NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396920 |
1sp7   |
6200 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sp7
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 330
_Distance_constraint_stats_list.Viol_count 1367
_Distance_constraint_stats_list.Viol_total 930.848
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0453
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0282
_Distance_constraint_stats_list.Viol_average_violations_only 0.0681
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 2.058 0.140 2 0 "[ . 1]"
1 2 CYS 4.249 0.194 6 0 "[ . 1]"
1 3 PRO 7.967 0.194 6 0 "[ . 1]"
1 4 PRO 2.872 0.124 3 0 "[ . 1]"
1 5 VAL 11.771 0.182 4 0 "[ . 1]"
1 6 CYS 8.175 0.194 4 0 "[ . 1]"
1 7 VAL 11.380 0.194 4 0 "[ . 1]"
1 8 ALA 5.380 0.143 1 0 "[ . 1]"
1 9 GLN 7.438 0.170 3 0 "[ . 1]"
1 10 CYS 0.777 0.041 9 0 "[ . 1]"
1 11 VAL 8.341 0.182 4 0 "[ . 1]"
1 12 PRO 2.900 0.134 3 0 "[ . 1]"
1 13 THR 2.142 0.150 9 0 "[ . 1]"
1 14 CYS 9.930 0.150 9 0 "[ . 1]"
1 15 PRO 15.638 0.192 1 0 "[ . 1]"
1 16 GLN 11.866 0.241 4 0 "[ . 1]"
1 17 TYR 19.059 0.241 4 0 "[ . 1]"
1 18 CYS 10.861 0.142 10 0 "[ . 1]"
1 19 CYS 8.153 0.156 4 0 "[ . 1]"
1 20 PRO 7.968 0.156 4 0 "[ . 1]"
1 21 ALA 3.011 0.149 10 0 "[ . 1]"
1 22 LYS 5.093 0.199 7 0 "[ . 1]"
1 23 ARG 2.312 0.139 8 0 "[ . 1]"
1 24 LYS 1.619 0.124 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PRO HA 1 1 PRO HB3 2.460 2.064 3.052 2.278 2.268 2.286 . 0 0 "[ . 1]" 1
2 1 1 PRO HA 1 1 PRO QD 3.137 2.335 3.865 3.390 2.948 3.451 . 0 0 "[ . 1]" 1
3 1 1 PRO HA 1 2 CYS H 2.604 2.222 2.825 2.322 2.306 2.333 . 0 0 "[ . 1]" 1
4 1 1 PRO HA 1 17 TYR QE 3.826 3.421 4.117 4.247 4.235 4.257 0.140 2 0 "[ . 1]" 1
5 1 1 PRO QB 1 2 CYS H 3.470 3.003 3.763 2.927 2.917 2.935 0.085 10 0 "[ . 1]" 1
6 1 2 CYS H 1 2 CYS HA 2.960 2.664 3.252 2.878 2.864 2.897 . 0 0 "[ . 1]" 1
7 1 2 CYS H 1 2 CYS HB2 2.621 2.429 2.846 2.757 2.747 2.783 . 0 0 "[ . 1]" 1
8 1 2 CYS H 1 2 CYS HB3 3.224 2.881 3.568 3.596 3.579 3.624 0.055 6 0 "[ . 1]" 1
9 1 2 CYS H 1 3 PRO HD2 4.951 4.711 5.292 4.879 4.864 4.890 . 0 0 "[ . 1]" 1
10 1 2 CYS H 1 3 PRO QD 4.201 3.761 4.782 4.186 4.159 4.200 . 0 0 "[ . 1]" 1
11 1 2 CYS H 1 3 PRO HD3 4.201 3.961 4.542 4.557 4.517 4.574 0.033 7 0 "[ . 1]" 1
12 1 2 CYS H 1 7 VAL MG2 4.831 4.228 5.538 5.545 5.521 5.557 0.019 2 0 "[ . 1]" 1
13 1 2 CYS HA 1 3 PRO HD2 2.471 2.170 2.618 2.115 2.097 2.129 0.073 6 0 "[ . 1]" 1
14 1 2 CYS HA 1 3 PRO HD3 2.212 2.029 2.323 2.228 2.216 2.242 . 0 0 "[ . 1]" 1
15 1 2 CYS QB 1 6 CYS HB2 3.397 2.739 3.776 2.974 2.960 2.992 . 0 0 "[ . 1]" 1
16 1 2 CYS QB 1 7 VAL QG 2.804 2.503 3.384 2.978 2.959 2.998 . 0 0 "[ . 1]" 1
17 1 2 CYS HB2 1 3 PRO HD2 3.497 3.179 3.996 4.162 4.143 4.190 0.194 6 0 "[ . 1]" 1
18 1 2 CYS HB3 1 3 PRO HD2 . 2.954 3.449 3.056 3.027 3.093 . 0 0 "[ . 1]" 1
19 1 2 CYS HB3 1 7 VAL MG2 3.152 2.341 4.083 3.417 3.382 3.458 . 0 0 "[ . 1]" 1
20 1 2 CYS HB3 1 18 CYS HB3 2.426 2.138 2.669 2.065 2.059 2.081 0.080 6 0 "[ . 1]" 1
21 1 3 PRO HA 1 4 PRO QD 1.921 . 2.305 2.029 2.018 2.037 . 0 0 "[ . 1]" 1
22 1 3 PRO HA 1 5 VAL H 3.332 2.413 4.099 4.218 4.207 4.231 0.132 4 0 "[ . 1]" 1
23 1 3 PRO HA 1 6 CYS QB 3.563 2.505 4.875 4.975 4.966 4.982 0.107 10 0 "[ . 1]" 1
24 1 3 PRO QB 1 3 PRO HD2 3.288 2.395 4.046 3.509 3.508 3.510 . 0 0 "[ . 1]" 1
25 1 3 PRO QB 1 4 PRO QD 2.756 2.182 3.407 2.394 2.366 2.414 . 0 0 "[ . 1]" 1
26 1 3 PRO QB 1 5 VAL H 3.082 2.313 3.799 2.672 2.655 2.683 . 0 0 "[ . 1]" 1
27 1 3 PRO QB 1 5 VAL QG 2.959 2.664 3.351 2.652 2.639 2.664 0.025 2 0 "[ . 1]" 1
