data_25169
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25169
_Entry.PDB_ID 2MTM
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 25169
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 ARG N N 2 120.203 120.203 118.599 1.604 25169
2 1 1 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.453 -0.047 25169
3 1 1 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.005 1.309 25169
4 1 1 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.912 -0.867 25169
5 1 1 . 1 1 2 2 ARG H H 2 8.729 8.729 8.144 0.585 25169
6 1 1 . 1 1 3 3 CYS N N 3 124.206 124.206 122.070 2.136 25169
7 1 1 . 1 1 3 3 CYS HA H 3 4.227 4.227 3.787 0.440 25169
8 1 1 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.572 -2.283 25169
9 1 1 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.228 15.899 25169
10 1 1 . 1 1 3 3 CYS H H 3 9.237 9.237 8.409 0.828 25169
11 1 1 . 1 1 4 4 CYS N N 4 129.560 129.560 126.638 2.922 25169
12 1 1 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.708 0.088 25169
13 1 1 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.808 11.382 25169
14 1 1 . 1 1 4 4 CYS H H 4 8.979 8.979 8.893 0.086 25169
15 1 1 . 1 1 5 5 LEU N N 5 123.287 123.287 122.321 0.966 25169
16 1 1 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.645 -0.277 25169
17 1 1 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.242 0.708 25169
18 1 1 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.595 -0.696 25169
19 1 1 . 1 1 5 5 LEU H H 5 7.652 7.652 7.757 -0.105 25169
20 1 1 . 1 1 6 6 VAL N N 6 126.471 126.471 125.744 0.727 25169
21 1 1 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.334 0.107 25169
22 1 1 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.231 -2.954 25169
23 1 1 . 1 1 6 6 VAL CB C 6 34.170 34.170 33.692 0.478 25169
24 1 1 . 1 1 6 6 VAL H H 6 8.475 8.475 8.384 0.091 25169
25 1 1 . 1 1 7 7 MET N N 7 125.079 125.079 125.409 -0.330 25169
26 1 1 . 1 1 7 7 MET HA H 7 4.335 4.335 5.106 -0.771 25169
27 1 1 . 1 1 7 7 MET CA C 7 54.526 54.526 52.705 1.821 25169
28 1 1 . 1 1 7 7 MET CB C 7 34.112 34.112 33.285 0.827 25169
29 1 1 . 1 1 7 7 MET H H 7 8.478 8.478 8.357 0.121 25169
30 1 1 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.621 -0.019 25169
31 1 1 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.346 -2.797 25169
32 1 1 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.671 -0.129 25169
33 1 1 . 1 1 9 9 VAL N N 9 112.083 112.083 115.029 -2.946 25169
34 1 1 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.420 0.000 25169
35 1 1 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.410 2.622 25169
36 1 1 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.728 -0.236 25169
37 1 1 . 1 1 9 9 VAL H H 9 6.646 6.646 7.344 -0.698 25169
38 1 1 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.106 -1.231 25169
39 1 1 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.069 0.515 25169
40 1 1 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.495 -0.356 25169
41 1 1 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.407 -0.160 25169
42 1 1 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.267 1.458 25169
43 1 1 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.857 -0.260 25169
44 1 1 . 1 1 12 12 PHE N N 12 123.347 123.347 119.487 3.860 25169
45 1 1 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.701 -0.474 25169
46 1 1 . 1 1 12 12 PHE CA C 12 58.186 58.186 59.004 -0.818 25169
47 1 1 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.593 -3.450 25169
48 1 1 . 1 1 12 12 PHE H H 12 9.193 9.193 8.234 0.959 25169
49 1 1 . 1 1 13 13 ALA N N 13 118.951 118.951 122.196 -3.245 25169
50 1 1 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.258 -0.104 25169
51 1 1 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.086 -0.368 25169
52 1 1 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.560 0.107 25169
53 1 1 . 1 1 13 13 ALA H H 13 6.983 6.983 7.636 -0.653 25169
54 1 1 . 1 1 14 14 CYS N N 14 119.170 119.170 117.051 2.119 25169
55 1 1 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.371 -0.107 25169
56 1 1 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.936 -1.586 25169
57 1 1 . 1 1 14 14 CYS CB C 14 42.848 42.848 27.601 15.247 25169
58 1 1 . 1 1 14 14 CYS H H 14 8.719 8.719 8.331 0.388 25169
59 1 1 . 1 1 15 15 VAL N N 15 126.774 126.774 123.568 3.206 25169
60 1 1 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.128 -0.166 25169
61 1 1 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.818 -1.080 25169
62 1 1 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.723 0.132 25169
63 1 1 . 1 1 15 15 VAL H H 15 8.837 8.837 8.986 -0.149 25169
64 1 1 . 1 1 16 16 LYS N N 16 120.776 120.776 120.076 0.700 25169
65 1 1 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.671 -0.303 25169
66 1 1 . 1 1 16 16 LYS CA C 16 56.399 56.399 55.143 1.256 25169
67 1 1 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.535 1.961 25169
68 1 1 . 1 1 16 16 LYS H H 16 7.315 7.315 7.481 -0.166 25169
69 1 1 . 1 1 17 17 PHE N N 17 127.566 127.566 124.623 2.943 25169
70 1 1 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.624 0.127 25169
71 1 1 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.170 -0.392 25169
72 1 1 . 1 1 17 17 PHE H H 17 9.192 9.192 8.660 0.532 25169
73 1 1 . 1 1 18 18 CYS N N 18 120.458 120.458 127.258 -6.800 25169
74 1 1 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.582 0.143 25169
75 1 1 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.137 12.435 25169
76 1 1 . 1 1 18 18 CYS H H 18 9.067 9.067 8.883 0.184 25169
77 1 2 . 1 1 2 2 ARG N N 2 120.203 120.203 120.302 -0.099 25169
78 1 2 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.974 -0.568 25169
79 1 2 . 1 1 2 2 ARG CA C 2 55.314 55.314 53.734 1.580 25169
80 1 2 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.995 -0.950 25169
81 1 2 . 1 1 2 2 ARG H H 2 8.729 8.729 8.522 0.207 25169
82 1 2 . 1 1 3 3 CYS N N 3 124.206 124.206 121.557 2.649 25169
83 1 2 . 1 1 3 3 CYS HA H 3 4.227 4.227 3.932 0.295 25169
84 1 2 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.630 -2.341 25169
85 1 2 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.404 15.723 25169
86 1 2 . 1 1 3 3 CYS H H 3 9.237 9.237 8.868 0.369 25169
87 1 2 . 1 1 4 4 CYS N N 4 129.560 129.560 126.826 2.734 25169
88 1 2 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.739 0.057 25169
89 1 2 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.746 11.444 25169
90 1 2 . 1 1 4 4 CYS H H 4 8.979 8.979 8.776 0.203 25169
91 1 2 . 1 1 5 5 LEU N N 5 123.287 123.287 122.034 1.253 25169
92 1 2 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.563 -0.195 25169
93 1 2 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.413 0.537 25169
94 1 2 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.437 -0.538 25169
95 1 2 . 1 1 5 5 LEU H H 5 7.652 7.652 7.583 0.069 25169
96 1 2 . 1 1 6 6 VAL N N 6 126.471 126.471 125.694 0.777 25169
97 1 2 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.197 0.244 25169
98 1 2 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.201 -2.924 25169
99 1 2 . 1 1 6 6 VAL CB C 6 34.170 34.170 33.566 0.604 25169
100 1 2 . 1 1 6 6 VAL H H 6 8.475 8.475 8.261 0.214 25169
101 1 2 . 1 1 7 7 MET N N 7 125.079 125.079 125.274 -0.195 25169
102 1 2 . 1 1 7 7 MET HA H 7 4.335 4.335 5.086 -0.751 25169
103 1 2 . 1 1 7 7 MET CA C 7 54.526 54.526 52.699 1.827 25169
104 1 2 . 1 1 7 7 MET CB C 7 34.112 34.112 33.287 0.825 25169
105 1 2 . 1 1 7 7 MET H H 7 8.478 8.478 8.305 0.173 25169
106 1 2 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.541 0.061 25169
107 1 2 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.414 -2.865 25169
108 1 2 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.641 -0.099 25169
109 1 2 . 1 1 9 9 VAL N N 9 112.083 112.083 115.517 -3.434 25169
110 1 2 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.738 -0.318 25169
111 1 2 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.319 2.713 25169
112 1 2 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.598 -0.106 25169
113 1 2 . 1 1 9 9 VAL H H 9 6.646 6.646 7.413 -0.767 25169
114 1 2 . 1 1 10 10 PRO HA H 10 2.875 2.875 3.953 -1.078 25169
115 1 2 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.122 0.462 25169
116 1 2 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.410 -0.271 25169
117 1 2 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.188 0.059 25169
118 1 2 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.184 1.541 25169
119 1 2 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.763 -0.166 25169
120 1 2 . 1 1 12 12 PHE N N 12 123.347 123.347 119.130 4.217 25169
121 1 2 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.710 -0.483 25169
122 1 2 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.451 -0.265 25169
123 1 2 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.271 -3.128 25169
124 1 2 . 1 1 12 12 PHE H H 12 9.193 9.193 7.738 1.455 25169
125 1 2 . 1 1 13 13 ALA N N 13 118.951 118.951 122.127 -3.176 25169
126 1 2 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.223 -0.069 25169
127 1 2 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.037 -0.320 25169
128 1 2 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.599 0.068 25169
129 1 2 . 1 1 13 13 ALA H H 13 6.983 6.983 7.587 -0.604 25169
130 1 2 . 1 1 14 14 CYS N N 14 119.170 119.170 117.028 2.142 25169
131 1 2 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.172 0.092 25169
132 1 2 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.406 -1.056 25169
133 1 2 . 1 1 14 14 CYS CB C 14 42.848 42.848 27.029 15.819 25169
134 1 2 . 1 1 14 14 CYS H H 14 8.719 8.719 8.228 0.491 25169
135 1 2 . 1 1 15 15 VAL N N 15 126.774 126.774 123.522 3.252 25169
136 1 2 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.128 -0.166 25169
137 1 2 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.684 -0.946 25169
138 1 2 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.498 0.357 25169
139 1 2 . 1 1 15 15 VAL H H 15 8.837 8.837 8.725 0.112 25169
140 1 2 . 1 1 16 16 LYS N N 16 120.776 120.776 119.991 0.785 25169
141 1 2 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.562 -0.194 25169
142 1 2 . 1 1 16 16 LYS CA C 16 56.399 56.399 55.021 1.378 25169
143 1 2 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.449 2.047 25169
144 1 2 . 1 1 16 16 LYS H H 16 7.315 7.315 7.261 0.054 25169
145 1 2 . 1 1 17 17 PHE N N 17 127.566 127.566 124.495 3.071 25169
146 1 2 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.838 -0.087 25169
147 1 2 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.553 -0.776 25169
148 1 2 . 1 1 17 17 PHE H H 17 9.192 9.192 8.515 0.677 25169
149 1 2 . 1 1 18 18 CYS N N 18 120.458 120.458 125.701 -5.243 25169
150 1 2 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.703 0.022 25169
151 1 2 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.230 12.342 25169
152 1 2 . 1 1 18 18 CYS H H 18 9.067 9.067 9.168 -0.101 25169
153 1 3 . 1 1 2 2 ARG N N 2 120.203 120.203 119.861 0.342 25169
154 1 3 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.999 -0.593 25169
155 1 3 . 1 1 2 2 ARG CA C 2 55.314 55.314 53.646 1.668 25169
156 1 3 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.975 -0.930 25169
157 1 3 . 1 1 2 2 ARG H H 2 8.729 8.729 8.534 0.195 25169
158 1 3 . 1 1 3 3 CYS N N 3 124.206 124.206 120.601 3.605 25169
159 1 3 . 1 1 3 3 CYS HA H 3 4.227 4.227 3.955 0.272 25169
160 1 3 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.298 -2.009 25169
