NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
643942 |
6nl3   |
30556 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6nl3
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 538
_Distance_constraint_stats_list.Viol_count 1329
_Distance_constraint_stats_list.Viol_total 2268.322
_Distance_constraint_stats_list.Viol_max 0.427
_Distance_constraint_stats_list.Viol_rms 0.0386
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.0853
_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 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.090 0.054 18 0 "[ . 1 . 2]"
1 12 GLN 3.968 0.268 18 0 "[ . 1 . 2]"
1 13 VAL 5.687 0.239 3 0 "[ . 1 . 2]"
1 14 CYS 0.919 0.153 18 0 "[ . 1 . 2]"
1 15 TRP 0.043 0.042 13 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 2.318 0.150 7 0 "[ . 1 . 2]"
1 18 ARG 3.030 0.192 9 0 "[ . 1 . 2]"
1 19 ASP 0.204 0.077 18 0 "[ . 1 . 2]"
1 20 GLU 5.135 0.317 16 0 "[ . 1 . 2]"
1 21 TYR 0.143 0.143 20 0 "[ . 1 . 2]"
1 22 TRP 1.417 0.216 12 0 "[ . 1 . 2]"
1 24 CYS 1.436 0.225 18 0 "[ . 1 . 2]"
1 25 LEU 6.484 0.310 16 0 "[ . 1 . 2]"
1 26 ASP 1.302 0.169 15 0 "[ . 1 . 2]"
1 27 GLU 10.616 0.381 19 0 "[ . 1 . 2]"
1 28 ASN 5.595 0.246 20 0 "[ . 1 . 2]"
1 29 LEU 7.891 0.381 19 0 "[ . 1 . 2]"
1 30 GLU 1.698 0.270 3 0 "[ . 1 . 2]"
1 31 ASP 5.482 0.207 3 0 "[ . 1 . 2]"
1 32 ALA 9.925 0.401 7 0 "[ . 1 . 2]"
1 33 SER 0.960 0.172 3 0 "[ . 1 . 2]"
1 34 GLN 1.158 0.106 7 0 "[ . 1 . 2]"
1 35 CYS 4.505 0.419 12 0 "[ . 1 . 2]"
1 36 LYS 0.946 0.210 16 0 "[ . 1 . 2]"
1 37 LYS 0.356 0.141 10 0 "[ . 1 . 2]"
1 38 LEU 8.179 0.283 5 0 "[ . 1 . 2]"
1 39 ARG 5.474 0.419 12 0 "[ . 1 . 2]"
1 40 SER 1.527 0.261 5 0 "[ . 1 . 2]"
1 41 SER 0.295 0.283 5 0 "[ . 1 . 2]"
1 42 PHE 3.067 0.168 8 0 "[ . 1 . 2]"
1 43 GLU 7.385 0.373 8 0 "[ . 1 . 2]"
1 44 SER 6.753 0.373 8 0 "[ . 1 . 2]"
1 45 SER 3.684 0.276 6 0 "[ . 1 . 2]"
1 46 CYS 4.532 0.187 20 0 "[ . 1 . 2]"
1 47 PRO 0.034 0.034 10 0 "[ . 1 . 2]"
1 48 GLN 7.706 0.304 4 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 TRP 2.012 0.311 6 0 "[ . 1 . 2]"
1 51 ILE 8.913 0.291 10 0 "[ . 1 . 2]"
1 52 LYS 5.689 0.304 4 0 "[ . 1 . 2]"
1 53 TYR 2.917 0.271 14 0 "[ . 1 . 2]"
1 54 PHE 2.247 0.311 6 0 "[ . 1 . 2]"
1 55 ASP 0.133 0.071 5 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ARG 0.049 0.049 20 0 "[ . 1 . 2]"
1 59 ASP 2.912 0.212 17 0 "[ . 1 . 2]"
1 60 TYR 11.025 0.310 16 0 "[ . 1 . 2]"
1 61 LEU 19.127 0.401 7 0 "[ . 1 . 2]"
1 62 LYS 10.446 0.349 8 0 "[ . 1 . 2]"
1 63 PHE 5.006 0.292 8 0 "[ . 1 . 2]"
1 64 LYS 1.537 0.302 2 0 "[ . 1 . 2]"
1 66 LYS 1.537 0.302 2 0 "[ . 1 . 2]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.045 0.028 16 0 "[ . 1 . 2]"