28 1 3 PRO QB 1 6 CYS H . 2.859 3.895 3.593 3.578 3.602 . 0 0 "[ . 1]" 1
29 1 3 PRO HB2 1 5 VAL H 3.201 2.360 3.941 2.694 2.677 2.706 . 0 0 "[ . 1]" 1
30 1 3 PRO HB3 1 5 VAL H 3.893 2.637 4.772 4.416 4.401 4.428 . 0 0 "[ . 1]" 1
31 1 3 PRO HD2 1 6 CYS H 4.377 3.931 4.853 3.929 3.920 3.940 0.011 1 0 "[ . 1]" 1
32 1 3 PRO HD2 1 6 CYS QB 3.029 2.692 3.335 2.624 2.616 2.634 0.076 4 0 "[ . 1]" 1
33 1 3 PRO HD2 1 7 VAL H 4.715 3.966 5.157 5.099 5.058 5.121 . 0 0 "[ . 1]" 1
34 1 3 PRO HD2 1 18 CYS QB 3.648 2.539 4.477 3.799 3.763 3.830 . 0 0 "[ . 1]" 1
35 1 3 PRO QG 1 5 VAL H . 2.529 3.355 3.454 3.449 3.459 0.105 4 0 "[ . 1]" 1
36 1 3 PRO QG 1 5 VAL QG 2.465 2.066 3.058 2.569 2.560 2.576 . 0 0 "[ . 1]" 1
37 1 3 PRO QG 1 5 VAL MG2 3.100 2.720 3.230 2.594 2.585 2.601 0.135 8 0 "[ . 1]" 1
38 1 3 PRO QG 1 6 CYS H 3.979 2.772 4.375 2.741 2.735 2.750 0.036 4 0 "[ . 1]" 1
39 1 4 PRO HA 1 5 VAL H . 2.520 3.546 3.555 3.550 3.557 0.011 6 0 "[ . 1]" 1
40 1 4 PRO HA 1 6 CYS H 3.930 3.252 4.481 3.982 3.973 3.997 . 0 0 "[ . 1]" 1
41 1 4 PRO HA 1 7 VAL H . 3.324 3.567 3.275 3.264 3.283 0.060 8 0 "[ . 1]" 1
42 1 4 PRO HA 1 7 VAL MG1 3.157 2.343 3.889 3.953 3.943 3.964 0.075 3 0 "[ . 1]" 1
43 1 4 PRO HA 1 7 VAL MG2 2.645 2.138 3.274 2.759 2.729 2.777 . 0 0 "[ . 1]" 1
44 1 4 PRO QB 1 5 VAL H . 2.739 4.014 3.209 3.192 3.220 . 0 0 "[ . 1]" 1
45 1 4 PRO QD 1 5 VAL H 3.121 2.329 3.176 3.218 3.202 3.226 0.051 1 0 "[ . 1]" 1
46 1 4 PRO QD 1 5 VAL MG1 3.277 2.391 4.032 4.033 3.979 4.054 0.021 10 0 "[ . 1]" 1
47 1 4 PRO QD 1 7 VAL MG2 3.162 2.345 4.395 4.508 4.497 4.519 0.124 3 0 "[ . 1]" 1
48 1 4 PRO QG 1 5 VAL H . 2.510 3.509 2.840 2.817 2.866 . 0 0 "[ . 1]" 1
49 1 5 VAL H 1 5 VAL HA 2.703 2.461 2.741 2.838 2.837 2.840 0.099 9 0 "[ . 1]" 1
50 1 5 VAL H 1 5 VAL HB 2.683 2.153 3.520 3.664 3.660 3.667 0.147 5 0 "[ . 1]" 1
51 1 5 VAL H 1 5 VAL MG1 . 2.175 2.665 2.259 2.190 2.325 . 0 0 "[ . 1]" 1
52 1 5 VAL H 1 5 VAL MG2 2.468 2.067 2.721 2.510 2.470 2.545 . 0 0 "[ . 1]" 1
53 1 5 VAL H 1 6 CYS H 2.752 2.581 2.996 2.506 2.500 2.510 0.081 7 0 "[ . 1]" 1
54 1 5 VAL H 1 6 CYS HB2 4.740 2.976 5.789 4.721 4.695 4.738 . 0 0 "[ . 1]" 1
55 1 5 VAL H 1 7 VAL H 3.267 2.387 4.021 4.093 4.077 4.104 0.084 10 0 "[ . 1]" 1
56 1 5 VAL H 1 8 ALA MB 3.493 2.477 4.991 5.055 5.038 5.077 0.086 2 0 "[ . 1]" 1
57 1 5 VAL HA 1 5 VAL MG1 2.128 . 2.700 2.410 2.373 2.467 . 0 0 "[ . 1]" 1
58 1 5 VAL HA 1 6 CYS H 3.396 3.038 3.536 3.423 3.420 3.426 . 0 0 "[ . 1]" 1
59 1 5 VAL HA 1 7 VAL H 3.760 3.484 4.240 4.222 4.203 4.257 0.017 7 0 "[ . 1]" 1
60 1 5 VAL HA 1 8 ALA H . 3.323 3.798 3.478 3.452 3.498 . 0 0 "[ . 1]" 1
61 1 5 VAL HA 1 8 ALA MB 2.668 2.147 3.301 2.966 2.932 3.072 . 0 0 "[ . 1]" 1
62 1 5 VAL HA 1 9 GLN H . 3.838 3.963 3.794 3.782 3.808 0.056 10 0 "[ . 1]" 1
63 1 5 VAL HA 1 9 GLN QB 4.039 3.196 4.947 4.295 4.233 4.350 . 0 0 "[ . 1]" 1
64 1 5 VAL HA 1 11 VAL MG2 3.322 2.409 4.687 4.852 4.837 4.869 0.182 4 0 "[ . 1]" 1
65 1 5 VAL HB 1 5 VAL MG2 2.088 . 2.463 2.089 2.087 2.091 . 0 0 "[ . 1]" 1
66 1 5 VAL HB 1 6 CYS H 4.134 3.833 4.262 4.166 4.158 4.177 . 0 0 "[ . 1]" 1
67 1 5 VAL HB 1 11 VAL MG2 3.284 2.393 4.040 3.550 3.515 3.570 . 0 0 "[ . 1]" 1
68 1 5 VAL QG 1 7 VAL H 3.604 2.521 4.424 4.268 4.254 4.284 . 0 0 "[ . 1]" 1
69 1 5 VAL QG 1 9 GLN H 3.147 2.839 4.677 4.440 4.428 4.450 . 0 0 "[ . 1]" 1
70 1 5 VAL QG 1 9 GLN QB 2.827 . 4.292 4.023 3.977 4.069 . 0 0 "[ . 1]" 1
71 1 5 VAL QG 1 11 VAL H 4.062 3.705 4.810 4.502 4.409 4.555 . 0 0 "[ . 1]" 1
72 1 5 VAL MG1 1 6 CYS H 3.303 3.001 4.099 3.956 3.924 3.975 . 0 0 "[ . 1]" 1
