 8.128 8.128 8.579 -0.451 25627
3712 1 8 . 1 1 12 12 SER N N 12 122.340 122.340 123.009 -0.669 25627
3713 1 8 . 1 1 12 12 SER HA H 12 4.757 4.757 4.902 -0.145 25627
3714 1 8 . 1 1 12 12 SER C C 12 172.771 172.771 172.833 -0.062 25627
3715 1 8 . 1 1 12 12 SER CA C 12 56.498 56.498 56.974 -0.476 25627
3716 1 8 . 1 1 12 12 SER CB C 12 65.418 65.418 65.965 -0.547 25627
3717 1 8 . 1 1 12 12 SER H H 12 8.782 8.782 9.201 -0.419 25627
3718 1 8 . 1 1 13 13 ARG N N 13 119.603 119.603 120.974 -1.371 25627
3719 1 8 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.437 0.439 25627
3720 1 8 . 1 1 13 13 ARG C C 13 176.720 176.720 175.995 0.725 25627
3721 1 8 . 1 1 13 13 ARG CA C 13 54.308 54.308 53.862 0.445 25627
3722 1 8 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.628 0.126 25627
3723 1 8 . 1 1 13 13 ARG H H 13 8.374 8.374 8.563 -0.189 25627
3724 1 8 . 1 1 14 14 ALA N N 14 127.004 127.004 129.045 -2.041 25627
3725 1 8 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.099 0.011 25627
3726 1 8 . 1 1 14 14 ALA C C 14 176.523 176.523 176.236 0.287 25627
3727 1 8 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.465 0.077 25627
3728 1 8 . 1 1 14 14 ALA CB C 14 20.087 20.087 20.117 -0.031 25627
3729 1 8 . 1 1 14 14 ALA H H 14 8.725 8.725 8.185 0.540 25627
3730 1 8 . 1 1 15 15 LYS N N 15 117.157 117.157 121.367 -4.210 25627
3731 1 8 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.271 0.101 25627
3732 1 8 . 1 1 15 15 LYS C C 15 176.383 176.383 176.420 -0.037 25627
3733 1 8 . 1 1 15 15 LYS CA C 15 56.626 56.626 56.910 -0.284 25627
3734 1 8 . 1 1 15 15 LYS CB C 15 34.610 34.610 32.812 1.798 25627
3735 1 8 . 1 1 15 15 LYS H H 15 8.518 8.518 8.587 -0.069 25627
3736 1 8 . 1 1 16 16 LYS N N 16 116.265 116.265 118.625 -2.360 25627
3737 1 8 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.481 0.094 25627
3738 1 8 . 1 1 16 16 LYS C C 16 174.584 174.584 174.292 0.292 25627
3739 1 8 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.804 -0.110 25627
3740 1 8 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.631 0.973 25627
3741 1 8 . 1 1 16 16 LYS H H 16 7.429 7.429 7.700 -0.271 25627
3742 1 8 . 1 1 17 17 TRP N N 17 123.638 123.638 124.000 -0.362 25627
3743 1 8 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.478 -0.693 25627
3744 1 8 . 1 1 17 17 TRP C C 17 174.781 174.781 175.263 -0.482 25627
3745 1 8 . 1 1 17 17 TRP CA C 17 61.877 61.877 59.301 2.576 25627
3746 1 8 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.675 -0.754 25627
3747 1 8 . 1 1 17 17 TRP H H 17 9.412 9.412 8.665 0.747 25627
3748 1 8 . 1 1 18 18 SER N N 18 119.926 119.926 118.755 1.171 25627
3749 1 8 . 1 1 18 18 SER HA H 18 3.831 3.831 3.857 -0.026 25627
3750 1 8 . 1 1 18 18 SER C C 18 172.100 172.100 174.299 -2.199 25627
3751 1 8 . 1 1 18 18 SER CA C 18 56.830 56.830 56.298 0.532 25627
3752 1 8 . 1 1 18 18 SER CB C 18 66.241 66.241 66.459 -0.218 25627
3753 1 8 . 1 1 18 18 SER H H 18 6.081 6.081 7.069 -0.988 25627
3754 1 8 . 1 1 19 19 GLU N N 19 120.673 120.673 121.637 -0.964 25627
3755 1 8 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.966 -0.319 25627
3756 1 8 . 1 1 19 19 GLU C C 19 177.682 177.682 177.913 -0.231 25627
3757 1 8 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.151 1.428 25627
3758 1 8 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.169 -0.546 25627
3759 1 8 . 1 1 19 19 GLU H H 19 9.355 9.355 8.729 0.626 25627
3760 1 8 . 1 1 20 20 GLU N N 20 117.979 117.979 119.793 -1.814 25627
3761 1 8 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.069 0.155 25627
3762 1 8 . 1 1 20 20 GLU C C 20 179.454 179.454 178.559 0.895 25627
3763 1 8 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.734 0.517 25627
3764 1 8 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.242 0.472 25627
3765 1 8 . 1 1 20 20 GLU H H 20 7.946 7.946 7.584 0.362 25627
3766 1 8 . 1 1 21 21 ILE N N 21 121.560 121.560 119.621 1.939 25627
3767 1 8 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.756 0.021 25627
3768 1 8 . 1 1 21 21 ILE C C 21 176.700 176.700 177.914 -1.214 25627
3769 1 8 . 1 1 21 21 ILE CA C 21 61.978 61.978 63.377 -1.399 25627
3770 1 8 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.495 -0.401 25627
3771 1 8 . 1 1 21 21 ILE H H 21 7.122 7.122 7.129 -0.007 25627
3772 1 8 . 1 1 22 22 GLU N N 22 121.372 121.372 120.682 0.690 25627
3773 1 8 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.994 0.005 25627
3774 1 8 . 1 1 22 22 GLU C C 22 178.416 178.416 178.868 -0.452 25627
3775 1 8 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.239 -1.221 25627
3776 1 8 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.192 -1.040 25627
3777 1 8 . 1 1 22 22 GLU H H 22 8.017 8.017 8.470 -0.453 25627
3778 1 8 . 1 1 23 23 ASN N N 23 114.717 114.717 117.886 -3.169 25627
3779 1 8 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.583 0.154 25627
3780 1 8 . 1 1 23 23 ASN C C 23 177.565 177.565 177.846 -0.281 25627
3781 1 8 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.332 0.032 25627
3782 1 8 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.277 0.529 25627
3783 1 8 . 1 1 23 23 ASN H H 23 7.352 7.352 7.815 -0.463 25627
3784 1 8 . 1 1 24 24 LEU N N 24 122.083 122.083 121.376 0.707 25627
3785 1 8 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.996 0.407 25627
3786 1 8 . 1 1 24 24 LEU C C 24 178.487 178.487 179.167 -0.680 25627
3787 1 8 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.187 1.310 25627
3788 1 8 . 1 1 24 24 LEU CB C 24 42.235 42.235 40.771 1.464 25627
3789 1 8 . 1 1 24 24 LEU H H 24 8.232 8.232 7.586 0.646 25627
3790 1 8 . 1 1 25 25 TYR N N 25 118.898 118.898 119.723 -0.825 25627
3791 1 8 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.144 -0.069 25627
3792 1 8 . 1 1 25 25 TYR C C 25 177.164 177.164 177.737 -0.573 25627
3793 1 8 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.555 -0.014 25627
3794 1 8 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.217 -0.682 25627
3795 1 8 . 1 1 25 25 TYR H H 25 9.056 9.056 8.644 0.412 25627
3796 1 8 . 1 1 26 26 ARG N N 26 119.000 119.000 118.808 0.192 25627
3797 1 8 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.635 -0.277 25627
3798 1 8 . 1 1 26 26 ARG C C 26 179.709 179.709 178.945 0.764 25627
3799 1 8 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.649 0.620 25627
3800 1 8 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.780 -1.186 25627
3801 1 8 . 1 1 26 26 ARG H H 26 7.672 7.672 7.950 -0.278 25627
3802 1 8 . 1 1 27 27 PHE N N 27 119.640 119.640 119.780 -0.140 25627
3803 1 8 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.171 -0.301 25627
3804 1 8 . 1 1 27 27 PHE C C 27 178.542 178.542 178.018 0.524 25627
3805 1 8 . 1 1 27 27 PHE CA C 27 64.432 64.432 61.692 2.740 25627
3806 1 8 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.452 -0.492 25627
3807 1 8 . 1 1 27 27 PHE H H 27 8.497 8.497 9.111 -0.614 25627
3808 1 8 . 1 1 28 28 GLN N N 28 120.400 120.400 118.903 1.497 25627
3809 1 8 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.030 0.695 25627
3810 1 8 . 1 1 28 28 GLN C C 28 182.258 182.258 178.619 3.639 25627
3811 1 8 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.780 0.183 25627
3812 1 8 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.634 -1.873 25627
3813 1 8 . 1 1 28 28 GLN H H 28 8.995 8.995 8.648 0.347 25627
3814 1 8 . 1 1 29 29 GLN N N 29 122.649 122.649 117.553 5.096 25627
3815 1 8 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.871 0.085 25627
3816 1 8 . 1 1 29 29 GLN C C 29 177.046 177.046 178.130 -1.084 25627
3817 1 8 . 1 1 29 29 GLN CA C 29 58.229 58.229 57.875 0.354 25627
3818 1 8 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.153 1.058 25627
3819 1 8 . 1 1 29 29 GLN H H 29 8.728 8.728 8.067 0.661 25627
3820 1 8 . 1 1 30 30 ALA N N 30 117.672 117.672 117.751 -0.079 25627
3821 1 8 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.853 0.276 25627
3822 1 8 . 1 1 30 30 ALA C C 30 175.371 175.371 176.870 -1.499 25627
3823 1 8 . 1 1 30 30 ALA CA C 30 52.212 52.212 53.048 -0.836 25627
3824 1 8 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.855 0.341 25627
3825 1 8 . 1 1 30 30 ALA H H 30 7.120 7.120 7.752 -0.632 25627
3826 1 8 . 1 1 31 31 GLY N N 31 103.200 103.200 103.141 0.059 25627
3827 1 8 . 1 1 31 31 GLY C C 31 173.625 173.625 173.917 -0.292 25627
3828 1 8 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.534 0.774 25627
3829 1 8 . 1 1 31 31 GLY H H 31 7.474 7.474 7.659 -0.185 25627
3830 1 8 . 1 1 32 32 TYR N N 32 121.303 121.303 119.797 1.506 25627
3831 1 8 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.868 0.069 25627
3832 1 8 . 1 1 32 32 TYR C C 32 174.419 174.419 175.785 -1.366 25627
3833 1 8 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.083 1.129 25627
3834 1 8 . 1 1 32 32 TYR CB C 32 42.414 42.414 39.957 2.457 25627
3835 1 8 . 1 1 32 32 TYR H H 32 8.403 8.403 7.765 0.638 25627
3836 1 8 . 1 1 33 33 ARG N N 33 118.245 118.245 118.781 -0.536 25627
3837 1 8 . 1 1 33 33 ARG HA H 33 3.951 3.951 4.244 -0.293 25627
3838 1 8 . 1 1 33 33 ARG C C 33 175.618 175.618 175.706 -0.088 25627
3839 1 8 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.555 3.019 25627
3840 1 8 . 1 1 33 33 ARG CB C 33 31.985 31.985 31.041 0.944 25627
3841 1 8 . 1 1 33 33 ARG H H 33 9.571 9.571 8.758 0.812 25627
3842 1 8 . 1 1 34 34 ASP N N 34 105.630 105.630 116.206 -10.576 25627
3843 1 8 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.551 -0.728 25627
3844 1 8 . 1 1 34 34 ASP C C 34 174.754 174.754 176.135 -1.381 25627
3845 1 8 . 1 1 34 34 ASP CA C 34 52.265 52.265 53.300 -1.035 25627
3846 1 8 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.916 -3.097 25627
3847 1 8 . 1 1 34 34 ASP H H 34 6.995 6.995 8.041 -1.046 25627
3848 1 8 . 1 1 35 35 GLU N N 35 118.215 118.215 120.461 -2.246 25627
3849 1 8 . 1 1 35 35 GLU HA H 35 2.903 2.903 4.249 -1.346 25627
3850 1 8 . 1 1 35 35 GLU C C 35 177.043 177.043 178.297 -1.254 25627
3851 1 8 . 1 1 35 35 GLU CA C 35 58.601 58.601 60.292 -1.692 25627
3852 1 8 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.230 0.883 25627
3853 1 8 . 1 1 35 35 GLU H H 35 7.818 7.818 8.536 -0.718 25627
3854 1 8 . 1 1 36 36 ILE N N 36 118.404 118.404 120.381 -1.977 25627
3855 1 8 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.768 -0.347 25627
3856 1 8 . 1 1 36 36 ILE C C 36 179.143 179.143 178.806 0.337 25627
3857 1 8 . 1 1 36 36 ILE CA C 36 64.460 64.460 64.293 0.167 25627
3858 1 8 . 1 1 36 36 ILE CB C 36 36.502 36.502 36.441 0.061 25627
3859 1 8 . 1 1 36 36 ILE H H 36 6.833 6.833 8.310 -1.477 25627
3860 1 8 . 1 1 37 37 GLU N N 37 120.573 120.573 119.941 0.632 25627
3861 1 8 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.275 -0.269 25627
3862 1 8 . 1 1 37 37 GLU C C 37 178.417 178.417 178.784 -0.367 25627
3863 1 8 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.984 0.440 25627
3864 1 8 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.225 0.673 25627
3865 1 8 . 1 1 37 37 GLU H H 37 8.463 8.463 8.131 0.332 25627
3866 1 8 . 1 1 38 38 TYR N N 38 117.942 117.942 121.297 -3.355 25627
3867 1 8 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.274 0.209 25627
3868 1 8 . 1 1 38 38 TYR C C 38 176.772 176.772 177.516 -0.744 25627
3869 1 8 . 1 1 38 38 TYR CA C 38 62.767 62.767 59.291 3.476 25627
3870 1 8 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.099 1.881 25627
3871 1 8 . 1 1 38 38 TYR H H 38 7.949 7.949 8.631 -0.682 25627
3872 1 8 . 1 1 39 39 LYS N N 39 115.539 115.539 117.739 -2.200 25627
3873 1 8 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.494 0.154 25627
3874 1 8 . 1 1 39 39 LYS C C 39 179.543 179.543 179.292 0.251 25627
3875 1 8 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.705 0.942 25627
3876 1 8 . 1 1 39 39 LYS CB C 39 32.223 32.223 32.039 0.184 25627
3877 1 8 . 1 1 39 39 LYS H H 39 8.287 8.287 8.503 -0.216 25627
3878 1 8 . 1 1 40 40 GLN N N 40 118.265 118.265 118.539 -0.274 25627
3879 1 8 . 1 1 40 40 GLN HA H 40 4.011 4.011 3.999 0.012 25627
3880 1 8 . 1 1 40 40 GLN C C 40 178.263 178.263 178.077 0.186 25627
3881 1 8 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.702 0.051 25627
3882 1 8 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.758 -0.182 25627
3883 1 8 . 1 1 40 40 GLN H H 40 7.605 7.605 7.715 -0.110 25627
3884 1 8 . 1 1 41 41 VAL N N 41 118.627 118.627 119.075 -0.448 25627
3885 1 8 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.645 0.117 25627
3886 1 8 . 1 1 41 41 VAL C C 41 178.092 178.092 177.678 0.414 25627
3887 1 8 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.612 0.097 25627
3888 1 8 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.821 0.821 25627
3889 1 8 . 1 1 41 41 VAL H H 41 8.470 8.470 8.079 0.391 25627
3890 1 8 . 1 1 42 42 LYS N N 42 115.117 115.117 116.276 -1.159 25627
3891 1 8 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.388 -0.138 25627
3892 1 8 . 1 1 42 42 LYS C C 42 176.102 176.102 175.763 0.339 25627
3893 1 8 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.800 -0.899 25627
3894 1 8 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.996 -1.831 25627
3895 1 8 . 1 1 42 42 LYS H H 42 8.263 8.263 7.486 0.777 25627
3896 1 8 . 1 1 43 43 GLN N N 43 116.108 116.108 116.961 -0.853 25627
3897 1 8 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.956 0.012 25627
3898 1 8 . 1 1 43 43 GLN C C 43 175.125 175.125 175.265 -0.140 25627
3899 1 8 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.609 -0.054 25627
3900 1 8 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.991 -0.079 25627
3901 1 8 . 1 1 43 43 GLN H H 43 7.717 7.717 7.945 -0.228 25627
3902 1 8 . 1 1 44 44 VAL N N 44 110.285 110.285 112.918 -2.633 25627
3903 1 8 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.331 0.227 25627
3904 1 8 . 1 1 44 44 VAL C C 44 175.431 175.431 174.432 0.999 25627
3905 1 8 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.798 -0.558 25627
3906 1 8 . 1 1 44 44 VAL CB C 44 34.732 34.732 33.322 1.410 25627
3907 1 8 . 1 1 44 44 VAL H H 44 6.817 6.817 7.666 -0.849 25627
3908 1 8 . 1 1 45 45 ALA N N 45 123.422 123.422 120.522 2.900 25627
3909 1 8 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.570 -0.215 25627
3910 1 8 . 1 1 45 45 ALA C C 45 177.543 177.543 176.836 0.707 25627
3911 1 8 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.779 0.042 25627
3912 1 8 . 1 1 45 45 ALA CB C 45 19.812 19.812 20.032 -0.220 25627
3913 1 8 . 1 1 45 45 ALA H H 45 8.571 8.571 8.237 0.334 25627
3914 1 8 . 1 1 46 46 MET N N 46 114.808 114.808 117.357 -2.549 25627
3915 1 8 . 1 1 46 46 MET HA H 46 4.724 4.724 4.858 -0.134 25627
3916 1 8 . 1 1 46 46 MET C C 46 173.698 173.698 174.904 -1.206 25627
3917 1 8 . 1 1 46 46 MET CA C 46 54.230 54.230 54.916 -0.686 25627
3918 1 8 . 1 1 46 46 MET CB C 46 34.793 34.793 34.082 0.711 25627
3919 1 8 . 1 1 46 46 MET H H 46 7.657 7.657 7.604 0.053 25627
3920 1 8 . 1 1 47 47 VAL N N 47 120.757 120.757 122.743 -1.986 25627
3921 1 8 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.344 -0.065 25627
3922 1 8 . 1 1 47 47 VAL C C 47 174.985 174.985 175.479 -0.494 25627
3923 1 8 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.345 -0.309 25627
3924 1 8 . 1 1 47 47 VAL CB C 47 33.826 33.826 34.117 -0.291 25627
3925 1 8 . 1 1 47 47 VAL H H 47 8.459 8.459 8.260 0.199 25627
3926 1 8 . 1 1 48 48 ASP N N 48 126.251 126.251 126.560 -0.309 25627
3927 1 8 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.640 -0.167 25627
3928 1 8 . 1 1 48 48 ASP C C 48 175.819 175.819 175.343 0.476 25627
3929 1 8 . 1 1 48 48 ASP CA C 48 55.472 55.472 53.897 1.575 25627
3930 1 8 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.105 1.029 25627
3931 1 8 . 1 1 48 48 ASP H H 48 8.929 8.929 8.741 0.188 25627
3932 1 8 . 1 1 49 49 ARG N N 49 122.995 122.995 121.315 1.680 25627
3933 1 8 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.333 -0.574 25627
3934 1 8 . 1 1 49 49 ARG C C 49 176.363 176.363 175.775 0.588 25627
3935 1 8 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.755 -0.141 25627
3936 1 8 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.919 -0.449 25627
3937 1 8 . 1 1 49 49 ARG H H 49 8.534 8.534 7.950 0.584 25627
3938 1 8 . 1 1 50 50 TRP N N 50 125.191 125.191 121.381 3.810 25627
3939 1 8 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.073 -0.409 25627
3940 1 8 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.415 0.180 25627
3941 1 8 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.395 -0.281 25627
3942 1 8 . 1 1 50 50 TRP H H 50 9.111 9.111 8.389 0.722 25627
3943 1 8 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.257 0.088 25627
3944 1 8 . 1 1 51 51 PRO C C 51 178.698 178.698 177.531 1.167 25627
3945 1 8 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.189 -0.615 25627
3946 1 8 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.114 0.049 25627
3947 1 8 . 1 1 52 52 GLU N N 52 116.570 116.570 118.339 -1.769 25627
3948 1 8 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.193 -0.223 25627
3949 1 8 . 1 1 52 52 GLU C C 52 178.031 178.031 177.972 0.059 25627
3950 1 8 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.900 1.859 25627
3951 1 8 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.405 0.209 25627
3952 1 8 . 1 1 52 52 GLU H H 52 9.951 9.951 8.938 1.013 25627
3953 1 8 . 1 1 53 53 THR N N 53 103.788 103.788 107.205 -3.417 25627
3954 1 8 . 1 1 53 53 THR HA H 53 4.135 4.135 4.288 -0.153 25627
3955 1 8 . 1 1 53 53 THR C C 53 175.731 175.731 175.283 0.448 25627
3956 1 8 . 1 1 53 53 THR CA C 53 60.427 60.427 62.358 -1.931 25627
3957 1 8 . 1 1 53 53 THR CB C 53 70.762 70.762 71.486 -0.724 25627
3958 1 8 . 1 1 53 53 THR H H 53 7.120 7.120 7.682 -0.562 25627
3959 1 8 . 1 1 54 54 GLY N N 54 109.195 109.195 111.346 -2.151 25627
3960 1 8 . 1 1 54 54 GLY C C 54 174.593 174.593 173.662 0.931 25627
3961 1 8 . 1 1 54 54 GLY CA C 54 45.748 45.748 44.992 0.756 25627
3962 1 8 . 1 1 54 54 GLY H H 54 8.227 8.227 8.078 0.149 25627
3963 1 8 . 1 1 55 55 TYR N N 55 119.038 119.038 118.831 0.207 25627
3964 1 8 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.622 1.083 25627
3965 1 8 . 1 1 55 55 TYR C C 55 177.556 177.556 176.574 0.982 25627
3966 1 8 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.012 -3.282 25627
3967 1 8 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.551 -0.810 25627
3968 1 8 . 1 1 55 55 TYR H H 55 7.353 7.353 7.367 -0.014 25627
3969 1 8 . 1 1 56 56 VAL N N 56 120.089 120.089 121.557 -1.468 25627
3970 1 8 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.049 -0.436 25627
3971 1 8 . 1 1 56 56 VAL C C 56 174.564 174.564 176.882 -2.318 25627
3972 1 8 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.609 0.158 25627
3973 1 8 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.714 1.053 25627
3974 1 8 . 1 1 56 56 VAL H H 56 8.252 8.252 9.181 -0.929 25627
3975 1 8 . 1 1 57 57 LYS N N 57 127.233 127.233 129.042 -1.809 25627
3976 1 8 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.783 -0.335 25627
3977 1 8 . 1 1 57 57 LYS C C 57 175.256 175.256 176.275 -1.019 25627
3978 1 8 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.232 -1.249 25627
3979 1 8 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.874 1.376 25627
3980 1 8 . 1 1 57 57 LYS H H 57 9.005 9.005 9.198 -0.193 25627
3981 1 8 . 1 1 58 58 LYS N N 58 115.918 115.918 115.823 0.095 25627
3982 1 8 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.083 0.287 25627
3983 1 8 . 1 1 58 58 LYS C C 58 174.030 174.030 175.389 -1.359 25627
3984 1 8 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.201 -0.347 25627
3985 1 8 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.075 -0.252 25627
3986 1 8 . 1 1 58 58 LYS H H 58 6.921 6.921 7.775 -0.854 25627
3987 1 8 . 1 1 59 59 LEU N N 59 121.666 121.666 121.512 0.154 25627
3988 1 8 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.664 -0.015 25627
3989 1 8 . 1 1 59 59 LEU C C 59 174.451 174.451 175.057 -0.606 25627
3990 1 8 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.306 -0.834 25627
3991 1 8 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.987 -0.048 25627
3992 1 8 . 1 1 59 59 LEU H H 59 8.793 8.793 9.028 -0.235 25627
3993 1 8 . 1 1 60 60 GLN N N 60 121.710 121.710 123.696 -1.986 25627
3994 1 8 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.490 -0.054 25627
3995 1 8 . 1 1 60 60 GLN C C 60 176.636 176.636 175.482 1.154 25627
3996 1 8 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.807 -0.890 25627
3997 1 8 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.733 0.603 25627
3998 1 8 . 1 1 60 60 GLN H H 60 8.879 8.879 8.588 0.291 25627
3999 1 8 . 1 1 61 61 ARG N N 61 126.172 126.172 123.985 2.187 25627
4000 1 8 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.217 0.326 25627
4001 1 8 . 1 1 61 61 ARG C C 61 178.315 178.315 177.795 0.520 25627
4002 1 8 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.204 2.369 25627
4003 1 8 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.879 1.022 25627
4004 1 8 . 1 1 61 61 ARG H H 61 9.387 9.387 8.672 0.715 25627
4005 1 8 . 1 1 62 62 ARG N N 62 123.754 123.754 120.057 3.697 25627
4006 1 8 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.181 -0.313 25627
4007 1 8 . 1 1 62 62 ARG C C 62 176.508 176.508 176.309 0.199 25627
4008 1 8 . 1 1 62 62 ARG CA C 62 59.863 59.863 57.635 2.228 25627
4009 1 8 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.567 -0.102 25627
4010 1 8 . 1 1 62 62 ARG H H 62 9.385 9.385 8.351 1.034 25627
4011 1 8 . 1 1 63 63 ASP N N 63 116.155 116.155 117.563 -1.408 25627
4012 1 8 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.664 -0.233 25627
4013 1 8 . 1 1 63 63 ASP C C 63 176.163 176.163 175.344 0.819 25627
4014 1 8 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.701 -0.515 25627
4015 1 8 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.174 -0.418 25627
4016 1 8 . 1 1 63 63 ASP H H 63 7.505 7.505 7.997 -0.492 25627
4017 1 8 . 1 1 64 64 ASN N N 64 110.183 110.183 113.925 -3.742 25627
4018 1 8 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.224 -0.137 25627
4019 1 8 . 1 1 64 64 ASN C C 64 175.432 175.432 173.531 1.901 25627
4020 1 8 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.197 1.233 25627
4021 1 8 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.224 -0.190 25627
4022 1 8 . 1 1 64 64 ASN H H 64 7.791 7.791 8.130 -0.339 25627
4023 1 8 . 1 1 65 65 THR N N 65 112.736 112.736 110.265 2.471 25627
4024 1 8 . 1 1 65 65 THR HA H 65 4.414 4.414 4.460 -0.046 25627
4025 1 8 . 1 1 65 65 THR C C 65 173.653 173.653 173.752 -0.099 25627
4026 1 8 . 1 1 65 65 THR CA C 65 62.342 62.342 60.324 2.018 25627
4027 1 8 . 1 1 65 65 THR CB C 65 70.946 70.946 70.810 0.136 25627
4028 1 8 . 1 1 65 65 THR H H 65 7.921 7.921 7.169 0.752 25627
4029 1 8 . 1 1 66 66 PHE N N 66 118.850 118.850 125.119 -6.269 25627
4030 1 8 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.367 0.777 25627
4031 1 8 . 1 1 66 66 PHE C C 66 174.762 174.762 174.949 -0.187 25627
4032 1 8 . 1 1 66 66 PHE CA C 66 58.479 58.479 59.005 -0.526 25627
4033 1 8 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.314 2.949 25627
4034 1 8 . 1 1 66 66 PHE H H 66 8.926 8.926 8.811 0.115 25627
4035 1 8 . 1 1 67 67 PHE N N 67 124.259 124.259 126.832 -2.573 25627
4036 1 8 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.723 -0.059 25627
4037 1 8 . 1 1 67 67 PHE C C 67 173.553 173.553 173.185 0.368 25627
4038 1 8 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.191 -0.287 25627
4039 1 8 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.212 0.125 25627
4040 1 8 . 1 1 67 67 PHE H H 67 9.142 9.142 8.746 0.396 25627
4041 1 8 . 1 1 68 68 TYR N N 68 122.881 122.881 126.718 -3.837 25627
4042 1 8 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.468 0.403 25627
4043 1 8 . 1 1 68 68 TYR C C 68 174.835 174.835 175.085 -0.250 25627
4044 1 8 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.437 -1.044 25627
4045 1 8 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.588 1.601 25627
4046 1 8 . 1 1 68 68 TYR H H 68 8.064 8.064 8.096 -0.032 25627
4047 1 8 . 1 1 69 69 TYR N N 69 118.675 118.675 123.774 -5.099 25627
4048 1 8 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.700 0.325 25627
4049 1 8 . 1 1 69 69 TYR C C 69 177.181 177.181 175.137 2.044 25627
4050 1 8 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.197 -0.284 25627
4051 1 8 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.532 1.891 25627
4052 1 8 . 1 1 69 69 TYR H H 69 8.384 8.384 8.875 -0.491 25627
4053 1 8 . 1 1 70 70 ASN N N 70 122.917 122.917 118.232 4.685 25627
4054 1 8 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.887 -0.092 25627
4055 1 8 . 1 1 70 70 ASN C C 70 175.433 175.433 175.751 -0.318 25627
4056 1 8 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.086 1.273 25627
4057 1 8 . 1 1 70 70 ASN CB C 70 39.377 39.377 40.201 -0.824 25627
4058 1 8 . 1 1 70 70 ASN H H 70 9.832 9.832 8.659 1.173 25627
4059 1 8 . 1 1 71 71 LYS N N 71 123.116 123.116 121.601 1.515 25627
4060 1 8 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.297 -2.058 25627
4061 1 8 . 1 1 71 71 LYS C C 71 175.495 175.495 177.758 -2.263 25627
4062 1 8 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.454 -0.033 25627
4063 1 8 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.097 -0.020 25627
4064 1 8 . 1 1 71 71 LYS H H 71 8.047 8.047 8.633 -0.586 25627
4065 1 8 . 1 1 72 72 GLU N N 72 113.242 113.242 121.104 -7.862 25627
4066 1 8 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.320 0.058 25627
4067 1 8 . 1 1 72 72 GLU C C 72 175.018 175.018 175.713 -0.695 25627
4068 1 8 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.774 -0.967 25627
4069 1 8 . 1 1 72 72 GLU CB C 72 30.432 30.432 28.207 2.224 25627
4070 1 8 . 1 1 72 72 GLU H H 72 7.335 7.335 8.345 -1.010 25627
4071 1 8 . 1 1 73 73 ARG N N 73 118.120 118.120 120.217 -2.097 25627
4072 1 8 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.950 -0.596 25627
4073 1 8 . 1 1 73 73 ARG C C 73 175.859 175.859 176.213 -0.354 25627
4074 1 8 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.446 0.228 25627
4075 1 8 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.345 0.789 25627
4076 1 8 . 1 1 73 73 ARG H H 73 8.174 8.174 8.187 -0.013 25627
4077 1 8 . 1 1 74 74 GLU N N 74 127.360 127.360 122.522 4.838 25627
4078 1 8 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.255 0.238 25627
4079 1 8 . 1 1 74 74 GLU C C 74 176.415 176.415 175.095 1.320 25627
4080 1 8 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.477 1.584 25627
4081 1 8 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.852 3.610 25627
4082 1 8 . 1 1 74 74 GLU H H 74 10.788 10.788 8.426 2.362 25627
4083 1 8 . 1 1 75 75 CYS N N 75 123.441 123.441 119.604 3.837 25627
4084 1 8 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.255 -0.779 25627
4085 1 8 . 1 1 75 75 CYS C C 75 174.198 174.198 173.872 0.326 25627
4086 1 8 . 1 1 75 75 CYS CA C 75 59.022 59.022 57.814 1.208 25627
4087 1 8 . 1 1 75 75 CYS CB C 75 26.222 26.222 29.038 -2.816 25627
4088 1 8 . 1 1 75 75 CYS H H 75 9.198 9.198 7.365 1.833 25627
4089 1 8 . 1 1 76 76 GLU N N 76 131.177 131.177 123.855 7.322 25627
4090 1 8 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.434 -0.439 25627
4091 1 8 . 1 1 76 76 GLU C C 76 177.122 177.122 175.952 1.170 25627
4092 1 8 . 1 1 76 76 GLU CA C 76 56.816 56.816 55.048 1.768 25627
4093 1 8 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.853 -2.185 25627
4094 1 8 . 1 1 76 76 GLU H H 76 8.452 8.452 8.310 0.142 25627
4095 1 8 . 1 1 77 77 ASP N N 77 123.154 123.154 121.905 1.249 25627
4096 1 8 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.382 -0.046 25627
4097 1 8 . 1 1 77 77 ASP C C 77 179.545 179.545 177.848 1.697 25627
4098 1 8 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.459 1.151 25627
4099 1 8 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.584 -0.635 25627
4100 1 8 . 1 1 77 77 ASP H H 77 9.067 9.067 8.742 0.325 25627
4101 1 8 . 1 1 78 78 LYS N N 78 116.055 116.055 119.213 -3.158 25627
4102 1 8 . 1 1 78 78 LYS HA H 78 4.298 4.298 3.984 0.314 25627
4103 1 8 . 1 1 78 78 LYS C C 78 176.146 176.146 179.026 -2.880 25627
4104 1 8 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.296 -0.812 25627
4105 1 8 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.266 -0.426 25627
4106 1 8 . 1 1 78 78 LYS H H 78 8.664 8.664 8.084 0.580 25627
4107 1 8 . 1 1 79 79 GLU N N 79 117.481 117.481 119.455 -1.974 25627
4108 1 8 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.174 0.273 25627
4109 1 8 . 1 1 79 79 GLU C C 79 177.666 177.666 178.979 -1.313 25627
4110 1 8 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.943 -3.338 25627
4111 1 8 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.571 1.417 25627
4112 1 8 . 1 1 79 79 GLU H H 79 7.735 7.735 8.308 -0.573 25627
4113 1 8 . 1 1 80 80 VAL N N 80 121.192 121.192 120.051 1.141 25627
4114 1 8 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.635 -0.392 25627
4115 1 8 . 1 1 80 80 VAL C C 80 176.731 176.731 178.224 -1.493 25627
4116 1 8 . 1 1 80 80 VAL CA C 80 66.875 66.875 67.257 -0.382 25627
4117 1 8 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.877 0.296 25627
4118 1 8 . 1 1 80 80 VAL H H 80 7.274 7.274 7.697 -0.423 25627
4119 1 8 . 1 1 81 81 HIS N N 81 112.861 112.861 116.028 -3.167 25627
4120 1 8 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.401 0.247 25627
4121 1 8 . 1 1 81 81 HIS C C 81 175.330 175.330 176.729 -1.399 25627
4122 1 8 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.288 -1.541 25627
4123 1 8 . 1 1 81 81 HIS CB C 81 29.180 29.180 29.953 -0.773 25627
4124 1 8 . 1 1 81 81 HIS H H 81 8.157 8.157 7.931 0.226 25627
4125 1 8 . 1 1 82 82 LYS N N 82 117.850 117.850 117.989 -0.139 25627
4126 1 8 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.323 -0.312 25627
4127 1 8 . 1 1 82 82 LYS C C 82 177.430 177.430 176.708 0.722 25627
4128 1 8 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.424 -0.833 25627
4129 1 8 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.681 0.402 25627
4130 1 8 . 1 1 82 82 LYS H H 82 7.264 7.264 7.676 -0.412 25627
4131 1 8 . 1 1 83 83 VAL N N 83 123.619 123.619 121.081 2.538 25627
4132 1 8 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.111 -0.231 25627
4133 1 8 . 1 1 83 83 VAL C C 83 175.239 175.239 175.420 -0.181 25627
4134 1 8 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.684 1.128 25627
4135 1 8 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.580 -1.032 25627
4136 1 8 . 1 1 83 83 VAL H H 83 8.126 8.126 8.125 0.001 25627
4137 1 8 . 1 1 84 84 LYS N N 84 128.994 128.994 125.680 3.314 25627
4138 1 8 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.609 -0.156 25627
4139 1 8 . 1 1 84 84 LYS C C 84 174.399 174.399 175.536 -1.137 25627
4140 1 8 . 1 1 84 84 LYS CA C 84 55.817 55.817 55.034 0.783 25627
4141 1 8 . 1 1 84 84 LYS CB C 84 34.106 34.106 35.299 -1.193 25627
4142 1 8 . 1 1 84 84 LYS H H 84 9.031 9.031 8.055 0.976 25627
4143 1 8 . 1 1 85 85 VAL N N 85 120.723 120.723 121.194 -0.471 25627
4144 1 8 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.454 -0.424 25627
4145 1 8 . 1 1 85 85 VAL C C 85 175.482 175.482 174.231 1.251 25627
4146 1 8 . 1 1 85 85 VAL CA C 85 61.642 61.642 60.854 0.788 25627
4147 1 8 . 1 1 85 85 VAL CB C 85 32.488 32.488 34.678 -2.190 25627
4148 1 8 . 1 1 85 85 VAL H H 85 8.299 8.299 9.152 -0.853 25627
4149 1 8 . 1 1 86 86 TYR N N 86 126.214 126.214 129.959 -3.745 25627
4150 1 8 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.825 -0.099 25627
4151 1 8 . 1 1 86 86 TYR C C 86 175.214 175.214 174.645 0.569 25627
4152 1 8 . 1 1 86 86 TYR CA C 86 58.540 58.540 56.780 1.760 25627
4153 1 8 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.488 1.564 25627
4154 1 8 . 1 1 86 86 TYR H H 86 8.077 8.077 8.653 -0.576 25627
4155 1 8 . 1 1 87 87 VAL N N 87 123.680 123.680 120.653 3.027 25627
4156 1 8 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.028 0.168 25627
4157 1 8 . 1 1 87 87 VAL C C 87 174.322 174.322 174.604 -0.282 25627
4158 1 8 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.496 2.405 25627
4159 1 8 . 1 1 87 87 VAL CB C 87 33.779 33.779 34.212 -0.432 25627
4160 1 8 . 1 1 87 87 VAL H H 87 8.133 8.133 8.908 -0.775 25627
4161 1 9 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.495 -0.365 25627
4162 1 9 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 57.731 -2.882 25627
4163 1 9 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 30.103 1.570 25627
4164 1 9 . 1 1 0 0 MET N N 0 120.413 120.413 117.029 3.384 25627
4165 1 9 . 1 1 0 0 MET HA H 0 4.350 4.350 4.629 -0.279 25627
4166 1 9 . 1 1 0 0 MET C C 0 175.829 175.829 174.804 1.025 25627
4167 1 9 . 1 1 0 0 MET CA C 0 55.134 55.134 54.585 0.549 25627
4168 1 9 . 1 1 0 0 MET CB C 0 32.391 32.391 34.375 -1.984 25627
4169 1 9 . 1 1 0 0 MET H H 0 8.332 8.332 7.788 0.544 25627
4170 1 9 . 1 1 1 1 MET N N 1 121.120 121.120 120.499 0.621 25627
4171 1 9 . 1 1 1 1 MET HA H 1 4.443 4.443 4.658 -0.215 25627
4172 1 9 . 1 1 1 1 MET C C 1 175.772 175.772 175.459 0.313 25627
4173 1 9 . 1 1 1 1 MET CA C 1 55.446 55.446 54.797 0.649 25627
4174 1 9 . 1 1 1 1 MET CB C 1 32.774 32.774 33.836 -1.062 25627
4175 1 9 . 1 1 1 1 MET H H 1 8.287 8.287 8.212 0.075 25627
4176 1 9 . 1 1 2 2 ALA N N 2 125.673 125.673 127.641 -1.968 25627
4177 1 9 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.357 0.010 25627
4178 1 9 . 1 1 2 2 ALA C C 2 177.821 177.821 177.847 -0.026 25627
4179 1 9 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.579 -0.011 25627
4180 1 9 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.094 0.143 25627
4181 1 9 . 1 1 2 2 ALA H H 2 8.373 8.373 8.327 0.046 25627
4182 1 9 . 1 1 3 3 THR N N 3 113.038 113.038 113.548 -0.510 25627
4183 1 9 . 1 1 3 3 THR HA H 3 4.354 4.354 4.394 -0.040 25627
4184 1 9 . 1 1 3 3 THR C C 3 174.577 174.577 175.103 -0.526 25627
4185 1 9 . 1 1 3 3 THR CA C 3 61.679 61.679 63.078 -1.399 25627
4186 1 9 . 1 1 3 3 THR CB C 3 69.864 69.864 69.089 0.775 25627
4187 1 9 . 1 1 3 3 THR H H 3 8.099 8.099 8.659 -0.560 25627
4188 1 9 . 1 1 4 4 SER N N 4 117.235 117.235 114.789 2.446 25627
4189 1 9 . 1 1 4 4 SER HA H 4 4.440 4.440 4.661 -0.221 25627
4190 1 9 . 1 1 4 4 SER C C 4 173.887 173.887 172.399 1.488 25627
4191 1 9 . 1 1 4 4 SER CA C 4 58.314 58.314 57.557 0.757 25627
4192 1 9 . 1 1 4 4 SER CB C 4 63.951 63.951 64.431 -0.480 25627
4193 1 9 . 1 1 4 4 SER H H 4 8.238 8.238 7.597 0.641 25627
4194 1 9 . 1 1 5 5 ASP N N 5 122.543 122.543 124.042 -1.499 25627
4195 1 9 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.932 -0.349 25627
4196 1 9 . 1 1 5 5 ASP C C 5 175.690 175.690 175.529 0.161 25627
4197 1 9 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.582 0.564 25627
4198 1 9 . 1 1 5 5 ASP CB C 5 41.166 41.166 42.439 -1.273 25627
4199 1 9 . 1 1 5 5 ASP H H 5 8.321 8.321 8.400 -0.079 25627
4200 1 9 . 1 1 6 6 VAL N N 6 121.235 121.235 123.579 -2.344 25627
4201 1 9 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.129 -0.031 25627
4202 1 9 . 1 1 6 6 VAL C C 6 175.211 175.211 175.463 -0.252 25627
4203 1 9 . 1 1 6 6 VAL CA C 6 62.322 62.322 62.499 -0.177 25627
4204 1 9 . 1 1 6 6 VAL CB C 6 32.581 32.581 31.634 0.947 25627
4205 1 9 . 1 1 6 6 VAL H H 6 7.942 7.942 8.490 -0.548 25627
4206 1 9 . 1 1 7 7 LYS N N 7 125.356 125.356 129.281 -3.925 25627
4207 1 9 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.093 -0.782 25627
4208 1 9 . 1 1 7 7 LYS CB C 7 33.494 33.494 32.864 0.631 25627
4209 1 9 . 1 1 7 7 LYS H H 7 8.383 8.383 8.389 -0.006 25627
4210 1 9 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.644 -0.684 25627
4211 1 9 . 1 1 8 8 PRO C C 8 176.346 176.346 176.661 -0.315 25627
4212 1 9 . 1 1 8 8 PRO CA C 8 62.993 62.993 62.650 0.343 25627
4213 1 9 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.704 -0.701 25627
4214 1 9 . 1 1 9 9 LYS N N 9 122.609 122.609 121.990 0.619 25627
4215 1 9 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.241 0.046 25627
4216 1 9 . 1 1 9 9 LYS C C 9 177.164 177.164 176.392 0.772 25627
4217 1 9 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.121 0.101 25627
4218 1 9 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.605 0.357 25627
4219 1 9 . 1 1 9 9 LYS H H 9 9.393 9.393 8.540 0.853 25627
4220 1 9 . 1 1 10 10 SER N N 10 111.655 111.655 112.407 -0.752 25627
4221 1 9 . 1 1 10 10 SER HA H 10 4.563 4.563 4.727 -0.164 25627
4222 1 9 . 1 1 10 10 SER C C 10 171.697 171.697 172.116 -0.419 25627
4223 1 9 . 1 1 10 10 SER CA C 10 57.614 57.614 58.069 -0.455 25627
4224 1 9 . 1 1 10 10 SER CB C 10 64.687 64.687 66.482 -1.795 25627
4225 1 9 . 1 1 10 10 SER H H 10 7.846 7.846 7.917 -0.071 25627
4226 1 9 . 1 1 11 11 ILE N N 11 121.054 121.054 120.349 0.705 25627
4227 1 9 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.729 -0.198 25627
4228 1 9 . 1 1 11 11 ILE C C 11 175.460 175.460 175.558 -0.098 25627
4229 1 9 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.742 0.052 25627
4230 1 9 . 1 1 11 11 ILE CB C 11 41.105 41.105 40.776 0.329 25627
4231 1 9 . 1 1 11 11 ILE H H 11 8.128 8.128 8.444 -0.316 25627
4232 1 9 . 1 1 12 12 SER N N 12 122.340 122.340 122.044 0.296 25627
4233 1 9 . 1 1 12 12 SER HA H 12 4.757 4.757 4.928 -0.172 25627
4234 1 9 . 1 1 12 12 SER C C 12 172.771 172.771 172.901 -0.130 25627
4235 1 9 . 1 1 12 12 SER CA C 12 56.498 56.498 56.822 -0.324 25627
4236 1 9 . 1 1 12 12 SER CB C 12 65.418 65.418 66.508 -1.090 25627
4237 1 9 . 1 1 12 12 SER H H 12 8.782 8.782 9.264 -0.482 25627
4238 1 9 . 1 1 13 13 ARG N N 13 119.603 119.603 119.740 -0.137 25627
4239 1 9 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.670 0.206 25627
4240 1 9 . 1 1 13 13 ARG C C 13 176.720 176.720 175.424 1.296 25627
4241 1 9 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.939 -0.631 25627
4242 1 9 . 1 1 13 13 ARG CB C 13 31.754 31.754 32.125 -0.371 25627
4243 1 9 . 1 1 13 13 ARG H H 13 8.374 8.374 8.629 -0.255 25627
4244 1 9 . 1 1 14 14 ALA N N 14 127.004 127.004 127.953 -0.949 25627
4245 1 9 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.295 -0.185 25627
4246 1 9 . 1 1 14 14 ALA C C 14 176.523 176.523 176.880 -0.357 25627
4247 1 9 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.162 0.380 25627
4248 1 9 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.866 0.221 25627
4249 1 9 . 1 1 14 14 ALA H H 14 8.725 8.725 8.582 0.143 25627
4250 1 9 . 1 1 15 15 LYS N N 15 117.157 117.157 120.126 -2.969 25627
4251 1 9 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.390 -0.018 25627
4252 1 9 . 1 1 15 15 LYS C C 15 176.383 176.383 177.067 -0.684 25627
4253 1 9 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.241 -0.615 25627
4254 1 9 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.275 1.335 25627
4255 1 9 . 1 1 15 15 LYS H H 15 8.518 8.518 8.481 0.037 25627
4256 1 9 . 1 1 16 16 LYS N N 16 116.265 116.265 117.488 -1.223 25627
4257 1 9 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.433 0.142 25627
4258 1 9 . 1 1 16 16 LYS C C 16 174.584 174.584 174.964 -0.380 25627
4259 1 9 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.401 0.293 25627
4260 1 9 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.767 0.837 25627
4261 1 9 . 1 1 16 16 LYS H H 16 7.429 7.429 7.447 -0.018 25627
4262 1 9 . 1 1 17 17 TRP N N 17 123.638 123.638 121.546 2.092 25627
4263 1 9 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.694 -0.909 25627
4264 1 9 . 1 1 17 17 TRP C C 17 174.781 174.781 174.901 -0.120 25627
4265 1 9 . 1 1 17 17 TRP CA C 17 61.877 61.877 57.786 4.091 25627
4266 1 9 . 1 1 17 17 TRP CB C 17 28.921 28.921 30.028 -1.107 25627
4267 1 9 . 1 1 17 17 TRP H H 17 9.412 9.412 8.557 0.855 25627
4268 1 9 . 1 1 18 18 SER N N 18 119.926 119.926 120.323 -0.397 25627
4269 1 9 . 1 1 18 18 SER HA H 18 3.831 3.831 3.796 0.035 25627
4270 1 9 . 1 1 18 18 SER C C 18 172.100 172.100 173.671 -1.571 25627
4271 1 9 . 1 1 18 18 SER CA C 18 56.830 56.830 56.565 0.265 25627
4272 1 9 . 1 1 18 18 SER CB C 18 66.241 66.241 66.635 -0.394 25627
4273 1 9 . 1 1 18 18 SER H H 18 6.081 6.081 7.708 -1.627 25627
4274 1 9 . 1 1 19 19 GLU N N 19 120.673 120.673 123.524 -2.851 25627
4275 1 9 . 1 1 19 19 GLU HA H 19 3.647 3.647 4.072 -0.425 25627
4276 1 9 . 1 1 19 19 GLU C C 19 177.682 177.682 178.156 -0.474 25627
4277 1 9 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.994 0.585 25627
4278 1 9 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.735 -1.113 25627
4279 1 9 . 1 1 19 19 GLU H H 19 9.355 9.355 8.694 0.661 25627
4280 1 9 . 1 1 20 20 GLU N N 20 117.979 117.979 118.176 -0.197 25627
4281 1 9 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.117 0.107 25627
4282 1 9 . 1 1 20 20 GLU C C 20 179.454 179.454 178.796 0.658 25627
4283 1 9 . 1 1 20 20 GLU CA C 20 59.251 59.251 59.268 -0.017 25627
4284 1 9 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.080 0.635 25627
4285 1 9 . 1 1 20 20 GLU H H 20 7.946 7.946 8.641 -0.695 25627
4286 1 9 . 1 1 21 21 ILE N N 21 121.560 121.560 120.264 1.296 25627
4287 1 9 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.834 -0.057 25627
4288 1 9 . 1 1 21 21 ILE C C 21 176.700 176.700 177.801 -1.101 25627
4289 1 9 . 1 1 21 21 ILE CA C 21 61.978 61.978 63.087 -1.109 25627
4290 1 9 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.579 -0.485 25627
4291 1 9 . 1 1 21 21 ILE H H 21 7.122 7.122 7.866 -0.744 25627
4292 1 9 . 1 1 22 22 GLU N N 22 121.372 121.372 120.879 0.493 25627
4293 1 9 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.935 0.064 25627
4294 1 9 . 1 1 22 22 GLU C C 22 178.416 178.416 178.634 -0.218 25627
4295 1 9 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.301 -1.283 25627
4296 1 9 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.232 -1.080 25627
4297 1 9 . 1 1 22 22 GLU H H 22 8.017 8.017 8.239 -0.222 25627
4298 1 9 . 1 1 23 23 ASN N N 23 114.717 114.717 118.024 -3.307 25627
4299 1 9 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.627 0.110 25627
4300 1 9 . 1 1 23 23 ASN C C 23 177.565 177.565 177.983 -0.418 25627
4301 1 9 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.529 -0.165 25627
4302 1 9 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.461 0.345 25627
4303 1 9 . 1 1 23 23 ASN H H 23 7.352 7.352 7.871 -0.519 25627
4304 1 9 . 1 1 24 24 LEU N N 24 122.083 122.083 120.949 1.134 25627
4305 1 9 . 1 1 24 24 LEU HA H 24 4.403 4.403 4.054 0.349 25627
4306 1 9 . 1 1 24 24 LEU C C 24 178.487 178.487 179.110 -0.623 25627
4307 1 9 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.136 1.361 25627
4308 1 9 . 1 1 24 24 LEU CB C 24 42.235 42.235 40.861 1.374 25627
4309 1 9 . 1 1 24 24 LEU H H 24 8.232 8.232 7.651 0.581 25627
4310 1 9 . 1 1 25 25 TYR N N 25 118.898 118.898 119.850 -0.952 25627
4311 1 9 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.116 -0.041 25627
4312 1 9 . 1 1 25 25 TYR C C 25 177.164 177.164 177.779 -0.615 25627
4313 1 9 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.533 0.008 25627
4314 1 9 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.230 -0.696 25627
4315 1 9 . 1 1 25 25 TYR H H 25 9.056 9.056 8.657 0.399 25627
4316 1 9 . 1 1 26 26 ARG N N 26 119.000 119.000 118.645 0.355 25627
4317 1 9 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.478 -0.120 25627
4318 1 9 . 1 1 26 26 ARG C C 26 179.709 179.709 178.758 0.951 25627
4319 1 9 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.556 0.713 25627
4320 1 9 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.622 -1.028 25627
4321 1 9 . 1 1 26 26 ARG H H 26 7.672 7.672 7.889 -0.217 25627
4322 1 9 . 1 1 27 27 PHE N N 27 119.640 119.640 119.471 0.169 25627
4323 1 9 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.090 -0.220 25627
4324 1 9 . 1 1 27 27 PHE C C 27 178.542 178.542 177.967 0.575 25627
4325 1 9 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.432 2.000 25627
4326 1 9 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.683 -0.723 25627
4327 1 9 . 1 1 27 27 PHE H H 27 8.497 8.497 8.650 -0.153 25627
4328 1 9 . 1 1 28 28 GLN N N 28 120.400 120.400 118.985 1.415 25627
4329 1 9 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.083 0.642 25627
4330 1 9 . 1 1 28 28 GLN C C 28 182.258 182.258 178.470 3.788 25627
4331 1 9 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.678 0.284 25627
4332 1 9 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.587 -1.827 25627
4333 1 9 . 1 1 28 28 GLN H H 28 8.995 8.995 8.555 0.440 25627
4334 1 9 . 1 1 29 29 GLN N N 29 122.649 122.649 117.132 5.517 25627
4335 1 9 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.897 0.059 25627
4336 1 9 . 1 1 29 29 GLN C C 29 177.046 177.046 177.547 -0.501 25627
4337 1 9 . 1 1 29 29 GLN CA C 29 58.229 58.229 57.901 0.328 25627
4338 1 9 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.022 1.189 25627
4339 1 9 . 1 1 29 29 GLN H H 29 8.728 8.728 7.822 0.906 25627
4340 1 9 . 1 1 30 30 ALA N N 30 117.672 117.672 117.359 0.313 25627
4341 1 9 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.971 0.158 25627
4342 1 9 . 1 1 30 30 ALA C C 30 175.371 175.371 176.754 -1.383 25627
4343 1 9 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.598 -0.386 25627
4344 1 9 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.895 0.301 25627
4345 1 9 . 1 1 30 30 ALA H H 30 7.120 7.120 7.126 -0.006 25627
4346 1 9 . 1 1 31 31 GLY N N 31 103.200 103.200 102.440 0.760 25627
4347 1 9 . 1 1 31 31 GLY C C 31 173.625 173.625 173.436 0.189 25627
4348 1 9 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.654 0.654 25627
4349 1 9 . 1 1 31 31 GLY H H 31 7.474 7.474 7.452 0.022 25627
4350 1 9 . 1 1 32 32 TYR N N 32 121.303 121.303 120.207 1.096 25627
4351 1 9 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.951 -0.014 25627
4352 1 9 . 1 1 32 32 TYR C C 32 174.419 174.419 175.669 -1.250 25627
4353 1 9 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.372 0.840 25627
4354 1 9 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.474 1.940 25627
4355 1 9 . 1 1 32 32 TYR H H 32 8.403 8.403 7.943 0.460 25627
4356 1 9 . 1 1 33 33 ARG N N 33 118.245 118.245 119.906 -1.661 25627
4357 1 9 . 1 1 33 33 ARG HA H 33 3.951 3.951 4.043 -0.092 25627
4358 1 9 . 1 1 33 33 ARG C C 33 175.618 175.618 174.832 0.786 25627
4359 1 9 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.242 3.332 25627
4360 1 9 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.455 1.530 25627
4361 1 9 . 1 1 33 33 ARG H H 33 9.571 9.571 8.765 0.806 25627
4362 1 9 . 1 1 34 34 ASP N N 34 105.630 105.630 113.892 -8.262 25627
4363 1 9 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.272 -0.449 25627
4364 1 9 . 1 1 34 34 ASP C C 34 174.754 174.754 175.810 -1.056 25627
4365 1 9 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.376 -0.111 25627
4366 1 9 . 1 1 34 34 ASP CB C 34 39.819 39.819 41.503 -1.684 25627
4367 1 9 . 1 1 34 34 ASP H H 34 6.995 6.995 7.448 -0.453 25627
4368 1 9 . 1 1 35 35 GLU N N 35 118.215 118.215 117.898 0.317 25627
4369 1 9 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.481 -0.578 25627
4370 1 9 . 1 1 35 35 GLU C C 35 177.043 177.043 178.098 -1.055 25627
4371 1 9 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.145 -0.544 25627
4372 1 9 . 1 1 35 35 GLU CB C 35 30.113 30.113 28.969 1.144 25627
4373 1 9 . 1 1 35 35 GLU H H 35 7.818 7.818 8.325 -0.507 25627
4374 1 9 . 1 1 36 36 ILE N N 36 118.404 118.404 120.570 -2.166 25627
4375 1 9 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.711 -0.290 25627
4376 1 9 . 1 1 36 36 ILE C C 36 179.143 179.143 178.327 0.816 25627
4377 1 9 . 1 1 36 36 ILE CA C 36 64.460 64.460 63.577 0.883 25627
4378 1 9 . 1 1 36 36 ILE CB C 36 36.502 36.502 36.468 0.034 25627
4379 1 9 . 1 1 36 36 ILE H H 36 6.833 6.833 7.618 -0.785 25627
4380 1 9 . 1 1 37 37 GLU N N 37 120.573 120.573 120.006 0.567 25627
4381 1 9 . 1 1 37 37 GLU HA H 37 4.006 4.006 3.958 0.048 25627
4382 1 9 . 1 1 37 37 GLU C C 37 178.417 178.417 178.365 0.052 25627
4383 1 9 . 1 1 37 37 GLU CA C 37 59.424 59.424 59.028 0.396 25627
4384 1 9 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.236 0.662 25627
4385 1 9 . 1 1 37 37 GLU H H 37 8.463 8.463 8.099 0.364 25627
4386 1 9 . 1 1 38 38 TYR N N 38 117.942 117.942 120.758 -2.816 25627
4387 1 9 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.091 0.392 25627
4388 1 9 . 1 1 38 38 TYR C C 38 176.772 176.772 177.381 -0.609 25627
4389 1 9 . 1 1 38 38 TYR CA C 38 62.767 62.767 60.630 2.137 25627
4390 1 9 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.255 1.724 25627
4391 1 9 . 1 1 38 38 TYR H H 38 7.949 7.949 7.585 0.364 25627
4392 1 9 . 1 1 39 39 LYS N N 39 115.539 115.539 117.795 -2.256 25627
4393 1 9 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.449 0.199 25627
4394 1 9 . 1 1 39 39 LYS C C 39 179.543 179.543 178.831 0.712 25627
4395 1 9 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.748 0.899 25627
4396 1 9 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.881 0.342 25627
4397 1 9 . 1 1 39 39 LYS H H 39 8.287 8.287 8.352 -0.065 25627
4398 1 9 . 1 1 40 40 GLN N N 40 118.265 118.265 118.834 -0.569 25627
4399 1 9 . 1 1 40 40 GLN HA H 40 4.011 4.011 3.971 0.040 25627
4400 1 9 . 1 1 40 40 GLN C C 40 178.263 178.263 177.960 0.303 25627
4401 1 9 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.637 0.116 25627
4402 1 9 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.563 0.013 25627
4403 1 9 . 1 1 40 40 GLN H H 40 7.605 7.605 7.438 0.167 25627
4404 1 9 . 1 1 41 41 VAL N N 41 118.627 118.627 118.872 -0.245 25627
4405 1 9 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.726 0.036 25627
4406 1 9 . 1 1 41 41 VAL C C 41 178.092 178.092 177.616 0.476 25627
4407 1 9 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.559 0.150 25627
4408 1 9 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.780 0.862 25627
4409 1 9 . 1 1 41 41 VAL H H 41 8.470 8.470 7.486 0.984 25627
4410 1 9 . 1 1 42 42 LYS N N 42 115.117 115.117 116.177 -1.060 25627
4411 1 9 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.385 -0.135 25627
4412 1 9 . 1 1 42 42 LYS C C 42 176.102 176.102 175.625 0.477 25627
4413 1 9 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.481 -0.580 25627
4414 1 9 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.225 -1.060 25627
4415 1 9 . 1 1 42 42 LYS H H 42 8.263 8.263 7.392 0.871 25627
4416 1 9 . 1 1 43 43 GLN N N 43 116.108 116.108 117.020 -0.912 25627
4417 1 9 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.920 0.048 25627
4418 1 9 . 1 1 43 43 GLN C C 43 175.125 175.125 175.446 -0.321 25627
4419 1 9 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.617 -0.062 25627
4420 1 9 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.752 0.160 25627
4421 1 9 . 1 1 43 43 GLN H H 43 7.717 7.717 7.775 -0.058 25627
4422 1 9 . 1 1 44 44 VAL N N 44 110.285 110.285 113.370 -3.085 25627
4423 1 9 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.370 0.188 25627
4424 1 9 . 1 1 44 44 VAL C C 44 175.431 175.431 174.670 0.761 25627
4425 1 9 . 1 1 44 44 VAL CA C 44 59.240 59.240 60.172 -0.932 25627
4426 1 9 . 1 1 44 44 VAL CB C 44 34.732 34.732 33.047 1.685 25627
4427 1 9 . 1 1 44 44 VAL H H 44 6.817 6.817 7.561 -0.744 25627
4428 1 9 . 1 1 45 45 ALA N N 45 123.422 123.422 121.163 2.259 25627
4429 1 9 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.601 -0.246 25627
4430 1 9 . 1 1 45 45 ALA C C 45 177.543 177.543 176.818 0.725 25627
4431 1 9 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.762 0.059 25627
4432 1 9 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.765 0.047 25627
4433 1 9 . 1 1 45 45 ALA H H 45 8.571 8.571 8.156 0.415 25627
4434 1 9 . 1 1 46 46 MET N N 46 114.808 114.808 116.697 -1.889 25627
4435 1 9 . 1 1 46 46 MET HA H 46 4.724 4.724 4.726 -0.002 25627
4436 1 9 . 1 1 46 46 MET C C 46 173.698 173.698 174.341 -0.643 25627
4437 1 9 . 1 1 46 46 MET CA C 46 54.230 54.230 54.995 -0.764 25627
4438 1 9 . 1 1 46 46 MET CB C 46 34.793 34.793 34.746 0.047 25627
4439 1 9 . 1 1 46 46 MET H H 46 7.657 7.657 7.474 0.183 25627
4440 1 9 . 1 1 47 47 VAL N N 47 120.757 120.757 121.521 -0.764 25627
4441 1 9 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.481 -0.202 25627
4442 1 9 . 1 1 47 47 VAL C C 47 174.985 174.985 175.758 -0.773 25627
4443 1 9 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.361 -0.325 25627
4444 1 9 . 1 1 47 47 VAL CB C 47 33.826 33.826 34.311 -0.485 25627
4445 1 9 . 1 1 47 47 VAL H H 47 8.459 8.459 8.264 0.195 25627
4446 1 9 . 1 1 48 48 ASP N N 48 126.251 126.251 124.800 1.451 25627
4447 1 9 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.707 -0.234 25627
4448 1 9 . 1 1 48 48 ASP C C 48 175.819 175.819 175.648 0.171 25627
4449 1 9 . 1 1 48 48 ASP CA C 48 55.472 55.472 55.180 0.292 25627
4450 1 9 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.707 0.427 25627
4451 1 9 . 1 1 48 48 ASP H H 48 8.929 8.929 8.633 0.296 25627
4452 1 9 . 1 1 49 49 ARG N N 49 122.995 122.995 120.096 2.899 25627
4453 1 9 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.379 -0.620 25627
4454 1 9 . 1 1 49 49 ARG C C 49 176.363 176.363 175.446 0.917 25627
4455 1 9 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.779 -0.165 25627
4456 1 9 . 1 1 49 49 ARG CB C 49 34.470 34.470 35.063 -0.593 25627
4457 1 9 . 1 1 49 49 ARG H H 49 8.534 8.534 8.333 0.201 25627
4458 1 9 . 1 1 50 50 TRP N N 50 125.191 125.191 123.310 1.881 25627
4459 1 9 . 1 1 50 50 TRP HA H 50 4.664 4.664 4.963 -0.299 25627
4460 1 9 . 1 1 50 50 TRP CA C 50 55.595 55.595 56.547 -0.952 25627
4461 1 9 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.052 0.061 25627
4462 1 9 . 1 1 50 50 TRP H H 50 9.111 9.111 8.868 0.243 25627
4463 1 9 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.329 0.016 25627
4464 1 9 . 1 1 51 51 PRO C C 51 178.698 178.698 177.535 1.163 25627
4465 1 9 . 1 1 51 51 PRO CA C 51 64.574 64.574 63.221 1.353 25627
4466 1 9 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.523 -0.360 25627
4467 1 9 . 1 1 52 52 GLU N N 52 116.570 116.570 118.403 -1.833 25627
4468 1 9 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.107 -0.137 25627
4469 1 9 . 1 1 52 52 GLU C C 52 178.031 178.031 176.397 1.634 25627
4470 1 9 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.918 1.840 25627
4471 1 9 . 1 1 52 52 GLU CB C 52 29.614 29.614 28.787 0.827 25627
4472 1 9 . 1 1 52 52 GLU H H 52 9.951 9.951 9.089 0.862 25627
4473 1 9 . 1 1 53 53 THR N N 53 103.788 103.788 110.255 -6.467 25627
4474 1 9 . 1 1 53 53 THR HA H 53 4.135 4.135 4.334 -0.199 25627
4475 1 9 . 1 1 53 53 THR C C 53 175.731 175.731 175.584 0.147 25627
4476 1 9 . 1 1 53 53 THR CA C 53 60.427 60.427 62.074 -1.647 25627
4477 1 9 . 1 1 53 53 THR CB C 53 70.762 70.762 71.418 -0.656 25627
4478 1 9 . 1 1 53 53 THR H H 53 7.120 7.120 8.128 -1.008 25627
4479 1 9 . 1 1 54 54 GLY N N 54 109.195 109.195 111.472 -2.277 25627
4480 1 9 . 1 1 54 54 GLY C C 54 174.593 174.593 173.741 0.852 25627
4481 1 9 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.503 0.245 25627
4482 1 9 . 1 1 54 54 GLY H H 54 8.227 8.227 8.374 -0.147 25627
4483 1 9 . 1 1 55 55 TYR N N 55 119.038 119.038 118.710 0.328 25627
4484 1 9 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.466 1.239 25627
4485 1 9 . 1 1 55 55 TYR C C 55 177.556 177.556 176.785 0.771 25627
4486 1 9 . 1 1 55 55 TYR CA C 55 53.730 53.730 58.068 -4.338 25627
4487 1 9 . 1 1 55 55 TYR CB C 55 38.741 38.741 38.959 -0.218 25627
4488 1 9 . 1 1 55 55 TYR H H 55 7.353 7.353 7.378 -0.025 25627
4489 1 9 . 1 1 56 56 VAL N N 56 120.089 120.089 120.277 -0.188 25627
4490 1 9 . 1 1 56 56 VAL HA H 56 3.613 3.613 3.836 -0.223 25627
4491 1 9 . 1 1 56 56 VAL C C 56 174.564 174.564 176.713 -2.149 25627
4492 1 9 . 1 1 56 56 VAL CA C 56 64.767 64.767 65.178 -0.411 25627
4493 1 9 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.519 1.248 25627
4494 1 9 . 1 1 56 56 VAL H H 56 8.252 8.252 8.958 -0.706 25627
4495 1 9 . 1 1 57 57 LYS N N 57 127.233 127.233 127.687 -0.454 25627
4496 1 9 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.605 -0.157 25627
4497 1 9 . 1 1 57 57 LYS C C 57 175.256 175.256 176.244 -0.988 25627
4498 1 9 . 1 1 57 57 LYS CA C 57 57.983 57.983 58.998 -1.015 25627
4499 1 9 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.684 1.566 25627
4500 1 9 . 1 1 57 57 LYS H H 57 9.005 9.005 8.836 0.169 25627
4501 1 9 . 1 1 58 58 LYS N N 58 115.918 115.918 114.167 1.751 25627
4502 1 9 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.090 0.280 25627
4503 1 9 . 1 1 58 58 LYS C C 58 174.030 174.030 174.802 -0.772 25627
4504 1 9 . 1 1 58 58 LYS CA C 58 54.854 54.854 54.923 -0.069 25627
4505 1 9 . 1 1 58 58 LYS CB C 58 35.823 35.823 35.921 -0.098 25627
4506 1 9 . 1 1 58 58 LYS H H 58 6.921 6.921 7.683 -0.762 25627
4507 1 9 . 1 1 59 59 LEU N N 59 121.666 121.666 122.008 -0.342 25627
4508 1 9 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.217 0.432 25627
4509 1 9 . 1 1 59 59 LEU C C 59 174.451 174.451 174.954 -0.503 25627
4510 1 9 . 1 1 59 59 LEU CA C 59 53.472 53.472 53.745 -0.273 25627
4511 1 9 . 1 1 59 59 LEU CB C 59 46.939 46.939 45.744 1.195 25627
4512 1 9 . 1 1 59 59 LEU H H 59 8.793 8.793 8.897 -0.104 25627
4513 1 9 . 1 1 60 60 GLN N N 60 121.710 121.710 124.317 -2.607 25627
4514 1 9 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.349 0.087 25627
4515 1 9 . 1 1 60 60 GLN C C 60 176.636 176.636 175.651 0.985 25627
4516 1 9 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.815 -0.898 25627
4517 1 9 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.350 0.986 25627
4518 1 9 . 1 1 60 60 GLN H H 60 8.879 8.879 8.465 0.414 25627
4519 1 9 . 1 1 61 61 ARG N N 61 126.172 126.172 124.946 1.226 25627
4520 1 9 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.434 0.109 25627
4521 1 9 . 1 1 61 61 ARG C C 61 178.315 178.315 178.112 0.203 25627
4522 1 9 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.835 1.738 25627
4523 1 9 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.836 1.065 25627
4524 1 9 . 1 1 61 61 ARG H H 61 9.387 9.387 8.931 0.456 25627
4525 1 9 . 1 1 62 62 ARG N N 62 123.754 123.754 119.818 3.936 25627
4526 1 9 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.082 -0.214 25627
4527 1 9 . 1 1 62 62 ARG C C 62 176.508 176.508 176.463 0.045 25627
4528 1 9 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.277 1.586 25627
4529 1 9 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.898 -0.434 25627
4530 1 9 . 1 1 62 62 ARG H H 62 9.385 9.385 8.220 1.165 25627
4531 1 9 . 1 1 63 63 ASP N N 63 116.155 116.155 117.657 -1.502 25627
4532 1 9 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.710 -0.279 25627
4533 1 9 . 1 1 63 63 ASP C C 63 176.163 176.163 175.390 0.773 25627
4534 1 9 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.715 -0.529 25627
4535 1 9 . 1 1 63 63 ASP CB C 63 39.756 39.756 39.933 -0.177 25627
4536 1 9 . 1 1 63 63 ASP H H 63 7.505 7.505 8.093 -0.588 25627
4537 1 9 . 1 1 64 64 ASN N N 64 110.183 110.183 114.295 -4.112 25627
4538 1 9 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.401 -0.314 25627
4539 1 9 . 1 1 64 64 ASN C C 64 175.432 175.432 173.821 1.611 25627
4540 1 9 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.635 0.795 25627
4541 1 9 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.514 -0.480 25627
4542 1 9 . 1 1 64 64 ASN H H 64 7.791 7.791 8.230 -0.439 25627
4543 1 9 . 1 1 65 65 THR N N 65 112.736 112.736 110.106 2.630 25627
4544 1 9 . 1 1 65 65 THR HA H 65 4.414 4.414 4.731 -0.317 25627
4545 1 9 . 1 1 65 65 THR C C 65 173.653 173.653 174.034 -0.381 25627
4546 1 9 . 1 1 65 65 THR CA C 65 62.342 62.342 60.628 1.714 25627
4547 1 9 . 1 1 65 65 THR CB C 65 70.946 70.946 71.019 -0.073 25627
4548 1 9 . 1 1 65 65 THR H H 65 7.921 7.921 7.314 0.607 25627
4549 1 9 . 1 1 66 66 PHE N N 66 118.850 118.850 125.571 -6.721 25627
4550 1 9 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.590 0.554 25627
4551 1 9 . 1 1 66 66 PHE C C 66 174.762 174.762 175.039 -0.277 25627
4552 1 9 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.477 0.002 25627
4553 1 9 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.313 2.950 25627
4554 1 9 . 1 1 66 66 PHE H H 66 8.926 8.926 9.157 -0.231 25627
4555 1 9 . 1 1 67 67 PHE N N 67 124.259 124.259 127.234 -2.975 25627
4556 1 9 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.779 -0.115 25627
4557 1 9 . 1 1 67 67 PHE C C 67 173.553 173.553 173.371 0.182 25627
4558 1 9 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.260 -0.356 25627
4559 1 9 . 1 1 67 67 PHE CB C 67 42.337 42.337 41.940 0.398 25627
4560 1 9 . 1 1 67 67 PHE H H 67 9.142 9.142 8.496 0.646 25627
4561 1 9 . 1 1 68 68 TYR N N 68 122.881 122.881 126.447 -3.566 25627
4562 1 9 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.559 0.312 25627
4563 1 9 . 1 1 68 68 TYR C C 68 174.835 174.835 175.269 -0.434 25627
4564 1 9 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.550 -1.157 25627
4565 1 9 . 1 1 68 68 TYR CB C 68 40.189 40.189 39.193 0.996 25627
4566 1 9 . 1 1 68 68 TYR H H 68 8.064 8.064 8.285 -0.221 25627
4567 1 9 . 1 1 69 69 TYR N N 69 118.675 118.675 122.770 -4.095 25627
4568 1 9 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.768 0.257 25627
4569 1 9 . 1 1 69 69 TYR C C 69 177.181 177.181 174.593 2.588 25627
4570 1 9 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.073 -0.161 25627
4571 1 9 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.947 1.476 25627
4572 1 9 . 1 1 69 69 TYR H H 69 8.384 8.384 8.963 -0.579 25627
4573 1 9 . 1 1 70 70 ASN N N 70 122.917 122.917 118.506 4.411 25627
4574 1 9 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.532 0.263 25627
4575 1 9 . 1 1 70 70 ASN C C 70 175.433 175.433 175.633 -0.200 25627
4576 1 9 . 1 1 70 70 ASN CA C 70 53.359 53.359 51.776 1.583 25627
4577 1 9 . 1 1 70 70 ASN CB C 70 39.377 39.377 40.443 -1.066 25627
4578 1 9 . 1 1 70 70 ASN H H 70 9.832 9.832 8.664 1.168 25627
4579 1 9 . 1 1 71 71 LYS N N 71 123.116 123.116 121.583 1.533 25627
4580 1 9 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.298 -2.059 25627
4581 1 9 . 1 1 71 71 LYS C C 71 175.495 175.495 177.652 -2.157 25627
4582 1 9 . 1 1 71 71 LYS CA C 71 58.421 58.421 57.997 0.424 25627
4583 1 9 . 1 1 71 71 LYS CB C 71 32.077 32.077 31.927 0.150 25627
4584 1 9 . 1 1 71 71 LYS H H 71 8.047 8.047 8.135 -0.088 25627
4585 1 9 . 1 1 72 72 GLU N N 72 113.242 113.242 121.858 -8.616 25627
4586 1 9 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.270 0.108 25627
4587 1 9 . 1 1 72 72 GLU C C 72 175.018 175.018 175.476 -0.458 25627
4588 1 9 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.492 -0.686 25627
4589 1 9 . 1 1 72 72 GLU CB C 72 30.432 30.432 27.806 2.626 25627
4590 1 9 . 1 1 72 72 GLU H H 72 7.335 7.335 8.265 -0.930 25627
4591 1 9 . 1 1 73 73 ARG N N 73 118.120 118.120 120.437 -2.317 25627
4592 1 9 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.705 -0.351 25627
4593 1 9 . 1 1 73 73 ARG C C 73 175.859 175.859 176.248 -0.389 25627
4594 1 9 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.579 0.095 25627
4595 1 9 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.345 0.789 25627
4596 1 9 . 1 1 73 73 ARG H H 73 8.174 8.174 8.341 -0.167 25627
4597 1 9 . 1 1 74 74 GLU N N 74 127.360 127.360 120.557 6.803 25627
4598 1 9 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.213 0.280 25627
4599 1 9 . 1 1 74 74 GLU C C 74 176.415 176.415 174.519 1.896 25627
4600 1 9 . 1 1 74 74 GLU CA C 74 57.061 57.061 56.060 1.001 25627
4601 1 9 . 1 1 74 74 GLU CB C 74 33.462 33.462 30.568 2.894 25627
4602 1 9 . 1 1 74 74 GLU H H 74 10.788 10.788 8.542 2.246 25627
4603 1 9 . 1 1 75 75 CYS N N 75 123.441 123.441 119.682 3.759 25627
4604 1 9 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.664 -1.188 25627
4605 1 9 . 1 1 75 75 CYS C C 75 174.198 174.198 174.239 -0.041 25627
4606 1 9 . 1 1 75 75 CYS CA C 75 59.022 59.022 57.170 1.852 25627
4607 1 9 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.511 -2.289 25627
4608 1 9 . 1 1 75 75 CYS H H 75 9.198 9.198 7.832 1.366 25627
4609 1 9 . 1 1 76 76 GLU N N 76 131.177 131.177 126.921 4.256 25627
4610 1 9 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.225 -0.230 25627
4611 1 9 . 1 1 76 76 GLU C C 76 177.122 177.122 175.662 1.460 25627
4612 1 9 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.723 2.093 25627
4613 1 9 . 1 1 76 76 GLU CB C 76 30.668 30.668 31.920 -1.252 25627
4614 1 9 . 1 1 76 76 GLU H H 76 8.452 8.452 8.164 0.288 25627
4615 1 9 . 1 1 77 77 ASP N N 77 123.154 123.154 121.650 1.504 25627
4616 1 9 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.248 0.088 25627
4617 1 9 . 1 1 77 77 ASP C C 77 179.545 179.545 177.412 2.133 25627
4618 1 9 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.121 1.489 25627
4619 1 9 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.711 -0.762 25627
4620 1 9 . 1 1 77 77 ASP H H 77 9.067 9.067 8.800 0.267 25627
4621 1 9 . 1 1 78 78 LYS N N 78 116.055 116.055 117.576 -1.521 25627
4622 1 9 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.084 0.214 25627
4623 1 9 . 1 1 78 78 LYS C C 78 176.146 176.146 178.977 -2.831 25627
4624 1 9 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.309 -0.825 25627
4625 1 9 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.343 -0.503 25627
4626 1 9 . 1 1 78 78 LYS H H 78 8.664 8.664 8.412 0.253 25627
4627 1 9 . 1 1 79 79 GLU N N 79 117.481 117.481 119.618 -2.137 25627
4628 1 9 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.115 0.332 25627