1 70 GLY 0.045 0.028 16 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.177 0.105 5 0 "[ . 1 . 2]"
1 73 GLU 0.177 0.105 5 0 "[ . 1 . 2]"
1 74 PRO 4.591 0.427 12 0 "[ . 1 . 2]"
1 75 SER 4.850 0.427 12 0 "[ . 1 . 2]"
1 76 GLU 0.309 0.154 16 0 "[ . 1 . 2]"
1 77 THR 0.749 0.218 4 0 "[ . 1 . 2]"
1 78 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 1.110 0.218 4 0 "[ . 1 . 2]"
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 71 GLN HE22 1 71 GLN QG 3.820 . 3.820 3.297 3.203 3.495 . 0 0 "[ . 1 . 2]" 1
2 1 51 ILE H 1 53 TYR H 4.180 . 4.180 3.961 3.835 4.051 . 0 0 "[ . 1 . 2]" 1
3 1 53 TYR H 1 53 TYR HB3 3.780 . 3.780 2.563 2.360 3.651 . 0 0 "[ . 1 . 2]" 1
4 1 30 GLU H 1 31 ASP H 3.210 . 3.210 2.645 2.516 2.837 . 0 0 "[ . 1 . 2]" 1
5 1 31 ASP H 1 32 ALA H 3.840 . 3.840 3.571 3.399 3.719 . 0 0 "[ . 1 . 2]" 1
6 1 31 ASP H 1 31 ASP HB2 3.060 . 3.060 3.147 3.033 3.231 0.171 10 0 "[ . 1 . 2]" 1
7 1 31 ASP H 1 31 ASP HB3 3.110 . 3.110 2.863 2.789 3.043 . 0 0 "[ . 1 . 2]" 1
8 1 31 ASP H 1 61 LEU MD1 5.080 . 5.080 2.230 1.751 3.157 0.049 19 0 "[ . 1 . 2]" 1
9 1 59 ASP H 1 59 ASP HB2 4.020 . 4.020 2.452 2.308 2.945 . 0 0 "[ . 1 . 2]" 1
10 1 59 ASP H 1 59 ASP HB3 4.020 . 4.020 2.684 2.438 3.933 . 0 0 "[ . 1 . 2]" 1
11 1 51 ILE HB 1 52 LYS H 3.640 . 3.640 2.444 2.339 2.500 . 0 0 "[ . 1 . 2]" 1
12 1 52 LYS H 1 52 LYS HB2 3.850 . 3.850 2.268 2.099 2.396 . 0 0 "[ . 1 . 2]" 1
13 1 45 SER H 1 46 CYS HA 4.230 . 4.230 4.162 4.090 4.207 . 0 0 "[ . 1 . 2]" 1
14 1 44 SER QB 1 45 SER H 3.320 . 3.320 2.705 2.236 3.401 0.081 7 0 "[ . 1 . 2]" 1
15 1 45 SER H 1 45 SER QB 3.510 . 3.510 2.892 2.759 3.244 . 0 0 "[ . 1 . 2]" 1
16 1 33 SER QB 1 34 GLN H 4.150 . 4.150 2.679 2.370 2.897 . 0 0 "[ . 1 . 2]" 1
17 1 34 GLN H 1 35 CYS QB 4.160 . 4.160 4.169 4.091 4.266 0.106 7 0 "[ . 1 . 2]" 1
18 1 32 ALA MB 1 34 GLN H 4.820 . 4.820 4.655 4.491 4.800 . 0 0 "[ . 1 . 2]" 1
19 1 28 ASN H 1 30 GLU H 4.360 . 4.360 4.012 3.814 4.263 . 0 0 "[ . 1 . 2]" 1
20 1 27 GLU H 1 28 ASN H 3.440 . 3.440 2.966 2.781 3.095 . 0 0 "[ . 1 . 2]" 1
21 1 28 ASN H 1 28 ASN HD22 4.150 . 4.150 4.091 3.523 4.304 0.154 7 0 "[ . 1 . 2]" 1
22 1 28 ASN H 1 28 ASN HB3 4.040 . 4.040 3.755 3.343 3.923 . 0 0 "[ . 1 . 2]" 1
23 1 27 GLU HG3 1 28 ASN H 4.420 . 4.420 4.256 3.531 4.620 0.200 11 0 "[ . 1 . 2]" 1
24 1 28 ASN H 1 29 LEU HB2 5.020 . 5.020 4.989 4.854 5.089 0.069 10 0 "[ . 1 . 2]" 1
25 1 28 ASN H 1 29 LEU MD1 4.380 . 4.380 2.962 2.855 3.128 . 0 0 "[ . 1 . 2]" 1
26 1 21 TYR H 1 22 TRP H 3.630 . 3.630 2.672 2.537 2.792 . 0 0 "[ . 1 . 2]" 1
27 1 20 GLU H 1 21 TYR H 3.420 . 3.420 2.608 2.494 2.790 . 0 0 "[ . 1 . 2]" 1