73 1 5 VAL MG1 1 8 ALA H 4.617 2.927 5.641 5.279 5.243 5.300 . 0 0 "[ . 1]" 1
74 1 5 VAL MG1 1 9 GLN QE 3.354 2.222 4.525 3.561 2.906 4.049 . 0 0 "[ . 1]" 1
75 1 5 VAL MG2 1 6 CYS H 2.831 2.512 3.406 2.493 2.487 2.500 0.025 5 0 "[ . 1]" 1
76 1 5 VAL MG2 1 9 GLN H 3.504 3.233 4.599 4.677 4.656 4.695 0.096 5 0 "[ . 1]" 1
77 1 5 VAL MG2 1 9 GLN QE 3.765 2.786 5.081 3.888 3.214 4.301 . 0 0 "[ . 1]" 1
78 1 6 CYS H 1 6 CYS HA 2.963 2.565 3.256 2.873 2.870 2.875 . 0 0 "[ . 1]" 1
79 1 6 CYS H 1 6 CYS HB2 2.731 2.373 3.078 2.436 2.419 2.448 . 0 0 "[ . 1]" 1
80 1 6 CYS H 1 6 CYS QB 3.104 2.322 3.181 2.399 2.383 2.409 . 0 0 "[ . 1]" 1
81 1 6 CYS H 1 6 CYS HB3 3.425 2.750 3.910 3.588 3.580 3.592 . 0 0 "[ . 1]" 1
82 1 6 CYS H 1 7 VAL H . 2.598 2.879 2.410 2.404 2.415 0.194 4 0 "[ . 1]" 1
83 1 6 CYS H 1 7 VAL HA 4.065 2.706 5.179 5.026 5.021 5.033 . 0 0 "[ . 1]" 1
84 1 6 CYS H 1 7 VAL MG2 3.976 2.670 4.040 4.072 4.067 4.082 0.042 4 0 "[ . 1]" 1
85 1 6 CYS H 1 8 ALA H 3.738 3.375 4.386 3.993 3.936 4.015 . 0 0 "[ . 1]" 1
86 1 6 CYS HA 1 7 VAL H 2.913 2.745 3.596 3.507 3.502 3.510 . 0 0 "[ . 1]" 1
87 1 6 CYS HA 1 9 GLN H 3.000 2.680 3.600 3.234 3.200 3.252 . 0 0 "[ . 1]" 1
88 1 6 CYS HA 1 9 GLN QB 3.307 2.403 4.068 4.059 4.009 4.108 0.039 10 0 "[ . 1]" 1
89 1 6 CYS HA 1 11 VAL H 3.855 3.444 4.148 3.414 3.402 3.425 0.042 4 0 "[ . 1]" 1
90 1 6 CYS QB 1 18 CYS H 4.796 4.197 5.136 5.137 5.122 5.153 0.017 8 0 "[ . 1]" 1
91 1 6 CYS QB 1 18 CYS QB 3.418 2.895 3.889 2.776 2.755 2.790 0.139 4 0 "[ . 1]" 1
92 1 6 CYS HB2 1 7 VAL H 3.330 2.612 3.354 2.741 2.691 2.766 . 0 0 "[ . 1]" 1
93 1 6 CYS HB2 1 14 CYS HB3 3.450 2.460 4.240 4.248 4.235 4.259 0.019 1 0 "[ . 1]" 1
94 1 6 CYS HB3 1 7 VAL H 3.848 3.419 4.014 3.769 3.721 3.795 . 0 0 "[ . 1]" 1
95 1 6 CYS HB3 1 11 VAL H 4.062 3.405 5.574 5.075 5.026 5.113 . 0 0 "[ . 1]" 1
96 1 6 CYS HB3 1 14 CYS H 4.660 2.944 5.692 5.823 5.807 5.833 0.140 1 0 "[ . 1]" 1
97 1 6 CYS HB3 1 14 CYS HB3 2.913 2.245 3.596 2.797 2.779 2.810 . 0 0 "[ . 1]" 1
98 1 7 VAL H 1 7 VAL HA 2.716 2.466 2.767 2.792 2.786 2.795 0.027 3 0 "[ . 1]" 1
99 1 7 VAL H 1 7 VAL HB 2.601 2.341 2.673 2.299 2.296 2.305 0.045 6 0 "[ . 1]" 1
100 1 7 VAL H 1 7 VAL MG1 3.041 2.896 3.906 3.682 3.679 3.685 . 0 0 "[ . 1]" 1
101 1 7 VAL H 1 7 VAL MG2 . 2.293 2.486 2.437 2.403 2.459 . 0 0 "[ . 1]" 1
102 1 7 VAL H 1 8 ALA H 2.747 2.559 2.994 2.539 2.537 2.540 0.022 3 0 "[ . 1]" 1
103 1 7 VAL H 1 8 ALA HA 3.874 3.429 5.148 5.172 5.167 5.176 0.028 8 0 "[ . 1]" 1
104 1 7 VAL H 1 8 ALA MB 4.015 2.686 4.368 4.237 4.219 4.253 . 0 0 "[ . 1]" 1
105 1 7 VAL H 1 9 GLN H 3.749 3.479 4.017 3.778 3.752 3.813 . 0 0 "[ . 1]" 1
106 1 7 VAL H 1 20 PRO QD 3.990 2.676 4.888 4.945 4.923 4.975 0.087 5 0 "[ . 1]" 1
107 1 7 VAL HA 1 7 VAL MG1 2.086 . 2.503 2.519 2.498 2.563 0.060 8 0 "[ . 1]" 1
108 1 7 VAL HA 1 7 VAL MG2 2.124 . 2.549 2.183 2.162 2.214 . 0 0 "[ . 1]" 1
109 1 7 VAL HA 1 8 ALA H 2.868 2.527 3.499 3.500 3.492 3.504 0.006 4 0 "[ . 1]" 1
110 1 7 VAL HA 1 8 ALA MB 3.405 2.442 4.786 4.918 4.903 4.929 0.143 1 0 "[ . 1]" 1
111 1 7 VAL HA 1 9 GLN H 4.116 3.784 4.407 4.431 4.412 4.445 0.038 3 0 "[ . 1]" 1
112 1 7 VAL HB 1 8 ALA H 3.514 2.786 3.917 2.674 2.655 2.691 0.131 4 0 "[ . 1]" 1
113 1 7 VAL MG1 1 8 ALA H 3.337 2.815 3.659 3.315 3.237 3.363 . 0 0 "[ . 1]" 1
114 1 7 VAL MG2 1 8 ALA H 3.576 3.010 4.041 3.918 3.912 3.929 . 0 0 "[ . 1]" 1
115 1 7 VAL MG2 1 9 GLN H 3.690 2.556 5.128 5.281 5.268 5.298 0.170 3 0 "[ . 1]" 1
116 1 8 ALA H 1 8 ALA HA 3.027 2.291 3.132 2.889 2.886 2.893 . 0 0 "[ . 1]" 1