161 1 3 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.526 15.601 25169
162 1 3 . 1 1 3 3 CYS H H 3 9.237 9.237 8.799 0.438 25169
163 1 3 . 1 1 4 4 CYS N N 4 129.560 129.560 126.261 3.299 25169
164 1 3 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.743 0.053 25169
165 1 3 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.956 11.234 25169
166 1 3 . 1 1 4 4 CYS H H 4 8.979 8.979 8.742 0.237 25169
167 1 3 . 1 1 5 5 LEU N N 5 123.287 123.287 122.384 0.903 25169
168 1 3 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.583 -0.215 25169
169 1 3 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.177 0.773 25169
170 1 3 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.369 -0.470 25169
171 1 3 . 1 1 5 5 LEU H H 5 7.652 7.652 7.582 0.070 25169
172 1 3 . 1 1 6 6 VAL N N 6 126.471 126.471 125.713 0.758 25169
173 1 3 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.193 0.248 25169
174 1 3 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.231 -2.954 25169
175 1 3 . 1 1 6 6 VAL CB C 6 34.170 34.170 33.551 0.619 25169
176 1 3 . 1 1 6 6 VAL H H 6 8.475 8.475 8.298 0.177 25169
177 1 3 . 1 1 7 7 MET N N 7 125.079 125.079 125.369 -0.290 25169
178 1 3 . 1 1 7 7 MET HA H 7 4.335 4.335 5.071 -0.736 25169
179 1 3 . 1 1 7 7 MET CA C 7 54.526 54.526 52.670 1.856 25169
180 1 3 . 1 1 7 7 MET CB C 7 34.112 34.112 33.247 0.865 25169
181 1 3 . 1 1 7 7 MET H H 7 8.478 8.478 8.290 0.188 25169
182 1 3 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.614 -0.012 25169
183 1 3 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.458 -2.909 25169
184 1 3 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.647 -0.105 25169
185 1 3 . 1 1 9 9 VAL N N 9 112.083 112.083 114.633 -2.550 25169
186 1 3 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.426 -0.006 25169
187 1 3 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.569 2.463 25169
188 1 3 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.842 -0.350 25169
189 1 3 . 1 1 9 9 VAL H H 9 6.646 6.646 7.227 -0.581 25169
190 1 3 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.092 -1.217 25169
191 1 3 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.267 0.317 25169
192 1 3 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.509 -0.370 25169
193 1 3 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.409 -0.162 25169
194 1 3 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.268 1.457 25169
195 1 3 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.864 -0.267 25169
196 1 3 . 1 1 12 12 PHE N N 12 123.347 123.347 119.475 3.872 25169
197 1 3 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.685 -0.458 25169
198 1 3 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.985 -0.799 25169
199 1 3 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.583 -3.439 25169
200 1 3 . 1 1 12 12 PHE H H 12 9.193 9.193 8.231 0.962 25169
201 1 3 . 1 1 13 13 ALA N N 13 118.951 118.951 122.170 -3.219 25169
202 1 3 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.241 -0.087 25169
203 1 3 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.065 -0.348 25169
204 1 3 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.581 0.086 25169
205 1 3 . 1 1 13 13 ALA H H 13 6.983 6.983 7.631 -0.648 25169
206 1 3 . 1 1 14 14 CYS N N 14 119.170 119.170 116.944 2.226 25169
207 1 3 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.173 0.091 25169
208 1 3 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.630 -1.280 25169
209 1 3 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.742 16.106 25169
210 1 3 . 1 1 14 14 CYS H H 14 8.719 8.719 8.274 0.445 25169
211 1 3 . 1 1 15 15 VAL N N 15 126.774 126.774 123.607 3.167 25169
212 1 3 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.080 -0.118 25169
213 1 3 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.968 -1.230 25169
214 1 3 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.721 0.133 25169
215 1 3 . 1 1 15 15 VAL H H 15 8.837 8.837 8.762 0.075 25169
216 1 3 . 1 1 16 16 LYS N N 16 120.776 120.776 120.613 0.163 25169
217 1 3 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.545 -0.177 25169
218 1 3 . 1 1 16 16 LYS CA C 16 56.399 56.399 55.044 1.355 25169
219 1 3 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.427 2.069 25169
220 1 3 . 1 1 16 16 LYS H H 16 7.315 7.315 7.206 0.109 25169
221 1 3 . 1 1 17 17 PHE N N 17 127.566 127.566 123.722 3.844 25169
222 1 3 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.786 -0.035 25169
223 1 3 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.213 -0.435 25169
224 1 3 . 1 1 17 17 PHE H H 17 9.192 9.192 8.599 0.593 25169
225 1 3 . 1 1 18 18 CYS N N 18 120.458 120.458 126.830 -6.372 25169
226 1 3 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.727 -0.002 25169
227 1 3 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.951 11.621 25169
228 1 3 . 1 1 18 18 CYS H H 18 9.067 9.067 9.073 -0.006 25169
229 1 4 . 1 1 2 2 ARG N N 2 120.203 120.203 121.441 -1.238 25169
230 1 4 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.968 -0.562 25169
231 1 4 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.845 0.469 25169
232 1 4 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.613 -0.568 25169
233 1 4 . 1 1 2 2 ARG H H 2 8.729 8.729 8.512 0.216 25169
234 1 4 . 1 1 3 3 CYS N N 3 124.206 124.206 123.061 1.145 25169
235 1 4 . 1 1 3 3 CYS HA H 3 4.227 4.227 3.717 0.510 25169
236 1 4 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.729 -2.440 25169
237 1 4 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.183 15.944 25169
238 1 4 . 1 1 3 3 CYS H H 3 9.237 9.237 9.044 0.193 25169
239 1 4 . 1 1 4 4 CYS N N 4 129.560 129.560 126.389 3.171 25169
240 1 4 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.731 0.065 25169
241 1 4 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.927 11.263 25169
242 1 4 . 1 1 4 4 CYS H H 4 8.979 8.979 8.689 0.290 25169
243 1 4 . 1 1 5 5 LEU N N 5 123.287 123.287 121.881 1.406 25169
244 1 4 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.596 -0.228 25169
245 1 4 . 1 1 5 5 LEU CA C 5 55.950 55.950 54.940 1.010 25169
246 1 4 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.477 -0.578 25169
247 1 4 . 1 1 5 5 LEU H H 5 7.652 7.652 7.550 0.102 25169
248 1 4 . 1 1 6 6 VAL N N 6 126.471 126.471 124.585 1.886 25169
249 1 4 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.175 0.266 25169
250 1 4 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.847 -3.570 25169
251 1 4 . 1 1 6 6 VAL CB C 6 34.170 34.170 34.028 0.142 25169
252 1 4 . 1 1 6 6 VAL H H 6 8.475 8.475 8.243 0.232 25169
253 1 4 . 1 1 7 7 MET N N 7 125.079 125.079 125.088 -0.009 25169
254 1 4 . 1 1 7 7 MET HA H 7 4.335 4.335 5.097 -0.762 25169
255 1 4 . 1 1 7 7 MET CA C 7 54.526 54.526 52.499 2.027 25169
256 1 4 . 1 1 7 7 MET CB C 7 34.112 34.112 33.688 0.424 25169
257 1 4 . 1 1 7 7 MET H H 7 8.478 8.478 8.333 0.145 25169
258 1 4 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.590 0.012 25169
259 1 4 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.161 -2.612 25169
260 1 4 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.616 -0.074 25169
261 1 4 . 1 1 9 9 VAL N N 9 112.083 112.083 114.059 -1.976 25169
262 1 4 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.460 -0.040 25169
263 1 4 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.951 2.081 25169
264 1 4 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.899 -0.407 25169
265 1 4 . 1 1 9 9 VAL H H 9 6.646 6.646 7.305 -0.659 25169
266 1 4 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.100 -1.225 25169
267 1 4 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.121 0.463 25169
268 1 4 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.500 -0.361 25169
269 1 4 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.409 -0.162 25169
270 1 4 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.267 1.458 25169
271 1 4 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.862 -0.265 25169
272 1 4 . 1 1 12 12 PHE N N 12 123.347 123.347 119.498 3.849 25169
273 1 4 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.682 -0.455 25169
274 1 4 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.998 -0.812 25169
275 1 4 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.581 -3.438 25169
276 1 4 . 1 1 12 12 PHE H H 12 9.193 9.193 8.231 0.962 25169
277 1 4 . 1 1 13 13 ALA N N 13 118.951 118.951 122.166 -3.215 25169
278 1 4 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.237 -0.083 25169
279 1 4 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.063 -0.346 25169
280 1 4 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.577 0.090 25169
281 1 4 . 1 1 13 13 ALA H H 13 6.983 6.983 7.629 -0.646 25169
282 1 4 . 1 1 14 14 CYS N N 14 119.170 119.170 116.996 2.174 25169
283 1 4 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.166 0.098 25169
284 1 4 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.529 -1.179 25169
285 1 4 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.946 15.902 25169
286 1 4 . 1 1 14 14 CYS H H 14 8.719 8.719 8.252 0.467 25169
287 1 4 . 1 1 15 15 VAL N N 15 126.774 126.774 123.788 2.986 25169
288 1 4 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.148 -0.186 25169
289 1 4 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.392 -0.655 25169
290 1 4 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.483 0.372 25169
291 1 4 . 1 1 15 15 VAL H H 15 8.837 8.837 8.764 0.073 25169
292 1 4 . 1 1 16 16 LYS N N 16 120.776 120.776 119.711 1.065 25169
293 1 4 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.587 -0.219 25169
294 1 4 . 1 1 16 16 LYS CA C 16 56.399 56.399 54.756 1.643 25169
295 1 4 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.582 1.914 25169
296 1 4 . 1 1 16 16 LYS H H 16 7.315 7.315 7.248 0.067 25169
297 1 4 . 1 1 17 17 PHE N N 17 127.566 127.566 122.673 4.893 25169
298 1 4 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.650 0.101 25169
299 1 4 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.567 -0.789 25169
300 1 4 . 1 1 17 17 PHE H H 17 9.192 9.192 8.639 0.553 25169
301 1 4 . 1 1 18 18 CYS N N 18 120.458 120.458 125.354 -4.896 25169
302 1 4 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.717 0.008 25169
303 1 4 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.143 12.429 25169
304 1 4 . 1 1 18 18 CYS H H 18 9.067 9.067 9.203 -0.136 25169
305 1 5 . 1 1 2 2 ARG N N 2 120.203 120.203 120.293 -0.090 25169
306 1 5 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.967 -0.561 25169
307 1 5 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.751 0.563 25169
308 1 5 . 1 1 2 2 ARG CB C 2 32.045 32.045 31.843 0.202 25169
309 1 5 . 1 1 2 2 ARG H H 2 8.729 8.729 8.452 0.277 25169
310 1 5 . 1 1 3 3 CYS N N 3 124.206 124.206 123.962 0.244 25169
311 1 5 . 1 1 3 3 CYS HA H 3 4.227 4.227 3.629 0.598 25169
312 1 5 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.726 -2.437 25169
313 1 5 . 1 1 3 3 CYS CB C 3 42.127 42.127 25.965 16.163 25169
314 1 5 . 1 1 3 3 CYS H H 3 9.237 9.237 9.078 0.159 25169
315 1 5 . 1 1 4 4 CYS N N 4 129.560 129.560 126.667 2.893 25169
316 1 5 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.700 0.096 25169
317 1 5 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.778 11.412 25169
318 1 5 . 1 1 4 4 CYS H H 4 8.979 8.979 8.732 0.247 25169
319 1 5 . 1 1 5 5 LEU N N 5 123.287 123.287 121.782 1.505 25169
320 1 5 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.619 -0.251 25169
321 1 5 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.295 0.654 25169