28 1 20 GLU QB 1 21 TYR H 3.500 . 3.500 3.003 2.651 3.155 . 0 0 "[ . 1 . 2]" 1
29 1 17 ALA MB 1 21 TYR H 5.080 . 5.080 4.794 4.571 5.013 . 0 0 "[ . 1 . 2]" 1
30 1 51 ILE H 1 51 ILE HG13 3.950 . 3.950 2.361 2.250 2.503 . 0 0 "[ . 1 . 2]" 1
31 1 51 ILE H 1 51 ILE HG12 3.980 . 3.980 3.590 3.471 3.712 . 0 0 "[ . 1 . 2]" 1
32 1 38 LEU H 1 38 LEU HB3 3.620 . 3.620 3.601 3.569 3.619 . 0 0 "[ . 1 . 2]" 1
33 1 37 LYS QB 1 38 LEU H 3.030 . 3.030 2.475 2.192 2.664 . 0 0 "[ . 1 . 2]" 1
34 1 38 LEU H 1 38 LEU HG 3.490 . 3.490 2.388 2.104 3.582 0.092 5 0 "[ . 1 . 2]" 1
35 1 40 SER H 1 41 SER H 3.100 . 3.100 2.684 2.568 2.747 . 0 0 "[ . 1 . 2]" 1
36 1 41 SER H 1 41 SER QB 2.760 . 2.760 2.485 2.266 2.629 . 0 0 "[ . 1 . 2]" 1
37 1 29 LEU H 1 30 GLU H 3.440 . 3.440 2.789 2.661 2.905 . 0 0 "[ . 1 . 2]" 1
38 1 28 ASN H 1 29 LEU H 3.210 . 3.210 1.868 1.769 1.999 0.031 15 0 "[ . 1 . 2]" 1
39 1 28 ASN HA 1 29 LEU H 3.500 . 3.500 3.464 3.421 3.497 . 0 0 "[ . 1 . 2]" 1
40 1 29 LEU H 1 29 LEU HA 2.820 . 2.820 2.265 2.252 2.275 . 0 0 "[ . 1 . 2]" 1
41 1 29 LEU H 1 29 LEU HB3 4.160 . 4.160 4.065 4.039 4.109 . 0 0 "[ . 1 . 2]" 1
42 1 29 LEU H 1 29 LEU HB2 3.670 . 3.670 3.553 3.514 3.586 . 0 0 "[ . 1 . 2]" 1
43 1 43 GLU H 1 44 SER H 3.360 . 3.360 2.554 2.441 2.679 . 0 0 "[ . 1 . 2]" 1
44 1 44 SER H 1 45 SER H 3.160 . 3.160 2.765 2.688 2.887 . 0 0 "[ . 1 . 2]" 1
45 1 43 GLU QB 1 44 SER H 4.200 . 4.200 3.714 3.167 3.860 . 0 0 "[ . 1 . 2]" 1
46 1 43 GLU HG3 1 44 SER H 4.620 . 4.620 3.561 3.197 4.582 . 0 0 "[ . 1 . 2]" 1
47 1 72 PHE HB2 1 73 GLU H 4.110 . 4.110 3.308 2.089 4.122 0.012 3 0 "[ . 1 . 2]" 1
48 1 17 ALA H 1 18 ARG H 3.520 . 3.520 2.666 2.500 2.766 . 0 0 "[ . 1 . 2]" 1
49 1 16 GLY H 1 17 ALA H 3.390 . 3.390 2.706 2.623 2.799 . 0 0 "[ . 1 . 2]" 1
50 1 17 ALA H 1 18 ARG HA 5.370 . 5.370 5.280 5.147 5.353 . 0 0 "[ . 1 . 2]" 1
51 1 17 ALA H 1 17 ALA MB 2.990 . 2.990 2.218 2.197 2.235 . 0 0 "[ . 1 . 2]" 1
52 1 42 PHE H 1 42 PHE HB3 3.310 . 3.310 3.418 3.218 3.478 0.168 8 0 "[ . 1 . 2]" 1
53 1 42 PHE H 1 42 PHE HB2 3.300 . 3.300 2.126 2.066 2.185 . 0 0 "[ . 1 . 2]" 1
54 1 13 VAL MG1 1 17 ALA H 4.590 . 4.590 4.140 3.994 4.355 . 0 0 "[ . 1 . 2]" 1
55 1 39 ARG H 1 40 SER H 3.380 . 3.380 2.699 2.549 2.790 . 0 0 "[ . 1 . 2]" 1
56 1 40 SER H 1 40 SER QB 2.810 . 2.810 2.339 2.181 2.478 . 0 0 "[ . 1 . 2]" 1
57 1 40 SER H 1 42 PHE HB2 5.170 . 5.170 5.061 4.808 5.225 0.055 6 0 "[ . 1 . 2]" 1
58 1 38 LEU HB2 1 40 SER H 5.170 . 5.170 4.986 4.795 5.175 0.005 11 0 "[ . 1 . 2]" 1
59 1 27 GLU H 1 29 LEU H 4.010 . 4.010 3.987 3.813 4.054 0.044 12 0 "[ . 1 . 2]" 1