117 1 8 ALA H 1 8 ALA MB 2.616 2.126 3.005 2.191 2.153 2.226 . 0 0 "[ . 1]" 1
118 1 8 ALA H 1 9 GLN H 2.674 2.592 2.908 2.461 2.457 2.465 0.135 10 0 "[ . 1]" 1
119 1 8 ALA HA 1 9 GLN H 3.131 2.898 3.497 3.520 3.516 3.523 0.026 3 0 "[ . 1]" 1
120 1 8 ALA MB 1 9 GLN H 2.833 2.630 2.891 2.915 2.903 2.924 0.034 1 0 "[ . 1]" 1
121 1 8 ALA MB 1 9 GLN QE 3.591 2.416 4.192 3.740 2.991 4.217 0.025 6 0 "[ . 1]" 1
122 1 9 GLN H 1 9 GLN HA 2.311 2.004 2.873 2.912 2.908 2.915 0.042 8 0 "[ . 1]" 1
123 1 9 GLN H 1 9 GLN QB 2.536 2.094 3.143 2.895 2.815 2.954 . 0 0 "[ . 1]" 1
124 1 9 GLN H 1 9 GLN QG 3.022 2.289 3.726 2.852 2.746 3.026 . 0 0 "[ . 1]" 1
125 1 9 GLN H 1 9 GLN HG3 3.345 2.918 4.314 2.945 2.874 3.084 0.044 9 0 "[ . 1]" 1
126 1 9 GLN H 1 10 CYS H 3.483 3.215 4.268 4.279 4.268 4.294 0.026 7 0 "[ . 1]" 1
127 1 9 GLN H 1 10 CYS HA 4.264 3.917 5.257 4.691 4.667 4.703 . 0 0 "[ . 1]" 1
128 1 9 GLN H 1 11 VAL H 3.805 2.602 5.166 4.803 4.757 4.868 . 0 0 "[ . 1]" 1
129 1 9 GLN H 1 11 VAL MG1 3.737 3.444 5.225 5.244 5.234 5.250 0.025 1 0 "[ . 1]" 1
130 1 9 GLN H 1 11 VAL MG2 4.752 4.357 5.342 4.474 4.427 4.568 . 0 0 "[ . 1]" 1
131 1 9 GLN H 1 20 PRO HD2 4.732 4.339 5.418 5.428 5.409 5.442 0.024 10 0 "[ . 1]" 1
132 1 9 GLN H 1 20 PRO QD 3.987 2.675 4.884 4.796 4.759 4.826 . 0 0 "[ . 1]" 1
133 1 9 GLN HA 1 9 GLN QB 2.418 2.247 2.602 2.274 2.245 2.323 0.002 10 0 "[ . 1]" 1
134 1 9 GLN HA 1 9 GLN QE 3.796 2.798 5.155 4.632 4.147 4.868 . 0 0 "[ . 1]" 1
135 1 9 GLN HA 1 9 GLN HG2 2.949 2.559 3.838 2.893 2.682 3.478 . 0 0 "[ . 1]" 1
136 1 9 GLN HA 1 9 GLN HG3 2.986 2.674 3.883 3.179 2.705 3.573 . 0 0 "[ . 1]" 1
137 1 9 GLN HA 1 10 CYS H 2.378 2.220 2.881 2.184 2.179 2.189 0.041 9 0 "[ . 1]" 1
138 1 9 GLN HA 1 11 VAL H 3.769 2.588 5.223 4.741 4.665 4.834 . 0 0 "[ . 1]" 1
139 1 9 GLN QB 1 10 CYS H 3.431 2.468 3.858 3.018 2.920 3.072 . 0 0 "[ . 1]" 1
140 1 9 GLN QB 1 11 VAL MG1 2.390 2.036 3.768 2.560 2.509 2.589 . 0 0 "[ . 1]" 1
141 1 9 GLN QB 1 11 VAL MG2 2.718 2.167 4.062 2.837 2.690 2.942 . 0 0 "[ . 1]" 1
142 1 9 GLN HB2 1 10 CYS H 3.100 2.320 3.920 3.905 3.828 3.951 0.032 7 0 "[ . 1]" 1
143 1 9 GLN HB2 1 11 VAL H . 3.478 3.993 3.600 3.493 3.666 . 0 0 "[ . 1]" 1
144 1 9 GLN HB3 1 11 VAL H 4.130 3.129 4.646 4.170 3.915 4.419 . 0 0 "[ . 1]" 1
145 1 9 GLN QE 1 9 GLN QG 2.872 2.326 3.746 2.368 2.284 2.546 0.042 8 0 "[ . 1]" 1
146 1 9 GLN QE 1 11 VAL MG1 4.543 3.297 5.951 3.445 3.286 3.738 0.011 8 0 "[ . 1]" 1
147 1 9 GLN QG 1 10 CYS H 4.236 3.493 4.670 4.340 4.143 4.442 . 0 0 "[ . 1]" 1
148 1 9 GLN QG 1 11 VAL H 4.655 3.050 5.309 5.396 5.364 5.427 0.119 3 0 "[ . 1]" 1
149 1 10 CYS H 1 10 CYS HA 2.862 2.655 3.174 2.901 2.899 2.903 . 0 0 "[ . 1]" 1
150 1 10 CYS H 1 10 CYS HB2 2.742 2.548 2.862 2.541 2.532 2.549 0.016 6 0 "[ . 1]" 1
151 1 10 CYS H 1 10 CYS HB3 2.940 2.526 3.031 2.634 2.610 2.646 . 0 0 "[ . 1]" 1
152 1 10 CYS H 1 11 VAL H 3.486 3.218 3.924 3.757 3.713 3.816 . 0 0 "[ . 1]" 1
153 1 10 CYS H 1 11 VAL MG1 3.641 3.257 4.642 4.488 4.409 4.538 . 0 0 "[ . 1]" 1
154 1 10 CYS H 1 11 VAL MG2 4.241 3.896 4.829 4.767 4.727 4.828 . 0 0 "[ . 1]" 1
155 1 10 CYS H 1 20 PRO HD2 4.887 4.179 5.605 4.568 4.515 4.642 . 0 0 "[ . 1]" 1
156 1 10 CYS HA 1 11 VAL H 2.445 2.058 3.034 2.432 2.410 2.455 . 0 0 "[ . 1]" 1
157 1 10 CYS HA 1 14 CYS QB 3.348 2.419 4.117 3.429 3.387 3.452 . 0 0 "[ . 1]" 1
158 1 10 CYS QB 1 11 VAL H . 2.885 4.206 4.039 4.033 4.045 . 0 0 "[ . 1]" 1
159 1 10 CYS HB2 1 19 CYS HB2 3.826 3.521 4.217 4.227 4.215 4.239 0.022 10 0 "[ . 1]" 1
160 1 10 CYS HB2 1 20 PRO HD2 3.286 2.895 4.344 2.983 2.927 3.026 . 0 0 "[ . 1]" 1