322 1 5 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.373 -0.474 25169
323 1 5 . 1 1 5 5 LEU H H 5 7.652 7.652 7.529 0.123 25169
324 1 5 . 1 1 6 6 VAL N N 6 126.471 126.471 125.540 0.931 25169
325 1 5 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.215 0.226 25169
326 1 5 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.619 -3.342 25169
327 1 5 . 1 1 6 6 VAL CB C 6 34.170 34.170 34.054 0.116 25169
328 1 5 . 1 1 6 6 VAL H H 6 8.475 8.475 8.235 0.240 25169
329 1 5 . 1 1 7 7 MET N N 7 125.079 125.079 125.060 0.019 25169
330 1 5 . 1 1 7 7 MET HA H 7 4.335 4.335 5.098 -0.763 25169
331 1 5 . 1 1 7 7 MET CA C 7 54.526 54.526 52.503 2.023 25169
332 1 5 . 1 1 7 7 MET CB C 7 34.112 34.112 33.675 0.437 25169
333 1 5 . 1 1 7 7 MET H H 7 8.478 8.478 8.340 0.138 25169
334 1 5 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.614 -0.012 25169
335 1 5 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.475 -2.926 25169
336 1 5 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.653 -0.111 25169
337 1 5 . 1 1 9 9 VAL N N 9 112.083 112.083 114.764 -2.681 25169
338 1 5 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.418 0.002 25169
339 1 5 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.443 2.589 25169
340 1 5 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.782 -0.290 25169
341 1 5 . 1 1 9 9 VAL H H 9 6.646 6.646 7.230 -0.584 25169
342 1 5 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.095 -1.220 25169
343 1 5 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.260 0.324 25169
344 1 5 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.505 -0.366 25169
345 1 5 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.408 -0.161 25169
346 1 5 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.269 1.456 25169
347 1 5 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.862 -0.265 25169
348 1 5 . 1 1 12 12 PHE N N 12 123.347 123.347 119.485 3.862 25169
349 1 5 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.684 -0.457 25169
350 1 5 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.993 -0.807 25169
351 1 5 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.582 -3.439 25169
352 1 5 . 1 1 12 12 PHE H H 12 9.193 9.193 8.229 0.964 25169
353 1 5 . 1 1 13 13 ALA N N 13 118.951 118.951 122.173 -3.222 25169
354 1 5 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.239 -0.085 25169
355 1 5 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.070 -0.353 25169
356 1 5 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.578 0.089 25169
357 1 5 . 1 1 13 13 ALA H H 13 6.983 6.983 7.631 -0.648 25169
358 1 5 . 1 1 14 14 CYS N N 14 119.170 119.170 117.005 2.165 25169
359 1 5 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.172 0.092 25169
360 1 5 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.694 -1.344 25169
361 1 5 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.871 15.977 25169
362 1 5 . 1 1 14 14 CYS H H 14 8.719 8.719 8.261 0.458 25169
363 1 5 . 1 1 15 15 VAL N N 15 126.774 126.774 123.695 3.079 25169
364 1 5 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.060 -0.098 25169
365 1 5 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.849 -1.111 25169
366 1 5 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.606 0.249 25169
367 1 5 . 1 1 15 15 VAL H H 15 8.837 8.837 8.775 0.062 25169
368 1 5 . 1 1 16 16 LYS N N 16 120.776 120.776 119.841 0.935 25169
369 1 5 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.612 -0.244 25169
370 1 5 . 1 1 16 16 LYS CA C 16 56.399 56.399 55.067 1.332 25169
371 1 5 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.407 2.089 25169
372 1 5 . 1 1 16 16 LYS H H 16 7.315 7.315 7.272 0.043 25169
373 1 5 . 1 1 17 17 PHE N N 17 127.566 127.566 123.447 4.119 25169
374 1 5 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.815 -0.064 25169
375 1 5 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.885 -1.107 25169
376 1 5 . 1 1 17 17 PHE H H 17 9.192 9.192 8.517 0.675 25169
377 1 5 . 1 1 18 18 CYS N N 18 120.458 120.458 126.196 -5.738 25169
378 1 5 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.678 0.047 25169
379 1 5 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.989 11.583 25169
380 1 5 . 1 1 18 18 CYS H H 18 9.067 9.067 9.123 -0.056 25169
381 1 6 . 1 1 2 2 ARG N N 2 120.203 120.203 120.400 -0.197 25169
382 1 6 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.982 -0.576 25169
383 1 6 . 1 1 2 2 ARG CA C 2 55.314 55.314 53.708 1.606 25169
384 1 6 . 1 1 2 2 ARG CB C 2 32.045 32.045 33.057 -1.012 25169
385 1 6 . 1 1 2 2 ARG H H 2 8.729 8.729 8.526 0.203 25169
386 1 6 . 1 1 3 3 CYS N N 3 124.206 124.206 121.476 2.730 25169
387 1 6 . 1 1 3 3 CYS HA H 3 4.227 4.227 3.955 0.272 25169
388 1 6 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.342 -2.053 25169
389 1 6 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.273 15.854 25169
390 1 6 . 1 1 3 3 CYS H H 3 9.237 9.237 8.846 0.391 25169
391 1 6 . 1 1 4 4 CYS N N 4 129.560 129.560 126.921 2.639 25169
392 1 6 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.710 0.086 25169
393 1 6 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.585 11.604 25169
394 1 6 . 1 1 4 4 CYS H H 4 8.979 8.979 8.812 0.167 25169
395 1 6 . 1 1 5 5 LEU N N 5 123.287 123.287 121.495 1.792 25169
396 1 6 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.624 -0.256 25169
397 1 6 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.331 0.619 25169
398 1 6 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.352 -0.453 25169
399 1 6 . 1 1 5 5 LEU H H 5 7.652 7.652 7.535 0.117 25169
400 1 6 . 1 1 6 6 VAL N N 6 126.471 126.471 125.651 0.820 25169
401 1 6 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.214 0.227 25169
402 1 6 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.586 -3.309 25169
403 1 6 . 1 1 6 6 VAL CB C 6 34.170 34.170 34.079 0.091 25169
404 1 6 . 1 1 6 6 VAL H H 6 8.475 8.475 8.227 0.248 25169
405 1 6 . 1 1 7 7 MET N N 7 125.079 125.079 124.918 0.161 25169
406 1 6 . 1 1 7 7 MET HA H 7 4.335 4.335 5.096 -0.761 25169
407 1 6 . 1 1 7 7 MET CA C 7 54.526 54.526 52.484 2.042 25169
408 1 6 . 1 1 7 7 MET CB C 7 34.112 34.112 33.681 0.431 25169
409 1 6 . 1 1 7 7 MET H H 7 8.478 8.478 8.341 0.137 25169
410 1 6 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.591 0.011 25169
411 1 6 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.208 -2.659 25169
412 1 6 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.612 -0.070 25169
413 1 6 . 1 1 9 9 VAL N N 9 112.083 112.083 113.953 -1.870 25169
414 1 6 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.478 -0.058 25169
415 1 6 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.809 2.224 25169
416 1 6 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.882 -0.390 25169
417 1 6 . 1 1 9 9 VAL H H 9 6.646 6.646 7.285 -0.639 25169
418 1 6 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.087 -1.212 25169
419 1 6 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.143 0.441 25169
420 1 6 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.503 -0.364 25169
421 1 6 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.403 -0.156 25169
422 1 6 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.274 1.451 25169
423 1 6 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.851 -0.254 25169
424 1 6 . 1 1 12 12 PHE N N 12 123.347 123.347 119.475 3.872 25169
425 1 6 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.684 -0.457 25169
426 1 6 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.959 -0.773 25169
427 1 6 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.570 -3.427 25169
428 1 6 . 1 1 12 12 PHE H H 12 9.193 9.193 8.224 0.969 25169
429 1 6 . 1 1 13 13 ALA N N 13 118.951 118.951 122.196 -3.245 25169
430 1 6 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.228 -0.074 25169
431 1 6 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.049 -0.332 25169
432 1 6 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.565 0.102 25169
433 1 6 . 1 1 13 13 ALA H H 13 6.983 6.983 7.623 -0.640 25169
434 1 6 . 1 1 14 14 CYS N N 14 119.170 119.170 117.239 1.931 25169
435 1 6 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.190 0.074 25169
436 1 6 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.404 -1.054 25169
437 1 6 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.513 16.335 25169
438 1 6 . 1 1 14 14 CYS H H 14 8.719 8.719 8.249 0.470 25169
439 1 6 . 1 1 15 15 VAL N N 15 126.774 126.774 124.522 2.252 25169
440 1 6 . 1 1 15 15 VAL HA H 15 3.962 3.962 3.993 -0.031 25169
441 1 6 . 1 1 15 15 VAL CA C 15 62.738 62.738 64.146 -1.408 25169
442 1 6 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.428 0.427 25169
443 1 6 . 1 1 15 15 VAL H H 15 8.837 8.837 8.737 0.100 25169
444 1 6 . 1 1 16 16 LYS N N 16 120.776 120.776 120.029 0.747 25169
445 1 6 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.556 -0.188 25169
446 1 6 . 1 1 16 16 LYS CA C 16 56.399 56.399 54.794 1.605 25169
447 1 6 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.211 2.285 25169
448 1 6 . 1 1 16 16 LYS H H 16 7.315 7.315 7.281 0.034 25169
449 1 6 . 1 1 17 17 PHE N N 17 127.566 127.566 124.808 2.758 25169
450 1 6 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.833 -0.082 25169
451 1 6 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.509 -0.731 25169
452 1 6 . 1 1 17 17 PHE H H 17 9.192 9.192 8.537 0.655 25169
453 1 6 . 1 1 18 18 CYS N N 18 120.458 120.458 126.044 -5.586 25169
454 1 6 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.633 0.092 25169
455 1 6 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.661 11.911 25169
456 1 6 . 1 1 18 18 CYS H H 18 9.067 9.067 9.222 -0.155 25169
457 1 7 . 1 1 2 2 ARG N N 2 120.203 120.203 118.651 1.552 25169
458 1 7 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.942 -0.536 25169
459 1 7 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.739 0.575 25169
460 1 7 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.316 -0.271 25169
461 1 7 . 1 1 2 2 ARG H H 2 8.729 8.729 8.438 0.291 25169
462 1 7 . 1 1 3 3 CYS N N 3 124.206 124.206 121.297 2.909 25169
463 1 7 . 1 1 3 3 CYS HA H 3 4.227 4.227 4.031 0.196 25169
464 1 7 . 1 1 3 3 CYS CA C 3 58.289 58.289 59.936 -1.647 25169
465 1 7 . 1 1 3 3 CYS CB C 3 42.127 42.127 25.829 16.298 25169
466 1 7 . 1 1 3 3 CYS H H 3 9.237 9.237 8.707 0.530 25169
467 1 7 . 1 1 4 4 CYS N N 4 129.560 129.560 127.182 2.378 25169
468 1 7 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.397 0.399 25169
469 1 7 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.204 11.986 25169
470 1 7 . 1 1 4 4 CYS H H 4 8.979 8.979 8.973 0.006 25169
471 1 7 . 1 1 5 5 LEU N N 5 123.287 123.287 119.207 4.080 25169
472 1 7 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.671 -0.303 25169
473 1 7 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.303 0.646 25169
474 1 7 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.300 -0.401 25169
475 1 7 . 1 1 5 5 LEU H H 5 7.652 7.652 7.580 0.072 25169
476 1 7 . 1 1 6 6 VAL N N 6 126.471 126.471 126.118 0.353 25169
477 1 7 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.230 0.211 25169
478 1 7 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.322 -3.045 25169
479 1 7 . 1 1 6 6 VAL CB C 6 34.170 34.170 34.384 -0.214 25169
480 1 7 . 1 1 6 6 VAL H H 6 8.475 8.475 8.261 0.214 25169
481 1 7 . 1 1 7 7 MET N N 7 125.079 125.079 124.907 0.172 25169
482 1 7 . 1 1 7 7 MET HA H 7 4.335 4.335 5.118 -0.783 25169
483 1 7 . 1 1 7 7 MET CA C 7 54.526 54.526 52.524 2.002 25169