60 1 27 GLU H 1 27 GLU QB 3.260 . 3.260 2.486 1.905 2.988 . 0 0 "[ . 1 . 2]" 1
61 1 19 ASP HB2 1 20 GLU H 3.950 . 3.950 3.577 2.731 3.892 . 0 0 "[ . 1 . 2]" 1
62 1 19 ASP HB3 1 20 GLU H 3.950 . 3.950 2.857 2.424 3.589 . 0 0 "[ . 1 . 2]" 1
63 1 20 GLU H 1 20 GLU QB 3.060 . 3.060 2.283 2.213 2.368 . 0 0 "[ . 1 . 2]" 1
64 1 61 LEU H 1 61 LEU HB3 3.570 . 3.570 3.571 3.433 3.623 0.053 7 0 "[ . 1 . 2]" 1
65 1 38 LEU MD1 1 61 LEU H 4.260 . 4.260 2.111 1.792 3.754 0.008 10 0 "[ . 1 . 2]" 1
66 1 61 LEU H 1 61 LEU HB2 3.660 . 3.660 2.330 2.155 2.436 . 0 0 "[ . 1 . 2]" 1
67 1 77 THR H 1 77 THR MG 4.370 . 4.370 3.503 1.899 3.989 . 0 0 "[ . 1 . 2]" 1
68 1 26 ASP H 1 29 LEU HG 4.690 . 4.690 4.709 4.534 4.859 0.169 15 0 "[ . 1 . 2]" 1
69 1 74 PRO HA 1 75 SER H 3.190 . 3.190 2.178 2.015 2.826 . 0 0 "[ . 1 . 2]" 1
70 1 75 SER H 1 75 SER QB 3.620 . 3.620 2.546 2.258 3.167 . 0 0 "[ . 1 . 2]" 1
71 1 74 PRO HB2 1 75 SER H 4.310 . 4.310 3.498 1.783 4.183 0.017 5 0 "[ . 1 . 2]" 1
72 1 74 PRO HB3 1 75 SER H 4.310 . 4.310 3.707 3.251 4.331 0.021 18 0 "[ . 1 . 2]" 1
73 1 19 ASP H 1 20 GLU H 3.700 . 3.700 2.504 2.424 2.558 . 0 0 "[ . 1 . 2]" 1
74 1 17 ALA H 1 19 ASP H 4.560 . 4.560 4.132 3.930 4.388 . 0 0 "[ . 1 . 2]" 1
75 1 19 ASP H 1 19 ASP HB2 3.620 . 3.620 2.432 2.208 2.586 . 0 0 "[ . 1 . 2]" 1
76 1 19 ASP H 1 19 ASP HB3 3.620 . 3.620 2.851 2.480 3.598 . 0 0 "[ . 1 . 2]" 1
77 1 32 ALA H 1 33 SER QB 4.590 . 4.590 4.492 4.256 4.762 0.172 3 0 "[ . 1 . 2]" 1
78 1 31 ASP HB3 1 32 ALA H 4.510 . 4.510 4.388 4.333 4.420 . 0 0 "[ . 1 . 2]" 1
79 1 42 PHE H 1 43 GLU H 3.240 . 3.240 2.603 2.436 2.827 . 0 0 "[ . 1 . 2]" 1
80 1 42 PHE HB3 1 43 GLU H 3.880 . 3.880 3.267 2.709 3.636 . 0 0 "[ . 1 . 2]" 1
81 1 42 PHE HB2 1 43 GLU H 3.860 . 3.860 2.944 2.626 3.213 . 0 0 "[ . 1 . 2]" 1
82 1 75 SER HA 1 76 GLU H 3.220 . 3.220 2.468 2.122 3.374 0.154 16 0 "[ . 1 . 2]" 1
83 1 75 SER QB 1 76 GLU H 4.080 . 4.080 3.114 2.010 3.990 . 0 0 "[ . 1 . 2]" 1
84 1 33 SER H 1 34 GLN H 3.390 . 3.390 2.652 2.523 2.805 . 0 0 "[ . 1 . 2]" 1
85 1 33 SER H 1 33 SER QB 3.160 . 3.160 2.352 2.242 2.624 . 0 0 "[ . 1 . 2]" 1
86 1 32 ALA MB 1 33 SER H 3.450 . 3.450 3.109 3.042 3.163 . 0 0 "[ . 1 . 2]" 1
87 1 18 ARG H 1 19 ASP H 3.700 . 3.700 2.614 2.454 2.779 . 0 0 "[ . 1 . 2]" 1
88 1 18 ARG H 1 20 GLU H 4.380 . 4.380 3.963 3.846 4.068 . 0 0 "[ . 1 . 2]" 1
89 1 18 ARG H 1 21 TYR H 5.120 . 5.120 4.710 4.498 4.974 . 0 0 "[ . 1 . 2]" 1
90 1 38 LEU H 1 39 ARG H 3.550 . 3.550 2.790 2.663 2.900 . 0 0 "[ . 1 . 2]" 1
91 1 35 CYS HA 1 39 ARG H 3.590 . 3.590 3.343 2.945 3.543 . 0 0 "[ . 1 . 2]" 1
92 1 24 CYS QB 1 39 ARG H 4.150 . 4.150 3.863 3.601 4.052 . 0 0 "[ . 1 . 2]" 1