161 1 10 CYS HB2 1 20 PRO HD3 3.547 3.199 4.657 4.630 4.556 4.670 0.013 2 0 "[ . 1]" 1
162 1 11 VAL H 1 11 VAL HA 2.310 2.004 2.872 2.861 2.856 2.870 . 0 0 "[ . 1]" 1
163 1 11 VAL H 1 11 VAL HB . 2.520 3.521 3.551 3.540 3.558 0.036 10 0 "[ . 1]" 1
164 1 11 VAL H 1 11 VAL MG1 2.546 2.099 2.877 2.894 2.879 2.916 0.039 1 0 "[ . 1]" 1
165 1 11 VAL H 1 11 VAL MG2 2.227 . 2.277 1.920 1.908 1.931 0.063 1 0 "[ . 1]" 1
166 1 11 VAL H 1 12 PRO HD2 4.337 2.815 5.504 5.132 4.823 5.174 . 0 0 "[ . 1]" 1
167 1 11 VAL H 1 12 PRO QD 3.700 2.560 4.268 4.350 4.342 4.378 0.110 5 0 "[ . 1]" 1
168 1 11 VAL H 1 12 PRO HD3 4.155 2.742 5.086 4.711 4.664 5.018 . 0 0 "[ . 1]" 1
169 1 11 VAL H 1 14 CYS H 3.904 3.142 4.016 4.130 4.100 4.151 0.135 8 0 "[ . 1]" 1
170 1 11 VAL H 1 14 CYS HB2 3.463 2.465 3.536 3.178 3.098 3.224 . 0 0 "[ . 1]" 1
171 1 11 VAL H 1 14 CYS HB3 4.312 2.805 4.368 4.335 4.266 4.374 0.006 3 0 "[ . 1]" 1
172 1 11 VAL H 1 19 CYS HB2 3.957 3.063 5.648 5.695 5.681 5.719 0.071 4 0 "[ . 1]" 1
173 1 11 VAL HA 1 12 PRO QD . 2.002 2.459 1.995 1.966 2.196 0.036 8 0 "[ . 1]" 1
174 1 11 VAL HA 1 13 THR H 4.149 3.440 4.646 4.289 4.237 4.314 . 0 0 "[ . 1]" 1
175 1 11 VAL HB 1 11 VAL MG1 2.155 . 2.685 2.116 2.111 2.118 . 0 0 "[ . 1]" 1
176 1 11 VAL HB 1 11 VAL MG2 2.044 . 2.553 2.110 2.106 2.115 . 0 0 "[ . 1]" 1
177 1 11 VAL HB 1 12 PRO HD2 2.191 . 2.729 2.032 1.857 2.072 0.100 5 0 "[ . 1]" 1
178 1 11 VAL HB 1 12 PRO HD3 2.418 2.047 3.102 2.763 2.672 3.187 0.085 5 0 "[ . 1]" 1
179 1 11 VAL HB 1 13 THR H 3.580 2.543 4.396 2.523 2.512 2.534 0.031 5 0 "[ . 1]" 1
180 1 11 VAL HB 1 14 CYS H 4.684 2.954 5.721 3.637 3.608 3.678 . 0 0 "[ . 1]" 1
181 1 11 VAL MG1 1 12 PRO QD 2.662 2.145 3.294 2.381 2.332 2.451 . 0 0 "[ . 1]" 1
182 1 11 VAL MG1 1 13 THR H 3.984 2.674 4.857 4.156 4.144 4.165 . 0 0 "[ . 1]" 1
183 1 11 VAL MG1 1 14 CYS H 4.095 2.718 4.745 4.849 4.841 4.860 0.115 7 0 "[ . 1]" 1
184 1 11 VAL MG2 1 12 PRO QD 2.996 2.279 3.459 3.477 3.463 3.495 0.036 8 0 "[ . 1]" 1
185 1 11 VAL MG2 1 13 THR H 2.775 2.212 3.430 3.155 3.087 3.198 . 0 0 "[ . 1]" 1
186 1 11 VAL MG2 1 14 CYS H 2.890 2.236 2.899 2.612 2.565 2.654 . 0 0 "[ . 1]" 1
187 1 11 VAL MG2 1 14 CYS QB 3.041 2.296 4.149 2.670 2.619 2.717 . 0 0 "[ . 1]" 1
188 1 12 PRO HA 1 13 THR H 3.294 2.998 3.553 3.478 3.457 3.489 . 0 0 "[ . 1]" 1
189 1 12 PRO HA 1 14 CYS H 3.695 3.358 3.852 3.968 3.933 3.986 0.134 3 0 "[ . 1]" 1
190 1 12 PRO QB 1 13 THR H 3.670 2.848 4.467 3.085 3.013 3.434 . 0 0 "[ . 1]" 1
191 1 12 PRO QD 1 12 PRO QG 2.262 . 2.814 1.973 1.955 1.977 0.030 5 0 "[ . 1]" 1
192 1 12 PRO QD 1 13 THR H 3.736 2.575 4.584 2.572 2.552 2.720 0.023 4 0 "[ . 1]" 1
193 1 12 PRO QD 1 13 THR MG 3.355 2.422 4.126 3.781 3.661 4.049 . 0 0 "[ . 1]" 1
194 1 12 PRO HD2 1 13 THR H 3.544 2.498 4.353 2.612 2.590 2.771 . 0 0 "[ . 1]" 1
195 1 12 PRO HD3 1 13 THR H 4.233 2.773 5.179 3.853 3.830 3.953 . 0 0 "[ . 1]" 1
196 1 13 THR H 1 13 THR HA 2.826 2.211 3.491 2.869 2.865 2.875 . 0 0 "[ . 1]" 1
197 1 13 THR H 1 13 THR HB 3.660 2.544 4.290 3.557 3.541 3.581 . 0 0 "[ . 1]" 1
198 1 13 THR H 1 13 THR MG 2.743 2.196 3.392 2.763 2.684 2.812 . 0 0 "[ . 1]" 1
199 1 13 THR H 1 14 CYS H 2.651 2.340 2.881 2.360 2.331 2.390 0.010 5 0 "[ . 1]" 1
200 1 13 THR HA 1 14 CYS H 3.222 2.969 3.262 3.408 3.404 3.411 0.150 9 0 "[ . 1]" 1
201 1 13 THR HB 1 14 CYS H 3.961 3.565 3.983 3.816 3.770 3.860 . 0 0 "[ . 1]" 1
202 1 13 THR MG 1 14 CYS H 3.772 2.589 4.168 4.198 4.184 4.209 0.041 5 0 "[ . 1]" 1
203 1 14 CYS H 1 14 CYS HA 2.935 2.254 3.238 2.813 2.808 2.819 . 0 0 "[ . 1]" 1