484 1 7 . 1 1 7 7 MET CB C 7 34.112 34.112 33.744 0.368 25169
485 1 7 . 1 1 7 7 MET H H 7 8.478 8.478 8.361 0.117 25169
486 1 7 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.540 0.062 25169
487 1 7 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.466 -2.917 25169
488 1 7 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.634 -0.092 25169
489 1 7 . 1 1 9 9 VAL N N 9 112.083 112.083 114.842 -2.759 25169
490 1 7 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.766 -0.346 25169
491 1 7 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.947 2.085 25169
492 1 7 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.881 -0.389 25169
493 1 7 . 1 1 9 9 VAL H H 9 6.646 6.646 7.338 -0.692 25169
494 1 7 . 1 1 10 10 PRO HA H 10 2.875 2.875 3.945 -1.070 25169
495 1 7 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.295 0.289 25169
496 1 7 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.435 -0.296 25169
497 1 7 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.188 0.059 25169
498 1 7 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.187 1.538 25169
499 1 7 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.766 -0.169 25169
500 1 7 . 1 1 12 12 PHE N N 12 123.347 123.347 119.083 4.264 25169
501 1 7 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.713 -0.486 25169
502 1 7 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.427 -0.241 25169
503 1 7 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.266 -3.123 25169
504 1 7 . 1 1 12 12 PHE H H 12 9.193 9.193 7.734 1.459 25169
505 1 7 . 1 1 13 13 ALA N N 13 118.951 118.951 122.140 -3.189 25169
506 1 7 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.229 -0.075 25169
507 1 7 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.059 -0.342 25169
508 1 7 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.613 0.053 25169
509 1 7 . 1 1 13 13 ALA H H 13 6.983 6.983 7.593 -0.610 25169
510 1 7 . 1 1 14 14 CYS N N 14 119.170 119.170 117.103 2.067 25169
511 1 7 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.180 0.084 25169
512 1 7 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.686 -1.336 25169
513 1 7 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.733 16.115 25169
514 1 7 . 1 1 14 14 CYS H H 14 8.719 8.719 8.261 0.458 25169
515 1 7 . 1 1 15 15 VAL N N 15 126.774 126.774 124.301 2.473 25169
516 1 7 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.028 -0.066 25169
517 1 7 . 1 1 15 15 VAL CA C 15 62.738 62.738 64.379 -1.641 25169
518 1 7 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.597 0.258 25169
519 1 7 . 1 1 15 15 VAL H H 15 8.837 8.837 8.842 -0.005 25169
520 1 7 . 1 1 16 16 LYS N N 16 120.776 120.776 119.983 0.793 25169
521 1 7 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.615 -0.247 25169
522 1 7 . 1 1 16 16 LYS CA C 16 56.399 56.399 55.038 1.361 25169
523 1 7 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.446 2.050 25169
524 1 7 . 1 1 16 16 LYS H H 16 7.315 7.315 7.322 -0.007 25169
525 1 7 . 1 1 17 17 PHE N N 17 127.566 127.566 124.351 3.215 25169
526 1 7 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.967 -0.216 25169
527 1 7 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.821 -1.042 25169
528 1 7 . 1 1 17 17 PHE H H 17 9.192 9.192 8.512 0.680 25169
529 1 7 . 1 1 18 18 CYS N N 18 120.458 120.458 125.934 -5.476 25169
530 1 7 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.588 0.137 25169
531 1 7 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.451 12.121 25169
532 1 7 . 1 1 18 18 CYS H H 18 9.067 9.067 9.074 -0.007 25169
533 1 8 . 1 1 2 2 ARG N N 2 120.203 120.203 119.563 0.640 25169
534 1 8 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.985 -0.579 25169
535 1 8 . 1 1 2 2 ARG CA C 2 55.314 55.314 53.612 1.702 25169
536 1 8 . 1 1 2 2 ARG CB C 2 32.045 32.045 33.001 -0.956 25169
537 1 8 . 1 1 2 2 ARG H H 2 8.729 8.729 8.519 0.210 25169
538 1 8 . 1 1 3 3 CYS N N 3 124.206 124.206 121.105 3.101 25169
539 1 8 . 1 1 3 3 CYS HA H 3 4.227 4.227 4.025 0.202 25169
540 1 8 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.270 -1.980 25169
541 1 8 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.329 15.797 25169
542 1 8 . 1 1 3 3 CYS H H 3 9.237 9.237 8.810 0.427 25169
543 1 8 . 1 1 4 4 CYS N N 4 129.560 129.560 126.835 2.725 25169
544 1 8 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.735 0.061 25169
545 1 8 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.648 11.542 25169
546 1 8 . 1 1 4 4 CYS H H 4 8.979 8.979 8.831 0.148 25169
547 1 8 . 1 1 5 5 LEU N N 5 123.287 123.287 121.670 1.617 25169
548 1 8 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.636 -0.268 25169
549 1 8 . 1 1 5 5 LEU CA C 5 55.950 55.950 54.822 1.128 25169
550 1 8 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.315 -0.416 25169
551 1 8 . 1 1 5 5 LEU H H 5 7.652 7.652 7.555 0.097 25169
552 1 8 . 1 1 6 6 VAL N N 6 126.471 126.471 125.211 1.260 25169
553 1 8 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.209 0.232 25169
554 1 8 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.553 -3.276 25169
555 1 8 . 1 1 6 6 VAL CB C 6 34.170 34.170 34.327 -0.157 25169
556 1 8 . 1 1 6 6 VAL H H 6 8.475 8.475 8.256 0.219 25169
557 1 8 . 1 1 7 7 MET N N 7 125.079 125.079 124.872 0.207 25169
558 1 8 . 1 1 7 7 MET HA H 7 4.335 4.335 5.097 -0.762 25169
559 1 8 . 1 1 7 7 MET CA C 7 54.526 54.526 52.480 2.046 25169
560 1 8 . 1 1 7 7 MET CB C 7 34.112 34.112 33.685 0.427 25169
561 1 8 . 1 1 7 7 MET H H 7 8.478 8.478 8.345 0.133 25169
562 1 8 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.607 -0.005 25169
563 1 8 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.386 -2.837 25169
564 1 8 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.663 -0.121 25169
565 1 8 . 1 1 9 9 VAL N N 9 112.083 112.083 115.077 -2.994 25169
566 1 8 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.413 0.007 25169
567 1 8 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.195 2.837 25169
568 1 8 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.636 -0.144 25169
569 1 8 . 1 1 9 9 VAL H H 9 6.646 6.646 7.315 -0.669 25169
570 1 8 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.096 -1.221 25169
571 1 8 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.034 0.550 25169
572 1 8 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.500 -0.361 25169
573 1 8 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.400 -0.153 25169
574 1 8 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.276 1.449 25169
575 1 8 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.850 -0.253 25169
576 1 8 . 1 1 12 12 PHE N N 12 123.347 123.347 119.458 3.889 25169
577 1 8 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.683 -0.456 25169
578 1 8 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.981 -0.795 25169
579 1 8 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.564 -3.421 25169
580 1 8 . 1 1 12 12 PHE H H 12 9.193 9.193 8.226 0.967 25169
581 1 8 . 1 1 13 13 ALA N N 13 118.951 118.951 122.188 -3.237 25169
582 1 8 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.228 -0.074 25169
583 1 8 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.053 -0.336 25169
584 1 8 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.560 0.107 25169
585 1 8 . 1 1 13 13 ALA H H 13 6.983 6.983 7.624 -0.641 25169
586 1 8 . 1 1 14 14 CYS N N 14 119.170 119.170 117.115 2.055 25169
587 1 8 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.168 0.096 25169
588 1 8 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.336 -0.986 25169
589 1 8 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.954 15.894 25169
590 1 8 . 1 1 14 14 CYS H H 14 8.719 8.719 8.213 0.506 25169
591 1 8 . 1 1 15 15 VAL N N 15 126.774 126.774 123.875 2.899 25169
592 1 8 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.145 -0.183 25169
593 1 8 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.773 -1.035 25169
594 1 8 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.377 0.478 25169
595 1 8 . 1 1 15 15 VAL H H 15 8.837 8.837 8.927 -0.090 25169
596 1 8 . 1 1 16 16 LYS N N 16 120.776 120.776 119.901 0.875 25169
597 1 8 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.568 -0.200 25169
598 1 8 . 1 1 16 16 LYS CA C 16 56.399 56.399 54.602 1.798 25169
599 1 8 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.440 2.056 25169
600 1 8 . 1 1 16 16 LYS H H 16 7.315 7.315 7.267 0.048 25169
601 1 8 . 1 1 17 17 PHE N N 17 127.566 127.566 123.349 4.217 25169
602 1 8 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.770 -0.019 25169
603 1 8 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.285 -0.507 25169
604 1 8 . 1 1 17 17 PHE H H 17 9.192 9.192 8.634 0.558 25169
605 1 8 . 1 1 18 18 CYS N N 18 120.458 120.458 126.280 -5.822 25169
606 1 8 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.762 -0.037 25169
607 1 8 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.241 12.331 25169
608 1 8 . 1 1 18 18 CYS H H 18 9.067 9.067 9.147 -0.080 25169
609 1 9 . 1 1 2 2 ARG N N 2 120.203 120.203 119.942 0.261 25169
610 1 9 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.952 -0.546 25169
611 1 9 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.298 1.016 25169
612 1 9 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.256 -0.211 25169
613 1 9 . 1 1 2 2 ARG H H 2 8.729 8.729 8.540 0.189 25169
614 1 9 . 1 1 3 3 CYS N N 3 124.206 124.206 120.800 3.406 25169
615 1 9 . 1 1 3 3 CYS HA H 3 4.227 4.227 3.994 0.233 25169
616 1 9 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.120 -1.831 25169
617 1 9 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.236 15.891 25169
618 1 9 . 1 1 3 3 CYS H H 3 9.237 9.237 8.768 0.469 25169
619 1 9 . 1 1 4 4 CYS N N 4 129.560 129.560 126.759 2.801 25169
620 1 9 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.443 0.353 25169
621 1 9 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.372 11.818 25169
622 1 9 . 1 1 4 4 CYS H H 4 8.979 8.979 8.927 0.052 25169
623 1 9 . 1 1 5 5 LEU N N 5 123.287 123.287 119.711 3.576 25169
624 1 9 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.678 -0.310 25169
625 1 9 . 1 1 5 5 LEU CA C 5 55.950 55.950 54.786 1.164 25169
626 1 9 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.288 -0.389 25169
627 1 9 . 1 1 5 5 LEU H H 5 7.652 7.652 7.619 0.033 25169
628 1 9 . 1 1 6 6 VAL N N 6 126.471 126.471 125.610 0.861 25169
629 1 9 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.182 0.259 25169
630 1 9 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.498 -3.221 25169
631 1 9 . 1 1 6 6 VAL CB C 6 34.170 34.170 34.536 -0.366 25169
632 1 9 . 1 1 6 6 VAL H H 6 8.475 8.475 8.250 0.225 25169
633 1 9 . 1 1 7 7 MET N N 7 125.079 125.079 124.823 0.256 25169
634 1 9 . 1 1 7 7 MET HA H 7 4.335 4.335 5.114 -0.779 25169
635 1 9 . 1 1 7 7 MET CA C 7 54.526 54.526 52.519 2.007 25169
636 1 9 . 1 1 7 7 MET CB C 7 34.112 34.112 33.744 0.368 25169
637 1 9 . 1 1 7 7 MET H H 7 8.478 8.478 8.358 0.120 25169
638 1 9 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.518 0.084 25169
639 1 9 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.209 -2.660 25169
640 1 9 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.616 -0.074 25169
641 1 9 . 1 1 9 9 VAL N N 9 112.083 112.083 114.361 -2.278 25169
642 1 9 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.793 -0.373 25169
643 1 9 . 1 1 9 9 VAL CA C 9 60.032 60.032 58.203 1.829 25169
644 1 9 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.897 -0.405 25169