4629 1 9 . 1 1 79 79 GLU C C 79 177.666 177.666 178.743 -1.077 25627
4630 1 9 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.870 -3.265 25627
4631 1 9 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.639 1.349 25627
4632 1 9 . 1 1 79 79 GLU H H 79 7.735 7.735 8.246 -0.511 25627
4633 1 9 . 1 1 80 80 VAL N N 80 121.192 121.192 120.031 1.161 25627
4634 1 9 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.618 -0.375 25627
4635 1 9 . 1 1 80 80 VAL C C 80 176.731 176.731 177.738 -1.007 25627
4636 1 9 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.037 0.838 25627
4637 1 9 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.219 0.954 25627
4638 1 9 . 1 1 80 80 VAL H H 80 7.274 7.274 7.466 -0.192 25627
4639 1 9 . 1 1 81 81 HIS N N 81 112.861 112.861 115.994 -3.133 25627
4640 1 9 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.355 0.293 25627
4641 1 9 . 1 1 81 81 HIS C C 81 175.330 175.330 177.347 -2.017 25627
4642 1 9 . 1 1 81 81 HIS CA C 81 57.747 57.747 58.596 -0.849 25627
4643 1 9 . 1 1 81 81 HIS CB C 81 29.180 29.180 29.872 -0.692 25627
4644 1 9 . 1 1 81 81 HIS H H 81 8.157 8.157 7.251 0.906 25627
4645 1 9 . 1 1 82 82 LYS N N 82 117.850 117.850 117.694 0.156 25627
4646 1 9 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.188 -0.177 25627
4647 1 9 . 1 1 82 82 LYS C C 82 177.430 177.430 177.316 0.114 25627
4648 1 9 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.589 -0.998 25627
4649 1 9 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.993 0.090 25627
4650 1 9 . 1 1 82 82 LYS H H 82 7.264 7.264 7.545 -0.281 25627
4651 1 9 . 1 1 83 83 VAL N N 83 123.619 123.619 119.797 3.822 25627
4652 1 9 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.067 -0.187 25627
4653 1 9 . 1 1 83 83 VAL C C 83 175.239 175.239 175.113 0.126 25627
4654 1 9 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.069 1.743 25627
4655 1 9 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.620 -1.072 25627
4656 1 9 . 1 1 83 83 VAL H H 83 8.126 8.126 8.153 -0.027 25627
4657 1 9 . 1 1 84 84 LYS N N 84 128.994 128.994 125.293 3.701 25627
4658 1 9 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.889 -0.436 25627
4659 1 9 . 1 1 84 84 LYS C C 84 174.399 174.399 175.628 -1.229 25627
4660 1 9 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.759 1.058 25627
4661 1 9 . 1 1 84 84 LYS CB C 84 34.106 34.106 35.652 -1.546 25627
4662 1 9 . 1 1 84 84 LYS H H 84 9.031 9.031 8.076 0.955 25627
4663 1 9 . 1 1 85 85 VAL N N 85 120.723 120.723 121.320 -0.597 25627
4664 1 9 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.574 -0.544 25627
4665 1 9 . 1 1 85 85 VAL C C 85 175.482 175.482 174.572 0.910 25627
4666 1 9 . 1 1 85 85 VAL CA C 85 61.642 61.642 60.648 0.994 25627
4667 1 9 . 1 1 85 85 VAL CB C 85 32.488 32.488 35.397 -2.909 25627
4668 1 9 . 1 1 85 85 VAL H H 85 8.299 8.299 9.180 -0.881 25627
4669 1 9 . 1 1 86 86 TYR N N 86 126.214 126.214 127.633 -1.419 25627
4670 1 9 . 1 1 86 86 TYR HA H 86 4.726 4.726 5.027 -0.301 25627
4671 1 9 . 1 1 86 86 TYR C C 86 175.214 175.214 174.891 0.323 25627
4672 1 9 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.734 2.806 25627
4673 1 9 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.023 2.029 25627
4674 1 9 . 1 1 86 86 TYR H H 86 8.077 8.077 8.852 -0.775 25627
4675 1 9 . 1 1 87 87 VAL N N 87 123.680 123.680 119.339 4.341 25627
4676 1 9 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.319 -0.122 25627
4677 1 9 . 1 1 87 87 VAL C C 87 174.322 174.322 174.154 0.168 25627
4678 1 9 . 1 1 87 87 VAL CA C 87 61.901 61.901 60.103 1.798 25627
4679 1 9 . 1 1 87 87 VAL CB C 87 33.779 33.779 34.401 -0.622 25627
4680 1 9 . 1 1 87 87 VAL H H 87 8.133 8.133 8.873 -0.740 25627
4681 1 10 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.761 -0.631 25627
4682 1 10 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 55.711 -0.862 25627
4683 1 10 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 30.573 1.100 25627
4684 1 10 . 1 1 0 0 MET N N 0 120.413 120.413 120.250 0.163 25627
4685 1 10 . 1 1 0 0 MET HA H 0 4.350 4.350 4.643 -0.293 25627
4686 1 10 . 1 1 0 0 MET C C 0 175.829 175.829 176.075 -0.246 25627
4687 1 10 . 1 1 0 0 MET CA C 0 55.134 55.134 54.786 0.348 25627
4688 1 10 . 1 1 0 0 MET CB C 0 32.391 32.391 33.616 -1.225 25627
4689 1 10 . 1 1 0 0 MET H H 0 8.332 8.332 8.324 0.008 25627
4690 1 10 . 1 1 1 1 MET N N 1 121.120 121.120 123.078 -1.958 25627
4691 1 10 . 1 1 1 1 MET HA H 1 4.443 4.443 4.563 -0.120 25627
4692 1 10 . 1 1 1 1 MET C C 1 175.772 175.772 175.682 0.090 25627
4693 1 10 . 1 1 1 1 MET CA C 1 55.446 55.446 54.934 0.512 25627
4694 1 10 . 1 1 1 1 MET CB C 1 32.774 32.774 33.166 -0.393 25627
4695 1 10 . 1 1 1 1 MET H H 1 8.287 8.287 8.377 -0.090 25627
4696 1 10 . 1 1 2 2 ALA N N 2 125.673 125.673 128.426 -2.753 25627
4697 1 10 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.368 -0.001 25627
4698 1 10 . 1 1 2 2 ALA C C 2 177.821 177.821 176.966 0.855 25627
4699 1 10 . 1 1 2 2 ALA CA C 2 52.568 52.568 51.922 0.646 25627
4700 1 10 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.280 -0.043 25627
4701 1 10 . 1 1 2 2 ALA H H 2 8.373 8.373 8.372 0.001 25627
4702 1 10 . 1 1 3 3 THR N N 3 113.038 113.038 113.901 -0.863 25627
4703 1 10 . 1 1 3 3 THR HA H 3 4.354 4.354 4.084 0.270 25627
4704 1 10 . 1 1 3 3 THR C C 3 174.577 174.577 173.377 1.200 25627
4705 1 10 . 1 1 3 3 THR CA C 3 61.679 61.679 62.546 -0.867 25627
4706 1 10 . 1 1 3 3 THR CB C 3 69.864 69.864 68.919 0.945 25627
4707 1 10 . 1 1 3 3 THR H H 3 8.099 8.099 8.050 0.049 25627
4708 1 10 . 1 1 4 4 SER N N 4 117.235 117.235 116.717 0.518 25627
4709 1 10 . 1 1 4 4 SER HA H 4 4.440 4.440 4.664 -0.224 25627
4710 1 10 . 1 1 4 4 SER C C 4 173.887 173.887 174.097 -0.210 25627
4711 1 10 . 1 1 4 4 SER CA C 4 58.314 58.314 57.701 0.613 25627
4712 1 10 . 1 1 4 4 SER CB C 4 63.951 63.951 63.907 0.044 25627
4713 1 10 . 1 1 4 4 SER H H 4 8.238 8.238 8.375 -0.137 25627
4714 1 10 . 1 1 5 5 ASP N N 5 122.543 122.543 122.390 0.153 25627
4715 1 10 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.618 -0.035 25627
4716 1 10 . 1 1 5 5 ASP C C 5 175.690 175.690 175.253 0.437 25627
4717 1 10 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.565 0.581 25627
4718 1 10 . 1 1 5 5 ASP CB C 5 41.166 41.166 41.433 -0.267 25627
4719 1 10 . 1 1 5 5 ASP H H 5 8.321 8.321 8.213 0.108 25627
4720 1 10 . 1 1 6 6 VAL N N 6 121.235 121.235 121.296 -0.061 25627
4721 1 10 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.271 -0.173 25627
4722 1 10 . 1 1 6 6 VAL C C 6 175.211 175.211 175.834 -0.623 25627
4723 1 10 . 1 1 6 6 VAL CA C 6 62.322 62.322 62.032 0.290 25627
4724 1 10 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.554 0.027 25627
4725 1 10 . 1 1 6 6 VAL H H 6 7.942 7.942 8.456 -0.514 25627
4726 1 10 . 1 1 7 7 LYS N N 7 125.356 125.356 128.338 -2.982 25627
4727 1 10 . 1 1 7 7 LYS CA C 7 53.311 53.311 53.606 -0.295 25627
4728 1 10 . 1 1 7 7 LYS CB C 7 33.494 33.494 32.247 1.247 25627
4729 1 10 . 1 1 7 7 LYS H H 7 8.383 8.383 8.812 -0.429 25627
4730 1 10 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.733 -0.774 25627
4731 1 10 . 1 1 8 8 PRO C C 8 176.346 176.346 176.366 -0.020 25627
4732 1 10 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.068 -0.075 25627
4733 1 10 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.477 -0.474 25627
4734 1 10 . 1 1 9 9 LYS N N 9 122.609 122.609 120.426 2.183 25627
4735 1 10 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.478 -0.191 25627
4736 1 10 . 1 1 9 9 LYS C C 9 177.164 177.164 176.872 0.292 25627
4737 1 10 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.170 0.052 25627
4738 1 10 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.395 0.567 25627
4739 1 10 . 1 1 9 9 LYS H H 9 9.393 9.393 8.538 0.855 25627
4740 1 10 . 1 1 10 10 SER N N 10 111.655 111.655 113.352 -1.697 25627
4741 1 10 . 1 1 10 10 SER HA H 10 4.563 4.563 4.749 -0.186 25627
4742 1 10 . 1 1 10 10 SER C C 10 171.697 171.697 172.334 -0.637 25627
4743 1 10 . 1 1 10 10 SER CA C 10 57.614 57.614 57.913 -0.299 25627
4744 1 10 . 1 1 10 10 SER CB C 10 64.687 64.687 66.346 -1.659 25627
4745 1 10 . 1 1 10 10 SER H H 10 7.846 7.846 7.828 0.018 25627
4746 1 10 . 1 1 11 11 ILE N N 11 121.054 121.054 120.955 0.099 25627
4747 1 10 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.831 -0.300 25627
4748 1 10 . 1 1 11 11 ILE C C 11 175.460 175.460 175.126 0.334 25627
4749 1 10 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.454 0.340 25627
4750 1 10 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.281 -0.176 25627
4751 1 10 . 1 1 11 11 ILE H H 11 8.128 8.128 8.378 -0.250 25627
4752 1 10 . 1 1 12 12 SER N N 12 122.340 122.340 119.775 2.565 25627
4753 1 10 . 1 1 12 12 SER HA H 12 4.757 4.757 4.752 0.005 25627
4754 1 10 . 1 1 12 12 SER C C 12 172.771 172.771 172.695 0.076 25627
4755 1 10 . 1 1 12 12 SER CA C 12 56.498 56.498 56.412 0.086 25627
4756 1 10 . 1 1 12 12 SER CB C 12 65.418 65.418 65.624 -0.206 25627
4757 1 10 . 1 1 12 12 SER H H 12 8.782 8.782 9.167 -0.385 25627
4758 1 10 . 1 1 13 13 ARG N N 13 119.603 119.603 119.890 -0.287 25627
4759 1 10 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.609 0.267 25627
4760 1 10 . 1 1 13 13 ARG C C 13 176.720 176.720 175.620 1.100 25627
4761 1 10 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.714 -0.406 25627
4762 1 10 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.230 0.524 25627
4763 1 10 . 1 1 13 13 ARG H H 13 8.374 8.374 8.454 -0.080 25627
4764 1 10 . 1 1 14 14 ALA N N 14 127.004 127.004 127.629 -0.625 25627
4765 1 10 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.371 -0.261 25627
4766 1 10 . 1 1 14 14 ALA C C 14 176.523 176.523 177.767 -1.244 25627
4767 1 10 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.352 0.189 25627
4768 1 10 . 1 1 14 14 ALA CB C 14 20.087 20.087 20.093 -0.006 25627
4769 1 10 . 1 1 14 14 ALA H H 14 8.725 8.725 8.572 0.153 25627
4770 1 10 . 1 1 15 15 LYS N N 15 117.157 117.157 119.837 -2.680 25627
4771 1 10 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.280 0.092 25627
4772 1 10 . 1 1 15 15 LYS C C 15 176.383 176.383 176.847 -0.464 25627
4773 1 10 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.684 -1.058 25627
4774 1 10 . 1 1 15 15 LYS CB C 15 34.610 34.610 32.824 1.786 25627
4775 1 10 . 1 1 15 15 LYS H H 15 8.518 8.518 8.525 -0.007 25627
4776 1 10 . 1 1 16 16 LYS N N 16 116.265 116.265 116.255 0.010 25627
4777 1 10 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.460 0.115 25627
4778 1 10 . 1 1 16 16 LYS C C 16 174.584 174.584 173.915 0.669 25627
4779 1 10 . 1 1 16 16 LYS CA C 16 54.694 54.694 55.383 -0.689 25627
4780 1 10 . 1 1 16 16 LYS CB C 16 35.604 35.604 33.664 1.940 25627
4781 1 10 . 1 1 16 16 LYS H H 16 7.429 7.429 7.461 -0.032 25627
4782 1 10 . 1 1 17 17 TRP N N 17 123.638 123.638 122.274 1.364 25627
4783 1 10 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.465 -0.680 25627
4784 1 10 . 1 1 17 17 TRP C C 17 174.781 174.781 174.993 -0.212 25627
4785 1 10 . 1 1 17 17 TRP CA C 17 61.877 61.877 58.797 3.080 25627
4786 1 10 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.738 -0.817 25627
4787 1 10 . 1 1 17 17 TRP H H 17 9.412 9.412 8.289 1.123 25627
4788 1 10 . 1 1 18 18 SER N N 18 119.926 119.926 119.585 0.341 25627
4789 1 10 . 1 1 18 18 SER HA H 18 3.831 3.831 4.265 -0.434 25627
4790 1 10 . 1 1 18 18 SER C C 18 172.100 172.100 173.970 -1.870 25627
4791 1 10 . 1 1 18 18 SER CA C 18 56.830 56.830 56.926 -0.096 25627
4792 1 10 . 1 1 18 18 SER CB C 18 66.241 66.241 65.079 1.162 25627
4793 1 10 . 1 1 18 18 SER H H 18 6.081 6.081 7.686 -1.605 25627
4794 1 10 . 1 1 19 19 GLU N N 19 120.673 120.673 122.908 -2.235 25627
4795 1 10 . 1 1 19 19 GLU HA H 19 3.647 3.647 4.007 -0.360 25627
4796 1 10 . 1 1 19 19 GLU C C 19 177.682 177.682 178.422 -0.740 25627
4797 1 10 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.908 0.671 25627
4798 1 10 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.703 -1.080 25627
4799 1 10 . 1 1 19 19 GLU H H 19 9.355 9.355 8.693 0.662 25627
4800 1 10 . 1 1 20 20 GLU N N 20 117.979 117.979 118.617 -0.638 25627
4801 1 10 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.092 0.132 25627
4802 1 10 . 1 1 20 20 GLU C C 20 179.454 179.454 178.718 0.736 25627
4803 1 10 . 1 1 20 20 GLU CA C 20 59.251 59.251 59.320 -0.069 25627
4804 1 10 . 1 1 20 20 GLU CB C 20 29.715 29.715 28.881 0.834 25627
4805 1 10 . 1 1 20 20 GLU H H 20 7.946 7.946 8.626 -0.680 25627
4806 1 10 . 1 1 21 21 ILE N N 21 121.560 121.560 120.019 1.541 25627
4807 1 10 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.951 -0.174 25627
4808 1 10 . 1 1 21 21 ILE C C 21 176.700 176.700 178.427 -1.727 25627
4809 1 10 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.994 -1.016 25627
4810 1 10 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.407 -0.313 25627
4811 1 10 . 1 1 21 21 ILE H H 21 7.122 7.122 7.675 -0.553 25627
4812 1 10 . 1 1 22 22 GLU N N 22 121.372 121.372 121.094 0.278 25627
4813 1 10 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.970 0.029 25627
4814 1 10 . 1 1 22 22 GLU C C 22 178.416 178.416 178.783 -0.367 25627
4815 1 10 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.436 -1.418 25627
4816 1 10 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.258 -1.106 25627
4817 1 10 . 1 1 22 22 GLU H H 22 8.017 8.017 8.752 -0.735 25627
4818 1 10 . 1 1 23 23 ASN N N 23 114.717 114.717 118.057 -3.340 25627
4819 1 10 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.575 0.162 25627
4820 1 10 . 1 1 23 23 ASN C C 23 177.565 177.565 177.888 -0.323 25627
4821 1 10 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.254 0.110 25627
4822 1 10 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.480 0.326 25627
4823 1 10 . 1 1 23 23 ASN H H 23 7.352 7.352 7.832 -0.480 25627
4824 1 10 . 1 1 24 24 LEU N N 24 122.083 122.083 120.938 1.145 25627
4825 1 10 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.964 0.439 25627
4826 1 10 . 1 1 24 24 LEU C C 24 178.487 178.487 179.138 -0.651 25627
4827 1 10 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.124 1.373 25627
4828 1 10 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.839 0.396 25627
4829 1 10 . 1 1 24 24 LEU H H 24 8.232 8.232 7.835 0.397 25627
4830 1 10 . 1 1 25 25 TYR N N 25 118.898 118.898 120.252 -1.354 25627
4831 1 10 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.169 -0.094 25627
4832 1 10 . 1 1 25 25 TYR C C 25 177.164 177.164 177.547 -0.383 25627
4833 1 10 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.121 0.420 25627
4834 1 10 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.252 -0.718 25627
4835 1 10 . 1 1 25 25 TYR H H 25 9.056 9.056 8.900 0.156 25627
4836 1 10 . 1 1 26 26 ARG N N 26 119.000 119.000 118.777 0.223 25627
4837 1 10 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.468 -0.110 25627
4838 1 10 . 1 1 26 26 ARG C C 26 179.709 179.709 178.804 0.905 25627
4839 1 10 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.237 1.032 25627
4840 1 10 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.537 -0.943 25627
4841 1 10 . 1 1 26 26 ARG H H 26 7.672 7.672 7.923 -0.251 25627
4842 1 10 . 1 1 27 27 PHE N N 27 119.640 119.640 120.083 -0.443 25627
4843 1 10 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.141 -0.271 25627
4844 1 10 . 1 1 27 27 PHE C C 27 178.542 178.542 177.922 0.620 25627
4845 1 10 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.193 2.239 25627
4846 1 10 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.635 -0.675 25627
4847 1 10 . 1 1 27 27 PHE H H 27 8.497 8.497 8.917 -0.420 25627
4848 1 10 . 1 1 28 28 GLN N N 28 120.400 120.400 118.595 1.805 25627
4849 1 10 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.009 0.716 25627
4850 1 10 . 1 1 28 28 GLN C C 28 182.258 182.258 178.629 3.629 25627
4851 1 10 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.727 0.236 25627
4852 1 10 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.625 -1.864 25627
4853 1 10 . 1 1 28 28 GLN H H 28 8.995 8.995 8.607 0.388 25627
4854 1 10 . 1 1 29 29 GLN N N 29 122.649 122.649 117.537 5.112 25627
4855 1 10 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.899 0.057 25627
4856 1 10 . 1 1 29 29 GLN C C 29 177.046 177.046 177.715 -0.669 25627
4857 1 10 . 1 1 29 29 GLN CA C 29 58.229 58.229 57.924 0.305 25627
4858 1 10 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.087 1.123 25627
4859 1 10 . 1 1 29 29 GLN H H 29 8.728 8.728 7.904 0.824 25627
4860 1 10 . 1 1 30 30 ALA N N 30 117.672 117.672 117.982 -0.310 25627
4861 1 10 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.864 0.265 25627
4862 1 10 . 1 1 30 30 ALA C C 30 175.371 175.371 176.877 -1.506 25627
4863 1 10 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.901 -0.689 25627
4864 1 10 . 1 1 30 30 ALA CB C 30 19.196 19.196 19.158 0.038 25627
4865 1 10 . 1 1 30 30 ALA H H 30 7.120 7.120 7.583 -0.463 25627
4866 1 10 . 1 1 31 31 GLY N N 31 103.200 103.200 102.694 0.506 25627
4867 1 10 . 1 1 31 31 GLY C C 31 173.625 173.625 173.640 -0.015 25627
4868 1 10 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.730 0.578 25627
4869 1 10 . 1 1 31 31 GLY H H 31 7.474 7.474 7.749 -0.275 25627
4870 1 10 . 1 1 32 32 TYR N N 32 121.303 121.303 119.942 1.361 25627
4871 1 10 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.816 0.120 25627
4872 1 10 . 1 1 32 32 TYR C C 32 174.419 174.419 175.819 -1.400 25627
4873 1 10 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.081 1.131 25627
4874 1 10 . 1 1 32 32 TYR CB C 32 42.414 42.414 39.883 2.530 25627
4875 1 10 . 1 1 32 32 TYR H H 32 8.403 8.403 7.884 0.519 25627
4876 1 10 . 1 1 33 33 ARG N N 33 118.245 118.245 119.511 -1.266 25627
4877 1 10 . 1 1 33 33 ARG HA H 33 3.951 3.951 4.034 -0.083 25627
4878 1 10 . 1 1 33 33 ARG C C 33 175.618 175.618 175.082 0.536 25627
4879 1 10 . 1 1 33 33 ARG CA C 33 60.574 60.574 56.734 3.840 25627
4880 1 10 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.600 1.385 25627
4881 1 10 . 1 1 33 33 ARG H H 33 9.571 9.571 8.721 0.850 25627
4882 1 10 . 1 1 34 34 ASP N N 34 105.630 105.630 115.777 -10.147 25627
4883 1 10 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.171 -0.348 25627
4884 1 10 . 1 1 34 34 ASP C C 34 174.754 174.754 175.842 -1.088 25627
4885 1 10 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.762 -0.497 25627
4886 1 10 . 1 1 34 34 ASP CB C 34 39.819 39.819 41.551 -1.732 25627
4887 1 10 . 1 1 34 34 ASP H H 34 6.995 6.995 7.825 -0.830 25627
4888 1 10 . 1 1 35 35 GLU N N 35 118.215 118.215 118.482 -0.267 25627
4889 1 10 . 1 1 35 35 GLU HA H 35 2.903 2.903 4.350 -1.447 25627
4890 1 10 . 1 1 35 35 GLU C C 35 177.043 177.043 178.791 -1.748 25627
4891 1 10 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.982 -1.381 25627
4892 1 10 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.669 0.444 25627
4893 1 10 . 1 1 35 35 GLU H H 35 7.818 7.818 8.380 -0.562 25627
4894 1 10 . 1 1 36 36 ILE N N 36 118.404 118.404 119.394 -0.990 25627
4895 1 10 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.613 -0.192 25627
4896 1 10 . 1 1 36 36 ILE C C 36 179.143 179.143 177.933 1.210 25627
4897 1 10 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.885 -1.425 25627
4898 1 10 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.883 -1.381 25627
4899 1 10 . 1 1 36 36 ILE H H 36 6.833 6.833 9.367 -2.534 25627
4900 1 10 . 1 1 37 37 GLU N N 37 120.573 120.573 119.645 0.928 25627
4901 1 10 . 1 1 37 37 GLU HA H 37 4.006 4.006 3.975 0.031 25627
4902 1 10 . 1 1 37 37 GLU C C 37 178.417 178.417 178.296 0.121 25627
4903 1 10 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.954 0.470 25627
4904 1 10 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.082 0.816 25627
4905 1 10 . 1 1 37 37 GLU H H 37 8.463 8.463 7.908 0.555 25627
4906 1 10 . 1 1 38 38 TYR N N 38 117.942 117.942 121.074 -3.132 25627
4907 1 10 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.392 0.091 25627
4908 1 10 . 1 1 38 38 TYR C C 38 176.772 176.772 177.447 -0.675 25627
4909 1 10 . 1 1 38 38 TYR CA C 38 62.767 62.767 61.246 1.521 25627
4910 1 10 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.377 1.602 25627
4911 1 10 . 1 1 38 38 TYR H H 38 7.949 7.949 8.073 -0.124 25627
4912 1 10 . 1 1 39 39 LYS N N 39 115.539 115.539 117.954 -2.415 25627
4913 1 10 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.601 0.047 25627
4914 1 10 . 1 1 39 39 LYS C C 39 179.543 179.543 179.215 0.328 25627
4915 1 10 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.846 0.801 25627
4916 1 10 . 1 1 39 39 LYS CB C 39 32.223 32.223 32.098 0.125 25627
4917 1 10 . 1 1 39 39 LYS H H 39 8.287 8.287 8.480 -0.193 25627
4918 1 10 . 1 1 40 40 GLN N N 40 118.265 118.265 118.062 0.203 25627
4919 1 10 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.013 -0.002 25627
4920 1 10 . 1 1 40 40 GLN C C 40 178.263 178.263 177.997 0.266 25627
4921 1 10 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.223 0.530 25627
4922 1 10 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.416 0.160 25627
4923 1 10 . 1 1 40 40 GLN H H 40 7.605 7.605 7.533 0.072 25627
4924 1 10 . 1 1 41 41 VAL N N 41 118.627 118.627 119.224 -0.597 25627
4925 1 10 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.624 0.138 25627
4926 1 10 . 1 1 41 41 VAL C C 41 178.092 178.092 177.777 0.315 25627
4927 1 10 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.518 0.191 25627
4928 1 10 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.568 1.074 25627
4929 1 10 . 1 1 41 41 VAL H H 41 8.470 8.470 7.883 0.587 25627
4930 1 10 . 1 1 42 42 LYS N N 42 115.117 115.117 116.242 -1.125 25627
4931 1 10 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.276 -0.026 25627
4932 1 10 . 1 1 42 42 LYS C C 42 176.102 176.102 175.804 0.298 25627
4933 1 10 . 1 1 42 42 LYS CA C 42 53.901 53.901 55.178 -1.277 25627
4934 1 10 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.560 -1.395 25627
4935 1 10 . 1 1 42 42 LYS H H 42 8.263 8.263 7.557 0.706 25627
4936 1 10 . 1 1 43 43 GLN N N 43 116.108 116.108 116.113 -0.005 25627
4937 1 10 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.959 0.009 25627
4938 1 10 . 1 1 43 43 GLN C C 43 175.125 175.125 175.105 0.020 25627
4939 1 10 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.716 -0.161 25627
4940 1 10 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.837 0.075 25627
4941 1 10 . 1 1 43 43 GLN H H 43 7.717 7.717 7.747 -0.030 25627
4942 1 10 . 1 1 44 44 VAL N N 44 110.285 110.285 114.577 -4.292 25627
4943 1 10 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.428 0.130 25627
4944 1 10 . 1 1 44 44 VAL C C 44 175.431 175.431 174.043 1.388 25627
4945 1 10 . 1 1 44 44 VAL CA C 44 59.240 59.240 58.940 0.300 25627
4946 1 10 . 1 1 44 44 VAL CB C 44 34.732 34.732 34.284 0.448 25627
4947 1 10 . 1 1 44 44 VAL H H 44 6.817 6.817 7.628 -0.811 25627
4948 1 10 . 1 1 45 45 ALA N N 45 123.422 123.422 122.126 1.296 25627
4949 1 10 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.593 -0.238 25627
4950 1 10 . 1 1 45 45 ALA C C 45 177.543 177.543 176.584 0.959 25627
4951 1 10 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.142 0.679 25627
4952 1 10 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.341 0.471 25627
4953 1 10 . 1 1 45 45 ALA H H 45 8.571 8.571 8.194 0.377 25627
4954 1 10 . 1 1 46 46 MET N N 46 114.808 114.808 118.991 -4.183 25627
4955 1 10 . 1 1 46 46 MET HA H 46 4.724 4.724 4.683 0.041 25627
4956 1 10 . 1 1 46 46 MET C C 46 173.698 173.698 174.219 -0.521 25627
4957 1 10 . 1 1 46 46 MET CA C 46 54.230 54.230 55.106 -0.876 25627
4958 1 10 . 1 1 46 46 MET CB C 46 34.793 34.793 36.330 -1.537 25627
4959 1 10 . 1 1 46 46 MET H H 46 7.657 7.657 7.739 -0.082 25627
4960 1 10 . 1 1 47 47 VAL N N 47 120.757 120.757 122.348 -1.591 25627
4961 1 10 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.485 -0.206 25627
4962 1 10 . 1 1 47 47 VAL C C 47 174.985 174.985 175.018 -0.033 25627
4963 1 10 . 1 1 47 47 VAL CA C 47 61.036 61.036 60.679 0.357 25627
4964 1 10 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.529 0.297 25627
4965 1 10 . 1 1 47 47 VAL H H 47 8.459 8.459 8.534 -0.075 25627
4966 1 10 . 1 1 48 48 ASP N N 48 126.251 126.251 126.801 -0.550 25627
4967 1 10 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.654 -0.181 25627
4968 1 10 . 1 1 48 48 ASP C C 48 175.819 175.819 175.264 0.555 25627
4969 1 10 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.708 0.764 25627
4970 1 10 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.658 0.476 25627
4971 1 10 . 1 1 48 48 ASP H H 48 8.929 8.929 8.642 0.287 25627
4972 1 10 . 1 1 49 49 ARG N N 49 122.995 122.995 120.258 2.737 25627
4973 1 10 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.395 -0.636 25627
4974 1 10 . 1 1 49 49 ARG C C 49 176.363 176.363 175.211 1.152 25627
4975 1 10 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.576 0.038 25627
4976 1 10 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.850 -0.380 25627
4977 1 10 . 1 1 49 49 ARG H H 49 8.534 8.534 8.227 0.307 25627
4978 1 10 . 1 1 50 50 TRP N N 50 125.191 125.191 121.749 3.442 25627
4979 1 10 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.177 -0.513 25627
4980 1 10 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.559 0.036 25627
4981 1 10 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.049 0.064 25627
4982 1 10 . 1 1 50 50 TRP H H 50 9.111 9.111 8.423 0.688 25627
4983 1 10 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.218 0.127 25627
4984 1 10 . 1 1 51 51 PRO C C 51 178.698 178.698 177.443 1.255 25627
4985 1 10 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.320 -0.746 25627
4986 1 10 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.175 -0.012 25627
4987 1 10 . 1 1 52 52 GLU N N 52 116.570 116.570 119.466 -2.896 25627
4988 1 10 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.197 -0.227 25627
4989 1 10 . 1 1 52 52 GLU C C 52 178.031 178.031 177.806 0.225 25627
4990 1 10 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.787 1.971 25627
4991 1 10 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.806 -0.192 25627
4992 1 10 . 1 1 52 52 GLU H H 52 9.951 9.951 8.665 1.286 25627
4993 1 10 . 1 1 53 53 THR N N 53 103.788 103.788 107.143 -3.355 25627
4994 1 10 . 1 1 53 53 THR HA H 53 4.135 4.135 4.342 -0.207 25627
4995 1 10 . 1 1 53 53 THR C C 53 175.731 175.731 175.329 0.402 25627
4996 1 10 . 1 1 53 53 THR CA C 53 60.427 60.427 62.343 -1.916 25627
4997 1 10 . 1 1 53 53 THR CB C 53 70.762 70.762 71.584 -0.822 25627
4998 1 10 . 1 1 53 53 THR H H 53 7.120 7.120 7.719 -0.599 25627
4999 1 10 . 1 1 54 54 GLY N N 54 109.195 109.195 111.486 -2.291 25627
5000 1 10 . 1 1 54 54 GLY C C 54 174.593 174.593 173.733 0.860 25627
5001 1 10 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.183 0.565 25627
5002 1 10 . 1 1 54 54 GLY H H 54 8.227 8.227 8.424 -0.197 25627
5003 1 10 . 1 1 55 55 TYR N N 55 119.038 119.038 118.766 0.272 25627
5004 1 10 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.555 1.150 25627
5005 1 10 . 1 1 55 55 TYR C C 55 177.556 177.556 176.244 1.312 25627
5006 1 10 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.745 -4.015 25627
5007 1 10 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.327 -0.586 25627
5008 1 10 . 1 1 55 55 TYR H H 55 7.353 7.353 7.460 -0.107 25627
5009 1 10 . 1 1 56 56 VAL N N 56 120.089 120.089 120.484 -0.395 25627
5010 1 10 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.008 -0.395 25627
5011 1 10 . 1 1 56 56 VAL C C 56 174.564 174.564 176.896 -2.332 25627
5012 1 10 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.571 0.196 25627
5013 1 10 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.320 1.447 25627
5014 1 10 . 1 1 56 56 VAL H H 56 8.252 8.252 9.019 -0.767 25627
5015 1 10 . 1 1 57 57 LYS N N 57 127.233 127.233 128.447 -1.214 25627
5016 1 10 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.807 -0.359 25627
5017 1 10 . 1 1 57 57 LYS C C 57 175.256 175.256 176.203 -0.947 25627
5018 1 10 . 1 1 57 57 LYS CA C 57 57.983 57.983 58.150 -0.167 25627
5019 1 10 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.876 1.374 25627
5020 1 10 . 1 1 57 57 LYS H H 57 9.005 9.005 9.093 -0.088 25627
5021 1 10 . 1 1 58 58 LYS N N 58 115.918 115.918 115.987 -0.069 25627
5022 1 10 . 1 1 58 58 LYS HA H 58 5.370 5.370 4.803 0.567 25627
5023 1 10 . 1 1 58 58 LYS C C 58 174.030 174.030 175.339 -1.309 25627
5024 1 10 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.105 -0.251 25627
5025 1 10 . 1 1 58 58 LYS CB C 58 35.823 35.823 35.654 0.169 25627
5026 1 10 . 1 1 58 58 LYS H H 58 6.921 6.921 7.619 -0.698 25627
5027 1 10 . 1 1 59 59 LEU N N 59 121.666 121.666 122.639 -0.973 25627
5028 1 10 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.544 0.105 25627
5029 1 10 . 1 1 59 59 LEU C C 59 174.451 174.451 175.047 -0.596 25627
5030 1 10 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.470 -0.998 25627
5031 1 10 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.331 0.608 25627
5032 1 10 . 1 1 59 59 LEU H H 59 8.793 8.793 9.008 -0.215 25627
5033 1 10 . 1 1 60 60 GLN N N 60 121.710 121.710 124.329 -2.619 25627
5034 1 10 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.371 0.065 25627
5035 1 10 . 1 1 60 60 GLN C C 60 176.636 176.636 175.438 1.198 25627
5036 1 10 . 1 1 60 60 GLN CA C 60 54.917 54.917 56.154 -1.237 25627
5037 1 10 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.667 0.669 25627
5038 1 10 . 1 1 60 60 GLN H H 60 8.879 8.879 8.783 0.096 25627
5039 1 10 . 1 1 61 61 ARG N N 61 126.172 126.172 124.453 1.719 25627
5040 1 10 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.133 0.410 25627
5041 1 10 . 1 1 61 61 ARG C C 61 178.315 178.315 177.684 0.631 25627
5042 1 10 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.470 2.103 25627
5043 1 10 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.863 1.038 25627
5044 1 10 . 1 1 61 61 ARG H H 61 9.387 9.387 8.726 0.661 25627
5045 1 10 . 1 1 62 62 ARG N N 62 123.754 123.754 120.253 3.501 25627
5046 1 10 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.121 -0.253 25627
5047 1 10 . 1 1 62 62 ARG C C 62 176.508 176.508 176.574 -0.066 25627
5048 1 10 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.364 1.500 25627
5049 1 10 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.917 -0.453 25627
5050 1 10 . 1 1 62 62 ARG H H 62 9.385 9.385 8.571 0.814 25627
5051 1 10 . 1 1 63 63 ASP N N 63 116.155 116.155 117.449 -1.294 25627
5052 1 10 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.662 -0.232 25627
5053 1 10 . 1 1 63 63 ASP C C 63 176.163 176.163 175.579 0.584 25627
5054 1 10 . 1 1 63 63 ASP CA C 63 53.186 53.186 54.248 -1.062 25627
5055 1 10 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.700 -0.944 25627
5056 1 10 . 1 1 63 63 ASP H H 63 7.505 7.505 8.088 -0.583 25627
5057 1 10 . 1 1 64 64 ASN N N 64 110.183 110.183 113.395 -3.212 25627
5058 1 10 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.247 -0.160 25627
5059 1 10 . 1 1 64 64 ASN C C 64 175.432 175.432 173.653 1.779 25627
5060 1 10 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.664 0.766 25627
5061 1 10 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.376 -0.342 25627
5062 1 10 . 1 1 64 64 ASN H H 64 7.791 7.791 8.562 -0.771 25627
5063 1 10 . 1 1 65 65 THR N N 65 112.736 112.736 110.752 1.984 25627
5064 1 10 . 1 1 65 65 THR HA H 65 4.414 4.414 4.307 0.107 25627
5065 1 10 . 1 1 65 65 THR C C 65 173.653 173.653 174.175 -0.522 25627
5066 1 10 . 1 1 65 65 THR CA C 65 62.342 62.342 61.389 0.953 25627
5067 1 10 . 1 1 65 65 THR CB C 65 70.946 70.946 69.310 1.636 25627
5068 1 10 . 1 1 65 65 THR H H 65 7.921 7.921 7.393 0.528 25627
5069 1 10 . 1 1 66 66 PHE N N 66 118.850 118.850 124.782 -5.932 25627
5070 1 10 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.522 0.622 25627
5071 1 10 . 1 1 66 66 PHE C C 66 174.762 174.762 175.137 -0.375 25627
5072 1 10 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.518 -0.039 25627
5073 1 10 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.561 2.702 25627
5074 1 10 . 1 1 66 66 PHE H H 66 8.926 8.926 8.788 0.138 25627
5075 1 10 . 1 1 67 67 PHE N N 67 124.259 124.259 126.639 -2.380 25627
5076 1 10 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.773 -0.109 25627
5077 1 10 . 1 1 67 67 PHE C C 67 173.553 173.553 173.209 0.344 25627
5078 1 10 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.316 -0.412 25627
5079 1 10 . 1 1 67 67 PHE CB C 67 42.337 42.337 41.998 0.339 25627
5080 1 10 . 1 1 67 67 PHE H H 67 9.142 9.142 8.397 0.745 25627
5081 1 10 . 1 1 68 68 TYR N N 68 122.881 122.881 126.762 -3.881 25627
5082 1 10 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.492 0.379 25627
5083 1 10 . 1 1 68 68 TYR C C 68 174.835 174.835 175.188 -0.353 25627
5084 1 10 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.500 -1.107 25627
5085 1 10 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.902 1.287 25627
5086 1 10 . 1 1 68 68 TYR H H 68 8.064 8.064 8.250 -0.186 25627
5087 1 10 . 1 1 69 69 TYR N N 69 118.675 118.675 124.030 -5.355 25627
5088 1 10 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.716 0.309 25627
5089 1 10 . 1 1 69 69 TYR C C 69 177.181 177.181 175.147 2.034 25627
5090 1 10 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.427 -0.515 25627
5091 1 10 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.203 2.220 25627
5092 1 10 . 1 1 69 69 TYR H H 69 8.384 8.384 8.536 -0.152 25627
5093 1 10 . 1 1 70 70 ASN N N 70 122.917 122.917 119.604 3.313 25627
5094 1 10 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.801 -0.006 25627
5095 1 10 . 1 1 70 70 ASN C C 70 175.433 175.433 176.274 -0.841 25627
5096 1 10 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.031 1.328 25627
5097 1 10 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.622 -0.245 25627
5098 1 10 . 1 1 70 70 ASN H H 70 9.832 9.832 8.675 1.157 25627
5099 1 10 . 1 1 71 71 LYS N N 71 123.116 123.116 124.372 -1.256 25627
5100 1 10 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.129 -1.890 25627
5101 1 10 . 1 1 71 71 LYS C C 71 175.495 175.495 177.328 -1.833 25627
5102 1 10 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.903 -0.482 25627
5103 1 10 . 1 1 71 71 LYS CB C 71 32.077 32.077 31.846 0.231 25627
5104 1 10 . 1 1 71 71 LYS H H 71 8.047 8.047 8.516 -0.469 25627
5105 1 10 . 1 1 72 72 GLU N N 72 113.242 113.242 118.766 -5.524 25627
5106 1 10 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.323 0.055 25627
5107 1 10 . 1 1 72 72 GLU C C 72 175.018 175.018 175.637 -0.619 25627
5108 1 10 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.135 -0.328 25627
5109 1 10 . 1 1 72 72 GLU CB C 72 30.432 30.432 27.747 2.685 25627
5110 1 10 . 1 1 72 72 GLU H H 72 7.335 7.335 8.424 -1.089 25627
5111 1 10 . 1 1 73 73 ARG N N 73 118.120 118.120 120.575 -2.455 25627
5112 1 10 . 1 1 73 73 ARG HA H 73 3.354 3.354 4.090 -0.736 25627
5113 1 10 . 1 1 73 73 ARG C C 73 175.859 175.859 176.438 -0.579 25627
5114 1 10 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.083 0.591 25627
5115 1 10 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.471 0.663 25627
5116 1 10 . 1 1 73 73 ARG H H 73 8.174 8.174 7.529 0.645 25627
5117 1 10 . 1 1 74 74 GLU N N 74 127.360 127.360 121.888 5.472 25627
5118 1 10 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.178 0.315 25627
5119 1 10 . 1 1 74 74 GLU C C 74 176.415 176.415 175.118 1.297 25627
5120 1 10 . 1 1 74 74 GLU CA C 74 57.061 57.061 56.069 0.992 25627
5121 1 10 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.785 3.677 25627
5122 1 10 . 1 1 74 74 GLU H H 74 10.788 10.788 8.617 2.171 25627
5123 1 10 . 1 1 75 75 CYS N N 75 123.441 123.441 117.913 5.528 25627
5124 1 10 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.438 -0.962 25627
5125 1 10 . 1 1 75 75 CYS C C 75 174.198 174.198 174.372 -0.174 25627
5126 1 10 . 1 1 75 75 CYS CA C 75 59.022 59.022 58.922 0.100 25627
5127 1 10 . 1 1 75 75 CYS CB C 75 26.222 26.222 27.948 -1.726 25627
5128 1 10 . 1 1 75 75 CYS H H 75 9.198 9.198 7.688 1.510 25627
5129 1 10 . 1 1 76 76 GLU N N 76 131.177 131.177 123.154 8.023 25627
5130 1 10 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.284 -0.289 25627
5131 1 10 . 1 1 76 76 GLU C C 76 177.122 177.122 175.917 1.205 25627
5132 1 10 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.714 2.102 25627
5133 1 10 . 1 1 76 76 GLU CB C 76 30.668 30.668 33.017 -2.349 25627
5134 1 10 . 1 1 76 76 GLU H H 76 8.452 8.452 8.022 0.430 25627
5135 1 10 . 1 1 77 77 ASP N N 77 123.154 123.154 121.225 1.929 25627
5136 1 10 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.350 -0.014 25627
5137 1 10 . 1 1 77 77 ASP C C 77 179.545 179.545 177.523 2.022 25627
5138 1 10 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.326 1.284 25627
5139 1 10 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.140 -0.191 25627
5140 1 10 . 1 1 77 77 ASP H H 77 9.067 9.067 8.782 0.285 25627
5141 1 10 . 1 1 78 78 LYS N N 78 116.055 116.055 120.406 -4.351 25627
5142 1 10 . 1 1 78 78 LYS HA H 78 4.298 4.298 3.953 0.345 25627
5143 1 10 . 1 1 78 78 LYS C C 78 176.146 176.146 178.725 -2.579 25627
5144 1 10 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.677 -1.193 25627
5145 1 10 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.369 -0.529 25627
5146 1 10 . 1 1 78 78 LYS H H 78 8.664 8.664 8.329 0.335 25627
5147 1 10 . 1 1 79 79 GLU N N 79 117.481 117.481 119.114 -1.633 25627
5148 1 10 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.123 0.324 25627
5149 1 10 . 1 1 79 79 GLU C C 79 177.666 177.666 179.058 -1.392 25627
5150 1 10 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.937 -3.332 25627
5151 1 10 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.739 1.249 25627
5152 1 10 . 1 1 79 79 GLU H H 79 7.735 7.735 8.185 -0.450 25627
5153 1 10 . 1 1 80 80 VAL N N 80 121.192 121.192 120.660 0.532 25627
5154 1 10 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.675 -0.432 25627
5155 1 10 . 1 1 80 80 VAL C C 80 176.731 176.731 177.712 -0.981 25627
5156 1 10 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.411 0.464 25627
5157 1 10 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.210 0.963 25627
5158 1 10 . 1 1 80 80 VAL H H 80 7.274 7.274 7.745 -0.471 25627
5159 1 10 . 1 1 81 81 HIS N N 81 112.861 112.861 117.759 -4.898 25627
5160 1 10 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.263 0.385 25627
5161 1 10 . 1 1 81 81 HIS C C 81 175.330 175.330 176.640 -1.310 25627
5162 1 10 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.131 -1.384 25627
5163 1 10 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.049 -0.869 25627
5164 1 10 . 1 1 81 81 HIS H H 81 8.157 8.157 7.974 0.183 25627
5165 1 10 . 1 1 82 82 LYS N N 82 117.850 117.850 116.692 1.158 25627
5166 1 10 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.106 -0.095 25627
5167 1 10 . 1 1 82 82 LYS C C 82 177.430 177.430 177.229 0.201 25627
5168 1 10 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.587 -0.996 25627
5169 1 10 . 1 1 82 82 LYS CB C 82 33.083 33.083 33.111 -0.028 25627
5170 1 10 . 1 1 82 82 LYS H H 82 7.264 7.264 7.606 -0.342 25627
5171 1 10 . 1 1 83 83 VAL N N 83 123.619 123.619 120.144 3.475 25627
5172 1 10 . 1 1 83 83 VAL HA H 83 3.880 3.880 3.951 -0.071 25627
5173 1 10 . 1 1 83 83 VAL C C 83 175.239 175.239 175.031 0.208 25627
5174 1 10 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.414 1.398 25627
5175 1 10 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.189 -0.641 25627
5176 1 10 . 1 1 83 83 VAL H H 83 8.126 8.126 7.993 0.133 25627
5177 1 10 . 1 1 84 84 LYS N N 84 128.994 128.994 125.945 3.049 25627
5178 1 10 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.725 -0.272 25627
5179 1 10 . 1 1 84 84 LYS C C 84 174.399 174.399 175.671 -1.272 25627
5180 1 10 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.570 1.247 25627
5181 1 10 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.657 -0.551 25627
5182 1 10 . 1 1 84 84 LYS H H 84 9.031 9.031 8.020 1.011 25627
5183 1 10 . 1 1 85 85 VAL N N 85 120.723 120.723 123.368 -2.645 25627
5184 1 10 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.528 -0.498 25627
5185 1 10 . 1 1 85 85 VAL C C 85 175.482 175.482 174.581 0.901 25627
5186 1 10 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.383 0.259 25627
5187 1 10 . 1 1 85 85 VAL CB C 85 32.488 32.488 33.252 -0.764 25627
5188 1 10 . 1 1 85 85 VAL H H 85 8.299 8.299 9.079 -0.780 25627
5189 1 10 . 1 1 86 86 TYR N N 86 126.214 126.214 128.846 -2.632 25627
5190 1 10 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.921 -0.195 25627
5191 1 10 . 1 1 86 86 TYR C C 86 175.214 175.214 174.882 0.332 25627
5192 1 10 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.993 2.547 25627
5193 1 10 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.430 1.622 25627
5194 1 10 . 1 1 86 86 TYR H H 86 8.077 8.077 8.781 -0.704 25627
5195 1 10 . 1 1 87 87 VAL N N 87 123.680 123.680 121.416 2.264 25627
5196 1 10 . 1 1 87 87 VAL HA H 87 4.196 4.196 3.986 0.210 25627
5197 1 10 . 1 1 87 87 VAL C C 87 174.322 174.322 173.930 0.392 25627
5198 1 10 . 1 1 87 87 VAL CA C 87 61.901 61.901 60.332 1.569 25627
5199 1 10 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.567 0.212 25627
5200 1 10 . 1 1 87 87 VAL H H 87 8.133 8.133 8.873 -0.740 25627
5201 1 11 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.399 -0.269 25627
5202 1 11 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 58.072 -3.224 25627
5203 1 11 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 30.179 1.494 25627
5204 1 11 . 1 1 0 0 MET N N 0 120.413 120.413 118.486 1.927 25627
5205 1 11 . 1 1 0 0 MET HA H 0 4.350 4.350 4.467 -0.117 25627
5206 1 11 . 1 1 0 0 MET C C 0 175.829 175.829 175.233 0.596 25627
5207 1 11 . 1 1 0 0 MET CA C 0 55.134 55.134 55.369 -0.235 25627
5208 1 11 . 1 1 0 0 MET CB C 0 32.391 32.391 33.345 -0.954 25627
5209 1 11 . 1 1 0 0 MET H H 0 8.332 8.332 7.905 0.427 25627
5210 1 11 . 1 1 1 1 MET N N 1 121.120 121.120 117.933 3.187 25627
5211 1 11 . 1 1 1 1 MET HA H 1 4.443 4.443 4.054 0.389 25627
5212 1 11 . 1 1 1 1 MET C C 1 175.772 175.772 174.652 1.120 25627
5213 1 11 . 1 1 1 1 MET CA C 1 55.446 55.446 55.537 -0.091 25627
5214 1 11 . 1 1 1 1 MET CB C 1 32.774 32.774 32.998 -0.224 25627
5215 1 11 . 1 1 1 1 MET H H 1 8.287 8.287 8.229 0.058 25627
5216 1 11 . 1 1 2 2 ALA N N 2 125.673 125.673 126.430 -0.757 25627
5217 1 11 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.358 0.009 25627
5218 1 11 . 1 1 2 2 ALA C C 2 177.821 177.821 177.441 0.380 25627
5219 1 11 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.037 0.531 25627
5220 1 11 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.612 -0.375 25627
5221 1 11 . 1 1 2 2 ALA H H 2 8.373 8.373 8.436 -0.063 25627
5222 1 11 . 1 1 3 3 THR N N 3 113.038 113.038 115.574 -2.536 25627
5223 1 11 . 1 1 3 3 THR HA H 3 4.354 4.354 4.054 0.300 25627
5224 1 11 . 1 1 3 3 THR C C 3 174.577 174.577 174.664 -0.087 25627
5225 1 11 . 1 1 3 3 THR CA C 3 61.679 61.679 63.460 -1.781 25627
5226 1 11 . 1 1 3 3 THR CB C 3 69.864 69.864 68.028 1.835 25627
5227 1 11 . 1 1 3 3 THR H H 3 8.099 8.099 8.411 -0.312 25627
5228 1 11 . 1 1 4 4 SER N N 4 117.235 117.235 120.468 -3.233 25627
5229 1 11 . 1 1 4 4 SER HA H 4 4.440 4.440 4.091 0.349 25627
5230 1 11 . 1 1 4 4 SER C C 4 173.887 173.887 173.608 0.279 25627
5231 1 11 . 1 1 4 4 SER CA C 4 58.314 58.314 60.298 -1.984 25627
5232 1 11 . 1 1 4 4 SER CB C 4 63.951 63.951 62.404 1.547 25627
5233 1 11 . 1 1 4 4 SER H H 4 8.238 8.238 8.950 -0.712 25627
5234 1 11 . 1 1 5 5 ASP N N 5 122.543 122.543 117.940 4.603 25627
5235 1 11 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.189 0.394 25627
5236 1 11 . 1 1 5 5 ASP C C 5 175.690 175.690 175.917 -0.227 25627
5237 1 11 . 1 1 5 5 ASP CA C 5 54.146 54.146 55.233 -1.087 25627
5238 1 11 . 1 1 5 5 ASP CB C 5 41.166 41.166 39.398 1.768 25627
5239 1 11 . 1 1 5 5 ASP H H 5 8.321 8.321 7.954 0.367 25627
5240 1 11 . 1 1 6 6 VAL N N 6 121.235 121.235 118.544 2.691 25627
5241 1 11 . 1 1 6 6 VAL HA H 6 4.098 4.098 3.854 0.244 25627
5242 1 11 . 1 1 6 6 VAL C C 6 175.211 175.211 176.205 -0.994 25627
5243 1 11 . 1 1 6 6 VAL CA C 6 62.322 62.322 64.341 -2.019 25627
5244 1 11 . 1 1 6 6 VAL CB C 6 32.581 32.581 31.905 0.676 25627
5245 1 11 . 1 1 6 6 VAL H H 6 7.942 7.942 7.629 0.313 25627
5246 1 11 . 1 1 7 7 LYS N N 7 125.356 125.356 128.937 -3.581 25627
5247 1 11 . 1 1 7 7 LYS CA C 7 53.311 53.311 53.246 0.065 25627
5248 1 11 . 1 1 7 7 LYS CB C 7 33.494 33.494 32.194 1.300 25627
5249 1 11 . 1 1 7 7 LYS H H 7 8.383 8.383 8.010 0.373 25627
5250 1 11 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.390 -0.431 25627
5251 1 11 . 1 1 8 8 PRO C C 8 176.346 176.346 176.279 0.067 25627
5252 1 11 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.067 -0.074 25627
5253 1 11 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.380 -0.377 25627
5254 1 11 . 1 1 9 9 LYS N N 9 122.609 122.609 121.316 1.293 25627
5255 1 11 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.237 0.050 25627
5256 1 11 . 1 1 9 9 LYS C C 9 177.164 177.164 176.231 0.933 25627
5257 1 11 . 1 1 9 9 LYS CA C 9 57.222 57.222 56.836 0.386 25627
5258 1 11 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.527 0.435 25627
5259 1 11 . 1 1 9 9 LYS H H 9 9.393 9.393 8.399 0.994 25627
5260 1 11 . 1 1 10 10 SER N N 10 111.655 111.655 112.389 -0.734 25627
5261 1 11 . 1 1 10 10 SER HA H 10 4.563 4.563 4.639 -0.076 25627
5262 1 11 . 1 1 10 10 SER C C 10 171.697 171.697 172.351 -0.654 25627
5263 1 11 . 1 1 10 10 SER CA C 10 57.614 57.614 57.931 -0.317 25627
5264 1 11 . 1 1 10 10 SER CB C 10 64.687 64.687 65.310 -0.623 25627
5265 1 11 . 1 1 10 10 SER H H 10 7.846 7.846 7.754 0.092 25627
5266 1 11 . 1 1 11 11 ILE N N 11 121.054 121.054 120.293 0.761 25627
5267 1 11 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.390 0.141 25627
5268 1 11 . 1 1 11 11 ILE C C 11 175.460 175.460 175.014 0.446 25627
5269 1 11 . 1 1 11 11 ILE CA C 11 60.794 60.794 61.214 -0.420 25627
5270 1 11 . 1 1 11 11 ILE CB C 11 41.105 41.105 40.668 0.437 25627
5271 1 11 . 1 1 11 11 ILE H H 11 8.128 8.128 8.385 -0.257 25627
5272 1 11 . 1 1 12 12 SER N N 12 122.340 122.340 121.820 0.520 25627
5273 1 11 . 1 1 12 12 SER HA H 12 4.757 4.757 4.842 -0.085 25627
5274 1 11 . 1 1 12 12 SER C C 12 172.771 172.771 172.752 0.019 25627
5275 1 11 . 1 1 12 12 SER CA C 12 56.498 56.498 57.099 -0.601 25627
5276 1 11 . 1 1 12 12 SER CB C 12 65.418 65.418 65.809 -0.391 25627
5277 1 11 . 1 1 12 12 SER H H 12 8.782 8.782 9.049 -0.267 25627
5278 1 11 . 1 1 13 13 ARG N N 13 119.603 119.603 119.821 -0.218 25627
5279 1 11 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.596 0.280 25627
5280 1 11 . 1 1 13 13 ARG C C 13 176.720 176.720 175.957 0.763 25627
5281 1 11 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.497 -0.189 25627
5282 1 11 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.539 0.215 25627
5283 1 11 . 1 1 13 13 ARG H H 13 8.374 8.374 8.468 -0.094 25627
5284 1 11 . 1 1 14 14 ALA N N 14 127.004 127.004 127.756 -0.752 25627
5285 1 11 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.245 -0.135 25627
5286 1 11 . 1 1 14 14 ALA C C 14 176.523 176.523 177.274 -0.751 25627
5287 1 11 . 1 1 14 14 ALA CA C 14 52.542 52.542 53.154 -0.612 25627
5288 1 11 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.855 0.232 25627
5289 1 11 . 1 1 14 14 ALA H H 14 8.725 8.725 8.156 0.569 25627
5290 1 11 . 1 1 15 15 LYS N N 15 117.157 117.157 120.084 -2.927 25627
5291 1 11 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.387 -0.015 25627
5292 1 11 . 1 1 15 15 LYS C C 15 176.383 176.383 176.532 -0.149 25627
5293 1 11 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.712 -1.086 25627
5294 1 11 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.353 1.256 25627
5295 1 11 . 1 1 15 15 LYS H H 15 8.518 8.518 8.587 -0.069 25627
5296 1 11 . 1 1 16 16 LYS N N 16 116.265 116.265 117.086 -0.821 25627
5297 1 11 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.558 0.017 25627
5298 1 11 . 1 1 16 16 LYS C C 16 174.584 174.584 174.819 -0.235 25627
5299 1 11 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.659 0.035 25627
5300 1 11 . 1 1 16 16 LYS CB C 16 35.604 35.604 35.338 0.266 25627
5301 1 11 . 1 1 16 16 LYS H H 16 7.429 7.429 7.551 -0.122 25627
5302 1 11 . 1 1 17 17 TRP N N 17 123.638 123.638 122.477 1.161 25627
5303 1 11 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.690 -0.905 25627
5304 1 11 . 1 1 17 17 TRP C C 17 174.781 174.781 174.751 0.030 25627
5305 1 11 . 1 1 17 17 TRP CA C 17 61.877 61.877 57.370 4.508 25627
5306 1 11 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.268 -0.347 25627
5307 1 11 . 1 1 17 17 TRP H H 17 9.412 9.412 8.638 0.774 25627
5308 1 11 . 1 1 18 18 SER N N 18 119.926 119.926 120.426 -0.500 25627
5309 1 11 . 1 1 18 18 SER HA H 18 3.831 3.831 4.455 -0.624 25627
5310 1 11 . 1 1 18 18 SER C C 18 172.100 172.100 174.708 -2.608 25627
5311 1 11 . 1 1 18 18 SER CA C 18 56.830 56.830 56.907 -0.076 25627
5312 1 11 . 1 1 18 18 SER CB C 18 66.241 66.241 65.140 1.101 25627
5313 1 11 . 1 1 18 18 SER H H 18 6.081 6.081 8.414 -2.333 25627
5314 1 11 . 1 1 19 19 GLU N N 19 120.673 120.673 124.333 -3.660 25627
5315 1 11 . 1 1 19 19 GLU HA H 19 3.647 3.647 4.154 -0.507 25627
5316 1 11 . 1 1 19 19 GLU C C 19 177.682 177.682 178.130 -0.448 25627
5317 1 11 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.636 0.942 25627
5318 1 11 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.138 -0.515 25627
5319 1 11 . 1 1 19 19 GLU H H 19 9.355 9.355 9.022 0.333 25627
5320 1 11 . 1 1 20 20 GLU N N 20 117.979 117.979 119.560 -1.581 25627
5321 1 11 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.184 0.040 25627
5322 1 11 . 1 1 20 20 GLU C C 20 179.454 179.454 178.799 0.655 25627
5323 1 11 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.902 0.349 25627
5324 1 11 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.279 0.436 25627
5325 1 11 . 1 1 20 20 GLU H H 20 7.946 7.946 7.691 0.255 25627
5326 1 11 . 1 1 21 21 ILE N N 21 121.560 121.560 120.421 1.139 25627
5327 1 11 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.984 -0.207 25627
5328 1 11 . 1 1 21 21 ILE C C 21 176.700 176.700 178.466 -1.766 25627
5329 1 11 . 1 1 21 21 ILE CA C 21 61.978 61.978 63.060 -1.083 25627
5330 1 11 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.731 -0.637 25627
5331 1 11 . 1 1 21 21 ILE H H 21 7.122 7.122 8.006 -0.884 25627
5332 1 11 . 1 1 22 22 GLU N N 22 121.372 121.372 120.560 0.812 25627
5333 1 11 . 1 1 22 22 GLU HA H 22 3.999 3.999 4.074 -0.075 25627
5334 1 11 . 1 1 22 22 GLU C C 22 178.416 178.416 178.864 -0.448 25627
5335 1 11 . 1 1 22 22 GLU CA C 22 59.018 59.018 59.627 -0.609 25627
5336 1 11 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.206 -1.054 25627
5337 1 11 . 1 1 22 22 GLU H H 22 8.017 8.017 8.582 -0.565 25627
5338 1 11 . 1 1 23 23 ASN N N 23 114.717 114.717 117.640 -2.923 25627
5339 1 11 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.604 0.133 25627
5340 1 11 . 1 1 23 23 ASN C C 23 177.565 177.565 177.896 -0.331 25627
5341 1 11 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.316 0.048 25627
5342 1 11 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.707 0.099 25627
5343 1 11 . 1 1 23 23 ASN H H 23 7.352 7.352 7.967 -0.615 25627
5344 1 11 . 1 1 24 24 LEU N N 24 122.083 122.083 121.067 1.016 25627
5345 1 11 . 1 1 24 24 LEU HA H 24 4.403 4.403 4.051 0.352 25627
5346 1 11 . 1 1 24 24 LEU C C 24 178.487 178.487 179.108 -0.621 25627
5347 1 11 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.220 1.277 25627
5348 1 11 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.885 0.350 25627
5349 1 11 . 1 1 24 24 LEU H H 24 8.232 8.232 8.020 0.212 25627
5350 1 11 . 1 1 25 25 TYR N N 25 118.898 118.898 120.251 -1.353 25627
5351 1 11 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.158 -0.083 25627
5352 1 11 . 1 1 25 25 TYR C C 25 177.164 177.164 177.470 -0.306 25627
5353 1 11 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.297 0.244 25627
5354 1 11 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.207 -0.673 25627
5355 1 11 . 1 1 25 25 TYR H H 25 9.056 9.056 8.956 0.100 25627
5356 1 11 . 1 1 26 26 ARG N N 26 119.000 119.000 118.629 0.371 25627
5357 1 11 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.341 0.017 25627
5358 1 11 . 1 1 26 26 ARG C C 26 179.709 179.709 178.568 1.141 25627
5359 1 11 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.361 0.908 25627
5360 1 11 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.332 -0.738 25627
5361 1 11 . 1 1 26 26 ARG H H 26 7.672 7.672 7.594 0.078 25627
5362 1 11 . 1 1 27 27 PHE N N 27 119.640 119.640 119.578 0.062 25627
5363 1 11 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.031 -0.161 25627
5364 1 11 . 1 1 27 27 PHE C C 27 178.542 178.542 178.001 0.541 25627
5365 1 11 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.443 1.989 25627
5366 1 11 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.696 -0.736 25627
5367 1 11 . 1 1 27 27 PHE H H 27 8.497 8.497 8.375 0.122 25627
5368 1 11 . 1 1 28 28 GLN N N 28 120.400 120.400 118.970 1.430 25627
5369 1 11 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.214 0.511 25627
5370 1 11 . 1 1 28 28 GLN C C 28 182.258 182.258 179.349 2.909 25627
5371 1 11 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.759 0.204 25627
5372 1 11 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.585 -1.824 25627
5373 1 11 . 1 1 28 28 GLN H H 28 8.995 8.995 8.808 0.187 25627
5374 1 11 . 1 1 29 29 GLN N N 29 122.649 122.649 118.745 3.904 25627
5375 1 11 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.953 0.003 25627
5376 1 11 . 1 1 29 29 GLN C C 29 177.046 177.046 177.715 -0.669 25627
5377 1 11 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.188 0.041 25627
5378 1 11 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.062 1.149 25627
5379 1 11 . 1 1 29 29 GLN H H 29 8.728 8.728 8.103 0.625 25627
5380 1 11 . 1 1 30 30 ALA N N 30 117.672 117.672 117.741 -0.069 25627
5381 1 11 . 1 1 30 30 ALA HA H 30 4.129 4.129 4.200 -0.071 25627
5382 1 11 . 1 1 30 30 ALA C C 30 175.371 175.371 177.241 -1.870 25627
5383 1 11 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.950 -0.738 25627
5384 1 11 . 1 1 30 30 ALA CB C 30 19.196 19.196 19.341 -0.145 25627
5385 1 11 . 1 1 30 30 ALA H H 30 7.120 7.120 7.505 -0.385 25627
5386 1 11 . 1 1 31 31 GLY N N 31 103.200 103.200 103.799 -0.599 25627
5387 1 11 . 1 1 31 31 GLY C C 31 173.625 173.625 174.179 -0.554 25627
5388 1 11 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.872 0.436 25627
5389 1 11 . 1 1 31 31 GLY H H 31 7.474 7.474 7.851 -0.377 25627
5390 1 11 . 1 1 32 32 TYR N N 32 121.303 121.303 119.935 1.368 25627
5391 1 11 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.674 0.263 25627
5392 1 11 . 1 1 32 32 TYR C C 32 174.419 174.419 176.070 -1.651 25627
5393 1 11 . 1 1 32 32 TYR CA C 32 56.212 56.212 56.254 -0.042 25627
5394 1 11 . 1 1 32 32 TYR CB C 32 42.414 42.414 39.900 2.514 25627
5395 1 11 . 1 1 32 32 TYR H H 32 8.403 8.403 8.313 0.090 25627
5396 1 11 . 1 1 33 33 ARG N N 33 118.245 118.245 119.322 -1.077 25627
5397 1 11 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.926 0.025 25627
5398 1 11 . 1 1 33 33 ARG C C 33 175.618 175.618 175.205 0.413 25627
5399 1 11 . 1 1 33 33 ARG CA C 33 60.574 60.574 56.739 3.835 25627
5400 1 11 . 1 1 33 33 ARG CB C 33 31.985 31.985 29.994 1.991 25627
5401 1 11 . 1 1 33 33 ARG H H 33 9.571 9.571 8.535 1.036 25627
5402 1 11 . 1 1 34 34 ASP N N 34 105.630 105.630 115.755 -10.125 25627
5403 1 11 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.376 -0.553 25627
5404 1 11 . 1 1 34 34 ASP C C 34 174.754 174.754 175.649 -0.895 25627
5405 1 11 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.371 -0.106 25627
5406 1 11 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.888 -3.069 25627
5407 1 11 . 1 1 34 34 ASP H H 34 6.995 6.995 7.594 -0.599 25627
5408 1 11 . 1 1 35 35 GLU N N 35 118.215 118.215 119.880 -1.665 25627
5409 1 11 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.650 -0.747 25627
5410 1 11 . 1 1 35 35 GLU C C 35 177.043 177.043 178.277 -1.234 25627
5411 1 11 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.211 -0.610 25627
5412 1 11 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.154 0.959 25627
5413 1 11 . 1 1 35 35 GLU H H 35 7.818 7.818 8.356 -0.538 25627
5414 1 11 . 1 1 36 36 ILE N N 36 118.404 118.404 120.186 -1.782 25627
5415 1 11 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.619 -0.198 25627
5416 1 11 . 1 1 36 36 ILE C C 36 179.143 179.143 177.875 1.268 25627
5417 1 11 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.299 -0.839 25627
5418 1 11 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.732 -1.230 25627
5419 1 11 . 1 1 36 36 ILE H H 36 6.833 6.833 7.869 -1.036 25627
5420 1 11 . 1 1 37 37 GLU N N 37 120.573 120.573 119.860 0.713 25627
5421 1 11 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.085 -0.079 25627
5422 1 11 . 1 1 37 37 GLU C C 37 178.417 178.417 178.629 -0.212 25627
5423 1 11 . 1 1 37 37 GLU CA C 37 59.424 59.424 59.135 0.289 25627
5424 1 11 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.183 0.715 25627
5425 1 11 . 1 1 37 37 GLU H H 37 8.463 8.463 8.019 0.444 25627
5426 1 11 . 1 1 38 38 TYR N N 38 117.942 117.942 121.104 -3.162 25627
5427 1 11 . 1 1 38 38 TYR HA H 38 3.483 3.483 4.072 -0.589 25627
5428 1 11 . 1 1 38 38 TYR C C 38 176.772 176.772 177.670 -0.898 25627
5429 1 11 . 1 1 38 38 TYR CA C 38 62.767 62.767 61.529 1.238 25627
5430 1 11 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.451 1.528 25627
5431 1 11 . 1 1 38 38 TYR H H 38 7.949 7.949 7.961 -0.012 25627
5432 1 11 . 1 1 39 39 LYS N N 39 115.539 115.539 118.181 -2.642 25627
5433 1 11 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.631 0.017 25627
5434 1 11 . 1 1 39 39 LYS C C 39 179.543 179.543 178.970 0.573 25627
5435 1 11 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.738 0.909 25627
5436 1 11 . 1 1 39 39 LYS CB C 39 32.223 32.223 32.026 0.197 25627
5437 1 11 . 1 1 39 39 LYS H H 39 8.287 8.287 8.426 -0.139 25627
5438 1 11 . 1 1 40 40 GLN N N 40 118.265 118.265 119.294 -1.029 25627
5439 1 11 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.042 -0.031 25627
5440 1 11 . 1 1 40 40 GLN C C 40 178.263 178.263 177.766 0.497 25627
5441 1 11 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.717 0.036 25627
5442 1 11 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.674 -0.098 25627
5443 1 11 . 1 1 40 40 GLN H H 40 7.605 7.605 7.629 -0.024 25627
5444 1 11 . 1 1 41 41 VAL N N 41 118.627 118.627 119.493 -0.866 25627
5445 1 11 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.792 -0.030 25627
5446 1 11 . 1 1 41 41 VAL C C 41 178.092 178.092 177.673 0.419 25627
5447 1 11 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.370 0.339 25627
5448 1 11 . 1 1 41 41 VAL CB C 41 32.642 32.642 32.129 0.513 25627
5449 1 11 . 1 1 41 41 VAL H H 41 8.470 8.470 7.781 0.689 25627
5450 1 11 . 1 1 42 42 LYS N N 42 115.117 115.117 116.585 -1.468 25627
5451 1 11 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.310 -0.060 25627
5452 1 11 . 1 1 42 42 LYS C C 42 176.102 176.102 176.077 0.025 25627
5453 1 11 . 1 1 42 42 LYS CA C 42 53.901 53.901 55.270 -1.369 25627
5454 1 11 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.551 -1.386 25627
5455 1 11 . 1 1 42 42 LYS H H 42 8.263 8.263 7.602 0.661 25627
5456 1 11 . 1 1 43 43 GLN N N 43 116.108 116.108 116.280 -0.172 25627
5457 1 11 . 1 1 43 43 GLN HA H 43 3.968 3.968 4.021 -0.053 25627
5458 1 11 . 1 1 43 43 GLN C C 43 175.125 175.125 175.106 0.019 25627
5459 1 11 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.817 -0.262 25627
5460 1 11 . 1 1 43 43 GLN CB C 43 25.912 25.912 26.047 -0.134 25627
5461 1 11 . 1 1 43 43 GLN H H 43 7.717 7.717 7.945 -0.228 25627
5462 1 11 . 1 1 44 44 VAL N N 44 110.285 110.285 113.152 -2.867 25627
5463 1 11 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.456 0.102 25627
5464 1 11 . 1 1 44 44 VAL C C 44 175.431 175.431 174.346 1.085 25627
5465 1 11 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.340 -0.100 25627
5466 1 11 . 1 1 44 44 VAL CB C 44 34.732 34.732 33.419 1.313 25627
5467 1 11 . 1 1 44 44 VAL H H 44 6.817 6.817 7.810 -0.993 25627
5468 1 11 . 1 1 45 45 ALA N N 45 123.422 123.422 121.977 1.445 25627
5469 1 11 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.731 -0.376 25627
5470 1 11 . 1 1 45 45 ALA C C 45 177.543 177.543 175.936 1.607 25627
5471 1 11 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.155 0.666 25627
5472 1 11 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.091 0.721 25627
5473 1 11 . 1 1 45 45 ALA H H 45 8.571 8.571 8.327 0.244 25627
5474 1 11 . 1 1 46 46 MET N N 46 114.808 114.808 117.030 -2.222 25627
5475 1 11 . 1 1 46 46 MET HA H 46 4.724 4.724 4.836 -0.112 25627
5476 1 11 . 1 1 46 46 MET C C 46 173.698 173.698 173.720 -0.022 25627
5477 1 11 . 1 1 46 46 MET CA C 46 54.230 54.230 55.083 -0.853 25627
5478 1 11 . 1 1 46 46 MET CB C 46 34.793 34.793 34.882 -0.089 25627
5479 1 11 . 1 1 46 46 MET H H 46 7.657 7.657 7.601 0.056 25627
5480 1 11 . 1 1 47 47 VAL N N 47 120.757 120.757 121.166 -0.409 25627
5481 1 11 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.465 -0.186 25627
5482 1 11 . 1 1 47 47 VAL C C 47 174.985 174.985 174.766 0.219 25627
5483 1 11 . 1 1 47 47 VAL CA C 47 61.036 61.036 60.993 0.043 25627
5484 1 11 . 1 1 47 47 VAL CB C 47 33.826 33.826 34.505 -0.679 25627
5485 1 11 . 1 1 47 47 VAL H H 47 8.459 8.459 8.349 0.110 25627
5486 1 11 . 1 1 48 48 ASP N N 48 126.251 126.251 126.105 0.146 25627
5487 1 11 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.550 -0.077 25627
5488 1 11 . 1 1 48 48 ASP C C 48 175.819 175.819 175.504 0.315 25627
5489 1 11 . 1 1 48 48 ASP CA C 48 55.472 55.472 55.229 0.243 25627
5490 1 11 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.662 0.472 25627
5491 1 11 . 1 1 48 48 ASP H H 48 8.929 8.929 8.543 0.386 25627
5492 1 11 . 1 1 49 49 ARG N N 49 122.995 122.995 120.991 2.004 25627
5493 1 11 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.202 -0.443 25627
5494 1 11 . 1 1 49 49 ARG C C 49 176.363 176.363 175.531 0.832 25627
5495 1 11 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.663 -0.049 25627
5496 1 11 . 1 1 49 49 ARG CB C 49 34.470 34.470 35.298 -0.828 25627
5497 1 11 . 1 1 49 49 ARG H H 49 8.534 8.534 8.146 0.388 25627
5498 1 11 . 1 1 50 50 TRP N N 50 125.191 125.191 121.391 3.800 25627
5499 1 11 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.096 -0.432 25627
5500 1 11 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.469 0.126 25627
5501 1 11 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.445 -0.332 25627
5502 1 11 . 1 1 50 50 TRP H H 50 9.111 9.111 8.250 0.861 25627
5503 1 11 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.203 0.142 25627
5504 1 11 . 1 1 51 51 PRO C C 51 178.698 178.698 177.734 0.964 25627
5505 1 11 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.330 -0.756 25627
5506 1 11 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.053 0.110 25627
5507 1 11 . 1 1 52 52 GLU N N 52 116.570 116.570 117.710 -1.140 25627
5508 1 11 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.164 -0.194 25627
5509 1 11 . 1 1 52 52 GLU C C 52 178.031 178.031 177.820 0.211 25627
5510 1 11 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.874 1.884 25627
5511 1 11 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.455 0.159 25627
5512 1 11 . 1 1 52 52 GLU H H 52 9.951 9.951 9.027 0.924 25627
5513 1 11 . 1 1 53 53 THR N N 53 103.788 103.788 107.198 -3.410 25627
5514 1 11 . 1 1 53 53 THR HA H 53 4.135 4.135 4.376 -0.241 25627
5515 1 11 . 1 1 53 53 THR C C 53 175.731 175.731 175.268 0.463 25627
5516 1 11 . 1 1 53 53 THR CA C 53 60.427 60.427 62.341 -1.914 25627
5517 1 11 . 1 1 53 53 THR CB C 53 70.762 70.762 72.049 -1.287 25627
5518 1 11 . 1 1 53 53 THR H H 53 7.120 7.120 7.706 -0.586 25627
5519 1 11 . 1 1 54 54 GLY N N 54 109.195 109.195 111.959 -2.764 25627
5520 1 11 . 1 1 54 54 GLY C C 54 174.593 174.593 173.352 1.241 25627
5521 1 11 . 1 1 54 54 GLY CA C 54 45.748 45.748 44.826 0.922 25627
5522 1 11 . 1 1 54 54 GLY H H 54 8.227 8.227 8.099 0.128 25627
5523 1 11 . 1 1 55 55 TYR N N 55 119.038 119.038 118.898 0.140 25627
5524 1 11 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.756 0.949 25627
5525 1 11 . 1 1 55 55 TYR C C 55 177.556 177.556 175.842 1.714 25627
5526 1 11 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.148 -3.418 25627
5527 1 11 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.707 -0.966 25627
5528 1 11 . 1 1 55 55 TYR H H 55 7.353 7.353 7.353 -0.000 25627
5529 1 11 . 1 1 56 56 VAL N N 56 120.089 120.089 120.309 -0.220 25627
5530 1 11 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.014 -0.401 25627
5531 1 11 . 1 1 56 56 VAL C C 56 174.564 174.564 176.967 -2.403 25627
5532 1 11 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.153 0.614 25627
5533 1 11 . 1 1 56 56 VAL CB C 56 32.767 32.767 30.623 2.143 25627
5534 1 11 . 1 1 56 56 VAL H H 56 8.252 8.252 8.791 -0.539 25627
5535 1 11 . 1 1 57 57 LYS N N 57 127.233 127.233 128.940 -1.707 25627
5536 1 11 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.708 -0.260 25627