204 1 14 CYS H 1 14 CYS HB2 2.578 2.111 2.764 2.219 2.208 2.227 . 0 0 "[ . 1]" 1
205 1 14 CYS H 1 14 CYS HB3 3.274 2.389 3.373 3.491 3.485 3.495 0.123 6 0 "[ . 1]" 1
206 1 14 CYS H 1 15 PRO HD2 3.928 2.651 4.813 4.762 4.756 4.772 . 0 0 "[ . 1]" 1
207 1 14 CYS H 1 15 PRO QD 4.692 2.957 5.731 4.378 4.374 4.381 . 0 0 "[ . 1]" 1
208 1 14 CYS HA 1 15 PRO QD 2.501 2.080 3.022 2.049 2.041 2.059 0.039 7 0 "[ . 1]" 1
209 1 14 CYS QB 1 15 PRO QD 3.137 2.474 3.512 2.434 2.418 2.442 0.057 5 0 "[ . 1]" 1
210 1 14 CYS HB3 1 15 PRO QD 2.919 2.248 3.603 2.462 2.445 2.471 . 0 0 "[ . 1]" 1
211 1 14 CYS HB3 1 16 GLN H 4.812 4.410 5.514 5.591 5.580 5.602 0.088 8 0 "[ . 1]" 1
212 1 14 CYS HB3 1 18 CYS H 4.582 4.025 4.911 4.956 4.942 4.974 0.063 4 0 "[ . 1]" 1
213 1 14 CYS HB3 1 18 CYS HB2 2.756 2.182 3.661 3.690 3.676 3.700 0.039 10 0 "[ . 1]" 1
214 1 15 PRO HA 1 16 GLN H 2.312 2.061 2.614 2.100 2.095 2.107 . 0 0 "[ . 1]" 1
215 1 15 PRO HA 1 17 TYR H 4.094 3.765 4.253 3.981 3.968 3.989 . 0 0 "[ . 1]" 1
216 1 15 PRO HA 1 17 TYR QD 4.494 3.955 4.818 4.904 4.892 4.912 0.094 10 0 "[ . 1]" 1
217 1 15 PRO HA 1 17 TYR QE 4.358 3.847 4.676 4.576 4.554 4.590 . 0 0 "[ . 1]" 1
218 1 15 PRO HA 1 18 CYS H 4.452 4.178 4.883 4.544 4.535 4.555 . 0 0 "[ . 1]" 1
219 1 15 PRO QB 1 15 PRO QD 2.972 2.269 3.667 2.631 2.626 2.636 . 0 0 "[ . 1]" 1
220 1 15 PRO QB 1 16 GLN H 2.899 2.677 3.578 3.257 3.251 3.264 . 0 0 "[ . 1]" 1
221 1 15 PRO QB 1 17 TYR QD 3.905 3.384 4.300 3.323 3.320 3.326 0.064 1 0 "[ . 1]" 1
222 1 15 PRO QB 1 17 TYR QE 3.393 3.074 3.662 2.960 2.952 2.971 0.122 4 0 "[ . 1]" 1
223 1 15 PRO HB2 1 16 GLN H 3.861 3.555 4.373 3.451 3.443 3.458 0.112 4 0 "[ . 1]" 1
224 1 15 PRO HB2 1 17 TYR H 3.504 3.123 4.058 3.012 3.004 3.021 0.119 6 0 "[ . 1]" 1
225 1 15 PRO HB2 1 17 TYR QD 3.772 3.275 3.787 3.410 3.408 3.413 . 0 0 "[ . 1]" 1
226 1 15 PRO HB2 1 17 TYR QE 3.743 3.223 3.858 3.142 3.135 3.153 0.089 4 0 "[ . 1]" 1
227 1 15 PRO HB2 1 18 CYS H 3.396 3.136 3.646 3.089 3.082 3.097 0.054 1 0 "[ . 1]" 1
228 1 15 PRO HB3 1 17 TYR QD 4.121 3.789 4.686 4.589 4.582 4.598 . 0 0 "[ . 1]" 1
229 1 15 PRO HB3 1 17 TYR QE 3.721 3.429 4.705 3.615 3.602 3.631 . 0 0 "[ . 1]" 1
230 1 15 PRO HB3 1 18 CYS H 4.015 3.372 4.516 4.650 4.645 4.658 0.142 10 0 "[ . 1]" 1
231 1 15 PRO QD 1 16 GLN H 4.780 4.382 5.244 4.909 4.905 4.914 . 0 0 "[ . 1]" 1
232 1 15 PRO QD 1 17 TYR QD 4.602 3.742 5.433 5.616 5.612 5.624 0.192 1 0 "[ . 1]" 1
233 1 15 PRO QD 1 18 CYS H 4.185 3.747 4.762 4.395 4.390 4.401 . 0 0 "[ . 1]" 1
234 1 15 PRO QD 1 18 CYS HB2 3.374 3.059 3.643 2.937 2.929 2.947 0.130 10 0 "[ . 1]" 1
235 1 15 PRO QD 1 18 CYS HB3 3.909 3.487 4.204 4.103 4.093 4.117 . 0 0 "[ . 1]" 1
236 1 15 PRO HD2 1 18 CYS H 4.190 3.712 4.499 4.619 4.613 4.626 0.127 1 0 "[ . 1]" 1
237 1 15 PRO QG 1 16 GLN H 3.500 3.230 4.321 4.460 4.454 4.463 0.142 1 0 "[ . 1]" 1
238 1 15 PRO QG 1 17 TYR H 3.790 3.491 4.137 4.183 4.176 4.191 0.054 1 0 "[ . 1]" 1
239 1 15 PRO QG 1 17 TYR QD 3.817 3.515 3.835 3.879 3.873 3.886 0.051 1 0 "[ . 1]" 1
240 1 15 PRO QG 1 17 TYR QE 3.431 3.168 3.533 3.366 3.350 3.387 . 0 0 "[ . 1]" 1
241 1 15 PRO QG 1 18 CYS H 4.066 2.813 4.669 2.714 2.707 2.722 0.106 3 0 "[ . 1]" 1
242 1 16 GLN H 1 16 GLN HA 2.868 2.661 3.181 2.735 2.733 2.737 . 0 0 "[ . 1]" 1
243 1 16 GLN H 1 16 GLN QB 2.603 2.323 2.864 2.232 2.214 2.241 0.109 4 0 "[ . 1]" 1
244 1 16 GLN H 1 16 GLN QG 3.493 3.224 3.932 3.992 3.973 4.027 0.095 6 0 "[ . 1]" 1
245 1 16 GLN H 1 17 TYR H 2.926 2.620 3.152 2.813 2.802 2.817 . 0 0 "[ . 1]" 1