93 1 38 LEU HB2 1 39 ARG H 4.070 . 4.070 2.571 2.405 2.795 . 0 0 "[ . 1 . 2]" 1
94 1 38 LEU MD2 1 39 ARG H 4.810 . 4.810 4.590 4.360 4.816 0.006 5 0 "[ . 1 . 2]" 1
95 1 14 CYS HB3 1 15 TRP H 4.340 . 4.340 2.489 2.333 2.629 . 0 0 "[ . 1 . 2]" 1
96 1 53 TYR H 1 54 PHE H 3.580 . 3.580 2.761 2.660 2.864 . 0 0 "[ . 1 . 2]" 1
97 1 54 PHE H 1 55 ASP HB2 5.120 . 5.120 4.835 4.606 5.042 . 0 0 "[ . 1 . 2]" 1
98 1 29 LEU HA 1 30 GLU H 3.540 . 3.540 3.041 2.892 3.159 . 0 0 "[ . 1 . 2]" 1
99 1 30 GLU H 1 30 GLU QG 4.090 . 4.090 3.361 2.047 4.061 . 0 0 "[ . 1 . 2]" 1
100 1 30 GLU H 1 30 GLU HB3 3.740 . 3.740 2.942 2.517 3.639 . 0 0 "[ . 1 . 2]" 1
101 1 29 LEU HB2 1 30 GLU H 4.350 . 4.350 3.994 3.865 4.152 . 0 0 "[ . 1 . 2]" 1
102 1 20 GLU H 1 22 TRP H 4.740 . 4.740 4.298 4.050 4.521 . 0 0 "[ . 1 . 2]" 1
103 1 21 TYR QD 1 22 TRP H 4.420 . 4.420 3.654 3.200 4.116 . 0 0 "[ . 1 . 2]" 1
104 1 54 PHE H 1 55 ASP H 3.840 . 3.840 2.514 2.458 2.614 . 0 0 "[ . 1 . 2]" 1
105 1 53 TYR H 1 55 ASP H 4.480 . 4.480 3.944 3.779 4.168 . 0 0 "[ . 1 . 2]" 1
106 1 54 PHE QB 1 55 ASP H 3.760 . 3.760 2.622 2.451 2.803 . 0 0 "[ . 1 . 2]" 1
107 1 55 ASP H 1 55 ASP HB2 3.530 . 3.530 2.527 2.377 2.642 . 0 0 "[ . 1 . 2]" 1
108 1 35 CYS QB 1 36 LYS H 3.710 . 3.710 3.484 3.007 3.624 . 0 0 "[ . 1 . 2]" 1
109 1 14 CYS H 1 14 CYS HB3 3.840 . 3.840 2.713 2.598 2.927 . 0 0 "[ . 1 . 2]" 1
110 1 14 CYS H 1 14 CYS HB2 3.790 . 3.790 2.405 2.222 2.540 . 0 0 "[ . 1 . 2]" 1
111 1 48 GLN QG 1 49 GLN H 4.270 . 4.270 3.967 3.637 4.210 . 0 0 "[ . 1 . 2]" 1
112 1 49 GLN H 1 49 GLN QB 3.860 . 3.860 2.394 2.220 2.642 . 0 0 "[ . 1 . 2]" 1
113 1 45 SER H 1 46 CYS H 3.090 . 3.090 2.886 2.830 2.940 . 0 0 "[ . 1 . 2]" 1
114 1 45 SER QB 1 46 CYS H 3.540 . 3.540 1.897 1.757 2.458 0.043 20 0 "[ . 1 . 2]" 1
115 1 46 CYS H 1 46 CYS HB3 3.970 . 3.970 3.296 3.204 3.380 . 0 0 "[ . 1 . 2]" 1
116 1 46 CYS H 1 46 CYS HB2 3.970 . 3.970 3.738 3.650 3.793 . 0 0 "[ . 1 . 2]" 1
117 1 46 CYS H 1 47 PRO QG 4.580 . 4.580 3.555 3.185 4.065 . 0 0 "[ . 1 . 2]" 1
118 1 48 GLN HA 1 53 TYR H 5.340 . 5.340 5.439 5.380 5.611 0.271 14 0 "[ . 1 . 2]" 1
119 1 52 LYS H 1 53 TYR H 3.780 . 3.780 2.581 2.487 2.671 . 0 0 "[ . 1 . 2]" 1
120 1 52 LYS H 1 52 LYS QD 4.600 . 4.600 3.877 3.542 4.311 . 0 0 "[ . 1 . 2]" 1
121 1 38 LEU H 1 40 SER H 4.440 . 4.440 4.112 3.998 4.236 . 0 0 "[ . 1 . 2]" 1
122 1 41 SER H 1 42 PHE HB2 4.500 . 4.500 4.358 4.176 4.494 . 0 0 "[ . 1 . 2]" 1
123 1 39 ARG QB 1 41 SER H 5.070 . 5.070 4.694 4.457 5.064 . 0 0 "[ . 1 . 2]" 1
124 1 44 SER H 1 51 ILE HG12 4.790 . 4.790 3.664 3.398 4.011 . 0 0 "[ . 1 . 2]" 1
125 1 12 GLN H 1 12 GLN QG 4.130 . 4.130 3.993 3.939 4.024 . 0 0 "[ . 1 . 2]" 1