645 1 9 . 1 1 9 9 VAL H H 9 6.646 6.646 7.409 -0.763 25169
646 1 9 . 1 1 10 10 PRO HA H 10 2.875 2.875 3.951 -1.076 25169
647 1 9 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.141 0.443 25169
648 1 9 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.429 -0.290 25169
649 1 9 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.185 0.062 25169
650 1 9 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.196 1.529 25169
651 1 9 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.758 -0.161 25169
652 1 9 . 1 1 12 12 PHE N N 12 123.347 123.347 119.113 4.234 25169
653 1 9 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.712 -0.485 25169
654 1 9 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.435 -0.249 25169
655 1 9 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.262 -3.119 25169
656 1 9 . 1 1 12 12 PHE H H 12 9.193 9.193 7.729 1.464 25169
657 1 9 . 1 1 13 13 ALA N N 13 118.951 118.951 122.158 -3.207 25169
658 1 9 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.230 -0.076 25169
659 1 9 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.050 -0.333 25169
660 1 9 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.602 0.066 25169
661 1 9 . 1 1 13 13 ALA H H 13 6.983 6.983 7.594 -0.611 25169
662 1 9 . 1 1 14 14 CYS N N 14 119.170 119.170 117.116 2.054 25169
663 1 9 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.181 0.083 25169
664 1 9 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.411 -1.062 25169
665 1 9 . 1 1 14 14 CYS CB C 14 42.848 42.848 27.026 15.822 25169
666 1 9 . 1 1 14 14 CYS H H 14 8.719 8.719 8.257 0.462 25169
667 1 9 . 1 1 15 15 VAL N N 15 126.774 126.774 123.686 3.088 25169
668 1 9 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.143 -0.181 25169
669 1 9 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.565 -0.827 25169
670 1 9 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.399 0.456 25169
671 1 9 . 1 1 15 15 VAL H H 15 8.837 8.837 8.838 -0.001 25169
672 1 9 . 1 1 16 16 LYS N N 16 120.776 120.776 119.697 1.079 25169
673 1 9 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.610 -0.242 25169
674 1 9 . 1 1 16 16 LYS CA C 16 56.399 56.399 54.825 1.573 25169
675 1 9 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.405 2.091 25169
676 1 9 . 1 1 16 16 LYS H H 16 7.315 7.315 7.309 0.006 25169
677 1 9 . 1 1 17 17 PHE N N 17 127.566 127.566 123.604 3.962 25169
678 1 9 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.945 -0.194 25169
679 1 9 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.804 -1.026 25169
680 1 9 . 1 1 17 17 PHE H H 17 9.192 9.192 8.535 0.657 25169
681 1 9 . 1 1 18 18 CYS N N 18 120.458 120.458 125.418 -4.960 25169
682 1 9 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.697 0.028 25169
683 1 9 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.017 12.555 25169
684 1 9 . 1 1 18 18 CYS H H 18 9.067 9.067 9.070 -0.003 25169
685 1 10 . 1 1 2 2 ARG N N 2 120.203 120.203 121.311 -1.108 25169
686 1 10 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.927 -0.521 25169
687 1 10 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.864 0.450 25169
688 1 10 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.424 -0.379 25169
689 1 10 . 1 1 2 2 ARG H H 2 8.729 8.729 8.494 0.235 25169
690 1 10 . 1 1 3 3 CYS N N 3 124.206 124.206 123.787 0.419 25169
691 1 10 . 1 1 3 3 CYS HA H 3 4.227 4.227 4.019 0.208 25169
692 1 10 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.827 -2.538 25169
693 1 10 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.203 15.924 25169
694 1 10 . 1 1 3 3 CYS H H 3 9.237 9.237 9.095 0.142 25169
695 1 10 . 1 1 4 4 CYS N N 4 129.560 129.560 126.212 3.348 25169
696 1 10 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.443 0.353 25169
697 1 10 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.500 11.691 25169
698 1 10 . 1 1 4 4 CYS H H 4 8.979 8.979 8.804 0.175 25169
699 1 10 . 1 1 5 5 LEU N N 5 123.287 123.287 122.041 1.246 25169
700 1 10 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.573 -0.205 25169
701 1 10 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.353 0.597 25169
702 1 10 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.505 -0.606 25169
703 1 10 . 1 1 5 5 LEU H H 5 7.652 7.652 7.588 0.064 25169
704 1 10 . 1 1 6 6 VAL N N 6 126.471 126.471 125.722 0.749 25169
705 1 10 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.204 0.237 25169
706 1 10 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.110 -2.833 25169
707 1 10 . 1 1 6 6 VAL CB C 6 34.170 34.170 33.628 0.542 25169
708 1 10 . 1 1 6 6 VAL H H 6 8.475 8.475 8.276 0.199 25169
709 1 10 . 1 1 7 7 MET N N 7 125.079 125.079 125.227 -0.148 25169
710 1 10 . 1 1 7 7 MET HA H 7 4.335 4.335 5.068 -0.733 25169
711 1 10 . 1 1 7 7 MET CA C 7 54.526 54.526 52.661 1.865 25169
712 1 10 . 1 1 7 7 MET CB C 7 34.112 34.112 33.221 0.891 25169
713 1 10 . 1 1 7 7 MET H H 7 8.478 8.478 8.292 0.186 25169
714 1 10 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.593 0.009 25169
715 1 10 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.225 -2.676 25169
716 1 10 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.609 -0.067 25169
717 1 10 . 1 1 9 9 VAL N N 9 112.083 112.083 113.940 -1.857 25169
718 1 10 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.482 -0.062 25169
719 1 10 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.750 2.282 25169
720 1 10 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.884 -0.392 25169
721 1 10 . 1 1 9 9 VAL H H 9 6.646 6.646 7.273 -0.627 25169
722 1 10 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.085 -1.210 25169
723 1 10 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.164 0.420 25169
724 1 10 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.503 -0.364 25169
725 1 10 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.402 -0.155 25169
726 1 10 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.271 1.454 25169
727 1 10 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.848 -0.251 25169
728 1 10 . 1 1 12 12 PHE N N 12 123.347 123.347 119.474 3.873 25169
729 1 10 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.682 -0.455 25169
730 1 10 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.959 -0.772 25169
731 1 10 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.570 -3.427 25169
732 1 10 . 1 1 12 12 PHE H H 12 9.193 9.193 8.223 0.970 25169
733 1 10 . 1 1 13 13 ALA N N 13 118.951 118.951 122.192 -3.241 25169
734 1 10 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.227 -0.073 25169
735 1 10 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.048 -0.331 25169
736 1 10 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.558 0.109 25169
737 1 10 . 1 1 13 13 ALA H H 13 6.983 6.983 7.622 -0.639 25169
738 1 10 . 1 1 14 14 CYS N N 14 119.170 119.170 117.164 2.006 25169
739 1 10 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.159 0.105 25169
740 1 10 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.320 -0.970 25169
741 1 10 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.833 16.015 25169
742 1 10 . 1 1 14 14 CYS H H 14 8.719 8.719 8.206 0.513 25169
743 1 10 . 1 1 15 15 VAL N N 15 126.774 126.774 124.043 2.731 25169
744 1 10 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.079 -0.117 25169
745 1 10 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.746 -1.008 25169
746 1 10 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.285 0.570 25169
747 1 10 . 1 1 15 15 VAL H H 15 8.837 8.837 8.803 0.034 25169
748 1 10 . 1 1 16 16 LYS N N 16 120.776 120.776 120.072 0.704 25169
749 1 10 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.540 -0.172 25169
750 1 10 . 1 1 16 16 LYS CA C 16 56.399 56.399 54.779 1.619 25169
751 1 10 . 1 1 16 16 LYS CB C 16 36.496 36.496 33.974 2.522 25169
752 1 10 . 1 1 16 16 LYS H H 16 7.315 7.315 7.264 0.051 25169
753 1 10 . 1 1 17 17 PHE N N 17 127.566 127.566 124.607 2.959 25169
754 1 10 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.615 0.136 25169
755 1 10 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.445 -0.667 25169
756 1 10 . 1 1 17 17 PHE H H 17 9.192 9.192 8.548 0.644 25169
757 1 10 . 1 1 18 18 CYS N N 18 120.458 120.458 125.995 -5.537 25169
758 1 10 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.615 0.110 25169
759 1 10 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.727 11.845 25169
760 1 10 . 1 1 18 18 CYS H H 18 9.067 9.067 9.156 -0.089 25169
761 1 11 . 1 1 2 2 ARG N N 2 120.203 120.203 119.875 0.328 25169
762 1 11 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.915 -0.509 25169
763 1 11 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.569 0.745 25169
764 1 11 . 1 1 2 2 ARG CB C 2 32.045 32.045 33.096 -1.052 25169
765 1 11 . 1 1 2 2 ARG H H 2 8.729 8.729 8.448 0.281 25169
766 1 11 . 1 1 3 3 CYS N N 3 124.206 124.206 121.365 2.841 25169
767 1 11 . 1 1 3 3 CYS HA H 3 4.227 4.227 4.107 0.120 25169
768 1 11 . 1 1 3 3 CYS CA C 3 58.289 58.289 59.894 -1.605 25169
769 1 11 . 1 1 3 3 CYS CB C 3 42.127 42.127 25.975 16.152 25169
770 1 11 . 1 1 3 3 CYS H H 3 9.237 9.237 8.694 0.543 25169
771 1 11 . 1 1 4 4 CYS N N 4 129.560 129.560 126.553 3.007 25169
772 1 11 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.427 0.369 25169
773 1 11 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.479 11.711 25169
774 1 11 . 1 1 4 4 CYS H H 4 8.979 8.979 8.805 0.174 25169
775 1 11 . 1 1 5 5 LEU N N 5 123.287 123.287 121.967 1.320 25169
776 1 11 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.551 -0.183 25169
777 1 11 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.360 0.590 25169
778 1 11 . 1 1 5 5 LEU CB C 5 44.899 44.899 46.032 -1.133 25169
779 1 11 . 1 1 5 5 LEU H H 5 7.652 7.652 7.562 0.090 25169
780 1 11 . 1 1 6 6 VAL N N 6 126.471 126.471 124.571 1.900 25169
781 1 11 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.237 0.204 25169
782 1 11 . 1 1 6 6 VAL CA C 6 57.277 57.277 59.895 -2.619 25169
783 1 11 . 1 1 6 6 VAL CB C 6 34.170 34.170 33.788 0.381 25169
784 1 11 . 1 1 6 6 VAL H H 6 8.475 8.475 8.167 0.308 25169
785 1 11 . 1 1 7 7 MET N N 7 125.079 125.079 125.593 -0.514 25169
786 1 11 . 1 1 7 7 MET HA H 7 4.335 4.335 5.103 -0.768 25169
787 1 11 . 1 1 7 7 MET CA C 7 54.526 54.526 52.707 1.819 25169
788 1 11 . 1 1 7 7 MET CB C 7 34.112 34.112 33.771 0.341 25169
789 1 11 . 1 1 7 7 MET H H 7 8.478 8.478 8.332 0.146 25169
790 1 11 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.593 0.009 25169
791 1 11 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.202 -2.653 25169
792 1 11 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.613 -0.071 25169
793 1 11 . 1 1 9 9 VAL N N 9 112.083 112.083 113.945 -1.862 25169
794 1 11 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.480 -0.060 25169
795 1 11 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.800 2.232 25169
796 1 11 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.875 -0.383 25169
797 1 11 . 1 1 9 9 VAL H H 9 6.646 6.646 7.285 -0.639 25169
798 1 11 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.091 -1.216 25169
799 1 11 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.150 0.434 25169
800 1 11 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.504 -0.365 25169
801 1 11 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.406 -0.159 25169
802 1 11 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.277 1.448 25169
803 1 11 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.855 -0.258 25169