5537 1 11 . 1 1 57 57 LYS C C 57 175.256 175.256 176.149 -0.893 25627
5538 1 11 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.495 -1.512 25627
5539 1 11 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.623 1.627 25627
5540 1 11 . 1 1 57 57 LYS H H 57 9.005 9.005 8.786 0.219 25627
5541 1 11 . 1 1 58 58 LYS N N 58 115.918 115.918 114.219 1.699 25627
5542 1 11 . 1 1 58 58 LYS HA H 58 5.370 5.370 4.974 0.396 25627
5543 1 11 . 1 1 58 58 LYS C C 58 174.030 174.030 174.515 -0.485 25627
5544 1 11 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.114 -0.260 25627
5545 1 11 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.321 -0.498 25627
5546 1 11 . 1 1 58 58 LYS H H 58 6.921 6.921 7.495 -0.574 25627
5547 1 11 . 1 1 59 59 LEU N N 59 121.666 121.666 121.625 0.041 25627
5548 1 11 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.360 0.289 25627
5549 1 11 . 1 1 59 59 LEU C C 59 174.451 174.451 174.971 -0.520 25627
5550 1 11 . 1 1 59 59 LEU CA C 59 53.472 53.472 53.816 -0.344 25627
5551 1 11 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.002 0.937 25627
5552 1 11 . 1 1 59 59 LEU H H 59 8.793 8.793 8.405 0.388 25627
5553 1 11 . 1 1 60 60 GLN N N 60 121.710 121.710 123.683 -1.973 25627
5554 1 11 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.062 0.374 25627
5555 1 11 . 1 1 60 60 GLN C C 60 176.636 176.636 175.333 1.303 25627
5556 1 11 . 1 1 60 60 GLN CA C 60 54.917 54.917 56.308 -1.391 25627
5557 1 11 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.359 0.977 25627
5558 1 11 . 1 1 60 60 GLN H H 60 8.879 8.879 8.511 0.368 25627
5559 1 11 . 1 1 61 61 ARG N N 61 126.172 126.172 124.305 1.867 25627
5560 1 11 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.680 -0.137 25627
5561 1 11 . 1 1 61 61 ARG C C 61 178.315 178.315 178.048 0.267 25627
5562 1 11 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.388 2.185 25627
5563 1 11 . 1 1 61 61 ARG CB C 61 31.901 31.901 31.107 0.794 25627
5564 1 11 . 1 1 61 61 ARG H H 61 9.387 9.387 8.571 0.816 25627
5565 1 11 . 1 1 62 62 ARG N N 62 123.754 123.754 120.122 3.632 25627
5566 1 11 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.205 -0.337 25627
5567 1 11 . 1 1 62 62 ARG C C 62 176.508 176.508 176.480 0.028 25627
5568 1 11 . 1 1 62 62 ARG CA C 62 59.863 59.863 57.876 1.987 25627
5569 1 11 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.658 -0.194 25627
5570 1 11 . 1 1 62 62 ARG H H 62 9.385 9.385 8.453 0.932 25627
5571 1 11 . 1 1 63 63 ASP N N 63 116.155 116.155 117.281 -1.126 25627
5572 1 11 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.706 -0.275 25627
5573 1 11 . 1 1 63 63 ASP C C 63 176.163 176.163 175.646 0.517 25627
5574 1 11 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.824 -0.638 25627
5575 1 11 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.247 -0.491 25627
5576 1 11 . 1 1 63 63 ASP H H 63 7.505 7.505 8.145 -0.639 25627
5577 1 11 . 1 1 64 64 ASN N N 64 110.183 110.183 112.461 -2.278 25627
5578 1 11 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.274 -0.187 25627
5579 1 11 . 1 1 64 64 ASN C C 64 175.432 175.432 173.538 1.894 25627
5580 1 11 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.561 0.869 25627
5581 1 11 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.494 -0.460 25627
5582 1 11 . 1 1 64 64 ASN H H 64 7.791 7.791 8.275 -0.484 25627
5583 1 11 . 1 1 65 65 THR N N 65 112.736 112.736 110.692 2.044 25627
5584 1 11 . 1 1 65 65 THR HA H 65 4.414 4.414 4.419 -0.005 25627
5585 1 11 . 1 1 65 65 THR C C 65 173.653 173.653 174.017 -0.364 25627
5586 1 11 . 1 1 65 65 THR CA C 65 62.342 62.342 61.148 1.194 25627
5587 1 11 . 1 1 65 65 THR CB C 65 70.946 70.946 69.542 1.404 25627
5588 1 11 . 1 1 65 65 THR H H 65 7.921 7.921 7.443 0.478 25627
5589 1 11 . 1 1 66 66 PHE N N 66 118.850 118.850 124.395 -5.545 25627
5590 1 11 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.425 0.719 25627
5591 1 11 . 1 1 66 66 PHE C C 66 174.762 174.762 175.194 -0.432 25627
5592 1 11 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.769 -0.290 25627
5593 1 11 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.848 2.415 25627
5594 1 11 . 1 1 66 66 PHE H H 66 8.926 8.926 8.871 0.055 25627
5595 1 11 . 1 1 67 67 PHE N N 67 124.259 124.259 125.789 -1.530 25627
5596 1 11 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.778 -0.114 25627
5597 1 11 . 1 1 67 67 PHE C C 67 173.553 173.553 173.254 0.299 25627
5598 1 11 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.602 -0.698 25627
5599 1 11 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.690 -0.353 25627
5600 1 11 . 1 1 67 67 PHE H H 67 9.142 9.142 8.359 0.783 25627
5601 1 11 . 1 1 68 68 TYR N N 68 122.881 122.881 125.143 -2.262 25627
5602 1 11 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.527 0.344 25627
5603 1 11 . 1 1 68 68 TYR C C 68 174.835 174.835 175.472 -0.637 25627
5604 1 11 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.286 -0.893 25627
5605 1 11 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.650 1.539 25627
5606 1 11 . 1 1 68 68 TYR H H 68 8.064 8.064 8.193 -0.129 25627
5607 1 11 . 1 1 69 69 TYR N N 69 118.675 118.675 122.423 -3.748 25627
5608 1 11 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.733 0.292 25627
5609 1 11 . 1 1 69 69 TYR C C 69 177.181 177.181 175.076 2.105 25627
5610 1 11 . 1 1 69 69 TYR CA C 69 56.912 56.912 56.488 0.424 25627
5611 1 11 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.303 2.120 25627
5612 1 11 . 1 1 69 69 TYR H H 69 8.384 8.384 8.753 -0.369 25627
5613 1 11 . 1 1 70 70 ASN N N 70 122.917 122.917 118.309 4.608 25627
5614 1 11 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.792 0.003 25627
5615 1 11 . 1 1 70 70 ASN C C 70 175.433 175.433 176.126 -0.693 25627
5616 1 11 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.735 0.624 25627
5617 1 11 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.904 -0.527 25627
5618 1 11 . 1 1 70 70 ASN H H 70 9.832 9.832 8.649 1.183 25627
5619 1 11 . 1 1 71 71 LYS N N 71 123.116 123.116 119.744 3.372 25627
5620 1 11 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.223 -1.984 25627
5621 1 11 . 1 1 71 71 LYS C C 71 175.495 175.495 176.865 -1.370 25627
5622 1 11 . 1 1 71 71 LYS CA C 71 58.421 58.421 57.690 0.732 25627
5623 1 11 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.081 -0.004 25627
5624 1 11 . 1 1 71 71 LYS H H 71 8.047 8.047 8.437 -0.390 25627
5625 1 11 . 1 1 72 72 GLU N N 72 113.242 113.242 119.804 -6.562 25627
5626 1 11 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.252 0.126 25627
5627 1 11 . 1 1 72 72 GLU C C 72 175.018 175.018 175.808 -0.790 25627
5628 1 11 . 1 1 72 72 GLU CA C 72 54.807 54.807 56.180 -1.373 25627
5629 1 11 . 1 1 72 72 GLU CB C 72 30.432 30.432 30.489 -0.057 25627
5630 1 11 . 1 1 72 72 GLU H H 72 7.335 7.335 7.686 -0.351 25627
5631 1 11 . 1 1 73 73 ARG N N 73 118.120 118.120 123.426 -5.306 25627
5632 1 11 . 1 1 73 73 ARG HA H 73 3.354 3.354 4.479 -1.125 25627
5633 1 11 . 1 1 73 73 ARG C C 73 175.859 175.859 175.940 -0.081 25627
5634 1 11 . 1 1 73 73 ARG CA C 73 57.674 57.674 55.792 1.882 25627
5635 1 11 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.160 0.974 25627
5636 1 11 . 1 1 73 73 ARG H H 73 8.174 8.174 8.866 -0.692 25627
5637 1 11 . 1 1 74 74 GLU N N 74 127.360 127.360 123.821 3.539 25627
5638 1 11 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.646 -0.153 25627
5639 1 11 . 1 1 74 74 GLU C C 74 176.415 176.415 175.063 1.352 25627
5640 1 11 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.555 1.506 25627
5641 1 11 . 1 1 74 74 GLU CB C 74 33.462 33.462 30.681 2.781 25627
5642 1 11 . 1 1 74 74 GLU H H 74 10.788 10.788 8.803 1.985 25627
5643 1 11 . 1 1 75 75 CYS N N 75 123.441 123.441 118.746 4.695 25627
5644 1 11 . 1 1 75 75 CYS HA H 75 3.476 3.476 3.868 -0.392 25627
5645 1 11 . 1 1 75 75 CYS C C 75 174.198 174.198 173.094 1.104 25627
5646 1 11 . 1 1 75 75 CYS CA C 75 59.022 59.022 58.914 0.108 25627
5647 1 11 . 1 1 75 75 CYS CB C 75 26.222 26.222 27.994 -1.772 25627
5648 1 11 . 1 1 75 75 CYS H H 75 9.198 9.198 8.125 1.073 25627
5649 1 11 . 1 1 76 76 GLU N N 76 131.177 131.177 124.695 6.482 25627
5650 1 11 . 1 1 76 76 GLU HA H 76 3.995 3.995 3.968 0.027 25627
5651 1 11 . 1 1 76 76 GLU C C 76 177.122 177.122 175.986 1.136 25627
5652 1 11 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.740 2.076 25627
5653 1 11 . 1 1 76 76 GLU CB C 76 30.668 30.668 31.788 -1.119 25627
5654 1 11 . 1 1 76 76 GLU H H 76 8.452 8.452 7.724 0.728 25627
5655 1 11 . 1 1 77 77 ASP N N 77 123.154 123.154 120.740 2.414 25627
5656 1 11 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.088 0.248 25627
5657 1 11 . 1 1 77 77 ASP C C 77 179.545 179.545 176.757 2.788 25627
5658 1 11 . 1 1 77 77 ASP CA C 77 58.610 58.610 56.752 1.858 25627
5659 1 11 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.197 -0.248 25627
5660 1 11 . 1 1 77 77 ASP H H 77 9.067 9.067 8.758 0.309 25627
5661 1 11 . 1 1 78 78 LYS N N 78 116.055 116.055 117.925 -1.870 25627
5662 1 11 . 1 1 78 78 LYS HA H 78 4.298 4.298 3.868 0.430 25627
5663 1 11 . 1 1 78 78 LYS C C 78 176.146 176.146 178.538 -2.392 25627
5664 1 11 . 1 1 78 78 LYS CA C 78 58.484 58.484 58.557 -0.073 25627
5665 1 11 . 1 1 78 78 LYS CB C 78 31.840 31.840 31.796 0.044 25627
5666 1 11 . 1 1 78 78 LYS H H 78 8.664 8.664 7.839 0.825 25627
5667 1 11 . 1 1 79 79 GLU N N 79 117.481 117.481 119.328 -1.847 25627
5668 1 11 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.048 0.399 25627
5669 1 11 . 1 1 79 79 GLU C C 79 177.666 177.666 178.619 -0.953 25627
5670 1 11 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.769 -3.164 25627
5671 1 11 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.289 1.699 25627
5672 1 11 . 1 1 79 79 GLU H H 79 7.735 7.735 8.125 -0.390 25627
5673 1 11 . 1 1 80 80 VAL N N 80 121.192 121.192 118.324 2.868 25627
5674 1 11 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.716 -0.473 25627
5675 1 11 . 1 1 80 80 VAL C C 80 176.731 176.731 177.225 -0.494 25627
5676 1 11 . 1 1 80 80 VAL CA C 80 66.875 66.875 65.825 1.050 25627
5677 1 11 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.404 0.769 25627
5678 1 11 . 1 1 80 80 VAL H H 80 7.274 7.274 7.228 0.046 25627
5679 1 11 . 1 1 81 81 HIS N N 81 112.861 112.861 114.242 -1.381 25627
5680 1 11 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.361 0.287 25627
5681 1 11 . 1 1 81 81 HIS C C 81 175.330 175.330 176.586 -1.256 25627
5682 1 11 . 1 1 81 81 HIS CA C 81 57.747 57.747 57.602 0.145 25627
5683 1 11 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.182 -1.002 25627
5684 1 11 . 1 1 81 81 HIS H H 81 8.157 8.157 7.627 0.530 25627
5685 1 11 . 1 1 82 82 LYS N N 82 117.850 117.850 117.729 0.121 25627
5686 1 11 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.297 -0.286 25627
5687 1 11 . 1 1 82 82 LYS C C 82 177.430 177.430 177.321 0.109 25627
5688 1 11 . 1 1 82 82 LYS CA C 82 56.591 56.591 56.862 -0.271 25627
5689 1 11 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.785 0.298 25627
5690 1 11 . 1 1 82 82 LYS H H 82 7.264 7.264 7.554 -0.290 25627
5691 1 11 . 1 1 83 83 VAL N N 83 123.619 123.619 122.926 0.693 25627
5692 1 11 . 1 1 83 83 VAL HA H 83 3.880 3.880 3.993 -0.113 25627
5693 1 11 . 1 1 83 83 VAL C C 83 175.239 175.239 175.175 0.064 25627
5694 1 11 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.905 0.907 25627
5695 1 11 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.045 -0.497 25627
5696 1 11 . 1 1 83 83 VAL H H 83 8.126 8.126 8.067 0.059 25627
5697 1 11 . 1 1 84 84 LYS N N 84 128.994 128.994 127.646 1.348 25627
5698 1 11 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.785 -0.332 25627
5699 1 11 . 1 1 84 84 LYS C C 84 174.399 174.399 174.980 -0.581 25627
5700 1 11 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.726 1.091 25627
5701 1 11 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.593 -0.487 25627
5702 1 11 . 1 1 84 84 LYS H H 84 9.031 9.031 8.066 0.965 25627
5703 1 11 . 1 1 85 85 VAL N N 85 120.723 120.723 124.086 -3.363 25627
5704 1 11 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.515 -0.485 25627
5705 1 11 . 1 1 85 85 VAL C C 85 175.482 175.482 175.281 0.201 25627
5706 1 11 . 1 1 85 85 VAL CA C 85 61.642 61.642 60.706 0.936 25627
5707 1 11 . 1 1 85 85 VAL CB C 85 32.488 32.488 34.302 -1.814 25627
5708 1 11 . 1 1 85 85 VAL H H 85 8.299 8.299 8.632 -0.333 25627
5709 1 11 . 1 1 86 86 TYR N N 86 126.214 126.214 127.689 -1.475 25627
5710 1 11 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.778 -0.052 25627
5711 1 11 . 1 1 86 86 TYR C C 86 175.214 175.214 174.376 0.838 25627
5712 1 11 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.537 3.003 25627
5713 1 11 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.385 1.667 25627
5714 1 11 . 1 1 86 86 TYR H H 86 8.077 8.077 8.854 -0.777 25627
5715 1 11 . 1 1 87 87 VAL N N 87 123.680 123.680 123.196 0.484 25627
5716 1 11 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.169 0.027 25627
5717 1 11 . 1 1 87 87 VAL C C 87 174.322 174.322 173.980 0.342 25627
5718 1 11 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.350 2.551 25627
5719 1 11 . 1 1 87 87 VAL CB C 87 33.779 33.779 35.806 -2.027 25627
5720 1 11 . 1 1 87 87 VAL H H 87 8.133 8.133 8.428 -0.295 25627
5721 1 12 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.812 -0.682 25627
5722 1 12 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 55.272 -0.423 25627
5723 1 12 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 30.723 0.950 25627
5724 1 12 . 1 1 0 0 MET N N 0 120.413 120.413 121.637 -1.224 25627
5725 1 12 . 1 1 0 0 MET HA H 0 4.350 4.350 5.044 -0.694 25627
5726 1 12 . 1 1 0 0 MET C C 0 175.829 175.829 175.101 0.728 25627
5727 1 12 . 1 1 0 0 MET CA C 0 55.134 55.134 54.392 0.742 25627
5728 1 12 . 1 1 0 0 MET CB C 0 32.391 32.391 35.740 -3.349 25627
5729 1 12 . 1 1 0 0 MET H H 0 8.332 8.332 9.000 -0.668 25627
5730 1 12 . 1 1 1 1 MET N N 1 121.120 121.120 119.929 1.191 25627
5731 1 12 . 1 1 1 1 MET HA H 1 4.443 4.443 4.841 -0.398 25627
5732 1 12 . 1 1 1 1 MET C C 1 175.772 175.772 174.524 1.248 25627
5733 1 12 . 1 1 1 1 MET CA C 1 55.446 55.446 54.634 0.812 25627
5734 1 12 . 1 1 1 1 MET CB C 1 32.774 32.774 34.192 -1.418 25627
5735 1 12 . 1 1 1 1 MET H H 1 8.287 8.287 8.303 -0.016 25627
5736 1 12 . 1 1 2 2 ALA N N 2 125.673 125.673 123.866 1.807 25627
5737 1 12 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.512 -0.145 25627
5738 1 12 . 1 1 2 2 ALA C C 2 177.821 177.821 177.661 0.160 25627
5739 1 12 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.351 0.217 25627
5740 1 12 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.195 0.042 25627
5741 1 12 . 1 1 2 2 ALA H H 2 8.373 8.373 8.348 0.025 25627
5742 1 12 . 1 1 3 3 THR N N 3 113.038 113.038 112.964 0.074 25627
5743 1 12 . 1 1 3 3 THR HA H 3 4.354 4.354 4.352 0.002 25627
5744 1 12 . 1 1 3 3 THR C C 3 174.577 174.577 175.082 -0.505 25627
5745 1 12 . 1 1 3 3 THR CA C 3 61.679 61.679 61.500 0.179 25627
5746 1 12 . 1 1 3 3 THR CB C 3 69.864 69.864 69.639 0.225 25627
5747 1 12 . 1 1 3 3 THR H H 3 8.099 8.099 7.734 0.365 25627
5748 1 12 . 1 1 4 4 SER N N 4 117.235 117.235 114.247 2.988 25627
5749 1 12 . 1 1 4 4 SER HA H 4 4.440 4.440 4.351 0.089 25627
5750 1 12 . 1 1 4 4 SER C C 4 173.887 173.887 173.961 -0.074 25627
5751 1 12 . 1 1 4 4 SER CA C 4 58.314 58.314 59.389 -1.075 25627
5752 1 12 . 1 1 4 4 SER CB C 4 63.951 63.951 63.334 0.617 25627
5753 1 12 . 1 1 4 4 SER H H 4 8.238 8.238 8.330 -0.092 25627
5754 1 12 . 1 1 5 5 ASP N N 5 122.543 122.543 122.010 0.533 25627
5755 1 12 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.703 -0.120 25627
5756 1 12 . 1 1 5 5 ASP C C 5 175.690 175.690 175.075 0.615 25627
5757 1 12 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.728 0.418 25627
5758 1 12 . 1 1 5 5 ASP CB C 5 41.166 41.166 39.921 1.245 25627
5759 1 12 . 1 1 5 5 ASP H H 5 8.321 8.321 8.054 0.267 25627
5760 1 12 . 1 1 6 6 VAL N N 6 121.235 121.235 123.571 -2.336 25627
5761 1 12 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.271 -0.173 25627
5762 1 12 . 1 1 6 6 VAL C C 6 175.211 175.211 175.910 -0.699 25627
5763 1 12 . 1 1 6 6 VAL CA C 6 62.322 62.322 60.825 1.497 25627
5764 1 12 . 1 1 6 6 VAL CB C 6 32.581 32.581 33.506 -0.925 25627
5765 1 12 . 1 1 6 6 VAL H H 6 7.942 7.942 7.765 0.177 25627
5766 1 12 . 1 1 7 7 LYS N N 7 125.356 125.356 129.254 -3.898 25627
5767 1 12 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.100 -0.789 25627
5768 1 12 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.758 1.736 25627
5769 1 12 . 1 1 7 7 LYS H H 7 8.383 8.383 8.549 -0.166 25627
5770 1 12 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.682 -0.723 25627
5771 1 12 . 1 1 8 8 PRO C C 8 176.346 176.346 176.294 0.052 25627
5772 1 12 . 1 1 8 8 PRO CA C 8 62.993 62.993 62.999 -0.006 25627
5773 1 12 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.542 -0.540 25627
5774 1 12 . 1 1 9 9 LYS N N 9 122.609 122.609 120.428 2.181 25627
5775 1 12 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.513 -0.226 25627
5776 1 12 . 1 1 9 9 LYS C C 9 177.164 177.164 176.635 0.529 25627
5777 1 12 . 1 1 9 9 LYS CA C 9 57.222 57.222 56.697 0.525 25627
5778 1 12 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.522 0.440 25627
5779 1 12 . 1 1 9 9 LYS H H 9 9.393 9.393 8.496 0.897 25627
5780 1 12 . 1 1 10 10 SER N N 10 111.655 111.655 113.568 -1.913 25627
5781 1 12 . 1 1 10 10 SER HA H 10 4.563 4.563 4.724 -0.161 25627
5782 1 12 . 1 1 10 10 SER C C 10 171.697 171.697 172.300 -0.603 25627
5783 1 12 . 1 1 10 10 SER CA C 10 57.614 57.614 57.964 -0.350 25627
5784 1 12 . 1 1 10 10 SER CB C 10 64.687 64.687 66.190 -1.503 25627
5785 1 12 . 1 1 10 10 SER H H 10 7.846 7.846 7.780 0.066 25627
5786 1 12 . 1 1 11 11 ILE N N 11 121.054 121.054 121.055 -0.001 25627
5787 1 12 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.793 -0.262 25627
5788 1 12 . 1 1 11 11 ILE C C 11 175.460 175.460 174.666 0.794 25627
5789 1 12 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.879 -0.085 25627
5790 1 12 . 1 1 11 11 ILE CB C 11 41.105 41.105 42.050 -0.945 25627
5791 1 12 . 1 1 11 11 ILE H H 11 8.128 8.128 8.414 -0.286 25627
5792 1 12 . 1 1 12 12 SER N N 12 122.340 122.340 119.272 3.068 25627
5793 1 12 . 1 1 12 12 SER HA H 12 4.757 4.757 4.816 -0.059 25627
5794 1 12 . 1 1 12 12 SER C C 12 172.771 172.771 172.899 -0.128 25627
5795 1 12 . 1 1 12 12 SER CA C 12 56.498 56.498 56.137 0.361 25627
5796 1 12 . 1 1 12 12 SER CB C 12 65.418 65.418 65.145 0.273 25627
5797 1 12 . 1 1 12 12 SER H H 12 8.782 8.782 9.162 -0.380 25627
5798 1 12 . 1 1 13 13 ARG N N 13 119.603 119.603 120.560 -0.957 25627
5799 1 12 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.525 0.351 25627
5800 1 12 . 1 1 13 13 ARG C C 13 176.720 176.720 175.747 0.973 25627
5801 1 12 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.608 -0.300 25627
5802 1 12 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.340 0.414 25627
5803 1 12 . 1 1 13 13 ARG H H 13 8.374 8.374 8.530 -0.156 25627
5804 1 12 . 1 1 14 14 ALA N N 14 127.004 127.004 127.443 -0.439 25627
5805 1 12 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.303 -0.193 25627
5806 1 12 . 1 1 14 14 ALA C C 14 176.523 176.523 177.048 -0.525 25627
5807 1 12 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.309 0.233 25627
5808 1 12 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.727 0.360 25627
5809 1 12 . 1 1 14 14 ALA H H 14 8.725 8.725 8.577 0.148 25627
5810 1 12 . 1 1 15 15 LYS N N 15 117.157 117.157 119.138 -1.981 25627
5811 1 12 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.561 -0.189 25627
5812 1 12 . 1 1 15 15 LYS C C 15 176.383 176.383 176.036 0.347 25627
5813 1 12 . 1 1 15 15 LYS CA C 15 56.626 56.626 55.356 1.270 25627
5814 1 12 . 1 1 15 15 LYS CB C 15 34.610 34.610 31.993 2.617 25627
5815 1 12 . 1 1 15 15 LYS H H 15 8.518 8.518 8.592 -0.074 25627
5816 1 12 . 1 1 16 16 LYS N N 16 116.265 116.265 118.757 -2.492 25627
5817 1 12 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.453 0.122 25627
5818 1 12 . 1 1 16 16 LYS C C 16 174.584 174.584 174.247 0.337 25627
5819 1 12 . 1 1 16 16 LYS CA C 16 54.694 54.694 55.399 -0.705 25627
5820 1 12 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.273 1.331 25627
5821 1 12 . 1 1 16 16 LYS H H 16 7.429 7.429 7.324 0.105 25627
5822 1 12 . 1 1 17 17 TRP N N 17 123.638 123.638 123.100 0.538 25627
5823 1 12 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.732 -0.947 25627
5824 1 12 . 1 1 17 17 TRP C C 17 174.781 174.781 174.997 -0.216 25627
5825 1 12 . 1 1 17 17 TRP CA C 17 61.877 61.877 57.373 4.504 25627
5826 1 12 . 1 1 17 17 TRP CB C 17 28.921 28.921 30.149 -1.228 25627
5827 1 12 . 1 1 17 17 TRP H H 17 9.412 9.412 8.665 0.747 25627
5828 1 12 . 1 1 18 18 SER N N 18 119.926 119.926 120.210 -0.284 25627
5829 1 12 . 1 1 18 18 SER HA H 18 3.831 3.831 4.089 -0.258 25627
5830 1 12 . 1 1 18 18 SER C C 18 172.100 172.100 174.565 -2.465 25627
5831 1 12 . 1 1 18 18 SER CA C 18 56.830 56.830 55.910 0.920 25627
5832 1 12 . 1 1 18 18 SER CB C 18 66.241 66.241 66.674 -0.433 25627
5833 1 12 . 1 1 18 18 SER H H 18 6.081 6.081 7.761 -1.680 25627
5834 1 12 . 1 1 19 19 GLU N N 19 120.673 120.673 122.113 -1.440 25627
5835 1 12 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.942 -0.295 25627
5836 1 12 . 1 1 19 19 GLU C C 19 177.682 177.682 177.817 -0.135 25627
5837 1 12 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.474 1.105 25627
5838 1 12 . 1 1 19 19 GLU CB C 19 28.623 28.623 28.889 -0.266 25627
5839 1 12 . 1 1 19 19 GLU H H 19 9.355 9.355 8.707 0.648 25627
5840 1 12 . 1 1 20 20 GLU N N 20 117.979 117.979 118.765 -0.786 25627
5841 1 12 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.088 0.136 25627
5842 1 12 . 1 1 20 20 GLU C C 20 179.454 179.454 178.516 0.938 25627
5843 1 12 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.919 0.332 25627
5844 1 12 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.244 0.471 25627
5845 1 12 . 1 1 20 20 GLU H H 20 7.946 7.946 7.601 0.345 25627
5846 1 12 . 1 1 21 21 ILE N N 21 121.560 121.560 120.104 1.456 25627
5847 1 12 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.897 -0.120 25627
5848 1 12 . 1 1 21 21 ILE C C 21 176.700 176.700 178.201 -1.501 25627
5849 1 12 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.678 -0.701 25627
5850 1 12 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.653 -0.559 25627
5851 1 12 . 1 1 21 21 ILE H H 21 7.122 7.122 8.246 -1.124 25627
5852 1 12 . 1 1 22 22 GLU N N 22 121.372 121.372 120.267 1.105 25627
5853 1 12 . 1 1 22 22 GLU HA H 22 3.999 3.999 4.016 -0.017 25627
5854 1 12 . 1 1 22 22 GLU C C 22 178.416 178.416 178.728 -0.312 25627
5855 1 12 . 1 1 22 22 GLU CA C 22 59.018 59.018 59.795 -0.777 25627
5856 1 12 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.227 -1.075 25627
5857 1 12 . 1 1 22 22 GLU H H 22 8.017 8.017 8.086 -0.069 25627
5858 1 12 . 1 1 23 23 ASN N N 23 114.717 114.717 117.724 -3.007 25627
5859 1 12 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.512 0.225 25627
5860 1 12 . 1 1 23 23 ASN C C 23 177.565 177.565 177.760 -0.195 25627
5861 1 12 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.354 0.010 25627
5862 1 12 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.440 0.366 25627
5863 1 12 . 1 1 23 23 ASN H H 23 7.352 7.352 7.836 -0.484 25627
5864 1 12 . 1 1 24 24 LEU N N 24 122.083 122.083 120.689 1.394 25627
5865 1 12 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.910 0.493 25627
5866 1 12 . 1 1 24 24 LEU C C 24 178.487 178.487 179.102 -0.615 25627
5867 1 12 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.066 1.431 25627
5868 1 12 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.831 0.404 25627
5869 1 12 . 1 1 24 24 LEU H H 24 8.232 8.232 7.657 0.575 25627
5870 1 12 . 1 1 25 25 TYR N N 25 118.898 118.898 120.456 -1.558 25627
5871 1 12 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.135 -0.060 25627
5872 1 12 . 1 1 25 25 TYR C C 25 177.164 177.164 177.569 -0.405 25627
5873 1 12 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.260 0.281 25627
5874 1 12 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.264 -0.730 25627
5875 1 12 . 1 1 25 25 TYR H H 25 9.056 9.056 8.770 0.286 25627
5876 1 12 . 1 1 26 26 ARG N N 26 119.000 119.000 118.831 0.169 25627
5877 1 12 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.577 -0.219 25627
5878 1 12 . 1 1 26 26 ARG C C 26 179.709 179.709 178.809 0.900 25627
5879 1 12 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.356 0.913 25627
5880 1 12 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.517 -0.923 25627
5881 1 12 . 1 1 26 26 ARG H H 26 7.672 7.672 8.333 -0.661 25627
5882 1 12 . 1 1 27 27 PHE N N 27 119.640 119.640 120.197 -0.557 25627
5883 1 12 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.073 -0.203 25627
5884 1 12 . 1 1 27 27 PHE C C 27 178.542 178.542 177.830 0.712 25627
5885 1 12 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.190 2.242 25627
5886 1 12 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.673 -0.713 25627
5887 1 12 . 1 1 27 27 PHE H H 27 8.497 8.497 8.844 -0.347 25627
5888 1 12 . 1 1 28 28 GLN N N 28 120.400 120.400 118.587 1.813 25627
5889 1 12 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.008 0.717 25627
5890 1 12 . 1 1 28 28 GLN C C 28 182.258 182.258 178.651 3.607 25627
5891 1 12 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.691 0.272 25627
5892 1 12 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.610 -1.849 25627
5893 1 12 . 1 1 28 28 GLN H H 28 8.995 8.995 8.642 0.353 25627
5894 1 12 . 1 1 29 29 GLN N N 29 122.649 122.649 117.796 4.853 25627
5895 1 12 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.873 0.083 25627
5896 1 12 . 1 1 29 29 GLN C C 29 177.046 177.046 177.743 -0.697 25627
5897 1 12 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.033 0.196 25627
5898 1 12 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.120 1.091 25627
5899 1 12 . 1 1 29 29 GLN H H 29 8.728 8.728 7.933 0.795 25627
5900 1 12 . 1 1 30 30 ALA N N 30 117.672 117.672 118.095 -0.423 25627
5901 1 12 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.841 0.288 25627
5902 1 12 . 1 1 30 30 ALA C C 30 175.371 175.371 176.594 -1.223 25627
5903 1 12 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.881 -0.669 25627
5904 1 12 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.770 0.426 25627
5905 1 12 . 1 1 30 30 ALA H H 30 7.120 7.120 7.474 -0.354 25627
5906 1 12 . 1 1 31 31 GLY N N 31 103.200 103.200 103.169 0.031 25627
5907 1 12 . 1 1 31 31 GLY C C 31 173.625 173.625 174.511 -0.886 25627
5908 1 12 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.850 0.458 25627
5909 1 12 . 1 1 31 31 GLY H H 31 7.474 7.474 7.088 0.386 25627
5910 1 12 . 1 1 32 32 TYR N N 32 121.303 121.303 120.168 1.135 25627
5911 1 12 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.686 0.251 25627
5912 1 12 . 1 1 32 32 TYR C C 32 174.419 174.419 176.146 -1.727 25627
5913 1 12 . 1 1 32 32 TYR CA C 32 56.212 56.212 54.812 1.400 25627
5914 1 12 . 1 1 32 32 TYR CB C 32 42.414 42.414 39.360 3.054 25627
5915 1 12 . 1 1 32 32 TYR H H 32 8.403 8.403 8.005 0.398 25627
5916 1 12 . 1 1 33 33 ARG N N 33 118.245 118.245 119.474 -1.229 25627
5917 1 12 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.966 -0.015 25627
5918 1 12 . 1 1 33 33 ARG C C 33 175.618 175.618 175.489 0.129 25627
5919 1 12 . 1 1 33 33 ARG CA C 33 60.574 60.574 56.942 3.632 25627
5920 1 12 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.699 1.286 25627
5921 1 12 . 1 1 33 33 ARG H H 33 9.571 9.571 8.696 0.875 25627
5922 1 12 . 1 1 34 34 ASP N N 34 105.630 105.630 114.787 -9.157 25627
5923 1 12 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.157 -0.334 25627
5924 1 12 . 1 1 34 34 ASP C C 34 174.754 174.754 175.616 -0.862 25627
5925 1 12 . 1 1 34 34 ASP CA C 34 52.265 52.265 53.181 -0.916 25627
5926 1 12 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.426 -2.607 25627
5927 1 12 . 1 1 34 34 ASP H H 34 6.995 6.995 7.762 -0.767 25627
5928 1 12 . 1 1 35 35 GLU N N 35 118.215 118.215 118.843 -0.628 25627
5929 1 12 . 1 1 35 35 GLU HA H 35 2.903 2.903 4.246 -1.343 25627
5930 1 12 . 1 1 35 35 GLU C C 35 177.043 177.043 178.521 -1.478 25627
5931 1 12 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.759 -1.158 25627
5932 1 12 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.653 0.460 25627
5933 1 12 . 1 1 35 35 GLU H H 35 7.818 7.818 8.288 -0.470 25627
5934 1 12 . 1 1 36 36 ILE N N 36 118.404 118.404 119.442 -1.038 25627
5935 1 12 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.635 -0.214 25627
5936 1 12 . 1 1 36 36 ILE C C 36 179.143 179.143 177.891 1.252 25627
5937 1 12 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.498 -1.038 25627
5938 1 12 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.860 -1.358 25627
5939 1 12 . 1 1 36 36 ILE H H 36 6.833 6.833 7.501 -0.668 25627
5940 1 12 . 1 1 37 37 GLU N N 37 120.573 120.573 119.933 0.640 25627
5941 1 12 . 1 1 37 37 GLU HA H 37 4.006 4.006 3.976 0.030 25627
5942 1 12 . 1 1 37 37 GLU C C 37 178.417 178.417 178.234 0.183 25627
5943 1 12 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.602 0.821 25627
5944 1 12 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.015 0.883 25627
5945 1 12 . 1 1 37 37 GLU H H 37 8.463 8.463 8.175 0.288 25627
5946 1 12 . 1 1 38 38 TYR N N 38 117.942 117.942 121.035 -3.093 25627
5947 1 12 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.846 -0.363 25627
5948 1 12 . 1 1 38 38 TYR C C 38 176.772 176.772 177.612 -0.840 25627
5949 1 12 . 1 1 38 38 TYR CA C 38 62.767 62.767 61.462 1.305 25627
5950 1 12 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.561 1.418 25627
5951 1 12 . 1 1 38 38 TYR H H 38 7.949 7.949 7.983 -0.034 25627
5952 1 12 . 1 1 39 39 LYS N N 39 115.539 115.539 118.178 -2.639 25627
5953 1 12 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.658 -0.010 25627
5954 1 12 . 1 1 39 39 LYS C C 39 179.543 179.543 178.936 0.607 25627
5955 1 12 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.736 0.911 25627
5956 1 12 . 1 1 39 39 LYS CB C 39 32.223 32.223 32.035 0.188 25627
5957 1 12 . 1 1 39 39 LYS H H 39 8.287 8.287 8.480 -0.193 25627
5958 1 12 . 1 1 40 40 GLN N N 40 118.265 118.265 119.718 -1.453 25627
5959 1 12 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.114 -0.103 25627
5960 1 12 . 1 1 40 40 GLN C C 40 178.263 178.263 177.943 0.320 25627
5961 1 12 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.561 0.192 25627
5962 1 12 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.559 0.017 25627
5963 1 12 . 1 1 40 40 GLN H H 40 7.605 7.605 7.495 0.110 25627
5964 1 12 . 1 1 41 41 VAL N N 41 118.627 118.627 119.176 -0.549 25627
5965 1 12 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.598 0.164 25627
5966 1 12 . 1 1 41 41 VAL C C 41 178.092 178.092 177.527 0.565 25627
5967 1 12 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.863 -0.154 25627
5968 1 12 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.789 0.853 25627
5969 1 12 . 1 1 41 41 VAL H H 41 8.470 8.470 7.781 0.689 25627
5970 1 12 . 1 1 42 42 LYS N N 42 115.117 115.117 116.601 -1.484 25627
5971 1 12 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.307 -0.057 25627
5972 1 12 . 1 1 42 42 LYS C C 42 176.102 176.102 175.479 0.623 25627
5973 1 12 . 1 1 42 42 LYS CA C 42 53.901 53.901 55.234 -1.333 25627
5974 1 12 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.242 -1.077 25627
5975 1 12 . 1 1 42 42 LYS H H 42 8.263 8.263 7.568 0.695 25627
5976 1 12 . 1 1 43 43 GLN N N 43 116.108 116.108 116.220 -0.112 25627
5977 1 12 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.958 0.010 25627
5978 1 12 . 1 1 43 43 GLN C C 43 175.125 175.125 175.312 -0.187 25627
5979 1 12 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.831 -0.276 25627
5980 1 12 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.775 0.137 25627
5981 1 12 . 1 1 43 43 GLN H H 43 7.717 7.717 7.826 -0.109 25627
5982 1 12 . 1 1 44 44 VAL N N 44 110.285 110.285 113.398 -3.113 25627
5983 1 12 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.414 0.144 25627
5984 1 12 . 1 1 44 44 VAL C C 44 175.431 175.431 174.503 0.928 25627
5985 1 12 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.315 -0.074 25627
5986 1 12 . 1 1 44 44 VAL CB C 44 34.732 34.732 33.261 1.471 25627
5987 1 12 . 1 1 44 44 VAL H H 44 6.817 6.817 7.715 -0.898 25627
5988 1 12 . 1 1 45 45 ALA N N 45 123.422 123.422 121.098 2.324 25627
5989 1 12 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.713 -0.358 25627
5990 1 12 . 1 1 45 45 ALA C C 45 177.543 177.543 176.134 1.409 25627
5991 1 12 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.282 0.539 25627
5992 1 12 . 1 1 45 45 ALA CB C 45 19.812 19.812 18.956 0.856 25627
5993 1 12 . 1 1 45 45 ALA H H 45 8.571 8.571 7.998 0.573 25627
5994 1 12 . 1 1 46 46 MET N N 46 114.808 114.808 116.352 -1.544 25627
5995 1 12 . 1 1 46 46 MET HA H 46 4.724 4.724 4.851 -0.127 25627
5996 1 12 . 1 1 46 46 MET C C 46 173.698 173.698 174.115 -0.417 25627
5997 1 12 . 1 1 46 46 MET CA C 46 54.230 54.230 54.807 -0.577 25627
5998 1 12 . 1 1 46 46 MET CB C 46 34.793 34.793 34.766 0.027 25627
5999 1 12 . 1 1 46 46 MET H H 46 7.657 7.657 7.821 -0.164 25627
6000 1 12 . 1 1 47 47 VAL N N 47 120.757 120.757 121.453 -0.696 25627
6001 1 12 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.531 -0.252 25627
6002 1 12 . 1 1 47 47 VAL C C 47 174.985 174.985 175.194 -0.209 25627
6003 1 12 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.081 -0.045 25627
6004 1 12 . 1 1 47 47 VAL CB C 47 33.826 33.826 34.236 -0.410 25627
6005 1 12 . 1 1 47 47 VAL H H 47 8.459 8.459 8.294 0.165 25627
6006 1 12 . 1 1 48 48 ASP N N 48 126.251 126.251 127.180 -0.929 25627
6007 1 12 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.686 -0.213 25627
6008 1 12 . 1 1 48 48 ASP C C 48 175.819 175.819 175.322 0.497 25627
6009 1 12 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.666 0.806 25627
6010 1 12 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.314 0.820 25627
6011 1 12 . 1 1 48 48 ASP H H 48 8.929 8.929 8.698 0.231 25627
6012 1 12 . 1 1 49 49 ARG N N 49 122.995 122.995 120.853 2.142 25627
6013 1 12 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.220 -0.461 25627
6014 1 12 . 1 1 49 49 ARG C C 49 176.363 176.363 175.018 1.345 25627
6015 1 12 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.357 0.257 25627
6016 1 12 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.575 -0.105 25627
6017 1 12 . 1 1 49 49 ARG H H 49 8.534 8.534 8.213 0.321 25627
6018 1 12 . 1 1 50 50 TRP N N 50 125.191 125.191 121.452 3.739 25627
6019 1 12 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.160 -0.496 25627
6020 1 12 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.428 0.167 25627
6021 1 12 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.185 -0.072 25627
6022 1 12 . 1 1 50 50 TRP H H 50 9.111 9.111 8.337 0.774 25627
6023 1 12 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.282 0.063 25627
6024 1 12 . 1 1 51 51 PRO C C 51 178.698 178.698 177.514 1.184 25627
6025 1 12 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.151 -0.577 25627
6026 1 12 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.121 0.042 25627
6027 1 12 . 1 1 52 52 GLU N N 52 116.570 116.570 118.622 -2.052 25627
6028 1 12 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.196 -0.226 25627
6029 1 12 . 1 1 52 52 GLU C C 52 178.031 178.031 178.002 0.029 25627
6030 1 12 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.833 1.925 25627
6031 1 12 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.382 0.232 25627
6032 1 12 . 1 1 52 52 GLU H H 52 9.951 9.951 8.860 1.091 25627
6033 1 12 . 1 1 53 53 THR N N 53 103.788 103.788 106.852 -3.064 25627
6034 1 12 . 1 1 53 53 THR HA H 53 4.135 4.135 4.293 -0.158 25627
6035 1 12 . 1 1 53 53 THR C C 53 175.731 175.731 175.222 0.509 25627
6036 1 12 . 1 1 53 53 THR CA C 53 60.427 60.427 62.311 -1.884 25627
6037 1 12 . 1 1 53 53 THR CB C 53 70.762 70.762 71.334 -0.572 25627
6038 1 12 . 1 1 53 53 THR H H 53 7.120 7.120 7.717 -0.597 25627
6039 1 12 . 1 1 54 54 GLY N N 54 109.195 109.195 111.180 -1.985 25627
6040 1 12 . 1 1 54 54 GLY C C 54 174.593 174.593 173.812 0.781 25627
6041 1 12 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.128 0.620 25627
6042 1 12 . 1 1 54 54 GLY H H 54 8.227 8.227 8.122 0.105 25627
6043 1 12 . 1 1 55 55 TYR N N 55 119.038 119.038 119.248 -0.210 25627
6044 1 12 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.645 1.060 25627
6045 1 12 . 1 1 55 55 TYR C C 55 177.556 177.556 176.238 1.318 25627
6046 1 12 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.135 -3.405 25627
6047 1 12 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.273 -0.532 25627
6048 1 12 . 1 1 55 55 TYR H H 55 7.353 7.353 7.444 -0.091 25627
6049 1 12 . 1 1 56 56 VAL N N 56 120.089 120.089 122.098 -2.009 25627
6050 1 12 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.118 -0.505 25627
6051 1 12 . 1 1 56 56 VAL C C 56 174.564 174.564 177.023 -2.459 25627
6052 1 12 . 1 1 56 56 VAL CA C 56 64.767 64.767 62.945 1.822 25627
6053 1 12 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.097 1.670 25627
6054 1 12 . 1 1 56 56 VAL H H 56 8.252 8.252 8.641 -0.389 25627
6055 1 12 . 1 1 57 57 LYS N N 57 127.233 127.233 128.116 -0.883 25627
6056 1 12 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.688 -0.240 25627
6057 1 12 . 1 1 57 57 LYS C C 57 175.256 175.256 176.541 -1.285 25627
6058 1 12 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.317 -1.334 25627
6059 1 12 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.693 1.557 25627
6060 1 12 . 1 1 57 57 LYS H H 57 9.005 9.005 8.823 0.182 25627
6061 1 12 . 1 1 58 58 LYS N N 58 115.918 115.918 115.213 0.705 25627
6062 1 12 . 1 1 58 58 LYS HA H 58 5.370 5.370 4.859 0.511 25627
6063 1 12 . 1 1 58 58 LYS C C 58 174.030 174.030 174.363 -0.333 25627
6064 1 12 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.278 -0.424 25627
6065 1 12 . 1 1 58 58 LYS CB C 58 35.823 35.823 35.987 -0.164 25627
6066 1 12 . 1 1 58 58 LYS H H 58 6.921 6.921 7.588 -0.667 25627
6067 1 12 . 1 1 59 59 LEU N N 59 121.666 121.666 121.699 -0.033 25627
6068 1 12 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.565 0.084 25627
6069 1 12 . 1 1 59 59 LEU C C 59 174.451 174.451 174.860 -0.409 25627
6070 1 12 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.214 -0.742 25627
6071 1 12 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.403 0.536 25627
6072 1 12 . 1 1 59 59 LEU H H 59 8.793 8.793 8.908 -0.115 25627
6073 1 12 . 1 1 60 60 GLN N N 60 121.710 121.710 123.933 -2.223 25627
6074 1 12 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.321 0.115 25627
6075 1 12 . 1 1 60 60 GLN C C 60 176.636 176.636 175.299 1.337 25627
6076 1 12 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.933 -1.016 25627
6077 1 12 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.619 0.717 25627
6078 1 12 . 1 1 60 60 GLN H H 60 8.879 8.879 8.748 0.131 25627
6079 1 12 . 1 1 61 61 ARG N N 61 126.172 126.172 124.354 1.818 25627
6080 1 12 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.059 0.484 25627
6081 1 12 . 1 1 61 61 ARG C C 61 178.315 178.315 177.481 0.834 25627
6082 1 12 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.241 2.332 25627
6083 1 12 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.852 1.049 25627
6084 1 12 . 1 1 61 61 ARG H H 61 9.387 9.387 8.659 0.728 25627
6085 1 12 . 1 1 62 62 ARG N N 62 123.754 123.754 120.110 3.644 25627
6086 1 12 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.299 -0.431 25627
6087 1 12 . 1 1 62 62 ARG C C 62 176.508 176.508 176.367 0.141 25627
6088 1 12 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.258 1.605 25627
6089 1 12 . 1 1 62 62 ARG CB C 62 29.464 29.464 30.057 -0.593 25627
6090 1 12 . 1 1 62 62 ARG H H 62 9.385 9.385 8.471 0.914 25627
6091 1 12 . 1 1 63 63 ASP N N 63 116.155 116.155 117.456 -1.301 25627
6092 1 12 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.700 -0.269 25627
6093 1 12 . 1 1 63 63 ASP C C 63 176.163 176.163 175.532 0.631 25627
6094 1 12 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.784 -0.598 25627
6095 1 12 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.125 -0.369 25627
6096 1 12 . 1 1 63 63 ASP H H 63 7.505 7.505 8.122 -0.617 25627
6097 1 12 . 1 1 64 64 ASN N N 64 110.183 110.183 112.487 -2.304 25627
6098 1 12 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.241 -0.154 25627
6099 1 12 . 1 1 64 64 ASN C C 64 175.432 175.432 173.627 1.805 25627
6100 1 12 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.687 0.743 25627
6101 1 12 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.365 -0.331 25627
6102 1 12 . 1 1 64 64 ASN H H 64 7.791 7.791 8.386 -0.595 25627
6103 1 12 . 1 1 65 65 THR N N 65 112.736 112.736 110.906 1.830 25627
6104 1 12 . 1 1 65 65 THR HA H 65 4.414 4.414 4.317 0.097 25627
6105 1 12 . 1 1 65 65 THR C C 65 173.653 173.653 174.131 -0.478 25627
6106 1 12 . 1 1 65 65 THR CA C 65 62.342 62.342 61.501 0.841 25627
6107 1 12 . 1 1 65 65 THR CB C 65 70.946 70.946 69.256 1.690 25627
6108 1 12 . 1 1 65 65 THR H H 65 7.921 7.921 7.404 0.517 25627
6109 1 12 . 1 1 66 66 PHE N N 66 118.850 118.850 124.806 -5.956 25627
6110 1 12 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.338 0.806 25627
6111 1 12 . 1 1 66 66 PHE C C 66 174.762 174.762 175.034 -0.272 25627
6112 1 12 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.852 -0.373 25627
6113 1 12 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.523 2.740 25627
6114 1 12 . 1 1 66 66 PHE H H 66 8.926 8.926 8.830 0.096 25627
6115 1 12 . 1 1 67 67 PHE N N 67 124.259 124.259 126.827 -2.568 25627
6116 1 12 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.722 -0.058 25627
6117 1 12 . 1 1 67 67 PHE C C 67 173.553 173.553 173.187 0.366 25627
6118 1 12 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.225 -0.321 25627
6119 1 12 . 1 1 67 67 PHE CB C 67 42.337 42.337 41.950 0.387 25627
6120 1 12 . 1 1 67 67 PHE H H 67 9.142 9.142 8.715 0.427 25627
6121 1 12 . 1 1 68 68 TYR N N 68 122.881 122.881 126.845 -3.964 25627
6122 1 12 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.486 0.385 25627
6123 1 12 . 1 1 68 68 TYR C C 68 174.835 174.835 175.169 -0.334 25627
6124 1 12 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.569 -1.176 25627
6125 1 12 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.821 1.368 25627
6126 1 12 . 1 1 68 68 TYR H H 68 8.064 8.064 8.128 -0.064 25627
6127 1 12 . 1 1 69 69 TYR N N 69 118.675 118.675 123.400 -4.725 25627
6128 1 12 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.832 0.193 25627
6129 1 12 . 1 1 69 69 TYR C C 69 177.181 177.181 175.131 2.050 25627
6130 1 12 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.174 -0.262 25627
6131 1 12 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.774 1.649 25627
6132 1 12 . 1 1 69 69 TYR H H 69 8.384 8.384 8.628 -0.244 25627
6133 1 12 . 1 1 70 70 ASN N N 70 122.917 122.917 118.972 3.945 25627
6134 1 12 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.930 -0.135 25627
6135 1 12 . 1 1 70 70 ASN C C 70 175.433 175.433 176.217 -0.784 25627
6136 1 12 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.683 0.676 25627
6137 1 12 . 1 1 70 70 ASN CB C 70 39.377 39.377 40.122 -0.745 25627
6138 1 12 . 1 1 70 70 ASN H H 70 9.832 9.832 8.808 1.024 25627
6139 1 12 . 1 1 71 71 LYS N N 71 123.116 123.116 121.333 1.783 25627
6140 1 12 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.406 -2.167 25627
6141 1 12 . 1 1 71 71 LYS C C 71 175.495 175.495 177.506 -2.011 25627
6142 1 12 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.420 0.001 25627
6143 1 12 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.206 -0.129 25627
6144 1 12 . 1 1 71 71 LYS H H 71 8.047 8.047 8.742 -0.695 25627
6145 1 12 . 1 1 72 72 GLU N N 72 113.242 113.242 121.242 -8.000 25627
6146 1 12 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.336 0.042 25627
6147 1 12 . 1 1 72 72 GLU C C 72 175.018 175.018 175.728 -0.710 25627
6148 1 12 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.999 -1.192 25627
6149 1 12 . 1 1 72 72 GLU CB C 72 30.432 30.432 27.576 2.856 25627
6150 1 12 . 1 1 72 72 GLU H H 72 7.335 7.335 8.313 -0.978 25627
6151 1 12 . 1 1 73 73 ARG N N 73 118.120 118.120 120.929 -2.809 25627
6152 1 12 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.990 -0.636 25627
6153 1 12 . 1 1 73 73 ARG C C 73 175.859 175.859 176.011 -0.152 25627
6154 1 12 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.338 0.336 25627
6155 1 12 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.363 0.771 25627
6156 1 12 . 1 1 73 73 ARG H H 73 8.174 8.174 8.461 -0.287 25627
6157 1 12 . 1 1 74 74 GLU N N 74 127.360 127.360 123.419 3.941 25627
6158 1 12 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.330 0.163 25627
6159 1 12 . 1 1 74 74 GLU C C 74 176.415 176.415 175.095 1.320 25627
6160 1 12 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.422 1.639 25627
6161 1 12 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.583 3.879 25627
6162 1 12 . 1 1 74 74 GLU H H 74 10.788 10.788 8.444 2.344 25627
6163 1 12 . 1 1 75 75 CYS N N 75 123.441 123.441 118.989 4.452 25627
6164 1 12 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.466 -0.990 25627
6165 1 12 . 1 1 75 75 CYS C C 75 174.198 174.198 173.582 0.616 25627
6166 1 12 . 1 1 75 75 CYS CA C 75 59.022 59.022 58.112 0.909 25627
6167 1 12 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.542 -2.320 25627
6168 1 12 . 1 1 75 75 CYS H H 75 9.198 9.198 7.526 1.672 25627
6169 1 12 . 1 1 76 76 GLU N N 76 131.177 131.177 124.756 6.421 25627
6170 1 12 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.297 -0.302 25627
6171 1 12 . 1 1 76 76 GLU C C 76 177.122 177.122 175.838 1.284 25627
6172 1 12 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.849 1.967 25627
6173 1 12 . 1 1 76 76 GLU CB C 76 30.668 30.668 31.820 -1.151 25627
6174 1 12 . 1 1 76 76 GLU H H 76 8.452 8.452 8.108 0.344 25627
6175 1 12 . 1 1 77 77 ASP N N 77 123.154 123.154 121.695 1.459 25627
6176 1 12 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.307 0.029 25627
6177 1 12 . 1 1 77 77 ASP C C 77 179.545 179.545 177.605 1.940 25627
6178 1 12 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.410 1.200 25627
6179 1 12 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.244 -0.295 25627
6180 1 12 . 1 1 77 77 ASP H H 77 9.067 9.067 8.800 0.267 25627
6181 1 12 . 1 1 78 78 LYS N N 78 116.055 116.055 118.864 -2.809 25627
6182 1 12 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.008 0.290 25627
6183 1 12 . 1 1 78 78 LYS C C 78 176.146 176.146 178.892 -2.746 25627
6184 1 12 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.352 -0.868 25627
6185 1 12 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.156 -0.316 25627
6186 1 12 . 1 1 78 78 LYS H H 78 8.664 8.664 8.133 0.531 25627
6187 1 12 . 1 1 79 79 GLU N N 79 117.481 117.481 119.092 -1.611 25627
6188 1 12 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.149 0.298 25627
6189 1 12 . 1 1 79 79 GLU C C 79 177.666 177.666 178.878 -1.212 25627
6190 1 12 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.556 -2.951 25627
6191 1 12 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.454 1.534 25627
6192 1 12 . 1 1 79 79 GLU H H 79 7.735 7.735 8.375 -0.640 25627
6193 1 12 . 1 1 80 80 VAL N N 80 121.192 121.192 120.694 0.498 25627
6194 1 12 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.709 -0.466 25627
6195 1 12 . 1 1 80 80 VAL C C 80 176.731 176.731 177.502 -0.771 25627
6196 1 12 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.551 0.324 25627
6197 1 12 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.126 1.047 25627
6198 1 12 . 1 1 80 80 VAL H H 80 7.274 7.274 7.647 -0.373 25627
6199 1 12 . 1 1 81 81 HIS N N 81 112.861 112.861 117.124 -4.263 25627
6200 1 12 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.312 0.336 25627
6201 1 12 . 1 1 81 81 HIS C C 81 175.330 175.330 176.935 -1.605 25627
6202 1 12 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.154 -1.407 25627
6203 1 12 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.190 -1.010 25627
6204 1 12 . 1 1 81 81 HIS H H 81 8.157 8.157 7.645 0.512 25627
6205 1 12 . 1 1 82 82 LYS N N 82 117.850 117.850 116.633 1.217 25627
6206 1 12 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.232 -0.221 25627
6207 1 12 . 1 1 82 82 LYS C C 82 177.430 177.430 177.359 0.071 25627
6208 1 12 . 1 1 82 82 LYS CA C 82 56.591 56.591 58.213 -1.622 25627
6209 1 12 . 1 1 82 82 LYS CB C 82 33.083 33.083 33.199 -0.116 25627
6210 1 12 . 1 1 82 82 LYS H H 82 7.264 7.264 7.575 -0.311 25627
6211 1 12 . 1 1 83 83 VAL N N 83 123.619 123.619 119.408 4.211 25627
6212 1 12 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.107 -0.227 25627
6213 1 12 . 1 1 83 83 VAL C C 83 175.239 175.239 174.968 0.271 25627
6214 1 12 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.299 1.513 25627
6215 1 12 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.127 -0.579 25627
6216 1 12 . 1 1 83 83 VAL H H 83 8.126 8.126 8.144 -0.018 25627
6217 1 12 . 1 1 84 84 LYS N N 84 128.994 128.994 126.132 2.862 25627
6218 1 12 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.666 -0.213 25627
6219 1 12 . 1 1 84 84 LYS C C 84 174.399 174.399 175.623 -1.224 25627
6220 1 12 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.778 1.039 25627
6221 1 12 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.954 -0.848 25627
6222 1 12 . 1 1 84 84 LYS H H 84 9.031 9.031 8.321 0.710 25627
6223 1 12 . 1 1 85 85 VAL N N 85 120.723 120.723 120.382 0.341 25627
6224 1 12 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.509 -0.479 25627
6225 1 12 . 1 1 85 85 VAL C C 85 175.482 175.482 174.784 0.698 25627
6226 1 12 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.309 0.333 25627
6227 1 12 . 1 1 85 85 VAL CB C 85 32.488 32.488 34.086 -1.598 25627
6228 1 12 . 1 1 85 85 VAL H H 85 8.299 8.299 9.147 -0.848 25627
6229 1 12 . 1 1 86 86 TYR N N 86 126.214 126.214 128.284 -2.070 25627
6230 1 12 . 1 1 86 86 TYR HA H 86 4.726 4.726 5.043 -0.317 25627
6231 1 12 . 1 1 86 86 TYR C C 86 175.214 175.214 174.904 0.310 25627
6232 1 12 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.358 3.182 25627
6233 1 12 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.604 1.448 25627
6234 1 12 . 1 1 86 86 TYR H H 86 8.077 8.077 8.914 -0.837 25627
6235 1 12 . 1 1 87 87 VAL N N 87 123.680 123.680 121.849 1.831 25627
6236 1 12 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.187 0.009 25627
6237 1 12 . 1 1 87 87 VAL C C 87 174.322 174.322 174.001 0.321 25627
6238 1 12 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.580 2.321 25627
6239 1 12 . 1 1 87 87 VAL CB C 87 33.779 33.779 32.621 1.158 25627
6240 1 12 . 1 1 87 87 VAL H H 87 8.133 8.133 8.751 -0.618 25627
6241 1 13 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.226 -0.096 25627
6242 1 13 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 57.368 -2.519 25627
6243 1 13 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 28.432 3.241 25627
6244 1 13 . 1 1 0 0 MET N N 0 120.413 120.413 115.589 4.824 25627
6245 1 13 . 1 1 0 0 MET HA H 0 4.350 4.350 4.514 -0.164 25627
6246 1 13 . 1 1 0 0 MET C C 0 175.829 175.829 174.471 1.358 25627
6247 1 13 . 1 1 0 0 MET CA C 0 55.134 55.134 54.510 0.625 25627
6248 1 13 . 1 1 0 0 MET CB C 0 32.391 32.391 35.753 -3.362 25627
6249 1 13 . 1 1 0 0 MET H H 0 8.332 8.332 7.566 0.766 25627
6250 1 13 . 1 1 1 1 MET N N 1 121.120 121.120 119.587 1.533 25627
6251 1 13 . 1 1 1 1 MET HA H 1 4.443 4.443 4.819 -0.376 25627
6252 1 13 . 1 1 1 1 MET C C 1 175.772 175.772 175.129 0.643 25627
6253 1 13 . 1 1 1 1 MET CA C 1 55.446 55.446 53.441 2.005 25627
6254 1 13 . 1 1 1 1 MET CB C 1 32.774 32.774 35.310 -2.536 25627
6255 1 13 . 1 1 1 1 MET H H 1 8.287 8.287 8.272 0.015 25627
6256 1 13 . 1 1 2 2 ALA N N 2 125.673 125.673 123.093 2.580 25627
6257 1 13 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.148 0.219 25627
6258 1 13 . 1 1 2 2 ALA C C 2 177.821 177.821 177.930 -0.109 25627
6259 1 13 . 1 1 2 2 ALA CA C 2 52.568 52.568 53.630 -1.062 25627
6260 1 13 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.212 0.025 25627
6261 1 13 . 1 1 2 2 ALA H H 2 8.373 8.373 8.577 -0.204 25627
6262 1 13 . 1 1 3 3 THR N N 3 113.038 113.038 115.451 -2.413 25627
6263 1 13 . 1 1 3 3 THR HA H 3 4.354 4.354 3.889 0.465 25627
6264 1 13 . 1 1 3 3 THR C C 3 174.577 174.577 176.019 -1.442 25627
6265 1 13 . 1 1 3 3 THR CA C 3 61.679 61.679 65.471 -3.792 25627
6266 1 13 . 1 1 3 3 THR CB C 3 69.864 69.864 67.206 2.658 25627
6267 1 13 . 1 1 3 3 THR H H 3 8.099 8.099 8.824 -0.725 25627
6268 1 13 . 1 1 4 4 SER N N 4 117.235 117.235 117.462 -0.227 25627
6269 1 13 . 1 1 4 4 SER HA H 4 4.440 4.440 4.278 0.162 25627
6270 1 13 . 1 1 4 4 SER C C 4 173.887 173.887 174.844 -0.957 25627
6271 1 13 . 1 1 4 4 SER CA C 4 58.314 58.314 61.081 -2.767 25627
6272 1 13 . 1 1 4 4 SER CB C 4 63.951 63.951 63.375 0.576 25627
6273 1 13 . 1 1 4 4 SER H H 4 8.238 8.238 7.989 0.249 25627
6274 1 13 . 1 1 5 5 ASP N N 5 122.543 122.543 117.961 4.582 25627
6275 1 13 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.638 -0.055 25627
6276 1 13 . 1 1 5 5 ASP C C 5 175.690 175.690 175.697 -0.007 25627
6277 1 13 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.028 1.118 25627
6278 1 13 . 1 1 5 5 ASP CB C 5 41.166 41.166 40.379 0.787 25627
6279 1 13 . 1 1 5 5 ASP H H 5 8.321 8.321 7.785 0.536 25627
6280 1 13 . 1 1 6 6 VAL N N 6 121.235 121.235 121.566 -0.331 25627
6281 1 13 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.178 -0.080 25627
6282 1 13 . 1 1 6 6 VAL C C 6 175.211 175.211 175.341 -0.130 25627
6283 1 13 . 1 1 6 6 VAL CA C 6 62.322 62.322 62.127 0.195 25627
6284 1 13 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.664 -0.083 25627
6285 1 13 . 1 1 6 6 VAL H H 6 7.942 7.942 7.408 0.534 25627
6286 1 13 . 1 1 7 7 LYS N N 7 125.356 125.356 129.674 -4.318 25627
6287 1 13 . 1 1 7 7 LYS CA C 7 53.311 53.311 53.442 -0.131 25627
6288 1 13 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.416 2.078 25627
6289 1 13 . 1 1 7 7 LYS H H 7 8.383 8.383 8.360 0.023 25627
6290 1 13 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.498 -0.539 25627
6291 1 13 . 1 1 8 8 PRO C C 8 176.346 176.346 176.070 0.276 25627
6292 1 13 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.007 -0.014 25627
6293 1 13 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.453 -0.450 25627
6294 1 13 . 1 1 9 9 LYS N N 9 122.609 122.609 122.328 0.281 25627
6295 1 13 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.289 -0.002 25627
6296 1 13 . 1 1 9 9 LYS C C 9 177.164 177.164 176.611 0.553 25627
6297 1 13 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.025 0.197 25627
6298 1 13 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.690 0.272 25627
6299 1 13 . 1 1 9 9 LYS H H 9 9.393 9.393 8.582 0.811 25627
6300 1 13 . 1 1 10 10 SER N N 10 111.655 111.655 112.099 -0.444 25627
6301 1 13 . 1 1 10 10 SER HA H 10 4.563 4.563 4.681 -0.118 25627
6302 1 13 . 1 1 10 10 SER C C 10 171.697 171.697 172.208 -0.511 25627
6303 1 13 . 1 1 10 10 SER CA C 10 57.614 57.614 57.849 -0.235 25627
6304 1 13 . 1 1 10 10 SER CB C 10 64.687 64.687 66.485 -1.798 25627
6305 1 13 . 1 1 10 10 SER H H 10 7.846 7.846 7.741 0.105 25627
6306 1 13 . 1 1 11 11 ILE N N 11 121.054 121.054 120.486 0.568 25627
6307 1 13 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.683 -0.152 25627
6308 1 13 . 1 1 11 11 ILE C C 11 175.460 175.460 175.250 0.210 25627
6309 1 13 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.877 -0.083 25627
6310 1 13 . 1 1 11 11 ILE CB C 11 41.105 41.105 40.677 0.428 25627
6311 1 13 . 1 1 11 11 ILE H H 11 8.128 8.128 8.426 -0.298 25627
6312 1 13 . 1 1 12 12 SER N N 12 122.340 122.340 121.556 0.784 25627
6313 1 13 . 1 1 12 12 SER HA H 12 4.757 4.757 4.889 -0.132 25627
6314 1 13 . 1 1 12 12 SER C C 12 172.771 172.771 172.811 -0.040 25627
6315 1 13 . 1 1 12 12 SER CA C 12 56.498 56.498 56.825 -0.327 25627
6316 1 13 . 1 1 12 12 SER CB C 12 65.418 65.418 66.276 -0.858 25627
6317 1 13 . 1 1 12 12 SER H H 12 8.782 8.782 9.118 -0.336 25627
6318 1 13 . 1 1 13 13 ARG N N 13 119.603 119.603 120.028 -0.425 25627
6319 1 13 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.594 0.282 25627
6320 1 13 . 1 1 13 13 ARG C C 13 176.720 176.720 175.695 1.025 25627
6321 1 13 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.758 -0.450 25627
6322 1 13 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.590 0.164 25627
6323 1 13 . 1 1 13 13 ARG H H 13 8.374 8.374 8.481 -0.107 25627
6324 1 13 . 1 1 14 14 ALA N N 14 127.004 127.004 126.912 0.092 25627
6325 1 13 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.347 -0.237 25627
6326 1 13 . 1 1 14 14 ALA C C 14 176.523 176.523 176.872 -0.349 25627
6327 1 13 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.410 0.132 25627
6328 1 13 . 1 1 14 14 ALA CB C 14 20.087 20.087 20.166 -0.079 25627
6329 1 13 . 1 1 14 14 ALA H H 14 8.725 8.725 8.414 0.311 25627
6330 1 13 . 1 1 15 15 LYS N N 15 117.157 117.157 120.121 -2.964 25627
6331 1 13 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.163 0.209 25627
6332 1 13 . 1 1 15 15 LYS C C 15 176.383 176.383 176.029 0.354 25627
6333 1 13 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.491 -0.865 25627
6334 1 13 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.040 1.570 25627
6335 1 13 . 1 1 15 15 LYS H H 15 8.518 8.518 8.632 -0.114 25627
6336 1 13 . 1 1 16 16 LYS N N 16 116.265 116.265 117.056 -0.791 25627
6337 1 13 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.508 0.067 25627
6338 1 13 . 1 1 16 16 LYS C C 16 174.584 174.584 174.300 0.284 25627
6339 1 13 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.861 -0.167 25627
6340 1 13 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.910 0.694 25627
6341 1 13 . 1 1 16 16 LYS H H 16 7.429 7.429 7.781 -0.352 25627
6342 1 13 . 1 1 17 17 TRP N N 17 123.638 123.638 124.835 -1.197 25627
6343 1 13 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.415 -0.630 25627
6344 1 13 . 1 1 17 17 TRP C C 17 174.781 174.781 174.799 -0.018 25627
6345 1 13 . 1 1 17 17 TRP CA C 17 61.877 61.877 59.197 2.680 25627
6346 1 13 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.849 -0.928 25627
6347 1 13 . 1 1 17 17 TRP H H 17 9.412 9.412 8.593 0.819 25627
6348 1 13 . 1 1 18 18 SER N N 18 119.926 119.926 119.708 0.218 25627
6349 1 13 . 1 1 18 18 SER HA H 18 3.831 3.831 4.028 -0.197 25627
6350 1 13 . 1 1 18 18 SER C C 18 172.100 172.100 173.419 -1.319 25627
6351 1 13 . 1 1 18 18 SER CA C 18 56.830 56.830 56.595 0.235 25627
6352 1 13 . 1 1 18 18 SER CB C 18 66.241 66.241 66.056 0.185 25627
6353 1 13 . 1 1 18 18 SER H H 18 6.081 6.081 7.437 -1.356 25627
6354 1 13 . 1 1 19 19 GLU N N 19 120.673 120.673 123.562 -2.889 25627
6355 1 13 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.856 -0.209 25627
6356 1 13 . 1 1 19 19 GLU C C 19 177.682 177.682 178.352 -0.670 25627
6357 1 13 . 1 1 19 19 GLU CA C 19 60.579 60.579 60.092 0.487 25627
6358 1 13 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.813 -1.190 25627
6359 1 13 . 1 1 19 19 GLU H H 19 9.355 9.355 8.792 0.563 25627
6360 1 13 . 1 1 20 20 GLU N N 20 117.979 117.979 118.032 -0.053 25627
6361 1 13 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.065 0.159 25627
6362 1 13 . 1 1 20 20 GLU C C 20 179.454 179.454 178.708 0.746 25627
6363 1 13 . 1 1 20 20 GLU CA C 20 59.251 59.251 59.303 -0.052 25627
6364 1 13 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.273 0.442 25627
6365 1 13 . 1 1 20 20 GLU H H 20 7.946 7.946 8.604 -0.658 25627
6366 1 13 . 1 1 21 21 ILE N N 21 121.560 121.560 120.203 1.357 25627
6367 1 13 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.802 -0.025 25627
6368 1 13 . 1 1 21 21 ILE C C 21 176.700 176.700 177.846 -1.146 25627
6369 1 13 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.948 -0.970 25627
6370 1 13 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.447 -0.353 25627
6371 1 13 . 1 1 21 21 ILE H H 21 7.122 7.122 7.677 -0.555 25627
6372 1 13 . 1 1 22 22 GLU N N 22 121.372 121.372 120.799 0.573 25627
6373 1 13 . 1 1 22 22 GLU HA H 22 3.999 3.999 4.023 -0.024 25627
6374 1 13 . 1 1 22 22 GLU C C 22 178.416 178.416 178.877 -0.461 25627
6375 1 13 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.363 -1.345 25627
6376 1 13 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.218 -1.066 25627
6377 1 13 . 1 1 22 22 GLU H H 22 8.017 8.017 8.416 -0.399 25627
6378 1 13 . 1 1 23 23 ASN N N 23 114.717 114.717 118.118 -3.401 25627
6379 1 13 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.581 0.156 25627
6380 1 13 . 1 1 23 23 ASN C C 23 177.565 177.565 177.925 -0.360 25627
6381 1 13 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.308 0.056 25627
6382 1 13 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.511 0.295 25627
6383 1 13 . 1 1 23 23 ASN H H 23 7.352 7.352 7.809 -0.457 25627
6384 1 13 . 1 1 24 24 LEU N N 24 122.083 122.083 120.886 1.197 25627
6385 1 13 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.949 0.454 25627
6386 1 13 . 1 1 24 24 LEU C C 24 178.487 178.487 179.111 -0.624 25627
6387 1 13 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.203 1.294 25627
6388 1 13 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.853 0.382 25627
6389 1 13 . 1 1 24 24 LEU H H 24 8.232 8.232 7.758 0.474 25627
6390 1 13 . 1 1 25 25 TYR N N 25 118.898 118.898 120.266 -1.368 25627
6391 1 13 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.183 -0.108 25627
6392 1 13 . 1 1 25 25 TYR C C 25 177.164 177.164 177.583 -0.419 25627
6393 1 13 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.181 0.360 25627
6394 1 13 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.279 -0.745 25627
6395 1 13 . 1 1 25 25 TYR H H 25 9.056 9.056 9.063 -0.007 25627
6396 1 13 . 1 1 26 26 ARG N N 26 119.000 119.000 118.743 0.257 25627
6397 1 13 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.467 -0.109 25627
6398 1 13 . 1 1 26 26 ARG C C 26 179.709 179.709 178.876 0.833 25627
6399 1 13 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.554 0.715 25627
6400 1 13 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.646 -1.052 25627
6401 1 13 . 1 1 26 26 ARG H H 26 7.672 7.672 7.994 -0.322 25627
6402 1 13 . 1 1 27 27 PHE N N 27 119.640 119.640 119.954 -0.314 25627
6403 1 13 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.033 -0.163 25627
6404 1 13 . 1 1 27 27 PHE C C 27 178.542 178.542 177.909 0.633 25627
6405 1 13 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.167 2.265 25627
6406 1 13 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.629 -0.669 25627
6407 1 13 . 1 1 27 27 PHE H H 27 8.497 8.497 8.896 -0.399 25627
6408 1 13 . 1 1 28 28 GLN N N 28 120.400 120.400 118.752 1.648 25627
6409 1 13 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.091 0.634 25627
6410 1 13 . 1 1 28 28 GLN C C 28 182.258 182.258 179.089 3.169 25627
6411 1 13 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.820 0.143 25627
6412 1 13 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.714 -1.953 25627
6413 1 13 . 1 1 28 28 GLN H H 28 8.995 8.995 8.823 0.172 25627
6414 1 13 . 1 1 29 29 GLN N N 29 122.649 122.649 118.595 4.054 25627
6415 1 13 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.948 0.008 25627
6416 1 13 . 1 1 29 29 GLN C C 29 177.046 177.046 176.575 0.471 25627
6417 1 13 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.222 0.007 25627
6418 1 13 . 1 1 29 29 GLN CB C 29 29.211 29.211 27.708 1.503 25627
6419 1 13 . 1 1 29 29 GLN H H 29 8.728 8.728 8.303 0.425 25627
6420 1 13 . 1 1 30 30 ALA N N 30 117.672 117.672 117.527 0.145 25627
6421 1 13 . 1 1 30 30 ALA HA H 30 4.129 4.129 4.212 -0.083 25627
6422 1 13 . 1 1 30 30 ALA C C 30 175.371 175.371 177.338 -1.967 25627
6423 1 13 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.364 -0.151 25627
6424 1 13 . 1 1 30 30 ALA CB C 30 19.196 19.196 19.345 -0.149 25627
6425 1 13 . 1 1 30 30 ALA H H 30 7.120 7.120 7.149 -0.029 25627
6426 1 13 . 1 1 31 31 GLY N N 31 103.200 103.200 103.572 -0.372 25627
6427 1 13 . 1 1 31 31 GLY C C 31 173.625 173.625 173.826 -0.201 25627
6428 1 13 . 1 1 31 31 GLY CA C 31 45.308 45.308 45.115 0.193 25627
6429 1 13 . 1 1 31 31 GLY H H 31 7.474 7.474 7.799 -0.325 25627
6430 1 13 . 1 1 32 32 TYR N N 32 121.303 121.303 121.043 0.260 25627
6431 1 13 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.792 0.145 25627
6432 1 13 . 1 1 32 32 TYR C C 32 174.419 174.419 175.691 -1.272 25627
6433 1 13 . 1 1 32 32 TYR CA C 32 56.212 56.212 56.275 -0.063 25627
6434 1 13 . 1 1 32 32 TYR CB C 32 42.414 42.414 39.806 2.608 25627
6435 1 13 . 1 1 32 32 TYR H H 32 8.403 8.403 8.433 -0.030 25627
6436 1 13 . 1 1 33 33 ARG N N 33 118.245 118.245 120.129 -1.884 25627
6437 1 13 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.995 -0.044 25627
6438 1 13 . 1 1 33 33 ARG C C 33 175.618 175.618 174.920 0.698 25627
6439 1 13 . 1 1 33 33 ARG CA C 33 60.574 60.574 56.851 3.723 25627
6440 1 13 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.391 1.594 25627
6441 1 13 . 1 1 33 33 ARG H H 33 9.571 9.571 8.656 0.915 25627
6442 1 13 . 1 1 34 34 ASP N N 34 105.630 105.630 114.866 -9.236 25627