126 1 12 GLN H 1 13 VAL MG2 4.770 . 4.770 4.222 3.987 4.427 . 0 0 "[ . 1 . 2]" 1
127 1 24 CYS QB 1 40 SER H 5.430 . 5.430 5.400 5.022 5.533 0.103 19 0 "[ . 1 . 2]" 1
128 1 4 ALA MB 1 5 ALA H 4.990 . 4.990 2.793 2.000 3.639 . 0 0 "[ . 1 . 2]" 1
129 1 17 ALA MB 1 43 GLU H 4.430 . 4.430 3.604 3.000 4.124 . 0 0 "[ . 1 . 2]" 1
130 1 14 CYS HB2 1 15 TRP H 4.180 . 4.180 3.699 3.410 3.869 . 0 0 "[ . 1 . 2]" 1
131 1 54 PHE H 1 55 ASP HB3 5.120 . 5.120 4.730 4.514 5.182 0.062 5 0 "[ . 1 . 2]" 1
132 1 11 ARG H 1 13 VAL H 4.940 . 4.940 4.246 3.917 4.526 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL H 1 16 GLY H 5.370 . 5.370 4.427 4.196 4.602 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL H 1 13 VAL HB 3.360 . 3.360 2.456 2.365 2.562 . 0 0 "[ . 1 . 2]" 1
135 1 59 ASP HB2 1 60 TYR H 4.730 . 4.730 4.250 3.854 4.434 . 0 0 "[ . 1 . 2]" 1
136 1 59 ASP HB3 1 60 TYR H 4.730 . 4.730 4.213 3.990 4.370 . 0 0 "[ . 1 . 2]" 1
137 1 69 ALA MB 1 71 GLN H 4.750 . 4.750 3.232 2.338 4.736 . 0 0 "[ . 1 . 2]" 1
138 1 39 ARG H 1 41 SER H 4.720 . 4.720 4.128 3.866 4.309 . 0 0 "[ . 1 . 2]" 1
139 1 39 ARG HA 1 41 SER H 4.870 . 4.870 4.167 3.946 4.470 . 0 0 "[ . 1 . 2]" 1
140 1 42 PHE HB3 1 44 SER H 4.790 . 4.790 4.780 4.524 4.850 0.060 19 0 "[ . 1 . 2]" 1
141 1 17 ALA MB 1 44 SER H 5.380 . 5.380 4.532 4.280 4.855 . 0 0 "[ . 1 . 2]" 1
142 1 42 PHE H 1 51 ILE HG12 5.280 . 5.280 4.908 4.594 5.341 0.061 11 0 "[ . 1 . 2]" 1
143 1 42 PHE H 1 51 ILE MD 5.750 . 5.750 4.780 4.395 5.199 . 0 0 "[ . 1 . 2]" 1
144 1 19 ASP H 1 22 TRP H 6.000 . 6.000 5.278 4.979 5.574 . 0 0 "[ . 1 . 2]" 1
145 1 32 ALA H 1 34 GLN H 4.750 . 4.750 4.546 4.360 4.721 . 0 0 "[ . 1 . 2]" 1
146 1 43 GLU H 1 51 ILE MG 4.950 . 4.950 4.930 4.750 5.093 0.143 16 0 "[ . 1 . 2]" 1
147 1 15 TRP H 1 17 ALA H 4.800 . 4.800 4.096 3.949 4.233 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL HB 1 15 TRP H 5.290 . 5.290 5.167 4.927 5.332 0.042 13 0 "[ . 1 . 2]" 1
149 1 15 TRP H 1 17 ALA MB 5.180 . 5.180 4.794 4.618 4.990 . 0 0 "[ . 1 . 2]" 1
150 1 76 GLU H 1 76 GLU QG 4.120 . 4.120 2.834 2.059 4.169 0.049 7 0 "[ . 1 . 2]" 1
151 1 76 GLU HA 1 77 THR H 3.310 . 3.310 2.351 2.111 2.692 . 0 0 "[ . 1 . 2]" 1
152 1 61 LEU H 1 61 LEU MD1 4.240 . 4.240 3.317 2.312 4.094 . 0 0 "[ . 1 . 2]" 1
153 1 60 TYR HB2 1 61 LEU H 3.830 . 3.830 3.567 3.416 3.885 0.055 20 0 "[ . 1 . 2]" 1
154 1 55 ASP H 1 56 LYS H 3.730 . 3.730 2.674 2.416 2.903 . 0 0 "[ . 1 . 2]" 1
155 1 52 LYS HA 1 55 ASP H 3.980 . 3.980 3.254 3.083 3.867 . 0 0 "[ . 1 . 2]" 1
156 1 52 LYS QD 1 55 ASP H 5.490 . 5.490 4.569 4.230 5.327 . 0 0 "[ . 1 . 2]" 1