804 1 11 . 1 1 12 12 PHE N N 12 123.347 123.347 119.481 3.866 25169
805 1 11 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.686 -0.459 25169
806 1 11 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.965 -0.779 25169
807 1 11 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.573 -3.430 25169
808 1 11 . 1 1 12 12 PHE H H 12 9.193 9.193 8.226 0.967 25169
809 1 11 . 1 1 13 13 ALA N N 13 118.951 118.951 122.207 -3.256 25169
810 1 11 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.240 -0.086 25169
811 1 11 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.076 -0.359 25169
812 1 11 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.579 0.088 25169
813 1 11 . 1 1 13 13 ALA H H 13 6.983 6.983 7.634 -0.651 25169
814 1 11 . 1 1 14 14 CYS N N 14 119.170 119.170 117.104 2.066 25169
815 1 11 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.170 0.094 25169
816 1 11 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.643 -1.293 25169
817 1 11 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.732 16.116 25169
818 1 11 . 1 1 14 14 CYS H H 14 8.719 8.719 8.263 0.456 25169
819 1 11 . 1 1 15 15 VAL N N 15 126.774 126.774 124.060 2.714 25169
820 1 11 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.032 -0.070 25169
821 1 11 . 1 1 15 15 VAL CA C 15 62.738 62.738 64.246 -1.508 25169
822 1 11 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.557 0.298 25169
823 1 11 . 1 1 15 15 VAL H H 15 8.837 8.837 8.847 -0.010 25169
824 1 11 . 1 1 16 16 LYS N N 16 120.776 120.776 120.127 0.649 25169
825 1 11 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.613 -0.245 25169
826 1 11 . 1 1 16 16 LYS CA C 16 56.399 56.399 54.915 1.484 25169
827 1 11 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.206 2.290 25169
828 1 11 . 1 1 16 16 LYS H H 16 7.315 7.315 7.295 0.020 25169
829 1 11 . 1 1 17 17 PHE N N 17 127.566 127.566 123.972 3.594 25169
830 1 11 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.987 -0.236 25169
831 1 11 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.735 -0.957 25169
832 1 11 . 1 1 17 17 PHE H H 17 9.192 9.192 8.532 0.660 25169
833 1 11 . 1 1 18 18 CYS N N 18 120.458 120.458 125.375 -4.917 25169
834 1 11 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.682 0.043 25169
835 1 11 . 1 1 18 18 CYS CB C 18 39.572 39.572 26.633 12.939 25169
836 1 11 . 1 1 18 18 CYS H H 18 9.067 9.067 9.071 -0.004 25169
837 1 12 . 1 1 2 2 ARG N N 2 120.203 120.203 119.810 0.393 25169
838 1 12 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.895 -0.489 25169
839 1 12 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.912 0.402 25169
840 1 12 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.447 -0.402 25169
841 1 12 . 1 1 2 2 ARG H H 2 8.729 8.729 8.459 0.270 25169
842 1 12 . 1 1 3 3 CYS N N 3 124.206 124.206 123.842 0.364 25169
843 1 12 . 1 1 3 3 CYS HA H 3 4.227 4.227 4.247 -0.020 25169
844 1 12 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.918 -2.629 25169
845 1 12 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.186 15.941 25169
846 1 12 . 1 1 3 3 CYS H H 3 9.237 9.237 9.083 0.154 25169
847 1 12 . 1 1 4 4 CYS N N 4 129.560 129.560 126.365 3.195 25169
848 1 12 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.449 0.347 25169
849 1 12 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.446 11.744 25169
850 1 12 . 1 1 4 4 CYS H H 4 8.979 8.979 8.875 0.104 25169
851 1 12 . 1 1 5 5 LEU N N 5 123.287 123.287 122.217 1.070 25169
852 1 12 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.603 -0.235 25169
853 1 12 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.417 0.533 25169
854 1 12 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.745 -0.846 25169
855 1 12 . 1 1 5 5 LEU H H 5 7.652 7.652 7.592 0.060 25169
856 1 12 . 1 1 6 6 VAL N N 6 126.471 126.471 125.472 0.999 25169
857 1 12 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.247 0.194 25169
858 1 12 . 1 1 6 6 VAL CA C 6 57.277 57.277 59.828 -2.551 25169
859 1 12 . 1 1 6 6 VAL CB C 6 34.170 34.170 33.889 0.281 25169
860 1 12 . 1 1 6 6 VAL H H 6 8.475 8.475 8.182 0.293 25169
861 1 12 . 1 1 7 7 MET N N 7 125.079 125.079 125.536 -0.457 25169
862 1 12 . 1 1 7 7 MET HA H 7 4.335 4.335 5.101 -0.766 25169
863 1 12 . 1 1 7 7 MET CA C 7 54.526 54.526 52.698 1.828 25169
864 1 12 . 1 1 7 7 MET CB C 7 34.112 34.112 33.759 0.353 25169
865 1 12 . 1 1 7 7 MET H H 7 8.478 8.478 8.332 0.146 25169
866 1 12 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.603 -0.001 25169
867 1 12 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.342 -2.793 25169
868 1 12 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.664 -0.122 25169
869 1 12 . 1 1 9 9 VAL N N 9 112.083 112.083 114.979 -2.896 25169
870 1 12 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.410 0.010 25169
871 1 12 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.358 2.674 25169
872 1 12 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.706 -0.214 25169
873 1 12 . 1 1 9 9 VAL H H 9 6.646 6.646 7.322 -0.676 25169
874 1 12 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.097 -1.222 25169
875 1 12 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.013 0.571 25169
876 1 12 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.500 -0.361 25169
877 1 12 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.398 -0.151 25169
878 1 12 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.274 1.451 25169
879 1 12 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.841 -0.244 25169
880 1 12 . 1 1 12 12 PHE N N 12 123.347 123.347 119.472 3.875 25169
881 1 12 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.680 -0.453 25169
882 1 12 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.981 -0.795 25169
883 1 12 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.561 -3.418 25169
884 1 12 . 1 1 12 12 PHE H H 12 9.193 9.193 8.226 0.967 25169
885 1 12 . 1 1 13 13 ALA N N 13 118.951 118.951 122.181 -3.230 25169
886 1 12 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.225 -0.071 25169
887 1 12 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.045 -0.329 25169
888 1 12 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.544 0.123 25169
889 1 12 . 1 1 13 13 ALA H H 13 6.983 6.983 7.619 -0.636 25169
890 1 12 . 1 1 14 14 CYS N N 14 119.170 119.170 116.959 2.211 25169
891 1 12 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.153 0.111 25169
892 1 12 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.602 -1.252 25169
893 1 12 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.853 15.995 25169
894 1 12 . 1 1 14 14 CYS H H 14 8.719 8.719 8.191 0.528 25169
895 1 12 . 1 1 15 15 VAL N N 15 126.774 126.774 123.698 3.076 25169
896 1 12 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.026 -0.064 25169
897 1 12 . 1 1 15 15 VAL CA C 15 62.738 62.738 64.123 -1.385 25169
898 1 12 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.735 0.120 25169
899 1 12 . 1 1 15 15 VAL H H 15 8.837 8.837 8.807 0.030 25169
900 1 12 . 1 1 16 16 LYS N N 16 120.776 120.776 120.132 0.644 25169
901 1 12 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.501 -0.133 25169
902 1 12 . 1 1 16 16 LYS CA C 16 56.399 56.399 54.978 1.421 25169
903 1 12 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.631 1.865 25169
904 1 12 . 1 1 16 16 LYS H H 16 7.315 7.315 7.249 0.066 25169
905 1 12 . 1 1 17 17 PHE N N 17 127.566 127.566 123.185 4.381 25169
906 1 12 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.578 0.173 25169
907 1 12 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.253 -0.475 25169
908 1 12 . 1 1 17 17 PHE H H 17 9.192 9.192 8.553 0.639 25169
909 1 12 . 1 1 18 18 CYS N N 18 120.458 120.458 125.689 -5.231 25169
910 1 12 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.592 0.133 25169
911 1 12 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.002 12.570 25169
912 1 12 . 1 1 18 18 CYS H H 18 9.067 9.067 9.155 -0.088 25169
913 1 13 . 1 1 2 2 ARG N N 2 120.203 120.203 121.925 -1.722 25169
914 1 13 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.485 -0.079 25169
915 1 13 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.165 1.149 25169
916 1 13 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.863 -0.818 25169
917 1 13 . 1 1 2 2 ARG H H 2 8.729 8.729 8.068 0.661 25169
918 1 13 . 1 1 3 3 CYS N N 3 124.206 124.206 121.035 3.171 25169
919 1 13 . 1 1 3 3 CYS HA H 3 4.227 4.227 3.974 0.253 25169
920 1 13 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.174 -1.885 25169
921 1 13 . 1 1 3 3 CYS CB C 3 42.127 42.127 25.873 16.254 25169
922 1 13 . 1 1 3 3 CYS H H 3 9.237 9.237 8.447 0.790 25169
923 1 13 . 1 1 4 4 CYS N N 4 129.560 129.560 126.839 2.721 25169
924 1 13 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.415 0.381 25169
925 1 13 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.375 11.815 25169
926 1 13 . 1 1 4 4 CYS H H 4 8.979 8.979 9.125 -0.146 25169
927 1 13 . 1 1 5 5 LEU N N 5 123.287 123.287 120.096 3.191 25169
928 1 13 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.646 -0.278 25169
929 1 13 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.007 0.943 25169
930 1 13 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.549 -0.650 25169
931 1 13 . 1 1 5 5 LEU H H 5 7.652 7.652 7.821 -0.169 25169
932 1 13 . 1 1 6 6 VAL N N 6 126.471 126.471 125.468 1.003 25169
933 1 13 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.295 0.146 25169
934 1 13 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.374 -3.098 25169
935 1 13 . 1 1 6 6 VAL CB C 6 34.170 34.170 33.668 0.502 25169
936 1 13 . 1 1 6 6 VAL H H 6 8.475 8.475 8.260 0.215 25169
937 1 13 . 1 1 7 7 MET N N 7 125.079 125.079 126.056 -0.977 25169
938 1 13 . 1 1 7 7 MET HA H 7 4.335 4.335 5.120 -0.785 25169
939 1 13 . 1 1 7 7 MET CA C 7 54.526 54.526 52.826 1.700 25169
940 1 13 . 1 1 7 7 MET CB C 7 34.112 34.112 33.661 0.451 25169
941 1 13 . 1 1 7 7 MET H H 7 8.478 8.478 8.378 0.100 25169
942 1 13 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.625 -0.023 25169
943 1 13 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.385 -2.836 25169
944 1 13 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.658 -0.116 25169
945 1 13 . 1 1 9 9 VAL N N 9 112.083 112.083 115.120 -3.037 25169
946 1 13 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.418 0.002 25169
947 1 13 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.212 2.820 25169
948 1 13 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.646 -0.154 25169
949 1 13 . 1 1 9 9 VAL H H 9 6.646 6.646 7.334 -0.688 25169
950 1 13 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.123 -1.248 25169
951 1 13 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.101 0.483 25169
952 1 13 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.495 -0.356 25169
953 1 13 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.408 -0.161 25169
954 1 13 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.267 1.458 25169
955 1 13 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.856 -0.259 25169
956 1 13 . 1 1 12 12 PHE N N 12 123.347 123.347 119.562 3.785 25169
957 1 13 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.689 -0.462 25169
958 1 13 . 1 1 12 12 PHE CA C 12 58.186 58.186 59.095 -0.909 25169
959 1 13 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.590 -3.447 25169
960 1 13 . 1 1 12 12 PHE H H 12 9.193 9.193 8.229 0.964 25169
961 1 13 . 1 1 13 13 ALA N N 13 118.951 118.951 122.178 -3.227 25169
962 1 13 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.256 -0.102 25169