6443 1 13 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.158 -0.335 25627
6444 1 13 . 1 1 34 34 ASP C C 34 174.754 174.754 175.738 -0.984 25627
6445 1 13 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.763 -0.498 25627
6446 1 13 . 1 1 34 34 ASP CB C 34 39.819 39.819 41.184 -1.365 25627
6447 1 13 . 1 1 34 34 ASP H H 34 6.995 6.995 7.741 -0.746 25627
6448 1 13 . 1 1 35 35 GLU N N 35 118.215 118.215 118.062 0.153 25627
6449 1 13 . 1 1 35 35 GLU HA H 35 2.903 2.903 4.364 -1.461 25627
6450 1 13 . 1 1 35 35 GLU C C 35 177.043 177.043 178.641 -1.598 25627
6451 1 13 . 1 1 35 35 GLU CA C 35 58.601 58.601 60.083 -1.482 25627
6452 1 13 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.533 0.580 25627
6453 1 13 . 1 1 35 35 GLU H H 35 7.818 7.818 8.385 -0.567 25627
6454 1 13 . 1 1 36 36 ILE N N 36 118.404 118.404 119.313 -0.909 25627
6455 1 13 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.730 -0.309 25627
6456 1 13 . 1 1 36 36 ILE C C 36 179.143 179.143 178.281 0.862 25627
6457 1 13 . 1 1 36 36 ILE CA C 36 64.460 64.460 64.934 -0.474 25627
6458 1 13 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.881 -1.379 25627
6459 1 13 . 1 1 36 36 ILE H H 36 6.833 6.833 7.513 -0.680 25627
6460 1 13 . 1 1 37 37 GLU N N 37 120.573 120.573 119.826 0.747 25627
6461 1 13 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.145 -0.139 25627
6462 1 13 . 1 1 37 37 GLU C C 37 178.417 178.417 178.667 -0.250 25627
6463 1 13 . 1 1 37 37 GLU CA C 37 59.424 59.424 59.035 0.389 25627
6464 1 13 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.255 0.644 25627
6465 1 13 . 1 1 37 37 GLU H H 37 8.463 8.463 8.253 0.210 25627
6466 1 13 . 1 1 38 38 TYR N N 38 117.942 117.942 121.618 -3.676 25627
6467 1 13 . 1 1 38 38 TYR HA H 38 3.483 3.483 4.232 -0.749 25627
6468 1 13 . 1 1 38 38 TYR C C 38 176.772 176.772 177.823 -1.051 25627
6469 1 13 . 1 1 38 38 TYR CA C 38 62.767 62.767 59.808 2.959 25627
6470 1 13 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.226 1.753 25627
6471 1 13 . 1 1 38 38 TYR H H 38 7.949 7.949 8.207 -0.258 25627
6472 1 13 . 1 1 39 39 LYS N N 39 115.539 115.539 117.908 -2.369 25627
6473 1 13 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.600 0.048 25627
6474 1 13 . 1 1 39 39 LYS C C 39 179.543 179.543 179.116 0.427 25627
6475 1 13 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.676 0.971 25627
6476 1 13 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.986 0.236 25627
6477 1 13 . 1 1 39 39 LYS H H 39 8.287 8.287 8.253 0.034 25627
6478 1 13 . 1 1 40 40 GLN N N 40 118.265 118.265 119.475 -1.210 25627
6479 1 13 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.061 -0.050 25627
6480 1 13 . 1 1 40 40 GLN C C 40 178.263 178.263 178.055 0.208 25627
6481 1 13 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.849 -0.096 25627
6482 1 13 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.684 -0.108 25627
6483 1 13 . 1 1 40 40 GLN H H 40 7.605 7.605 7.675 -0.070 25627
6484 1 13 . 1 1 41 41 VAL N N 41 118.627 118.627 118.918 -0.291 25627
6485 1 13 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.831 -0.069 25627
6486 1 13 . 1 1 41 41 VAL C C 41 178.092 178.092 177.861 0.231 25627
6487 1 13 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.818 -0.109 25627
6488 1 13 . 1 1 41 41 VAL CB C 41 32.642 32.642 32.043 0.599 25627
6489 1 13 . 1 1 41 41 VAL H H 41 8.470 8.470 8.262 0.208 25627
6490 1 13 . 1 1 42 42 LYS N N 42 115.117 115.117 116.452 -1.335 25627
6491 1 13 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.497 -0.247 25627
6492 1 13 . 1 1 42 42 LYS C C 42 176.102 176.102 175.784 0.318 25627
6493 1 13 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.845 -0.944 25627
6494 1 13 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.641 -1.476 25627
6495 1 13 . 1 1 42 42 LYS H H 42 8.263 8.263 7.616 0.647 25627
6496 1 13 . 1 1 43 43 GLN N N 43 116.108 116.108 116.911 -0.803 25627
6497 1 13 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.993 -0.025 25627
6498 1 13 . 1 1 43 43 GLN C C 43 175.125 175.125 175.274 -0.149 25627
6499 1 13 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.684 -0.129 25627
6500 1 13 . 1 1 43 43 GLN CB C 43 25.912 25.912 26.177 -0.265 25627
6501 1 13 . 1 1 43 43 GLN H H 43 7.717 7.717 7.924 -0.207 25627
6502 1 13 . 1 1 44 44 VAL N N 44 110.285 110.285 112.656 -2.371 25627
6503 1 13 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.405 0.153 25627
6504 1 13 . 1 1 44 44 VAL C C 44 175.431 175.431 174.461 0.970 25627
6505 1 13 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.846 -0.606 25627
6506 1 13 . 1 1 44 44 VAL CB C 44 34.732 34.732 33.498 1.234 25627
6507 1 13 . 1 1 44 44 VAL H H 44 6.817 6.817 7.767 -0.950 25627
6508 1 13 . 1 1 45 45 ALA N N 45 123.422 123.422 121.924 1.498 25627
6509 1 13 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.609 -0.254 25627
6510 1 13 . 1 1 45 45 ALA C C 45 177.543 177.543 176.118 1.425 25627
6511 1 13 . 1 1 45 45 ALA CA C 45 52.821 52.821 51.838 0.983 25627
6512 1 13 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.212 0.600 25627
6513 1 13 . 1 1 45 45 ALA H H 45 8.571 8.571 7.999 0.572 25627
6514 1 13 . 1 1 46 46 MET N N 46 114.808 114.808 116.924 -2.116 25627
6515 1 13 . 1 1 46 46 MET HA H 46 4.724 4.724 4.779 -0.055 25627
6516 1 13 . 1 1 46 46 MET C C 46 173.698 173.698 174.017 -0.319 25627
6517 1 13 . 1 1 46 46 MET CA C 46 54.230 54.230 54.912 -0.682 25627
6518 1 13 . 1 1 46 46 MET CB C 46 34.793 34.793 34.881 -0.088 25627
6519 1 13 . 1 1 46 46 MET H H 46 7.657 7.657 7.651 0.006 25627
6520 1 13 . 1 1 47 47 VAL N N 47 120.757 120.757 122.268 -1.511 25627
6521 1 13 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.408 -0.129 25627
6522 1 13 . 1 1 47 47 VAL C C 47 174.985 174.985 175.236 -0.251 25627
6523 1 13 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.345 -0.309 25627
6524 1 13 . 1 1 47 47 VAL CB C 47 33.826 33.826 34.324 -0.498 25627
6525 1 13 . 1 1 47 47 VAL H H 47 8.459 8.459 8.351 0.108 25627
6526 1 13 . 1 1 48 48 ASP N N 48 126.251 126.251 127.944 -1.693 25627
6527 1 13 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.649 -0.176 25627
6528 1 13 . 1 1 48 48 ASP C C 48 175.819 175.819 175.038 0.781 25627
6529 1 13 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.516 0.956 25627
6530 1 13 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.382 0.752 25627
6531 1 13 . 1 1 48 48 ASP H H 48 8.929 8.929 8.728 0.201 25627
6532 1 13 . 1 1 49 49 ARG N N 49 122.995 122.995 120.616 2.379 25627
6533 1 13 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.342 -0.583 25627
6534 1 13 . 1 1 49 49 ARG C C 49 176.363 176.363 175.131 1.232 25627
6535 1 13 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.422 0.192 25627
6536 1 13 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.760 -0.290 25627
6537 1 13 . 1 1 49 49 ARG H H 49 8.534 8.534 8.236 0.298 25627
6538 1 13 . 1 1 50 50 TRP N N 50 125.191 125.191 121.698 3.493 25627
6539 1 13 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.184 -0.520 25627
6540 1 13 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.389 0.206 25627
6541 1 13 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.171 -0.058 25627
6542 1 13 . 1 1 50 50 TRP H H 50 9.111 9.111 8.385 0.726 25627
6543 1 13 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.257 0.088 25627
6544 1 13 . 1 1 51 51 PRO C C 51 178.698 178.698 177.374 1.324 25627
6545 1 13 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.272 -0.698 25627
6546 1 13 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.081 0.081 25627
6547 1 13 . 1 1 52 52 GLU N N 52 116.570 116.570 118.677 -2.107 25627
6548 1 13 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.184 -0.214 25627
6549 1 13 . 1 1 52 52 GLU C C 52 178.031 178.031 177.835 0.196 25627
6550 1 13 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.800 1.958 25627
6551 1 13 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.683 -0.070 25627
6552 1 13 . 1 1 52 52 GLU H H 52 9.951 9.951 8.874 1.077 25627
6553 1 13 . 1 1 53 53 THR N N 53 103.788 103.788 108.108 -4.320 25627
6554 1 13 . 1 1 53 53 THR HA H 53 4.135 4.135 4.381 -0.246 25627
6555 1 13 . 1 1 53 53 THR C C 53 175.731 175.731 175.368 0.363 25627
6556 1 13 . 1 1 53 53 THR CA C 53 60.427 60.427 62.084 -1.657 25627
6557 1 13 . 1 1 53 53 THR CB C 53 70.762 70.762 70.767 -0.005 25627
6558 1 13 . 1 1 53 53 THR H H 53 7.120 7.120 7.696 -0.576 25627
6559 1 13 . 1 1 54 54 GLY N N 54 109.195 109.195 110.979 -1.784 25627
6560 1 13 . 1 1 54 54 GLY C C 54 174.593 174.593 173.826 0.767 25627
6561 1 13 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.257 0.491 25627
6562 1 13 . 1 1 54 54 GLY H H 54 8.227 8.227 8.278 -0.051 25627
6563 1 13 . 1 1 55 55 TYR N N 55 119.038 119.038 118.780 0.258 25627
6564 1 13 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.531 1.174 25627
6565 1 13 . 1 1 55 55 TYR C C 55 177.556 177.556 176.677 0.879 25627
6566 1 13 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.832 -4.102 25627
6567 1 13 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.535 -0.794 25627
6568 1 13 . 1 1 55 55 TYR H H 55 7.353 7.353 7.415 -0.062 25627
6569 1 13 . 1 1 56 56 VAL N N 56 120.089 120.089 121.348 -1.259 25627
6570 1 13 . 1 1 56 56 VAL HA H 56 3.613 3.613 3.938 -0.325 25627
6571 1 13 . 1 1 56 56 VAL C C 56 174.564 174.564 176.664 -2.100 25627
6572 1 13 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.596 0.171 25627
6573 1 13 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.763 1.004 25627
6574 1 13 . 1 1 56 56 VAL H H 56 8.252 8.252 9.109 -0.857 25627
6575 1 13 . 1 1 57 57 LYS N N 57 127.233 127.233 128.312 -1.079 25627
6576 1 13 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.700 -0.252 25627
6577 1 13 . 1 1 57 57 LYS C C 57 175.256 175.256 176.281 -1.025 25627
6578 1 13 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.231 -1.248 25627
6579 1 13 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.543 1.707 25627
6580 1 13 . 1 1 57 57 LYS H H 57 9.005 9.005 9.247 -0.242 25627
6581 1 13 . 1 1 58 58 LYS N N 58 115.918 115.918 113.907 2.011 25627
6582 1 13 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.141 0.229 25627
6583 1 13 . 1 1 58 58 LYS C C 58 174.030 174.030 174.299 -0.269 25627
6584 1 13 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.080 -0.226 25627
6585 1 13 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.342 -0.519 25627
6586 1 13 . 1 1 58 58 LYS H H 58 6.921 6.921 7.528 -0.607 25627
6587 1 13 . 1 1 59 59 LEU N N 59 121.666 121.666 121.624 0.042 25627
6588 1 13 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.119 0.530 25627
6589 1 13 . 1 1 59 59 LEU C C 59 174.451 174.451 174.681 -0.230 25627
6590 1 13 . 1 1 59 59 LEU CA C 59 53.472 53.472 53.622 -0.150 25627
6591 1 13 . 1 1 59 59 LEU CB C 59 46.939 46.939 45.519 1.420 25627
6592 1 13 . 1 1 59 59 LEU H H 59 8.793 8.793 8.538 0.255 25627
6593 1 13 . 1 1 60 60 GLN N N 60 121.710 121.710 124.188 -2.478 25627
6594 1 13 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.179 0.257 25627
6595 1 13 . 1 1 60 60 GLN C C 60 176.636 176.636 175.318 1.318 25627
6596 1 13 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.854 -0.937 25627
6597 1 13 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.136 1.200 25627
6598 1 13 . 1 1 60 60 GLN H H 60 8.879 8.879 8.106 0.773 25627
6599 1 13 . 1 1 61 61 ARG N N 61 126.172 126.172 124.608 1.564 25627
6600 1 13 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.622 -0.079 25627
6601 1 13 . 1 1 61 61 ARG C C 61 178.315 178.315 177.813 0.502 25627
6602 1 13 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.792 1.781 25627
6603 1 13 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.998 0.903 25627
6604 1 13 . 1 1 61 61 ARG H H 61 9.387 9.387 8.686 0.701 25627
6605 1 13 . 1 1 62 62 ARG N N 62 123.754 123.754 120.623 3.131 25627
6606 1 13 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.096 -0.228 25627
6607 1 13 . 1 1 62 62 ARG C C 62 176.508 176.508 176.320 0.188 25627
6608 1 13 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.302 1.561 25627
6609 1 13 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.933 -0.469 25627
6610 1 13 . 1 1 62 62 ARG H H 62 9.385 9.385 8.611 0.774 25627
6611 1 13 . 1 1 63 63 ASP N N 63 116.155 116.155 118.192 -2.037 25627
6612 1 13 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.693 -0.262 25627
6613 1 13 . 1 1 63 63 ASP C C 63 176.163 176.163 175.307 0.856 25627
6614 1 13 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.756 -0.570 25627
6615 1 13 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.155 -0.399 25627
6616 1 13 . 1 1 63 63 ASP H H 63 7.505 7.505 8.219 -0.714 25627
6617 1 13 . 1 1 64 64 ASN N N 64 110.183 110.183 113.975 -3.792 25627
6618 1 13 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.263 -0.176 25627
6619 1 13 . 1 1 64 64 ASN C C 64 175.432 175.432 173.620 1.812 25627
6620 1 13 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.333 1.097 25627
6621 1 13 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.226 -0.192 25627
6622 1 13 . 1 1 64 64 ASN H H 64 7.791 7.791 8.263 -0.472 25627
6623 1 13 . 1 1 65 65 THR N N 65 112.736 112.736 110.255 2.481 25627
6624 1 13 . 1 1 65 65 THR HA H 65 4.414 4.414 4.592 -0.178 25627
6625 1 13 . 1 1 65 65 THR C C 65 173.653 173.653 173.689 -0.036 25627
6626 1 13 . 1 1 65 65 THR CA C 65 62.342 62.342 60.475 1.867 25627
6627 1 13 . 1 1 65 65 THR CB C 65 70.946 70.946 70.999 -0.053 25627
6628 1 13 . 1 1 65 65 THR H H 65 7.921 7.921 7.225 0.696 25627
6629 1 13 . 1 1 66 66 PHE N N 66 118.850 118.850 125.101 -6.251 25627
6630 1 13 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.388 0.756 25627
6631 1 13 . 1 1 66 66 PHE C C 66 174.762 174.762 174.882 -0.120 25627
6632 1 13 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.708 -0.229 25627
6633 1 13 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.501 2.762 25627
6634 1 13 . 1 1 66 66 PHE H H 66 8.926 8.926 8.966 -0.040 25627
6635 1 13 . 1 1 67 67 PHE N N 67 124.259 124.259 126.761 -2.502 25627
6636 1 13 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.798 -0.134 25627
6637 1 13 . 1 1 67 67 PHE C C 67 173.553 173.553 173.098 0.455 25627
6638 1 13 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.274 -0.370 25627
6639 1 13 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.422 -0.084 25627
6640 1 13 . 1 1 67 67 PHE H H 67 9.142 9.142 8.250 0.892 25627
6641 1 13 . 1 1 68 68 TYR N N 68 122.881 122.881 126.439 -3.558 25627
6642 1 13 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.579 0.292 25627
6643 1 13 . 1 1 68 68 TYR C C 68 174.835 174.835 175.156 -0.321 25627
6644 1 13 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.023 -0.630 25627
6645 1 13 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.967 1.222 25627
6646 1 13 . 1 1 68 68 TYR H H 68 8.064 8.064 8.087 -0.023 25627
6647 1 13 . 1 1 69 69 TYR N N 69 118.675 118.675 124.123 -5.448 25627
6648 1 13 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.781 0.244 25627
6649 1 13 . 1 1 69 69 TYR C C 69 177.181 177.181 175.479 1.702 25627
6650 1 13 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.401 -0.489 25627
6651 1 13 . 1 1 69 69 TYR CB C 69 43.423 43.423 40.960 2.463 25627
6652 1 13 . 1 1 69 69 TYR H H 69 8.384 8.384 8.477 -0.093 25627
6653 1 13 . 1 1 70 70 ASN N N 70 122.917 122.917 119.235 3.682 25627
6654 1 13 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.849 -0.054 25627
6655 1 13 . 1 1 70 70 ASN C C 70 175.433 175.433 175.815 -0.382 25627
6656 1 13 . 1 1 70 70 ASN CA C 70 53.359 53.359 51.882 1.477 25627
6657 1 13 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.514 -0.138 25627
6658 1 13 . 1 1 70 70 ASN H H 70 9.832 9.832 8.648 1.184 25627
6659 1 13 . 1 1 71 71 LYS N N 71 123.116 123.116 124.190 -1.074 25627
6660 1 13 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.237 -1.998 25627
6661 1 13 . 1 1 71 71 LYS C C 71 175.495 175.495 177.968 -2.473 25627
6662 1 13 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.586 -0.165 25627
6663 1 13 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.081 -0.004 25627
6664 1 13 . 1 1 71 71 LYS H H 71 8.047 8.047 8.680 -0.633 25627
6665 1 13 . 1 1 72 72 GLU N N 72 113.242 113.242 120.726 -7.484 25627
6666 1 13 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.339 0.039 25627
6667 1 13 . 1 1 72 72 GLU C C 72 175.018 175.018 175.728 -0.710 25627
6668 1 13 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.595 -0.788 25627
6669 1 13 . 1 1 72 72 GLU CB C 72 30.432 30.432 28.248 2.183 25627
6670 1 13 . 1 1 72 72 GLU H H 72 7.335 7.335 8.605 -1.270 25627
6671 1 13 . 1 1 73 73 ARG N N 73 118.120 118.120 119.933 -1.813 25627
6672 1 13 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.974 -0.620 25627
6673 1 13 . 1 1 73 73 ARG C C 73 175.859 175.859 176.798 -0.939 25627
6674 1 13 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.195 0.479 25627
6675 1 13 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.194 0.940 25627
6676 1 13 . 1 1 73 73 ARG H H 73 8.174 8.174 7.728 0.446 25627
6677 1 13 . 1 1 74 74 GLU N N 74 127.360 127.360 123.040 4.320 25627
6678 1 13 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.256 0.237 25627
6679 1 13 . 1 1 74 74 GLU C C 74 176.415 176.415 175.246 1.169 25627
6680 1 13 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.598 1.463 25627
6681 1 13 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.720 3.742 25627
6682 1 13 . 1 1 74 74 GLU H H 74 10.788 10.788 8.457 2.331 25627
6683 1 13 . 1 1 75 75 CYS N N 75 123.441 123.441 118.778 4.663 25627
6684 1 13 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.201 -0.725 25627
6685 1 13 . 1 1 75 75 CYS C C 75 174.198 174.198 173.829 0.369 25627
6686 1 13 . 1 1 75 75 CYS CA C 75 59.022 59.022 57.391 1.631 25627
6687 1 13 . 1 1 75 75 CYS CB C 75 26.222 26.222 29.325 -3.103 25627
6688 1 13 . 1 1 75 75 CYS H H 75 9.198 9.198 7.440 1.758 25627
6689 1 13 . 1 1 76 76 GLU N N 76 131.177 131.177 124.739 6.438 25627
6690 1 13 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.339 -0.344 25627
6691 1 13 . 1 1 76 76 GLU C C 76 177.122 177.122 175.639 1.483 25627
6692 1 13 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.784 2.032 25627
6693 1 13 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.145 -1.477 25627
6694 1 13 . 1 1 76 76 GLU H H 76 8.452 8.452 8.323 0.129 25627
6695 1 13 . 1 1 77 77 ASP N N 77 123.154 123.154 121.773 1.381 25627
6696 1 13 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.418 -0.082 25627
6697 1 13 . 1 1 77 77 ASP C C 77 179.545 179.545 177.479 2.066 25627
6698 1 13 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.308 1.302 25627
6699 1 13 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.768 -0.819 25627
6700 1 13 . 1 1 77 77 ASP H H 77 9.067 9.067 8.854 0.213 25627
6701 1 13 . 1 1 78 78 LYS N N 78 116.055 116.055 118.701 -2.646 25627
6702 1 13 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.011 0.287 25627
6703 1 13 . 1 1 78 78 LYS C C 78 176.146 176.146 178.744 -2.598 25627
6704 1 13 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.322 -0.838 25627
6705 1 13 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.386 -0.546 25627
6706 1 13 . 1 1 78 78 LYS H H 78 8.664 8.664 8.246 0.418 25627
6707 1 13 . 1 1 79 79 GLU N N 79 117.481 117.481 119.575 -2.094 25627
6708 1 13 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.195 0.252 25627
6709 1 13 . 1 1 79 79 GLU C C 79 177.666 177.666 179.052 -1.386 25627
6710 1 13 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.871 -3.266 25627
6711 1 13 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.566 1.422 25627
6712 1 13 . 1 1 79 79 GLU H H 79 7.735 7.735 8.471 -0.736 25627
6713 1 13 . 1 1 80 80 VAL N N 80 121.192 121.192 120.473 0.719 25627
6714 1 13 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.623 -0.380 25627
6715 1 13 . 1 1 80 80 VAL C C 80 176.731 176.731 177.887 -1.156 25627
6716 1 13 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.698 0.177 25627
6717 1 13 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.789 0.384 25627
6718 1 13 . 1 1 80 80 VAL H H 80 7.274 7.274 7.671 -0.397 25627
6719 1 13 . 1 1 81 81 HIS N N 81 112.861 112.861 115.604 -2.743 25627
6720 1 13 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.348 0.300 25627
6721 1 13 . 1 1 81 81 HIS C C 81 175.330 175.330 176.740 -1.410 25627
6722 1 13 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.755 -2.009 25627
6723 1 13 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.036 -0.856 25627
6724 1 13 . 1 1 81 81 HIS H H 81 8.157 8.157 7.858 0.299 25627
6725 1 13 . 1 1 82 82 LYS N N 82 117.850 117.850 118.213 -0.363 25627
6726 1 13 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.243 -0.232 25627
6727 1 13 . 1 1 82 82 LYS C C 82 177.430 177.430 177.468 -0.038 25627
6728 1 13 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.323 -0.732 25627
6729 1 13 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.386 0.697 25627
6730 1 13 . 1 1 82 82 LYS H H 82 7.264 7.264 7.598 -0.334 25627
6731 1 13 . 1 1 83 83 VAL N N 83 123.619 123.619 122.122 1.497 25627
6732 1 13 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.040 -0.160 25627
6733 1 13 . 1 1 83 83 VAL C C 83 175.239 175.239 175.076 0.163 25627
6734 1 13 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.972 0.840 25627
6735 1 13 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.793 -1.245 25627
6736 1 13 . 1 1 83 83 VAL H H 83 8.126 8.126 7.808 0.318 25627
6737 1 13 . 1 1 84 84 LYS N N 84 128.994 128.994 126.227 2.767 25627
6738 1 13 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.879 -0.426 25627
6739 1 13 . 1 1 84 84 LYS C C 84 174.399 174.399 175.509 -1.110 25627
6740 1 13 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.477 1.339 25627
6741 1 13 . 1 1 84 84 LYS CB C 84 34.106 34.106 35.320 -1.214 25627
6742 1 13 . 1 1 84 84 LYS H H 84 9.031 9.031 7.970 1.061 25627
6743 1 13 . 1 1 85 85 VAL N N 85 120.723 120.723 120.953 -0.230 25627
6744 1 13 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.596 -0.566 25627
6745 1 13 . 1 1 85 85 VAL C C 85 175.482 175.482 174.415 1.067 25627
6746 1 13 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.252 0.390 25627
6747 1 13 . 1 1 85 85 VAL CB C 85 32.488 32.488 34.575 -2.087 25627
6748 1 13 . 1 1 85 85 VAL H H 85 8.299 8.299 9.177 -0.878 25627
6749 1 13 . 1 1 86 86 TYR N N 86 126.214 126.214 128.038 -1.824 25627
6750 1 13 . 1 1 86 86 TYR HA H 86 4.726 4.726 5.151 -0.425 25627
6751 1 13 . 1 1 86 86 TYR C C 86 175.214 175.214 174.435 0.779 25627
6752 1 13 . 1 1 86 86 TYR CA C 86 58.540 58.540 56.297 2.243 25627
6753 1 13 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.548 1.504 25627
6754 1 13 . 1 1 86 86 TYR H H 86 8.077 8.077 8.822 -0.745 25627
6755 1 13 . 1 1 87 87 VAL N N 87 123.680 123.680 124.344 -0.664 25627
6756 1 13 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.142 0.054 25627
6757 1 13 . 1 1 87 87 VAL C C 87 174.322 174.322 174.662 -0.340 25627
6758 1 13 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.325 2.576 25627
6759 1 13 . 1 1 87 87 VAL CB C 87 33.779 33.779 35.273 -1.494 25627
6760 1 13 . 1 1 87 87 VAL H H 87 8.133 8.133 8.669 -0.536 25627
6761 1 14 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.390 -0.260 25627
6762 1 14 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 58.173 -3.325 25627
6763 1 14 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 30.288 1.385 25627
6764 1 14 . 1 1 0 0 MET N N 0 120.413 120.413 116.614 3.799 25627
6765 1 14 . 1 1 0 0 MET HA H 0 4.350 4.350 4.415 -0.065 25627
6766 1 14 . 1 1 0 0 MET C C 0 175.829 175.829 174.675 1.154 25627
6767 1 14 . 1 1 0 0 MET CA C 0 55.134 55.134 55.663 -0.529 25627
6768 1 14 . 1 1 0 0 MET CB C 0 32.391 32.391 34.507 -2.116 25627
6769 1 14 . 1 1 0 0 MET H H 0 8.332 8.332 8.146 0.186 25627
6770 1 14 . 1 1 1 1 MET N N 1 121.120 121.120 120.668 0.452 25627
6771 1 14 . 1 1 1 1 MET HA H 1 4.443 4.443 4.665 -0.222 25627
6772 1 14 . 1 1 1 1 MET C C 1 175.772 175.772 174.596 1.176 25627
6773 1 14 . 1 1 1 1 MET CA C 1 55.446 55.446 55.047 0.399 25627
6774 1 14 . 1 1 1 1 MET CB C 1 32.774 32.774 34.608 -1.834 25627
6775 1 14 . 1 1 1 1 MET H H 1 8.287 8.287 7.832 0.455 25627
6776 1 14 . 1 1 2 2 ALA N N 2 125.673 125.673 127.640 -1.967 25627
6777 1 14 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.546 -0.179 25627
6778 1 14 . 1 1 2 2 ALA C C 2 177.821 177.821 178.155 -0.334 25627
6779 1 14 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.319 0.249 25627
6780 1 14 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.796 -0.559 25627
6781 1 14 . 1 1 2 2 ALA H H 2 8.373 8.373 8.421 -0.048 25627
6782 1 14 . 1 1 3 3 THR N N 3 113.038 113.038 114.331 -1.293 25627
6783 1 14 . 1 1 3 3 THR HA H 3 4.354 4.354 4.118 0.236 25627
6784 1 14 . 1 1 3 3 THR C C 3 174.577 174.577 175.160 -0.583 25627
6785 1 14 . 1 1 3 3 THR CA C 3 61.679 61.679 62.511 -0.832 25627
6786 1 14 . 1 1 3 3 THR CB C 3 69.864 69.864 69.098 0.766 25627
6787 1 14 . 1 1 3 3 THR H H 3 8.099 8.099 8.000 0.099 25627
6788 1 14 . 1 1 4 4 SER N N 4 117.235 117.235 118.711 -1.476 25627
6789 1 14 . 1 1 4 4 SER HA H 4 4.440 4.440 4.322 0.118 25627
6790 1 14 . 1 1 4 4 SER C C 4 173.887 173.887 173.802 0.085 25627
6791 1 14 . 1 1 4 4 SER CA C 4 58.314 58.314 58.643 -0.329 25627
6792 1 14 . 1 1 4 4 SER CB C 4 63.951 63.951 62.623 1.328 25627
6793 1 14 . 1 1 4 4 SER H H 4 8.238 8.238 8.204 0.034 25627
6794 1 14 . 1 1 5 5 ASP N N 5 122.543 122.543 120.178 2.365 25627
6795 1 14 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.677 -0.094 25627
6796 1 14 . 1 1 5 5 ASP C C 5 175.690 175.690 174.878 0.812 25627
6797 1 14 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.865 0.281 25627
6798 1 14 . 1 1 5 5 ASP CB C 5 41.166 41.166 41.643 -0.477 25627
6799 1 14 . 1 1 5 5 ASP H H 5 8.321 8.321 8.304 0.017 25627
6800 1 14 . 1 1 6 6 VAL N N 6 121.235 121.235 120.407 0.828 25627
6801 1 14 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.292 -0.194 25627
6802 1 14 . 1 1 6 6 VAL C C 6 175.211 175.211 175.740 -0.529 25627
6803 1 14 . 1 1 6 6 VAL CA C 6 62.322 62.322 61.889 0.433 25627
6804 1 14 . 1 1 6 6 VAL CB C 6 32.581 32.581 31.997 0.584 25627
6805 1 14 . 1 1 6 6 VAL H H 6 7.942 7.942 8.328 -0.386 25627
6806 1 14 . 1 1 7 7 LYS N N 7 125.356 125.356 129.033 -3.677 25627
6807 1 14 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.057 -0.746 25627
6808 1 14 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.471 2.023 25627
6809 1 14 . 1 1 7 7 LYS H H 7 8.383 8.383 8.378 0.005 25627
6810 1 14 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.499 -0.540 25627
6811 1 14 . 1 1 8 8 PRO C C 8 176.346 176.346 176.297 0.049 25627
6812 1 14 . 1 1 8 8 PRO CA C 8 62.993 62.993 62.945 0.048 25627
6813 1 14 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.379 -0.376 25627
6814 1 14 . 1 1 9 9 LYS N N 9 122.609 122.609 122.636 -0.027 25627
6815 1 14 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.223 0.064 25627
6816 1 14 . 1 1 9 9 LYS C C 9 177.164 177.164 176.756 0.408 25627
6817 1 14 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.649 -0.427 25627
6818 1 14 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.546 0.416 25627
6819 1 14 . 1 1 9 9 LYS H H 9 9.393 9.393 8.728 0.665 25627
6820 1 14 . 1 1 10 10 SER N N 10 111.655 111.655 112.103 -0.448 25627
6821 1 14 . 1 1 10 10 SER HA H 10 4.563 4.563 4.680 -0.117 25627
6822 1 14 . 1 1 10 10 SER C C 10 171.697 171.697 172.126 -0.429 25627
6823 1 14 . 1 1 10 10 SER CA C 10 57.614 57.614 58.164 -0.550 25627
6824 1 14 . 1 1 10 10 SER CB C 10 64.687 64.687 66.194 -1.507 25627
6825 1 14 . 1 1 10 10 SER H H 10 7.846 7.846 7.751 0.095 25627
6826 1 14 . 1 1 11 11 ILE N N 11 121.054 121.054 121.057 -0.003 25627
6827 1 14 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.598 -0.067 25627
6828 1 14 . 1 1 11 11 ILE C C 11 175.460 175.460 175.081 0.379 25627
6829 1 14 . 1 1 11 11 ILE CA C 11 60.794 60.794 61.129 -0.335 25627
6830 1 14 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.774 -0.669 25627
6831 1 14 . 1 1 11 11 ILE H H 11 8.128 8.128 8.446 -0.318 25627
6832 1 14 . 1 1 12 12 SER N N 12 122.340 122.340 121.646 0.694 25627
6833 1 14 . 1 1 12 12 SER HA H 12 4.757 4.757 4.987 -0.230 25627
6834 1 14 . 1 1 12 12 SER C C 12 172.771 172.771 172.818 -0.047 25627
6835 1 14 . 1 1 12 12 SER CA C 12 56.498 56.498 56.166 0.332 25627
6836 1 14 . 1 1 12 12 SER CB C 12 65.418 65.418 65.037 0.381 25627
6837 1 14 . 1 1 12 12 SER H H 12 8.782 8.782 9.088 -0.306 25627
6838 1 14 . 1 1 13 13 ARG N N 13 119.603 119.603 120.281 -0.678 25627
6839 1 14 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.725 0.151 25627
6840 1 14 . 1 1 13 13 ARG C C 13 176.720 176.720 175.866 0.854 25627
6841 1 14 . 1 1 13 13 ARG CA C 13 54.308 54.308 55.228 -0.920 25627
6842 1 14 . 1 1 13 13 ARG CB C 13 31.754 31.754 32.441 -0.687 25627
6843 1 14 . 1 1 13 13 ARG H H 13 8.374 8.374 8.527 -0.153 25627
6844 1 14 . 1 1 14 14 ALA N N 14 127.004 127.004 128.606 -1.602 25627
6845 1 14 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.219 -0.109 25627
6846 1 14 . 1 1 14 14 ALA C C 14 176.523 176.523 176.433 0.090 25627
6847 1 14 . 1 1 14 14 ALA CA C 14 52.542 52.542 53.038 -0.497 25627
6848 1 14 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.736 0.351 25627
6849 1 14 . 1 1 14 14 ALA H H 14 8.725 8.725 8.288 0.437 25627
6850 1 14 . 1 1 15 15 LYS N N 15 117.157 117.157 120.437 -3.280 25627
6851 1 14 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.372 0.000 25627
6852 1 14 . 1 1 15 15 LYS C C 15 176.383 176.383 177.076 -0.693 25627
6853 1 14 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.358 -0.732 25627
6854 1 14 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.502 1.109 25627
6855 1 14 . 1 1 15 15 LYS H H 15 8.518 8.518 8.414 0.104 25627
6856 1 14 . 1 1 16 16 LYS N N 16 116.265 116.265 119.685 -3.420 25627
6857 1 14 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.535 0.040 25627
6858 1 14 . 1 1 16 16 LYS C C 16 174.584 174.584 174.451 0.133 25627
6859 1 14 . 1 1 16 16 LYS CA C 16 54.694 54.694 55.057 -0.363 25627
6860 1 14 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.545 1.059 25627
6861 1 14 . 1 1 16 16 LYS H H 16 7.429 7.429 7.535 -0.106 25627
6862 1 14 . 1 1 17 17 TRP N N 17 123.638 123.638 125.457 -1.819 25627
6863 1 14 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.470 -0.685 25627
6864 1 14 . 1 1 17 17 TRP C C 17 174.781 174.781 175.014 -0.233 25627
6865 1 14 . 1 1 17 17 TRP CA C 17 61.877 61.877 59.240 2.637 25627
6866 1 14 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.735 -0.814 25627
6867 1 14 . 1 1 17 17 TRP H H 17 9.412 9.412 8.556 0.856 25627
6868 1 14 . 1 1 18 18 SER N N 18 119.926 119.926 120.808 -0.882 25627
6869 1 14 . 1 1 18 18 SER HA H 18 3.831 3.831 3.778 0.053 25627
6870 1 14 . 1 1 18 18 SER C C 18 172.100 172.100 173.560 -1.460 25627
6871 1 14 . 1 1 18 18 SER CA C 18 56.830 56.830 56.737 0.093 25627
6872 1 14 . 1 1 18 18 SER CB C 18 66.241 66.241 65.037 1.204 25627
6873 1 14 . 1 1 18 18 SER H H 18 6.081 6.081 7.673 -1.592 25627
6874 1 14 . 1 1 19 19 GLU N N 19 120.673 120.673 124.176 -3.503 25627
6875 1 14 . 1 1 19 19 GLU HA H 19 3.647 3.647 4.000 -0.353 25627
6876 1 14 . 1 1 19 19 GLU C C 19 177.682 177.682 177.988 -0.306 25627
6877 1 14 . 1 1 19 19 GLU CA C 19 60.579 60.579 60.247 0.332 25627
6878 1 14 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.562 -0.939 25627
6879 1 14 . 1 1 19 19 GLU H H 19 9.355 9.355 8.704 0.651 25627
6880 1 14 . 1 1 20 20 GLU N N 20 117.979 117.979 117.196 0.783 25627
6881 1 14 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.044 0.180 25627
6882 1 14 . 1 1 20 20 GLU C C 20 179.454 179.454 178.830 0.624 25627
6883 1 14 . 1 1 20 20 GLU CA C 20 59.251 59.251 59.317 -0.066 25627
6884 1 14 . 1 1 20 20 GLU CB C 20 29.715 29.715 28.947 0.768 25627
6885 1 14 . 1 1 20 20 GLU H H 20 7.946 7.946 8.610 -0.664 25627
6886 1 14 . 1 1 21 21 ILE N N 21 121.560 121.560 120.423 1.137 25627
6887 1 14 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.906 -0.129 25627
6888 1 14 . 1 1 21 21 ILE C C 21 176.700 176.700 178.389 -1.689 25627
6889 1 14 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.844 -0.866 25627
6890 1 14 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.663 -0.569 25627
6891 1 14 . 1 1 21 21 ILE H H 21 7.122 7.122 7.110 0.012 25627
6892 1 14 . 1 1 22 22 GLU N N 22 121.372 121.372 120.606 0.766 25627
6893 1 14 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.959 0.040 25627
6894 1 14 . 1 1 22 22 GLU C C 22 178.416 178.416 178.950 -0.534 25627
6895 1 14 . 1 1 22 22 GLU CA C 22 59.018 59.018 59.996 -0.978 25627
6896 1 14 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.422 -1.270 25627
6897 1 14 . 1 1 22 22 GLU H H 22 8.017 8.017 8.518 -0.501 25627
6898 1 14 . 1 1 23 23 ASN N N 23 114.717 114.717 117.702 -2.985 25627
6899 1 14 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.552 0.185 25627
6900 1 14 . 1 1 23 23 ASN C C 23 177.565 177.565 177.712 -0.147 25627
6901 1 14 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.297 0.067 25627
6902 1 14 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.543 0.263 25627
6903 1 14 . 1 1 23 23 ASN H H 23 7.352 7.352 7.759 -0.407 25627
6904 1 14 . 1 1 24 24 LEU N N 24 122.083 122.083 120.960 1.123 25627
6905 1 14 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.931 0.472 25627
6906 1 14 . 1 1 24 24 LEU C C 24 178.487 178.487 179.052 -0.565 25627
6907 1 14 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.108 1.389 25627
6908 1 14 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.826 0.409 25627
6909 1 14 . 1 1 24 24 LEU H H 24 8.232 8.232 7.755 0.477 25627
6910 1 14 . 1 1 25 25 TYR N N 25 118.898 118.898 120.254 -1.356 25627
6911 1 14 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.123 -0.048 25627
6912 1 14 . 1 1 25 25 TYR C C 25 177.164 177.164 177.499 -0.335 25627
6913 1 14 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.432 0.109 25627
6914 1 14 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.280 -0.746 25627
6915 1 14 . 1 1 25 25 TYR H H 25 9.056 9.056 8.942 0.114 25627
6916 1 14 . 1 1 26 26 ARG N N 26 119.000 119.000 118.621 0.379 25627
6917 1 14 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.556 -0.198 25627
6918 1 14 . 1 1 26 26 ARG C C 26 179.709 179.709 178.725 0.984 25627
6919 1 14 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.337 0.932 25627
6920 1 14 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.565 -0.971 25627
6921 1 14 . 1 1 26 26 ARG H H 26 7.672 7.672 7.828 -0.156 25627
6922 1 14 . 1 1 27 27 PHE N N 27 119.640 119.640 120.392 -0.752 25627
6923 1 14 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.044 -0.174 25627
6924 1 14 . 1 1 27 27 PHE C C 27 178.542 178.542 177.844 0.698 25627
6925 1 14 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.258 2.174 25627
6926 1 14 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.664 -0.704 25627
6927 1 14 . 1 1 27 27 PHE H H 27 8.497 8.497 8.818 -0.321 25627
6928 1 14 . 1 1 28 28 GLN N N 28 120.400 120.400 118.340 2.060 25627
6929 1 14 . 1 1 28 28 GLN HA H 28 4.725 4.725 3.980 0.745 25627
6930 1 14 . 1 1 28 28 GLN C C 28 182.258 182.258 178.608 3.650 25627
6931 1 14 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.676 0.287 25627
6932 1 14 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.589 -1.828 25627
6933 1 14 . 1 1 28 28 GLN H H 28 8.995 8.995 8.629 0.366 25627
6934 1 14 . 1 1 29 29 GLN N N 29 122.649 122.649 117.570 5.079 25627
6935 1 14 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.859 0.097 25627
6936 1 14 . 1 1 29 29 GLN C C 29 177.046 177.046 177.856 -0.810 25627
6937 1 14 . 1 1 29 29 GLN CA C 29 58.229 58.229 57.949 0.280 25627
6938 1 14 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.108 1.103 25627
6939 1 14 . 1 1 29 29 GLN H H 29 8.728 8.728 7.884 0.844 25627
6940 1 14 . 1 1 30 30 ALA N N 30 117.672 117.672 118.230 -0.558 25627
6941 1 14 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.847 0.282 25627
6942 1 14 . 1 1 30 30 ALA C C 30 175.371 175.371 176.783 -1.412 25627
6943 1 14 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.791 -0.579 25627
6944 1 14 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.964 0.232 25627
6945 1 14 . 1 1 30 30 ALA H H 30 7.120 7.120 7.611 -0.491 25627
6946 1 14 . 1 1 31 31 GLY N N 31 103.200 103.200 102.522 0.678 25627
6947 1 14 . 1 1 31 31 GLY C C 31 173.625 173.625 173.984 -0.359 25627
6948 1 14 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.763 0.545 25627
6949 1 14 . 1 1 31 31 GLY H H 31 7.474 7.474 7.610 -0.136 25627
6950 1 14 . 1 1 32 32 TYR N N 32 121.303 121.303 121.293 0.010 25627
6951 1 14 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.821 0.116 25627
6952 1 14 . 1 1 32 32 TYR C C 32 174.419 174.419 175.660 -1.241 25627
6953 1 14 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.274 0.938 25627
6954 1 14 . 1 1 32 32 TYR CB C 32 42.414 42.414 39.291 3.123 25627
6955 1 14 . 1 1 32 32 TYR H H 32 8.403 8.403 7.945 0.458 25627
6956 1 14 . 1 1 33 33 ARG N N 33 118.245 118.245 118.815 -0.570 25627
6957 1 14 . 1 1 33 33 ARG HA H 33 3.951 3.951 4.033 -0.082 25627
6958 1 14 . 1 1 33 33 ARG C C 33 175.618 175.618 175.277 0.341 25627
6959 1 14 . 1 1 33 33 ARG CA C 33 60.574 60.574 56.902 3.672 25627
6960 1 14 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.759 1.226 25627
6961 1 14 . 1 1 33 33 ARG H H 33 9.571 9.571 8.648 0.923 25627
6962 1 14 . 1 1 34 34 ASP N N 34 105.630 105.630 116.102 -10.472 25627
6963 1 14 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.226 -0.403 25627
6964 1 14 . 1 1 34 34 ASP C C 34 174.754 174.754 175.903 -1.149 25627
6965 1 14 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.576 -0.311 25627
6966 1 14 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.841 -3.022 25627
6967 1 14 . 1 1 34 34 ASP H H 34 6.995 6.995 7.817 -0.822 25627
6968 1 14 . 1 1 35 35 GLU N N 35 118.215 118.215 120.306 -2.091 25627
6969 1 14 . 1 1 35 35 GLU HA H 35 2.903 2.903 4.316 -1.413 25627
6970 1 14 . 1 1 35 35 GLU C C 35 177.043 177.043 178.475 -1.432 25627
6971 1 14 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.821 -1.220 25627
6972 1 14 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.359 0.754 25627
6973 1 14 . 1 1 35 35 GLU H H 35 7.818 7.818 8.465 -0.647 25627
6974 1 14 . 1 1 36 36 ILE N N 36 118.404 118.404 120.904 -2.500 25627
6975 1 14 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.663 -0.242 25627
6976 1 14 . 1 1 36 36 ILE C C 36 179.143 179.143 178.230 0.913 25627
6977 1 14 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.249 -0.789 25627
6978 1 14 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.664 -1.162 25627
6979 1 14 . 1 1 36 36 ILE H H 36 6.833 6.833 7.701 -0.868 25627
6980 1 14 . 1 1 37 37 GLU N N 37 120.573 120.573 119.684 0.889 25627
6981 1 14 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.007 -0.001 25627
6982 1 14 . 1 1 37 37 GLU C C 37 178.417 178.417 178.323 0.094 25627
6983 1 14 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.822 0.602 25627
6984 1 14 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.082 0.816 25627
6985 1 14 . 1 1 37 37 GLU H H 37 8.463 8.463 8.096 0.367 25627
6986 1 14 . 1 1 38 38 TYR N N 38 117.942 117.942 121.115 -3.173 25627
6987 1 14 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.368 0.115 25627
6988 1 14 . 1 1 38 38 TYR C C 38 176.772 176.772 177.549 -0.777 25627
6989 1 14 . 1 1 38 38 TYR CA C 38 62.767 62.767 59.304 3.463 25627
6990 1 14 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.139 1.840 25627
6991 1 14 . 1 1 38 38 TYR H H 38 7.949 7.949 7.945 0.004 25627
6992 1 14 . 1 1 39 39 LYS N N 39 115.539 115.539 117.677 -2.138 25627
6993 1 14 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.521 0.127 25627
6994 1 14 . 1 1 39 39 LYS C C 39 179.543 179.543 179.018 0.525 25627
6995 1 14 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.627 1.020 25627
6996 1 14 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.890 0.333 25627
6997 1 14 . 1 1 39 39 LYS H H 39 8.287 8.287 8.424 -0.137 25627
6998 1 14 . 1 1 40 40 GLN N N 40 118.265 118.265 119.138 -0.873 25627
6999 1 14 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.018 -0.007 25627
7000 1 14 . 1 1 40 40 GLN C C 40 178.263 178.263 177.817 0.446 25627
7001 1 14 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.684 0.069 25627
7002 1 14 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.620 -0.044 25627
7003 1 14 . 1 1 40 40 GLN H H 40 7.605 7.605 7.462 0.143 25627
7004 1 14 . 1 1 41 41 VAL N N 41 118.627 118.627 119.127 -0.500 25627
7005 1 14 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.631 0.131 25627
7006 1 14 . 1 1 41 41 VAL C C 41 178.092 178.092 177.684 0.408 25627
7007 1 14 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.376 0.333 25627
7008 1 14 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.907 0.734 25627
7009 1 14 . 1 1 41 41 VAL H H 41 8.470 8.470 7.788 0.682 25627
7010 1 14 . 1 1 42 42 LYS N N 42 115.117 115.117 115.765 -0.648 25627
7011 1 14 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.486 -0.236 25627
7012 1 14 . 1 1 42 42 LYS C C 42 176.102 176.102 175.542 0.560 25627
7013 1 14 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.525 -0.624 25627
7014 1 14 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.638 -1.473 25627
7015 1 14 . 1 1 42 42 LYS H H 42 8.263 8.263 7.500 0.763 25627
7016 1 14 . 1 1 43 43 GLN N N 43 116.108 116.108 119.067 -2.959 25627
7017 1 14 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.955 0.013 25627
7018 1 14 . 1 1 43 43 GLN C C 43 175.125 175.125 174.817 0.308 25627
7019 1 14 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.661 -0.106 25627
7020 1 14 . 1 1 43 43 GLN CB C 43 25.912 25.912 26.814 -0.902 25627
7021 1 14 . 1 1 43 43 GLN H H 43 7.717 7.717 7.904 -0.187 25627
7022 1 14 . 1 1 44 44 VAL N N 44 110.285 110.285 117.138 -6.853 25627
7023 1 14 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.355 0.203 25627
7024 1 14 . 1 1 44 44 VAL C C 44 175.431 175.431 174.302 1.129 25627
7025 1 14 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.986 -0.746 25627
7026 1 14 . 1 1 44 44 VAL CB C 44 34.732 34.732 33.327 1.405 25627
7027 1 14 . 1 1 44 44 VAL H H 44 6.817 6.817 7.730 -0.913 25627
7028 1 14 . 1 1 45 45 ALA N N 45 123.422 123.422 119.610 3.812 25627
7029 1 14 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.610 -0.255 25627
7030 1 14 . 1 1 45 45 ALA C C 45 177.543 177.543 177.046 0.497 25627
7031 1 14 . 1 1 45 45 ALA CA C 45 52.821 52.821 53.117 -0.296 25627
7032 1 14 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.794 0.018 25627
7033 1 14 . 1 1 45 45 ALA H H 45 8.571 8.571 8.165 0.406 25627
7034 1 14 . 1 1 46 46 MET N N 46 114.808 114.808 117.271 -2.463 25627
7035 1 14 . 1 1 46 46 MET HA H 46 4.724 4.724 4.752 -0.028 25627
7036 1 14 . 1 1 46 46 MET C C 46 173.698 173.698 174.593 -0.895 25627
7037 1 14 . 1 1 46 46 MET CA C 46 54.230 54.230 53.800 0.430 25627
7038 1 14 . 1 1 46 46 MET CB C 46 34.793 34.793 36.034 -1.241 25627
7039 1 14 . 1 1 46 46 MET H H 46 7.657 7.657 7.746 -0.089 25627
7040 1 14 . 1 1 47 47 VAL N N 47 120.757 120.757 121.550 -0.793 25627
7041 1 14 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.299 -0.020 25627
7042 1 14 . 1 1 47 47 VAL C C 47 174.985 174.985 175.232 -0.247 25627
7043 1 14 . 1 1 47 47 VAL CA C 47 61.036 61.036 60.612 0.424 25627
7044 1 14 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.376 0.450 25627
7045 1 14 . 1 1 47 47 VAL H H 47 8.459 8.459 8.386 0.073 25627
7046 1 14 . 1 1 48 48 ASP N N 48 126.251 126.251 126.326 -0.075 25627
7047 1 14 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.640 -0.167 25627
7048 1 14 . 1 1 48 48 ASP C C 48 175.819 175.819 175.134 0.685 25627
7049 1 14 . 1 1 48 48 ASP CA C 48 55.472 55.472 53.923 1.549 25627
7050 1 14 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.361 0.773 25627
7051 1 14 . 1 1 48 48 ASP H H 48 8.929 8.929 8.696 0.233 25627
7052 1 14 . 1 1 49 49 ARG N N 49 122.995 122.995 123.755 -0.760 25627
7053 1 14 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.282 -0.523 25627
7054 1 14 . 1 1 49 49 ARG C C 49 176.363 176.363 175.607 0.756 25627
7055 1 14 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.624 -0.010 25627
7056 1 14 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.839 -0.369 25627
7057 1 14 . 1 1 49 49 ARG H H 49 8.534 8.534 7.938 0.596 25627
7058 1 14 . 1 1 50 50 TRP N N 50 125.191 125.191 120.443 4.748 25627
7059 1 14 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.111 -0.447 25627
7060 1 14 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.532 0.063 25627
7061 1 14 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.610 -0.496 25627
7062 1 14 . 1 1 50 50 TRP H H 50 9.111 9.111 8.189 0.922 25627
7063 1 14 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.224 0.121 25627
7064 1 14 . 1 1 51 51 PRO C C 51 178.698 178.698 177.525 1.173 25627
7065 1 14 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.154 -0.580 25627
7066 1 14 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.212 -0.049 25627
7067 1 14 . 1 1 52 52 GLU N N 52 116.570 116.570 119.390 -2.820 25627
7068 1 14 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.163 -0.193 25627
7069 1 14 . 1 1 52 52 GLU C C 52 178.031 178.031 177.662 0.369 25627
7070 1 14 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.877 1.881 25627
7071 1 14 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.849 -0.235 25627
7072 1 14 . 1 1 52 52 GLU H H 52 9.951 9.951 8.741 1.210 25627
7073 1 14 . 1 1 53 53 THR N N 53 103.788 103.788 106.884 -3.096 25627
7074 1 14 . 1 1 53 53 THR HA H 53 4.135 4.135 4.287 -0.152 25627
7075 1 14 . 1 1 53 53 THR C C 53 175.731 175.731 175.110 0.621 25627
7076 1 14 . 1 1 53 53 THR CA C 53 60.427 60.427 62.112 -1.685 25627
7077 1 14 . 1 1 53 53 THR CB C 53 70.762 70.762 71.353 -0.591 25627
7078 1 14 . 1 1 53 53 THR H H 53 7.120 7.120 7.674 -0.554 25627
7079 1 14 . 1 1 54 54 GLY N N 54 109.195 109.195 111.119 -1.924 25627
7080 1 14 . 1 1 54 54 GLY C C 54 174.593 174.593 173.542 1.051 25627
7081 1 14 . 1 1 54 54 GLY CA C 54 45.748 45.748 44.909 0.839 25627
7082 1 14 . 1 1 54 54 GLY H H 54 8.227 8.227 8.070 0.157 25627
7083 1 14 . 1 1 55 55 TYR N N 55 119.038 119.038 119.566 -0.528 25627
7084 1 14 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.875 0.830 25627
7085 1 14 . 1 1 55 55 TYR C C 55 177.556 177.556 175.812 1.744 25627
7086 1 14 . 1 1 55 55 TYR CA C 55 53.730 53.730 56.761 -3.031 25627
7087 1 14 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.601 -0.860 25627
7088 1 14 . 1 1 55 55 TYR H H 55 7.353 7.353 7.322 0.031 25627
7089 1 14 . 1 1 56 56 VAL N N 56 120.089 120.089 121.170 -1.081 25627
7090 1 14 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.245 -0.632 25627
7091 1 14 . 1 1 56 56 VAL C C 56 174.564 174.564 176.914 -2.350 25627
7092 1 14 . 1 1 56 56 VAL CA C 56 64.767 64.767 63.902 0.865 25627
7093 1 14 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.193 1.574 25627
7094 1 14 . 1 1 56 56 VAL H H 56 8.252 8.252 8.623 -0.371 25627
7095 1 14 . 1 1 57 57 LYS N N 57 127.233 127.233 128.498 -1.265 25627
7096 1 14 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.829 -0.381 25627
7097 1 14 . 1 1 57 57 LYS C C 57 175.256 175.256 176.400 -1.144 25627
7098 1 14 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.462 -1.479 25627
7099 1 14 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.979 1.271 25627
7100 1 14 . 1 1 57 57 LYS H H 57 9.005 9.005 9.128 -0.123 25627
7101 1 14 . 1 1 58 58 LYS N N 58 115.918 115.918 115.693 0.225 25627
7102 1 14 . 1 1 58 58 LYS HA H 58 5.370 5.370 4.945 0.425 25627
7103 1 14 . 1 1 58 58 LYS C C 58 174.030 174.030 174.567 -0.537 25627
7104 1 14 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.245 -0.391 25627
7105 1 14 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.077 -0.254 25627
7106 1 14 . 1 1 58 58 LYS H H 58 6.921 6.921 7.684 -0.763 25627
7107 1 14 . 1 1 59 59 LEU N N 59 121.666 121.666 122.531 -0.865 25627
7108 1 14 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.321 0.328 25627
7109 1 14 . 1 1 59 59 LEU C C 59 174.451 174.451 174.604 -0.153 25627
7110 1 14 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.353 -0.881 25627
7111 1 14 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.115 0.824 25627
7112 1 14 . 1 1 59 59 LEU H H 59 8.793 8.793 8.531 0.262 25627
7113 1 14 . 1 1 60 60 GLN N N 60 121.710 121.710 124.442 -2.732 25627
7114 1 14 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.186 0.250 25627
7115 1 14 . 1 1 60 60 GLN C C 60 176.636 176.636 175.279 1.357 25627
7116 1 14 . 1 1 60 60 GLN CA C 60 54.917 54.917 56.014 -1.097 25627
7117 1 14 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.421 0.916 25627
7118 1 14 . 1 1 60 60 GLN H H 60 8.879 8.879 8.419 0.460 25627
7119 1 14 . 1 1 61 61 ARG N N 61 126.172 126.172 124.717 1.455 25627
7120 1 14 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.049 0.494 25627
7121 1 14 . 1 1 61 61 ARG C C 61 178.315 178.315 177.685 0.630 25627
7122 1 14 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.637 1.936 25627
7123 1 14 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.848 1.054 25627
7124 1 14 . 1 1 61 61 ARG H H 61 9.387 9.387 8.529 0.858 25627
7125 1 14 . 1 1 62 62 ARG N N 62 123.754 123.754 120.228 3.526 25627
7126 1 14 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.121 -0.253 25627
7127 1 14 . 1 1 62 62 ARG C C 62 176.508 176.508 176.424 0.084 25627
7128 1 14 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.352 1.511 25627
7129 1 14 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.968 -0.503 25627
7130 1 14 . 1 1 62 62 ARG H H 62 9.385 9.385 8.491 0.894 25627
7131 1 14 . 1 1 63 63 ASP N N 63 116.155 116.155 117.230 -1.075 25627
7132 1 14 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.673 -0.242 25627
7133 1 14 . 1 1 63 63 ASP C C 63 176.163 176.163 175.570 0.593 25627
7134 1 14 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.783 -0.597 25627
7135 1 14 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.118 -0.362 25627
7136 1 14 . 1 1 63 63 ASP H H 63 7.505 7.505 8.022 -0.517 25627
7137 1 14 . 1 1 64 64 ASN N N 64 110.183 110.183 112.588 -2.405 25627
7138 1 14 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.234 -0.147 25627
7139 1 14 . 1 1 64 64 ASN C C 64 175.432 175.432 173.662 1.770 25627
7140 1 14 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.462 0.968 25627
7141 1 14 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.603 -0.569 25627
7142 1 14 . 1 1 64 64 ASN H H 64 7.791 7.791 8.458 -0.667 25627
7143 1 14 . 1 1 65 65 THR N N 65 112.736 112.736 111.870 0.866 25627
7144 1 14 . 1 1 65 65 THR HA H 65 4.414 4.414 4.308 0.106 25627
7145 1 14 . 1 1 65 65 THR C C 65 173.653 173.653 174.142 -0.489 25627
7146 1 14 . 1 1 65 65 THR CA C 65 62.342 62.342 61.985 0.357 25627
7147 1 14 . 1 1 65 65 THR CB C 65 70.946 70.946 68.892 2.054 25627
7148 1 14 . 1 1 65 65 THR H H 65 7.921 7.921 7.543 0.378 25627
7149 1 14 . 1 1 66 66 PHE N N 66 118.850 118.850 125.324 -6.474 25627
7150 1 14 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.329 0.815 25627
7151 1 14 . 1 1 66 66 PHE C C 66 174.762 174.762 174.830 -0.068 25627
7152 1 14 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.469 0.010 25627
7153 1 14 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.303 2.960 25627
7154 1 14 . 1 1 66 66 PHE H H 66 8.926 8.926 8.978 -0.052 25627
7155 1 14 . 1 1 67 67 PHE N N 67 124.259 124.259 126.194 -1.935 25627
7156 1 14 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.727 -0.063 25627
7157 1 14 . 1 1 67 67 PHE C C 67 173.553 173.553 173.204 0.349 25627
7158 1 14 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.343 -0.438 25627
7159 1 14 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.357 -0.020 25627
7160 1 14 . 1 1 67 67 PHE H H 67 9.142 9.142 8.295 0.847 25627
7161 1 14 . 1 1 68 68 TYR N N 68 122.881 122.881 125.660 -2.779 25627
7162 1 14 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.598 0.273 25627
7163 1 14 . 1 1 68 68 TYR C C 68 174.835 174.835 175.486 -0.651 25627
7164 1 14 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.048 -0.655 25627
7165 1 14 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.615 1.574 25627
7166 1 14 . 1 1 68 68 TYR H H 68 8.064 8.064 8.069 -0.005 25627
7167 1 14 . 1 1 69 69 TYR N N 69 118.675 118.675 122.720 -4.045 25627
7168 1 14 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.827 0.198 25627
7169 1 14 . 1 1 69 69 TYR C C 69 177.181 177.181 175.263 1.918 25627
7170 1 14 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.386 -0.474 25627
7171 1 14 . 1 1 69 69 TYR CB C 69 43.423 43.423 42.006 1.417 25627
7172 1 14 . 1 1 69 69 TYR H H 69 8.384 8.384 9.126 -0.742 25627
7173 1 14 . 1 1 70 70 ASN N N 70 122.917 122.917 119.483 3.434 25627
7174 1 14 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.907 -0.112 25627
7175 1 14 . 1 1 70 70 ASN C C 70 175.433 175.433 175.466 -0.033 25627
7176 1 14 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.119 1.240 25627
7177 1 14 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.996 -0.619 25627
7178 1 14 . 1 1 70 70 ASN H H 70 9.832 9.832 8.851 0.981 25627
7179 1 14 . 1 1 71 71 LYS N N 71 123.116 123.116 121.165 1.951 25627
7180 1 14 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.463 -2.224 25627
7181 1 14 . 1 1 71 71 LYS C C 71 175.495 175.495 177.380 -1.885 25627
7182 1 14 . 1 1 71 71 LYS CA C 71 58.421 58.421 57.898 0.523 25627
7183 1 14 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.193 -0.116 25627
7184 1 14 . 1 1 71 71 LYS H H 71 8.047 8.047 8.596 -0.549 25627
7185 1 14 . 1 1 72 72 GLU N N 72 113.242 113.242 121.722 -8.480 25627
7186 1 14 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.339 0.039 25627
7187 1 14 . 1 1 72 72 GLU C C 72 175.018 175.018 175.735 -0.717 25627
7188 1 14 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.591 -0.784 25627
7189 1 14 . 1 1 72 72 GLU CB C 72 30.432 30.432 27.878 2.554 25627
7190 1 14 . 1 1 72 72 GLU H H 72 7.335 7.335 8.258 -0.923 25627
7191 1 14 . 1 1 73 73 ARG N N 73 118.120 118.120 120.195 -2.075 25627
7192 1 14 . 1 1 73 73 ARG HA H 73 3.354 3.354 4.073 -0.719 25627
7193 1 14 . 1 1 73 73 ARG C C 73 175.859 175.859 175.757 0.102 25627
7194 1 14 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.359 0.315 25627
7195 1 14 . 1 1 73 73 ARG CB C 73 31.134 31.134 29.733 1.401 25627
7196 1 14 . 1 1 73 73 ARG H H 73 8.174 8.174 8.112 0.062 25627
7197 1 14 . 1 1 74 74 GLU N N 74 127.360 127.360 122.031 5.329 25627
7198 1 14 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.431 0.062 25627
7199 1 14 . 1 1 74 74 GLU C C 74 176.415 176.415 175.339 1.076 25627
7200 1 14 . 1 1 74 74 GLU CA C 74 57.061 57.061 56.728 0.333 25627
7201 1 14 . 1 1 74 74 GLU CB C 74 33.462 33.462 31.778 1.684 25627
7202 1 14 . 1 1 74 74 GLU H H 74 10.788 10.788 8.731 2.057 25627
7203 1 14 . 1 1 75 75 CYS N N 75 123.441 123.441 119.508 3.933 25627
7204 1 14 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.111 -0.635 25627
7205 1 14 . 1 1 75 75 CYS C C 75 174.198 174.198 174.421 -0.223 25627
7206 1 14 . 1 1 75 75 CYS CA C 75 59.022 59.022 60.063 -1.041 25627
7207 1 14 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.942 -2.720 25627
7208 1 14 . 1 1 75 75 CYS H H 75 9.198 9.198 7.862 1.336 25627
7209 1 14 . 1 1 76 76 GLU N N 76 131.177 131.177 125.858 5.319 25627
7210 1 14 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.285 -0.290 25627
7211 1 14 . 1 1 76 76 GLU C C 76 177.122 177.122 176.273 0.849 25627
7212 1 14 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.355 2.461 25627
7213 1 14 . 1 1 76 76 GLU CB C 76 30.668 30.668 31.562 -0.894 25627
7214 1 14 . 1 1 76 76 GLU H H 76 8.452 8.452 8.937 -0.485 25627
7215 1 14 . 1 1 77 77 ASP N N 77 123.154 123.154 122.329 0.825 25627
7216 1 14 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.363 -0.027 25627
7217 1 14 . 1 1 77 77 ASP C C 77 179.545 179.545 177.863 1.682 25627
7218 1 14 . 1 1 77 77 ASP CA C 77 58.610 58.610 58.295 0.315 25627
7219 1 14 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.609 -0.660 25627
7220 1 14 . 1 1 77 77 ASP H H 77 9.067 9.067 8.814 0.253 25627
7221 1 14 . 1 1 78 78 LYS N N 78 116.055 116.055 118.141 -2.086 25627
7222 1 14 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.057 0.241 25627
7223 1 14 . 1 1 78 78 LYS C C 78 176.146 176.146 178.943 -2.797 25627
7224 1 14 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.473 -0.989 25627
7225 1 14 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.147 -0.307 25627
7226 1 14 . 1 1 78 78 LYS H H 78 8.664 8.664 8.429 0.235 25627
7227 1 14 . 1 1 79 79 GLU N N 79 117.481 117.481 119.780 -2.299 25627
7228 1 14 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.148 0.299 25627
7229 1 14 . 1 1 79 79 GLU C C 79 177.666 177.666 178.840 -1.174 25627
7230 1 14 . 1 1 79 79 GLU CA C 79 55.605 55.605 59.033 -3.428 25627
7231 1 14 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.240 1.748 25627
7232 1 14 . 1 1 79 79 GLU H H 79 7.735 7.735 8.443 -0.708 25627
7233 1 14 . 1 1 80 80 VAL N N 80 121.192 121.192 120.718 0.474 25627
7234 1 14 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.601 -0.358 25627
7235 1 14 . 1 1 80 80 VAL C C 80 176.731 176.731 177.090 -0.359 25627
7236 1 14 . 1 1 80 80 VAL CA C 80 66.875 66.875 67.654 -0.779 25627
7237 1 14 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.815 0.358 25627
7238 1 14 . 1 1 80 80 VAL H H 80 7.274 7.274 7.586 -0.312 25627
7239 1 14 . 1 1 81 81 HIS N N 81 112.861 112.861 117.596 -4.735 25627
7240 1 14 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.198 0.450 25627
7241 1 14 . 1 1 81 81 HIS C C 81 175.330 175.330 176.577 -1.247 25627
7242 1 14 . 1 1 81 81 HIS CA C 81 57.747 57.747 58.439 -0.692 25627
7243 1 14 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.483 -1.303 25627
7244 1 14 . 1 1 81 81 HIS H H 81 8.157 8.157 7.714 0.443 25627
7245 1 14 . 1 1 82 82 LYS N N 82 117.850 117.850 116.379 1.471 25627
7246 1 14 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.009 0.002 25627
7247 1 14 . 1 1 82 82 LYS C C 82 177.430 177.430 177.657 -0.227 25627
7248 1 14 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.105 -0.514 25627
7249 1 14 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.516 0.567 25627
7250 1 14 . 1 1 82 82 LYS H H 82 7.264 7.264 7.472 -0.208 25627
7251 1 14 . 1 1 83 83 VAL N N 83 123.619 123.619 122.163 1.456 25627
7252 1 14 . 1 1 83 83 VAL HA H 83 3.880 3.880 3.926 -0.046 25627
7253 1 14 . 1 1 83 83 VAL C C 83 175.239 175.239 175.249 -0.010 25627
7254 1 14 . 1 1 83 83 VAL CA C 83 63.812 63.812 63.644 0.168 25627
7255 1 14 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.054 -0.506 25627
7256 1 14 . 1 1 83 83 VAL H H 83 8.126 8.126 8.201 -0.075 25627
7257 1 14 . 1 1 84 84 LYS N N 84 128.994 128.994 128.174 0.820 25627
7258 1 14 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.795 -0.342 25627
7259 1 14 . 1 1 84 84 LYS C C 84 174.399 174.399 175.417 -1.018 25627
7260 1 14 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.950 0.867 25627
7261 1 14 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.067 0.039 25627
7262 1 14 . 1 1 84 84 LYS H H 84 9.031 9.031 8.064 0.967 25627
7263 1 14 . 1 1 85 85 VAL N N 85 120.723 120.723 124.803 -4.080 25627
7264 1 14 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.399 -0.369 25627
7265 1 14 . 1 1 85 85 VAL C C 85 175.482 175.482 175.534 -0.052 25627
7266 1 14 . 1 1 85 85 VAL CA C 85 61.642 61.642 60.091 1.551 25627
7267 1 14 . 1 1 85 85 VAL CB C 85 32.488 32.488 32.328 0.160 25627
7268 1 14 . 1 1 85 85 VAL H H 85 8.299 8.299 8.786 -0.487 25627
7269 1 14 . 1 1 86 86 TYR N N 86 126.214 126.214 128.749 -2.535 25627
7270 1 14 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.987 -0.261 25627
7271 1 14 . 1 1 86 86 TYR C C 86 175.214 175.214 174.976 0.238 25627
7272 1 14 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.926 2.614 25627
7273 1 14 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.473 1.579 25627
7274 1 14 . 1 1 86 86 TYR H H 86 8.077 8.077 8.720 -0.643 25627
7275 1 14 . 1 1 87 87 VAL N N 87 123.680 123.680 119.867 3.813 25627
7276 1 14 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.153 0.043 25627
7277 1 14 . 1 1 87 87 VAL C C 87 174.322 174.322 173.833 0.489 25627
7278 1 14 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.935 1.966 25627
7279 1 14 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.692 0.087 25627
7280 1 14 . 1 1 87 87 VAL H H 87 8.133 8.133 8.817 -0.684 25627
7281 1 15 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.448 -0.318 25627
7282 1 15 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 57.833 -2.984 25627
7283 1 15 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 29.928 1.745 25627
7284 1 15 . 1 1 0 0 MET N N 0 120.413 120.413 119.968 0.445 25627
7285 1 15 . 1 1 0 0 MET HA H 0 4.350 4.350 4.224 0.126 25627
7286 1 15 . 1 1 0 0 MET C C 0 175.829 175.829 174.379 1.450 25627
7287 1 15 . 1 1 0 0 MET CA C 0 55.134 55.134 56.744 -1.610 25627
7288 1 15 . 1 1 0 0 MET CB C 0 32.391 32.391 32.347 0.044 25627
7289 1 15 . 1 1 0 0 MET H H 0 8.332 8.332 8.014 0.318 25627
7290 1 15 . 1 1 1 1 MET N N 1 121.120 121.120 119.498 1.622 25627
7291 1 15 . 1 1 1 1 MET HA H 1 4.443 4.443 4.726 -0.283 25627
7292 1 15 . 1 1 1 1 MET C C 1 175.772 175.772 174.289 1.483 25627
7293 1 15 . 1 1 1 1 MET CA C 1 55.446 55.446 54.227 1.219 25627
7294 1 15 . 1 1 1 1 MET CB C 1 32.774 32.774 35.808 -3.034 25627
7295 1 15 . 1 1 1 1 MET H H 1 8.287 8.287 7.769 0.518 25627
7296 1 15 . 1 1 2 2 ALA N N 2 125.673 125.673 123.199 2.474 25627
7297 1 15 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.370 -0.003 25627
7298 1 15 . 1 1 2 2 ALA C C 2 177.821 177.821 178.978 -1.157 25627
7299 1 15 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.305 0.263 25627
7300 1 15 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.094 0.143 25627
7301 1 15 . 1 1 2 2 ALA H H 2 8.373 8.373 8.705 -0.332 25627
7302 1 15 . 1 1 3 3 THR N N 3 113.038 113.038 115.419 -2.381 25627
7303 1 15 . 1 1 3 3 THR HA H 3 4.354 4.354 3.984 0.370 25627
7304 1 15 . 1 1 3 3 THR C C 3 174.577 174.577 174.470 0.107 25627
7305 1 15 . 1 1 3 3 THR CA C 3 61.679 61.679 64.848 -3.169 25627
7306 1 15 . 1 1 3 3 THR CB C 3 69.864 69.864 69.037 0.827 25627
7307 1 15 . 1 1 3 3 THR H H 3 8.099 8.099 8.432 -0.333 25627
7308 1 15 . 1 1 4 4 SER N N 4 117.235 117.235 116.664 0.571 25627
7309 1 15 . 1 1 4 4 SER HA H 4 4.440 4.440 4.686 -0.246 25627
7310 1 15 . 1 1 4 4 SER C C 4 173.887 173.887 172.940 0.947 25627
7311 1 15 . 1 1 4 4 SER CA C 4 58.314 58.314 57.773 0.541 25627
7312 1 15 . 1 1 4 4 SER CB C 4 63.951 63.951 64.210 -0.259 25627
7313 1 15 . 1 1 4 4 SER H H 4 8.238 8.238 8.224 0.014 25627
7314 1 15 . 1 1 5 5 ASP N N 5 122.543 122.543 120.691 1.852 25627
7315 1 15 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.810 -0.227 25627
7316 1 15 . 1 1 5 5 ASP C C 5 175.690 175.690 174.407 1.283 25627
7317 1 15 . 1 1 5 5 ASP CA C 5 54.146 54.146 52.834 1.312 25627
7318 1 15 . 1 1 5 5 ASP CB C 5 41.166 41.166 44.090 -2.924 25627
7319 1 15 . 1 1 5 5 ASP H H 5 8.321 8.321 7.586 0.735 25627
7320 1 15 . 1 1 6 6 VAL N N 6 121.235 121.235 120.432 0.803 25627
7321 1 15 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.323 -0.225 25627
7322 1 15 . 1 1 6 6 VAL C C 6 175.211 175.211 175.173 0.038 25627
7323 1 15 . 1 1 6 6 VAL CA C 6 62.322 62.322 61.955 0.367 25627
7324 1 15 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.756 -0.175 25627
7325 1 15 . 1 1 6 6 VAL H H 6 7.942 7.942 8.487 -0.545 25627
7326 1 15 . 1 1 7 7 LYS N N 7 125.356 125.356 128.922 -3.566 25627
7327 1 15 . 1 1 7 7 LYS CA C 7 53.311 53.311 52.990 0.321 25627
7328 1 15 . 1 1 7 7 LYS CB C 7 33.494 33.494 33.308 0.186 25627
7329 1 15 . 1 1 7 7 LYS H H 7 8.383 8.383 8.457 -0.074 25627
7330 1 15 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.594 -0.635 25627
7331 1 15 . 1 1 8 8 PRO C C 8 176.346 176.346 176.185 0.161 25627
7332 1 15 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.201 -0.208 25627
7333 1 15 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.297 -0.294 25627
7334 1 15 . 1 1 9 9 LYS N N 9 122.609 122.609 121.878 0.731 25627
7335 1 15 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.517 -0.230 25627
7336 1 15 . 1 1 9 9 LYS C C 9 177.164 177.164 176.378 0.786 25627
7337 1 15 . 1 1 9 9 LYS CA C 9 57.222 57.222 56.298 0.924 25627
7338 1 15 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.747 0.215 25627
7339 1 15 . 1 1 9 9 LYS H H 9 9.393 9.393 8.551 0.842 25627
7340 1 15 . 1 1 10 10 SER N N 10 111.655 111.655 113.456 -1.801 25627
7341 1 15 . 1 1 10 10 SER HA H 10 4.563 4.563 4.664 -0.101 25627
7342 1 15 . 1 1 10 10 SER C C 10 171.697 171.697 172.219 -0.522 25627
7343 1 15 . 1 1 10 10 SER CA C 10 57.614 57.614 58.218 -0.604 25627
7344 1 15 . 1 1 10 10 SER CB C 10 64.687 64.687 66.151 -1.464 25627
7345 1 15 . 1 1 10 10 SER H H 10 7.846 7.846 7.790 0.056 25627
7346 1 15 . 1 1 11 11 ILE N N 11 121.054 121.054 120.254 0.800 25627
7347 1 15 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.666 -0.135 25627