157 1 50 TRP HA 1 54 PHE H 4.420 . 4.420 4.059 3.493 4.427 0.007 14 0 "[ . 1 . 2]" 1
158 1 53 TYR H 1 53 TYR HB2 3.780 . 3.780 2.613 2.438 2.749 . 0 0 "[ . 1 . 2]" 1
159 1 31 ASP H 1 32 ALA MB 4.610 . 4.610 4.622 4.474 4.738 0.128 12 0 "[ . 1 . 2]" 1
160 1 29 LEU HA 1 31 ASP H 4.080 . 4.080 3.891 3.654 4.129 0.049 7 0 "[ . 1 . 2]" 1
161 1 28 ASN H 1 28 ASN HB2 3.630 . 3.630 2.860 2.521 3.813 0.183 12 0 "[ . 1 . 2]" 1
162 1 27 GLU QB 1 28 ASN H 3.420 . 3.420 2.175 1.975 3.259 . 0 0 "[ . 1 . 2]" 1
163 1 28 ASN H 1 61 LEU HB3 4.040 . 4.040 3.984 3.218 4.252 0.212 16 0 "[ . 1 . 2]" 1
164 1 51 ILE HG13 1 52 LYS H 4.820 . 4.820 4.437 4.327 4.505 . 0 0 "[ . 1 . 2]" 1
165 1 51 ILE H 1 51 ILE HB 3.400 . 3.400 2.379 2.326 2.443 . 0 0 "[ . 1 . 2]" 1
166 1 35 CYS H 1 35 CYS QB 2.830 . 2.830 2.294 2.096 2.389 . 0 0 "[ . 1 . 2]" 1
167 1 50 TRP H 1 51 ILE H 4.260 . 4.260 2.579 2.453 2.799 . 0 0 "[ . 1 . 2]" 1
168 1 26 ASP HB2 1 27 GLU H 4.190 . 4.190 4.147 4.003 4.259 0.069 19 0 "[ . 1 . 2]" 1
169 1 46 CYS H 1 51 ILE MD 3.640 . 3.640 2.505 1.982 2.683 . 0 0 "[ . 1 . 2]" 1
170 1 46 CYS H 1 51 ILE HG13 4.510 . 4.510 2.820 2.436 3.227 . 0 0 "[ . 1 . 2]" 1
171 1 43 GLU QB 1 45 SER H 4.930 . 4.930 5.086 4.774 5.206 0.276 6 0 "[ . 1 . 2]" 1
172 1 43 GLU HA 1 45 SER H 4.350 . 4.350 3.956 3.711 4.407 0.057 13 0 "[ . 1 . 2]" 1
173 1 43 GLU HG2 1 44 SER H 4.620 . 4.620 3.789 3.277 4.993 0.373 8 0 "[ . 1 . 2]" 1
174 1 44 SER H 1 46 CYS HA 6.000 . 6.000 6.144 6.052 6.187 0.187 20 0 "[ . 1 . 2]" 1
175 1 43 GLU H 1 44 SER QB 4.290 . 4.290 4.350 4.175 4.563 0.273 6 0 "[ . 1 . 2]" 1
176 1 41 SER QB 1 42 PHE H 3.230 . 3.230 2.632 2.413 2.791 . 0 0 "[ . 1 . 2]" 1
177 1 17 ALA H 1 18 ARG QB 4.440 . 4.440 4.454 4.324 4.590 0.150 7 0 "[ . 1 . 2]" 1
178 1 38 LEU H 1 40 SER QB 4.990 . 4.990 4.871 4.678 5.010 0.020 11 0 "[ . 1 . 2]" 1
179 1 38 LEU H 1 38 LEU HB2 3.630 . 3.630 2.517 2.346 2.645 . 0 0 "[ . 1 . 2]" 1
180 1 35 CYS H 1 36 LYS H 3.150 . 3.150 2.662 2.548 2.812 . 0 0 "[ . 1 . 2]" 1
181 1 34 GLN H 1 35 CYS HA 4.740 . 4.740 4.712 4.586 4.820 0.080 13 0 "[ . 1 . 2]" 1
182 1 31 ASP HA 1 32 ALA H 3.070 . 3.070 2.198 2.133 2.293 . 0 0 "[ . 1 . 2]" 1
183 1 31 ASP HB2 1 32 ALA H 4.850 . 4.850 4.522 4.434 4.585 . 0 0 "[ . 1 . 2]" 1
184 1 29 LEU H 1 31 ASP H 4.580 . 4.580 4.577 4.420 4.672 0.092 2 0 "[ . 1 . 2]" 1
185 1 30 GLU H 1 61 LEU HG 4.330 . 4.330 3.168 2.555 4.044 . 0 0 "[ . 1 . 2]" 1
186 1 30 GLU H 1 30 GLU HB2 3.740 . 3.740 2.544 2.376 3.695 . 0 0 "[ . 1 . 2]" 1
187 1 29 LEU H 1 61 LEU HG 4.130 . 4.130 3.841 3.040 4.280 0.150 12 0 "[ . 1 . 2]" 1
188 1 29 LEU H 1 29 LEU MD1 3.130 . 3.130 2.422 2.364 2.543 . 0 0 "[ . 1 . 2]" 1