963 1 13 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.087 -0.370 25169
964 1 13 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.578 0.089 25169
965 1 13 . 1 1 13 13 ALA H H 13 6.983 6.983 7.634 -0.651 25169
966 1 13 . 1 1 14 14 CYS N N 14 119.170 119.170 117.646 1.524 25169
967 1 13 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.441 -0.177 25169
968 1 13 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.762 -1.412 25169
969 1 13 . 1 1 14 14 CYS CB C 14 42.848 42.848 27.129 15.719 25169
970 1 13 . 1 1 14 14 CYS H H 14 8.719 8.719 8.363 0.356 25169
971 1 13 . 1 1 15 15 VAL N N 15 126.774 126.774 125.646 1.128 25169
972 1 13 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.145 -0.183 25169
973 1 13 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.214 -0.476 25169
974 1 13 . 1 1 15 15 VAL CB C 15 32.855 32.855 33.273 -0.418 25169
975 1 13 . 1 1 15 15 VAL H H 15 8.837 8.837 8.578 0.259 25169
976 1 13 . 1 1 16 16 LYS N N 16 120.776 120.776 120.707 0.069 25169
977 1 13 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.676 -0.308 25169
978 1 13 . 1 1 16 16 LYS CA C 16 56.399 56.399 55.106 1.293 25169
979 1 13 . 1 1 16 16 LYS CB C 16 36.496 36.496 33.636 2.860 25169
980 1 13 . 1 1 16 16 LYS H H 16 7.315 7.315 7.521 -0.206 25169
981 1 13 . 1 1 17 17 PHE N N 17 127.566 127.566 125.200 2.366 25169
982 1 13 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.879 -0.128 25169
983 1 13 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.457 -0.679 25169
984 1 13 . 1 1 17 17 PHE H H 17 9.192 9.192 8.653 0.539 25169
985 1 13 . 1 1 18 18 CYS N N 18 120.458 120.458 127.427 -6.969 25169
986 1 13 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.552 0.173 25169
987 1 13 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.007 12.565 25169
988 1 13 . 1 1 18 18 CYS H H 18 9.067 9.067 8.925 0.142 25169
989 1 14 . 1 1 2 2 ARG N N 2 120.203 120.203 120.990 -0.787 25169
990 1 14 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.872 -0.466 25169
991 1 14 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.501 0.813 25169
992 1 14 . 1 1 2 2 ARG CB C 2 32.045 32.045 33.496 -1.451 25169
993 1 14 . 1 1 2 2 ARG H H 2 8.729 8.729 8.421 0.308 25169
994 1 14 . 1 1 3 3 CYS N N 3 124.206 124.206 121.699 2.507 25169
995 1 14 . 1 1 3 3 CYS HA H 3 4.227 4.227 4.260 -0.033 25169
996 1 14 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.473 -2.184 25169
997 1 14 . 1 1 3 3 CYS CB C 3 42.127 42.127 25.989 16.138 25169
998 1 14 . 1 1 3 3 CYS H H 3 9.237 9.237 8.800 0.437 25169
999 1 14 . 1 1 4 4 CYS N N 4 129.560 129.560 126.802 2.758 25169
1000 1 14 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.431 0.365 25169
1001 1 14 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.277 11.913 25169
1002 1 14 . 1 1 4 4 CYS H H 4 8.979 8.979 9.073 -0.094 25169
1003 1 14 . 1 1 5 5 LEU N N 5 123.287 123.287 119.877 3.410 25169
1004 1 14 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.597 -0.229 25169
1005 1 14 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.405 0.545 25169
1006 1 14 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.460 -0.561 25169
1007 1 14 . 1 1 5 5 LEU H H 5 7.652 7.652 7.646 0.006 25169
1008 1 14 . 1 1 6 6 VAL N N 6 126.471 126.471 125.693 0.778 25169
1009 1 14 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.189 0.252 25169
1010 1 14 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.136 -2.859 25169
1011 1 14 . 1 1 6 6 VAL CB C 6 34.170 34.170 33.769 0.401 25169
1012 1 14 . 1 1 6 6 VAL H H 6 8.475 8.475 8.224 0.251 25169
1013 1 14 . 1 1 7 7 MET N N 7 125.079 125.079 125.865 -0.786 25169
1014 1 14 . 1 1 7 7 MET HA H 7 4.335 4.335 5.086 -0.751 25169
1015 1 14 . 1 1 7 7 MET CA C 7 54.526 54.526 52.733 1.793 25169
1016 1 14 . 1 1 7 7 MET CB C 7 34.112 34.112 33.674 0.438 25169
1017 1 14 . 1 1 7 7 MET H H 7 8.478 8.478 8.305 0.173 25169
1018 1 14 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.612 -0.010 25169
1019 1 14 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.472 -2.922 25169
1020 1 14 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.651 -0.109 25169
1021 1 14 . 1 1 9 9 VAL N N 9 112.083 112.083 114.767 -2.684 25169
1022 1 14 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.404 0.016 25169
1023 1 14 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.354 2.678 25169
1024 1 14 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.730 -0.238 25169
1025 1 14 . 1 1 9 9 VAL H H 9 6.646 6.646 7.228 -0.582 25169
1026 1 14 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.112 -1.237 25169
1027 1 14 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.260 0.325 25169
1028 1 14 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.502 -0.363 25169
1029 1 14 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.406 -0.159 25169
1030 1 14 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.273 1.452 25169
1031 1 14 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.849 -0.252 25169
1032 1 14 . 1 1 12 12 PHE N N 12 123.347 123.347 119.617 3.730 25169
1033 1 14 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.664 -0.437 25169
1034 1 14 . 1 1 12 12 PHE CA C 12 58.186 58.186 59.089 -0.903 25169
1035 1 14 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.572 -3.429 25169
1036 1 14 . 1 1 12 12 PHE H H 12 9.193 9.193 8.226 0.967 25169
1037 1 14 . 1 1 13 13 ALA N N 13 118.951 118.951 122.173 -3.222 25169
1038 1 14 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.216 -0.062 25169
1039 1 14 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.036 -0.319 25169
1040 1 14 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.567 0.100 25169
1041 1 14 . 1 1 13 13 ALA H H 13 6.983 6.983 7.615 -0.632 25169
1042 1 14 . 1 1 14 14 CYS N N 14 119.170 119.170 117.382 1.788 25169
1043 1 14 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.215 0.049 25169
1044 1 14 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.423 -1.073 25169
1045 1 14 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.589 16.259 25169
1046 1 14 . 1 1 14 14 CYS H H 14 8.719 8.719 8.205 0.514 25169
1047 1 14 . 1 1 15 15 VAL N N 15 126.774 126.774 125.048 1.726 25169
1048 1 14 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.042 -0.080 25169
1049 1 14 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.030 -0.292 25169
1050 1 14 . 1 1 15 15 VAL CB C 15 32.855 32.855 33.249 -0.394 25169
1051 1 14 . 1 1 15 15 VAL H H 15 8.837 8.837 8.353 0.484 25169
1052 1 14 . 1 1 16 16 LYS N N 16 120.776 120.776 120.692 0.084 25169
1053 1 14 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.559 -0.191 25169
1054 1 14 . 1 1 16 16 LYS CA C 16 56.399 56.399 54.782 1.617 25169
1055 1 14 . 1 1 16 16 LYS CB C 16 36.496 36.496 33.163 3.333 25169
1056 1 14 . 1 1 16 16 LYS H H 16 7.315 7.315 7.257 0.058 25169
1057 1 14 . 1 1 17 17 PHE N N 17 127.566 127.566 125.069 2.497 25169
1058 1 14 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.718 0.033 25169
1059 1 14 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.252 -0.473 25169
1060 1 14 . 1 1 17 17 PHE H H 17 9.192 9.192 8.536 0.656 25169
1061 1 14 . 1 1 18 18 CYS N N 18 120.458 120.458 126.470 -6.012 25169
1062 1 14 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.661 0.064 25169
1063 1 14 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.343 12.229 25169
1064 1 14 . 1 1 18 18 CYS H H 18 9.067 9.067 9.157 -0.090 25169
1065 1 15 . 1 1 2 2 ARG N N 2 120.203 120.203 119.891 0.312 25169
1066 1 15 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.938 -0.532 25169
1067 1 15 . 1 1 2 2 ARG CA C 2 55.314 55.314 53.404 1.910 25169
1068 1 15 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.778 -0.733 25169
1069 1 15 . 1 1 2 2 ARG H H 2 8.729 8.729 8.487 0.242 25169
1070 1 15 . 1 1 3 3 CYS N N 3 124.206 124.206 121.197 3.009 25169
1071 1 15 . 1 1 3 3 CYS HA H 3 4.227 4.227 4.292 -0.065 25169
1072 1 15 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.382 -2.093 25169
1073 1 15 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.320 15.807 25169
1074 1 15 . 1 1 3 3 CYS H H 3 9.237 9.237 8.810 0.427 25169
1075 1 15 . 1 1 4 4 CYS N N 4 129.560 129.560 126.926 2.634 25169
1076 1 15 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.417 0.379 25169
1077 1 15 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.186 12.004 25169
1078 1 15 . 1 1 4 4 CYS H H 4 8.979 8.979 9.091 -0.112 25169
1079 1 15 . 1 1 5 5 LEU N N 5 123.287 123.287 119.758 3.529 25169
1080 1 15 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.595 -0.227 25169
1081 1 15 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.390 0.560 25169
1082 1 15 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.448 -0.549 25169
1083 1 15 . 1 1 5 5 LEU H H 5 7.652 7.652 7.643 0.009 25169
1084 1 15 . 1 1 6 6 VAL N N 6 126.471 126.471 125.562 0.909 25169
1085 1 15 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.185 0.256 25169
1086 1 15 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.135 -2.858 25169
1087 1 15 . 1 1 6 6 VAL CB C 6 34.170 34.170 33.829 0.341 25169
1088 1 15 . 1 1 6 6 VAL H H 6 8.475 8.475 8.225 0.250 25169
1089 1 15 . 1 1 7 7 MET N N 7 125.079 125.079 125.633 -0.554 25169
1090 1 15 . 1 1 7 7 MET HA H 7 4.335 4.335 5.105 -0.770 25169
1091 1 15 . 1 1 7 7 MET CA C 7 54.526 54.526 52.730 1.796 25169
1092 1 15 . 1 1 7 7 MET CB C 7 34.112 34.112 33.794 0.318 25169
1093 1 15 . 1 1 7 7 MET H H 7 8.478 8.478 8.312 0.166 25169
1094 1 15 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.517 0.085 25169
1095 1 15 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.365 -2.816 25169
1096 1 15 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.652 -0.110 25169
1097 1 15 . 1 1 9 9 VAL N N 9 112.083 112.083 115.353 -3.270 25169
1098 1 15 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.737 -0.317 25169
1099 1 15 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.809 2.223 25169
1100 1 15 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.637 -0.145 25169
1101 1 15 . 1 1 9 9 VAL H H 9 6.646 6.646 7.450 -0.804 25169
1102 1 15 . 1 1 10 10 PRO HA H 10 2.875 2.875 3.987 -1.112 25169
1103 1 15 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.102 0.482 25169
1104 1 15 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.436 -0.298 25169
1105 1 15 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.173 0.074 25169
1106 1 15 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.192 1.533 25169
1107 1 15 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.748 -0.151 25169
1108 1 15 . 1 1 12 12 PHE N N 12 123.347 123.347 119.150 4.197 25169
1109 1 15 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.711 -0.484 25169
1110 1 15 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.422 -0.236 25169
1111 1 15 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.229 -3.086 25169
1112 1 15 . 1 1 12 12 PHE H H 12 9.193 9.193 7.720 1.473 25169
1113 1 15 . 1 1 13 13 ALA N N 13 118.951 118.951 122.357 -3.406 25169
1114 1 15 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.212 -0.058 25169
1115 1 15 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.071 -0.354 25169
1116 1 15 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.628 0.039 25169
1117 1 15 . 1 1 13 13 ALA H H 13 6.983 6.983 7.625 -0.642 25169
1118 1 15 . 1 1 14 14 CYS N N 14 119.170 119.170 117.558 1.612 25169
1119 1 15 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.190 0.074 25169
1120 1 15 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.608 -1.258 25169