7348 1 15 . 1 1 11 11 ILE C C 11 175.460 175.460 174.290 1.170 25627
7349 1 15 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.976 -0.182 25627
7350 1 15 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.951 -0.846 25627
7351 1 15 . 1 1 11 11 ILE H H 11 8.128 8.128 8.414 -0.286 25627
7352 1 15 . 1 1 12 12 SER N N 12 122.340 122.340 119.419 2.921 25627
7353 1 15 . 1 1 12 12 SER HA H 12 4.757 4.757 4.871 -0.114 25627
7354 1 15 . 1 1 12 12 SER C C 12 172.771 172.771 172.942 -0.171 25627
7355 1 15 . 1 1 12 12 SER CA C 12 56.498 56.498 55.870 0.628 25627
7356 1 15 . 1 1 12 12 SER CB C 12 65.418 65.418 65.238 0.180 25627
7357 1 15 . 1 1 12 12 SER H H 12 8.782 8.782 9.071 -0.289 25627
7358 1 15 . 1 1 13 13 ARG N N 13 119.603 119.603 119.894 -0.291 25627
7359 1 15 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.516 0.360 25627
7360 1 15 . 1 1 13 13 ARG C C 13 176.720 176.720 175.926 0.794 25627
7361 1 15 . 1 1 13 13 ARG CA C 13 54.308 54.308 55.000 -0.692 25627
7362 1 15 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.330 0.424 25627
7363 1 15 . 1 1 13 13 ARG H H 13 8.374 8.374 8.500 -0.126 25627
7364 1 15 . 1 1 14 14 ALA N N 14 127.004 127.004 128.239 -1.235 25627
7365 1 15 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.284 -0.174 25627
7366 1 15 . 1 1 14 14 ALA C C 14 176.523 176.523 176.982 -0.459 25627
7367 1 15 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.390 0.152 25627
7368 1 15 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.968 0.119 25627
7369 1 15 . 1 1 14 14 ALA H H 14 8.725 8.725 8.210 0.515 25627
7370 1 15 . 1 1 15 15 LYS N N 15 117.157 117.157 120.179 -3.022 25627
7371 1 15 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.379 -0.007 25627
7372 1 15 . 1 1 15 15 LYS C C 15 176.383 176.383 177.089 -0.706 25627
7373 1 15 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.438 -0.812 25627
7374 1 15 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.351 1.259 25627
7375 1 15 . 1 1 15 15 LYS H H 15 8.518 8.518 8.654 -0.136 25627
7376 1 15 . 1 1 16 16 LYS N N 16 116.265 116.265 118.903 -2.638 25627
7377 1 15 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.561 0.014 25627
7378 1 15 . 1 1 16 16 LYS C C 16 174.584 174.584 174.936 -0.352 25627
7379 1 15 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.472 0.222 25627
7380 1 15 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.666 0.938 25627
7381 1 15 . 1 1 16 16 LYS H H 16 7.429 7.429 7.492 -0.063 25627
7382 1 15 . 1 1 17 17 TRP N N 17 123.638 123.638 122.912 0.726 25627
7383 1 15 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.765 -0.980 25627
7384 1 15 . 1 1 17 17 TRP C C 17 174.781 174.781 174.513 0.268 25627
7385 1 15 . 1 1 17 17 TRP CA C 17 61.877 61.877 58.107 3.770 25627
7386 1 15 . 1 1 17 17 TRP CB C 17 28.921 28.921 30.135 -1.214 25627
7387 1 15 . 1 1 17 17 TRP H H 17 9.412 9.412 8.742 0.670 25627
7388 1 15 . 1 1 18 18 SER N N 18 119.926 119.926 120.384 -0.458 25627
7389 1 15 . 1 1 18 18 SER HA H 18 3.831 3.831 3.934 -0.103 25627
7390 1 15 . 1 1 18 18 SER C C 18 172.100 172.100 173.980 -1.880 25627
7391 1 15 . 1 1 18 18 SER CA C 18 56.830 56.830 56.456 0.374 25627
7392 1 15 . 1 1 18 18 SER CB C 18 66.241 66.241 66.974 -0.733 25627
7393 1 15 . 1 1 18 18 SER H H 18 6.081 6.081 7.649 -1.568 25627
7394 1 15 . 1 1 19 19 GLU N N 19 120.673 120.673 122.272 -1.599 25627
7395 1 15 . 1 1 19 19 GLU HA H 19 3.647 3.647 4.079 -0.432 25627
7396 1 15 . 1 1 19 19 GLU C C 19 177.682 177.682 178.269 -0.587 25627
7397 1 15 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.315 1.264 25627
7398 1 15 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.436 -0.813 25627
7399 1 15 . 1 1 19 19 GLU H H 19 9.355 9.355 8.712 0.643 25627
7400 1 15 . 1 1 20 20 GLU N N 20 117.979 117.979 119.272 -1.293 25627
7401 1 15 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.115 0.109 25627
7402 1 15 . 1 1 20 20 GLU C C 20 179.454 179.454 178.468 0.986 25627
7403 1 15 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.870 0.381 25627
7404 1 15 . 1 1 20 20 GLU CB C 20 29.715 29.715 28.960 0.755 25627
7405 1 15 . 1 1 20 20 GLU H H 20 7.946 7.946 8.480 -0.534 25627
7406 1 15 . 1 1 21 21 ILE N N 21 121.560 121.560 120.187 1.373 25627
7407 1 15 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.825 -0.048 25627
7408 1 15 . 1 1 21 21 ILE C C 21 176.700 176.700 177.836 -1.136 25627
7409 1 15 . 1 1 21 21 ILE CA C 21 61.978 61.978 63.353 -1.375 25627
7410 1 15 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.579 -0.485 25627
7411 1 15 . 1 1 21 21 ILE H H 21 7.122 7.122 8.013 -0.891 25627
7412 1 15 . 1 1 22 22 GLU N N 22 121.372 121.372 120.972 0.400 25627
7413 1 15 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.987 0.012 25627
7414 1 15 . 1 1 22 22 GLU C C 22 178.416 178.416 178.680 -0.264 25627
7415 1 15 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.285 -1.267 25627
7416 1 15 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.171 -1.018 25627
7417 1 15 . 1 1 22 22 GLU H H 22 8.017 8.017 8.114 -0.097 25627
7418 1 15 . 1 1 23 23 ASN N N 23 114.717 114.717 118.147 -3.430 25627
7419 1 15 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.561 0.176 25627
7420 1 15 . 1 1 23 23 ASN C C 23 177.565 177.565 177.865 -0.300 25627
7421 1 15 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.291 0.073 25627
7422 1 15 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.441 0.364 25627
7423 1 15 . 1 1 23 23 ASN H H 23 7.352 7.352 7.815 -0.463 25627
7424 1 15 . 1 1 24 24 LEU N N 24 122.083 122.083 120.980 1.103 25627
7425 1 15 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.909 0.494 25627
7426 1 15 . 1 1 24 24 LEU C C 24 178.487 178.487 179.214 -0.727 25627
7427 1 15 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.018 1.479 25627
7428 1 15 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.785 0.450 25627
7429 1 15 . 1 1 24 24 LEU H H 24 8.232 8.232 7.693 0.539 25627
7430 1 15 . 1 1 25 25 TYR N N 25 118.898 118.898 120.261 -1.363 25627
7431 1 15 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.160 -0.085 25627
7432 1 15 . 1 1 25 25 TYR C C 25 177.164 177.164 177.628 -0.464 25627
7433 1 15 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.163 0.378 25627
7434 1 15 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.251 -0.717 25627
7435 1 15 . 1 1 25 25 TYR H H 25 9.056 9.056 8.837 0.219 25627
7436 1 15 . 1 1 26 26 ARG N N 26 119.000 119.000 118.840 0.160 25627
7437 1 15 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.600 -0.242 25627
7438 1 15 . 1 1 26 26 ARG C C 26 179.709 179.709 178.856 0.853 25627
7439 1 15 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.407 0.862 25627
7440 1 15 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.661 -1.067 25627
7441 1 15 . 1 1 26 26 ARG H H 26 7.672 7.672 8.129 -0.457 25627
7442 1 15 . 1 1 27 27 PHE N N 27 119.640 119.640 120.130 -0.490 25627
7443 1 15 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.102 -0.232 25627
7444 1 15 . 1 1 27 27 PHE C C 27 178.542 178.542 177.970 0.572 25627
7445 1 15 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.172 2.260 25627
7446 1 15 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.521 -0.561 25627
7447 1 15 . 1 1 27 27 PHE H H 27 8.497 8.497 8.964 -0.467 25627
7448 1 15 . 1 1 28 28 GLN N N 28 120.400 120.400 118.728 1.672 25627
7449 1 15 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.014 0.711 25627
7450 1 15 . 1 1 28 28 GLN C C 28 182.258 182.258 178.617 3.641 25627
7451 1 15 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.734 0.229 25627
7452 1 15 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.609 -1.848 25627
7453 1 15 . 1 1 28 28 GLN H H 28 8.995 8.995 8.700 0.295 25627
7454 1 15 . 1 1 29 29 GLN N N 29 122.649 122.649 117.862 4.787 25627
7455 1 15 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.852 0.104 25627
7456 1 15 . 1 1 29 29 GLN C C 29 177.046 177.046 177.989 -0.943 25627
7457 1 15 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.098 0.131 25627
7458 1 15 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.189 1.022 25627
7459 1 15 . 1 1 29 29 GLN H H 29 8.728 8.728 8.051 0.677 25627
7460 1 15 . 1 1 30 30 ALA N N 30 117.672 117.672 117.587 0.085 25627
7461 1 15 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.850 0.279 25627
7462 1 15 . 1 1 30 30 ALA C C 30 175.371 175.371 176.937 -1.566 25627
7463 1 15 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.953 -0.741 25627
7464 1 15 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.790 0.406 25627
7465 1 15 . 1 1 30 30 ALA H H 30 7.120 7.120 7.800 -0.680 25627
7466 1 15 . 1 1 31 31 GLY N N 31 103.200 103.200 103.612 -0.412 25627
7467 1 15 . 1 1 31 31 GLY C C 31 173.625 173.625 173.597 0.028 25627
7468 1 15 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.673 0.635 25627
7469 1 15 . 1 1 31 31 GLY H H 31 7.474 7.474 7.530 -0.056 25627
7470 1 15 . 1 1 32 32 TYR N N 32 121.303 121.303 119.384 1.919 25627
7471 1 15 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.876 0.061 25627
7472 1 15 . 1 1 32 32 TYR C C 32 174.419 174.419 175.853 -1.434 25627
7473 1 15 . 1 1 32 32 TYR CA C 32 56.212 56.212 54.809 1.403 25627
7474 1 15 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.305 2.109 25627
7475 1 15 . 1 1 32 32 TYR H H 32 8.403 8.403 7.842 0.561 25627
7476 1 15 . 1 1 33 33 ARG N N 33 118.245 118.245 118.588 -0.343 25627
7477 1 15 . 1 1 33 33 ARG HA H 33 3.951 3.951 4.066 -0.115 25627
7478 1 15 . 1 1 33 33 ARG C C 33 175.618 175.618 175.262 0.356 25627
7479 1 15 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.004 3.571 25627
7480 1 15 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.824 1.161 25627
7481 1 15 . 1 1 33 33 ARG H H 33 9.571 9.571 8.691 0.880 25627
7482 1 15 . 1 1 34 34 ASP N N 34 105.630 105.630 118.207 -12.577 25627
7483 1 15 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.131 -0.308 25627
7484 1 15 . 1 1 34 34 ASP C C 34 174.754 174.754 176.049 -1.295 25627
7485 1 15 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.789 -0.524 25627
7486 1 15 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.414 -2.595 25627
7487 1 15 . 1 1 34 34 ASP H H 34 6.995 6.995 7.877 -0.882 25627
7488 1 15 . 1 1 35 35 GLU N N 35 118.215 118.215 121.318 -3.103 25627
7489 1 15 . 1 1 35 35 GLU HA H 35 2.903 2.903 4.284 -1.381 25627
7490 1 15 . 1 1 35 35 GLU C C 35 177.043 177.043 178.310 -1.267 25627
7491 1 15 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.903 -1.302 25627
7492 1 15 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.247 0.866 25627
7493 1 15 . 1 1 35 35 GLU H H 35 7.818 7.818 8.597 -0.779 25627
7494 1 15 . 1 1 36 36 ILE N N 36 118.404 118.404 121.606 -3.202 25627
7495 1 15 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.643 -0.222 25627
7496 1 15 . 1 1 36 36 ILE C C 36 179.143 179.143 178.262 0.881 25627
7497 1 15 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.433 -0.973 25627
7498 1 15 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.505 -1.003 25627
7499 1 15 . 1 1 36 36 ILE H H 36 6.833 6.833 7.832 -0.999 25627
7500 1 15 . 1 1 37 37 GLU N N 37 120.573 120.573 119.195 1.378 25627
7501 1 15 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.001 0.005 25627
7502 1 15 . 1 1 37 37 GLU C C 37 178.417 178.417 178.890 -0.473 25627
7503 1 15 . 1 1 37 37 GLU CA C 37 59.424 59.424 59.107 0.317 25627
7504 1 15 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.211 0.687 25627
7505 1 15 . 1 1 37 37 GLU H H 37 8.463 8.463 7.978 0.485 25627
7506 1 15 . 1 1 38 38 TYR N N 38 117.942 117.942 121.089 -3.147 25627
7507 1 15 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.232 0.251 25627
7508 1 15 . 1 1 38 38 TYR C C 38 176.772 176.772 177.676 -0.904 25627
7509 1 15 . 1 1 38 38 TYR CA C 38 62.767 62.767 59.675 3.092 25627
7510 1 15 . 1 1 38 38 TYR CB C 38 39.979 39.979 37.818 2.162 25627
7511 1 15 . 1 1 38 38 TYR H H 38 7.949 7.949 8.013 -0.064 25627
7512 1 15 . 1 1 39 39 LYS N N 39 115.539 115.539 117.923 -2.384 25627
7513 1 15 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.518 0.130 25627
7514 1 15 . 1 1 39 39 LYS C C 39 179.543 179.543 179.087 0.456 25627
7515 1 15 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.438 1.209 25627
7516 1 15 . 1 1 39 39 LYS CB C 39 32.223 32.223 32.056 0.167 25627
7517 1 15 . 1 1 39 39 LYS H H 39 8.287 8.287 8.431 -0.144 25627
7518 1 15 . 1 1 40 40 GLN N N 40 118.265 118.265 119.667 -1.402 25627
7519 1 15 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.002 0.009 25627
7520 1 15 . 1 1 40 40 GLN C C 40 178.263 178.263 177.834 0.429 25627
7521 1 15 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.621 0.132 25627
7522 1 15 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.681 -0.105 25627
7523 1 15 . 1 1 40 40 GLN H H 40 7.605 7.605 7.637 -0.032 25627
7524 1 15 . 1 1 41 41 VAL N N 41 118.627 118.627 118.869 -0.242 25627
7525 1 15 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.697 0.065 25627
7526 1 15 . 1 1 41 41 VAL C C 41 178.092 178.092 177.747 0.345 25627
7527 1 15 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.636 0.073 25627
7528 1 15 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.826 0.815 25627
7529 1 15 . 1 1 41 41 VAL H H 41 8.470 8.470 8.287 0.183 25627
7530 1 15 . 1 1 42 42 LYS N N 42 115.117 115.117 116.240 -1.123 25627
7531 1 15 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.478 -0.228 25627
7532 1 15 . 1 1 42 42 LYS C C 42 176.102 176.102 175.562 0.540 25627
7533 1 15 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.904 -1.003 25627
7534 1 15 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.706 -1.541 25627
7535 1 15 . 1 1 42 42 LYS H H 42 8.263 8.263 7.501 0.762 25627
7536 1 15 . 1 1 43 43 GLN N N 43 116.108 116.108 116.903 -0.795 25627
7537 1 15 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.951 0.017 25627
7538 1 15 . 1 1 43 43 GLN C C 43 175.125 175.125 175.146 -0.021 25627
7539 1 15 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.645 -0.090 25627
7540 1 15 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.980 -0.068 25627
7541 1 15 . 1 1 43 43 GLN H H 43 7.717 7.717 7.884 -0.167 25627
7542 1 15 . 1 1 44 44 VAL N N 44 110.285 110.285 113.168 -2.883 25627
7543 1 15 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.397 0.161 25627
7544 1 15 . 1 1 44 44 VAL C C 44 175.431 175.431 174.571 0.860 25627
7545 1 15 . 1 1 44 44 VAL CA C 44 59.240 59.240 60.530 -1.290 25627
7546 1 15 . 1 1 44 44 VAL CB C 44 34.732 34.732 34.866 -0.134 25627
7547 1 15 . 1 1 44 44 VAL H H 44 6.817 6.817 7.666 -0.849 25627
7548 1 15 . 1 1 45 45 ALA N N 45 123.422 123.422 120.989 2.433 25627
7549 1 15 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.419 -0.064 25627
7550 1 15 . 1 1 45 45 ALA C C 45 177.543 177.543 177.059 0.484 25627
7551 1 15 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.775 0.046 25627
7552 1 15 . 1 1 45 45 ALA CB C 45 19.812 19.812 20.014 -0.202 25627
7553 1 15 . 1 1 45 45 ALA H H 45 8.571 8.571 8.235 0.336 25627
7554 1 15 . 1 1 46 46 MET N N 46 114.808 114.808 120.911 -6.103 25627
7555 1 15 . 1 1 46 46 MET HA H 46 4.724 4.724 4.631 0.093 25627
7556 1 15 . 1 1 46 46 MET C C 46 173.698 173.698 175.115 -1.417 25627
7557 1 15 . 1 1 46 46 MET CA C 46 54.230 54.230 54.467 -0.237 25627
7558 1 15 . 1 1 46 46 MET CB C 46 34.793 34.793 33.103 1.690 25627
7559 1 15 . 1 1 46 46 MET H H 46 7.657 7.657 7.850 -0.193 25627
7560 1 15 . 1 1 47 47 VAL N N 47 120.757 120.757 124.455 -3.698 25627
7561 1 15 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.287 -0.008 25627
7562 1 15 . 1 1 47 47 VAL C C 47 174.985 174.985 175.108 -0.123 25627
7563 1 15 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.377 -0.341 25627
7564 1 15 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.674 0.152 25627
7565 1 15 . 1 1 47 47 VAL H H 47 8.459 8.459 8.420 0.039 25627
7566 1 15 . 1 1 48 48 ASP N N 48 126.251 126.251 127.616 -1.365 25627
7567 1 15 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.661 -0.188 25627
7568 1 15 . 1 1 48 48 ASP C C 48 175.819 175.819 174.964 0.855 25627
7569 1 15 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.534 0.938 25627
7570 1 15 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.389 0.745 25627
7571 1 15 . 1 1 48 48 ASP H H 48 8.929 8.929 8.661 0.268 25627
7572 1 15 . 1 1 49 49 ARG N N 49 122.995 122.995 120.885 2.110 25627
7573 1 15 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.351 -0.592 25627
7574 1 15 . 1 1 49 49 ARG C C 49 176.363 176.363 175.205 1.158 25627
7575 1 15 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.443 0.171 25627
7576 1 15 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.755 -0.285 25627
7577 1 15 . 1 1 49 49 ARG H H 49 8.534 8.534 8.224 0.310 25627
7578 1 15 . 1 1 50 50 TRP N N 50 125.191 125.191 122.073 3.118 25627
7579 1 15 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.149 -0.485 25627
7580 1 15 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.537 0.058 25627
7581 1 15 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.042 0.071 25627
7582 1 15 . 1 1 50 50 TRP H H 50 9.111 9.111 8.411 0.700 25627
7583 1 15 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.213 0.132 25627
7584 1 15 . 1 1 51 51 PRO C C 51 178.698 178.698 177.596 1.102 25627
7585 1 15 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.278 -0.704 25627
7586 1 15 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.014 0.149 25627
7587 1 15 . 1 1 52 52 GLU N N 52 116.570 116.570 118.193 -1.623 25627
7588 1 15 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.187 -0.217 25627
7589 1 15 . 1 1 52 52 GLU C C 52 178.031 178.031 177.851 0.180 25627
7590 1 15 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.795 1.963 25627
7591 1 15 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.451 0.163 25627
7592 1 15 . 1 1 52 52 GLU H H 52 9.951 9.951 9.063 0.888 25627
7593 1 15 . 1 1 53 53 THR N N 53 103.788 103.788 106.928 -3.140 25627
7594 1 15 . 1 1 53 53 THR HA H 53 4.135 4.135 4.425 -0.290 25627
7595 1 15 . 1 1 53 53 THR C C 53 175.731 175.731 174.845 0.886 25627
7596 1 15 . 1 1 53 53 THR CA C 53 60.427 60.427 61.729 -1.302 25627
7597 1 15 . 1 1 53 53 THR CB C 53 70.762 70.762 71.053 -0.291 25627
7598 1 15 . 1 1 53 53 THR H H 53 7.120 7.120 7.727 -0.607 25627
7599 1 15 . 1 1 54 54 GLY N N 54 109.195 109.195 110.788 -1.593 25627
7600 1 15 . 1 1 54 54 GLY C C 54 174.593 174.593 174.427 0.166 25627
7601 1 15 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.092 0.656 25627
7602 1 15 . 1 1 54 54 GLY H H 54 8.227 8.227 8.156 0.071 25627
7603 1 15 . 1 1 55 55 TYR N N 55 119.038 119.038 118.427 0.611 25627
7604 1 15 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.533 1.172 25627
7605 1 15 . 1 1 55 55 TYR C C 55 177.556 177.556 176.472 1.084 25627
7606 1 15 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.475 -3.745 25627
7607 1 15 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.230 -0.489 25627
7608 1 15 . 1 1 55 55 TYR H H 55 7.353 7.353 7.377 -0.024 25627
7609 1 15 . 1 1 56 56 VAL N N 56 120.089 120.089 120.725 -0.636 25627
7610 1 15 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.065 -0.452 25627
7611 1 15 . 1 1 56 56 VAL C C 56 174.564 174.564 176.895 -2.331 25627
7612 1 15 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.343 0.424 25627
7613 1 15 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.068 1.699 25627
7614 1 15 . 1 1 56 56 VAL H H 56 8.252 8.252 9.102 -0.850 25627
7615 1 15 . 1 1 57 57 LYS N N 57 127.233 127.233 128.197 -0.964 25627
7616 1 15 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.755 -0.307 25627
7617 1 15 . 1 1 57 57 LYS C C 57 175.256 175.256 176.443 -1.187 25627
7618 1 15 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.333 -1.350 25627
7619 1 15 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.792 1.458 25627
7620 1 15 . 1 1 57 57 LYS H H 57 9.005 9.005 9.133 -0.128 25627
7621 1 15 . 1 1 58 58 LYS N N 58 115.918 115.918 115.302 0.616 25627
7622 1 15 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.021 0.349 25627
7623 1 15 . 1 1 58 58 LYS C C 58 174.030 174.030 174.373 -0.343 25627
7624 1 15 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.223 -0.369 25627
7625 1 15 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.135 -0.312 25627
7626 1 15 . 1 1 58 58 LYS H H 58 6.921 6.921 7.596 -0.675 25627
7627 1 15 . 1 1 59 59 LEU N N 59 121.666 121.666 121.690 -0.024 25627
7628 1 15 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.578 0.071 25627
7629 1 15 . 1 1 59 59 LEU C C 59 174.451 174.451 174.937 -0.486 25627
7630 1 15 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.330 -0.858 25627
7631 1 15 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.446 0.493 25627
7632 1 15 . 1 1 59 59 LEU H H 59 8.793 8.793 8.807 -0.014 25627
7633 1 15 . 1 1 60 60 GLN N N 60 121.710 121.710 124.744 -3.034 25627
7634 1 15 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.405 0.031 25627
7635 1 15 . 1 1 60 60 GLN C C 60 176.636 176.636 175.476 1.160 25627
7636 1 15 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.860 -0.943 25627
7637 1 15 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.414 0.922 25627
7638 1 15 . 1 1 60 60 GLN H H 60 8.879 8.879 8.484 0.395 25627
7639 1 15 . 1 1 61 61 ARG N N 61 126.172 126.172 124.623 1.549 25627
7640 1 15 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.132 0.411 25627
7641 1 15 . 1 1 61 61 ARG C C 61 178.315 178.315 177.876 0.439 25627
7642 1 15 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.384 2.189 25627
7643 1 15 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.717 1.184 25627
7644 1 15 . 1 1 61 61 ARG H H 61 9.387 9.387 8.610 0.777 25627
7645 1 15 . 1 1 62 62 ARG N N 62 123.754 123.754 120.343 3.411 25627
7646 1 15 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.157 -0.289 25627
7647 1 15 . 1 1 62 62 ARG C C 62 176.508 176.508 176.049 0.459 25627
7648 1 15 . 1 1 62 62 ARG CA C 62 59.863 59.863 57.773 2.090 25627
7649 1 15 . 1 1 62 62 ARG CB C 62 29.464 29.464 28.982 0.482 25627
7650 1 15 . 1 1 62 62 ARG H H 62 9.385 9.385 8.343 1.042 25627
7651 1 15 . 1 1 63 63 ASP N N 63 116.155 116.155 119.162 -3.007 25627
7652 1 15 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.680 -0.249 25627
7653 1 15 . 1 1 63 63 ASP C C 63 176.163 176.163 175.356 0.807 25627
7654 1 15 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.420 -0.235 25627
7655 1 15 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.098 -0.342 25627
7656 1 15 . 1 1 63 63 ASP H H 63 7.505 7.505 7.991 -0.486 25627
7657 1 15 . 1 1 64 64 ASN N N 64 110.183 110.183 114.360 -4.177 25627
7658 1 15 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.227 -0.140 25627
7659 1 15 . 1 1 64 64 ASN C C 64 175.432 175.432 173.468 1.964 25627
7660 1 15 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.512 0.918 25627
7661 1 15 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.047 -0.014 25627
7662 1 15 . 1 1 64 64 ASN H H 64 7.791 7.791 8.053 -0.262 25627
7663 1 15 . 1 1 65 65 THR N N 65 112.736 112.736 109.845 2.891 25627
7664 1 15 . 1 1 65 65 THR HA H 65 4.414 4.414 4.498 -0.084 25627
7665 1 15 . 1 1 65 65 THR C C 65 173.653 173.653 173.847 -0.194 25627
7666 1 15 . 1 1 65 65 THR CA C 65 62.342 62.342 59.993 2.349 25627
7667 1 15 . 1 1 65 65 THR CB C 65 70.946 70.946 71.262 -0.316 25627
7668 1 15 . 1 1 65 65 THR H H 65 7.921 7.921 7.039 0.882 25627
7669 1 15 . 1 1 66 66 PHE N N 66 118.850 118.850 125.616 -6.766 25627
7670 1 15 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.485 0.659 25627
7671 1 15 . 1 1 66 66 PHE C C 66 174.762 174.762 174.880 -0.118 25627
7672 1 15 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.776 -0.297 25627
7673 1 15 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.281 2.982 25627
7674 1 15 . 1 1 66 66 PHE H H 66 8.926 8.926 8.865 0.061 25627
7675 1 15 . 1 1 67 67 PHE N N 67 124.259 124.259 127.274 -3.015 25627
7676 1 15 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.748 -0.084 25627
7677 1 15 . 1 1 67 67 PHE C C 67 173.553 173.553 173.228 0.325 25627
7678 1 15 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.155 -0.251 25627
7679 1 15 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.078 0.259 25627
7680 1 15 . 1 1 67 67 PHE H H 67 9.142 9.142 8.431 0.711 25627
7681 1 15 . 1 1 68 68 TYR N N 68 122.881 122.881 126.658 -3.777 25627
7682 1 15 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.469 0.402 25627
7683 1 15 . 1 1 68 68 TYR C C 68 174.835 174.835 175.083 -0.248 25627
7684 1 15 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.444 -1.051 25627
7685 1 15 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.781 1.408 25627
7686 1 15 . 1 1 68 68 TYR H H 68 8.064 8.064 8.153 -0.089 25627
7687 1 15 . 1 1 69 69 TYR N N 69 118.675 118.675 123.976 -5.301 25627
7688 1 15 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.604 0.421 25627
7689 1 15 . 1 1 69 69 TYR C C 69 177.181 177.181 175.234 1.947 25627
7690 1 15 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.324 -0.412 25627
7691 1 15 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.172 2.251 25627
7692 1 15 . 1 1 69 69 TYR H H 69 8.384 8.384 8.658 -0.274 25627
7693 1 15 . 1 1 70 70 ASN N N 70 122.917 122.917 119.478 3.439 25627
7694 1 15 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.800 -0.005 25627
7695 1 15 . 1 1 70 70 ASN C C 70 175.433 175.433 175.940 -0.507 25627
7696 1 15 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.130 1.229 25627
7697 1 15 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.435 -0.058 25627
7698 1 15 . 1 1 70 70 ASN H H 70 9.832 9.832 8.663 1.169 25627
7699 1 15 . 1 1 71 71 LYS N N 71 123.116 123.116 124.851 -1.735 25627
7700 1 15 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.346 -2.107 25627
7701 1 15 . 1 1 71 71 LYS C C 71 175.495 175.495 178.006 -2.511 25627
7702 1 15 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.488 -0.067 25627
7703 1 15 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.043 0.034 25627
7704 1 15 . 1 1 71 71 LYS H H 71 8.047 8.047 8.697 -0.650 25627
7705 1 15 . 1 1 72 72 GLU N N 72 113.242 113.242 121.647 -8.405 25627
7706 1 15 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.285 0.093 25627
7707 1 15 . 1 1 72 72 GLU C C 72 175.018 175.018 175.914 -0.896 25627
7708 1 15 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.965 -1.158 25627
7709 1 15 . 1 1 72 72 GLU CB C 72 30.432 30.432 28.406 2.026 25627
7710 1 15 . 1 1 72 72 GLU H H 72 7.335 7.335 8.545 -1.210 25627
7711 1 15 . 1 1 73 73 ARG N N 73 118.120 118.120 120.584 -2.464 25627
7712 1 15 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.955 -0.601 25627
7713 1 15 . 1 1 73 73 ARG C C 73 175.859 175.859 176.214 -0.355 25627
7714 1 15 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.503 0.171 25627
7715 1 15 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.341 0.793 25627
7716 1 15 . 1 1 73 73 ARG H H 73 8.174 8.174 8.480 -0.306 25627
7717 1 15 . 1 1 74 74 GLU N N 74 127.360 127.360 124.010 3.350 25627
7718 1 15 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.324 0.169 25627
7719 1 15 . 1 1 74 74 GLU C C 74 176.415 176.415 175.188 1.227 25627
7720 1 15 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.730 1.331 25627
7721 1 15 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.584 3.878 25627
7722 1 15 . 1 1 74 74 GLU H H 74 10.788 10.788 8.494 2.294 25627
7723 1 15 . 1 1 75 75 CYS N N 75 123.441 123.441 118.558 4.883 25627
7724 1 15 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.222 -0.746 25627
7725 1 15 . 1 1 75 75 CYS C C 75 174.198 174.198 174.404 -0.206 25627
7726 1 15 . 1 1 75 75 CYS CA C 75 59.022 59.022 58.168 0.854 25627
7727 1 15 . 1 1 75 75 CYS CB C 75 26.222 26.222 29.580 -3.358 25627
7728 1 15 . 1 1 75 75 CYS H H 75 9.198 9.198 7.853 1.345 25627
7729 1 15 . 1 1 76 76 GLU N N 76 131.177 131.177 122.841 8.336 25627
7730 1 15 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.316 -0.321 25627
7731 1 15 . 1 1 76 76 GLU C C 76 177.122 177.122 175.825 1.297 25627
7732 1 15 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.847 1.969 25627
7733 1 15 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.013 -1.345 25627
7734 1 15 . 1 1 76 76 GLU H H 76 8.452 8.452 8.352 0.100 25627
7735 1 15 . 1 1 77 77 ASP N N 77 123.154 123.154 120.874 2.280 25627
7736 1 15 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.377 -0.041 25627
7737 1 15 . 1 1 77 77 ASP C C 77 179.545 179.545 177.876 1.669 25627
7738 1 15 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.467 1.143 25627
7739 1 15 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.443 -0.494 25627
7740 1 15 . 1 1 77 77 ASP H H 77 9.067 9.067 8.847 0.220 25627
7741 1 15 . 1 1 78 78 LYS N N 78 116.055 116.055 118.830 -2.775 25627
7742 1 15 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.013 0.285 25627
7743 1 15 . 1 1 78 78 LYS C C 78 176.146 176.146 178.764 -2.618 25627
7744 1 15 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.741 -1.257 25627
7745 1 15 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.197 -0.357 25627
7746 1 15 . 1 1 78 78 LYS H H 78 8.664 8.664 8.320 0.344 25627
7747 1 15 . 1 1 79 79 GLU N N 79 117.481 117.481 119.329 -1.848 25627
7748 1 15 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.147 0.300 25627
7749 1 15 . 1 1 79 79 GLU C C 79 177.666 177.666 178.971 -1.305 25627
7750 1 15 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.897 -3.292 25627
7751 1 15 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.252 1.736 25627
7752 1 15 . 1 1 79 79 GLU H H 79 7.735 7.735 8.425 -0.690 25627
7753 1 15 . 1 1 80 80 VAL N N 80 121.192 121.192 119.978 1.214 25627
7754 1 15 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.730 -0.487 25627
7755 1 15 . 1 1 80 80 VAL C C 80 176.731 176.731 177.258 -0.527 25627
7756 1 15 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.260 0.615 25627
7757 1 15 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.400 0.773 25627
7758 1 15 . 1 1 80 80 VAL H H 80 7.274 7.274 7.431 -0.157 25627
7759 1 15 . 1 1 81 81 HIS N N 81 112.861 112.861 117.475 -4.614 25627
7760 1 15 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.296 0.352 25627
7761 1 15 . 1 1 81 81 HIS C C 81 175.330 175.330 176.546 -1.216 25627
7762 1 15 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.038 -1.291 25627
7763 1 15 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.421 -1.241 25627
7764 1 15 . 1 1 81 81 HIS H H 81 8.157 8.157 7.805 0.352 25627
7765 1 15 . 1 1 82 82 LYS N N 82 117.850 117.850 116.727 1.123 25627
7766 1 15 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.313 -0.302 25627
7767 1 15 . 1 1 82 82 LYS C C 82 177.430 177.430 177.664 -0.234 25627
7768 1 15 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.260 -0.668 25627
7769 1 15 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.791 0.292 25627
7770 1 15 . 1 1 82 82 LYS H H 82 7.264 7.264 7.662 -0.399 25627
7771 1 15 . 1 1 83 83 VAL N N 83 123.619 123.619 121.427 2.192 25627
7772 1 15 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.078 -0.198 25627
7773 1 15 . 1 1 83 83 VAL C C 83 175.239 175.239 175.087 0.152 25627
7774 1 15 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.553 1.259 25627
7775 1 15 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.443 -0.895 25627
7776 1 15 . 1 1 83 83 VAL H H 83 8.126 8.126 7.831 0.295 25627
7777 1 15 . 1 1 84 84 LYS N N 84 128.994 128.994 126.654 2.340 25627
7778 1 15 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.711 -0.258 25627
7779 1 15 . 1 1 84 84 LYS C C 84 174.399 174.399 175.543 -1.144 25627
7780 1 15 . 1 1 84 84 LYS CA C 84 55.817 55.817 55.102 0.715 25627
7781 1 15 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.836 -0.730 25627
7782 1 15 . 1 1 84 84 LYS H H 84 9.031 9.031 8.095 0.936 25627
7783 1 15 . 1 1 85 85 VAL N N 85 120.723 120.723 121.056 -0.333 25627
7784 1 15 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.561 -0.531 25627
7785 1 15 . 1 1 85 85 VAL C C 85 175.482 175.482 174.959 0.523 25627
7786 1 15 . 1 1 85 85 VAL CA C 85 61.642 61.642 59.777 1.865 25627
7787 1 15 . 1 1 85 85 VAL CB C 85 32.488 32.488 33.179 -0.691 25627
7788 1 15 . 1 1 85 85 VAL H H 85 8.299 8.299 9.118 -0.819 25627
7789 1 15 . 1 1 86 86 TYR N N 86 126.214 126.214 128.755 -2.541 25627
7790 1 15 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.757 -0.031 25627
7791 1 15 . 1 1 86 86 TYR C C 86 175.214 175.214 174.934 0.280 25627
7792 1 15 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.987 2.553 25627
7793 1 15 . 1 1 86 86 TYR CB C 86 41.052 41.052 38.848 2.204 25627
7794 1 15 . 1 1 86 86 TYR H H 86 8.077 8.077 8.905 -0.828 25627
7795 1 15 . 1 1 87 87 VAL N N 87 123.680 123.680 121.082 2.598 25627
7796 1 15 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.201 -0.005 25627
7797 1 15 . 1 1 87 87 VAL C C 87 174.322 174.322 174.400 -0.078 25627
7798 1 15 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.299 2.602 25627
7799 1 15 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.209 0.570 25627
7800 1 15 . 1 1 87 87 VAL H H 87 8.133 8.133 8.746 -0.613 25627
7801 1 16 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.475 -0.345 25627
7802 1 16 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 56.261 -1.412 25627
7803 1 16 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 30.421 1.252 25627
7804 1 16 . 1 1 0 0 MET N N 0 120.413 120.413 119.848 0.565 25627
7805 1 16 . 1 1 0 0 MET HA H 0 4.350 4.350 4.623 -0.273 25627
7806 1 16 . 1 1 0 0 MET C C 0 175.829 175.829 175.434 0.395 25627
7807 1 16 . 1 1 0 0 MET CA C 0 55.134 55.134 55.528 -0.394 25627
7808 1 16 . 1 1 0 0 MET CB C 0 32.391 32.391 33.878 -1.487 25627
7809 1 16 . 1 1 0 0 MET H H 0 8.332 8.332 8.437 -0.105 25627
7810 1 16 . 1 1 1 1 MET N N 1 121.120 121.120 118.788 2.332 25627
7811 1 16 . 1 1 1 1 MET HA H 1 4.443 4.443 4.744 -0.301 25627
7812 1 16 . 1 1 1 1 MET C C 1 175.772 175.772 175.134 0.638 25627
7813 1 16 . 1 1 1 1 MET CA C 1 55.446 55.446 54.205 1.241 25627
7814 1 16 . 1 1 1 1 MET CB C 1 32.774 32.774 35.446 -2.672 25627
7815 1 16 . 1 1 1 1 MET H H 1 8.287 8.287 7.724 0.563 25627
7816 1 16 . 1 1 2 2 ALA N N 2 125.673 125.673 125.704 -0.031 25627
7817 1 16 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.206 0.161 25627
7818 1 16 . 1 1 2 2 ALA C C 2 177.821 177.821 177.618 0.203 25627
7819 1 16 . 1 1 2 2 ALA CA C 2 52.568 52.568 53.331 -0.763 25627
7820 1 16 . 1 1 2 2 ALA CB C 2 19.237 19.237 18.346 0.891 25627
7821 1 16 . 1 1 2 2 ALA H H 2 8.373 8.373 8.794 -0.421 25627
7822 1 16 . 1 1 3 3 THR N N 3 113.038 113.038 114.002 -0.964 25627
7823 1 16 . 1 1 3 3 THR HA H 3 4.354 4.354 3.772 0.582 25627
7824 1 16 . 1 1 3 3 THR C C 3 174.577 174.577 174.865 -0.288 25627
7825 1 16 . 1 1 3 3 THR CA C 3 61.679 61.679 62.956 -1.277 25627
7826 1 16 . 1 1 3 3 THR CB C 3 69.864 69.864 67.516 2.348 25627
7827 1 16 . 1 1 3 3 THR H H 3 8.099 8.099 8.323 -0.224 25627
7828 1 16 . 1 1 4 4 SER N N 4 117.235 117.235 117.312 -0.077 25627
7829 1 16 . 1 1 4 4 SER HA H 4 4.440 4.440 4.030 0.410 25627
7830 1 16 . 1 1 4 4 SER C C 4 173.887 173.887 173.473 0.414 25627
7831 1 16 . 1 1 4 4 SER CA C 4 58.314 58.314 59.946 -1.632 25627
7832 1 16 . 1 1 4 4 SER CB C 4 63.951 63.951 63.549 0.402 25627
7833 1 16 . 1 1 4 4 SER H H 4 8.238 8.238 7.864 0.374 25627
7834 1 16 . 1 1 5 5 ASP N N 5 122.543 122.543 120.915 1.628 25627
7835 1 16 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.804 -0.221 25627
7836 1 16 . 1 1 5 5 ASP C C 5 175.690 175.690 174.921 0.769 25627
7837 1 16 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.903 0.243 25627
7838 1 16 . 1 1 5 5 ASP CB C 5 41.166 41.166 41.349 -0.183 25627
7839 1 16 . 1 1 5 5 ASP H H 5 8.321 8.321 8.402 -0.081 25627
7840 1 16 . 1 1 6 6 VAL N N 6 121.235 121.235 124.350 -3.115 25627
7841 1 16 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.326 -0.228 25627
7842 1 16 . 1 1 6 6 VAL C C 6 175.211 175.211 176.348 -1.137 25627
7843 1 16 . 1 1 6 6 VAL CA C 6 62.322 62.322 60.936 1.386 25627
7844 1 16 . 1 1 6 6 VAL CB C 6 32.581 32.581 33.610 -1.029 25627
7845 1 16 . 1 1 6 6 VAL H H 6 7.942 7.942 8.332 -0.390 25627
7846 1 16 . 1 1 7 7 LYS N N 7 125.356 125.356 128.034 -2.678 25627
7847 1 16 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.937 -1.625 25627
7848 1 16 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.712 1.782 25627
7849 1 16 . 1 1 7 7 LYS H H 7 8.383 8.383 8.496 -0.113 25627
7850 1 16 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.444 -0.485 25627
7851 1 16 . 1 1 8 8 PRO C C 8 176.346 176.346 176.019 0.327 25627
7852 1 16 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.068 -0.075 25627
7853 1 16 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.381 -0.378 25627
7854 1 16 . 1 1 9 9 LYS N N 9 122.609 122.609 123.027 -0.418 25627
7855 1 16 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.206 0.081 25627
7856 1 16 . 1 1 9 9 LYS C C 9 177.164 177.164 176.526 0.638 25627
7857 1 16 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.191 0.030 25627
7858 1 16 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.734 0.228 25627
7859 1 16 . 1 1 9 9 LYS H H 9 9.393 9.393 8.724 0.669 25627
7860 1 16 . 1 1 10 10 SER N N 10 111.655 111.655 112.404 -0.749 25627
7861 1 16 . 1 1 10 10 SER HA H 10 4.563 4.563 4.696 -0.133 25627
7862 1 16 . 1 1 10 10 SER C C 10 171.697 171.697 172.129 -0.432 25627
7863 1 16 . 1 1 10 10 SER CA C 10 57.614 57.614 58.059 -0.445 25627
7864 1 16 . 1 1 10 10 SER CB C 10 64.687 64.687 66.674 -1.987 25627
7865 1 16 . 1 1 10 10 SER H H 10 7.846 7.846 7.720 0.126 25627
7866 1 16 . 1 1 11 11 ILE N N 11 121.054 121.054 120.938 0.116 25627
7867 1 16 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.812 -0.281 25627
7868 1 16 . 1 1 11 11 ILE C C 11 175.460 175.460 175.373 0.087 25627
7869 1 16 . 1 1 11 11 ILE CA C 11 60.794 60.794 61.094 -0.301 25627
7870 1 16 . 1 1 11 11 ILE CB C 11 41.105 41.105 40.532 0.572 25627
7871 1 16 . 1 1 11 11 ILE H H 11 8.128 8.128 8.441 -0.313 25627
7872 1 16 . 1 1 12 12 SER N N 12 122.340 122.340 123.280 -0.940 25627
7873 1 16 . 1 1 12 12 SER HA H 12 4.757 4.757 4.818 -0.061 25627
7874 1 16 . 1 1 12 12 SER C C 12 172.771 172.771 173.560 -0.789 25627
7875 1 16 . 1 1 12 12 SER CA C 12 56.498 56.498 57.343 -0.845 25627
7876 1 16 . 1 1 12 12 SER CB C 12 65.418 65.418 66.060 -0.642 25627
7877 1 16 . 1 1 12 12 SER H H 12 8.782 8.782 9.235 -0.453 25627
7878 1 16 . 1 1 13 13 ARG N N 13 119.603 119.603 125.561 -5.958 25627
7879 1 16 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.528 0.348 25627
7880 1 16 . 1 1 13 13 ARG C C 13 176.720 176.720 176.280 0.440 25627
7881 1 16 . 1 1 13 13 ARG CA C 13 54.308 54.308 56.368 -2.060 25627
7882 1 16 . 1 1 13 13 ARG CB C 13 31.754 31.754 30.884 0.869 25627
7883 1 16 . 1 1 13 13 ARG H H 13 8.374 8.374 8.736 -0.362 25627
7884 1 16 . 1 1 14 14 ALA N N 14 127.004 127.004 124.082 2.922 25627
7885 1 16 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.410 -0.300 25627
7886 1 16 . 1 1 14 14 ALA C C 14 176.523 176.523 177.118 -0.595 25627
7887 1 16 . 1 1 14 14 ALA CA C 14 52.542 52.542 51.966 0.576 25627
7888 1 16 . 1 1 14 14 ALA CB C 14 20.087 20.087 20.200 -0.113 25627
7889 1 16 . 1 1 14 14 ALA H H 14 8.725 8.725 8.423 0.302 25627
7890 1 16 . 1 1 15 15 LYS N N 15 117.157 117.157 119.256 -2.099 25627
7891 1 16 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.375 -0.003 25627
7892 1 16 . 1 1 15 15 LYS C C 15 176.383 176.383 177.265 -0.882 25627
7893 1 16 . 1 1 15 15 LYS CA C 15 56.626 56.626 58.116 -1.490 25627
7894 1 16 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.252 1.358 25627
7895 1 16 . 1 1 15 15 LYS H H 15 8.518 8.518 8.636 -0.118 25627
7896 1 16 . 1 1 16 16 LYS N N 16 116.265 116.265 115.600 0.665 25627
7897 1 16 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.479 0.096 25627
7898 1 16 . 1 1 16 16 LYS C C 16 174.584 174.584 174.787 -0.203 25627
7899 1 16 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.860 -0.166 25627
7900 1 16 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.528 1.076 25627
7901 1 16 . 1 1 16 16 LYS H H 16 7.429 7.429 7.609 -0.180 25627
7902 1 16 . 1 1 17 17 TRP N N 17 123.638 123.638 121.921 1.717 25627
7903 1 16 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.706 -0.921 25627
7904 1 16 . 1 1 17 17 TRP C C 17 174.781 174.781 175.009 -0.228 25627
7905 1 16 . 1 1 17 17 TRP CA C 17 61.877 61.877 57.760 4.117 25627
7906 1 16 . 1 1 17 17 TRP CB C 17 28.921 28.921 30.029 -1.108 25627
7907 1 16 . 1 1 17 17 TRP H H 17 9.412 9.412 8.582 0.830 25627
7908 1 16 . 1 1 18 18 SER N N 18 119.926 119.926 120.823 -0.897 25627
7909 1 16 . 1 1 18 18 SER HA H 18 3.831 3.831 3.929 -0.098 25627
7910 1 16 . 1 1 18 18 SER C C 18 172.100 172.100 173.856 -1.756 25627
7911 1 16 . 1 1 18 18 SER CA C 18 56.830 56.830 56.568 0.262 25627
7912 1 16 . 1 1 18 18 SER CB C 18 66.241 66.241 66.769 -0.528 25627
7913 1 16 . 1 1 18 18 SER H H 18 6.081 6.081 7.979 -1.898 25627
7914 1 16 . 1 1 19 19 GLU N N 19 120.673 120.673 123.716 -3.043 25627
7915 1 16 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.996 -0.349 25627
7916 1 16 . 1 1 19 19 GLU C C 19 177.682 177.682 178.096 -0.414 25627
7917 1 16 . 1 1 19 19 GLU CA C 19 60.579 60.579 60.211 0.368 25627
7918 1 16 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.765 -1.142 25627
7919 1 16 . 1 1 19 19 GLU H H 19 9.355 9.355 8.838 0.517 25627
7920 1 16 . 1 1 20 20 GLU N N 20 117.979 117.979 118.061 -0.082 25627
7921 1 16 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.114 0.110 25627
7922 1 16 . 1 1 20 20 GLU C C 20 179.454 179.454 178.649 0.805 25627
7923 1 16 . 1 1 20 20 GLU CA C 20 59.251 59.251 59.345 -0.094 25627
7924 1 16 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.036 0.679 25627
7925 1 16 . 1 1 20 20 GLU H H 20 7.946 7.946 8.651 -0.705 25627
7926 1 16 . 1 1 21 21 ILE N N 21 121.560 121.560 120.009 1.551 25627
7927 1 16 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.936 -0.159 25627
7928 1 16 . 1 1 21 21 ILE C C 21 176.700 176.700 178.358 -1.658 25627
7929 1 16 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.952 -0.973 25627
7930 1 16 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.806 -0.711 25627
7931 1 16 . 1 1 21 21 ILE H H 21 7.122 7.122 7.915 -0.793 25627
7932 1 16 . 1 1 22 22 GLU N N 22 121.372 121.372 120.118 1.254 25627
7933 1 16 . 1 1 22 22 GLU HA H 22 3.999 3.999 4.054 -0.055 25627
7934 1 16 . 1 1 22 22 GLU C C 22 178.416 178.416 178.835 -0.419 25627
7935 1 16 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.042 -1.024 25627
7936 1 16 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.368 -1.216 25627
7937 1 16 . 1 1 22 22 GLU H H 22 8.017 8.017 8.328 -0.311 25627
7938 1 16 . 1 1 23 23 ASN N N 23 114.717 114.717 118.066 -3.349 25627
7939 1 16 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.625 0.112 25627
7940 1 16 . 1 1 23 23 ASN C C 23 177.565 177.565 177.805 -0.240 25627
7941 1 16 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.510 -0.146 25627
7942 1 16 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.609 0.197 25627
7943 1 16 . 1 1 23 23 ASN H H 23 7.352 7.352 7.922 -0.570 25627
7944 1 16 . 1 1 24 24 LEU N N 24 122.083 122.083 120.680 1.403 25627
7945 1 16 . 1 1 24 24 LEU HA H 24 4.403 4.403 4.024 0.379 25627
7946 1 16 . 1 1 24 24 LEU C C 24 178.487 178.487 179.224 -0.737 25627
7947 1 16 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.194 1.303 25627
7948 1 16 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.897 0.338 25627
7949 1 16 . 1 1 24 24 LEU H H 24 8.232 8.232 7.752 0.480 25627
7950 1 16 . 1 1 25 25 TYR N N 25 118.898 118.898 120.252 -1.354 25627
7951 1 16 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.218 -0.143 25627
7952 1 16 . 1 1 25 25 TYR C C 25 177.164 177.164 177.817 -0.653 25627
7953 1 16 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.345 0.196 25627
7954 1 16 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.428 -0.894 25627
7955 1 16 . 1 1 25 25 TYR H H 25 9.056 9.056 8.437 0.619 25627
7956 1 16 . 1 1 26 26 ARG N N 26 119.000 119.000 119.113 -0.113 25627
7957 1 16 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.759 -0.401 25627
7958 1 16 . 1 1 26 26 ARG C C 26 179.709 179.709 178.803 0.906 25627
7959 1 16 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.998 0.271 25627
7960 1 16 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.799 -1.205 25627
7961 1 16 . 1 1 26 26 ARG H H 26 7.672 7.672 8.426 -0.754 25627
7962 1 16 . 1 1 27 27 PHE N N 27 119.640 119.640 119.347 0.293 25627
7963 1 16 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.142 -0.272 25627
7964 1 16 . 1 1 27 27 PHE C C 27 178.542 178.542 178.100 0.442 25627
7965 1 16 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.489 1.943 25627
7966 1 16 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.799 -0.839 25627
7967 1 16 . 1 1 27 27 PHE H H 27 8.497 8.497 8.840 -0.343 25627
7968 1 16 . 1 1 28 28 GLN N N 28 120.400 120.400 119.411 0.989 25627
7969 1 16 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.082 0.643 25627
7970 1 16 . 1 1 28 28 GLN C C 28 182.258 182.258 178.919 3.339 25627
7971 1 16 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.813 0.150 25627
7972 1 16 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.652 -1.891 25627
7973 1 16 . 1 1 28 28 GLN H H 28 8.995 8.995 8.744 0.251 25627
7974 1 16 . 1 1 29 29 GLN N N 29 122.649 122.649 118.373 4.276 25627
7975 1 16 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.803 0.153 25627
7976 1 16 . 1 1 29 29 GLN C C 29 177.046 177.046 176.904 0.142 25627
7977 1 16 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.132 0.097 25627
7978 1 16 . 1 1 29 29 GLN CB C 29 29.211 29.211 27.603 1.608 25627
7979 1 16 . 1 1 29 29 GLN H H 29 8.728 8.728 8.204 0.524 25627
7980 1 16 . 1 1 30 30 ALA N N 30 117.672 117.672 117.704 -0.032 25627
7981 1 16 . 1 1 30 30 ALA HA H 30 4.129 4.129 4.153 -0.024 25627
7982 1 16 . 1 1 30 30 ALA C C 30 175.371 175.371 176.901 -1.530 25627
7983 1 16 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.153 0.060 25627
7984 1 16 . 1 1 30 30 ALA CB C 30 19.196 19.196 19.663 -0.467 25627
7985 1 16 . 1 1 30 30 ALA H H 30 7.120 7.120 7.831 -0.711 25627
7986 1 16 . 1 1 31 31 GLY N N 31 103.200 103.200 104.039 -0.839 25627
7987 1 16 . 1 1 31 31 GLY C C 31 173.625 173.625 173.867 -0.242 25627
7988 1 16 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.607 0.701 25627
7989 1 16 . 1 1 31 31 GLY H H 31 7.474 7.474 7.987 -0.513 25627
7990 1 16 . 1 1 32 32 TYR N N 32 121.303 121.303 119.953 1.350 25627
7991 1 16 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.729 0.208 25627
7992 1 16 . 1 1 32 32 TYR C C 32 174.419 174.419 175.952 -1.533 25627
7993 1 16 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.641 0.571 25627
7994 1 16 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.192 2.222 25627
7995 1 16 . 1 1 32 32 TYR H H 32 8.403 8.403 7.513 0.890 25627
7996 1 16 . 1 1 33 33 ARG N N 33 118.245 118.245 119.468 -1.223 25627
7997 1 16 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.863 0.088 25627
7998 1 16 . 1 1 33 33 ARG C C 33 175.618 175.618 174.791 0.827 25627
7999 1 16 . 1 1 33 33 ARG CA C 33 60.574 60.574 56.859 3.715 25627
8000 1 16 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.179 1.806 25627
8001 1 16 . 1 1 33 33 ARG H H 33 9.571 9.571 8.698 0.873 25627
8002 1 16 . 1 1 34 34 ASP N N 34 105.630 105.630 114.455 -8.825 25627
8003 1 16 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.461 -0.638 25627
8004 1 16 . 1 1 34 34 ASP C C 34 174.754 174.754 176.129 -1.375 25627
8005 1 16 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.101 0.164 25627
8006 1 16 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.050 -2.231 25627
8007 1 16 . 1 1 34 34 ASP H H 34 6.995 6.995 7.619 -0.624 25627
8008 1 16 . 1 1 35 35 GLU N N 35 118.215 118.215 119.063 -0.848 25627
8009 1 16 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.516 -0.613 25627
8010 1 16 . 1 1 35 35 GLU C C 35 177.043 177.043 178.190 -1.147 25627
8011 1 16 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.012 -0.411 25627
8012 1 16 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.002 1.111 25627
8013 1 16 . 1 1 35 35 GLU H H 35 7.818 7.818 8.368 -0.550 25627
8014 1 16 . 1 1 36 36 ILE N N 36 118.404 118.404 120.965 -2.561 25627
8015 1 16 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.622 -0.201 25627
8016 1 16 . 1 1 36 36 ILE C C 36 179.143 179.143 178.095 1.048 25627
8017 1 16 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.234 -0.774 25627
8018 1 16 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.634 -1.132 25627
8019 1 16 . 1 1 36 36 ILE H H 36 6.833 6.833 7.408 -0.575 25627
8020 1 16 . 1 1 37 37 GLU N N 37 120.573 120.573 119.547 1.026 25627
8021 1 16 . 1 1 37 37 GLU HA H 37 4.006 4.006 3.940 0.066 25627
8022 1 16 . 1 1 37 37 GLU C C 37 178.417 178.417 178.260 0.157 25627
8023 1 16 . 1 1 37 37 GLU CA C 37 59.424 59.424 59.006 0.418 25627
8024 1 16 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.249 0.649 25627
8025 1 16 . 1 1 37 37 GLU H H 37 8.463 8.463 7.996 0.467 25627
8026 1 16 . 1 1 38 38 TYR N N 38 117.942 117.942 120.750 -2.808 25627
8027 1 16 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.085 0.398 25627
8028 1 16 . 1 1 38 38 TYR C C 38 176.772 176.772 177.374 -0.602 25627
8029 1 16 . 1 1 38 38 TYR CA C 38 62.767 62.767 60.672 2.095 25627
8030 1 16 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.282 1.697 25627
8031 1 16 . 1 1 38 38 TYR H H 38 7.949 7.949 7.515 0.434 25627
8032 1 16 . 1 1 39 39 LYS N N 39 115.539 115.539 117.835 -2.296 25627
8033 1 16 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.422 0.226 25627
8034 1 16 . 1 1 39 39 LYS C C 39 179.543 179.543 178.826 0.717 25627
8035 1 16 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.645 1.002 25627
8036 1 16 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.864 0.359 25627
8037 1 16 . 1 1 39 39 LYS H H 39 8.287 8.287 8.228 0.059 25627
8038 1 16 . 1 1 40 40 GLN N N 40 118.265 118.265 119.332 -1.067 25627
8039 1 16 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.111 -0.100 25627
8040 1 16 . 1 1 40 40 GLN C C 40 178.263 178.263 177.753 0.510 25627
8041 1 16 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.514 0.239 25627
8042 1 16 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.575 0.001 25627
8043 1 16 . 1 1 40 40 GLN H H 40 7.605 7.605 7.450 0.155 25627
8044 1 16 . 1 1 41 41 VAL N N 41 118.627 118.627 118.702 -0.075 25627
8045 1 16 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.722 0.040 25627
8046 1 16 . 1 1 41 41 VAL C C 41 178.092 178.092 177.922 0.170 25627
8047 1 16 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.531 0.178 25627
8048 1 16 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.850 0.792 25627
8049 1 16 . 1 1 41 41 VAL H H 41 8.470 8.470 7.563 0.907 25627
8050 1 16 . 1 1 42 42 LYS N N 42 115.117 115.117 116.439 -1.322 25627
8051 1 16 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.337 -0.087 25627
8052 1 16 . 1 1 42 42 LYS C C 42 176.102 176.102 175.914 0.188 25627
8053 1 16 . 1 1 42 42 LYS CA C 42 53.901 53.901 55.045 -1.145 25627
8054 1 16 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.726 -1.561 25627
8055 1 16 . 1 1 42 42 LYS H H 42 8.263 8.263 7.463 0.800 25627
8056 1 16 . 1 1 43 43 GLN N N 43 116.108 116.108 116.678 -0.570 25627
8057 1 16 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.969 -0.001 25627
8058 1 16 . 1 1 43 43 GLN C C 43 175.125 175.125 175.728 -0.603 25627
8059 1 16 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.902 -0.347 25627
8060 1 16 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.765 0.148 25627
8061 1 16 . 1 1 43 43 GLN H H 43 7.717 7.717 7.837 -0.120 25627
8062 1 16 . 1 1 44 44 VAL N N 44 110.285 110.285 116.445 -6.160 25627
8063 1 16 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.284 0.274 25627
8064 1 16 . 1 1 44 44 VAL C C 44 175.431 175.431 176.531 -1.100 25627
8065 1 16 . 1 1 44 44 VAL CA C 44 59.240 59.240 62.125 -2.885 25627
8066 1 16 . 1 1 44 44 VAL CB C 44 34.732 34.732 32.368 2.364 25627
8067 1 16 . 1 1 44 44 VAL H H 44 6.817 6.817 7.598 -0.781 25627
8068 1 16 . 1 1 45 45 ALA N N 45 123.422 123.422 117.957 5.465 25627
8069 1 16 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.328 0.027 25627
8070 1 16 . 1 1 45 45 ALA C C 45 177.543 177.543 175.956 1.587 25627
8071 1 16 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.740 0.081 25627
8072 1 16 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.095 0.717 25627
8073 1 16 . 1 1 45 45 ALA H H 45 8.571 8.571 8.134 0.437 25627
8074 1 16 . 1 1 46 46 MET N N 46 114.808 114.808 115.553 -0.745 25627
8075 1 16 . 1 1 46 46 MET HA H 46 4.724 4.724 4.859 -0.135 25627
8076 1 16 . 1 1 46 46 MET C C 46 173.698 173.698 174.476 -0.778 25627
8077 1 16 . 1 1 46 46 MET CA C 46 54.230 54.230 54.966 -0.736 25627
8078 1 16 . 1 1 46 46 MET CB C 46 34.793 34.793 35.366 -0.573 25627
8079 1 16 . 1 1 46 46 MET H H 46 7.657 7.657 7.582 0.075 25627
8080 1 16 . 1 1 47 47 VAL N N 47 120.757 120.757 121.587 -0.830 25627
8081 1 16 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.492 -0.213 25627
8082 1 16 . 1 1 47 47 VAL C C 47 174.985 174.985 175.470 -0.485 25627
8083 1 16 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.312 -0.276 25627
8084 1 16 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.139 0.687 25627
8085 1 16 . 1 1 47 47 VAL H H 47 8.459 8.459 8.372 0.087 25627
8086 1 16 . 1 1 48 48 ASP N N 48 126.251 126.251 125.896 0.355 25627
8087 1 16 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.558 -0.085 25627
8088 1 16 . 1 1 48 48 ASP C C 48 175.819 175.819 175.548 0.271 25627
8089 1 16 . 1 1 48 48 ASP CA C 48 55.472 55.472 55.757 -0.285 25627
8090 1 16 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.678 0.456 25627
8091 1 16 . 1 1 48 48 ASP H H 48 8.929 8.929 8.616 0.313 25627
8092 1 16 . 1 1 49 49 ARG N N 49 122.995 122.995 121.008 1.987 25627
8093 1 16 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.475 -0.716 25627
8094 1 16 . 1 1 49 49 ARG C C 49 176.363 176.363 175.432 0.931 25627
8095 1 16 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.517 0.097 25627
8096 1 16 . 1 1 49 49 ARG CB C 49 34.470 34.470 35.025 -0.555 25627
8097 1 16 . 1 1 49 49 ARG H H 49 8.534 8.534 8.274 0.260 25627
8098 1 16 . 1 1 50 50 TRP N N 50 125.191 125.191 122.697 2.494 25627
8099 1 16 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.161 -0.497 25627
8100 1 16 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.681 -0.086 25627
8101 1 16 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.022 0.091 25627
8102 1 16 . 1 1 50 50 TRP H H 50 9.111 9.111 8.469 0.642 25627
8103 1 16 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.232 0.113 25627
8104 1 16 . 1 1 51 51 PRO C C 51 178.698 178.698 177.525 1.173 25627
8105 1 16 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.389 -0.815 25627
8106 1 16 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.009 0.154 25627
8107 1 16 . 1 1 52 52 GLU N N 52 116.570 116.570 118.343 -1.773 25627
8108 1 16 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.213 -0.243 25627
8109 1 16 . 1 1 52 52 GLU C C 52 178.031 178.031 177.968 0.063 25627
8110 1 16 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.738 2.020 25627
8111 1 16 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.360 0.254 25627
8112 1 16 . 1 1 52 52 GLU H H 52 9.951 9.951 9.056 0.895 25627
8113 1 16 . 1 1 53 53 THR N N 53 103.788 103.788 106.897 -3.109 25627
8114 1 16 . 1 1 53 53 THR HA H 53 4.135 4.135 4.502 -0.367 25627
8115 1 16 . 1 1 53 53 THR C C 53 175.731 175.731 175.081 0.650 25627
8116 1 16 . 1 1 53 53 THR CA C 53 60.427 60.427 61.834 -1.407 25627
8117 1 16 . 1 1 53 53 THR CB C 53 70.762 70.762 71.185 -0.423 25627
8118 1 16 . 1 1 53 53 THR H H 53 7.120 7.120 7.735 -0.615 25627
8119 1 16 . 1 1 54 54 GLY N N 54 109.195 109.195 110.600 -1.405 25627
8120 1 16 . 1 1 54 54 GLY C C 54 174.593 174.593 173.986 0.607 25627
8121 1 16 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.197 0.551 25627
8122 1 16 . 1 1 54 54 GLY H H 54 8.227 8.227 8.518 -0.291 25627
8123 1 16 . 1 1 55 55 TYR N N 55 119.038 119.038 119.837 -0.799 25627
8124 1 16 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.732 0.973 25627
8125 1 16 . 1 1 55 55 TYR C C 55 177.556 177.556 175.985 1.571 25627
8126 1 16 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.673 -3.943 25627
8127 1 16 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.778 -1.037 25627
8128 1 16 . 1 1 55 55 TYR H H 55 7.353 7.353 7.391 -0.038 25627
8129 1 16 . 1 1 56 56 VAL N N 56 120.089 120.089 121.813 -1.724 25627
8130 1 16 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.065 -0.452 25627
8131 1 16 . 1 1 56 56 VAL C C 56 174.564 174.564 176.444 -1.880 25627
8132 1 16 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.189 0.578 25627
8133 1 16 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.428 1.339 25627
8134 1 16 . 1 1 56 56 VAL H H 56 8.252 8.252 8.574 -0.322 25627
8135 1 16 . 1 1 57 57 LYS N N 57 127.233 127.233 128.041 -0.808 25627
8136 1 16 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.786 -0.338 25627
8137 1 16 . 1 1 57 57 LYS C C 57 175.256 175.256 176.290 -1.034 25627
8138 1 16 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.117 -1.134 25627
8139 1 16 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.892 1.358 25627
8140 1 16 . 1 1 57 57 LYS H H 57 9.005 9.005 9.214 -0.209 25627
8141 1 16 . 1 1 58 58 LYS N N 58 115.918 115.918 114.758 1.160 25627
8142 1 16 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.149 0.221 25627
8143 1 16 . 1 1 58 58 LYS C C 58 174.030 174.030 174.397 -0.367 25627
8144 1 16 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.085 -0.231 25627
8145 1 16 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.257 -0.434 25627
8146 1 16 . 1 1 58 58 LYS H H 58 6.921 6.921 7.525 -0.604 25627
8147 1 16 . 1 1 59 59 LEU N N 59 121.666 121.666 121.302 0.364 25627
8148 1 16 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.516 0.133 25627
8149 1 16 . 1 1 59 59 LEU C C 59 174.451 174.451 175.252 -0.801 25627
8150 1 16 . 1 1 59 59 LEU CA C 59 53.472 53.472 53.490 -0.018 25627
8151 1 16 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.159 0.780 25627
8152 1 16 . 1 1 59 59 LEU H H 59 8.793 8.793 8.830 -0.037 25627
8153 1 16 . 1 1 60 60 GLN N N 60 121.710 121.710 124.685 -2.975 25627
8154 1 16 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.468 -0.032 25627
8155 1 16 . 1 1 60 60 GLN C C 60 176.636 176.636 175.561 1.075 25627
8156 1 16 . 1 1 60 60 GLN CA C 60 54.917 54.917 56.196 -1.279 25627
8157 1 16 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.549 0.787 25627
8158 1 16 . 1 1 60 60 GLN H H 60 8.879 8.879 8.621 0.258 25627
8159 1 16 . 1 1 61 61 ARG N N 61 126.172 126.172 124.512 1.660 25627
8160 1 16 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.363 0.180 25627
8161 1 16 . 1 1 61 61 ARG C C 61 178.315 178.315 177.554 0.761 25627
8162 1 16 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.516 2.057 25627
8163 1 16 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.837 1.064 25627
8164 1 16 . 1 1 61 61 ARG H H 61 9.387 9.387 8.566 0.821 25627
8165 1 16 . 1 1 62 62 ARG N N 62 123.754 123.754 119.811 3.943 25627
8166 1 16 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.061 -0.193 25627
8167 1 16 . 1 1 62 62 ARG C C 62 176.508 176.508 176.361 0.147 25627
8168 1 16 . 1 1 62 62 ARG CA C 62 59.863 59.863 57.773 2.090 25627
8169 1 16 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.794 -0.330 25627
8170 1 16 . 1 1 62 62 ARG H H 62 9.385 9.385 8.482 0.903 25627
8171 1 16 . 1 1 63 63 ASP N N 63 116.155 116.155 117.702 -1.547 25627
8172 1 16 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.706 -0.275 25627
8173 1 16 . 1 1 63 63 ASP C C 63 176.163 176.163 175.505 0.658 25627
8174 1 16 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.984 -0.798 25627
8175 1 16 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.482 -0.726 25627
8176 1 16 . 1 1 63 63 ASP H H 63 7.505 7.505 8.362 -0.857 25627
8177 1 16 . 1 1 64 64 ASN N N 64 110.183 110.183 115.983 -5.800 25627
8178 1 16 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.278 -0.191 25627
8179 1 16 . 1 1 64 64 ASN C C 64 175.432 175.432 173.814 1.618 25627
8180 1 16 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.452 0.979 25627
8181 1 16 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.741 -0.707 25627
8182 1 16 . 1 1 64 64 ASN H H 64 7.791 7.791 7.997 -0.206 25627
8183 1 16 . 1 1 65 65 THR N N 65 112.736 112.736 110.417 2.319 25627
8184 1 16 . 1 1 65 65 THR HA H 65 4.414 4.414 4.436 -0.022 25627
8185 1 16 . 1 1 65 65 THR C C 65 173.653 173.653 173.777 -0.124 25627
8186 1 16 . 1 1 65 65 THR CA C 65 62.342 62.342 60.612 1.730 25627
8187 1 16 . 1 1 65 65 THR CB C 65 70.946 70.946 70.621 0.325 25627
8188 1 16 . 1 1 65 65 THR H H 65 7.921 7.921 7.198 0.723 25627
8189 1 16 . 1 1 66 66 PHE N N 66 118.850 118.850 125.290 -6.440 25627
8190 1 16 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.553 0.591 25627
8191 1 16 . 1 1 66 66 PHE C C 66 174.762 174.762 175.073 -0.311 25627
8192 1 16 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.532 -0.053 25627
8193 1 16 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.071 3.192 25627
8194 1 16 . 1 1 66 66 PHE H H 66 8.926 8.926 8.815 0.111 25627
8195 1 16 . 1 1 67 67 PHE N N 67 124.259 124.259 127.104 -2.845 25627
8196 1 16 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.818 -0.154 25627
8197 1 16 . 1 1 67 67 PHE C C 67 173.553 173.553 173.301 0.252 25627
8198 1 16 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.256 -0.352 25627
8199 1 16 . 1 1 67 67 PHE CB C 67 42.337 42.337 41.880 0.457 25627
8200 1 16 . 1 1 67 67 PHE H H 67 9.142 9.142 8.377 0.765 25627
8201 1 16 . 1 1 68 68 TYR N N 68 122.881 122.881 126.954 -4.073 25627
8202 1 16 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.680 0.191 25627
8203 1 16 . 1 1 68 68 TYR C C 68 174.835 174.835 175.302 -0.467 25627
8204 1 16 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.724 -1.331 25627
8205 1 16 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.917 1.272 25627
8206 1 16 . 1 1 68 68 TYR H H 68 8.064 8.064 8.347 -0.283 25627
8207 1 16 . 1 1 69 69 TYR N N 69 118.675 118.675 123.898 -5.223 25627
8208 1 16 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.752 0.273 25627
8209 1 16 . 1 1 69 69 TYR C C 69 177.181 177.181 175.427 1.754 25627
8210 1 16 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.252 -0.340 25627
8211 1 16 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.111 2.312 25627
8212 1 16 . 1 1 69 69 TYR H H 69 8.384 8.384 9.103 -0.719 25627
8213 1 16 . 1 1 70 70 ASN N N 70 122.917 122.917 119.958 2.959 25627
8214 1 16 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.802 -0.007 25627
8215 1 16 . 1 1 70 70 ASN C C 70 175.433 175.433 176.109 -0.676 25627
8216 1 16 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.032 1.327 25627
8217 1 16 . 1 1 70 70 ASN CB C 70 39.377 39.377 38.972 0.405 25627
8218 1 16 . 1 1 70 70 ASN H H 70 9.832 9.832 8.675 1.157 25627
8219 1 16 . 1 1 71 71 LYS N N 71 123.116 123.116 124.154 -1.038 25627
8220 1 16 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.072 -1.833 25627
8221 1 16 . 1 1 71 71 LYS C C 71 175.495 175.495 176.853 -1.358 25627
8222 1 16 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.396 0.025 25627
8223 1 16 . 1 1 71 71 LYS CB C 71 32.077 32.077 31.978 0.099 25627
8224 1 16 . 1 1 71 71 LYS H H 71 8.047 8.047 8.362 -0.315 25627
8225 1 16 . 1 1 72 72 GLU N N 72 113.242 113.242 120.080 -6.838 25627
8226 1 16 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.308 0.070 25627
8227 1 16 . 1 1 72 72 GLU C C 72 175.018 175.018 175.143 -0.125 25627
8228 1 16 . 1 1 72 72 GLU CA C 72 54.807 54.807 56.242 -1.435 25627
8229 1 16 . 1 1 72 72 GLU CB C 72 30.432 30.432 30.606 -0.174 25627
8230 1 16 . 1 1 72 72 GLU H H 72 7.335 7.335 7.935 -0.600 25627
8231 1 16 . 1 1 73 73 ARG N N 73 118.120 118.120 121.395 -3.275 25627
8232 1 16 . 1 1 73 73 ARG HA H 73 3.354 3.354 4.412 -1.058 25627
8233 1 16 . 1 1 73 73 ARG C C 73 175.859 175.859 175.495 0.364 25627
8234 1 16 . 1 1 73 73 ARG CA C 73 57.674 57.674 54.946 2.728 25627
8235 1 16 . 1 1 73 73 ARG CB C 73 31.134 31.134 31.340 -0.205 25627
8236 1 16 . 1 1 73 73 ARG H H 73 8.174 8.174 8.541 -0.367 25627
8237 1 16 . 1 1 74 74 GLU N N 74 127.360 127.360 122.165 5.195 25627
8238 1 16 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.233 0.260 25627
8239 1 16 . 1 1 74 74 GLU C C 74 176.415 176.415 175.162 1.253 25627
8240 1 16 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.628 1.433 25627
8241 1 16 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.207 4.255 25627
8242 1 16 . 1 1 74 74 GLU H H 74 10.788 10.788 8.521 2.267 25627
8243 1 16 . 1 1 75 75 CYS N N 75 123.441 123.441 119.424 4.017 25627
8244 1 16 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.303 -0.827 25627
8245 1 16 . 1 1 75 75 CYS C C 75 174.198 174.198 173.791 0.407 25627
8246 1 16 . 1 1 75 75 CYS CA C 75 59.022 59.022 59.024 -0.002 25627