246 1 16 GLN H 1 17 TYR QD 4.577 4.099 5.333 4.215 4.190 4.224 . 0 0 "[ . 1]" 1
247 1 16 GLN H 1 17 TYR QE 4.913 4.502 5.636 4.782 4.752 4.808 . 0 0 "[ . 1]" 1
248 1 16 GLN H 1 18 CYS H 4.359 4.003 4.571 4.168 4.158 4.175 . 0 0 "[ . 1]" 1
249 1 16 GLN H 1 18 CYS HB2 4.732 4.339 5.518 5.589 5.573 5.600 0.082 7 0 "[ . 1]" 1
250 1 16 GLN HA 1 16 GLN QE 3.530 2.748 4.636 3.108 2.754 3.905 . 0 0 "[ . 1]" 1
251 1 16 GLN HA 1 17 TYR H 3.294 3.145 3.493 3.488 3.480 3.492 . 0 0 "[ . 1]" 1
252 1 16 GLN HA 1 17 TYR QD 3.891 2.919 5.369 5.506 5.485 5.515 0.146 6 0 "[ . 1]" 1
253 1 16 GLN HA 1 18 CYS H 3.655 3.470 3.826 3.843 3.839 3.854 0.028 4 0 "[ . 1]" 1
254 1 16 GLN HA 1 19 CYS H 3.438 3.274 3.551 3.387 3.360 3.426 . 0 0 "[ . 1]" 1
255 1 16 GLN QB 1 17 TYR QD 4.232 3.746 4.544 3.742 3.717 3.763 0.029 4 0 "[ . 1]" 1
256 1 16 GLN HB2 1 17 TYR H 3.329 3.023 3.795 3.935 3.919 4.017 0.222 4 0 "[ . 1]" 1
257 1 16 GLN HB3 1 17 TYR H 3.438 2.911 3.810 2.780 2.776 2.791 0.134 5 0 "[ . 1]" 1
258 1 16 GLN QE 1 16 GLN QG 3.087 2.539 3.959 2.560 2.453 2.651 0.086 4 0 "[ . 1]" 1
259 1 16 GLN QE 1 19 CYS QB 4.048 2.993 4.940 4.656 4.398 5.011 0.071 4 0 "[ . 1]" 1
260 1 16 GLN QG 1 17 TYR H 4.245 3.900 4.545 3.827 3.799 3.841 0.101 4 0 "[ . 1]" 1
261 1 16 GLN QG 1 17 TYR QD 4.478 3.843 4.902 5.024 5.003 5.143 0.241 4 0 "[ . 1]" 1
262 1 17 TYR H 1 17 TYR HA 2.825 2.660 3.118 2.823 2.821 2.826 . 0 0 "[ . 1]" 1
263 1 17 TYR H 1 17 TYR HB2 3.393 3.134 3.619 3.600 3.597 3.611 . 0 0 "[ . 1]" 1
264 1 17 TYR H 1 17 TYR HB3 2.949 2.734 3.156 2.831 2.822 2.845 . 0 0 "[ . 1]" 1
265 1 17 TYR H 1 17 TYR QD 2.922 2.635 3.086 2.490 2.463 2.498 0.172 4 0 "[ . 1]" 1
266 1 17 TYR H 1 18 CYS H 2.651 2.481 2.883 2.637 2.628 2.648 . 0 0 "[ . 1]" 1
267 1 17 TYR HA 1 17 TYR QD 3.335 3.081 3.660 3.734 3.726 3.735 0.076 8 0 "[ . 1]" 1
268 1 17 TYR HA 1 18 CYS H 3.285 2.988 3.549 3.395 3.389 3.400 . 0 0 "[ . 1]" 1
269 1 17 TYR HA 1 19 CYS H 3.602 3.242 3.882 3.984 3.965 3.999 0.117 3 0 "[ . 1]" 1
270 1 17 TYR QB 1 17 TYR QE . 3.775 3.863 3.926 3.924 3.928 0.065 2 0 "[ . 1]" 1
271 1 17 TYR QB 1 18 CYS H 4.306 3.755 5.107 3.740 3.729 3.746 0.026 4 0 "[ . 1]" 1
272 1 17 TYR HB2 1 18 CYS H 4.128 3.662 4.434 4.046 4.031 4.052 . 0 0 "[ . 1]" 1
273 1 17 TYR HB3 1 18 CYS H 4.322 3.817 4.638 4.402 4.395 4.413 . 0 0 "[ . 1]" 1
274 1 17 TYR QD 1 18 CYS H 3.732 3.439 4.318 3.398 3.384 3.409 0.054 3 0 "[ . 1]" 1
275 1 17 TYR QD 1 18 CYS HA 3.882 3.466 4.176 3.532 3.502 3.556 . 0 0 "[ . 1]" 1
276 1 17 TYR QD 1 18 CYS HB2 4.109 3.778 4.671 4.419 4.398 4.445 . 0 0 "[ . 1]" 1
277 1 18 CYS H 1 18 CYS HA 2.994 2.905 3.333 2.930 2.927 2.933 . 0 0 "[ . 1]" 1
278 1 18 CYS H 1 18 CYS HB2 2.626 2.498 2.891 2.438 2.431 2.446 0.067 9 0 "[ . 1]" 1
279 1 18 CYS H 1 18 CYS HB3 3.322 3.084 3.675 3.638 3.634 3.643 . 0 0 "[ . 1]" 1
280 1 18 CYS H 1 19 CYS H 2.471 2.337 2.694 2.254 2.243 2.264 0.093 3 0 "[ . 1]" 1
281 1 18 CYS H 1 19 CYS HB2 . 3.794 4.607 4.568 4.533 4.586 . 0 0 "[ . 1]" 1
282 1 18 CYS H 1 19 CYS HB3 4.507 3.966 4.833 4.623 4.605 4.643 . 0 0 "[ . 1]" 1
283 1 18 CYS HA 1 19 CYS H 3.310 3.223 3.512 3.421 3.413 3.424 . 0 0 "[ . 1]" 1
284 1 18 CYS HB2 1 19 CYS H 3.490 3.199 3.826 3.195 3.182 3.213 0.016 3 0 "[ . 1]" 1
285 1 18 CYS HB3 1 19 CYS H 4.205 3.801 4.617 4.042 4.024 4.065 . 0 0 "[ . 1]" 1
286 1 19 CYS H 1 19 CYS HA 2.814 2.512 3.117 2.806 2.796 2.813 . 0 0 "[ . 1]" 1
287 1 19 CYS H 1 19 CYS HB2 2.722 2.430 2.976 2.628 2.595 2.657 . 0 0 "[ . 1]" 1
288 1 19 CYS H 1 19 CYS HB3 3.077 2.649 3.203 2.566 2.559 2.574 0.090 7 0 "[ . 1]" 1