1121 1 15 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.704 16.144 25169
1122 1 15 . 1 1 14 14 CYS H H 14 8.719 8.719 8.234 0.485 25169
1123 1 15 . 1 1 15 15 VAL N N 15 126.774 126.774 124.794 1.980 25169
1124 1 15 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.111 -0.149 25169
1125 1 15 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.056 -0.318 25169
1126 1 15 . 1 1 15 15 VAL CB C 15 32.855 32.855 33.164 -0.309 25169
1127 1 15 . 1 1 15 15 VAL H H 15 8.837 8.837 8.329 0.508 25169
1128 1 15 . 1 1 16 16 LYS N N 16 120.776 120.776 120.415 0.361 25169
1129 1 15 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.527 -0.159 25169
1130 1 15 . 1 1 16 16 LYS CA C 16 56.399 56.399 54.666 1.734 25169
1131 1 15 . 1 1 16 16 LYS CB C 16 36.496 36.496 33.226 3.270 25169
1132 1 15 . 1 1 16 16 LYS H H 16 7.315 7.315 7.261 0.054 25169
1133 1 15 . 1 1 17 17 PHE N N 17 127.566 127.566 124.686 2.880 25169
1134 1 15 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.708 0.043 25169
1135 1 15 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.178 -0.400 25169
1136 1 15 . 1 1 17 17 PHE H H 17 9.192 9.192 8.539 0.653 25169
1137 1 15 . 1 1 18 18 CYS N N 18 120.458 120.458 126.050 -5.592 25169
1138 1 15 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.723 0.002 25169
1139 1 15 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.055 12.517 25169
1140 1 15 . 1 1 18 18 CYS H H 18 9.067 9.067 9.220 -0.153 25169
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 14 2.946 -0.562 3.001 25169
2 1 1 "Average Difference" HA 17 0.408 0.162 0.386 25169
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25169
4 1 1 "Average Difference" CA 14 1.745 0.157 1.804 25169
5 1 1 "Average Difference" CB 17 6.807 -3.064 6.266 25169
6 1 1 "Average Difference" HN 14 0.494 -0.143 0.491 25169
7 1 2 "Average Difference" N 14 2.791 -0.624 2.823 25169
8 1 2 "Average Difference" HA 17 0.396 0.181 0.363 25169
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25169
10 1 2 "Average Difference" CA 14 1.740 0.048 1.805 25169
11 1 2 "Average Difference" CB 17 6.850 -3.129 6.282 25169
12 1 2 "Average Difference" HN 14 0.541 -0.182 0.528 25169
13 1 3 "Average Difference" N 14 3.020 -0.696 3.050 25169
14 1 3 "Average Difference" HA 17 0.410 0.185 0.377 25169
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25169
16 1 3 "Average Difference" CA 14 1.734 0.117 1.795 25169
17 1 3 "Average Difference" CB 17 6.786 -3.057 6.245 25169
18 1 3 "Average Difference" HN 14 0.431 -0.161 0.415 25169
19 1 4 "Average Difference" N 14 2.805 -0.803 2.789 25169
20 1 4 "Average Difference" HA 17 0.429 0.168 0.407 25169
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25169
22 1 4 "Average Difference" CA 14 1.749 0.176 1.806 25169
23 1 4 "Average Difference" CB 17 6.885 -3.059 6.358 25169
24 1 4 "Average Difference" HN 14 0.429 -0.133 0.424 25169
25 1 5 "Average Difference" N 14 2.790 -0.573 2.834 25169
26 1 5 "Average Difference" HA 17 0.433 0.168 0.412 25169
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25169
28 1 5 "Average Difference" CA 14 1.793 0.241 1.844 25169
29 1 5 "Average Difference" CB 17 6.856 -3.074 6.317 25169
30 1 5 "Average Difference" HN 14 0.433 -0.150 0.421 25169
31 1 6 "Average Difference" N 14 2.613 -0.629 2.631 25169
32 1 6 "Average Difference" HA 17 0.412 0.182 0.381 25169
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25169
34 1 6 "Average Difference" CA 14 1.752 0.114 1.815 25169
35 1 6 "Average Difference" CB 17 6.921 -3.079 6.389 25169
36 1 6 "Average Difference" HN 14 0.444 -0.147 0.435 25169
37 1 7 "Average Difference" N 14 2.935 -0.917 2.894 25169
38 1 7 "Average Difference" HA 17 0.412 0.175 0.384 25169
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25169
40 1 7 "Average Difference" CA 14 1.660 0.191 1.711 25169
41 1 7 "Average Difference" CB 17 6.994 -3.132 6.446 25169
42 1 7 "Average Difference" HN 14 0.540 -0.179 0.529 25169
43 1 8 "Average Difference" N 14 2.944 -0.817 2.935 25169
44 1 8 "Average Difference" HA 17 0.413 0.198 0.374 25169
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25169
46 1 8 "Average Difference" CA 14 1.842 -0.019 1.912 25169
47 1 8 "Average Difference" CB 17 6.883 -3.076 6.347 25169
48 1 8 "Average Difference" HN 14 0.439 -0.131 0.435 25169
49 1 9 "Average Difference" N 14 2.949 -1.081 2.847 25169
50 1 9 "Average Difference" HA 17 0.415 0.186 0.383 25169
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25169
52 1 9 "Average Difference" CA 14 1.638 0.044 1.699 25169
53 1 9 "Average Difference" CB 17 6.929 -3.119 6.378 25169
54 1 9 "Average Difference" HN 14 0.539 -0.164 0.533 25169
55 1 10 "Average Difference" N 14 2.606 -0.439 2.666 25169
56 1 10 "Average Difference" HA 17 0.411 0.150 0.394 25169
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25169
58 1 10 "Average Difference" CA 14 1.657 0.174 1.710 25169
59 1 10 "Average Difference" CB 17 6.894 -3.174 6.308 25169
60 1 10 "Average Difference" HN 14 0.432 -0.133 0.427 25169
61 1 11 "Average Difference" N 14 2.686 -0.838 2.648 25169
62 1 11 "Average Difference" HA 17 0.415 0.185 0.383 25169
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25169
64 1 11 "Average Difference" CA 14 1.577 0.147 1.630 25169
65 1 11 "Average Difference" CB 17 7.055 -3.098 6.534 25169
66 1 11 "Average Difference" HN 14 0.458 -0.167 0.443 25169
67 1 12 "Average Difference" N 14 2.778 -0.600 2.814 25169
68 1 12 "Average Difference" HA 17 0.409 0.155 0.390 25169
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25169
70 1 12 "Average Difference" CA 14 1.708 0.204 1.760 25169
71 1 12 "Average Difference" CB 17 6.956 -3.112 6.413 25169
72 1 12 "Average Difference" HN 14 0.440 -0.133 0.436 25169
73 1 13 "Average Difference" N 14 2.980 -0.216 3.084 25169
74 1 13 "Average Difference" HA 17 0.416 0.175 0.389 25169
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25169
76 1 13 "Average Difference" CA 14 1.721 0.081 1.784 25169
77 1 13 "Average Difference" CB 17 6.993 -3.139 6.441 25169
78 1 13 "Average Difference" HN 14 0.503 -0.155 0.497 25169
79 1 14 "Average Difference" N 14 2.770 -0.413 2.842 25169
80 1 14 "Average Difference" HA 17 0.408 0.169 0.383 25169
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25169
82 1 14 "Average Difference" CA 14 1.686 0.095 1.747 25169
83 1 14 "Average Difference" CB 17 7.040 -3.149 6.490 25169
84 1 14 "Average Difference" HN 14 0.463 -0.175 0.445 25169
85 1 15 "Average Difference" N 14 2.876 -0.614 2.916 25169
86 1 15 "Average Difference" HA 17 0.405 0.174 0.377 25169
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25169
88 1 15 "Average Difference" CA 14 1.692 -0.022 1.755 25169
89 1 15 "Average Difference" CB 17 7.000 -3.215 6.409 25169
90 1 15 "Average Difference" HN 14 0.568 -0.183 0.558 25169
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 25169
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 ARG N N 2 120.203 120.203 120.190 0.013 25169
2 1 . 1 1 2 2 ARG HA H 2 4.406 4.406 4.884 -0.478 25169
3 1 . 1 1 2 2 ARG CA C 2 55.314 55.314 54.250 1.064 25169
4 1 . 1 1 2 2 ARG CB C 2 32.045 32.045 32.738 -0.693 25169
5 1 . 1 1 2 2 ARG H H 2 8.729 8.729 8.438 0.291 25169
6 1 . 1 1 3 3 CYS N N 3 124.206 124.206 121.924 2.282 25169
7 1 . 1 1 3 3 CYS HA H 3 4.227 4.227 3.995 0.232 25169
8 1 . 1 1 3 3 CYS CA C 3 58.289 58.289 60.419 -2.130 25169
9 1 . 1 1 3 3 CYS CB C 3 42.127 42.127 26.168 15.959 25169
10 1 . 1 1 3 3 CYS H H 3 9.237 9.237 8.817 0.420 25169
11 1 . 1 1 4 4 CYS N N 4 129.560 129.560 126.678 2.882 25169
12 1 . 1 1 4 4 CYS HA H 4 4.796 4.796 4.566 0.230 25169
13 1 . 1 1 4 4 CYS CB C 4 40.190 40.190 28.552 11.638 25169
14 1 . 1 1 4 4 CYS H H 4 8.979 8.979 8.877 0.102 25169
15 1 . 1 1 5 5 LEU N N 5 123.287 123.287 121.229 2.058 25169
16 1 . 1 1 5 5 LEU HA H 5 4.368 4.368 4.612 -0.244 25169
17 1 . 1 1 5 5 LEU CA C 5 55.950 55.950 55.216 0.734 25169
18 1 . 1 1 5 5 LEU CB C 5 44.899 44.899 45.483 -0.584 25169
19 1 . 1 1 5 5 LEU H H 5 7.652 7.652 7.609 0.043 25169
20 1 . 1 1 6 6 VAL N N 6 126.471 126.471 125.490 0.981 25169
21 1 . 1 1 6 6 VAL HA H 6 4.441 4.441 4.220 0.221 25169
22 1 . 1 1 6 6 VAL CA C 6 57.277 57.277 60.304 -3.028 25169
23 1 . 1 1 6 6 VAL CB C 6 34.170 34.170 33.919 0.251 25169
24 1 . 1 1 6 6 VAL H H 6 8.475 8.475 8.250 0.225 25169
25 1 . 1 1 7 7 MET N N 7 125.079 125.079 125.309 -0.230 25169
26 1 . 1 1 7 7 MET HA H 7 4.335 4.335 5.098 -0.763 25169
27 1 . 1 1 7 7 MET CA C 7 54.526 54.526 52.629 1.897 25169
28 1 . 1 1 7 7 MET CB C 7 34.112 34.112 33.594 0.518 25169
29 1 . 1 1 7 7 MET H H 7 8.478 8.478 8.332 0.146 25169
30 1 . 1 1 8 8 PRO HA H 8 4.602 4.602 4.585 0.017 25169
31 1 . 1 1 8 8 PRO CA C 8 61.549 61.549 64.341 -2.792 25169
32 1 . 1 1 8 8 PRO CB C 8 31.542 31.542 31.640 -0.098 25169
33 1 . 1 1 9 9 VAL N N 9 112.083 112.083 114.689 -2.606 25169
34 1 . 1 1 9 9 VAL HA H 9 4.420 4.420 4.523 -0.103 25169
35 1 . 1 1 9 9 VAL CA C 9 60.032 60.032 57.609 2.423 25169
36 1 . 1 1 9 9 VAL CB C 9 32.492 32.492 32.775 -0.283 25169
37 1 . 1 1 9 9 VAL H H 9 6.646 6.646 7.317 -0.671 25169
38 1 . 1 1 10 10 PRO HA H 10 2.875 2.875 4.061 -1.186 25169
39 1 . 1 1 10 10 PRO CA C 10 61.584 61.584 61.149 0.435 25169
40 1 . 1 1 10 10 PRO CB C 10 30.139 30.139 30.482 -0.343 25169
41 1 . 1 1 11 11 PRO HA H 11 4.247 4.247 4.346 -0.099 25169
42 1 . 1 1 11 11 PRO CA C 11 63.725 63.725 62.249 1.476 25169
43 1 . 1 1 11 11 PRO CB C 11 32.597 32.597 32.829 -0.232 25169
44 1 . 1 1 12 12 PHE N N 12 123.347 123.347 119.397 3.950 25169
45 1 . 1 1 12 12 PHE HA H 12 4.227 4.227 4.691 -0.464 25169
46 1 . 1 1 12 12 PHE CA C 12 58.186 58.186 58.850 -0.664 25169
47 1 . 1 1 12 12 PHE CB C 12 35.143 35.143 38.491 -3.348 25169
48 1 . 1 1 12 12 PHE H H 12 9.193 9.193 8.095 1.098 25169
49 1 . 1 1 13 13 ALA N N 13 118.951 118.951 122.187 -3.236 25169
50 1 . 1 1 13 13 ALA HA H 13 4.154 4.154 4.233 -0.079 25169
51 1 . 1 1 13 13 ALA CA C 13 51.717 51.717 52.060 -0.343 25169
52 1 . 1 1 13 13 ALA CB C 13 19.667 19.667 19.579 0.088 25169
53 1 . 1 1 13 13 ALA H H 13 6.983 6.983 7.620 -0.637 25169
54 1 . 1 1 14 14 CYS N N 14 119.170 119.170 117.161 2.009 25169
55 1 . 1 1 14 14 CYS HA H 14 4.264 4.264 4.207 0.057 25169
56 1 . 1 1 14 14 CYS CA C 14 58.350 58.350 59.559 -1.209 25169
57 1 . 1 1 14 14 CYS CB C 14 42.848 42.848 26.884 15.964 25169
58 1 . 1 1 14 14 CYS H H 14 8.719 8.719 8.253 0.466 25169
59 1 . 1 1 15 15 VAL N N 15 126.774 126.774 124.124 2.650 25169
60 1 . 1 1 15 15 VAL HA H 15 3.962 3.962 4.086 -0.124 25169
61 1 . 1 1 15 15 VAL CA C 15 62.738 62.738 63.733 -0.995 25169
62 1 . 1 1 15 15 VAL CB C 15 32.855 32.855 32.673 0.182 25169
63 1 . 1 1 15 15 VAL H H 15 8.837 8.837 8.738 0.099 25169
64 1 . 1 1 16 16 LYS N N 16 120.776 120.776 120.132 0.644 25169
65 1 . 1 1 16 16 LYS HA H 16 4.368 4.368 4.583 -0.215 25169
66 1 . 1 1 16 16 LYS CA C 16 56.399 56.399 54.901 1.498 25169
67 1 . 1 1 16 16 LYS CB C 16 36.496 36.496 34.183 2.313 25169
68 1 . 1 1 16 16 LYS H H 16 7.315 7.315 7.300 0.015 25169
69 1 . 1 1 17 17 PHE N N 17 127.566 127.566 124.119 3.447 25169
70 1 . 1 1 17 17 PHE HA H 17 4.751 4.751 4.781 -0.030 25169
71 1 . 1 1 17 17 PHE CB C 17 39.778 39.778 40.475 -0.697 25169
72 1 . 1 1 17 17 PHE H H 17 9.192 9.192 8.567 0.625 25169
73 1 . 1 1 18 18 CYS N N 18 120.458 120.458 126.135 -5.677 25169
74 1 . 1 1 18 18 CYS HA H 18 4.725 4.725 4.661 0.064 25169
75 1 . 1 1 18 18 CYS CB C 18 39.572 39.572 27.306 12.266 25169
76 1 . 1 1 18 18 CYS H H 18 9.067 9.067 9.110 -0.043 25169
stop_
save_