8247 1 16 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.642 -2.421 25627
8248 1 16 . 1 1 75 75 CYS H H 75 9.198 9.198 7.566 1.632 25627
8249 1 16 . 1 1 76 76 GLU N N 76 131.177 131.177 124.493 6.684 25627
8250 1 16 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.297 -0.302 25627
8251 1 16 . 1 1 76 76 GLU C C 76 177.122 177.122 175.743 1.379 25627
8252 1 16 . 1 1 76 76 GLU CA C 76 56.816 56.816 55.164 1.652 25627
8253 1 16 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.088 -1.420 25627
8254 1 16 . 1 1 76 76 GLU H H 76 8.452 8.452 8.022 0.430 25627
8255 1 16 . 1 1 77 77 ASP N N 77 123.154 123.154 120.643 2.511 25627
8256 1 16 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.201 0.135 25627
8257 1 16 . 1 1 77 77 ASP C C 77 179.545 179.545 177.009 2.536 25627
8258 1 16 . 1 1 77 77 ASP CA C 77 58.610 58.610 56.889 1.721 25627
8259 1 16 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.094 -0.145 25627
8260 1 16 . 1 1 77 77 ASP H H 77 9.067 9.067 8.725 0.342 25627
8261 1 16 . 1 1 78 78 LYS N N 78 116.055 116.055 118.514 -2.459 25627
8262 1 16 . 1 1 78 78 LYS HA H 78 4.298 4.298 3.953 0.345 25627
8263 1 16 . 1 1 78 78 LYS C C 78 176.146 176.146 178.875 -2.729 25627
8264 1 16 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.047 -0.563 25627
8265 1 16 . 1 1 78 78 LYS CB C 78 31.840 31.840 31.855 -0.015 25627
8266 1 16 . 1 1 78 78 LYS H H 78 8.664 8.664 8.060 0.604 25627
8267 1 16 . 1 1 79 79 GLU N N 79 117.481 117.481 119.587 -2.106 25627
8268 1 16 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.176 0.271 25627
8269 1 16 . 1 1 79 79 GLU C C 79 177.666 177.666 178.921 -1.255 25627
8270 1 16 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.245 -2.640 25627
8271 1 16 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.633 1.355 25627
8272 1 16 . 1 1 79 79 GLU H H 79 7.735 7.735 7.883 -0.148 25627
8273 1 16 . 1 1 80 80 VAL N N 80 121.192 121.192 119.619 1.573 25627
8274 1 16 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.599 -0.356 25627
8275 1 16 . 1 1 80 80 VAL C C 80 176.731 176.731 177.796 -1.065 25627
8276 1 16 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.812 0.063 25627
8277 1 16 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.678 0.495 25627
8278 1 16 . 1 1 80 80 VAL H H 80 7.274 7.274 7.630 -0.356 25627
8279 1 16 . 1 1 81 81 HIS N N 81 112.861 112.861 116.707 -3.846 25627
8280 1 16 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.376 0.272 25627
8281 1 16 . 1 1 81 81 HIS C C 81 175.330 175.330 177.580 -2.250 25627
8282 1 16 . 1 1 81 81 HIS CA C 81 57.747 57.747 57.819 -0.071 25627
8283 1 16 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.064 -0.884 25627
8284 1 16 . 1 1 81 81 HIS H H 81 8.157 8.157 7.454 0.703 25627
8285 1 16 . 1 1 82 82 LYS N N 82 117.850 117.850 117.704 0.146 25627
8286 1 16 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.158 -0.147 25627
8287 1 16 . 1 1 82 82 LYS C C 82 177.430 177.430 177.142 0.288 25627
8288 1 16 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.793 -1.202 25627
8289 1 16 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.825 0.258 25627
8290 1 16 . 1 1 82 82 LYS H H 82 7.264 7.264 7.468 -0.204 25627
8291 1 16 . 1 1 83 83 VAL N N 83 123.619 123.619 119.951 3.668 25627
8292 1 16 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.141 -0.261 25627
8293 1 16 . 1 1 83 83 VAL C C 83 175.239 175.239 174.952 0.287 25627
8294 1 16 . 1 1 83 83 VAL CA C 83 63.812 63.812 61.759 2.053 25627
8295 1 16 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.363 -0.815 25627
8296 1 16 . 1 1 83 83 VAL H H 83 8.126 8.126 7.904 0.222 25627
8297 1 16 . 1 1 84 84 LYS N N 84 128.994 128.994 125.769 3.225 25627
8298 1 16 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.561 -0.108 25627
8299 1 16 . 1 1 84 84 LYS C C 84 174.399 174.399 175.082 -0.683 25627
8300 1 16 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.951 0.866 25627
8301 1 16 . 1 1 84 84 LYS CB C 84 34.106 34.106 33.962 0.144 25627
8302 1 16 . 1 1 84 84 LYS H H 84 9.031 9.031 8.362 0.669 25627
8303 1 16 . 1 1 85 85 VAL N N 85 120.723 120.723 123.264 -2.541 25627
8304 1 16 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.537 -0.507 25627
8305 1 16 . 1 1 85 85 VAL C C 85 175.482 175.482 174.792 0.690 25627
8306 1 16 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.156 0.486 25627
8307 1 16 . 1 1 85 85 VAL CB C 85 32.488 32.488 34.866 -2.378 25627
8308 1 16 . 1 1 85 85 VAL H H 85 8.299 8.299 8.264 0.035 25627
8309 1 16 . 1 1 86 86 TYR N N 86 126.214 126.214 128.346 -2.132 25627
8310 1 16 . 1 1 86 86 TYR HA H 86 4.726 4.726 5.252 -0.526 25627
8311 1 16 . 1 1 86 86 TYR C C 86 175.214 175.214 174.501 0.713 25627
8312 1 16 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.302 3.238 25627
8313 1 16 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.612 1.440 25627
8314 1 16 . 1 1 86 86 TYR H H 86 8.077 8.077 8.927 -0.850 25627
8315 1 16 . 1 1 87 87 VAL N N 87 123.680 123.680 125.372 -1.692 25627
8316 1 16 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.165 0.031 25627
8317 1 16 . 1 1 87 87 VAL C C 87 174.322 174.322 174.051 0.271 25627
8318 1 16 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.462 2.439 25627
8319 1 16 . 1 1 87 87 VAL CB C 87 33.779 33.779 35.692 -1.913 25627
8320 1 16 . 1 1 87 87 VAL H H 87 8.133 8.133 8.724 -0.591 25627
8321 1 17 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.697 -0.567 25627
8322 1 17 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 55.835 -0.986 25627
8323 1 17 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 29.977 1.696 25627
8324 1 17 . 1 1 0 0 MET N N 0 120.413 120.413 121.668 -1.255 25627
8325 1 17 . 1 1 0 0 MET HA H 0 4.350 4.350 4.213 0.137 25627
8326 1 17 . 1 1 0 0 MET C C 0 175.829 175.829 175.359 0.470 25627
8327 1 17 . 1 1 0 0 MET CA C 0 55.134 55.134 55.491 -0.357 25627
8328 1 17 . 1 1 0 0 MET CB C 0 32.391 32.391 31.775 0.616 25627
8329 1 17 . 1 1 0 0 MET H H 0 8.332 8.332 7.597 0.735 25627
8330 1 17 . 1 1 1 1 MET N N 1 121.120 121.120 123.798 -2.678 25627
8331 1 17 . 1 1 1 1 MET HA H 1 4.443 4.443 4.666 -0.223 25627
8332 1 17 . 1 1 1 1 MET C C 1 175.772 175.772 175.066 0.706 25627
8333 1 17 . 1 1 1 1 MET CA C 1 55.446 55.446 54.326 1.120 25627
8334 1 17 . 1 1 1 1 MET CB C 1 32.774 32.774 34.618 -1.844 25627
8335 1 17 . 1 1 1 1 MET H H 1 8.287 8.287 8.194 0.093 25627
8336 1 17 . 1 1 2 2 ALA N N 2 125.673 125.673 127.551 -1.878 25627
8337 1 17 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.606 -0.239 25627
8338 1 17 . 1 1 2 2 ALA C C 2 177.821 177.821 177.602 0.219 25627
8339 1 17 . 1 1 2 2 ALA CA C 2 52.568 52.568 51.811 0.757 25627
8340 1 17 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.475 -0.238 25627
8341 1 17 . 1 1 2 2 ALA H H 2 8.373 8.373 8.476 -0.103 25627
8342 1 17 . 1 1 3 3 THR N N 3 113.038 113.038 115.776 -2.738 25627
8343 1 17 . 1 1 3 3 THR HA H 3 4.354 4.354 3.867 0.487 25627
8344 1 17 . 1 1 3 3 THR C C 3 174.577 174.577 174.405 0.172 25627
8345 1 17 . 1 1 3 3 THR CA C 3 61.679 61.679 62.511 -0.832 25627
8346 1 17 . 1 1 3 3 THR CB C 3 69.864 69.864 68.378 1.486 25627
8347 1 17 . 1 1 3 3 THR H H 3 8.099 8.099 7.869 0.230 25627
8348 1 17 . 1 1 4 4 SER N N 4 117.235 117.235 114.775 2.460 25627
8349 1 17 . 1 1 4 4 SER HA H 4 4.440 4.440 4.254 0.186 25627
8350 1 17 . 1 1 4 4 SER C C 4 173.887 173.887 173.453 0.434 25627
8351 1 17 . 1 1 4 4 SER CA C 4 58.314 58.314 60.063 -1.749 25627
8352 1 17 . 1 1 4 4 SER CB C 4 63.951 63.951 62.234 1.717 25627
8353 1 17 . 1 1 4 4 SER H H 4 8.238 8.238 8.961 -0.723 25627
8354 1 17 . 1 1 5 5 ASP N N 5 122.543 122.543 119.991 2.552 25627
8355 1 17 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.774 -0.191 25627
8356 1 17 . 1 1 5 5 ASP C C 5 175.690 175.690 174.901 0.789 25627
8357 1 17 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.901 0.245 25627
8358 1 17 . 1 1 5 5 ASP CB C 5 41.166 41.166 41.278 -0.112 25627
8359 1 17 . 1 1 5 5 ASP H H 5 8.321 8.321 7.868 0.453 25627
8360 1 17 . 1 1 6 6 VAL N N 6 121.235 121.235 123.246 -2.011 25627
8361 1 17 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.369 -0.271 25627
8362 1 17 . 1 1 6 6 VAL C C 6 175.211 175.211 175.322 -0.111 25627
8363 1 17 . 1 1 6 6 VAL CA C 6 62.322 62.322 61.647 0.675 25627
8364 1 17 . 1 1 6 6 VAL CB C 6 32.581 32.581 33.964 -1.383 25627
8365 1 17 . 1 1 6 6 VAL H H 6 7.942 7.942 8.129 -0.187 25627
8366 1 17 . 1 1 7 7 LYS N N 7 125.356 125.356 129.484 -4.128 25627
8367 1 17 . 1 1 7 7 LYS CA C 7 53.311 53.311 53.458 -0.147 25627
8368 1 17 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.263 2.231 25627
8369 1 17 . 1 1 7 7 LYS H H 7 8.383 8.383 8.438 -0.055 25627
8370 1 17 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.591 -0.632 25627
8371 1 17 . 1 1 8 8 PRO C C 8 176.346 176.346 176.313 0.033 25627
8372 1 17 . 1 1 8 8 PRO CA C 8 62.993 62.993 62.742 0.251 25627
8373 1 17 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.610 -0.607 25627
8374 1 17 . 1 1 9 9 LYS N N 9 122.609 122.609 120.713 1.896 25627
8375 1 17 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.339 -0.052 25627
8376 1 17 . 1 1 9 9 LYS C C 9 177.164 177.164 176.683 0.481 25627
8377 1 17 . 1 1 9 9 LYS CA C 9 57.222 57.222 56.824 0.398 25627
8378 1 17 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.725 0.237 25627
8379 1 17 . 1 1 9 9 LYS H H 9 9.393 9.393 8.471 0.922 25627
8380 1 17 . 1 1 10 10 SER N N 10 111.655 111.655 113.309 -1.654 25627
8381 1 17 . 1 1 10 10 SER HA H 10 4.563 4.563 4.764 -0.201 25627
8382 1 17 . 1 1 10 10 SER C C 10 171.697 171.697 172.165 -0.468 25627
8383 1 17 . 1 1 10 10 SER CA C 10 57.614 57.614 57.941 -0.327 25627
8384 1 17 . 1 1 10 10 SER CB C 10 64.687 64.687 66.617 -1.930 25627
8385 1 17 . 1 1 10 10 SER H H 10 7.846 7.846 7.772 0.074 25627
8386 1 17 . 1 1 11 11 ILE N N 11 121.054 121.054 121.491 -0.437 25627
8387 1 17 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.746 -0.215 25627
8388 1 17 . 1 1 11 11 ILE C C 11 175.460 175.460 175.416 0.044 25627
8389 1 17 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.725 0.069 25627
8390 1 17 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.468 -0.363 25627
8391 1 17 . 1 1 11 11 ILE H H 11 8.128 8.128 8.498 -0.370 25627
8392 1 17 . 1 1 12 12 SER N N 12 122.340 122.340 122.193 0.147 25627
8393 1 17 . 1 1 12 12 SER HA H 12 4.757 4.757 4.957 -0.200 25627
8394 1 17 . 1 1 12 12 SER C C 12 172.771 172.771 172.752 0.019 25627
8395 1 17 . 1 1 12 12 SER CA C 12 56.498 56.498 55.950 0.548 25627
8396 1 17 . 1 1 12 12 SER CB C 12 65.418 65.418 65.281 0.137 25627
8397 1 17 . 1 1 12 12 SER H H 12 8.782 8.782 9.179 -0.397 25627
8398 1 17 . 1 1 13 13 ARG N N 13 119.603 119.603 120.953 -1.350 25627
8399 1 17 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.528 0.348 25627
8400 1 17 . 1 1 13 13 ARG C C 13 176.720 176.720 175.976 0.744 25627
8401 1 17 . 1 1 13 13 ARG CA C 13 54.308 54.308 53.833 0.475 25627
8402 1 17 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.903 -0.149 25627
8403 1 17 . 1 1 13 13 ARG H H 13 8.374 8.374 8.490 -0.116 25627
8404 1 17 . 1 1 14 14 ALA N N 14 127.004 127.004 128.115 -1.111 25627
8405 1 17 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.289 -0.179 25627
8406 1 17 . 1 1 14 14 ALA C C 14 176.523 176.523 177.038 -0.515 25627
8407 1 17 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.117 0.424 25627
8408 1 17 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.506 0.581 25627
8409 1 17 . 1 1 14 14 ALA H H 14 8.725 8.725 8.560 0.165 25627
8410 1 17 . 1 1 15 15 LYS N N 15 117.157 117.157 120.493 -3.336 25627
8411 1 17 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.121 0.251 25627
8412 1 17 . 1 1 15 15 LYS C C 15 176.383 176.383 176.360 0.023 25627
8413 1 17 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.216 -0.590 25627
8414 1 17 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.090 1.520 25627
8415 1 17 . 1 1 15 15 LYS H H 15 8.518 8.518 8.464 0.054 25627
8416 1 17 . 1 1 16 16 LYS N N 16 116.265 116.265 117.037 -0.772 25627
8417 1 17 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.435 0.140 25627
8418 1 17 . 1 1 16 16 LYS C C 16 174.584 174.584 174.540 0.044 25627
8419 1 17 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.847 -0.153 25627
8420 1 17 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.269 1.335 25627
8421 1 17 . 1 1 16 16 LYS H H 16 7.429 7.429 7.420 0.009 25627
8422 1 17 . 1 1 17 17 TRP N N 17 123.638 123.638 121.799 1.839 25627
8423 1 17 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.729 -0.944 25627
8424 1 17 . 1 1 17 17 TRP C C 17 174.781 174.781 174.744 0.037 25627
8425 1 17 . 1 1 17 17 TRP CA C 17 61.877 61.877 58.055 3.822 25627
8426 1 17 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.963 -1.042 25627
8427 1 17 . 1 1 17 17 TRP H H 17 9.412 9.412 8.471 0.941 25627
8428 1 17 . 1 1 18 18 SER N N 18 119.926 119.926 121.392 -1.466 25627
8429 1 17 . 1 1 18 18 SER HA H 18 3.831 3.831 4.028 -0.197 25627
8430 1 17 . 1 1 18 18 SER C C 18 172.100 172.100 174.401 -2.301 25627
8431 1 17 . 1 1 18 18 SER CA C 18 56.830 56.830 56.008 0.822 25627
8432 1 17 . 1 1 18 18 SER CB C 18 66.241 66.241 65.077 1.164 25627
8433 1 17 . 1 1 18 18 SER H H 18 6.081 6.081 7.894 -1.813 25627
8434 1 17 . 1 1 19 19 GLU N N 19 120.673 120.673 125.084 -4.411 25627
8435 1 17 . 1 1 19 19 GLU HA H 19 3.647 3.647 4.164 -0.517 25627
8436 1 17 . 1 1 19 19 GLU C C 19 177.682 177.682 177.780 -0.098 25627
8437 1 17 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.227 1.352 25627
8438 1 17 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.169 -0.547 25627
8439 1 17 . 1 1 19 19 GLU H H 19 9.355 9.355 8.727 0.628 25627
8440 1 17 . 1 1 20 20 GLU N N 20 117.979 117.979 119.678 -1.699 25627
8441 1 17 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.048 0.176 25627
8442 1 17 . 1 1 20 20 GLU C C 20 179.454 179.454 178.919 0.535 25627
8443 1 17 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.839 0.412 25627
8444 1 17 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.497 0.218 25627
8445 1 17 . 1 1 20 20 GLU H H 20 7.946 7.946 7.481 0.465 25627
8446 1 17 . 1 1 21 21 ILE N N 21 121.560 121.560 120.026 1.534 25627
8447 1 17 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.824 -0.047 25627
8448 1 17 . 1 1 21 21 ILE C C 21 176.700 176.700 177.811 -1.111 25627
8449 1 17 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.943 -0.965 25627
8450 1 17 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.503 -0.409 25627
8451 1 17 . 1 1 21 21 ILE H H 21 7.122 7.122 8.123 -1.001 25627
8452 1 17 . 1 1 22 22 GLU N N 22 121.372 121.372 121.002 0.370 25627
8453 1 17 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.983 0.016 25627
8454 1 17 . 1 1 22 22 GLU C C 22 178.416 178.416 178.803 -0.387 25627
8455 1 17 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.339 -1.321 25627
8456 1 17 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.224 -1.072 25627
8457 1 17 . 1 1 22 22 GLU H H 22 8.017 8.017 8.143 -0.126 25627
8458 1 17 . 1 1 23 23 ASN N N 23 114.717 114.717 118.220 -3.503 25627
8459 1 17 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.556 0.181 25627
8460 1 17 . 1 1 23 23 ASN C C 23 177.565 177.565 177.856 -0.291 25627
8461 1 17 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.340 0.024 25627
8462 1 17 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.419 0.387 25627
8463 1 17 . 1 1 23 23 ASN H H 23 7.352 7.352 7.936 -0.584 25627
8464 1 17 . 1 1 24 24 LEU N N 24 122.083 122.083 120.904 1.179 25627
8465 1 17 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.930 0.472 25627
8466 1 17 . 1 1 24 24 LEU C C 24 178.487 178.487 179.248 -0.761 25627
8467 1 17 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.086 1.411 25627
8468 1 17 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.850 0.385 25627
8469 1 17 . 1 1 24 24 LEU H H 24 8.232 8.232 7.745 0.487 25627
8470 1 17 . 1 1 25 25 TYR N N 25 118.898 118.898 120.288 -1.390 25627
8471 1 17 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.161 -0.086 25627
8472 1 17 . 1 1 25 25 TYR C C 25 177.164 177.164 177.645 -0.481 25627
8473 1 17 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.166 0.375 25627
8474 1 17 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.320 -0.786 25627
8475 1 17 . 1 1 25 25 TYR H H 25 9.056 9.056 8.844 0.212 25627
8476 1 17 . 1 1 26 26 ARG N N 26 119.000 119.000 118.916 0.084 25627
8477 1 17 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.585 -0.227 25627
8478 1 17 . 1 1 26 26 ARG C C 26 179.709 179.709 179.030 0.679 25627
8479 1 17 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.523 0.746 25627
8480 1 17 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.737 -1.143 25627
8481 1 17 . 1 1 26 26 ARG H H 26 7.672 7.672 8.415 -0.743 25627
8482 1 17 . 1 1 27 27 PHE N N 27 119.640 119.640 120.024 -0.384 25627
8483 1 17 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.089 -0.219 25627
8484 1 17 . 1 1 27 27 PHE C C 27 178.542 178.542 177.737 0.805 25627
8485 1 17 . 1 1 27 27 PHE CA C 27 64.432 64.432 61.826 2.606 25627
8486 1 17 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.455 -0.495 25627
8487 1 17 . 1 1 27 27 PHE H H 27 8.497 8.497 9.024 -0.527 25627
8488 1 17 . 1 1 28 28 GLN N N 28 120.400 120.400 118.553 1.847 25627
8489 1 17 . 1 1 28 28 GLN HA H 28 4.725 4.725 3.977 0.748 25627
8490 1 17 . 1 1 28 28 GLN C C 28 182.258 182.258 178.290 3.968 25627
8491 1 17 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.630 0.333 25627
8492 1 17 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.823 -2.062 25627
8493 1 17 . 1 1 28 28 GLN H H 28 8.995 8.995 8.563 0.432 25627
8494 1 17 . 1 1 29 29 GLN N N 29 122.649 122.649 116.640 6.009 25627
8495 1 17 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.922 0.034 25627
8496 1 17 . 1 1 29 29 GLN C C 29 177.046 177.046 176.795 0.251 25627
8497 1 17 . 1 1 29 29 GLN CA C 29 58.229 58.229 57.657 0.572 25627
8498 1 17 . 1 1 29 29 GLN CB C 29 29.211 29.211 27.804 1.407 25627
8499 1 17 . 1 1 29 29 GLN H H 29 8.728 8.728 7.878 0.850 25627
8500 1 17 . 1 1 30 30 ALA N N 30 117.672 117.672 118.605 -0.933 25627
8501 1 17 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.965 0.164 25627
8502 1 17 . 1 1 30 30 ALA C C 30 175.371 175.371 176.559 -1.188 25627
8503 1 17 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.219 -0.007 25627
8504 1 17 . 1 1 30 30 ALA CB C 30 19.196 19.196 19.259 -0.063 25627
8505 1 17 . 1 1 30 30 ALA H H 30 7.120 7.120 7.173 -0.053 25627
8506 1 17 . 1 1 31 31 GLY N N 31 103.200 103.200 103.776 -0.576 25627
8507 1 17 . 1 1 31 31 GLY C C 31 173.625 173.625 173.489 0.136 25627
8508 1 17 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.728 0.580 25627
8509 1 17 . 1 1 31 31 GLY H H 31 7.474 7.474 7.423 0.051 25627
8510 1 17 . 1 1 32 32 TYR N N 32 121.303 121.303 118.529 2.774 25627
8511 1 17 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.929 0.008 25627
8512 1 17 . 1 1 32 32 TYR C C 32 174.419 174.419 175.614 -1.195 25627
8513 1 17 . 1 1 32 32 TYR CA C 32 56.212 56.212 54.446 1.766 25627
8514 1 17 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.239 2.175 25627
8515 1 17 . 1 1 32 32 TYR H H 32 8.403 8.403 7.577 0.826 25627
8516 1 17 . 1 1 33 33 ARG N N 33 118.245 118.245 119.752 -1.507 25627
8517 1 17 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.974 -0.023 25627
8518 1 17 . 1 1 33 33 ARG C C 33 175.618 175.618 175.209 0.409 25627
8519 1 17 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.259 3.315 25627
8520 1 17 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.983 1.002 25627
8521 1 17 . 1 1 33 33 ARG H H 33 9.571 9.571 8.651 0.920 25627
8522 1 17 . 1 1 34 34 ASP N N 34 105.630 105.630 114.903 -9.273 25627
8523 1 17 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.434 -0.611 25627
8524 1 17 . 1 1 34 34 ASP C C 34 174.754 174.754 175.365 -0.611 25627
8525 1 17 . 1 1 34 34 ASP CA C 34 52.265 52.265 53.055 -0.790 25627
8526 1 17 . 1 1 34 34 ASP CB C 34 39.819 39.819 43.485 -3.666 25627
8527 1 17 . 1 1 34 34 ASP H H 34 6.995 6.995 7.606 -0.611 25627
8528 1 17 . 1 1 35 35 GLU N N 35 118.215 118.215 120.784 -2.569 25627
8529 1 17 . 1 1 35 35 GLU HA H 35 2.903 2.903 4.273 -1.370 25627
8530 1 17 . 1 1 35 35 GLU C C 35 177.043 177.043 178.643 -1.600 25627
8531 1 17 . 1 1 35 35 GLU CA C 35 58.601 58.601 60.175 -1.574 25627
8532 1 17 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.395 0.718 25627
8533 1 17 . 1 1 35 35 GLU H H 35 7.818 7.818 8.671 -0.853 25627
8534 1 17 . 1 1 36 36 ILE N N 36 118.404 118.404 118.067 0.337 25627
8535 1 17 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.588 -0.167 25627
8536 1 17 . 1 1 36 36 ILE C C 36 179.143 179.143 177.944 1.199 25627
8537 1 17 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.334 -0.874 25627
8538 1 17 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.114 -0.612 25627
8539 1 17 . 1 1 36 36 ILE H H 36 6.833 6.833 8.057 -1.224 25627
8540 1 17 . 1 1 37 37 GLU N N 37 120.573 120.573 119.969 0.604 25627
8541 1 17 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.024 -0.018 25627
8542 1 17 . 1 1 37 37 GLU C C 37 178.417 178.417 178.870 -0.453 25627
8543 1 17 . 1 1 37 37 GLU CA C 37 59.424 59.424 59.172 0.251 25627
8544 1 17 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.316 0.582 25627
8545 1 17 . 1 1 37 37 GLU H H 37 8.463 8.463 7.932 0.531 25627
8546 1 17 . 1 1 38 38 TYR N N 38 117.942 117.942 121.605 -3.663 25627
8547 1 17 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.436 0.047 25627
8548 1 17 . 1 1 38 38 TYR C C 38 176.772 176.772 177.610 -0.838 25627
8549 1 17 . 1 1 38 38 TYR CA C 38 62.767 62.767 59.502 3.265 25627
8550 1 17 . 1 1 38 38 TYR CB C 38 39.979 39.979 37.972 2.007 25627
8551 1 17 . 1 1 38 38 TYR H H 38 7.949 7.949 8.529 -0.580 25627
8552 1 17 . 1 1 39 39 LYS N N 39 115.539 115.539 117.921 -2.382 25627
8553 1 17 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.499 0.149 25627
8554 1 17 . 1 1 39 39 LYS C C 39 179.543 179.543 179.088 0.455 25627
8555 1 17 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.816 0.831 25627
8556 1 17 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.870 0.353 25627
8557 1 17 . 1 1 39 39 LYS H H 39 8.287 8.287 8.601 -0.314 25627
8558 1 17 . 1 1 40 40 GLN N N 40 118.265 118.265 119.775 -1.510 25627
8559 1 17 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.152 -0.141 25627
8560 1 17 . 1 1 40 40 GLN C C 40 178.263 178.263 177.755 0.508 25627
8561 1 17 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.611 0.142 25627
8562 1 17 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.555 0.021 25627
8563 1 17 . 1 1 40 40 GLN H H 40 7.605 7.605 7.496 0.109 25627
8564 1 17 . 1 1 41 41 VAL N N 41 118.627 118.627 119.138 -0.511 25627
8565 1 17 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.658 0.104 25627
8566 1 17 . 1 1 41 41 VAL C C 41 178.092 178.092 177.705 0.387 25627
8567 1 17 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.379 0.329 25627
8568 1 17 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.908 0.734 25627
8569 1 17 . 1 1 41 41 VAL H H 41 8.470 8.470 7.633 0.837 25627
8570 1 17 . 1 1 42 42 LYS N N 42 115.117 115.117 116.366 -1.249 25627
8571 1 17 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.436 -0.186 25627
8572 1 17 . 1 1 42 42 LYS C C 42 176.102 176.102 175.643 0.459 25627
8573 1 17 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.836 -0.935 25627
8574 1 17 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.632 -1.467 25627
8575 1 17 . 1 1 42 42 LYS H H 42 8.263 8.263 7.514 0.749 25627
8576 1 17 . 1 1 43 43 GLN N N 43 116.108 116.108 116.253 -0.145 25627
8577 1 17 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.966 0.002 25627
8578 1 17 . 1 1 43 43 GLN C C 43 175.125 175.125 175.270 -0.145 25627
8579 1 17 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.827 -0.272 25627
8580 1 17 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.534 0.378 25627
8581 1 17 . 1 1 43 43 GLN H H 43 7.717 7.717 7.959 -0.242 25627
8582 1 17 . 1 1 44 44 VAL N N 44 110.285 110.285 112.518 -2.233 25627
8583 1 17 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.409 0.149 25627
8584 1 17 . 1 1 44 44 VAL C C 44 175.431 175.431 174.096 1.335 25627
8585 1 17 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.727 -0.486 25627
8586 1 17 . 1 1 44 44 VAL CB C 44 34.732 34.732 33.926 0.806 25627
8587 1 17 . 1 1 44 44 VAL H H 44 6.817 6.817 7.446 -0.629 25627
8588 1 17 . 1 1 45 45 ALA N N 45 123.422 123.422 120.335 3.087 25627
8589 1 17 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.600 -0.245 25627
8590 1 17 . 1 1 45 45 ALA C C 45 177.543 177.543 177.084 0.459 25627
8591 1 17 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.767 0.054 25627
8592 1 17 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.649 0.163 25627
8593 1 17 . 1 1 45 45 ALA H H 45 8.571 8.571 8.107 0.464 25627
8594 1 17 . 1 1 46 46 MET N N 46 114.808 114.808 118.867 -4.059 25627
8595 1 17 . 1 1 46 46 MET HA H 46 4.724 4.724 4.672 0.052 25627
8596 1 17 . 1 1 46 46 MET C C 46 173.698 173.698 174.950 -1.252 25627
8597 1 17 . 1 1 46 46 MET CA C 46 54.230 54.230 55.068 -0.838 25627
8598 1 17 . 1 1 46 46 MET CB C 46 34.793 34.793 33.661 1.132 25627
8599 1 17 . 1 1 46 46 MET H H 46 7.657 7.657 7.558 0.099 25627
8600 1 17 . 1 1 47 47 VAL N N 47 120.757 120.757 122.222 -1.465 25627
8601 1 17 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.274 0.005 25627
8602 1 17 . 1 1 47 47 VAL C C 47 174.985 174.985 175.279 -0.294 25627
8603 1 17 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.446 -0.409 25627
8604 1 17 . 1 1 47 47 VAL CB C 47 33.826 33.826 34.292 -0.466 25627
8605 1 17 . 1 1 47 47 VAL H H 47 8.459 8.459 8.225 0.234 25627
8606 1 17 . 1 1 48 48 ASP N N 48 126.251 126.251 127.782 -1.531 25627
8607 1 17 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.643 -0.170 25627
8608 1 17 . 1 1 48 48 ASP C C 48 175.819 175.819 175.114 0.705 25627
8609 1 17 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.510 0.962 25627
8610 1 17 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.234 0.900 25627
8611 1 17 . 1 1 48 48 ASP H H 48 8.929 8.929 8.706 0.223 25627
8612 1 17 . 1 1 49 49 ARG N N 49 122.995 122.995 121.105 1.890 25627
8613 1 17 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.207 -0.448 25627
8614 1 17 . 1 1 49 49 ARG C C 49 176.363 176.363 175.171 1.192 25627
8615 1 17 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.403 0.211 25627
8616 1 17 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.645 -0.175 25627
8617 1 17 . 1 1 49 49 ARG H H 49 8.534 8.534 8.239 0.295 25627
8618 1 17 . 1 1 50 50 TRP N N 50 125.191 125.191 122.163 3.028 25627
8619 1 17 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.126 -0.462 25627
8620 1 17 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.649 -0.054 25627
8621 1 17 . 1 1 50 50 TRP CB C 50 29.113 29.113 28.998 0.115 25627
8622 1 17 . 1 1 50 50 TRP H H 50 9.111 9.111 8.525 0.586 25627
8623 1 17 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.280 0.065 25627
8624 1 17 . 1 1 51 51 PRO C C 51 178.698 178.698 177.270 1.428 25627
8625 1 17 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.349 -0.775 25627
8626 1 17 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.047 0.116 25627
8627 1 17 . 1 1 52 52 GLU N N 52 116.570 116.570 118.994 -2.424 25627
8628 1 17 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.185 -0.215 25627
8629 1 17 . 1 1 52 52 GLU C C 52 178.031 178.031 177.873 0.158 25627
8630 1 17 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.656 2.102 25627
8631 1 17 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.616 -0.002 25627
8632 1 17 . 1 1 52 52 GLU H H 52 9.951 9.951 8.890 1.061 25627
8633 1 17 . 1 1 53 53 THR N N 53 103.788 103.788 107.295 -3.507 25627
8634 1 17 . 1 1 53 53 THR HA H 53 4.135 4.135 4.388 -0.253 25627
8635 1 17 . 1 1 53 53 THR C C 53 175.731 175.731 175.349 0.382 25627
8636 1 17 . 1 1 53 53 THR CA C 53 60.427 60.427 62.228 -1.801 25627
8637 1 17 . 1 1 53 53 THR CB C 53 70.762 70.762 70.745 0.017 25627
8638 1 17 . 1 1 53 53 THR H H 53 7.120 7.120 7.678 -0.558 25627
8639 1 17 . 1 1 54 54 GLY N N 54 109.195 109.195 110.001 -0.806 25627
8640 1 17 . 1 1 54 54 GLY C C 54 174.593 174.593 173.549 1.044 25627
8641 1 17 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.128 0.620 25627
8642 1 17 . 1 1 54 54 GLY H H 54 8.227 8.227 8.394 -0.167 25627
8643 1 17 . 1 1 55 55 TYR N N 55 119.038 119.038 119.099 -0.061 25627
8644 1 17 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.616 1.089 25627
8645 1 17 . 1 1 55 55 TYR C C 55 177.556 177.556 176.086 1.470 25627
8646 1 17 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.188 -3.458 25627
8647 1 17 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.240 -0.499 25627
8648 1 17 . 1 1 55 55 TYR H H 55 7.353 7.353 7.434 -0.081 25627
8649 1 17 . 1 1 56 56 VAL N N 56 120.089 120.089 121.023 -0.934 25627
8650 1 17 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.087 -0.474 25627
8651 1 17 . 1 1 56 56 VAL C C 56 174.564 174.564 176.997 -2.433 25627
8652 1 17 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.923 -0.156 25627
8653 1 17 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.377 1.390 25627
8654 1 17 . 1 1 56 56 VAL H H 56 8.252 8.252 9.206 -0.954 25627
8655 1 17 . 1 1 57 57 LYS N N 57 127.233 127.233 128.807 -1.574 25627
8656 1 17 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.774 -0.326 25627
8657 1 17 . 1 1 57 57 LYS C C 57 175.256 175.256 176.543 -1.287 25627
8658 1 17 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.296 -1.313 25627
8659 1 17 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.724 1.526 25627
8660 1 17 . 1 1 57 57 LYS H H 57 9.005 9.005 8.806 0.199 25627
8661 1 17 . 1 1 58 58 LYS N N 58 115.918 115.918 115.748 0.170 25627
8662 1 17 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.048 0.322 25627
8663 1 17 . 1 1 58 58 LYS C C 58 174.030 174.030 175.268 -1.238 25627
8664 1 17 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.207 -0.353 25627
8665 1 17 . 1 1 58 58 LYS CB C 58 35.823 35.823 35.853 -0.030 25627
8666 1 17 . 1 1 58 58 LYS H H 58 6.921 6.921 7.666 -0.745 25627
8667 1 17 . 1 1 59 59 LEU N N 59 121.666 121.666 121.971 -0.305 25627
8668 1 17 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.628 0.021 25627
8669 1 17 . 1 1 59 59 LEU C C 59 174.451 174.451 175.172 -0.721 25627
8670 1 17 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.278 -0.805 25627
8671 1 17 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.724 0.215 25627
8672 1 17 . 1 1 59 59 LEU H H 59 8.793 8.793 9.008 -0.215 25627
8673 1 17 . 1 1 60 60 GLN N N 60 121.710 121.710 124.417 -2.707 25627
8674 1 17 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.458 -0.022 25627
8675 1 17 . 1 1 60 60 GLN C C 60 176.636 176.636 175.557 1.079 25627
8676 1 17 . 1 1 60 60 GLN CA C 60 54.917 54.917 56.042 -1.125 25627
8677 1 17 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.510 0.826 25627
8678 1 17 . 1 1 60 60 GLN H H 60 8.879 8.879 8.574 0.305 25627
8679 1 17 . 1 1 61 61 ARG N N 61 126.172 126.172 124.500 1.672 25627
8680 1 17 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.309 0.234 25627
8681 1 17 . 1 1 61 61 ARG C C 61 178.315 178.315 177.796 0.519 25627
8682 1 17 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.210 2.363 25627
8683 1 17 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.788 1.113 25627
8684 1 17 . 1 1 61 61 ARG H H 61 9.387 9.387 8.708 0.679 25627
8685 1 17 . 1 1 62 62 ARG N N 62 123.754 123.754 119.680 4.074 25627
8686 1 17 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.200 -0.332 25627
8687 1 17 . 1 1 62 62 ARG C C 62 176.508 176.508 176.467 0.041 25627
8688 1 17 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.273 1.590 25627
8689 1 17 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.984 -0.520 25627
8690 1 17 . 1 1 62 62 ARG H H 62 9.385 9.385 8.201 1.184 25627
8691 1 17 . 1 1 63 63 ASP N N 63 116.155 116.155 117.523 -1.368 25627
8692 1 17 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.742 -0.311 25627
8693 1 17 . 1 1 63 63 ASP C C 63 176.163 176.163 175.369 0.794 25627
8694 1 17 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.748 -0.562 25627
8695 1 17 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.364 -0.608 25627
8696 1 17 . 1 1 63 63 ASP H H 63 7.505 7.505 8.220 -0.715 25627
8697 1 17 . 1 1 64 64 ASN N N 64 110.183 110.183 115.737 -5.554 25627
8698 1 17 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.259 -0.172 25627
8699 1 17 . 1 1 64 64 ASN C C 64 175.432 175.432 173.757 1.675 25627
8700 1 17 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.555 0.875 25627
8701 1 17 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.316 -0.282 25627
8702 1 17 . 1 1 64 64 ASN H H 64 7.791 7.791 8.017 -0.226 25627
8703 1 17 . 1 1 65 65 THR N N 65 112.736 112.736 109.403 3.333 25627
8704 1 17 . 1 1 65 65 THR HA H 65 4.414 4.414 4.488 -0.074 25627
8705 1 17 . 1 1 65 65 THR C C 65 173.653 173.653 173.838 -0.185 25627
8706 1 17 . 1 1 65 65 THR CA C 65 62.342 62.342 59.944 2.398 25627
8707 1 17 . 1 1 65 65 THR CB C 65 70.946 70.946 71.508 -0.562 25627
8708 1 17 . 1 1 65 65 THR H H 65 7.921 7.921 7.048 0.873 25627
8709 1 17 . 1 1 66 66 PHE N N 66 118.850 118.850 125.004 -6.154 25627
8710 1 17 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.501 0.643 25627
8711 1 17 . 1 1 66 66 PHE C C 66 174.762 174.762 174.911 -0.149 25627
8712 1 17 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.718 -0.239 25627
8713 1 17 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.276 2.987 25627
8714 1 17 . 1 1 66 66 PHE H H 66 8.926 8.926 8.809 0.117 25627
8715 1 17 . 1 1 67 67 PHE N N 67 124.259 124.259 127.300 -3.041 25627
8716 1 17 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.727 -0.063 25627
8717 1 17 . 1 1 67 67 PHE C C 67 173.553 173.553 173.296 0.257 25627
8718 1 17 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.276 -0.372 25627
8719 1 17 . 1 1 67 67 PHE CB C 67 42.337 42.337 41.969 0.368 25627
8720 1 17 . 1 1 67 67 PHE H H 67 9.142 9.142 8.487 0.655 25627
8721 1 17 . 1 1 68 68 TYR N N 68 122.881 122.881 126.954 -4.073 25627
8722 1 17 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.573 0.298 25627
8723 1 17 . 1 1 68 68 TYR C C 68 174.835 174.835 175.318 -0.483 25627
8724 1 17 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.506 -1.113 25627
8725 1 17 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.822 1.367 25627
8726 1 17 . 1 1 68 68 TYR H H 68 8.064 8.064 8.202 -0.138 25627
8727 1 17 . 1 1 69 69 TYR N N 69 118.675 118.675 124.129 -5.454 25627
8728 1 17 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.758 0.267 25627
8729 1 17 . 1 1 69 69 TYR C C 69 177.181 177.181 175.420 1.761 25627
8730 1 17 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.385 -0.472 25627
8731 1 17 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.182 2.241 25627
8732 1 17 . 1 1 69 69 TYR H H 69 8.384 8.384 8.692 -0.308 25627
8733 1 17 . 1 1 70 70 ASN N N 70 122.917 122.917 119.801 3.116 25627
8734 1 17 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.900 -0.105 25627
8735 1 17 . 1 1 70 70 ASN C C 70 175.433 175.433 175.948 -0.515 25627
8736 1 17 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.311 1.048 25627
8737 1 17 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.530 -0.153 25627
8738 1 17 . 1 1 70 70 ASN H H 70 9.832 9.832 8.724 1.108 25627
8739 1 17 . 1 1 71 71 LYS N N 71 123.116 123.116 124.669 -1.553 25627
8740 1 17 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.342 -2.103 25627
8741 1 17 . 1 1 71 71 LYS C C 71 175.495 175.495 177.968 -2.473 25627
8742 1 17 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.649 -0.228 25627
8743 1 17 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.195 -0.118 25627
8744 1 17 . 1 1 71 71 LYS H H 71 8.047 8.047 8.731 -0.684 25627
8745 1 17 . 1 1 72 72 GLU N N 72 113.242 113.242 121.682 -8.440 25627
8746 1 17 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.322 0.056 25627
8747 1 17 . 1 1 72 72 GLU C C 72 175.018 175.018 175.971 -0.953 25627
8748 1 17 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.750 -0.943 25627
8749 1 17 . 1 1 72 72 GLU CB C 72 30.432 30.432 28.397 2.035 25627
8750 1 17 . 1 1 72 72 GLU H H 72 7.335 7.335 7.971 -0.636 25627
8751 1 17 . 1 1 73 73 ARG N N 73 118.120 118.120 120.630 -2.510 25627
8752 1 17 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.966 -0.612 25627
8753 1 17 . 1 1 73 73 ARG C C 73 175.859 175.859 176.346 -0.487 25627
8754 1 17 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.411 0.263 25627
8755 1 17 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.169 0.966 25627
8756 1 17 . 1 1 73 73 ARG H H 73 8.174 8.174 8.391 -0.217 25627
8757 1 17 . 1 1 74 74 GLU N N 74 127.360 127.360 124.537 2.823 25627
8758 1 17 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.300 0.193 25627
8759 1 17 . 1 1 74 74 GLU C C 74 176.415 176.415 175.610 0.805 25627
8760 1 17 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.533 1.528 25627
8761 1 17 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.321 4.141 25627
8762 1 17 . 1 1 74 74 GLU H H 74 10.788 10.788 8.580 2.208 25627
8763 1 17 . 1 1 75 75 CYS N N 75 123.441 123.441 118.801 4.640 25627
8764 1 17 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.490 -1.014 25627
8765 1 17 . 1 1 75 75 CYS C C 75 174.198 174.198 173.841 0.357 25627
8766 1 17 . 1 1 75 75 CYS CA C 75 59.022 59.022 58.042 0.980 25627
8767 1 17 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.672 -2.450 25627
8768 1 17 . 1 1 75 75 CYS H H 75 9.198 9.198 7.454 1.744 25627
8769 1 17 . 1 1 76 76 GLU N N 76 131.177 131.177 124.849 6.328 25627
8770 1 17 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.245 -0.250 25627
8771 1 17 . 1 1 76 76 GLU C C 76 177.122 177.122 175.647 1.475 25627
8772 1 17 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.941 1.875 25627
8773 1 17 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.245 -1.577 25627
8774 1 17 . 1 1 76 76 GLU H H 76 8.452 8.452 7.944 0.508 25627
8775 1 17 . 1 1 77 77 ASP N N 77 123.154 123.154 121.221 1.933 25627
8776 1 17 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.428 -0.092 25627
8777 1 17 . 1 1 77 77 ASP C C 77 179.545 179.545 177.581 1.964 25627
8778 1 17 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.058 1.552 25627
8779 1 17 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.803 -0.854 25627
8780 1 17 . 1 1 77 77 ASP H H 77 9.067 9.067 8.809 0.258 25627
8781 1 17 . 1 1 78 78 LYS N N 78 116.055 116.055 117.368 -1.313 25627
8782 1 17 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.074 0.224 25627
8783 1 17 . 1 1 78 78 LYS C C 78 176.146 176.146 178.828 -2.682 25627
8784 1 17 . 1 1 78 78 LYS CA C 78 58.484 58.484 58.978 -0.494 25627
8785 1 17 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.183 -0.343 25627
8786 1 17 . 1 1 78 78 LYS H H 78 8.664 8.664 8.435 0.229 25627
8787 1 17 . 1 1 79 79 GLU N N 79 117.481 117.481 119.414 -1.933 25627
8788 1 17 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.192 0.255 25627
8789 1 17 . 1 1 79 79 GLU C C 79 177.666 177.666 178.941 -1.275 25627
8790 1 17 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.406 -2.801 25627
8791 1 17 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.563 1.425 25627
8792 1 17 . 1 1 79 79 GLU H H 79 7.735 7.735 8.339 -0.604 25627
8793 1 17 . 1 1 80 80 VAL N N 80 121.192 121.192 120.152 1.040 25627
8794 1 17 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.678 -0.435 25627
8795 1 17 . 1 1 80 80 VAL C C 80 176.731 176.731 178.075 -1.344 25627
8796 1 17 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.218 0.657 25627
8797 1 17 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.149 1.024 25627
8798 1 17 . 1 1 80 80 VAL H H 80 7.274 7.274 7.754 -0.480 25627
8799 1 17 . 1 1 81 81 HIS N N 81 112.861 112.861 116.250 -3.389 25627
8800 1 17 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.366 0.282 25627
8801 1 17 . 1 1 81 81 HIS C C 81 175.330 175.330 178.100 -2.770 25627
8802 1 17 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.547 -1.800 25627
8803 1 17 . 1 1 81 81 HIS CB C 81 29.180 29.180 29.660 -0.480 25627
8804 1 17 . 1 1 81 81 HIS H H 81 8.157 8.157 7.743 0.414 25627
8805 1 17 . 1 1 82 82 LYS N N 82 117.850 117.850 119.385 -1.535 25627
8806 1 17 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.165 -0.154 25627
8807 1 17 . 1 1 82 82 LYS C C 82 177.430 177.430 177.965 -0.535 25627
8808 1 17 . 1 1 82 82 LYS CA C 82 56.591 56.591 58.441 -1.850 25627
8809 1 17 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.756 0.327 25627
8810 1 17 . 1 1 82 82 LYS H H 82 7.264 7.264 7.604 -0.340 25627
8811 1 17 . 1 1 83 83 VAL N N 83 123.619 123.619 120.135 3.484 25627
8812 1 17 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.095 -0.215 25627
8813 1 17 . 1 1 83 83 VAL C C 83 175.239 175.239 174.993 0.246 25627
8814 1 17 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.792 1.020 25627
8815 1 17 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.477 -0.929 25627
8816 1 17 . 1 1 83 83 VAL H H 83 8.126 8.126 8.135 -0.009 25627
8817 1 17 . 1 1 84 84 LYS N N 84 128.994 128.994 127.213 1.781 25627
8818 1 17 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.649 -0.196 25627
8819 1 17 . 1 1 84 84 LYS C C 84 174.399 174.399 175.530 -1.131 25627
8820 1 17 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.868 0.949 25627
8821 1 17 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.981 -0.875 25627
8822 1 17 . 1 1 84 84 LYS H H 84 9.031 9.031 8.286 0.745 25627
8823 1 17 . 1 1 85 85 VAL N N 85 120.723 120.723 121.060 -0.337 25627
8824 1 17 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.549 -0.519 25627
8825 1 17 . 1 1 85 85 VAL C C 85 175.482 175.482 174.532 0.950 25627
8826 1 17 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.367 0.275 25627
8827 1 17 . 1 1 85 85 VAL CB C 85 32.488 32.488 34.963 -2.475 25627
8828 1 17 . 1 1 85 85 VAL H H 85 8.299 8.299 9.042 -0.743 25627
8829 1 17 . 1 1 86 86 TYR N N 86 126.214 126.214 127.969 -1.755 25627
8830 1 17 . 1 1 86 86 TYR HA H 86 4.726 4.726 5.093 -0.367 25627
8831 1 17 . 1 1 86 86 TYR C C 86 175.214 175.214 174.915 0.299 25627
8832 1 17 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.306 3.234 25627
8833 1 17 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.490 1.562 25627
8834 1 17 . 1 1 86 86 TYR H H 86 8.077 8.077 8.858 -0.781 25627
8835 1 17 . 1 1 87 87 VAL N N 87 123.680 123.680 119.821 3.859 25627
8836 1 17 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.257 -0.061 25627
8837 1 17 . 1 1 87 87 VAL C C 87 174.322 174.322 174.625 -0.303 25627
8838 1 17 . 1 1 87 87 VAL CA C 87 61.901 61.901 60.171 1.730 25627
8839 1 17 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.819 -0.040 25627
8840 1 17 . 1 1 87 87 VAL H H 87 8.133 8.133 8.732 -0.599 25627
8841 1 18 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.316 -0.186 25627
8842 1 18 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 57.024 -2.175 25627
8843 1 18 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 28.846 2.827 25627
8844 1 18 . 1 1 0 0 MET N N 0 120.413 120.413 115.452 4.961 25627
8845 1 18 . 1 1 0 0 MET HA H 0 4.350 4.350 4.578 -0.228 25627
8846 1 18 . 1 1 0 0 MET C C 0 175.829 175.829 176.299 -0.470 25627
8847 1 18 . 1 1 0 0 MET CA C 0 55.134 55.134 54.696 0.438 25627
8848 1 18 . 1 1 0 0 MET CB C 0 32.391 32.391 33.794 -1.403 25627
8849 1 18 . 1 1 0 0 MET H H 0 8.332 8.332 7.565 0.767 25627
8850 1 18 . 1 1 1 1 MET N N 1 121.120 121.120 120.448 0.672 25627
8851 1 18 . 1 1 1 1 MET HA H 1 4.443 4.443 4.619 -0.176 25627
8852 1 18 . 1 1 1 1 MET C C 1 175.772 175.772 175.027 0.745 25627
8853 1 18 . 1 1 1 1 MET CA C 1 55.446 55.446 54.255 1.190 25627
8854 1 18 . 1 1 1 1 MET CB C 1 32.774 32.774 33.306 -0.532 25627
8855 1 18 . 1 1 1 1 MET H H 1 8.287 8.287 8.354 -0.067 25627
8856 1 18 . 1 1 2 2 ALA N N 2 125.673 125.673 127.212 -1.539 25627
8857 1 18 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.376 -0.009 25627
8858 1 18 . 1 1 2 2 ALA C C 2 177.821 177.821 177.897 -0.076 25627
8859 1 18 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.754 -0.186 25627
8860 1 18 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.366 -0.129 25627
8861 1 18 . 1 1 2 2 ALA H H 2 8.373 8.373 8.757 -0.384 25627
8862 1 18 . 1 1 3 3 THR N N 3 113.038 113.038 113.831 -0.793 25627
8863 1 18 . 1 1 3 3 THR HA H 3 4.354 4.354 4.010 0.344 25627
8864 1 18 . 1 1 3 3 THR C C 3 174.577 174.577 173.767 0.810 25627
8865 1 18 . 1 1 3 3 THR CA C 3 61.679 61.679 64.047 -2.368 25627
8866 1 18 . 1 1 3 3 THR CB C 3 69.864 69.864 67.561 2.303 25627
8867 1 18 . 1 1 3 3 THR H H 3 8.099 8.099 8.761 -0.662 25627
8868 1 18 . 1 1 4 4 SER N N 4 117.235 117.235 115.185 2.050 25627
8869 1 18 . 1 1 4 4 SER HA H 4 4.440 4.440 4.549 -0.109 25627
8870 1 18 . 1 1 4 4 SER C C 4 173.887 173.887 172.831 1.056 25627
8871 1 18 . 1 1 4 4 SER CA C 4 58.314 58.314 58.899 -0.585 25627
8872 1 18 . 1 1 4 4 SER CB C 4 63.951 63.951 65.116 -1.165 25627
8873 1 18 . 1 1 4 4 SER H H 4 8.238 8.238 7.698 0.540 25627
8874 1 18 . 1 1 5 5 ASP N N 5 122.543 122.543 122.129 0.414 25627
8875 1 18 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.250 0.333 25627
8876 1 18 . 1 1 5 5 ASP C C 5 175.690 175.690 175.000 0.690 25627
8877 1 18 . 1 1 5 5 ASP CA C 5 54.146 54.146 55.373 -1.227 25627
8878 1 18 . 1 1 5 5 ASP CB C 5 41.166 41.166 39.519 1.647 25627
8879 1 18 . 1 1 5 5 ASP H H 5 8.321 8.321 8.124 0.197 25627
8880 1 18 . 1 1 6 6 VAL N N 6 121.235 121.235 120.424 0.811 25627
8881 1 18 . 1 1 6 6 VAL HA H 6 4.098 4.098 3.843 0.255 25627
8882 1 18 . 1 1 6 6 VAL C C 6 175.211 175.211 175.332 -0.121 25627
8883 1 18 . 1 1 6 6 VAL CA C 6 62.322 62.322 63.411 -1.089 25627
8884 1 18 . 1 1 6 6 VAL CB C 6 32.581 32.581 31.820 0.761 25627
8885 1 18 . 1 1 6 6 VAL H H 6 7.942 7.942 8.055 -0.113 25627
8886 1 18 . 1 1 7 7 LYS N N 7 125.356 125.356 128.634 -3.278 25627
8887 1 18 . 1 1 7 7 LYS CA C 7 53.311 53.311 52.949 0.362 25627
8888 1 18 . 1 1 7 7 LYS CB C 7 33.494 33.494 33.005 0.489 25627
8889 1 18 . 1 1 7 7 LYS H H 7 8.383 8.383 8.316 0.067 25627
8890 1 18 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.677 -0.718 25627
8891 1 18 . 1 1 8 8 PRO C C 8 176.346 176.346 176.250 0.096 25627
8892 1 18 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.095 -0.102 25627
8893 1 18 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.550 -0.547 25627
8894 1 18 . 1 1 9 9 LYS N N 9 122.609 122.609 119.913 2.696 25627
8895 1 18 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.551 -0.264 25627
8896 1 18 . 1 1 9 9 LYS C C 9 177.164 177.164 176.792 0.372 25627
8897 1 18 . 1 1 9 9 LYS CA C 9 57.222 57.222 56.372 0.850 25627
8898 1 18 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.754 0.208 25627
8899 1 18 . 1 1 9 9 LYS H H 9 9.393 9.393 8.513 0.880 25627
8900 1 18 . 1 1 10 10 SER N N 10 111.655 111.655 114.078 -2.423 25627
8901 1 18 . 1 1 10 10 SER HA H 10 4.563 4.563 4.735 -0.172 25627
8902 1 18 . 1 1 10 10 SER C C 10 171.697 171.697 172.199 -0.502 25627
8903 1 18 . 1 1 10 10 SER CA C 10 57.614 57.614 58.304 -0.690 25627
8904 1 18 . 1 1 10 10 SER CB C 10 64.687 64.687 66.368 -1.681 25627
8905 1 18 . 1 1 10 10 SER H H 10 7.846 7.846 7.833 0.013 25627
8906 1 18 . 1 1 11 11 ILE N N 11 121.054 121.054 121.377 -0.323 25627
8907 1 18 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.687 -0.156 25627
8908 1 18 . 1 1 11 11 ILE C C 11 175.460 175.460 175.248 0.212 25627
8909 1 18 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.935 -0.141 25627
8910 1 18 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.246 -0.141 25627
8911 1 18 . 1 1 11 11 ILE H H 11 8.128 8.128 8.524 -0.396 25627
8912 1 18 . 1 1 12 12 SER N N 12 122.340 122.340 121.928 0.412 25627
8913 1 18 . 1 1 12 12 SER HA H 12 4.757 4.757 4.967 -0.210 25627
8914 1 18 . 1 1 12 12 SER C C 12 172.771 172.771 172.963 -0.192 25627
8915 1 18 . 1 1 12 12 SER CA C 12 56.498 56.498 56.635 -0.137 25627
8916 1 18 . 1 1 12 12 SER CB C 12 65.418 65.418 65.828 -0.410 25627
8917 1 18 . 1 1 12 12 SER H H 12 8.782 8.782 9.165 -0.383 25627
8918 1 18 . 1 1 13 13 ARG N N 13 119.603 119.603 120.449 -0.846 25627
8919 1 18 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.470 0.406 25627
8920 1 18 . 1 1 13 13 ARG C C 13 176.720 176.720 176.025 0.695 25627
8921 1 18 . 1 1 13 13 ARG CA C 13 54.308 54.308 53.904 0.404 25627
8922 1 18 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.861 -0.107 25627
8923 1 18 . 1 1 13 13 ARG H H 13 8.374 8.374 8.531 -0.157 25627
8924 1 18 . 1 1 14 14 ALA N N 14 127.004 127.004 128.672 -1.668 25627
8925 1 18 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.163 -0.053 25627
8926 1 18 . 1 1 14 14 ALA C C 14 176.523 176.523 176.551 -0.028 25627
8927 1 18 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.619 -0.077 25627
8928 1 18 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.677 0.410 25627
8929 1 18 . 1 1 14 14 ALA H H 14 8.725 8.725 8.603 0.122 25627
8930 1 18 . 1 1 15 15 LYS N N 15 117.157 117.157 120.364 -3.207 25627
8931 1 18 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.277 0.095 25627
8932 1 18 . 1 1 15 15 LYS C C 15 176.383 176.383 176.979 -0.596 25627
8933 1 18 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.717 -1.091 25627
8934 1 18 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.108 1.502 25627
8935 1 18 . 1 1 15 15 LYS H H 15 8.518 8.518 8.496 0.022 25627
8936 1 18 . 1 1 16 16 LYS N N 16 116.265 116.265 118.150 -1.885 25627
8937 1 18 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.475 0.100 25627
8938 1 18 . 1 1 16 16 LYS C C 16 174.584 174.584 174.362 0.222 25627
8939 1 18 . 1 1 16 16 LYS CA C 16 54.694 54.694 55.047 -0.353 25627
8940 1 18 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.709 0.895 25627
8941 1 18 . 1 1 16 16 LYS H H 16 7.429 7.429 7.681 -0.252 25627
8942 1 18 . 1 1 17 17 TRP N N 17 123.638 123.638 124.988 -1.350 25627
8943 1 18 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.474 -0.689 25627
8944 1 18 . 1 1 17 17 TRP C C 17 174.781 174.781 174.548 0.233 25627
8945 1 18 . 1 1 17 17 TRP CA C 17 61.877 61.877 59.012 2.865 25627
8946 1 18 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.755 -0.834 25627
8947 1 18 . 1 1 17 17 TRP H H 17 9.412 9.412 8.483 0.929 25627
8948 1 18 . 1 1 18 18 SER N N 18 119.926 119.926 121.402 -1.476 25627
8949 1 18 . 1 1 18 18 SER HA H 18 3.831 3.831 3.922 -0.091 25627
8950 1 18 . 1 1 18 18 SER C C 18 172.100 172.100 174.110 -2.010 25627
8951 1 18 . 1 1 18 18 SER CA C 18 56.830 56.830 56.637 0.193 25627
8952 1 18 . 1 1 18 18 SER CB C 18 66.241 66.241 66.448 -0.207 25627
8953 1 18 . 1 1 18 18 SER H H 18 6.081 6.081 7.495 -1.414 25627
8954 1 18 . 1 1 19 19 GLU N N 19 120.673 120.673 122.010 -1.337 25627
8955 1 18 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.961 -0.314 25627
8956 1 18 . 1 1 19 19 GLU C C 19 177.682 177.682 177.963 -0.281 25627
8957 1 18 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.532 1.047 25627
8958 1 18 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.268 -0.645 25627
8959 1 18 . 1 1 19 19 GLU H H 19 9.355 9.355 8.690 0.665 25627
8960 1 18 . 1 1 20 20 GLU N N 20 117.979 117.979 118.099 -0.120 25627
8961 1 18 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.119 0.105 25627
8962 1 18 . 1 1 20 20 GLU C C 20 179.454 179.454 178.740 0.714 25627
8963 1 18 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.847 0.404 25627
8964 1 18 . 1 1 20 20 GLU CB C 20 29.715 29.715 28.945 0.770 25627
8965 1 18 . 1 1 20 20 GLU H H 20 7.946 7.946 8.669 -0.723 25627
8966 1 18 . 1 1 21 21 ILE N N 21 121.560 121.560 120.460 1.100 25627
8967 1 18 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.809 -0.032 25627
8968 1 18 . 1 1 21 21 ILE C C 21 176.700 176.700 177.809 -1.109 25627
8969 1 18 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.908 -0.930 25627
8970 1 18 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.284 -0.190 25627
8971 1 18 . 1 1 21 21 ILE H H 21 7.122 7.122 7.926 -0.804 25627
8972 1 18 . 1 1 22 22 GLU N N 22 121.372 121.372 121.180 0.192 25627
8973 1 18 . 1 1 22 22 GLU HA H 22 3.999 3.999 4.015 -0.016 25627
8974 1 18 . 1 1 22 22 GLU C C 22 178.416 178.416 178.735 -0.319 25627
8975 1 18 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.304 -1.286 25627
8976 1 18 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.143 -0.991 25627
8977 1 18 . 1 1 22 22 GLU H H 22 8.017 8.017 8.292 -0.275 25627
8978 1 18 . 1 1 23 23 ASN N N 23 114.717 114.717 118.310 -3.593 25627
8979 1 18 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.593 0.144 25627
8980 1 18 . 1 1 23 23 ASN C C 23 177.565 177.565 177.970 -0.405 25627
8981 1 18 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.406 -0.042 25627
8982 1 18 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.504 0.302 25627
8983 1 18 . 1 1 23 23 ASN H H 23 7.352 7.352 7.814 -0.462 25627
8984 1 18 . 1 1 24 24 LEU N N 24 122.083 122.083 120.941 1.142 25627
8985 1 18 . 1 1 24 24 LEU HA H 24 4.403 4.403 4.045 0.358 25627
8986 1 18 . 1 1 24 24 LEU C C 24 178.487 178.487 179.270 -0.783 25627
8987 1 18 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.181 1.316 25627
8988 1 18 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.905 0.330 25627
8989 1 18 . 1 1 24 24 LEU H H 24 8.232 8.232 7.866 0.366 25627
8990 1 18 . 1 1 25 25 TYR N N 25 118.898 118.898 120.528 -1.630 25627
8991 1 18 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.215 -0.140 25627
8992 1 18 . 1 1 25 25 TYR C C 25 177.164 177.164 177.655 -0.491 25627
8993 1 18 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.037 0.504 25627
8994 1 18 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.314 -0.780 25627
8995 1 18 . 1 1 25 25 TYR H H 25 9.056 9.056 8.924 0.132 25627
8996 1 18 . 1 1 26 26 ARG N N 26 119.000 119.000 118.866 0.134 25627
8997 1 18 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.563 -0.205 25627
8998 1 18 . 1 1 26 26 ARG C C 26 179.709 179.709 178.968 0.741 25627
8999 1 18 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.578 0.691 25627
9000 1 18 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.747 -1.153 25627
9001 1 18 . 1 1 26 26 ARG H H 26 7.672 7.672 8.498 -0.826 25627
9002 1 18 . 1 1 27 27 PHE N N 27 119.640 119.640 120.070 -0.430 25627
9003 1 18 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.125 -0.255 25627
9004 1 18 . 1 1 27 27 PHE C C 27 178.542 178.542 177.762 0.780 25627
9005 1 18 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.183 2.249 25627
9006 1 18 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.769 -0.809 25627
9007 1 18 . 1 1 27 27 PHE H H 27 8.497 8.497 8.941 -0.444 25627
9008 1 18 . 1 1 28 28 GLN N N 28 120.400 120.400 118.482 1.918 25627
9009 1 18 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.034 0.691 25627
9010 1 18 . 1 1 28 28 GLN C C 28 182.258 182.258 178.413 3.845 25627
9011 1 18 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.703 0.260 25627
9012 1 18 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.943 -2.182 25627
9013 1 18 . 1 1 28 28 GLN H H 28 8.995 8.995 8.676 0.319 25627
9014 1 18 . 1 1 29 29 GLN N N 29 122.649 122.649 117.138 5.511 25627
9015 1 18 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.922 0.034 25627
9016 1 18 . 1 1 29 29 GLN C C 29 177.046 177.046 176.183 0.863 25627
9017 1 18 . 1 1 29 29 GLN CA C 29 58.229 58.229 57.987 0.242 25627
9018 1 18 . 1 1 29 29 GLN CB C 29 29.211 29.211 27.760 1.451 25627
9019 1 18 . 1 1 29 29 GLN H H 29 8.728 8.728 8.122 0.606 25627
9020 1 18 . 1 1 30 30 ALA N N 30 117.672 117.672 117.491 0.181 25627
9021 1 18 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.994 0.135 25627
9022 1 18 . 1 1 30 30 ALA C C 30 175.371 175.371 176.519 -1.148 25627
9023 1 18 . 1 1 30 30 ALA CA C 30 52.212 52.212 51.951 0.261 25627
9024 1 18 . 1 1 30 30 ALA CB C 30 19.196 19.196 18.897 0.299 25627
9025 1 18 . 1 1 30 30 ALA H H 30 7.120 7.120 7.795 -0.675 25627
9026 1 18 . 1 1 31 31 GLY N N 31 103.200 103.200 104.497 -1.297 25627
9027 1 18 . 1 1 31 31 GLY C C 31 173.625 173.625 174.260 -0.635 25627
9028 1 18 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.838 0.470 25627
9029 1 18 . 1 1 31 31 GLY H H 31 7.474 7.474 7.399 0.075 25627
9030 1 18 . 1 1 32 32 TYR N N 32 121.303 121.303 120.124 1.179 25627
9031 1 18 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.826 0.111 25627
9032 1 18 . 1 1 32 32 TYR C C 32 174.419 174.419 175.868 -1.449 25627
9033 1 18 . 1 1 32 32 TYR CA C 32 56.212 56.212 54.788 1.424 25627
9034 1 18 . 1 1 32 32 TYR CB C 32 42.414 42.414 39.871 2.543 25627
9035 1 18 . 1 1 32 32 TYR H H 32 8.403 8.403 7.863 0.540 25627
9036 1 18 . 1 1 33 33 ARG N N 33 118.245 118.245 118.493 -0.248 25627
9037 1 18 . 1 1 33 33 ARG HA H 33 3.951 3.951 4.126 -0.175 25627
9038 1 18 . 1 1 33 33 ARG C C 33 175.618 175.618 175.536 0.082 25627
9039 1 18 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.084 3.490 25627
9040 1 18 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.811 1.174 25627
9041 1 18 . 1 1 33 33 ARG H H 33 9.571 9.571 8.701 0.870 25627
9042 1 18 . 1 1 34 34 ASP N N 34 105.630 105.630 115.497 -9.867 25627
9043 1 18 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.208 -0.385 25627
9044 1 18 . 1 1 34 34 ASP C C 34 174.754 174.754 175.432 -0.678 25627
9045 1 18 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.690 -0.425 25627
9046 1 18 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.691 -2.872 25627
9047 1 18 . 1 1 34 34 ASP H H 34 6.995 6.995 7.876 -0.881 25627
9048 1 18 . 1 1 35 35 GLU N N 35 118.215 118.215 119.907 -1.692 25627
9049 1 18 . 1 1 35 35 GLU HA H 35 2.903 2.903 4.316 -1.413 25627
9050 1 18 . 1 1 35 35 GLU C C 35 177.043 177.043 178.629 -1.586 25627
9051 1 18 . 1 1 35 35 GLU CA C 35 58.601 58.601 60.332 -1.731 25627
9052 1 18 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.649 0.464 25627
9053 1 18 . 1 1 35 35 GLU H H 35 7.818 7.818 8.424 -0.606 25627
9054 1 18 . 1 1 36 36 ILE N N 36 118.404 118.404 118.749 -0.345 25627
9055 1 18 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.606 -0.185 25627
9056 1 18 . 1 1 36 36 ILE C C 36 179.143 179.143 177.877 1.266 25627
9057 1 18 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.542 -1.082 25627
9058 1 18 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.763 -1.261 25627
9059 1 18 . 1 1 36 36 ILE H H 36 6.833 6.833 8.045 -1.212 25627
9060 1 18 . 1 1 37 37 GLU N N 37 120.573 120.573 119.765 0.808 25627
9061 1 18 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.010 -0.004 25627
9062 1 18 . 1 1 37 37 GLU C C 37 178.417 178.417 178.393 0.024 25627
9063 1 18 . 1 1 37 37 GLU CA C 37 59.424 59.424 59.002 0.422 25627
9064 1 18 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.087 0.811 25627
9065 1 18 . 1 1 37 37 GLU H H 37 8.463 8.463 8.035 0.428 25627
9066 1 18 . 1 1 38 38 TYR N N 38 117.942 117.942 121.190 -3.248 25627
9067 1 18 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.396 0.087 25627
9068 1 18 . 1 1 38 38 TYR C C 38 176.772 176.772 177.552 -0.780 25627
9069 1 18 . 1 1 38 38 TYR CA C 38 62.767 62.767 59.303 3.463 25627
9070 1 18 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.150 1.829 25627
9071 1 18 . 1 1 38 38 TYR H H 38 7.949 7.949 8.028 -0.079 25627
9072 1 18 . 1 1 39 39 LYS N N 39 115.539 115.539 117.784 -2.245 25627
9073 1 18 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.530 0.118 25627
9074 1 18 . 1 1 39 39 LYS C C 39 179.543 179.543 178.959 0.584 25627
9075 1 18 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.789 0.858 25627
9076 1 18 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.883 0.340 25627
9077 1 18 . 1 1 39 39 LYS H H 39 8.287 8.287 8.255 0.032 25627
9078 1 18 . 1 1 40 40 GLN N N 40 118.265 118.265 119.400 -1.135 25627
9079 1 18 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.009 0.002 25627
9080 1 18 . 1 1 40 40 GLN C C 40 178.263 178.263 178.036 0.227 25627
9081 1 18 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.718 0.035 25627
9082 1 18 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.576 -0.000 25627
9083 1 18 . 1 1 40 40 GLN H H 40 7.605 7.605 7.501 0.104 25627
9084 1 18 . 1 1 41 41 VAL N N 41 118.627 118.627 118.054 0.573 25627
9085 1 18 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.803 -0.041 25627
9086 1 18 . 1 1 41 41 VAL C C 41 178.092 178.092 177.410 0.682 25627
9087 1 18 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.558 0.151 25627
9088 1 18 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.833 0.809 25627
9089 1 18 . 1 1 41 41 VAL H H 41 8.470 8.470 7.847 0.623 25627
9090 1 18 . 1 1 42 42 LYS N N 42 115.117 115.117 116.431 -1.314 25627
9091 1 18 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.475 -0.225 25627
9092 1 18 . 1 1 42 42 LYS C C 42 176.102 176.102 176.277 -0.175 25627
9093 1 18 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.478 -0.577 25627
9094 1 18 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.556 -1.391 25627
9095 1 18 . 1 1 42 42 LYS H H 42 8.263 8.263 7.664 0.599 25627
9096 1 18 . 1 1 43 43 GLN N N 43 116.108 116.108 117.622 -1.514 25627
9097 1 18 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.975 -0.007 25627
9098 1 18 . 1 1 43 43 GLN C C 43 175.125 175.125 174.949 0.176 25627
9099 1 18 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.814 -0.259 25627
9100 1 18 . 1 1 43 43 GLN CB C 43 25.912 25.912 26.640 -0.728 25627
9101 1 18 . 1 1 43 43 GLN H H 43 7.717 7.717 7.802 -0.085 25627
9102 1 18 . 1 1 44 44 VAL N N 44 110.285 110.285 112.954 -2.669 25627
9103 1 18 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.422 0.136 25627
9104 1 18 . 1 1 44 44 VAL C C 44 175.431 175.431 174.222 1.209 25627
9105 1 18 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.893 -0.653 25627
9106 1 18 . 1 1 44 44 VAL CB C 44 34.732 34.732 34.253 0.479 25627
9107 1 18 . 1 1 44 44 VAL H H 44 6.817 6.817 7.886 -1.069 25627
9108 1 18 . 1 1 45 45 ALA N N 45 123.422 123.422 121.601 1.821 25627
9109 1 18 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.573 -0.218 25627
9110 1 18 . 1 1 45 45 ALA C C 45 177.543 177.543 176.226 1.317 25627
9111 1 18 . 1 1 45 45 ALA CA C 45 52.821 52.821 51.737 1.084 25627
9112 1 18 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.715 0.097 25627
9113 1 18 . 1 1 45 45 ALA H H 45 8.571 8.571 8.110 0.461 25627
9114 1 18 . 1 1 46 46 MET N N 46 114.808 114.808 119.660 -4.852 25627
9115 1 18 . 1 1 46 46 MET HA H 46 4.724 4.724 4.731 -0.007 25627
9116 1 18 . 1 1 46 46 MET C C 46 173.698 173.698 174.286 -0.588 25627
9117 1 18 . 1 1 46 46 MET CA C 46 54.230 54.230 54.817 -0.587 25627
9118 1 18 . 1 1 46 46 MET CB C 46 34.793 34.793 35.563 -0.770 25627
9119 1 18 . 1 1 46 46 MET H H 46 7.657 7.657 7.726 -0.069 25627
9120 1 18 . 1 1 47 47 VAL N N 47 120.757 120.757 123.272 -2.515 25627
9121 1 18 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.316 -0.037 25627
9122 1 18 . 1 1 47 47 VAL C C 47 174.985 174.985 175.109 -0.124 25627
9123 1 18 . 1 1 47 47 VAL CA C 47 61.036 61.036 60.680 0.356 25627
9124 1 18 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.673 0.153 25627
9125 1 18 . 1 1 47 47 VAL H H 47 8.459 8.459 8.559 -0.100 25627
9126 1 18 . 1 1 48 48 ASP N N 48 126.251 126.251 128.380 -2.129 25627
9127 1 18 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.651 -0.178 25627
9128 1 18 . 1 1 48 48 ASP C C 48 175.819 175.819 175.489 0.330 25627
9129 1 18 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.675 0.797 25627
9130 1 18 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.567 0.567 25627
9131 1 18 . 1 1 48 48 ASP H H 48 8.929 8.929 8.710 0.219 25627
9132 1 18 . 1 1 49 49 ARG N N 49 122.995 122.995 121.285 1.710 25627
9133 1 18 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.308 -0.549 25627
9134 1 18 . 1 1 49 49 ARG C C 49 176.363 176.363 175.571 0.792 25627
9135 1 18 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.518 0.096 25627
9136 1 18 . 1 1 49 49 ARG CB C 49 34.470 34.470 35.148 -0.678 25627
9137 1 18 . 1 1 49 49 ARG H H 49 8.534 8.534 8.195 0.339 25627
9138 1 18 . 1 1 50 50 TRP N N 50 125.191 125.191 121.133 4.058 25627
9139 1 18 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.107 -0.443 25627
9140 1 18 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.329 0.266 25627
9141 1 18 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.439 -0.326 25627
9142 1 18 . 1 1 50 50 TRP H H 50 9.111 9.111 8.375 0.736 25627
9143 1 18 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.248 0.097 25627
9144 1 18 . 1 1 51 51 PRO C C 51 178.698 178.698 177.732 0.966 25627
9145 1 18 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.059 -0.485 25627
9146 1 18 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.196 -0.033 25627
9147 1 18 . 1 1 52 52 GLU N N 52 116.570 116.570 119.115 -2.545 25627
9148 1 18 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.189 -0.219 25627
9149 1 18 . 1 1 52 52 GLU C C 52 178.031 178.031 177.657 0.374 25627
9150 1 18 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.899 1.859 25627
9151 1 18 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.673 -0.059 25627