289 1 19 CYS H 1 20 PRO HA 4.635 4.068 5.466 5.519 5.514 5.531 0.064 1 0 "[ . 1]" 1
290 1 19 CYS H 1 20 PRO HD2 4.479 4.111 5.115 5.016 5.009 5.022 . 0 0 "[ . 1]" 1
291 1 19 CYS H 1 20 PRO QD 4.018 3.574 4.318 4.328 4.309 4.336 0.018 9 0 "[ . 1]" 1
292 1 19 CYS HA 1 20 PRO HD2 3.169 2.395 3.327 2.313 2.307 2.318 0.088 8 0 "[ . 1]" 1
293 1 19 CYS HA 1 20 PRO HD3 3.209 2.427 3.370 2.280 2.271 2.289 0.156 4 0 "[ . 1]" 1
294 1 19 CYS QB 1 20 PRO HD2 2.740 2.176 3.588 3.718 3.697 3.744 0.156 4 0 "[ . 1]" 1
295 1 19 CYS QB 1 20 PRO QD 3.221 2.369 4.366 3.501 3.487 3.518 . 0 0 "[ . 1]" 1
296 1 19 CYS QB 1 20 PRO HD3 3.014 2.353 4.217 4.272 4.266 4.277 0.060 8 0 "[ . 1]" 1
297 1 19 CYS HB2 1 21 ALA H 4.991 4.776 6.789 6.144 6.101 6.194 . 0 0 "[ . 1]" 1
298 1 19 CYS HB3 1 21 ALA H 4.491 4.276 4.989 4.820 4.763 4.866 . 0 0 "[ . 1]" 1
299 1 20 PRO HA 1 21 ALA H 2.404 2.242 2.410 2.199 2.191 2.205 0.051 9 0 "[ . 1]" 1
300 1 20 PRO HA 1 22 LYS H 4.315 4.112 5.431 5.501 5.480 5.516 0.086 5 0 "[ . 1]" 1
301 1 20 PRO QB 1 20 PRO QD 2.766 2.186 3.419 2.791 2.782 2.799 . 0 0 "[ . 1]" 1
302 1 20 PRO QB 1 22 LYS H 4.471 3.669 5.166 4.829 4.775 4.944 . 0 0 "[ . 1]" 1
303 1 20 PRO HB2 1 21 ALA H 3.660 3.392 4.017 4.036 4.028 4.051 0.033 9 0 "[ . 1]" 1
304 1 20 PRO HB3 1 21 ALA H 3.876 3.392 4.317 4.381 4.373 4.387 0.070 7 0 "[ . 1]" 1
305 1 20 PRO QD 1 21 ALA H 4.547 3.998 4.685 4.610 4.597 4.623 . 0 0 "[ . 1]" 1
306 1 20 PRO HD2 1 21 ALA H 3.908 2.943 4.990 5.037 5.028 5.052 0.063 4 0 "[ . 1]" 1
307 1 20 PRO HD3 1 21 ALA H 4.676 3.950 5.511 5.343 5.313 5.360 . 0 0 "[ . 1]" 1
308 1 20 PRO QG 1 21 ALA H 4.298 3.777 4.985 4.649 4.637 4.669 . 0 0 "[ . 1]" 1
309 1 21 ALA H 1 21 ALA HA 2.842 2.786 3.039 2.883 2.840 2.944 . 0 0 "[ . 1]" 1
310 1 21 ALA H 1 21 ALA MB 2.456 2.132 2.557 2.285 2.259 2.329 . 0 0 "[ . 1]" 1
311 1 21 ALA H 1 22 LYS H 4.324 4.119 4.657 4.321 4.256 4.346 . 0 0 "[ . 1]" 1
312 1 21 ALA HA 1 22 LYS H 2.387 . 2.496 2.083 2.038 2.109 . 0 0 "[ . 1]" 1
313 1 21 ALA MB 1 22 LYS H 2.989 2.776 3.156 3.276 3.260 3.305 0.149 10 0 "[ . 1]" 1
314 1 21 ALA MB 1 23 ARG H 4.298 3.799 4.958 3.893 3.774 4.131 0.025 3 0 "[ . 1]" 1
315 1 22 LYS H 1 22 LYS HA . 2.732 2.884 2.851 2.770 2.920 0.036 7 0 "[ . 1]" 1
316 1 22 LYS H 1 22 LYS QB 2.897 2.478 3.342 2.404 2.279 2.501 0.199 7 0 "[ . 1]" 1
317 1 22 LYS H 1 22 LYS QG 2.815 2.712 3.656 2.767 2.657 3.426 0.055 6 0 "[ . 1]" 1
318 1 22 LYS H 1 23 ARG H 4.374 4.139 4.807 4.059 4.004 4.121 0.135 10 0 "[ . 1]" 1
319 1 22 LYS HA 1 23 ARG H 2.567 2.014 2.846 2.382 2.332 2.430 . 0 0 "[ . 1]" 1
320 1 22 LYS QB 1 23 ARG H 4.255 4.024 4.853 3.896 3.885 3.917 0.139 8 0 "[ . 1]" 1
321 1 23 ARG H 1 23 ARG HA 2.897 2.794 3.126 2.794 2.760 2.812 0.033 3 0 "[ . 1]" 1
322 1 23 ARG H 1 23 ARG QB 3.679 2.903 3.904 2.988 2.950 3.043 . 0 0 "[ . 1]" 1
323 1 23 ARG H 1 23 ARG QG 3.736 3.349 4.323 4.278 4.212 4.352 0.029 6 0 "[ . 1]" 1
324 1 23 ARG H 1 24 LYS H 4.522 4.057 4.803 4.274 4.191 4.346 . 0 0 "[ . 1]" 1
325 1 23 ARG HA 1 24 LYS H 2.293 . 2.507 2.340 2.231 2.469 . 0 0 "[ . 1]" 1
326 1 23 ARG HB2 1 24 LYS H 3.488 3.151 3.963 3.925 3.806 3.985 0.022 5 0 "[ . 1]" 1
327 1 23 ARG HB3 1 24 LYS H 3.431 3.105 3.903 3.634 3.304 3.881 . 0 0 "[ . 1]" 1
328 1 24 LYS H 1 24 LYS HA 3.222 2.838 3.483 2.798 2.774 2.822 0.063 6 0 "[ . 1]" 1
329 1 24 LYS H 1 24 LYS QB . 3.466 4.169 3.403 3.342 3.476 0.124 6 0 "[ . 1]" 1
330 1 24 LYS H 1 24 LYS QG 3.540 3.192 3.846 3.142 3.099 3.187 0.093 3 0 "[ . 1]" 1
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