9152 1 18 . 1 1 52 52 GLU H H 52 9.951 9.951 8.805 1.146 25627
9153 1 18 . 1 1 53 53 THR N N 53 103.788 103.788 107.019 -3.231 25627
9154 1 18 . 1 1 53 53 THR HA H 53 4.135 4.135 4.326 -0.191 25627
9155 1 18 . 1 1 53 53 THR C C 53 175.731 175.731 175.029 0.702 25627
9156 1 18 . 1 1 53 53 THR CA C 53 60.427 60.427 62.227 -1.800 25627
9157 1 18 . 1 1 53 53 THR CB C 53 70.762 70.762 71.702 -0.940 25627
9158 1 18 . 1 1 53 53 THR H H 53 7.120 7.120 7.727 -0.607 25627
9159 1 18 . 1 1 54 54 GLY N N 54 109.195 109.195 111.328 -2.133 25627
9160 1 18 . 1 1 54 54 GLY C C 54 174.593 174.593 173.739 0.854 25627
9161 1 18 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.088 0.660 25627
9162 1 18 . 1 1 54 54 GLY H H 54 8.227 8.227 8.060 0.167 25627
9163 1 18 . 1 1 55 55 TYR N N 55 119.038 119.038 118.273 0.765 25627
9164 1 18 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.583 1.122 25627
9165 1 18 . 1 1 55 55 TYR C C 55 177.556 177.556 176.171 1.385 25627
9166 1 18 . 1 1 55 55 TYR CA C 55 53.730 53.730 56.873 -3.143 25627
9167 1 18 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.528 -0.787 25627
9168 1 18 . 1 1 55 55 TYR H H 55 7.353 7.353 7.407 -0.054 25627
9169 1 18 . 1 1 56 56 VAL N N 56 120.089 120.089 120.884 -0.795 25627
9170 1 18 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.054 -0.441 25627
9171 1 18 . 1 1 56 56 VAL C C 56 174.564 174.564 176.723 -2.159 25627
9172 1 18 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.771 -0.004 25627
9173 1 18 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.371 1.396 25627
9174 1 18 . 1 1 56 56 VAL H H 56 8.252 8.252 9.090 -0.838 25627
9175 1 18 . 1 1 57 57 LYS N N 57 127.233 127.233 128.731 -1.498 25627
9176 1 18 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.835 -0.387 25627
9177 1 18 . 1 1 57 57 LYS C C 57 175.256 175.256 176.568 -1.312 25627
9178 1 18 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.252 -1.269 25627
9179 1 18 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.928 1.322 25627
9180 1 18 . 1 1 57 57 LYS H H 57 9.005 9.005 9.155 -0.150 25627
9181 1 18 . 1 1 58 58 LYS N N 58 115.918 115.918 116.335 -0.417 25627
9182 1 18 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.046 0.324 25627
9183 1 18 . 1 1 58 58 LYS C C 58 174.030 174.030 174.502 -0.472 25627
9184 1 18 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.308 -0.454 25627
9185 1 18 . 1 1 58 58 LYS CB C 58 35.823 35.823 35.821 0.002 25627
9186 1 18 . 1 1 58 58 LYS H H 58 6.921 6.921 7.649 -0.728 25627
9187 1 18 . 1 1 59 59 LEU N N 59 121.666 121.666 122.262 -0.596 25627
9188 1 18 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.408 0.241 25627
9189 1 18 . 1 1 59 59 LEU C C 59 174.451 174.451 175.034 -0.583 25627
9190 1 18 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.144 -0.672 25627
9191 1 18 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.194 0.745 25627
9192 1 18 . 1 1 59 59 LEU H H 59 8.793 8.793 8.713 0.080 25627
9193 1 18 . 1 1 60 60 GLN N N 60 121.710 121.710 124.035 -2.325 25627
9194 1 18 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.546 -0.110 25627
9195 1 18 . 1 1 60 60 GLN C C 60 176.636 176.636 175.874 0.762 25627
9196 1 18 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.944 -1.027 25627
9197 1 18 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.695 0.641 25627
9198 1 18 . 1 1 60 60 GLN H H 60 8.879 8.879 8.586 0.292 25627
9199 1 18 . 1 1 61 61 ARG N N 61 126.172 126.172 125.595 0.577 25627
9200 1 18 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.311 0.232 25627
9201 1 18 . 1 1 61 61 ARG C C 61 178.315 178.315 177.644 0.671 25627
9202 1 18 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.924 1.649 25627
9203 1 18 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.709 1.192 25627
9204 1 18 . 1 1 61 61 ARG H H 61 9.387 9.387 8.981 0.406 25627
9205 1 18 . 1 1 62 62 ARG N N 62 123.754 123.754 119.837 3.917 25627
9206 1 18 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.147 -0.279 25627
9207 1 18 . 1 1 62 62 ARG C C 62 176.508 176.508 176.439 0.069 25627
9208 1 18 . 1 1 62 62 ARG CA C 62 59.863 59.863 57.449 2.414 25627
9209 1 18 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.484 -0.020 25627
9210 1 18 . 1 1 62 62 ARG H H 62 9.385 9.385 8.191 1.194 25627
9211 1 18 . 1 1 63 63 ASP N N 63 116.155 116.155 117.580 -1.425 25627
9212 1 18 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.651 -0.220 25627
9213 1 18 . 1 1 63 63 ASP C C 63 176.163 176.163 175.368 0.795 25627
9214 1 18 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.513 -0.327 25627
9215 1 18 . 1 1 63 63 ASP CB C 63 39.756 39.756 39.986 -0.230 25627
9216 1 18 . 1 1 63 63 ASP H H 63 7.505 7.505 7.919 -0.414 25627
9217 1 18 . 1 1 64 64 ASN N N 64 110.183 110.183 114.660 -4.477 25627
9218 1 18 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.199 -0.112 25627
9219 1 18 . 1 1 64 64 ASN C C 64 175.432 175.432 173.445 1.987 25627
9220 1 18 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.615 0.815 25627
9221 1 18 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.138 -0.103 25627
9222 1 18 . 1 1 64 64 ASN H H 64 7.791 7.791 8.137 -0.346 25627
9223 1 18 . 1 1 65 65 THR N N 65 112.736 112.736 109.388 3.348 25627
9224 1 18 . 1 1 65 65 THR HA H 65 4.414 4.414 4.426 -0.012 25627
9225 1 18 . 1 1 65 65 THR C C 65 173.653 173.653 173.728 -0.075 25627
9226 1 18 . 1 1 65 65 THR CA C 65 62.342 62.342 59.957 2.385 25627
9227 1 18 . 1 1 65 65 THR CB C 65 70.946 70.946 71.492 -0.546 25627
9228 1 18 . 1 1 65 65 THR H H 65 7.921 7.921 7.024 0.897 25627
9229 1 18 . 1 1 66 66 PHE N N 66 118.850 118.850 124.668 -5.818 25627
9230 1 18 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.559 0.585 25627
9231 1 18 . 1 1 66 66 PHE C C 66 174.762 174.762 174.916 -0.154 25627
9232 1 18 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.337 0.142 25627
9233 1 18 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.267 2.996 25627
9234 1 18 . 1 1 66 66 PHE H H 66 8.926 8.926 8.692 0.234 25627
9235 1 18 . 1 1 67 67 PHE N N 67 124.259 124.259 127.078 -2.819 25627
9236 1 18 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.711 -0.047 25627
9237 1 18 . 1 1 67 67 PHE C C 67 173.553 173.553 173.288 0.265 25627
9238 1 18 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.292 -0.388 25627
9239 1 18 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.145 0.192 25627
9240 1 18 . 1 1 67 67 PHE H H 67 9.142 9.142 8.503 0.639 25627
9241 1 18 . 1 1 68 68 TYR N N 68 122.881 122.881 127.109 -4.228 25627
9242 1 18 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.727 0.144 25627
9243 1 18 . 1 1 68 68 TYR C C 68 174.835 174.835 175.349 -0.514 25627
9244 1 18 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.298 -0.905 25627
9245 1 18 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.557 1.632 25627
9246 1 18 . 1 1 68 68 TYR H H 68 8.064 8.064 8.105 -0.041 25627
9247 1 18 . 1 1 69 69 TYR N N 69 118.675 118.675 124.240 -5.565 25627
9248 1 18 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.725 0.300 25627
9249 1 18 . 1 1 69 69 TYR C C 69 177.181 177.181 175.650 1.531 25627
9250 1 18 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.558 -0.646 25627
9251 1 18 . 1 1 69 69 TYR CB C 69 43.423 43.423 40.874 2.549 25627
9252 1 18 . 1 1 69 69 TYR H H 69 8.384 8.384 8.703 -0.319 25627
9253 1 18 . 1 1 70 70 ASN N N 70 122.917 122.917 119.654 3.263 25627
9254 1 18 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.784 0.011 25627
9255 1 18 . 1 1 70 70 ASN C C 70 175.433 175.433 175.903 -0.470 25627
9256 1 18 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.358 1.001 25627
9257 1 18 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.162 0.215 25627
9258 1 18 . 1 1 70 70 ASN H H 70 9.832 9.832 8.710 1.122 25627
9259 1 18 . 1 1 71 71 LYS N N 71 123.116 123.116 125.534 -2.418 25627
9260 1 18 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.309 -2.070 25627
9261 1 18 . 1 1 71 71 LYS C C 71 175.495 175.495 177.405 -1.910 25627
9262 1 18 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.206 0.215 25627
9263 1 18 . 1 1 71 71 LYS CB C 71 32.077 32.077 31.885 0.192 25627
9264 1 18 . 1 1 71 71 LYS H H 71 8.047 8.047 8.643 -0.596 25627
9265 1 18 . 1 1 72 72 GLU N N 72 113.242 113.242 121.559 -8.317 25627
9266 1 18 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.330 0.048 25627
9267 1 18 . 1 1 72 72 GLU C C 72 175.018 175.018 175.757 -0.739 25627
9268 1 18 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.499 -0.693 25627
9269 1 18 . 1 1 72 72 GLU CB C 72 30.432 30.432 28.204 2.228 25627
9270 1 18 . 1 1 72 72 GLU H H 72 7.335 7.335 7.765 -0.430 25627
9271 1 18 . 1 1 73 73 ARG N N 73 118.120 118.120 120.418 -2.298 25627
9272 1 18 . 1 1 73 73 ARG HA H 73 3.354 3.354 3.958 -0.604 25627
9273 1 18 . 1 1 73 73 ARG C C 73 175.859 175.859 176.365 -0.506 25627
9274 1 18 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.550 0.124 25627
9275 1 18 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.134 1.000 25627
9276 1 18 . 1 1 73 73 ARG H H 73 8.174 8.174 8.032 0.142 25627
9277 1 18 . 1 1 74 74 GLU N N 74 127.360 127.360 123.650 3.710 25627
9278 1 18 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.318 0.175 25627
9279 1 18 . 1 1 74 74 GLU C C 74 176.415 176.415 175.055 1.360 25627
9280 1 18 . 1 1 74 74 GLU CA C 74 57.061 57.061 54.979 2.082 25627
9281 1 18 . 1 1 74 74 GLU CB C 74 33.462 33.462 29.796 3.666 25627
9282 1 18 . 1 1 74 74 GLU H H 74 10.788 10.788 8.484 2.304 25627
9283 1 18 . 1 1 75 75 CYS N N 75 123.441 123.441 118.385 5.056 25627
9284 1 18 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.449 -0.973 25627
9285 1 18 . 1 1 75 75 CYS C C 75 174.198 174.198 174.585 -0.387 25627
9286 1 18 . 1 1 75 75 CYS CA C 75 59.022 59.022 57.770 1.252 25627
9287 1 18 . 1 1 75 75 CYS CB C 75 26.222 26.222 29.302 -3.080 25627
9288 1 18 . 1 1 75 75 CYS H H 75 9.198 9.198 7.663 1.535 25627
9289 1 18 . 1 1 76 76 GLU N N 76 131.177 131.177 122.570 8.607 25627
9290 1 18 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.342 -0.347 25627
9291 1 18 . 1 1 76 76 GLU C C 76 177.122 177.122 175.779 1.343 25627
9292 1 18 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.767 2.049 25627
9293 1 18 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.560 -1.892 25627
9294 1 18 . 1 1 76 76 GLU H H 76 8.452 8.452 8.839 -0.387 25627
9295 1 18 . 1 1 77 77 ASP N N 77 123.154 123.154 121.710 1.444 25627
9296 1 18 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.400 -0.064 25627
9297 1 18 . 1 1 77 77 ASP C C 77 179.545 179.545 177.226 2.319 25627
9298 1 18 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.264 1.346 25627
9299 1 18 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.585 -0.636 25627
9300 1 18 . 1 1 77 77 ASP H H 77 9.067 9.067 8.841 0.226 25627
9301 1 18 . 1 1 78 78 LYS N N 78 116.055 116.055 117.867 -1.812 25627
9302 1 18 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.062 0.236 25627
9303 1 18 . 1 1 78 78 LYS C C 78 176.146 176.146 179.046 -2.900 25627
9304 1 18 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.336 -0.852 25627
9305 1 18 . 1 1 78 78 LYS CB C 78 31.840 31.840 31.996 -0.156 25627
9306 1 18 . 1 1 78 78 LYS H H 78 8.664 8.664 8.415 0.249 25627
9307 1 18 . 1 1 79 79 GLU N N 79 117.481 117.481 119.843 -2.362 25627
9308 1 18 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.168 0.279 25627
9309 1 18 . 1 1 79 79 GLU C C 79 177.666 177.666 179.065 -1.399 25627
9310 1 18 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.785 -3.180 25627
9311 1 18 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.309 1.679 25627
9312 1 18 . 1 1 79 79 GLU H H 79 7.735 7.735 8.452 -0.717 25627
9313 1 18 . 1 1 80 80 VAL N N 80 121.192 121.192 120.593 0.599 25627
9314 1 18 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.651 -0.408 25627
9315 1 18 . 1 1 80 80 VAL C C 80 176.731 176.731 177.307 -0.576 25627
9316 1 18 . 1 1 80 80 VAL CA C 80 66.875 66.875 67.463 -0.588 25627
9317 1 18 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.819 0.354 25627
9318 1 18 . 1 1 80 80 VAL H H 80 7.274 7.274 7.500 -0.226 25627
9319 1 18 . 1 1 81 81 HIS N N 81 112.861 112.861 117.803 -4.942 25627
9320 1 18 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.250 0.398 25627
9321 1 18 . 1 1 81 81 HIS C C 81 175.330 175.330 176.141 -0.811 25627
9322 1 18 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.361 -1.614 25627
9323 1 18 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.601 -1.421 25627
9324 1 18 . 1 1 81 81 HIS H H 81 8.157 8.157 7.853 0.304 25627
9325 1 18 . 1 1 82 82 LYS N N 82 117.850 117.850 116.180 1.670 25627
9326 1 18 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.266 -0.255 25627
9327 1 18 . 1 1 82 82 LYS C C 82 177.430 177.430 177.701 -0.271 25627
9328 1 18 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.121 -0.530 25627
9329 1 18 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.626 0.457 25627
9330 1 18 . 1 1 82 82 LYS H H 82 7.264 7.264 7.584 -0.320 25627
9331 1 18 . 1 1 83 83 VAL N N 83 123.619 123.619 122.393 1.226 25627
9332 1 18 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.065 -0.185 25627
9333 1 18 . 1 1 83 83 VAL C C 83 175.239 175.239 175.131 0.108 25627
9334 1 18 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.279 1.532 25627
9335 1 18 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.526 -0.978 25627
9336 1 18 . 1 1 83 83 VAL H H 83 8.126 8.126 7.856 0.270 25627
9337 1 18 . 1 1 84 84 LYS N N 84 128.994 128.994 125.824 3.170 25627
9338 1 18 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.674 -0.221 25627
9339 1 18 . 1 1 84 84 LYS C C 84 174.399 174.399 175.529 -1.130 25627
9340 1 18 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.466 1.351 25627
9341 1 18 . 1 1 84 84 LYS CB C 84 34.106 34.106 35.044 -0.938 25627
9342 1 18 . 1 1 84 84 LYS H H 84 9.031 9.031 8.005 1.026 25627
9343 1 18 . 1 1 85 85 VAL N N 85 120.723 120.723 121.980 -1.257 25627
9344 1 18 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.511 -0.481 25627
9345 1 18 . 1 1 85 85 VAL C C 85 175.482 175.482 174.511 0.971 25627
9346 1 18 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.172 0.470 25627
9347 1 18 . 1 1 85 85 VAL CB C 85 32.488 32.488 34.958 -2.470 25627
9348 1 18 . 1 1 85 85 VAL H H 85 8.299 8.299 8.994 -0.695 25627
9349 1 18 . 1 1 86 86 TYR N N 86 126.214 126.214 127.778 -1.564 25627
9350 1 18 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.734 -0.008 25627
9351 1 18 . 1 1 86 86 TYR C C 86 175.214 175.214 174.866 0.348 25627
9352 1 18 . 1 1 86 86 TYR CA C 86 58.540 58.540 56.355 2.184 25627
9353 1 18 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.222 1.830 25627
9354 1 18 . 1 1 86 86 TYR H H 86 8.077 8.077 8.772 -0.695 25627
9355 1 18 . 1 1 87 87 VAL N N 87 123.680 123.680 120.928 2.752 25627
9356 1 18 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.347 -0.151 25627
9357 1 18 . 1 1 87 87 VAL C C 87 174.322 174.322 174.089 0.233 25627
9358 1 18 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.772 2.129 25627
9359 1 18 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.574 0.205 25627
9360 1 18 . 1 1 87 87 VAL H H 87 8.133 8.133 8.833 -0.700 25627
9361 1 19 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.789 -0.659 25627
9362 1 19 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 55.605 -0.756 25627
9363 1 19 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 31.594 0.079 25627
9364 1 19 . 1 1 0 0 MET N N 0 120.413 120.413 122.093 -1.680 25627
9365 1 19 . 1 1 0 0 MET HA H 0 4.350 4.350 4.315 0.035 25627
9366 1 19 . 1 1 0 0 MET C C 0 175.829 175.829 176.815 -0.986 25627
9367 1 19 . 1 1 0 0 MET CA C 0 55.134 55.134 56.981 -1.847 25627
9368 1 19 . 1 1 0 0 MET CB C 0 32.391 32.391 33.252 -0.861 25627
9369 1 19 . 1 1 0 0 MET H H 0 8.332 8.332 8.563 -0.231 25627
9370 1 19 . 1 1 1 1 MET N N 1 121.120 121.120 119.362 1.758 25627
9371 1 19 . 1 1 1 1 MET HA H 1 4.443 4.443 4.521 -0.078 25627
9372 1 19 . 1 1 1 1 MET C C 1 175.772 175.772 175.413 0.359 25627
9373 1 19 . 1 1 1 1 MET CA C 1 55.446 55.446 54.714 0.732 25627
9374 1 19 . 1 1 1 1 MET CB C 1 32.774 32.774 33.184 -0.410 25627
9375 1 19 . 1 1 1 1 MET H H 1 8.287 8.287 7.701 0.586 25627
9376 1 19 . 1 1 2 2 ALA N N 2 125.673 125.673 126.498 -0.825 25627
9377 1 19 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.371 -0.004 25627
9378 1 19 . 1 1 2 2 ALA C C 2 177.821 177.821 177.785 0.036 25627
9379 1 19 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.211 0.357 25627
9380 1 19 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.491 -0.254 25627
9381 1 19 . 1 1 2 2 ALA H H 2 8.373 8.373 8.269 0.104 25627
9382 1 19 . 1 1 3 3 THR N N 3 113.038 113.038 117.039 -4.001 25627
9383 1 19 . 1 1 3 3 THR HA H 3 4.354 4.354 4.239 0.115 25627
9384 1 19 . 1 1 3 3 THR C C 3 174.577 174.577 174.744 -0.167 25627
9385 1 19 . 1 1 3 3 THR CA C 3 61.679 61.679 63.346 -1.667 25627
9386 1 19 . 1 1 3 3 THR CB C 3 69.864 69.864 69.227 0.637 25627
9387 1 19 . 1 1 3 3 THR H H 3 8.099 8.099 8.267 -0.168 25627
9388 1 19 . 1 1 4 4 SER N N 4 117.235 117.235 119.524 -2.289 25627
9389 1 19 . 1 1 4 4 SER HA H 4 4.440 4.440 4.562 -0.122 25627
9390 1 19 . 1 1 4 4 SER C C 4 173.887 173.887 173.951 -0.064 25627
9391 1 19 . 1 1 4 4 SER CA C 4 58.314 58.314 57.868 0.446 25627
9392 1 19 . 1 1 4 4 SER CB C 4 63.951 63.951 63.759 0.192 25627
9393 1 19 . 1 1 4 4 SER H H 4 8.238 8.238 8.498 -0.260 25627
9394 1 19 . 1 1 5 5 ASP N N 5 122.543 122.543 123.403 -0.860 25627
9395 1 19 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.558 0.025 25627
9396 1 19 . 1 1 5 5 ASP C C 5 175.690 175.690 175.887 -0.197 25627
9397 1 19 . 1 1 5 5 ASP CA C 5 54.146 54.146 54.266 -0.120 25627
9398 1 19 . 1 1 5 5 ASP CB C 5 41.166 41.166 41.752 -0.586 25627
9399 1 19 . 1 1 5 5 ASP H H 5 8.321 8.321 8.010 0.311 25627
9400 1 19 . 1 1 6 6 VAL N N 6 121.235 121.235 124.117 -2.882 25627
9401 1 19 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.100 -0.002 25627
9402 1 19 . 1 1 6 6 VAL C C 6 175.211 175.211 175.816 -0.605 25627
9403 1 19 . 1 1 6 6 VAL CA C 6 62.322 62.322 62.306 0.015 25627
9404 1 19 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.373 0.208 25627
9405 1 19 . 1 1 6 6 VAL H H 6 7.942 7.942 8.366 -0.424 25627
9406 1 19 . 1 1 7 7 LYS N N 7 125.356 125.356 129.281 -3.925 25627
9407 1 19 . 1 1 7 7 LYS CA C 7 53.311 53.311 53.796 -0.485 25627
9408 1 19 . 1 1 7 7 LYS CB C 7 33.494 33.494 31.314 2.180 25627
9409 1 19 . 1 1 7 7 LYS H H 7 8.383 8.383 8.351 0.032 25627
9410 1 19 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.452 -0.493 25627
9411 1 19 . 1 1 8 8 PRO C C 8 176.346 176.346 176.369 -0.023 25627
9412 1 19 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.260 -0.267 25627
9413 1 19 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.270 -0.267 25627
9414 1 19 . 1 1 9 9 LYS N N 9 122.609 122.609 121.347 1.262 25627
9415 1 19 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.349 -0.062 25627
9416 1 19 . 1 1 9 9 LYS C C 9 177.164 177.164 176.677 0.487 25627
9417 1 19 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.058 0.164 25627
9418 1 19 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.791 0.171 25627
9419 1 19 . 1 1 9 9 LYS H H 9 9.393 9.393 8.520 0.873 25627
9420 1 19 . 1 1 10 10 SER N N 10 111.655 111.655 112.292 -0.637 25627
9421 1 19 . 1 1 10 10 SER HA H 10 4.563 4.563 4.658 -0.095 25627
9422 1 19 . 1 1 10 10 SER C C 10 171.697 171.697 172.160 -0.463 25627
9423 1 19 . 1 1 10 10 SER CA C 10 57.614 57.614 57.842 -0.228 25627
9424 1 19 . 1 1 10 10 SER CB C 10 64.687 64.687 66.421 -1.734 25627
9425 1 19 . 1 1 10 10 SER H H 10 7.846 7.846 7.819 0.027 25627
9426 1 19 . 1 1 11 11 ILE N N 11 121.054 121.054 120.858 0.196 25627
9427 1 19 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.492 0.039 25627
9428 1 19 . 1 1 11 11 ILE C C 11 175.460 175.460 175.015 0.445 25627
9429 1 19 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.883 -0.089 25627
9430 1 19 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.486 -0.381 25627
9431 1 19 . 1 1 11 11 ILE H H 11 8.128 8.128 8.464 -0.336 25627
9432 1 19 . 1 1 12 12 SER N N 12 122.340 122.340 121.416 0.924 25627
9433 1 19 . 1 1 12 12 SER HA H 12 4.757 4.757 4.953 -0.196 25627
9434 1 19 . 1 1 12 12 SER C C 12 172.771 172.771 172.809 -0.038 25627
9435 1 19 . 1 1 12 12 SER CA C 12 56.498 56.498 56.291 0.207 25627
9436 1 19 . 1 1 12 12 SER CB C 12 65.418 65.418 65.129 0.289 25627
9437 1 19 . 1 1 12 12 SER H H 12 8.782 8.782 8.995 -0.213 25627
9438 1 19 . 1 1 13 13 ARG N N 13 119.603 119.603 120.256 -0.653 25627
9439 1 19 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.507 0.369 25627
9440 1 19 . 1 1 13 13 ARG C C 13 176.720 176.720 175.795 0.925 25627
9441 1 19 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.726 -0.418 25627
9442 1 19 . 1 1 13 13 ARG CB C 13 31.754 31.754 32.169 -0.415 25627
9443 1 19 . 1 1 13 13 ARG H H 13 8.374 8.374 8.462 -0.088 25627
9444 1 19 . 1 1 14 14 ALA N N 14 127.004 127.004 128.372 -1.368 25627
9445 1 19 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.146 -0.036 25627
9446 1 19 . 1 1 14 14 ALA C C 14 176.523 176.523 176.369 0.154 25627
9447 1 19 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.702 -0.160 25627
9448 1 19 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.674 0.413 25627
9449 1 19 . 1 1 14 14 ALA H H 14 8.725 8.725 8.305 0.420 25627
9450 1 19 . 1 1 15 15 LYS N N 15 117.157 117.157 120.997 -3.840 25627
9451 1 19 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.170 0.202 25627
9452 1 19 . 1 1 15 15 LYS C C 15 176.383 176.383 176.797 -0.414 25627
9453 1 19 . 1 1 15 15 LYS CA C 15 56.626 56.626 56.839 -0.213 25627
9454 1 19 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.087 1.523 25627
9455 1 19 . 1 1 15 15 LYS H H 15 8.518 8.518 8.494 0.024 25627
9456 1 19 . 1 1 16 16 LYS N N 16 116.265 116.265 119.208 -2.943 25627
9457 1 19 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.443 0.132 25627
9458 1 19 . 1 1 16 16 LYS C C 16 174.584 174.584 174.993 -0.409 25627
9459 1 19 . 1 1 16 16 LYS CA C 16 54.694 54.694 55.171 -0.477 25627
9460 1 19 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.542 1.062 25627
9461 1 19 . 1 1 16 16 LYS H H 16 7.429 7.429 7.437 -0.008 25627
9462 1 19 . 1 1 17 17 TRP N N 17 123.638 123.638 126.173 -2.535 25627
9463 1 19 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.454 -0.669 25627
9464 1 19 . 1 1 17 17 TRP C C 17 174.781 174.781 174.751 0.030 25627
9465 1 19 . 1 1 17 17 TRP CA C 17 61.877 61.877 59.463 2.414 25627
9466 1 19 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.840 -0.919 25627
9467 1 19 . 1 1 17 17 TRP H H 17 9.412 9.412 8.524 0.888 25627
9468 1 19 . 1 1 18 18 SER N N 18 119.926 119.926 118.287 1.639 25627
9469 1 19 . 1 1 18 18 SER HA H 18 3.831 3.831 3.693 0.138 25627
9470 1 19 . 1 1 18 18 SER C C 18 172.100 172.100 174.147 -2.047 25627
9471 1 19 . 1 1 18 18 SER CA C 18 56.830 56.830 56.405 0.425 25627
9472 1 19 . 1 1 18 18 SER CB C 18 66.241 66.241 65.888 0.353 25627
9473 1 19 . 1 1 18 18 SER H H 18 6.081 6.081 7.238 -1.157 25627
9474 1 19 . 1 1 19 19 GLU N N 19 120.673 120.673 122.311 -1.638 25627
9475 1 19 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.950 -0.303 25627
9476 1 19 . 1 1 19 19 GLU C C 19 177.682 177.682 178.454 -0.772 25627
9477 1 19 . 1 1 19 19 GLU CA C 19 60.579 60.579 60.178 0.400 25627
9478 1 19 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.403 -0.780 25627
9479 1 19 . 1 1 19 19 GLU H H 19 9.355 9.355 8.593 0.762 25627
9480 1 19 . 1 1 20 20 GLU N N 20 117.979 117.979 118.038 -0.059 25627
9481 1 19 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.027 0.197 25627
9482 1 19 . 1 1 20 20 GLU C C 20 179.454 179.454 178.413 1.041 25627
9483 1 19 . 1 1 20 20 GLU CA C 20 59.251 59.251 58.802 0.449 25627
9484 1 19 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.354 0.361 25627
9485 1 19 . 1 1 20 20 GLU H H 20 7.946 7.946 7.548 0.398 25627
9486 1 19 . 1 1 21 21 ILE N N 21 121.560 121.560 120.158 1.402 25627
9487 1 19 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.816 -0.039 25627
9488 1 19 . 1 1 21 21 ILE C C 21 176.700 176.700 178.033 -1.333 25627
9489 1 19 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.750 -0.772 25627
9490 1 19 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.611 -0.517 25627
9491 1 19 . 1 1 21 21 ILE H H 21 7.122 7.122 7.267 -0.145 25627
9492 1 19 . 1 1 22 22 GLU N N 22 121.372 121.372 120.680 0.692 25627
9493 1 19 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.909 0.090 25627
9494 1 19 . 1 1 22 22 GLU C C 22 178.416 178.416 178.927 -0.511 25627
9495 1 19 . 1 1 22 22 GLU CA C 22 59.018 59.018 59.956 -0.938 25627
9496 1 19 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.356 -1.204 25627
9497 1 19 . 1 1 22 22 GLU H H 22 8.017 8.017 8.464 -0.447 25627
9498 1 19 . 1 1 23 23 ASN N N 23 114.717 114.717 117.758 -3.041 25627
9499 1 19 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.521 0.216 25627
9500 1 19 . 1 1 23 23 ASN C C 23 177.565 177.565 177.732 -0.167 25627
9501 1 19 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.274 0.090 25627
9502 1 19 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.521 0.285 25627
9503 1 19 . 1 1 23 23 ASN H H 23 7.352 7.352 7.722 -0.370 25627
9504 1 19 . 1 1 24 24 LEU N N 24 122.083 122.083 121.004 1.079 25627
9505 1 19 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.983 0.420 25627
9506 1 19 . 1 1 24 24 LEU C C 24 178.487 178.487 179.063 -0.576 25627
9507 1 19 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.193 1.304 25627
9508 1 19 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.870 0.365 25627
9509 1 19 . 1 1 24 24 LEU H H 24 8.232 8.232 7.852 0.380 25627
9510 1 19 . 1 1 25 25 TYR N N 25 118.898 118.898 120.307 -1.409 25627
9511 1 19 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.144 -0.069 25627
9512 1 19 . 1 1 25 25 TYR C C 25 177.164 177.164 177.558 -0.394 25627
9513 1 19 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.736 -0.195 25627
9514 1 19 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.405 -0.871 25627
9515 1 19 . 1 1 25 25 TYR H H 25 9.056 9.056 9.004 0.052 25627
9516 1 19 . 1 1 26 26 ARG N N 26 119.000 119.000 118.761 0.239 25627
9517 1 19 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.908 -0.550 25627
9518 1 19 . 1 1 26 26 ARG C C 26 179.709 179.709 178.876 0.833 25627
9519 1 19 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.763 0.506 25627
9520 1 19 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.848 -1.254 25627
9521 1 19 . 1 1 26 26 ARG H H 26 7.672 7.672 8.017 -0.345 25627
9522 1 19 . 1 1 27 27 PHE N N 27 119.640 119.640 120.420 -0.780 25627
9523 1 19 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.183 -0.313 25627
9524 1 19 . 1 1 27 27 PHE C C 27 178.542 178.542 178.011 0.531 25627
9525 1 19 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.103 2.329 25627
9526 1 19 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.702 -0.742 25627
9527 1 19 . 1 1 27 27 PHE H H 27 8.497 8.497 8.860 -0.363 25627
9528 1 19 . 1 1 28 28 GLN N N 28 120.400 120.400 118.694 1.706 25627
9529 1 19 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.047 0.678 25627
9530 1 19 . 1 1 28 28 GLN C C 28 182.258 182.258 178.611 3.647 25627
9531 1 19 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.744 0.219 25627
9532 1 19 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.605 -1.843 25627
9533 1 19 . 1 1 28 28 GLN H H 28 8.995 8.995 8.747 0.248 25627
9534 1 19 . 1 1 29 29 GLN N N 29 122.649 122.649 117.654 4.995 25627
9535 1 19 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.955 0.001 25627
9536 1 19 . 1 1 29 29 GLN C C 29 177.046 177.046 178.132 -1.086 25627
9537 1 19 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.140 0.089 25627
9538 1 19 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.352 0.859 25627
9539 1 19 . 1 1 29 29 GLN H H 29 8.728 8.728 7.919 0.809 25627
9540 1 19 . 1 1 30 30 ALA N N 30 117.672 117.672 118.689 -1.017 25627
9541 1 19 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.900 0.229 25627
9542 1 19 . 1 1 30 30 ALA C C 30 175.371 175.371 177.028 -1.657 25627
9543 1 19 . 1 1 30 30 ALA CA C 30 52.212 52.212 53.102 -0.890 25627
9544 1 19 . 1 1 30 30 ALA CB C 30 19.196 19.196 19.140 0.056 25627
9545 1 19 . 1 1 30 30 ALA H H 30 7.120 7.120 7.670 -0.550 25627
9546 1 19 . 1 1 31 31 GLY N N 31 103.200 103.200 102.577 0.623 25627
9547 1 19 . 1 1 31 31 GLY C C 31 173.625 173.625 173.505 0.120 25627
9548 1 19 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.609 0.699 25627
9549 1 19 . 1 1 31 31 GLY H H 31 7.474 7.474 7.724 -0.250 25627
9550 1 19 . 1 1 32 32 TYR N N 32 121.303 121.303 119.982 1.321 25627
9551 1 19 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.873 0.064 25627
9552 1 19 . 1 1 32 32 TYR C C 32 174.419 174.419 175.717 -1.298 25627
9553 1 19 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.127 1.085 25627
9554 1 19 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.088 2.326 25627
9555 1 19 . 1 1 32 32 TYR H H 32 8.403 8.403 8.026 0.377 25627
9556 1 19 . 1 1 33 33 ARG N N 33 118.245 118.245 119.509 -1.264 25627
9557 1 19 . 1 1 33 33 ARG HA H 33 3.951 3.951 4.197 -0.246 25627
9558 1 19 . 1 1 33 33 ARG C C 33 175.618 175.618 175.076 0.542 25627
9559 1 19 . 1 1 33 33 ARG CA C 33 60.574 60.574 56.429 4.145 25627
9560 1 19 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.590 1.395 25627
9561 1 19 . 1 1 33 33 ARG H H 33 9.571 9.571 8.757 0.814 25627
9562 1 19 . 1 1 34 34 ASP N N 34 105.630 105.630 116.552 -10.922 25627
9563 1 19 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.382 -0.559 25627
9564 1 19 . 1 1 34 34 ASP C C 34 174.754 174.754 176.672 -1.918 25627
9565 1 19 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.444 -0.179 25627
9566 1 19 . 1 1 34 34 ASP CB C 34 39.819 39.819 41.810 -1.991 25627
9567 1 19 . 1 1 34 34 ASP H H 34 6.995 6.995 7.835 -0.840 25627
9568 1 19 . 1 1 35 35 GLU N N 35 118.215 118.215 120.221 -2.006 25627
9569 1 19 . 1 1 35 35 GLU HA H 35 2.903 2.903 4.239 -1.336 25627
9570 1 19 . 1 1 35 35 GLU C C 35 177.043 177.043 178.335 -1.292 25627
9571 1 19 . 1 1 35 35 GLU CA C 35 58.601 58.601 60.825 -2.224 25627
9572 1 19 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.246 0.867 25627
9573 1 19 . 1 1 35 35 GLU H H 35 7.818 7.818 8.592 -0.774 25627
9574 1 19 . 1 1 36 36 ILE N N 36 118.404 118.404 118.002 0.402 25627
9575 1 19 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.683 -0.262 25627
9576 1 19 . 1 1 36 36 ILE C C 36 179.143 179.143 177.882 1.261 25627
9577 1 19 . 1 1 36 36 ILE CA C 36 64.460 64.460 64.459 0.001 25627
9578 1 19 . 1 1 36 36 ILE CB C 36 36.502 36.502 36.473 0.029 25627
9579 1 19 . 1 1 36 36 ILE H H 36 6.833 6.833 8.174 -1.341 25627
9580 1 19 . 1 1 37 37 GLU N N 37 120.573 120.573 119.690 0.883 25627
9581 1 19 . 1 1 37 37 GLU HA H 37 4.006 4.006 3.931 0.075 25627
9582 1 19 . 1 1 37 37 GLU C C 37 178.417 178.417 178.710 -0.293 25627
9583 1 19 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.955 0.469 25627
9584 1 19 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.390 0.508 25627
9585 1 19 . 1 1 37 37 GLU H H 37 8.463 8.463 8.267 0.196 25627
9586 1 19 . 1 1 38 38 TYR N N 38 117.942 117.942 121.381 -3.439 25627
9587 1 19 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.408 0.075 25627
9588 1 19 . 1 1 38 38 TYR C C 38 176.772 176.772 177.552 -0.780 25627
9589 1 19 . 1 1 38 38 TYR CA C 38 62.767 62.767 61.314 1.453 25627
9590 1 19 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.216 1.763 25627
9591 1 19 . 1 1 38 38 TYR H H 38 7.949 7.949 7.859 0.090 25627
9592 1 19 . 1 1 39 39 LYS N N 39 115.539 115.539 117.961 -2.422 25627
9593 1 19 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.575 0.073 25627
9594 1 19 . 1 1 39 39 LYS C C 39 179.543 179.543 179.193 0.350 25627
9595 1 19 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.852 0.795 25627
9596 1 19 . 1 1 39 39 LYS CB C 39 32.223 32.223 32.096 0.127 25627
9597 1 19 . 1 1 39 39 LYS H H 39 8.287 8.287 8.570 -0.283 25627
9598 1 19 . 1 1 40 40 GLN N N 40 118.265 118.265 118.156 0.109 25627
9599 1 19 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.012 -0.001 25627
9600 1 19 . 1 1 40 40 GLN C C 40 178.263 178.263 178.344 -0.081 25627
9601 1 19 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.235 0.518 25627
9602 1 19 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.272 0.304 25627
9603 1 19 . 1 1 40 40 GLN H H 40 7.605 7.605 7.518 0.087 25627
9604 1 19 . 1 1 41 41 VAL N N 41 118.627 118.627 119.537 -0.910 25627
9605 1 19 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.683 0.079 25627
9606 1 19 . 1 1 41 41 VAL C C 41 178.092 178.092 177.541 0.551 25627
9607 1 19 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.349 0.360 25627
9608 1 19 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.488 1.154 25627
9609 1 19 . 1 1 41 41 VAL H H 41 8.470 8.470 7.790 0.680 25627
9610 1 19 . 1 1 42 42 LYS N N 42 115.117 115.117 116.519 -1.402 25627
9611 1 19 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.347 -0.097 25627
9612 1 19 . 1 1 42 42 LYS C C 42 176.102 176.102 175.736 0.366 25627
9613 1 19 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.856 -0.955 25627
9614 1 19 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.124 -0.959 25627
9615 1 19 . 1 1 42 42 LYS H H 42 8.263 8.263 7.436 0.827 25627
9616 1 19 . 1 1 43 43 GLN N N 43 116.108 116.108 116.172 -0.064 25627
9617 1 19 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.925 0.043 25627
9618 1 19 . 1 1 43 43 GLN C C 43 175.125 175.125 175.171 -0.046 25627
9619 1 19 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.581 -0.026 25627
9620 1 19 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.988 -0.076 25627
9621 1 19 . 1 1 43 43 GLN H H 43 7.717 7.717 7.824 -0.107 25627
9622 1 19 . 1 1 44 44 VAL N N 44 110.285 110.285 113.465 -3.180 25627
9623 1 19 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.429 0.129 25627
9624 1 19 . 1 1 44 44 VAL C C 44 175.431 175.431 173.934 1.497 25627
9625 1 19 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.551 -0.311 25627
9626 1 19 . 1 1 44 44 VAL CB C 44 34.732 34.732 34.375 0.357 25627
9627 1 19 . 1 1 44 44 VAL H H 44 6.817 6.817 7.480 -0.663 25627
9628 1 19 . 1 1 45 45 ALA N N 45 123.422 123.422 122.677 0.745 25627
9629 1 19 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.559 -0.204 25627
9630 1 19 . 1 1 45 45 ALA C C 45 177.543 177.543 176.835 0.708 25627
9631 1 19 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.318 0.503 25627
9632 1 19 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.274 0.538 25627
9633 1 19 . 1 1 45 45 ALA H H 45 8.571 8.571 8.182 0.389 25627
9634 1 19 . 1 1 46 46 MET N N 46 114.808 114.808 118.986 -4.178 25627
9635 1 19 . 1 1 46 46 MET HA H 46 4.724 4.724 4.846 -0.122 25627
9636 1 19 . 1 1 46 46 MET C C 46 173.698 173.698 174.506 -0.808 25627
9637 1 19 . 1 1 46 46 MET CA C 46 54.230 54.230 54.782 -0.552 25627
9638 1 19 . 1 1 46 46 MET CB C 46 34.793 34.793 35.893 -1.100 25627
9639 1 19 . 1 1 46 46 MET H H 46 7.657 7.657 7.797 -0.140 25627
9640 1 19 . 1 1 47 47 VAL N N 47 120.757 120.757 122.575 -1.818 25627
9641 1 19 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.393 -0.114 25627
9642 1 19 . 1 1 47 47 VAL C C 47 174.985 174.985 175.034 -0.049 25627
9643 1 19 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.252 -0.216 25627
9644 1 19 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.855 -0.029 25627
9645 1 19 . 1 1 47 47 VAL H H 47 8.459 8.459 8.608 -0.149 25627
9646 1 19 . 1 1 48 48 ASP N N 48 126.251 126.251 127.662 -1.411 25627
9647 1 19 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.642 -0.169 25627
9648 1 19 . 1 1 48 48 ASP C C 48 175.819 175.819 175.489 0.330 25627
9649 1 19 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.751 0.721 25627
9650 1 19 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.390 0.744 25627
9651 1 19 . 1 1 48 48 ASP H H 48 8.929 8.929 8.693 0.236 25627
9652 1 19 . 1 1 49 49 ARG N N 49 122.995 122.995 120.950 2.045 25627
9653 1 19 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.208 -0.449 25627
9654 1 19 . 1 1 49 49 ARG C C 49 176.363 176.363 175.174 1.189 25627
9655 1 19 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.490 0.124 25627
9656 1 19 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.734 -0.264 25627
9657 1 19 . 1 1 49 49 ARG H H 49 8.534 8.534 8.215 0.319 25627
9658 1 19 . 1 1 50 50 TRP N N 50 125.191 125.191 121.938 3.253 25627
9659 1 19 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.136 -0.472 25627
9660 1 19 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.544 0.051 25627
9661 1 19 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.024 0.089 25627
9662 1 19 . 1 1 50 50 TRP H H 50 9.111 9.111 8.424 0.687 25627
9663 1 19 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.237 0.108 25627
9664 1 19 . 1 1 51 51 PRO C C 51 178.698 178.698 177.513 1.185 25627
9665 1 19 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.211 -0.637 25627
9666 1 19 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.023 0.140 25627
9667 1 19 . 1 1 52 52 GLU N N 52 116.570 116.570 118.493 -1.923 25627
9668 1 19 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.176 -0.206 25627
9669 1 19 . 1 1 52 52 GLU C C 52 178.031 178.031 177.846 0.185 25627
9670 1 19 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.742 2.016 25627
9671 1 19 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.357 0.257 25627
9672 1 19 . 1 1 52 52 GLU H H 52 9.951 9.951 9.012 0.939 25627
9673 1 19 . 1 1 53 53 THR N N 53 103.788 103.788 106.970 -3.182 25627
9674 1 19 . 1 1 53 53 THR HA H 53 4.135 4.135 4.343 -0.208 25627
9675 1 19 . 1 1 53 53 THR C C 53 175.731 175.731 175.175 0.556 25627
9676 1 19 . 1 1 53 53 THR CA C 53 60.427 60.427 62.037 -1.610 25627
9677 1 19 . 1 1 53 53 THR CB C 53 70.762 70.762 70.830 -0.068 25627
9678 1 19 . 1 1 53 53 THR H H 53 7.120 7.120 7.626 -0.506 25627
9679 1 19 . 1 1 54 54 GLY N N 54 109.195 109.195 110.203 -1.008 25627
9680 1 19 . 1 1 54 54 GLY C C 54 174.593 174.593 174.127 0.466 25627
9681 1 19 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.191 0.557 25627
9682 1 19 . 1 1 54 54 GLY H H 54 8.227 8.227 8.107 0.120 25627
9683 1 19 . 1 1 55 55 TYR N N 55 119.038 119.038 119.524 -0.486 25627
9684 1 19 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.728 0.977 25627
9685 1 19 . 1 1 55 55 TYR C C 55 177.556 177.556 176.592 0.964 25627
9686 1 19 . 1 1 55 55 TYR CA C 55 53.730 53.730 56.803 -3.073 25627
9687 1 19 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.476 -0.735 25627
9688 1 19 . 1 1 55 55 TYR H H 55 7.353 7.353 7.349 0.004 25627
9689 1 19 . 1 1 56 56 VAL N N 56 120.089 120.089 121.404 -1.315 25627
9690 1 19 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.120 -0.507 25627
9691 1 19 . 1 1 56 56 VAL C C 56 174.564 174.564 176.832 -2.268 25627
9692 1 19 . 1 1 56 56 VAL CA C 56 64.767 64.767 63.727 1.040 25627
9693 1 19 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.838 0.929 25627
9694 1 19 . 1 1 56 56 VAL H H 56 8.252 8.252 8.604 -0.352 25627
9695 1 19 . 1 1 57 57 LYS N N 57 127.233 127.233 128.889 -1.656 25627
9696 1 19 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.784 -0.336 25627
9697 1 19 . 1 1 57 57 LYS C C 57 175.256 175.256 176.306 -1.050 25627
9698 1 19 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.370 -1.387 25627
9699 1 19 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.752 1.498 25627
9700 1 19 . 1 1 57 57 LYS H H 57 9.005 9.005 8.756 0.249 25627
9701 1 19 . 1 1 58 58 LYS N N 58 115.918 115.918 115.523 0.395 25627
9702 1 19 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.457 -0.087 25627
9703 1 19 . 1 1 58 58 LYS C C 58 174.030 174.030 174.700 -0.670 25627
9704 1 19 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.300 -0.446 25627
9705 1 19 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.316 -0.493 25627
9706 1 19 . 1 1 58 58 LYS H H 58 6.921 6.921 7.652 -0.731 25627
9707 1 19 . 1 1 59 59 LEU N N 59 121.666 121.666 122.384 -0.718 25627
9708 1 19 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.671 -0.022 25627
9709 1 19 . 1 1 59 59 LEU C C 59 174.451 174.451 175.127 -0.676 25627
9710 1 19 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.367 -0.895 25627
9711 1 19 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.306 0.633 25627
9712 1 19 . 1 1 59 59 LEU H H 59 8.793 8.793 9.056 -0.263 25627
9713 1 19 . 1 1 60 60 GLN N N 60 121.710 121.710 124.595 -2.885 25627
9714 1 19 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.528 -0.092 25627
9715 1 19 . 1 1 60 60 GLN C C 60 176.636 176.636 175.693 0.943 25627
9716 1 19 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.519 -0.602 25627
9717 1 19 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.613 0.723 25627
9718 1 19 . 1 1 60 60 GLN H H 60 8.879 8.879 8.797 0.082 25627
9719 1 19 . 1 1 61 61 ARG N N 61 126.172 126.172 125.033 1.139 25627
9720 1 19 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.073 0.470 25627
9721 1 19 . 1 1 61 61 ARG C C 61 178.315 178.315 177.878 0.437 25627
9722 1 19 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.971 1.602 25627
9723 1 19 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.470 1.431 25627
9724 1 19 . 1 1 61 61 ARG H H 61 9.387 9.387 8.601 0.786 25627
9725 1 19 . 1 1 62 62 ARG N N 62 123.754 123.754 119.357 4.397 25627
9726 1 19 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.138 -0.270 25627
9727 1 19 . 1 1 62 62 ARG C C 62 176.508 176.508 176.397 0.111 25627
9728 1 19 . 1 1 62 62 ARG CA C 62 59.863 59.863 57.500 2.363 25627
9729 1 19 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.510 -0.046 25627
9730 1 19 . 1 1 62 62 ARG H H 62 9.385 9.385 8.219 1.166 25627
9731 1 19 . 1 1 63 63 ASP N N 63 116.155 116.155 117.580 -1.425 25627
9732 1 19 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.629 -0.198 25627
9733 1 19 . 1 1 63 63 ASP C C 63 176.163 176.163 175.326 0.837 25627
9734 1 19 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.690 -0.504 25627
9735 1 19 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.075 -0.319 25627
9736 1 19 . 1 1 63 63 ASP H H 63 7.505 7.505 7.922 -0.417 25627
9737 1 19 . 1 1 64 64 ASN N N 64 110.183 110.183 114.122 -3.939 25627
9738 1 19 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.199 -0.112 25627
9739 1 19 . 1 1 64 64 ASN C C 64 175.432 175.432 173.511 1.921 25627
9740 1 19 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.307 1.123 25627
9741 1 19 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.270 -0.236 25627
9742 1 19 . 1 1 64 64 ASN H H 64 7.791 7.791 7.987 -0.196 25627
9743 1 19 . 1 1 65 65 THR N N 65 112.736 112.736 110.613 2.123 25627
9744 1 19 . 1 1 65 65 THR HA H 65 4.414 4.414 4.439 -0.025 25627
9745 1 19 . 1 1 65 65 THR C C 65 173.653 173.653 173.412 0.241 25627
9746 1 19 . 1 1 65 65 THR CA C 65 62.342 62.342 60.610 1.732 25627
9747 1 19 . 1 1 65 65 THR CB C 65 70.946 70.946 70.511 0.435 25627
9748 1 19 . 1 1 65 65 THR H H 65 7.921 7.921 7.068 0.853 25627
9749 1 19 . 1 1 66 66 PHE N N 66 118.850 118.850 124.911 -6.061 25627
9750 1 19 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.558 0.586 25627
9751 1 19 . 1 1 66 66 PHE C C 66 174.762 174.762 175.059 -0.297 25627
9752 1 19 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.428 0.051 25627
9753 1 19 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.149 3.114 25627
9754 1 19 . 1 1 66 66 PHE H H 66 8.926 8.926 8.858 0.068 25627
9755 1 19 . 1 1 67 67 PHE N N 67 124.259 124.259 125.374 -1.115 25627
9756 1 19 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.549 0.115 25627
9757 1 19 . 1 1 67 67 PHE C C 67 173.553 173.553 174.042 -0.489 25627
9758 1 19 . 1 1 67 67 PHE CA C 67 55.904 55.904 55.011 0.893 25627
9759 1 19 . 1 1 67 67 PHE CB C 67 42.337 42.337 40.869 1.468 25627
9760 1 19 . 1 1 67 67 PHE H H 67 9.142 9.142 8.627 0.515 25627
9761 1 19 . 1 1 68 68 TYR N N 68 122.881 122.881 124.601 -1.720 25627
9762 1 19 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.694 0.177 25627
9763 1 19 . 1 1 68 68 TYR C C 68 174.835 174.835 175.546 -0.711 25627
9764 1 19 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.195 -0.802 25627
9765 1 19 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.770 1.419 25627
9766 1 19 . 1 1 68 68 TYR H H 68 8.064 8.064 8.416 -0.352 25627
9767 1 19 . 1 1 69 69 TYR N N 69 118.675 118.675 123.833 -5.158 25627
9768 1 19 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.722 0.303 25627
9769 1 19 . 1 1 69 69 TYR C C 69 177.181 177.181 175.616 1.565 25627
9770 1 19 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.249 -0.338 25627
9771 1 19 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.371 2.052 25627
9772 1 19 . 1 1 69 69 TYR H H 69 8.384 8.384 8.807 -0.423 25627
9773 1 19 . 1 1 70 70 ASN N N 70 122.917 122.917 119.858 3.059 25627
9774 1 19 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.845 -0.050 25627
9775 1 19 . 1 1 70 70 ASN C C 70 175.433 175.433 175.917 -0.484 25627
9776 1 19 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.506 0.853 25627
9777 1 19 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.537 -0.160 25627
9778 1 19 . 1 1 70 70 ASN H H 70 9.832 9.832 8.640 1.192 25627
9779 1 19 . 1 1 71 71 LYS N N 71 123.116 123.116 124.493 -1.377 25627
9780 1 19 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.319 -2.080 25627
9781 1 19 . 1 1 71 71 LYS C C 71 175.495 175.495 177.256 -1.761 25627
9782 1 19 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.066 0.355 25627
9783 1 19 . 1 1 71 71 LYS CB C 71 32.077 32.077 31.947 0.130 25627
9784 1 19 . 1 1 71 71 LYS H H 71 8.047 8.047 8.624 -0.577 25627
9785 1 19 . 1 1 72 72 GLU N N 72 113.242 113.242 120.922 -7.680 25627
9786 1 19 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.322 0.056 25627
9787 1 19 . 1 1 72 72 GLU C C 72 175.018 175.018 175.403 -0.385 25627
9788 1 19 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.365 -0.558 25627
9789 1 19 . 1 1 72 72 GLU CB C 72 30.432 30.432 28.134 2.298 25627
9790 1 19 . 1 1 72 72 GLU H H 72 7.335 7.335 7.794 -0.459 25627
9791 1 19 . 1 1 73 73 ARG N N 73 118.120 118.120 120.780 -2.660 25627
9792 1 19 . 1 1 73 73 ARG HA H 73 3.354 3.354 4.111 -0.757 25627
9793 1 19 . 1 1 73 73 ARG C C 73 175.859 175.859 175.864 -0.005 25627
9794 1 19 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.299 0.375 25627
9795 1 19 . 1 1 73 73 ARG CB C 73 31.134 31.134 29.537 1.597 25627
9796 1 19 . 1 1 73 73 ARG H H 73 8.174 8.174 8.206 -0.032 25627
9797 1 19 . 1 1 74 74 GLU N N 74 127.360 127.360 122.894 4.466 25627
9798 1 19 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.272 0.221 25627
9799 1 19 . 1 1 74 74 GLU C C 74 176.415 176.415 175.018 1.397 25627
9800 1 19 . 1 1 74 74 GLU CA C 74 57.061 57.061 56.612 0.449 25627
9801 1 19 . 1 1 74 74 GLU CB C 74 33.462 33.462 31.094 2.368 25627
9802 1 19 . 1 1 74 74 GLU H H 74 10.788 10.788 8.625 2.163 25627
9803 1 19 . 1 1 75 75 CYS N N 75 123.441 123.441 120.646 2.795 25627
9804 1 19 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.289 -0.813 25627
9805 1 19 . 1 1 75 75 CYS C C 75 174.198 174.198 173.910 0.288 25627
9806 1 19 . 1 1 75 75 CYS CA C 75 59.022 59.022 59.110 -0.088 25627
9807 1 19 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.360 -2.138 25627
9808 1 19 . 1 1 75 75 CYS H H 75 9.198 9.198 7.942 1.256 25627
9809 1 19 . 1 1 76 76 GLU N N 76 131.177 131.177 123.657 7.520 25627
9810 1 19 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.244 -0.249 25627
9811 1 19 . 1 1 76 76 GLU C C 76 177.122 177.122 176.672 0.450 25627
9812 1 19 . 1 1 76 76 GLU CA C 76 56.816 56.816 55.071 1.745 25627
9813 1 19 . 1 1 76 76 GLU CB C 76 30.668 30.668 31.901 -1.234 25627
9814 1 19 . 1 1 76 76 GLU H H 76 8.452 8.452 8.215 0.237 25627
9815 1 19 . 1 1 77 77 ASP N N 77 123.154 123.154 122.917 0.237 25627
9816 1 19 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.453 -0.117 25627
9817 1 19 . 1 1 77 77 ASP C C 77 179.545 179.545 178.417 1.128 25627
9818 1 19 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.804 0.806 25627
9819 1 19 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.716 -0.767 25627
9820 1 19 . 1 1 77 77 ASP H H 77 9.067 9.067 8.585 0.482 25627
9821 1 19 . 1 1 78 78 LYS N N 78 116.055 116.055 118.766 -2.711 25627
9822 1 19 . 1 1 78 78 LYS HA H 78 4.298 4.298 3.997 0.301 25627
9823 1 19 . 1 1 78 78 LYS C C 78 176.146 176.146 178.728 -2.582 25627
9824 1 19 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.167 -0.683 25627
9825 1 19 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.298 -0.459 25627
9826 1 19 . 1 1 78 78 LYS H H 78 8.664 8.664 8.372 0.292 25627
9827 1 19 . 1 1 79 79 GLU N N 79 117.481 117.481 118.680 -1.199 25627
9828 1 19 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.290 0.157 25627
9829 1 19 . 1 1 79 79 GLU C C 79 177.666 177.666 179.020 -1.354 25627
9830 1 19 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.465 -2.860 25627
9831 1 19 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.563 1.425 25627
9832 1 19 . 1 1 79 79 GLU H H 79 7.735 7.735 8.347 -0.612 25627
9833 1 19 . 1 1 80 80 VAL N N 80 121.192 121.192 121.164 0.028 25627
9834 1 19 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.588 -0.345 25627
9835 1 19 . 1 1 80 80 VAL C C 80 176.731 176.731 177.696 -0.965 25627
9836 1 19 . 1 1 80 80 VAL CA C 80 66.875 66.875 67.420 -0.545 25627
9837 1 19 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.826 0.347 25627
9838 1 19 . 1 1 80 80 VAL H H 80 7.274 7.274 7.817 -0.543 25627
9839 1 19 . 1 1 81 81 HIS N N 81 112.861 112.861 116.215 -3.354 25627
9840 1 19 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.319 0.329 25627
9841 1 19 . 1 1 81 81 HIS C C 81 175.330 175.330 177.672 -2.342 25627
9842 1 19 . 1 1 81 81 HIS CA C 81 57.747 57.747 59.596 -1.849 25627
9843 1 19 . 1 1 81 81 HIS CB C 81 29.180 29.180 29.602 -0.422 25627
9844 1 19 . 1 1 81 81 HIS H H 81 8.157 8.157 7.846 0.311 25627
9845 1 19 . 1 1 82 82 LYS N N 82 117.850 117.850 117.863 -0.013 25627
9846 1 19 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.230 -0.219 25627
9847 1 19 . 1 1 82 82 LYS C C 82 177.430 177.430 177.418 0.012 25627
9848 1 19 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.559 -0.969 25627
9849 1 19 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.870 0.214 25627
9850 1 19 . 1 1 82 82 LYS H H 82 7.264 7.264 7.553 -0.289 25627
9851 1 19 . 1 1 83 83 VAL N N 83 123.619 123.619 121.085 2.534 25627
9852 1 19 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.022 -0.142 25627
9853 1 19 . 1 1 83 83 VAL C C 83 175.239 175.239 174.934 0.305 25627
9854 1 19 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.524 1.288 25627
9855 1 19 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.090 -0.542 25627
9856 1 19 . 1 1 83 83 VAL H H 83 8.126 8.126 8.269 -0.143 25627
9857 1 19 . 1 1 84 84 LYS N N 84 128.994 128.994 128.311 0.683 25627
9858 1 19 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.816 -0.363 25627
9859 1 19 . 1 1 84 84 LYS C C 84 174.399 174.399 175.212 -0.813 25627
9860 1 19 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.742 1.075 25627
9861 1 19 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.020 0.086 25627
9862 1 19 . 1 1 84 84 LYS H H 84 9.031 9.031 8.124 0.907 25627
9863 1 19 . 1 1 85 85 VAL N N 85 120.723 120.723 124.708 -3.985 25627
9864 1 19 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.399 -0.369 25627
9865 1 19 . 1 1 85 85 VAL C C 85 175.482 175.482 175.387 0.095 25627
9866 1 19 . 1 1 85 85 VAL CA C 85 61.642 61.642 60.168 1.474 25627
9867 1 19 . 1 1 85 85 VAL CB C 85 32.488 32.488 32.294 0.194 25627
9868 1 19 . 1 1 85 85 VAL H H 85 8.299 8.299 8.326 -0.027 25627
9869 1 19 . 1 1 86 86 TYR N N 86 126.214 126.214 128.113 -1.899 25627
9870 1 19 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.705 0.021 25627
9871 1 19 . 1 1 86 86 TYR C C 86 175.214 175.214 175.068 0.146 25627
9872 1 19 . 1 1 86 86 TYR CA C 86 58.540 58.540 56.589 1.951 25627
9873 1 19 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.267 1.785 25627
9874 1 19 . 1 1 86 86 TYR H H 86 8.077 8.077 8.591 -0.514 25627
9875 1 19 . 1 1 87 87 VAL N N 87 123.680 123.680 120.163 3.517 25627
9876 1 19 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.282 -0.086 25627
9877 1 19 . 1 1 87 87 VAL C C 87 174.322 174.322 174.615 -0.293 25627
9878 1 19 . 1 1 87 87 VAL CA C 87 61.901 61.901 60.167 1.734 25627
9879 1 19 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.645 0.134 25627
9880 1 19 . 1 1 87 87 VAL H H 87 8.133 8.133 8.931 -0.798 25627
9881 1 20 . 1 1 -1 -1 HIS HA H -1 4.130 4.130 4.549 -0.419 25627
9882 1 20 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 57.066 -2.217 25627
9883 1 20 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 30.399 1.274 25627
9884 1 20 . 1 1 0 0 MET N N 0 120.413 120.413 124.758 -4.345 25627
9885 1 20 . 1 1 0 0 MET HA H 0 4.350 4.350 4.537 -0.187 25627
9886 1 20 . 1 1 0 0 MET C C 0 175.829 175.829 175.154 0.675 25627
9887 1 20 . 1 1 0 0 MET CA C 0 55.134 55.134 55.722 -0.588 25627
9888 1 20 . 1 1 0 0 MET CB C 0 32.391 32.391 33.658 -1.267 25627
9889 1 20 . 1 1 0 0 MET H H 0 8.332 8.332 8.434 -0.102 25627
9890 1 20 . 1 1 1 1 MET N N 1 121.120 121.120 120.457 0.663 25627
9891 1 20 . 1 1 1 1 MET HA H 1 4.443 4.443 4.314 0.129 25627
9892 1 20 . 1 1 1 1 MET C C 1 175.772 175.772 174.187 1.585 25627
9893 1 20 . 1 1 1 1 MET CA C 1 55.446 55.446 54.999 0.447 25627
9894 1 20 . 1 1 1 1 MET CB C 1 32.774 32.774 33.245 -0.471 25627
9895 1 20 . 1 1 1 1 MET H H 1 8.287 8.287 8.232 0.055 25627
9896 1 20 . 1 1 2 2 ALA N N 2 125.673 125.673 126.966 -1.293 25627
9897 1 20 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.349 0.018 25627
9898 1 20 . 1 1 2 2 ALA C C 2 177.821 177.821 176.629 1.192 25627
9899 1 20 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.666 -0.097 25627
9900 1 20 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.208 0.029 25627
9901 1 20 . 1 1 2 2 ALA H H 2 8.373 8.373 8.205 0.168 25627
9902 1 20 . 1 1 3 3 THR N N 3 113.038 113.038 115.025 -1.987 25627
9903 1 20 . 1 1 3 3 THR HA H 3 4.354 4.354 4.760 -0.406 25627
9904 1 20 . 1 1 3 3 THR C C 3 174.577 174.577 174.217 0.360 25627
9905 1 20 . 1 1 3 3 THR CA C 3 61.679 61.679 61.526 0.152 25627
9906 1 20 . 1 1 3 3 THR CB C 3 69.864 69.864 71.092 -1.228 25627
9907 1 20 . 1 1 3 3 THR H H 3 8.099 8.099 8.573 -0.474 25627
9908 1 20 . 1 1 4 4 SER N N 4 117.235 117.235 117.186 0.049 25627
9909 1 20 . 1 1 4 4 SER HA H 4 4.440 4.440 4.023 0.417 25627
9910 1 20 . 1 1 4 4 SER C C 4 173.887 173.887 173.496 0.391 25627
9911 1 20 . 1 1 4 4 SER CA C 4 58.314 58.314 60.340 -2.026 25627
9912 1 20 . 1 1 4 4 SER CB C 4 63.951 63.951 63.086 0.865 25627
9913 1 20 . 1 1 4 4 SER H H 4 8.238 8.238 8.826 -0.588 25627
9914 1 20 . 1 1 5 5 ASP N N 5 122.543 122.543 122.338 0.205 25627
9915 1 20 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.734 -0.151 25627
9916 1 20 . 1 1 5 5 ASP C C 5 175.690 175.690 175.168 0.522 25627
9917 1 20 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.365 0.781 25627
9918 1 20 . 1 1 5 5 ASP CB C 5 41.166 41.166 41.781 -0.615 25627
9919 1 20 . 1 1 5 5 ASP H H 5 8.321 8.321 8.411 -0.090 25627
9920 1 20 . 1 1 6 6 VAL N N 6 121.235 121.235 125.023 -3.788 25627
9921 1 20 . 1 1 6 6 VAL HA H 6 4.098 4.098 3.971 0.127 25627
9922 1 20 . 1 1 6 6 VAL C C 6 175.211 175.211 175.752 -0.541 25627
9923 1 20 . 1 1 6 6 VAL CA C 6 62.322 62.322 63.016 -0.694 25627
9924 1 20 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.306 0.275 25627
9925 1 20 . 1 1 6 6 VAL H H 6 7.942 7.942 8.256 -0.314 25627
9926 1 20 . 1 1 7 7 LYS N N 7 125.356 125.356 128.624 -3.268 25627
9927 1 20 . 1 1 7 7 LYS CA C 7 53.311 53.311 54.019 -0.708 25627
9928 1 20 . 1 1 7 7 LYS CB C 7 33.494 33.494 32.281 1.213 25627
9929 1 20 . 1 1 7 7 LYS H H 7 8.383 8.383 8.337 0.046 25627
9930 1 20 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.656 -0.697 25627
9931 1 20 . 1 1 8 8 PRO C C 8 176.346 176.346 176.198 0.148 25627
9932 1 20 . 1 1 8 8 PRO CA C 8 62.993 62.993 63.090 -0.097 25627
9933 1 20 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.399 -0.396 25627
9934 1 20 . 1 1 9 9 LYS N N 9 122.609 122.609 120.974 1.635 25627
9935 1 20 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.509 -0.222 25627
9936 1 20 . 1 1 9 9 LYS C C 9 177.164 177.164 176.833 0.331 25627
9937 1 20 . 1 1 9 9 LYS CA C 9 57.222 57.222 56.564 0.658 25627
9938 1 20 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.999 -0.037 25627
9939 1 20 . 1 1 9 9 LYS H H 9 9.393 9.393 8.465 0.928 25627
9940 1 20 . 1 1 10 10 SER N N 10 111.655 111.655 114.134 -2.479 25627
9941 1 20 . 1 1 10 10 SER HA H 10 4.563 4.563 4.775 -0.212 25627
9942 1 20 . 1 1 10 10 SER C C 10 171.697 171.697 172.187 -0.490 25627
9943 1 20 . 1 1 10 10 SER CA C 10 57.614 57.614 57.923 -0.310 25627
9944 1 20 . 1 1 10 10 SER CB C 10 64.687 64.687 66.181 -1.494 25627
9945 1 20 . 1 1 10 10 SER H H 10 7.846 7.846 7.826 0.020 25627
9946 1 20 . 1 1 11 11 ILE N N 11 121.054 121.054 120.418 0.636 25627
9947 1 20 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.880 -0.349 25627
9948 1 20 . 1 1 11 11 ILE C C 11 175.460 175.460 175.231 0.229 25627
9949 1 20 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.551 0.243 25627
9950 1 20 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.016 0.089 25627
9951 1 20 . 1 1 11 11 ILE H H 11 8.128 8.128 8.419 -0.291 25627
9952 1 20 . 1 1 12 12 SER N N 12 122.340 122.340 120.437 1.903 25627
9953 1 20 . 1 1 12 12 SER HA H 12 4.757 4.757 4.841 -0.084 25627
9954 1 20 . 1 1 12 12 SER C C 12 172.771 172.771 172.651 0.120 25627
9955 1 20 . 1 1 12 12 SER CA C 12 56.498 56.498 55.988 0.510 25627
9956 1 20 . 1 1 12 12 SER CB C 12 65.418 65.418 65.856 -0.438 25627
9957 1 20 . 1 1 12 12 SER H H 12 8.782 8.782 9.117 -0.335 25627
9958 1 20 . 1 1 13 13 ARG N N 13 119.603 119.603 120.029 -0.426 25627
9959 1 20 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.652 0.224 25627
9960 1 20 . 1 1 13 13 ARG C C 13 176.720 176.720 175.601 1.119 25627
9961 1 20 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.308 0.000 25627
9962 1 20 . 1 1 13 13 ARG CB C 13 31.754 31.754 32.008 -0.254 25627
9963 1 20 . 1 1 13 13 ARG H H 13 8.374 8.374 8.473 -0.099 25627
9964 1 20 . 1 1 14 14 ALA N N 14 127.004 127.004 126.564 0.440 25627
9965 1 20 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.326 -0.216 25627
9966 1 20 . 1 1 14 14 ALA C C 14 176.523 176.523 177.379 -0.856 25627
9967 1 20 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.330 0.212 25627
9968 1 20 . 1 1 14 14 ALA CB C 14 20.087 20.087 20.143 -0.056 25627
9969 1 20 . 1 1 14 14 ALA H H 14 8.725 8.725 8.315 0.410 25627
9970 1 20 . 1 1 15 15 LYS N N 15 117.157 117.157 119.752 -2.595 25627
9971 1 20 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.388 -0.016 25627
9972 1 20 . 1 1 15 15 LYS C C 15 176.383 176.383 176.988 -0.605 25627
9973 1 20 . 1 1 15 15 LYS CA C 15 56.626 56.626 56.773 -0.147 25627
9974 1 20 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.209 1.401 25627
9975 1 20 . 1 1 15 15 LYS H H 15 8.518 8.518 8.511 0.007 25627
9976 1 20 . 1 1 16 16 LYS N N 16 116.265 116.265 119.214 -2.949 25627
9977 1 20 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.461 0.114 25627
9978 1 20 . 1 1 16 16 LYS C C 16 174.584 174.584 174.855 -0.271 25627
9979 1 20 . 1 1 16 16 LYS CA C 16 54.694 54.694 55.314 -0.620 25627
9980 1 20 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.509 1.095 25627
9981 1 20 . 1 1 16 16 LYS H H 16 7.429 7.429 7.486 -0.057 25627
9982 1 20 . 1 1 17 17 TRP N N 17 123.638 123.638 125.192 -1.554 25627
9983 1 20 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.470 -0.685 25627
9984 1 20 . 1 1 17 17 TRP C C 17 174.781 174.781 174.909 -0.128 25627
9985 1 20 . 1 1 17 17 TRP CA C 17 61.877 61.877 59.487 2.390 25627
9986 1 20 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.706 -0.785 25627
9987 1 20 . 1 1 17 17 TRP H H 17 9.412 9.412 8.695 0.717 25627
9988 1 20 . 1 1 18 18 SER N N 18 119.926 119.926 118.882 1.044 25627
9989 1 20 . 1 1 18 18 SER HA H 18 3.831 3.831 4.060 -0.229 25627
9990 1 20 . 1 1 18 18 SER C C 18 172.100 172.100 174.104 -2.004 25627
9991 1 20 . 1 1 18 18 SER CA C 18 56.830 56.830 56.559 0.271 25627
9992 1 20 . 1 1 18 18 SER CB C 18 66.241 66.241 65.099 1.142 25627
9993 1 20 . 1 1 18 18 SER H H 18 6.081 6.081 7.690 -1.609 25627
9994 1 20 . 1 1 19 19 GLU N N 19 120.673 120.673 123.581 -2.908 25627
9995 1 20 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.916 -0.269 25627
9996 1 20 . 1 1 19 19 GLU C C 19 177.682 177.682 178.316 -0.634 25627
9997 1 20 . 1 1 19 19 GLU CA C 19 60.579 60.579 60.297 0.282 25627
9998 1 20 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.439 -0.816 25627
9999 1 20 . 1 1 19 19 GLU H H 19 9.355 9.355 8.789 0.566 25627
10000 1 20 . 1 1 20 20 GLU N N 20 117.979 117.979 118.420 -0.441 25627
10001 1 20 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.152 0.072 25627
10002 1 20 . 1 1 20 20 GLU C C 20 179.454 179.454 178.662 0.792 25627
10003 1 20 . 1 1 20 20 GLU CA C 20 59.251 59.251 59.227 0.024 25627
10004 1 20 . 1 1 20 20 GLU CB C 20 29.715 29.715 28.906 0.809 25627
10005 1 20 . 1 1 20 20 GLU H H 20 7.946 7.946 8.615 -0.669 25627
10006 1 20 . 1 1 21 21 ILE N N 21 121.560 121.560 120.152 1.408 25627
10007 1 20 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.935 -0.158 25627
10008 1 20 . 1 1 21 21 ILE C C 21 176.700 176.700 178.381 -1.681 25627
10009 1 20 . 1 1 21 21 ILE CA C 21 61.978 61.978 63.006 -1.028 25627
10010 1 20 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.555 -0.461 25627
10011 1 20 . 1 1 21 21 ILE H H 21 7.122 7.122 7.575 -0.453 25627
10012 1 20 . 1 1 22 22 GLU N N 22 121.372 121.372 120.668 0.704 25627
10013 1 20 . 1 1 22 22 GLU HA H 22 3.999 3.999 4.018 -0.019 25627
10014 1 20 . 1 1 22 22 GLU C C 22 178.416 178.416 179.019 -0.603 25627
10015 1 20 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.095 -1.077 25627
10016 1 20 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.451 -1.298 25627
10017 1 20 . 1 1 22 22 GLU H H 22 8.017 8.017 8.613 -0.596 25627
10018 1 20 . 1 1 23 23 ASN N N 23 114.717 114.717 118.112 -3.395 25627
10019 1 20 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.618 0.119 25627
10020 1 20 . 1 1 23 23 ASN C C 23 177.565 177.565 177.851 -0.286 25627
10021 1 20 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.498 -0.134 25627
10022 1 20 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.616 0.190 25627
10023 1 20 . 1 1 23 23 ASN H H 23 7.352 7.352 7.788 -0.436 25627
10024 1 20 . 1 1 24 24 LEU N N 24 122.083 122.083 120.676 1.407 25627
10025 1 20 . 1 1 24 24 LEU HA H 24 4.403 4.403 4.003 0.400 25627
10026 1 20 . 1 1 24 24 LEU C C 24 178.487 178.487 179.157 -0.670 25627
10027 1 20 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.232 1.265 25627
10028 1 20 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.916 0.319 25627
10029 1 20 . 1 1 24 24 LEU H H 24 8.232 8.232 7.789 0.443 25627
10030 1 20 . 1 1 25 25 TYR N N 25 118.898 118.898 120.161 -1.263 25627
10031 1 20 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.134 -0.059 25627
10032 1 20 . 1 1 25 25 TYR C C 25 177.164 177.164 177.578 -0.414 25627
10033 1 20 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.467 0.074 25627
10034 1 20 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.336 -0.802 25627
10035 1 20 . 1 1 25 25 TYR H H 25 9.056 9.056 8.755 0.301 25627
10036 1 20 . 1 1 26 26 ARG N N 26 119.000 119.000 118.732 0.268 25627
10037 1 20 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.510 -0.152 25627
10038 1 20 . 1 1 26 26 ARG C C 26 179.709 179.709 178.735 0.974 25627
10039 1 20 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.675 0.594 25627
10040 1 20 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.592 -0.998 25627
10041 1 20 . 1 1 26 26 ARG H H 26 7.672 7.672 8.178 -0.506 25627
10042 1 20 . 1 1 27 27 PHE N N 27 119.640 119.640 120.143 -0.503 25627
10043 1 20 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.133 -0.263 25627
10044 1 20 . 1 1 27 27 PHE C C 27 178.542 178.542 177.750 0.792 25627
10045 1 20 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.571 1.861 25627
10046 1 20 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.668 -0.708 25627
10047 1 20 . 1 1 27 27 PHE H H 27 8.497 8.497 8.773 -0.276 25627
10048 1 20 . 1 1 28 28 GLN N N 28 120.400 120.400 118.777 1.623 25627
10049 1 20 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.099 0.626 25627
10050 1 20 . 1 1 28 28 GLN C C 28 182.258 182.258 178.558 3.700 25627
10051 1 20 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.631 0.332 25627
10052 1 20 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.610 -1.849 25627
10053 1 20 . 1 1 28 28 GLN H H 28 8.995 8.995 8.548 0.447 25627
10054 1 20 . 1 1 29 29 GLN N N 29 122.649 122.649 117.309 5.340 25627
10055 1 20 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.902 0.054 25627
10056 1 20 . 1 1 29 29 GLN C C 29 177.046 177.046 177.882 -0.836 25627
10057 1 20 . 1 1 29 29 GLN CA C 29 58.229 58.229 57.815 0.414 25627
10058 1 20 . 1 1 29 29 GLN CB C 29 29.211 29.211 28.063 1.148 25627
10059 1 20 . 1 1 29 29 GLN H H 29 8.728 8.728 7.855 0.873 25627
10060 1 20 . 1 1 30 30 ALA N N 30 117.672 117.672 118.360 -0.688 25627
10061 1 20 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.979 0.150 25627
10062 1 20 . 1 1 30 30 ALA C C 30 175.371 175.371 177.025 -1.654 25627
10063 1 20 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.774 -0.562 25627
10064 1 20 . 1 1 30 30 ALA CB C 30 19.196 19.196 19.057 0.139 25627
10065 1 20 . 1 1 30 30 ALA H H 30 7.120 7.120 7.463 -0.343 25627
10066 1 20 . 1 1 31 31 GLY N N 31 103.200 103.200 103.322 -0.122 25627
10067 1 20 . 1 1 31 31 GLY C C 31 173.625 173.625 174.173 -0.548 25627
10068 1 20 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.624 0.684 25627
10069 1 20 . 1 1 31 31 GLY H H 31 7.474 7.474 7.411 0.063 25627
10070 1 20 . 1 1 32 32 TYR N N 32 121.303 121.303 120.326 0.977 25627
10071 1 20 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.826 0.111 25627
10072 1 20 . 1 1 32 32 TYR C C 32 174.419 174.419 176.062 -1.643 25627
10073 1 20 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.289 0.923 25627
10074 1 20 . 1 1 32 32 TYR CB C 32 42.414 42.414 39.983 2.431 25627
10075 1 20 . 1 1 32 32 TYR H H 32 8.403 8.403 7.777 0.626 25627
10076 1 20 . 1 1 33 33 ARG N N 33 118.245 118.245 120.638 -2.393 25627
10077 1 20 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.962 -0.011 25627
10078 1 20 . 1 1 33 33 ARG C C 33 175.618 175.618 174.832 0.786 25627
10079 1 20 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.165 3.409 25627
10080 1 20 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.269 1.716 25627
10081 1 20 . 1 1 33 33 ARG H H 33 9.571 9.571 8.768 0.803 25627
10082 1 20 . 1 1 34 34 ASP N N 34 105.630 105.630 114.508 -8.878 25627
10083 1 20 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.452 -0.629 25627
10084 1 20 . 1 1 34 34 ASP C C 34 174.754 174.754 175.944 -1.190 25627
10085 1 20 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.702 -0.437 25627
10086 1 20 . 1 1 34 34 ASP CB C 34 39.819 39.819 41.564 -1.745 25627
10087 1 20 . 1 1 34 34 ASP H H 34 6.995 6.995 7.518 -0.523 25627
10088 1 20 . 1 1 35 35 GLU N N 35 118.215 118.215 118.804 -0.589 25627
10089 1 20 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.657 -0.754 25627
10090 1 20 . 1 1 35 35 GLU C C 35 177.043 177.043 178.296 -1.253 25627
10091 1 20 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.097 -0.496 25627
10092 1 20 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.016 1.097 25627
10093 1 20 . 1 1 35 35 GLU H H 35 7.818 7.818 8.396 -0.578 25627
10094 1 20 . 1 1 36 36 ILE N N 36 118.404 118.404 120.960 -2.556 25627
10095 1 20 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.635 -0.214 25627
10096 1 20 . 1 1 36 36 ILE C C 36 179.143 179.143 178.074 1.069 25627
10097 1 20 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.263 -0.803 25627
10098 1 20 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.657 -1.155 25627
10099 1 20 . 1 1 36 36 ILE H H 36 6.833 6.833 7.521 -0.688 25627
10100 1 20 . 1 1 37 37 GLU N N 37 120.573 120.573 119.818 0.755 25627
10101 1 20 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.207 -0.201 25627
10102 1 20 . 1 1 37 37 GLU C C 37 178.417 178.417 178.334 0.083 25627
10103 1 20 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.658 0.766 25627
10104 1 20 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.314 0.584 25627
10105 1 20 . 1 1 37 37 GLU H H 37 8.463 8.463 7.972 0.491 25627
10106 1 20 . 1 1 38 38 TYR N N 38 117.942 117.942 120.858 -2.916 25627
10107 1 20 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.173 0.310 25627
10108 1 20 . 1 1 38 38 TYR C C 38 176.772 176.772 177.409 -0.637 25627
10109 1 20 . 1 1 38 38 TYR CA C 38 62.767 62.767 61.122 1.645 25627
10110 1 20 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.357 1.622 25627
10111 1 20 . 1 1 38 38 TYR H H 38 7.949 7.949 7.798 0.151 25627
10112 1 20 . 1 1 39 39 LYS N N 39 115.539 115.539 117.674 -2.135 25627
10113 1 20 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.556 0.092 25627
10114 1 20 . 1 1 39 39 LYS C C 39 179.543 179.543 179.127 0.416 25627
10115 1 20 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.781 0.866 25627
10116 1 20 . 1 1 39 39 LYS CB C 39 32.223 32.223 32.039 0.184 25627
10117 1 20 . 1 1 39 39 LYS H H 39 8.287 8.287 8.238 0.049 25627
10118 1 20 . 1 1 40 40 GLN N N 40 118.265 118.265 118.181 0.084 25627
10119 1 20 . 1 1 40 40 GLN HA H 40 4.011 4.011 3.949 0.062 25627
10120 1 20 . 1 1 40 40 GLN C C 40 178.263 178.263 177.834 0.429 25627
10121 1 20 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.628 0.125 25627
10122 1 20 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.668 -0.092 25627
10123 1 20 . 1 1 40 40 GLN H H 40 7.605 7.605 7.412 0.193 25627
10124 1 20 . 1 1 41 41 VAL N N 41 118.627 118.627 118.821 -0.194 25627
10125 1 20 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.672 0.090 25627
10126 1 20 . 1 1 41 41 VAL C C 41 178.092 178.092 177.694 0.398 25627
10127 1 20 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.616 0.093 25627
10128 1 20 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.612 1.030 25627
10129 1 20 . 1 1 41 41 VAL H H 41 8.470 8.470 7.809 0.661 25627
10130 1 20 . 1 1 42 42 LYS N N 42 115.117 115.117 116.127 -1.010 25627
10131 1 20 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.320 -0.070 25627
10132 1 20 . 1 1 42 42 LYS C C 42 176.102 176.102 175.898 0.204 25627
10133 1 20 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.906 -1.005 25627
10134 1 20 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.537 -1.372 25627
10135 1 20 . 1 1 42 42 LYS H H 42 8.263 8.263 7.542 0.721 25627
10136 1 20 . 1 1 43 43 GLN N N 43 116.108 116.108 116.743 -0.635 25627
10137 1 20 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.965 0.003 25627
10138 1 20 . 1 1 43 43 GLN C C 43 175.125 175.125 175.505 -0.380 25627
10139 1 20 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.838 -0.283 25627
10140 1 20 . 1 1 43 43 GLN CB C 43 25.912 25.912 25.783 0.129 25627
10141 1 20 . 1 1 43 43 GLN H H 43 7.717 7.717 7.697 0.020 25627
10142 1 20 . 1 1 44 44 VAL N N 44 110.285 110.285 113.529 -3.244 25627
10143 1 20 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.365 0.193 25627
10144 1 20 . 1 1 44 44 VAL C C 44 175.431 175.431 174.883 0.548 25627
10145 1 20 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.861 -0.621 25627
10146 1 20 . 1 1 44 44 VAL CB C 44 34.732 34.732 32.703 2.029 25627
10147 1 20 . 1 1 44 44 VAL H H 44 6.817 6.817 7.714 -0.897 25627
10148 1 20 . 1 1 45 45 ALA N N 45 123.422 123.422 120.639 2.783 25627
10149 1 20 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.665 -0.310 25627
10150 1 20 . 1 1 45 45 ALA C C 45 177.543 177.543 176.636 0.907 25627
10151 1 20 . 1 1 45 45 ALA CA C 45 52.821 52.821 53.021 -0.200 25627
10152 1 20 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.739 0.073 25627
10153 1 20 . 1 1 45 45 ALA H H 45 8.571 8.571 8.427 0.144 25627
10154 1 20 . 1 1 46 46 MET N N 46 114.808 114.808 115.127 -0.319 25627
10155 1 20 . 1 1 46 46 MET HA H 46 4.724 4.724 4.732 -0.009 25627
10156 1 20 . 1 1 46 46 MET C C 46 173.698 173.698 174.470 -0.772 25627
10157 1 20 . 1 1 46 46 MET CA C 46 54.230 54.230 55.002 -0.772 25627
10158 1 20 . 1 1 46 46 MET CB C 46 34.793 34.793 34.873 -0.081 25627
10159 1 20 . 1 1 46 46 MET H H 46 7.657 7.657 7.509 0.148 25627
10160 1 20 . 1 1 47 47 VAL N N 47 120.757 120.757 121.795 -1.038 25627
10161 1 20 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.396 -0.117 25627
10162 1 20 . 1 1 47 47 VAL C C 47 174.985 174.985 175.243 -0.258 25627
10163 1 20 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.563 -0.527 25627
10164 1 20 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.207 0.619 25627
10165 1 20 . 1 1 47 47 VAL H H 47 8.459 8.459 8.318 0.141 25627
10166 1 20 . 1 1 48 48 ASP N N 48 126.251 126.251 126.878 -0.627 25627
10167 1 20 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.641 -0.168 25627
10168 1 20 . 1 1 48 48 ASP C C 48 175.819 175.819 175.077 0.742 25627
10169 1 20 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.734 0.738 25627
10170 1 20 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.450 0.684 25627
10171 1 20 . 1 1 48 48 ASP H H 48 8.929 8.929 8.660 0.269 25627
10172 1 20 . 1 1 49 49 ARG N N 49 122.995 122.995 120.433 2.562 25627
10173 1 20 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.145 -0.386 25627
10174 1 20 . 1 1 49 49 ARG C C 49 176.363 176.363 175.064 1.299 25627
10175 1 20 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.383 0.231 25627
10176 1 20 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.630 -0.160 25627
10177 1 20 . 1 1 49 49 ARG H H 49 8.534 8.534 8.235 0.299 25627
10178 1 20 . 1 1 50 50 TRP N N 50 125.191 125.191 121.275 3.916 25627
10179 1 20 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.162 -0.498 25627
10180 1 20 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.306 0.289 25627
10181 1 20 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.245 -0.132 25627
10182 1 20 . 1 1 50 50 TRP H H 50 9.111 9.111 8.308 0.803 25627
10183 1 20 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.273 0.072 25627
10184 1 20 . 1 1 51 51 PRO C C 51 178.698 178.698 177.329 1.369 25627
10185 1 20 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.066 -0.492 25627
10186 1 20 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.046 0.117 25627
10187 1 20 . 1 1 52 52 GLU N N 52 116.570 116.570 118.809 -2.239 25627
10188 1 20 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.191 -0.221 25627
10189 1 20 . 1 1 52 52 GLU C C 52 178.031 178.031 177.845 0.186 25627
10190 1 20 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.812 1.946 25627
10191 1 20 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.300 0.314 25627
10192 1 20 . 1 1 52 52 GLU H H 52 9.951 9.951 8.906 1.045 25627
10193 1 20 . 1 1 53 53 THR N N 53 103.788 103.788 107.273 -3.485 25627
10194 1 20 . 1 1 53 53 THR HA H 53 4.135 4.135 4.336 -0.201 25627
10195 1 20 . 1 1 53 53 THR C C 53 175.731 175.731 175.157 0.574 25627
10196 1 20 . 1 1 53 53 THR CA C 53 60.427 60.427 61.999 -1.572 25627
10197 1 20 . 1 1 53 53 THR CB C 53 70.762 70.762 70.616 0.146 25627
10198 1 20 . 1 1 53 53 THR H H 53 7.120 7.120 7.649 -0.529 25627
10199 1 20 . 1 1 54 54 GLY N N 54 109.195 109.195 110.060 -0.865 25627
10200 1 20 . 1 1 54 54 GLY C C 54 174.593 174.593 173.926 0.667 25627
10201 1 20 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.469 0.279 25627
10202 1 20 . 1 1 54 54 GLY H H 54 8.227 8.227 8.157 0.070 25627
10203 1 20 . 1 1 55 55 TYR N N 55 119.038 119.038 118.219 0.819 25627
10204 1 20 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.705 1.000 25627
10205 1 20 . 1 1 55 55 TYR C C 55 177.556 177.556 176.438 1.118 25627
10206 1 20 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.095 -3.365 25627
10207 1 20 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.728 -0.987 25627
10208 1 20 . 1 1 55 55 TYR H H 55 7.353 7.353 7.345 0.008 25627
10209 1 20 . 1 1 56 56 VAL N N 56 120.089 120.089 120.524 -0.435 25627
10210 1 20 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.020 -0.407 25627
10211 1 20 . 1 1 56 56 VAL C C 56 174.564 174.564 176.796 -2.232 25627
10212 1 20 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.500 0.267 25627
10213 1 20 . 1 1 56 56 VAL CB C 56 32.767 32.767 30.774 1.992 25627
10214 1 20 . 1 1 56 56 VAL H H 56 8.252 8.252 9.071 -0.819 25627
10215 1 20 . 1 1 57 57 LYS N N 57 127.233 127.233 127.972 -0.739 25627
10216 1 20 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.698 -0.250 25627
10217 1 20 . 1 1 57 57 LYS C C 57 175.256 175.256 176.447 -1.191 25627
10218 1 20 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.437 -1.454 25627
10219 1 20 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.553 1.697 25627
10220 1 20 . 1 1 57 57 LYS H H 57 9.005 9.005 8.654 0.351 25627
10221 1 20 . 1 1 58 58 LYS N N 58 115.918 115.918 115.209 0.709 25627
10222 1 20 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.262 0.108 25627
10223 1 20 . 1 1 58 58 LYS C C 58 174.030 174.030 175.277 -1.247 25627
10224 1 20 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.161 -0.307 25627
10225 1 20 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.131 -0.308 25627
10226 1 20 . 1 1 58 58 LYS H H 58 6.921 6.921 7.737 -0.816 25627
10227 1 20 . 1 1 59 59 LEU N N 59 121.666 121.666 121.283 0.383 25627
10228 1 20 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.642 0.007 25627
10229 1 20 . 1 1 59 59 LEU C C 59 174.451 174.451 174.980 -0.529 25627
10230 1 20 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.236 -0.764 25627
10231 1 20 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.870 0.069 25627
10232 1 20 . 1 1 59 59 LEU H H 59 8.793 8.793 8.986 -0.193 25627
10233 1 20 . 1 1 60 60 GLN N N 60 121.710 121.710 123.394 -1.684 25627
10234 1 20 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.632 -0.196 25627
10235 1 20 . 1 1 60 60 GLN C C 60 176.636 176.636 175.833 0.803 25627
10236 1 20 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.613 -0.696 25627
10237 1 20 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.839 0.497 25627
10238 1 20 . 1 1 60 60 GLN H H 60 8.879 8.879 8.855 0.023 25627
10239 1 20 . 1 1 61 61 ARG N N 61 126.172 126.172 125.275 0.897 25627
10240 1 20 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.412 0.131 25627
10241 1 20 . 1 1 61 61 ARG C C 61 178.315 178.315 177.921 0.394 25627
10242 1 20 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.550 2.023 25627
10243 1 20 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.779 1.122 25627
10244 1 20 . 1 1 61 61 ARG H H 61 9.387 9.387 8.816 0.571 25627
10245 1 20 . 1 1 62 62 ARG N N 62 123.754 123.754 119.424 4.330 25627
10246 1 20 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.128 -0.260 25627
10247 1 20 . 1 1 62 62 ARG C C 62 176.508 176.508 176.417 0.091 25627
10248 1 20 . 1 1 62 62 ARG CA C 62 59.863 59.863 57.657 2.207 25627
10249 1 20 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.604 -0.140 25627
10250 1 20 . 1 1 62 62 ARG H H 62 9.385 9.385 8.167 1.218 25627
10251 1 20 . 1 1 63 63 ASP N N 63 116.155 116.155 117.640 -1.485 25627
10252 1 20 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.669 -0.238 25627
10253 1 20 . 1 1 63 63 ASP C C 63 176.163 176.163 175.410 0.753 25627
10254 1 20 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.598 -0.412 25627
10255 1 20 . 1 1 63 63 ASP CB C 63 39.756 39.756 39.933 -0.177 25627
10256 1 20 . 1 1 63 63 ASP H H 63 7.505 7.505 8.006 -0.501 25627
10257 1 20 . 1 1 64 64 ASN N N 64 110.183 110.183 114.422 -4.239 25627
10258 1 20 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.244 -0.157 25627
10259 1 20 . 1 1 64 64 ASN C C 64 175.432 175.432 173.441 1.991 25627
10260 1 20 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.619 0.811 25627
10261 1 20 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.368 -0.334 25627
10262 1 20 . 1 1 64 64 ASN H H 64 7.791 7.791 7.989 -0.198 25627
10263 1 20 . 1 1 65 65 THR N N 65 112.736 112.736 109.242 3.494 25627
10264 1 20 . 1 1 65 65 THR HA H 65 4.414 4.414 4.482 -0.068 25627
10265 1 20 . 1 1 65 65 THR C C 65 173.653 173.653 173.808 -0.155 25627
10266 1 20 . 1 1 65 65 THR CA C 65 62.342 62.342 59.850 2.492 25627
10267 1 20 . 1 1 65 65 THR CB C 65 70.946 70.946 71.489 -0.543 25627
10268 1 20 . 1 1 65 65 THR H H 65 7.921 7.921 7.053 0.868 25627
10269 1 20 . 1 1 66 66 PHE N N 66 118.850 118.850 125.070 -6.220 25627
10270 1 20 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.406 0.738 25627
10271 1 20 . 1 1 66 66 PHE C C 66 174.762 174.762 174.884 -0.122 25627
10272 1 20 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.908 -0.429 25627
10273 1 20 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.410 2.853 25627
10274 1 20 . 1 1 66 66 PHE H H 66 8.926 8.926 8.865 0.061 25627
10275 1 20 . 1 1 67 67 PHE N N 67 124.259 124.259 126.966 -2.707 25627
10276 1 20 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.620 0.044 25627
10277 1 20 . 1 1 67 67 PHE C C 67 173.553 173.553 173.317 0.236 25627
10278 1 20 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.250 -0.346 25627
10279 1 20 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.138 0.200 25627
10280 1 20 . 1 1 67 67 PHE H H 67 9.142 9.142 9.065 0.077 25627
10281 1 20 . 1 1 68 68 TYR N N 68 122.881 122.881 126.702 -3.821 25627
10282 1 20 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.600 0.271 25627
10283 1 20 . 1 1 68 68 TYR C C 68 174.835 174.835 175.351 -0.516 25627
10284 1 20 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.018 -0.625 25627
10285 1 20 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.549 1.640 25627
10286 1 20 . 1 1 68 68 TYR H H 68 8.064 8.064 7.918 0.146 25627
10287 1 20 . 1 1 69 69 TYR N N 69 118.675 118.675 122.983 -4.308 25627
10288 1 20 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.813 0.212 25627
10289 1 20 . 1 1 69 69 TYR C C 69 177.181 177.181 175.884 1.297 25627
10290 1 20 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.411 -0.499 25627
10291 1 20 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.855 1.568 25627
10292 1 20 . 1 1 69 69 TYR H H 69 8.384 8.384 8.395 -0.011 25627
10293 1 20 . 1 1 70 70 ASN N N 70 122.917 122.917 120.061 2.856 25627
10294 1 20 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.799 -0.004 25627
10295 1 20 . 1 1 70 70 ASN C C 70 175.433 175.433 176.030 -0.597 25627
10296 1 20 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.943 0.416 25627
10297 1 20 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.177 0.200 25627
10298 1 20 . 1 1 70 70 ASN H H 70 9.832 9.832 8.909 0.923 25627
10299 1 20 . 1 1 71 71 LYS N N 71 123.116 123.116 126.092 -2.976 25627
10300 1 20 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.381 -2.142 25627
10301 1 20 . 1 1 71 71 LYS C C 71 175.495 175.495 177.693 -2.198 25627
10302 1 20 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.828 -0.407 25627
10303 1 20 . 1 1 71 71 LYS CB C 71 32.077 32.077 31.985 0.092 25627
10304 1 20 . 1 1 71 71 LYS H H 71 8.047 8.047 8.709 -0.662 25627
10305 1 20 . 1 1 72 72 GLU N N 72 113.242 113.242 117.809 -4.567 25627
10306 1 20 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.312 0.065 25627
10307 1 20 . 1 1 72 72 GLU C C 72 175.018 175.018 176.017 -0.999 25627
10308 1 20 . 1 1 72 72 GLU CA C 72 54.807 54.807 56.516 -1.709 25627
10309 1 20 . 1 1 72 72 GLU CB C 72 30.432 30.432 30.284 0.148 25627
10310 1 20 . 1 1 72 72 GLU H H 72 7.335 7.335 8.319 -0.984 25627
10311 1 20 . 1 1 73 73 ARG N N 73 118.120 118.120 117.439 0.681 25627
10312 1 20 . 1 1 73 73 ARG HA H 73 3.354 3.354 4.328 -0.974 25627
10313 1 20 . 1 1 73 73 ARG C C 73 175.859 175.859 174.310 1.549 25627
10314 1 20 . 1 1 73 73 ARG CA C 73 57.674 57.674 56.452 1.222 25627
10315 1 20 . 1 1 73 73 ARG CB C 73 31.134 31.134 29.243 1.891 25627
10316 1 20 . 1 1 73 73 ARG H H 73 8.174 8.174 7.326 0.848 25627
10317 1 20 . 1 1 74 74 GLU N N 74 127.360 127.360 123.550 3.810 25627
10318 1 20 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.313 0.180 25627
10319 1 20 . 1 1 74 74 GLU C C 74 176.415 176.415 175.253 1.162 25627
10320 1 20 . 1 1 74 74 GLU CA C 74 57.061 57.061 56.525 0.536 25627
10321 1 20 . 1 1 74 74 GLU CB C 74 33.462 33.462 30.803 2.659 25627
10322 1 20 . 1 1 74 74 GLU H H 74 10.788 10.788 8.744 2.044 25627
10323 1 20 . 1 1 75 75 CYS N N 75 123.441 123.441 119.473 3.968 25627
10324 1 20 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.508 -1.032 25627
10325 1 20 . 1 1 75 75 CYS C C 75 174.198 174.198 174.909 -0.711 25627
10326 1 20 . 1 1 75 75 CYS CA C 75 59.022 59.022 59.252 -0.230 25627
10327 1 20 . 1 1 75 75 CYS CB C 75 26.222 26.222 27.061 -0.838 25627
10328 1 20 . 1 1 75 75 CYS H H 75 9.198 9.198 8.045 1.153 25627
10329 1 20 . 1 1 76 76 GLU N N 76 131.177 131.177 125.321 5.856 25627
10330 1 20 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.287 -0.292 25627
10331 1 20 . 1 1 76 76 GLU C C 76 177.122 177.122 177.132 -0.010 25627
10332 1 20 . 1 1 76 76 GLU CA C 76 56.816 56.816 55.396 1.420 25627
10333 1 20 . 1 1 76 76 GLU CB C 76 30.668 30.668 31.419 -0.751 25627
10334 1 20 . 1 1 76 76 GLU H H 76 8.452 8.452 8.395 0.057 25627
10335 1 20 . 1 1 77 77 ASP N N 77 123.154 123.154 123.050 0.104 25627
10336 1 20 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.323 0.013 25627
10337 1 20 . 1 1 77 77 ASP C C 77 179.545 179.545 177.653 1.892 25627
10338 1 20 . 1 1 77 77 ASP CA C 77 58.610 58.610 58.168 0.442 25627
10339 1 20 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.459 -0.510 25627
10340 1 20 . 1 1 77 77 ASP H H 77 9.067 9.067 8.858 0.209 25627
10341 1 20 . 1 1 78 78 LYS N N 78 116.055 116.055 117.216 -1.161 25627
10342 1 20 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.075 0.223 25627
10343 1 20 . 1 1 78 78 LYS C C 78 176.146 176.146 178.838 -2.692 25627
10344 1 20 . 1 1 78 78 LYS CA C 78 58.484 58.484 58.834 -0.350 25627
10345 1 20 . 1 1 78 78 LYS CB C 78 31.840 31.840 31.807 0.033 25627
10346 1 20 . 1 1 78 78 LYS H H 78 8.664 8.664 8.406 0.258 25627
10347 1 20 . 1 1 79 79 GLU N N 79 117.481 117.481 119.908 -2.427 25627
10348 1 20 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.150 0.297 25627
10349 1 20 . 1 1 79 79 GLU C C 79 177.666 177.666 178.658 -0.992 25627
10350 1 20 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.651 -3.046 25627
10351 1 20 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.889 1.099 25627
10352 1 20 . 1 1 79 79 GLU H H 79 7.735 7.735 8.244 -0.509 25627
10353 1 20 . 1 1 80 80 VAL N N 80 121.192 121.192 120.158 1.034 25627
10354 1 20 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.653 -0.410 25627
10355 1 20 . 1 1 80 80 VAL C C 80 176.731 176.731 178.074 -1.343 25627
10356 1 20 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.266 0.609 25627
10357 1 20 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.411 0.762 25627
10358 1 20 . 1 1 80 80 VAL H H 80 7.274 7.274 7.688 -0.414 25627
10359 1 20 . 1 1 81 81 HIS N N 81 112.861 112.861 117.715 -4.854 25627
10360 1 20 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.260 0.388 25627
10361 1 20 . 1 1 81 81 HIS C C 81 175.330 175.330 176.709 -1.379 25627
10362 1 20 . 1 1 81 81 HIS CA C 81 57.747 57.747 58.937 -1.190 25627
10363 1 20 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.016 -0.836 25627
10364 1 20 . 1 1 81 81 HIS H H 81 8.157 8.157 7.558 0.599 25627
10365 1 20 . 1 1 82 82 LYS N N 82 117.850 117.850 116.524 1.326 25627
10366 1 20 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.038 -0.027 25627
10367 1 20 . 1 1 82 82 LYS C C 82 177.430 177.430 177.331 0.099 25627
10368 1 20 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.485 -0.894 25627
10369 1 20 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.865 0.218 25627
10370 1 20 . 1 1 82 82 LYS H H 82 7.264 7.264 7.538 -0.274 25627
10371 1 20 . 1 1 83 83 VAL N N 83 123.619 123.619 120.004 3.615 25627
10372 1 20 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.000 -0.120 25627
10373 1 20 . 1 1 83 83 VAL C C 83 175.239 175.239 174.767 0.472 25627
10374 1 20 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.468 1.344 25627
10375 1 20 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.188 -0.640 25627
10376 1 20 . 1 1 83 83 VAL H H 83 8.126 8.126 8.072 0.054 25627
10377 1 20 . 1 1 84 84 LYS N N 84 128.994 128.994 125.532 3.462 25627
10378 1 20 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.889 -0.436 25627
10379 1 20 . 1 1 84 84 LYS C C 84 174.399 174.399 175.521 -1.122 25627
10380 1 20 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.500 1.317 25627
10381 1 20 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.957 -0.851 25627
10382 1 20 . 1 1 84 84 LYS H H 84 9.031 9.031 8.391 0.640 25627
10383 1 20 . 1 1 85 85 VAL N N 85 120.723 120.723 122.681 -1.958 25627
10384 1 20 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.540 -0.510 25627
10385 1 20 . 1 1 85 85 VAL C C 85 175.482 175.482 174.615 0.867 25627
10386 1 20 . 1 1 85 85 VAL CA C 85 61.642 61.642 61.385 0.257 25627
10387 1 20 . 1 1 85 85 VAL CB C 85 32.488 32.488 33.806 -1.318 25627
10388 1 20 . 1 1 85 85 VAL H H 85 8.299 8.299 9.160 -0.861 25627
10389 1 20 . 1 1 86 86 TYR N N 86 126.214 126.214 128.398 -2.184 25627
10390 1 20 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.894 -0.168 25627
10391 1 20 . 1 1 86 86 TYR C C 86 175.214 175.214 174.811 0.403 25627
10392 1 20 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.673 2.867 25627
10393 1 20 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.123 1.929 25627
10394 1 20 . 1 1 86 86 TYR H H 86 8.077 8.077 8.850 -0.773 25627
10395 1 20 . 1 1 87 87 VAL N N 87 123.680 123.680 120.978 2.702 25627
10396 1 20 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.119 0.077 25627
10397 1 20 . 1 1 87 87 VAL C C 87 174.322 174.322 174.137 0.185 25627
10398 1 20 . 1 1 87 87 VAL CA C 87 61.901 61.901 60.275 1.626 25627
10399 1 20 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.642 0.137 25627
10400 1 20 . 1 1 87 87 VAL H H 87 8.133 8.133 8.755 -0.622 25627
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 86 2.641 0.516 2.605 25627
2 1 1 "Average Difference" HA 90 0.390 0.079 0.384 25627
3 1 1 "Average Difference" C 86 1.034 0.040 1.040 25627
4 1 1 "Average Difference" CA 89 1.177 -0.123 1.178 25627
5 1 1 "Average Difference" CB 87 1.066 -0.161 1.060 25627
6 1 1 "Average Difference" HN 86 0.632 -0.077 0.631 25627
7 1 2 "Average Difference" N 86 2.764 0.653 2.701 25627
8 1 2 "Average Difference" HA 90 0.393 0.068 0.389 25627
9 1 2 "Average Difference" C 86 1.057 0.019 1.063 25627
10 1 2 "Average Difference" CA 89 1.172 -0.145 1.170 25627
11 1 2 "Average Difference" CB 87 1.173 -0.173 1.167 25627
12 1 2 "Average Difference" HN 86 0.651 -0.044 0.654 25627
13 1 3 "Average Difference" N 86 2.743 0.502 2.712 25627
14 1 3 "Average Difference" HA 90 0.396 0.098 0.385 25627
15 1 3 "Average Difference" C 86 1.031 -0.089 1.033 25627
16 1 3 "Average Difference" CA 89 1.243 -0.184 1.236 25627
17 1 3 "Average Difference" CB 87 1.201 -0.093 1.204 25627
18 1 3 "Average Difference" HN 86 0.659 -0.062 0.660 25627
19 1 4 "Average Difference" N 86 2.838 0.624 2.785 25627
20 1 4 "Average Difference" HA 90 0.405 0.112 0.392 25627
21 1 4 "Average Difference" C 86 1.043 -0.052 1.048 25627
22 1 4 "Average Difference" CA 89 1.206 -0.105 1.208 25627
23 1 4 "Average Difference" CB 87 1.252 -0.107 1.254 25627
24 1 4 "Average Difference" HN 86 0.619 -0.064 0.619 25627
25 1 5 "Average Difference" N 86 2.706 0.521 2.671 25627
26 1 5 "Average Difference" HA 90 0.402 0.086 0.395 25627
27 1 5 "Average Difference" C 86 1.013 -0.011 1.019 25627
28 1 5 "Average Difference" CA 89 1.238 -0.154 1.235 25627
29 1 5 "Average Difference" CB 87 1.103 -0.082 1.106 25627
30 1 5 "Average Difference" HN 86 0.621 -0.066 0.621 25627
31 1 6 "Average Difference" N 86 2.577 0.570 2.528 25627
32 1 6 "Average Difference" HA 90 0.397 0.082 0.391 25627
33 1 6 "Average Difference" C 86 1.044 -0.031 1.050 25627
34 1 6 "Average Difference" CA 89 1.208 -0.172 1.202 25627
35 1 6 "Average Difference" CB 87 1.041 -0.170 1.033 25627
36 1 6 "Average Difference" HN 86 0.624 -0.051 0.626 25627
37 1 7 "Average Difference" N 86 3.042 0.446 3.026 25627
38 1 7 "Average Difference" HA 90 0.420 0.069 0.417 25627
39 1 7 "Average Difference" C 86 1.064 -0.042 1.070 25627
40 1 7 "Average Difference" CA 89 1.272 -0.154 1.270 25627
41 1 7 "Average Difference" CB 87 1.212 -0.125 1.213 25627
42 1 7 "Average Difference" HN 86 0.582 -0.079 0.580 25627
43 1 8 "Average Difference" N 86 2.929 0.622 2.879 25627
44 1 8 "Average Difference" HA 90 0.414 0.084 0.408 25627
45 1 8 "Average Difference" C 86 1.039 0.050 1.044 25627
46 1 8 "Average Difference" CA 89 1.283 -0.205 1.273 25627
47 1 8 "Average Difference" CB 87 1.237 -0.140 1.236 25627
48 1 8 "Average Difference" HN 86 0.647 -0.030 0.651 25627
49 1 9 "Average Difference" N 86 2.815 0.339 2.811 25627
50 1 9 "Average Difference" HA 90 0.401 0.078 0.395 25627
51 1 9 "Average Difference" C 86 1.051 -0.031 1.057 25627
52 1 9 "Average Difference" CA 89 1.283 -0.202 1.274 25627
53 1 9 "Average Difference" CB 87 1.162 -0.104 1.164 25627
54 1 9 "Average Difference" HN 86 0.629 -0.058 0.630 25627
55 1 10 "Average Difference" N 86 2.849 0.510 2.820 25627
56 1 10 "Average Difference" HA 90 0.421 0.079 0.416 25627
57 1 10 "Average Difference" C 86 1.050 0.002 1.056 25627
58 1 10 "Average Difference" CA 89 1.211 -0.142 1.209 25627
59 1 10 "Average Difference" CB 87 1.141 -0.198 1.130 25627
60 1 10 "Average Difference" HN 86 0.681 0.003 0.685 25627
61 1 11 "Average Difference" N 86 2.707 0.359 2.699 25627
62 1 11 "Average Difference" HA 90 0.398 0.067 0.394 25627
63 1 11 "Average Difference" C 86 1.038 -0.048 1.043 25627
64 1 11 "Average Difference" CA 89 1.346 -0.121 1.348 25627
65 1 11 "Average Difference" CB 87 1.146 -0.192 1.137 25627
66 1 11 "Average Difference" HN 86 0.623 -0.072 0.622 25627
67 1 12 "Average Difference" N 86 2.702 0.368 2.692 25627
68 1 12 "Average Difference" HA 90 0.444 0.110 0.432 25627
69 1 12 "Average Difference" C 86 1.066 -0.046 1.071 25627
70 1 12 "Average Difference" CA 89 1.287 -0.255 1.269 25627
71 1 12 "Average Difference" CB 87 1.258 -0.196 1.250 25627
72 1 12 "Average Difference" HN 86 0.627 -0.047 0.629 25627
73 1 13 "Average Difference" N 86 2.725 0.468 2.701 25627
74 1 13 "Average Difference" HA 90 0.415 0.089 0.407 25627
75 1 13 "Average Difference" C 86 1.021 -0.022 1.027 25627
76 1 13 "Average Difference" CA 89 1.368 -0.096 1.372 25627
77 1 13 "Average Difference" CB 87 1.335 -0.128 1.336 25627
78 1 13 "Average Difference" HN 86 0.637 -0.042 0.639 25627
79 1 14 "Average Difference" N 86 2.918 0.714 2.846 25627
80 1 14 "Average Difference" HA 90 0.410 0.065 0.407 25627
81 1 14 "Average Difference" C 86 0.995 -0.029 1.000 25627
82 1 14 "Average Difference" CA 89 1.229 -0.092 1.233 25627
83 1 14 "Average Difference" CB 87 1.198 -0.153 1.195 25627
84 1 14 "Average Difference" HN 86 0.606 -0.050 0.608 25627
85 1 15 "Average Difference" N 86 3.102 0.626 3.056 25627
86 1 15 "Average Difference" HA 90 0.422 0.077 0.417 25627
87 1 15 "Average Difference" C 86 1.057 -0.022 1.063 25627
88 1 15 "Average Difference" CA 89 1.403 -0.191 1.398 25627
89 1 15 "Average Difference" CB 87 1.245 -0.128 1.245 25627
90 1 15 "Average Difference" HN 86 0.637 -0.022 0.640 25627
91 1 16 "Average Difference" N 86 2.900 0.566 2.861 25627
92 1 16 "Average Difference" HA 90 0.398 0.081 0.391 25627
93 1 16 "Average Difference" C 86 1.024 0.006 1.029 25627
94 1 16 "Average Difference" CA 89 1.373 -0.115 1.376 25627
95 1 16 "Average Difference" CB 87 1.278 -0.114 1.280 25627
96 1 16 "Average Difference" HN 86 0.636 -0.053 0.637 25627
97 1 17 "Average Difference" N 86 2.932 0.705 2.862 25627
98 1 17 "Average Difference" HA 90 0.429 0.095 0.420 25627
99 1 17 "Average Difference" C 86 1.085 0.008 1.091 25627
100 1 17 "Average Difference" CA 89 1.317 -0.223 1.305 25627
101 1 17 "Average Difference" CB 87 1.266 -0.189 1.259 25627
102 1 17 "Average Difference" HN 86 0.668 -0.052 0.669 25627
103 1 18 "Average Difference" N 86 2.971 0.597 2.927 25627
104 1 18 "Average Difference" HA 90 0.408 0.079 0.403 25627
105 1 18 "Average Difference" C 86 1.020 -0.057 1.025 25627
106 1 18 "Average Difference" CA 89 1.301 -0.174 1.297 25627
107 1 18 "Average Difference" CB 87 1.278 -0.135 1.278 25627
108 1 18 "Average Difference" HN 86 0.643 -0.029 0.646 25627
109 1 19 "Average Difference" N 86 2.839 0.799 2.740 25627
110 1 19 "Average Difference" HA 90 0.401 0.080 0.395 25627
111 1 19 "Average Difference" C 86 1.005 0.081 1.007 25627
112 1 19 "Average Difference" CA 89 1.160 -0.143 1.158 25627
113 1 19 "Average Difference" CB 87 1.051 -0.216 1.034 25627
114 1 19 "Average Difference" HN 86 0.587 -0.062 0.588 25627
115 1 20 "Average Difference" N 86 2.687 0.517 2.652 25627
116 1 20 "Average Difference" HA 90 0.405 0.090 0.397 25627
117 1 20 "Average Difference" C 86 1.060 0.005 1.066 25627
118 1 20 "Average Difference" CA 89 1.160 -0.091 1.163 25627
119 1 20 "Average Difference" CB 87 1.049 -0.191 1.038 25627
120 1 20 "Average Difference" HN 86 0.597 -0.043 0.599 25627
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 25627
_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 HIS HA H -1 4.130 4.130 4.577 -0.447 25627
2 1 . 1 1 -1 -1 HIS CA C -1 54.849 54.849 56.606 -1.757 25627
3 1 . 1 1 -1 -1 HIS CB C -1 31.673 31.673 30.205 1.468 25627
4 1 . 1 1 0 0 MET N N 0 120.413 120.413 120.250 0.163 25627
5 1 . 1 1 0 0 MET HA H 0 4.350 4.350 4.523 -0.173 25627
6 1 . 1 1 0 0 MET C C 0 175.829 175.829 175.129 0.700 25627
7 1 . 1 1 0 0 MET CA C 0 55.134 55.134 55.385 -0.251 25627
8 1 . 1 1 0 0 MET CB C 0 32.391 32.391 33.691 -1.300 25627
9 1 . 1 1 0 0 MET H H 0 8.332 8.332 8.121 0.211 25627
10 1 . 1 1 1 1 MET N N 1 121.120 121.120 120.724 0.396 25627
11 1 . 1 1 1 1 MET HA H 1 4.443 4.443 4.637 -0.194 25627
12 1 . 1 1 1 1 MET C C 1 175.772 175.772 175.161 0.611 25627
13 1 . 1 1 1 1 MET CA C 1 55.446 55.446 54.646 0.800 25627
14 1 . 1 1 1 1 MET CB C 1 32.774 32.774 34.159 -1.385 25627
15 1 . 1 1 1 1 MET H H 1 8.287 8.287 8.074 0.213 25627
16 1 . 1 1 2 2 ALA N N 2 125.673 125.673 126.341 -0.668 25627
17 1 . 1 1 2 2 ALA HA H 2 4.367 4.367 4.387 -0.020 25627
18 1 . 1 1 2 2 ALA C C 2 177.821 177.821 177.728 0.093 25627
19 1 . 1 1 2 2 ALA CA C 2 52.568 52.568 52.430 0.138 25627
20 1 . 1 1 2 2 ALA CB C 2 19.237 19.237 19.301 -0.064 25627
21 1 . 1 1 2 2 ALA H H 2 8.373 8.373 8.442 -0.069 25627
22 1 . 1 1 3 3 THR N N 3 113.038 113.038 114.389 -1.351 25627
23 1 . 1 1 3 3 THR HA H 3 4.354 4.354 4.168 0.186 25627
24 1 . 1 1 3 3 THR C C 3 174.577 174.577 174.691 -0.114 25627
25 1 . 1 1 3 3 THR CA C 3 61.679 61.679 63.059 -1.380 25627
26 1 . 1 1 3 3 THR CB C 3 69.864 69.864 68.851 1.013 25627
27 1 . 1 1 3 3 THR H H 3 8.099 8.099 8.303 -0.204 25627
28 1 . 1 1 4 4 SER N N 4 117.235 117.235 116.715 0.520 25627
29 1 . 1 1 4 4 SER HA H 4 4.440 4.440 4.421 0.019 25627
30 1 . 1 1 4 4 SER C C 4 173.887 173.887 173.611 0.276 25627
31 1 . 1 1 4 4 SER CA C 4 58.314 58.314 58.928 -0.614 25627
32 1 . 1 1 4 4 SER CB C 4 63.951 63.951 63.667 0.285 25627
33 1 . 1 1 4 4 SER H H 4 8.238 8.238 8.184 0.054 25627
34 1 . 1 1 5 5 ASP N N 5 122.543 122.543 121.279 1.264 25627
35 1 . 1 1 5 5 ASP HA H 5 4.583 4.583 4.679 -0.096 25627
36 1 . 1 1 5 5 ASP C C 5 175.690 175.690 175.192 0.498 25627
37 1 . 1 1 5 5 ASP CA C 5 54.146 54.146 53.859 0.287 25627
38 1 . 1 1 5 5 ASP CB C 5 41.166 41.166 41.423 -0.257 25627
39 1 . 1 1 5 5 ASP H H 5 8.321 8.321 8.094 0.227 25627
40 1 . 1 1 6 6 VAL N N 6 121.235 121.235 122.270 -1.035 25627
41 1 . 1 1 6 6 VAL HA H 6 4.098 4.098 4.181 -0.083 25627
42 1 . 1 1 6 6 VAL C C 6 175.211 175.211 175.629 -0.418 25627
43 1 . 1 1 6 6 VAL CA C 6 62.322 62.322 62.096 0.226 25627
44 1 . 1 1 6 6 VAL CB C 6 32.581 32.581 32.696 -0.115 25627
45 1 . 1 1 6 6 VAL H H 6 7.942 7.942 8.193 -0.251 25627
46 1 . 1 1 7 7 LYS N N 7 125.356 125.356 128.883 -3.527 25627
47 1 . 1 1 7 7 LYS CA C 7 53.311 53.311 53.884 -0.573 25627
48 1 . 1 1 7 7 LYS CB C 7 33.494 33.494 32.031 1.463 25627
49 1 . 1 1 7 7 LYS H H 7 8.383 8.383 8.428 -0.045 25627
50 1 . 1 1 8 8 PRO HA H 8 3.959 3.959 4.571 -0.612 25627
51 1 . 1 1 8 8 PRO C C 8 176.346 176.346 176.234 0.112 25627
52 1 . 1 1 8 8 PRO CA C 8 62.993 62.993 62.980 0.013 25627
53 1 . 1 1 8 8 PRO CB C 8 32.003 32.003 32.465 -0.462 25627
54 1 . 1 1 9 9 LYS N N 9 122.609 122.609 121.328 1.281 25627
55 1 . 1 1 9 9 LYS HA H 9 4.287 4.287 4.361 -0.074 25627
56 1 . 1 1 9 9 LYS C C 9 177.164 177.164 176.682 0.482 25627
57 1 . 1 1 9 9 LYS CA C 9 57.222 57.222 57.042 0.180 25627
58 1 . 1 1 9 9 LYS CB C 9 33.962 33.962 33.656 0.306 25627
59 1 . 1 1 9 9 LYS H H 9 9.393 9.393 8.597 0.796 25627
60 1 . 1 1 10 10 SER N N 10 111.655 111.655 112.888 -1.233 25627
61 1 . 1 1 10 10 SER HA H 10 4.563 4.563 4.711 -0.148 25627
62 1 . 1 1 10 10 SER C C 10 171.697 171.697 172.181 -0.484 25627
63 1 . 1 1 10 10 SER CA C 10 57.614 57.614 58.034 -0.420 25627
64 1 . 1 1 10 10 SER CB C 10 64.687 64.687 66.354 -1.667 25627
65 1 . 1 1 10 10 SER H H 10 7.846 7.846 7.817 0.030 25627
66 1 . 1 1 11 11 ILE N N 11 121.054 121.054 120.850 0.204 25627
67 1 . 1 1 11 11 ILE HA H 11 4.531 4.531 4.685 -0.154 25627
68 1 . 1 1 11 11 ILE C C 11 175.460 175.460 175.207 0.253 25627
69 1 . 1 1 11 11 ILE CA C 11 60.794 60.794 60.803 -0.009 25627
70 1 . 1 1 11 11 ILE CB C 11 41.105 41.105 41.155 -0.050 25627
71 1 . 1 1 11 11 ILE H H 11 8.128 8.128 8.445 -0.317 25627
72 1 . 1 1 12 12 SER N N 12 122.340 122.340 121.493 0.847 25627
73 1 . 1 1 12 12 SER HA H 12 4.757 4.757 4.900 -0.143 25627
74 1 . 1 1 12 12 SER C C 12 172.771 172.771 172.881 -0.110 25627
75 1 . 1 1 12 12 SER CA C 12 56.498 56.498 56.441 0.057 25627
76 1 . 1 1 12 12 SER CB C 12 65.418 65.418 65.622 -0.204 25627
77 1 . 1 1 12 12 SER H H 12 8.782 8.782 9.110 -0.328 25627
78 1 . 1 1 13 13 ARG N N 13 119.603 119.603 120.490 -0.887 25627
79 1 . 1 1 13 13 ARG HA H 13 4.876 4.876 4.560 0.316 25627
80 1 . 1 1 13 13 ARG C C 13 176.720 176.720 175.790 0.930 25627
81 1 . 1 1 13 13 ARG CA C 13 54.308 54.308 54.689 -0.381 25627
82 1 . 1 1 13 13 ARG CB C 13 31.754 31.754 31.722 0.032 25627
83 1 . 1 1 13 13 ARG H H 13 8.374 8.374 8.521 -0.147 25627
84 1 . 1 1 14 14 ALA N N 14 127.004 127.004 127.689 -0.685 25627
85 1 . 1 1 14 14 ALA HA H 14 4.110 4.110 4.270 -0.160 25627
86 1 . 1 1 14 14 ALA C C 14 176.523 176.523 176.924 -0.401 25627
87 1 . 1 1 14 14 ALA CA C 14 52.542 52.542 52.397 0.145 25627
88 1 . 1 1 14 14 ALA CB C 14 20.087 20.087 19.874 0.213 25627
89 1 . 1 1 14 14 ALA H H 14 8.725 8.725 8.405 0.320 25627
90 1 . 1 1 15 15 LYS N N 15 117.157 117.157 120.222 -3.065 25627
91 1 . 1 1 15 15 LYS HA H 15 4.372 4.372 4.295 0.077 25627
92 1 . 1 1 15 15 LYS C C 15 176.383 176.383 176.661 -0.278 25627
93 1 . 1 1 15 15 LYS CA C 15 56.626 56.626 57.212 -0.586 25627
94 1 . 1 1 15 15 LYS CB C 15 34.610 34.610 33.019 1.591 25627
95 1 . 1 1 15 15 LYS H H 15 8.518 8.518 8.564 -0.046 25627
96 1 . 1 1 16 16 LYS N N 16 116.265 116.265 117.940 -1.675 25627
97 1 . 1 1 16 16 LYS HA H 16 4.575 4.575 4.484 0.091 25627
98 1 . 1 1 16 16 LYS C C 16 174.584 174.584 174.629 -0.045 25627
99 1 . 1 1 16 16 LYS CA C 16 54.694 54.694 54.895 -0.201 25627
100 1 . 1 1 16 16 LYS CB C 16 35.604 35.604 34.591 1.013 25627
101 1 . 1 1 16 16 LYS H H 16 7.429 7.429 7.513 -0.084 25627
102 1 . 1 1 17 17 TRP N N 17 123.638 123.638 123.261 0.377 25627
103 1 . 1 1 17 17 TRP HA H 17 3.785 3.785 4.612 -0.827 25627
104 1 . 1 1 17 17 TRP C C 17 174.781 174.781 174.842 -0.061 25627
105 1 . 1 1 17 17 TRP CA C 17 61.877 61.877 58.410 3.467 25627
106 1 . 1 1 17 17 TRP CB C 17 28.921 28.921 29.855 -0.934 25627
107 1 . 1 1 17 17 TRP H H 17 9.412 9.412 8.583 0.829 25627
108 1 . 1 1 18 18 SER N N 18 119.926 119.926 119.905 0.021 25627
109 1 . 1 1 18 18 SER HA H 18 3.831 3.831 3.950 -0.119 25627
110 1 . 1 1 18 18 SER C C 18 172.100 172.100 174.109 -2.009 25627
111 1 . 1 1 18 18 SER CA C 18 56.830 56.830 56.366 0.464 25627
112 1 . 1 1 18 18 SER CB C 18 66.241 66.241 65.904 0.337 25627
113 1 . 1 1 18 18 SER H H 18 6.081 6.081 7.687 -1.606 25627
114 1 . 1 1 19 19 GLU N N 19 120.673 120.673 123.365 -2.692 25627
115 1 . 1 1 19 19 GLU HA H 19 3.647 3.647 3.980 -0.333 25627
116 1 . 1 1 19 19 GLU C C 19 177.682 177.682 178.033 -0.351 25627
117 1 . 1 1 19 19 GLU CA C 19 60.579 60.579 59.765 0.814 25627
118 1 . 1 1 19 19 GLU CB C 19 28.623 28.623 29.429 -0.806 25627
119 1 . 1 1 19 19 GLU H H 19 9.355 9.355 8.726 0.629 25627
120 1 . 1 1 20 20 GLU N N 20 117.979 117.979 118.619 -0.640 25627
121 1 . 1 1 20 20 GLU HA H 20 4.224 4.224 4.092 0.132 25627
122 1 . 1 1 20 20 GLU C C 20 179.454 179.454 178.666 0.788 25627
123 1 . 1 1 20 20 GLU CA C 20 59.251 59.251 59.010 0.241 25627
124 1 . 1 1 20 20 GLU CB C 20 29.715 29.715 29.196 0.519 25627
125 1 . 1 1 20 20 GLU H H 20 7.946 7.946 8.094 -0.148 25627
126 1 . 1 1 21 21 ILE N N 21 121.560 121.560 120.147 1.413 25627
127 1 . 1 1 21 21 ILE HA H 21 3.777 3.777 3.865 -0.088 25627
128 1 . 1 1 21 21 ILE C C 21 176.700 176.700 178.065 -1.365 25627
129 1 . 1 1 21 21 ILE CA C 21 61.978 61.978 62.953 -0.975 25627
130 1 . 1 1 21 21 ILE CB C 21 36.094 36.094 36.588 -0.494 25627
131 1 . 1 1 21 21 ILE H H 21 7.122 7.122 7.854 -0.732 25627
132 1 . 1 1 22 22 GLU N N 22 121.372 121.372 120.716 0.656 25627
133 1 . 1 1 22 22 GLU HA H 22 3.999 3.999 3.986 0.013 25627
134 1 . 1 1 22 22 GLU C C 22 178.416 178.416 178.789 -0.373 25627
135 1 . 1 1 22 22 GLU CA C 22 59.018 59.018 60.106 -1.088 25627
136 1 . 1 1 22 22 GLU CB C 22 28.152 28.152 29.280 -1.128 25627
137 1 . 1 1 22 22 GLU H H 22 8.017 8.017 8.297 -0.280 25627
138 1 . 1 1 23 23 ASN N N 23 114.717 114.717 117.938 -3.221 25627
139 1 . 1 1 23 23 ASN HA H 23 4.737 4.737 4.582 0.155 25627
140 1 . 1 1 23 23 ASN C C 23 177.565 177.565 177.845 -0.280 25627
141 1 . 1 1 23 23 ASN CA C 23 56.364 56.364 56.399 -0.035 25627
142 1 . 1 1 23 23 ASN CB C 23 38.806 38.806 38.509 0.297 25627
143 1 . 1 1 23 23 ASN H H 23 7.352 7.352 7.832 -0.480 25627
144 1 . 1 1 24 24 LEU N N 24 122.083 122.083 120.878 1.205 25627
145 1 . 1 1 24 24 LEU HA H 24 4.403 4.403 3.985 0.417 25627
146 1 . 1 1 24 24 LEU C C 24 178.487 178.487 179.137 -0.650 25627
147 1 . 1 1 24 24 LEU CA C 24 59.497 59.497 58.155 1.342 25627
148 1 . 1 1 24 24 LEU CB C 24 42.235 42.235 41.654 0.581 25627
149 1 . 1 1 24 24 LEU H H 24 8.232 8.232 7.749 0.483 25627
150 1 . 1 1 25 25 TYR N N 25 118.898 118.898 120.139 -1.241 25627
151 1 . 1 1 25 25 TYR HA H 25 4.075 4.075 4.155 -0.080 25627
152 1 . 1 1 25 25 TYR C C 25 177.164 177.164 177.636 -0.471 25627
153 1 . 1 1 25 25 TYR CA C 25 61.541 61.541 61.326 0.215 25627
154 1 . 1 1 25 25 TYR CB C 25 37.534 37.534 38.279 -0.746 25627
155 1 . 1 1 25 25 TYR H H 25 9.056 9.056 8.769 0.287 25627
156 1 . 1 1 26 26 ARG N N 26 119.000 119.000 118.782 0.218 25627
157 1 . 1 1 26 26 ARG HA H 26 3.358 3.358 3.549 -0.191 25627
158 1 . 1 1 26 26 ARG C C 26 179.709 179.709 178.823 0.886 25627
159 1 . 1 1 26 26 ARG CA C 26 60.269 60.269 59.511 0.758 25627
160 1 . 1 1 26 26 ARG CB C 26 28.594 28.594 29.619 -1.025 25627
161 1 . 1 1 26 26 ARG H H 26 7.672 7.672 8.034 -0.362 25627
162 1 . 1 1 27 27 PHE N N 27 119.640 119.640 119.872 -0.232 25627
163 1 . 1 1 27 27 PHE HA H 27 3.870 3.870 4.109 -0.239 25627
164 1 . 1 1 27 27 PHE C C 27 178.542 178.542 177.912 0.630 25627
165 1 . 1 1 27 27 PHE CA C 27 64.432 64.432 62.289 2.143 25627
166 1 . 1 1 27 27 PHE CB C 27 37.960 37.960 38.653 -0.693 25627
167 1 . 1 1 27 27 PHE H H 27 8.497 8.497 8.804 -0.307 25627
168 1 . 1 1 28 28 GLN N N 28 120.400 120.400 118.810 1.590 25627
169 1 . 1 1 28 28 GLN HA H 28 4.725 4.725 4.064 0.661 25627
170 1 . 1 1 28 28 GLN C C 28 182.258 182.258 178.661 3.597 25627
171 1 . 1 1 28 28 GLN CA C 28 58.963 58.963 58.714 0.249 25627
172 1 . 1 1 28 28 GLN CB C 28 26.761 26.761 28.646 -1.885 25627
173 1 . 1 1 28 28 GLN H H 28 8.995 8.995 8.659 0.336 25627
174 1 . 1 1 29 29 GLN N N 29 122.649 122.649 117.725 4.924 25627
175 1 . 1 1 29 29 GLN HA H 29 3.956 3.956 3.887 0.069 25627
176 1 . 1 1 29 29 GLN C C 29 177.046 177.046 177.603 -0.557 25627
177 1 . 1 1 29 29 GLN CA C 29 58.229 58.229 58.012 0.217 25627
178 1 . 1 1 29 29 GLN CB C 29 29.211 29.211 27.983 1.228 25627
179 1 . 1 1 29 29 GLN H H 29 8.728 8.728 8.011 0.717 25627
180 1 . 1 1 30 30 ALA N N 30 117.672 117.672 117.805 -0.133 25627
181 1 . 1 1 30 30 ALA HA H 30 4.129 4.129 3.965 0.164 25627
182 1 . 1 1 30 30 ALA C C 30 175.371 175.371 176.878 -1.507 25627
183 1 . 1 1 30 30 ALA CA C 30 52.212 52.212 52.751 -0.539 25627
184 1 . 1 1 30 30 ALA CB C 30 19.196 19.196 19.007 0.189 25627
185 1 . 1 1 30 30 ALA H H 30 7.120 7.120 7.593 -0.473 25627
186 1 . 1 1 31 31 GLY N N 31 103.200 103.200 103.114 0.086 25627
187 1 . 1 1 31 31 GLY C C 31 173.625 173.625 173.789 -0.164 25627
188 1 . 1 1 31 31 GLY CA C 31 45.308 45.308 44.715 0.593 25627
189 1 . 1 1 31 31 GLY H H 31 7.474 7.474 7.571 -0.097 25627
190 1 . 1 1 32 32 TYR N N 32 121.303 121.303 120.089 1.214 25627
191 1 . 1 1 32 32 TYR HA H 32 4.937 4.937 4.849 0.088 25627
192 1 . 1 1 32 32 TYR C C 32 174.419 174.419 175.840 -1.421 25627
193 1 . 1 1 32 32 TYR CA C 32 56.212 56.212 55.335 0.877 25627
194 1 . 1 1 32 32 TYR CB C 32 42.414 42.414 40.011 2.403 25627
195 1 . 1 1 32 32 TYR H H 32 8.403 8.403 7.912 0.491 25627
196 1 . 1 1 33 33 ARG N N 33 118.245 118.245 119.534 -1.289 25627
197 1 . 1 1 33 33 ARG HA H 33 3.951 3.951 3.990 -0.039 25627
198 1 . 1 1 33 33 ARG C C 33 175.618 175.618 175.140 0.478 25627
199 1 . 1 1 33 33 ARG CA C 33 60.574 60.574 57.047 3.527 25627
200 1 . 1 1 33 33 ARG CB C 33 31.985 31.985 30.559 1.426 25627
201 1 . 1 1 33 33 ARG H H 33 9.571 9.571 8.685 0.886 25627
202 1 . 1 1 34 34 ASP N N 34 105.630 105.630 115.310 -9.680 25627
203 1 . 1 1 34 34 ASP HA H 34 3.823 3.823 4.329 -0.506 25627
204 1 . 1 1 34 34 ASP C C 34 174.754 174.754 175.816 -1.062 25627
205 1 . 1 1 34 34 ASP CA C 34 52.265 52.265 52.680 -0.415 25627
206 1 . 1 1 34 34 ASP CB C 34 39.819 39.819 42.247 -2.428 25627
207 1 . 1 1 34 34 ASP H H 34 6.995 6.995 7.686 -0.691 25627
208 1 . 1 1 35 35 GLU N N 35 118.215 118.215 119.481 -1.266 25627
209 1 . 1 1 35 35 GLU HA H 35 2.903 2.903 3.976 -1.073 25627
210 1 . 1 1 35 35 GLU C C 35 177.043 177.043 178.441 -1.398 25627
211 1 . 1 1 35 35 GLU CA C 35 58.601 58.601 59.687 -1.086 25627
212 1 . 1 1 35 35 GLU CB C 35 30.113 30.113 29.283 0.830 25627
213 1 . 1 1 35 35 GLU H H 35 7.818 7.818 8.407 -0.589 25627
214 1 . 1 1 36 36 ILE N N 36 118.404 118.404 119.734 -1.330 25627
215 1 . 1 1 36 36 ILE HA H 36 3.421 3.421 3.629 -0.208 25627
216 1 . 1 1 36 36 ILE C C 36 179.143 179.143 178.055 1.088 25627
217 1 . 1 1 36 36 ILE CA C 36 64.460 64.460 65.003 -0.543 25627
218 1 . 1 1 36 36 ILE CB C 36 36.502 36.502 37.315 -0.813 25627
219 1 . 1 1 36 36 ILE H H 36 6.833 6.833 7.926 -1.093 25627
220 1 . 1 1 37 37 GLU N N 37 120.573 120.573 119.756 0.817 25627
221 1 . 1 1 37 37 GLU HA H 37 4.006 4.006 4.030 -0.024 25627
222 1 . 1 1 37 37 GLU C C 37 178.417 178.417 178.496 -0.079 25627
223 1 . 1 1 37 37 GLU CA C 37 59.424 59.424 58.957 0.467 25627
224 1 . 1 1 37 37 GLU CB C 37 29.898 29.898 29.230 0.668 25627
225 1 . 1 1 37 37 GLU H H 37 8.463 8.463 8.045 0.418 25627
226 1 . 1 1 38 38 TYR N N 38 117.942 117.942 121.059 -3.117 25627
227 1 . 1 1 38 38 TYR HA H 38 3.483 3.483 3.400 0.083 25627
228 1 . 1 1 38 38 TYR C C 38 176.772 176.772 177.513 -0.740 25627
229 1 . 1 1 38 38 TYR CA C 38 62.767 62.767 60.609 2.158 25627
230 1 . 1 1 38 38 TYR CB C 38 39.979 39.979 38.262 1.717 25627
231 1 . 1 1 38 38 TYR H H 38 7.949 7.949 7.933 0.016 25627
232 1 . 1 1 39 39 LYS N N 39 115.539 115.539 117.945 -2.406 25627
233 1 . 1 1 39 39 LYS HA H 39 3.648 3.648 3.539 0.109 25627
234 1 . 1 1 39 39 LYS C C 39 179.543 179.543 179.028 0.515 25627
235 1 . 1 1 39 39 LYS CA C 39 60.647 60.647 59.765 0.882 25627
236 1 . 1 1 39 39 LYS CB C 39 32.223 32.223 31.979 0.244 25627
237 1 . 1 1 39 39 LYS H H 39 8.287 8.287 8.417 -0.130 25627
238 1 . 1 1 40 40 GLN N N 40 118.265 118.265 118.976 -0.711 25627
239 1 . 1 1 40 40 GLN HA H 40 4.011 4.011 4.011 0.000 25627
240 1 . 1 1 40 40 GLN C C 40 178.263 178.263 177.921 0.342 25627
241 1 . 1 1 40 40 GLN CA C 40 58.753 58.753 58.619 0.134 25627
242 1 . 1 1 40 40 GLN CB C 40 28.576 28.576 28.595 -0.019 25627
243 1 . 1 1 40 40 GLN H H 40 7.605 7.605 7.515 0.090 25627
244 1 . 1 1 41 41 VAL N N 41 118.627 118.627 118.992 -0.365 25627
245 1 . 1 1 41 41 VAL HA H 41 3.762 3.762 3.698 0.064 25627
246 1 . 1 1 41 41 VAL C C 41 178.092 178.092 177.652 0.440 25627
247 1 . 1 1 41 41 VAL CA C 41 65.709 65.709 65.513 0.196 25627
248 1 . 1 1 41 41 VAL CB C 41 32.642 32.642 31.810 0.832 25627
249 1 . 1 1 41 41 VAL H H 41 8.470 8.470 7.751 0.719 25627
250 1 . 1 1 42 42 LYS N N 42 115.117 115.117 116.408 -1.291 25627
251 1 . 1 1 42 42 LYS HA H 42 4.250 4.250 4.356 -0.106 25627
252 1 . 1 1 42 42 LYS C C 42 176.102 176.102 175.756 0.346 25627
253 1 . 1 1 42 42 LYS CA C 42 53.901 53.901 54.944 -1.043 25627
254 1 . 1 1 42 42 LYS CB C 42 31.165 31.165 32.486 -1.321 25627
255 1 . 1 1 42 42 LYS H H 42 8.263 8.263 7.494 0.769 25627
256 1 . 1 1 43 43 GLN N N 43 116.108 116.108 116.625 -0.517 25627
257 1 . 1 1 43 43 GLN HA H 43 3.968 3.968 3.954 0.014 25627
258 1 . 1 1 43 43 GLN C C 43 175.125 175.125 175.205 -0.080 25627
259 1 . 1 1 43 43 GLN CA C 43 56.555 56.555 56.706 -0.151 25627
260 1 . 1 1 43 43 GLN CB C 43 25.912 25.912 26.002 -0.090 25627
261 1 . 1 1 43 43 GLN H H 43 7.717 7.717 7.840 -0.123 25627
262 1 . 1 1 44 44 VAL N N 44 110.285 110.285 113.806 -3.521 25627
263 1 . 1 1 44 44 VAL HA H 44 4.558 4.558 4.401 0.157 25627
264 1 . 1 1 44 44 VAL C C 44 175.431 175.431 174.377 1.054 25627
265 1 . 1 1 44 44 VAL CA C 44 59.240 59.240 59.665 -0.425 25627
266 1 . 1 1 44 44 VAL CB C 44 34.732 34.732 33.785 0.947 25627
267 1 . 1 1 44 44 VAL H H 44 6.817 6.817 7.640 -0.823 25627
268 1 . 1 1 45 45 ALA N N 45 123.422 123.422 121.206 2.216 25627
269 1 . 1 1 45 45 ALA HA H 45 4.355 4.355 4.582 -0.227 25627
270 1 . 1 1 45 45 ALA C C 45 177.543 177.543 176.577 0.966 25627
271 1 . 1 1 45 45 ALA CA C 45 52.821 52.821 52.402 0.419 25627
272 1 . 1 1 45 45 ALA CB C 45 19.812 19.812 19.434 0.378 25627
273 1 . 1 1 45 45 ALA H H 45 8.571 8.571 8.169 0.402 25627
274 1 . 1 1 46 46 MET N N 46 114.808 114.808 117.992 -3.184 25627
275 1 . 1 1 46 46 MET HA H 46 4.724 4.724 4.759 -0.035 25627
276 1 . 1 1 46 46 MET C C 46 173.698 173.698 174.390 -0.692 25627
277 1 . 1 1 46 46 MET CA C 46 54.230 54.230 54.850 -0.620 25627
278 1 . 1 1 46 46 MET CB C 46 34.793 34.793 35.047 -0.254 25627
279 1 . 1 1 46 46 MET H H 46 7.657 7.657 7.673 -0.016 25627
280 1 . 1 1 47 47 VAL N N 47 120.757 120.757 122.305 -1.548 25627
281 1 . 1 1 47 47 VAL HA H 47 4.279 4.279 4.413 -0.134 25627
282 1 . 1 1 47 47 VAL C C 47 174.985 174.985 175.171 -0.186 25627
283 1 . 1 1 47 47 VAL CA C 47 61.036 61.036 61.139 -0.103 25627
284 1 . 1 1 47 47 VAL CB C 47 33.826 33.826 33.899 -0.073 25627
285 1 . 1 1 47 47 VAL H H 47 8.459 8.459 8.391 0.068 25627
286 1 . 1 1 48 48 ASP N N 48 126.251 126.251 126.887 -0.636 25627
287 1 . 1 1 48 48 ASP HA H 48 4.473 4.473 4.615 -0.142 25627
288 1 . 1 1 48 48 ASP C C 48 175.819 175.819 175.324 0.495 25627
289 1 . 1 1 48 48 ASP CA C 48 55.472 55.472 54.744 0.728 25627
290 1 . 1 1 48 48 ASP CB C 48 42.134 42.134 41.436 0.698 25627
291 1 . 1 1 48 48 ASP H H 48 8.929 8.929 8.663 0.266 25627
292 1 . 1 1 49 49 ARG N N 49 122.995 122.995 121.404 1.591 25627
293 1 . 1 1 49 49 ARG HA H 49 4.759 4.759 5.299 -0.540 25627
294 1 . 1 1 49 49 ARG C C 49 176.363 176.363 175.372 0.991 25627
295 1 . 1 1 49 49 ARG CA C 49 54.614 54.614 54.542 0.072 25627
296 1 . 1 1 49 49 ARG CB C 49 34.470 34.470 34.792 -0.322 25627
297 1 . 1 1 49 49 ARG H H 49 8.534 8.534 8.168 0.366 25627
298 1 . 1 1 50 50 TRP N N 50 125.191 125.191 121.833 3.358 25627
299 1 . 1 1 50 50 TRP HA H 50 4.664 4.664 5.122 -0.458 25627
300 1 . 1 1 50 50 TRP CA C 50 55.595 55.595 55.596 -0.001 25627
301 1 . 1 1 50 50 TRP CB C 50 29.113 29.113 29.274 -0.161 25627
302 1 . 1 1 50 50 TRP H H 50 9.111 9.111 8.417 0.694 25627
303 1 . 1 1 51 51 PRO HA H 51 4.345 4.345 4.247 0.098 25627
304 1 . 1 1 51 51 PRO C C 51 178.698 178.698 177.516 1.182 25627
305 1 . 1 1 51 51 PRO CA C 51 64.574 64.574 65.146 -0.572 25627
306 1 . 1 1 51 51 PRO CB C 51 32.163 32.163 32.108 0.055 25627
307 1 . 1 1 52 52 GLU N N 52 116.570 116.570 118.620 -2.050 25627
308 1 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.182 -0.212 25627
309 1 . 1 1 52 52 GLU C C 52 178.031 178.031 177.776 0.255 25627
310 1 . 1 1 52 52 GLU CA C 52 60.758 60.758 58.808 1.950 25627
311 1 . 1 1 52 52 GLU CB C 52 29.614 29.614 29.483 0.131 25627
312 1 . 1 1 52 52 GLU H H 52 9.951 9.951 8.928 1.023 25627
313 1 . 1 1 53 53 THR N N 53 103.788 103.788 107.302 -3.514 25627
314 1 . 1 1 53 53 THR HA H 53 4.135 4.135 4.356 -0.221 25627
315 1 . 1 1 53 53 THR C C 53 175.731 175.731 175.199 0.532 25627
316 1 . 1 1 53 53 THR CA C 53 60.427 60.427 62.117 -1.689 25627
317 1 . 1 1 53 53 THR CB C 53 70.762 70.762 71.239 -0.477 25627
318 1 . 1 1 53 53 THR H H 53 7.120 7.120 7.712 -0.591 25627
319 1 . 1 1 54 54 GLY N N 54 109.195 109.195 110.942 -1.747 25627
320 1 . 1 1 54 54 GLY C C 54 174.593 174.593 173.823 0.770 25627
321 1 . 1 1 54 54 GLY CA C 54 45.748 45.748 45.103 0.645 25627
322 1 . 1 1 54 54 GLY H H 54 8.227 8.227 8.203 0.024 25627
323 1 . 1 1 55 55 TYR N N 55 119.038 119.038 119.105 -0.067 25627
324 1 . 1 1 55 55 TYR HA H 55 5.705 5.705 4.649 1.056 25627
325 1 . 1 1 55 55 TYR C C 55 177.556 177.556 176.317 1.239 25627
326 1 . 1 1 55 55 TYR CA C 55 53.730 53.730 57.318 -3.588 25627
327 1 . 1 1 55 55 TYR CB C 55 38.741 38.741 39.429 -0.688 25627
328 1 . 1 1 55 55 TYR H H 55 7.353 7.353 7.383 -0.030 25627
329 1 . 1 1 56 56 VAL N N 56 120.089 120.089 121.153 -1.064 25627
330 1 . 1 1 56 56 VAL HA H 56 3.613 3.613 4.070 -0.457 25627
331 1 . 1 1 56 56 VAL C C 56 174.564 174.564 176.801 -2.237 25627
332 1 . 1 1 56 56 VAL CA C 56 64.767 64.767 64.250 0.517 25627
333 1 . 1 1 56 56 VAL CB C 56 32.767 32.767 31.346 1.421 25627
334 1 . 1 1 56 56 VAL H H 56 8.252 8.252 8.844 -0.592 25627
335 1 . 1 1 57 57 LYS N N 57 127.233 127.233 128.430 -1.197 25627
336 1 . 1 1 57 57 LYS HA H 57 4.448 4.448 4.750 -0.302 25627
337 1 . 1 1 57 57 LYS C C 57 175.256 175.256 176.348 -1.092 25627
338 1 . 1 1 57 57 LYS CA C 57 57.983 57.983 59.234 -1.251 25627
339 1 . 1 1 57 57 LYS CB C 57 35.250 35.250 33.784 1.466 25627
340 1 . 1 1 57 57 LYS H H 57 9.005 9.005 8.975 0.030 25627
341 1 . 1 1 58 58 LYS N N 58 115.918 115.918 115.102 0.816 25627
342 1 . 1 1 58 58 LYS HA H 58 5.370 5.370 5.063 0.307 25627
343 1 . 1 1 58 58 LYS C C 58 174.030 174.030 174.769 -0.739 25627
344 1 . 1 1 58 58 LYS CA C 58 54.854 54.854 55.173 -0.319 25627
345 1 . 1 1 58 58 LYS CB C 58 35.823 35.823 36.093 -0.270 25627
346 1 . 1 1 58 58 LYS H H 58 6.921 6.921 7.613 -0.692 25627
347 1 . 1 1 59 59 LEU N N 59 121.666 121.666 121.800 -0.134 25627
348 1 . 1 1 59 59 LEU HA H 59 4.649 4.649 4.510 0.139 25627
349 1 . 1 1 59 59 LEU C C 59 174.451 174.451 174.965 -0.514 25627
350 1 . 1 1 59 59 LEU CA C 59 53.472 53.472 54.100 -0.628 25627
351 1 . 1 1 59 59 LEU CB C 59 46.939 46.939 46.318 0.621 25627
352 1 . 1 1 59 59 LEU H H 59 8.793 8.793 8.854 -0.061 25627
353 1 . 1 1 60 60 GLN N N 60 121.710 121.710 124.116 -2.406 25627
354 1 . 1 1 60 60 GLN HA H 60 4.436 4.436 4.391 0.045 25627
355 1 . 1 1 60 60 GLN C C 60 176.636 176.636 175.538 1.098 25627
356 1 . 1 1 60 60 GLN CA C 60 54.917 54.917 55.918 -1.001 25627
357 1 . 1 1 60 60 GLN CB C 60 30.336 30.336 29.567 0.769 25627
358 1 . 1 1 60 60 GLN H H 60 8.879 8.879 8.631 0.247 25627
359 1 . 1 1 61 61 ARG N N 61 126.172 126.172 124.661 1.511 25627
360 1 . 1 1 61 61 ARG HA H 61 4.543 4.543 4.325 0.218 25627
361 1 . 1 1 61 61 ARG C C 61 178.315 178.315 177.822 0.493 25627
362 1 . 1 1 61 61 ARG CA C 61 57.573 57.573 55.580 1.993 25627
363 1 . 1 1 61 61 ARG CB C 61 31.901 31.901 30.828 1.073 25627
364 1 . 1 1 61 61 ARG H H 61 9.387 9.387 8.696 0.691 25627
365 1 . 1 1 62 62 ARG N N 62 123.754 123.754 119.933 3.821 25627
366 1 . 1 1 62 62 ARG HA H 62 3.868 3.868 4.130 -0.262 25627
367 1 . 1 1 62 62 ARG C C 62 176.508 176.508 176.364 0.144 25627
368 1 . 1 1 62 62 ARG CA C 62 59.863 59.863 58.006 1.857 25627
369 1 . 1 1 62 62 ARG CB C 62 29.464 29.464 29.764 -0.300 25627
370 1 . 1 1 62 62 ARG H H 62 9.385 9.385 8.356 1.029 25627
371 1 . 1 1 63 63 ASP N N 63 116.155 116.155 117.689 -1.534 25627
372 1 . 1 1 63 63 ASP HA H 63 4.431 4.431 4.689 -0.258 25627
373 1 . 1 1 63 63 ASP C C 63 176.163 176.163 175.446 0.717 25627
374 1 . 1 1 63 63 ASP CA C 63 53.186 53.186 53.719 -0.533 25627
375 1 . 1 1 63 63 ASP CB C 63 39.756 39.756 40.208 -0.452 25627
376 1 . 1 1 63 63 ASP H H 63 7.505 7.505 8.103 -0.597 25627
377 1 . 1 1 64 64 ASN N N 64 110.183 110.183 113.834 -3.651 25627
378 1 . 1 1 64 64 ASN HA H 64 4.087 4.087 4.254 -0.167 25627
379 1 . 1 1 64 64 ASN C C 64 175.432 175.432 173.608 1.824 25627
380 1 . 1 1 64 64 ASN CA C 64 55.430 55.430 54.507 0.923 25627
381 1 . 1 1 64 64 ASN CB C 64 36.034 36.034 36.362 -0.328 25627
382 1 . 1 1 64 64 ASN H H 64 7.791 7.791 8.210 -0.419 25627
383 1 . 1 1 65 65 THR N N 65 112.736 112.736 110.414 2.322 25627
384 1 . 1 1 65 65 THR HA H 65 4.414 4.414 4.449 -0.035 25627
385 1 . 1 1 65 65 THR C C 65 173.653 173.653 173.898 -0.245 25627
386 1 . 1 1 65 65 THR CA C 65 62.342 62.342 60.755 1.587 25627
387 1 . 1 1 65 65 THR CB C 65 70.946 70.946 70.392 0.554 25627
388 1 . 1 1 65 65 THR H H 65 7.921 7.921 7.256 0.665 25627
389 1 . 1 1 66 66 PHE N N 66 118.850 118.850 125.133 -6.283 25627
390 1 . 1 1 66 66 PHE HA H 66 5.144 5.144 4.447 0.697 25627
391 1 . 1 1 66 66 PHE C C 66 174.762 174.762 175.009 -0.247 25627
392 1 . 1 1 66 66 PHE CA C 66 58.479 58.479 58.760 -0.281 25627
393 1 . 1 1 66 66 PHE CB C 66 42.263 42.263 39.389 2.874 25627
394 1 . 1 1 66 66 PHE H H 66 8.926 8.926 8.870 0.056 25627
395 1 . 1 1 67 67 PHE N N 67 124.259 124.259 126.749 -2.490 25627
396 1 . 1 1 67 67 PHE HA H 67 4.664 4.664 4.740 -0.076 25627
397 1 . 1 1 67 67 PHE C C 67 173.553 173.553 173.266 0.287 25627
398 1 . 1 1 67 67 PHE CA C 67 55.904 55.904 56.220 -0.316 25627
399 1 . 1 1 67 67 PHE CB C 67 42.337 42.337 42.093 0.245 25627
400 1 . 1 1 67 67 PHE H H 67 9.142 9.142 8.554 0.588 25627
401 1 . 1 1 68 68 TYR N N 68 122.881 122.881 126.463 -3.582 25627
402 1 . 1 1 68 68 TYR HA H 68 4.871 4.871 4.554 0.317 25627
403 1 . 1 1 68 68 TYR C C 68 174.835 174.835 175.237 -0.402 25627
404 1 . 1 1 68 68 TYR CA C 68 57.393 57.393 58.405 -1.012 25627
405 1 . 1 1 68 68 TYR CB C 68 40.189 40.189 38.843 1.346 25627
406 1 . 1 1 68 68 TYR H H 68 8.064 8.064 8.161 -0.097 25627
407 1 . 1 1 69 69 TYR N N 69 118.675 118.675 123.471 -4.796 25627
408 1 . 1 1 69 69 TYR HA H 69 5.025 5.025 4.764 0.260 25627
409 1 . 1 1 69 69 TYR C C 69 177.181 177.181 175.261 1.920 25627
410 1 . 1 1 69 69 TYR CA C 69 56.912 56.912 57.218 -0.306 25627
411 1 . 1 1 69 69 TYR CB C 69 43.423 43.423 41.561 1.862 25627
412 1 . 1 1 69 69 TYR H H 69 8.384 8.384 8.769 -0.385 25627
413 1 . 1 1 70 70 ASN N N 70 122.917 122.917 119.324 3.593 25627
414 1 . 1 1 70 70 ASN HA H 70 4.795 4.795 4.832 -0.037 25627
415 1 . 1 1 70 70 ASN C C 70 175.433 175.433 175.977 -0.544 25627
416 1 . 1 1 70 70 ASN CA C 70 53.359 53.359 52.366 0.993 25627
417 1 . 1 1 70 70 ASN CB C 70 39.377 39.377 39.690 -0.313 25627
418 1 . 1 1 70 70 ASN H H 70 9.832 9.832 8.719 1.113 25627
419 1 . 1 1 71 71 LYS N N 71 123.116 123.116 122.943 0.173 25627
420 1 . 1 1 71 71 LYS HA H 71 2.239 2.239 4.275 -2.036 25627
421 1 . 1 1 71 71 LYS C C 71 175.495 175.495 177.449 -1.954 25627
422 1 . 1 1 71 71 LYS CA C 71 58.421 58.421 58.280 0.141 25627
423 1 . 1 1 71 71 LYS CB C 71 32.077 32.077 32.036 0.041 25627
424 1 . 1 1 71 71 LYS H H 71 8.047 8.047 8.582 -0.535 25627
425 1 . 1 1 72 72 GLU N N 72 113.242 113.242 120.663 -7.420 25627
426 1 . 1 1 72 72 GLU HA H 72 4.378 4.378 4.308 0.070 25627
427 1 . 1 1 72 72 GLU C C 72 175.018 175.018 175.701 -0.683 25627
428 1 . 1 1 72 72 GLU CA C 72 54.807 54.807 55.723 -0.916 25627
429 1 . 1 1 72 72 GLU CB C 72 30.432 30.432 28.650 1.782 25627
430 1 . 1 1 72 72 GLU H H 72 7.335 7.335 8.149 -0.814 25627
431 1 . 1 1 73 73 ARG N N 73 118.120 118.120 120.958 -2.838 25627
432 1 . 1 1 73 73 ARG HA H 73 3.354 3.354 4.060 -0.706 25627
433 1 . 1 1 73 73 ARG C C 73 175.859 175.859 176.001 -0.142 25627
434 1 . 1 1 73 73 ARG CA C 73 57.674 57.674 57.063 0.611 25627
435 1 . 1 1 73 73 ARG CB C 73 31.134 31.134 30.126 1.008 25627
436 1 . 1 1 73 73 ARG H H 73 8.174 8.174 8.197 -0.023 25627
437 1 . 1 1 74 74 GLU N N 74 127.360 127.360 123.329 4.031 25627
438 1 . 1 1 74 74 GLU HA H 74 4.493 4.493 4.310 0.183 25627
439 1 . 1 1 74 74 GLU C C 74 176.415 176.415 175.245 1.170 25627
440 1 . 1 1 74 74 GLU CA C 74 57.061 57.061 55.831 1.230 25627
441 1 . 1 1 74 74 GLU CB C 74 33.462 33.462 30.117 3.345 25627
442 1 . 1 1 74 74 GLU H H 74 10.788 10.788 8.564 2.224 25627
443 1 . 1 1 75 75 CYS N N 75 123.441 123.441 119.302 4.139 25627
444 1 . 1 1 75 75 CYS HA H 75 3.476 3.476 4.365 -0.889 25627
445 1 . 1 1 75 75 CYS C C 75 174.198 174.198 174.060 0.138 25627
446 1 . 1 1 75 75 CYS CA C 75 59.022 59.022 58.669 0.353 25627
447 1 . 1 1 75 75 CYS CB C 75 26.222 26.222 28.557 -2.335 25627
448 1 . 1 1 75 75 CYS H H 75 9.198 9.198 7.692 1.506 25627
449 1 . 1 1 76 76 GLU N N 76 131.177 131.177 124.628 6.549 25627
450 1 . 1 1 76 76 GLU HA H 76 3.995 3.995 4.286 -0.291 25627
451 1 . 1 1 76 76 GLU C C 76 177.122 177.122 176.008 1.114 25627
452 1 . 1 1 76 76 GLU CA C 76 56.816 56.816 54.884 1.932 25627
453 1 . 1 1 76 76 GLU CB C 76 30.668 30.668 32.137 -1.469 25627
454 1 . 1 1 76 76 GLU H H 76 8.452 8.452 8.201 0.251 25627
455 1 . 1 1 77 77 ASP N N 77 123.154 123.154 121.677 1.477 25627
456 1 . 1 1 77 77 ASP HA H 77 4.336 4.336 4.352 -0.016 25627
457 1 . 1 1 77 77 ASP C C 77 179.545 179.545 177.607 1.938 25627
458 1 . 1 1 77 77 ASP CA C 77 58.610 58.610 57.481 1.129 25627
459 1 . 1 1 77 77 ASP CB C 77 39.949 39.949 40.506 -0.557 25627
460 1 . 1 1 77 77 ASP H H 77 9.067 9.067 8.793 0.274 25627
461 1 . 1 1 78 78 LYS N N 78 116.055 116.055 118.306 -2.251 25627
462 1 . 1 1 78 78 LYS HA H 78 4.298 4.298 4.021 0.277 25627
463 1 . 1 1 78 78 LYS C C 78 176.146 176.146 178.809 -2.663 25627
464 1 . 1 1 78 78 LYS CA C 78 58.484 58.484 59.242 -0.758 25627
465 1 . 1 1 78 78 LYS CB C 78 31.840 31.840 32.113 -0.273 25627
466 1 . 1 1 78 78 LYS H H 78 8.664 8.664 8.282 0.382 25627
467 1 . 1 1 79 79 GLU N N 79 117.481 117.481 119.463 -1.982 25627
468 1 . 1 1 79 79 GLU HA H 79 4.447 4.447 4.164 0.283 25627
469 1 . 1 1 79 79 GLU C C 79 177.666 177.666 178.893 -1.227 25627
470 1 . 1 1 79 79 GLU CA C 79 55.605 55.605 58.717 -3.112 25627
471 1 . 1 1 79 79 GLU CB C 79 30.988 30.988 29.555 1.433 25627
472 1 . 1 1 79 79 GLU H H 79 7.735 7.735 8.285 -0.550 25627
473 1 . 1 1 80 80 VAL N N 80 121.192 121.192 120.183 1.009 25627
474 1 . 1 1 80 80 VAL HA H 80 3.243 3.243 3.647 -0.404 25627
475 1 . 1 1 80 80 VAL C C 80 176.731 176.731 177.667 -0.936 25627
476 1 . 1 1 80 80 VAL CA C 80 66.875 66.875 66.702 0.173 25627
477 1 . 1 1 80 80 VAL CB C 80 32.173 32.173 31.489 0.684 25627
478 1 . 1 1 80 80 VAL H H 80 7.274 7.274 7.629 -0.355 25627
479 1 . 1 1 81 81 HIS N N 81 112.861 112.861 116.448 -3.587 25627
480 1 . 1 1 81 81 HIS HA H 81 4.648 4.648 4.340 0.308 25627
481 1 . 1 1 81 81 HIS C C 81 175.330 175.330 177.075 -1.745 25627
482 1 . 1 1 81 81 HIS CA C 81 57.747 57.747 58.996 -1.249 25627
483 1 . 1 1 81 81 HIS CB C 81 29.180 29.180 30.020 -0.840 25627
484 1 . 1 1 81 81 HIS H H 81 8.157 8.157 7.712 0.445 25627
485 1 . 1 1 82 82 LYS N N 82 117.850 117.850 117.519 0.330 25627
486 1 . 1 1 82 82 LYS HA H 82 4.011 4.011 4.210 -0.199 25627
487 1 . 1 1 82 82 LYS C C 82 177.430 177.430 177.317 0.113 25627
488 1 . 1 1 82 82 LYS CA C 82 56.591 56.591 57.616 -1.025 25627
489 1 . 1 1 82 82 LYS CB C 82 33.083 33.083 32.904 0.179 25627
490 1 . 1 1 82 82 LYS H H 82 7.264 7.264 7.579 -0.315 25627
491 1 . 1 1 83 83 VAL N N 83 123.619 123.619 120.686 2.933 25627
492 1 . 1 1 83 83 VAL HA H 83 3.880 3.880 4.049 -0.169 25627
493 1 . 1 1 83 83 VAL C C 83 175.239 175.239 174.994 0.245 25627
494 1 . 1 1 83 83 VAL CA C 83 63.812 63.812 62.591 1.221 25627
495 1 . 1 1 83 83 VAL CB C 83 31.548 31.548 32.416 -0.868 25627
496 1 . 1 1 83 83 VAL H H 83 8.126 8.126 8.056 0.070 25627
497 1 . 1 1 84 84 LYS N N 84 128.994 128.994 126.525 2.469 25627
498 1 . 1 1 84 84 LYS HA H 84 4.453 4.453 4.754 -0.301 25627
499 1 . 1 1 84 84 LYS C C 84 174.399 174.399 175.439 -1.040 25627
500 1 . 1 1 84 84 LYS CA C 84 55.817 55.817 54.737 1.080 25627
501 1 . 1 1 84 84 LYS CB C 84 34.106 34.106 34.846 -0.740 25627
502 1 . 1 1 84 84 LYS H H 84 9.031 9.031 8.160 0.871 25627
503 1 . 1 1 85 85 VAL N N 85 120.723 120.723 122.276 -1.553 25627
504 1 . 1 1 85 85 VAL HA H 85 4.030 4.030 4.521 -0.491 25627
505 1 . 1 1 85 85 VAL C C 85 175.482 175.482 174.784 0.698 25627
506 1 . 1 1 85 85 VAL CA C 85 61.642 61.642 60.880 0.762 25627
507 1 . 1 1 85 85 VAL CB C 85 32.488 32.488 33.985 -1.497 25627
508 1 . 1 1 85 85 VAL H H 85 8.299 8.299 8.932 -0.633 25627
509 1 . 1 1 86 86 TYR N N 86 126.214 126.214 128.277 -2.063 25627
510 1 . 1 1 86 86 TYR HA H 86 4.726 4.726 4.960 -0.234 25627
511 1 . 1 1 86 86 TYR C C 86 175.214 175.214 174.899 0.315 25627
512 1 . 1 1 86 86 TYR CA C 86 58.540 58.540 55.970 2.570 25627
513 1 . 1 1 86 86 TYR CB C 86 41.052 41.052 39.377 1.675 25627
514 1 . 1 1 86 86 TYR H H 86 8.077 8.077 8.816 -0.739 25627
515 1 . 1 1 87 87 VAL N N 87 123.680 123.680 121.253 2.427 25627
516 1 . 1 1 87 87 VAL HA H 87 4.196 4.196 4.205 -0.009 25627
517 1 . 1 1 87 87 VAL C C 87 174.322 174.322 174.222 0.100 25627
518 1 . 1 1 87 87 VAL CA C 87 61.901 61.901 59.885 2.016 25627
519 1 . 1 1 87 87 VAL CB C 87 33.779 33.779 33.888 -0.109 25627
520 1 . 1 1 87 87 VAL H H 87 8.133 8.133 8.765 -0.632 25627
stop_
save_