189 1 25 LEU H 1 26 ASP H 3.790 . 3.790 2.740 2.521 2.922 . 0 0 "[ . 1 . 2]" 1
190 1 11 ARG H 1 12 GLN QB 4.520 . 4.520 4.385 4.115 4.574 0.054 18 0 "[ . 1 . 2]" 1
191 1 20 GLU HA 1 22 TRP H 3.840 . 3.840 3.894 3.661 4.056 0.216 12 0 "[ . 1 . 2]" 1
192 1 21 TYR H 1 21 TYR HB2 3.460 . 3.460 2.585 2.318 3.603 0.143 20 0 "[ . 1 . 2]" 1
193 1 21 TYR H 1 21 TYR HB3 3.460 . 3.460 2.537 2.360 2.792 . 0 0 "[ . 1 . 2]" 1
194 1 18 ARG HA 1 21 TYR H 4.140 . 4.140 3.548 3.072 3.878 . 0 0 "[ . 1 . 2]" 1
195 1 18 ARG H 1 18 ARG HE 4.770 . 4.770 4.574 3.994 4.962 0.192 9 0 "[ . 1 . 2]" 1
196 1 18 ARG HG3 1 19 ASP H 4.950 . 4.950 4.351 3.495 4.992 0.042 14 0 "[ . 1 . 2]" 1
197 1 18 ARG HG2 1 19 ASP H 4.950 . 4.950 4.313 3.375 5.027 0.077 18 0 "[ . 1 . 2]" 1
198 1 18 ARG QB 1 19 ASP H 3.880 . 3.880 2.561 2.384 2.807 . 0 0 "[ . 1 . 2]" 1
199 1 18 ARG H 1 18 ARG HG2 4.870 . 4.870 4.242 2.172 4.632 . 0 0 "[ . 1 . 2]" 1
200 1 18 ARG H 1 18 ARG HG3 4.870 . 4.870 4.277 2.243 4.525 . 0 0 "[ . 1 . 2]" 1
201 1 17 ALA MB 1 18 ARG H 3.500 . 3.500 2.479 2.333 2.616 . 0 0 "[ . 1 . 2]" 1
202 1 18 ARG H 1 18 ARG QB 3.710 . 3.710 2.272 2.212 2.514 . 0 0 "[ . 1 . 2]" 1
203 1 15 TRP QB 1 16 GLY H 3.730 . 3.730 2.633 2.383 2.835 . 0 0 "[ . 1 . 2]" 1
204 1 16 GLY H 1 17 ALA MB 4.520 . 4.520 4.340 4.284 4.416 . 0 0 "[ . 1 . 2]" 1
205 1 13 VAL H 1 14 CYS H 4.050 . 4.050 2.655 2.496 2.920 . 0 0 "[ . 1 . 2]" 1
206 1 13 VAL HB 1 14 CYS H 3.370 . 3.370 2.605 2.356 2.726 . 0 0 "[ . 1 . 2]" 1
207 1 11 ARG H 1 12 GLN H 4.250 . 4.250 2.649 2.420 2.836 . 0 0 "[ . 1 . 2]" 1
208 1 31 ASP HB3 1 61 LEU H 4.960 . 4.960 5.002 4.625 5.167 0.207 3 0 "[ . 1 . 2]" 1
209 1 38 LEU HB3 1 61 LEU H 5.200 . 5.200 5.170 4.621 5.375 0.175 3 0 "[ . 1 . 2]" 1
210 1 52 LYS HB2 1 54 PHE H 5.730 . 5.730 5.671 5.511 5.788 0.058 18 0 "[ . 1 . 2]" 1
211 1 50 TRP HD1 1 54 PHE H 4.800 . 4.800 4.868 4.280 5.111 0.311 6 0 "[ . 1 . 2]" 1
212 1 13 VAL MG1 1 46 CYS H 4.960 . 4.960 4.994 4.754 5.080 0.120 1 0 "[ . 1 . 2]" 1
213 1 42 PHE HB3 1 45 SER H 6.000 . 6.000 5.926 5.744 6.045 0.045 20 0 "[ . 1 . 2]" 1
214 1 43 GLU H 1 51 ILE MD 4.900 . 4.900 4.772 4.702 4.911 0.011 11 0 "[ . 1 . 2]" 1
215 1 42 PHE H 1 43 GLU HA 5.520 . 5.520 5.228 5.116 5.388 . 0 0 "[ . 1 . 2]" 1
216 1 17 ALA H 1 20 GLU QB 4.520 . 4.520 4.552 4.426 4.669 0.149 17 0 "[ . 1 . 2]" 1
217 1 39 ARG QB 1 40 SER H 3.570 . 3.570 2.652 2.327 3.637 0.067 3 0 "[ . 1 . 2]" 1
218 1 35 CYS QB 1 39 ARG H 4.020 . 4.020 4.196 3.946 4.439 0.419 12 0 "[ . 1 . 2]" 1
219 1 39 ARG H 1 39 ARG QB 3.580 . 3.580 2.269 2.117 2.609 . 0 0 "[ . 1 . 2]" 1
220 1 39 ARG H 1 39 ARG QG 4.420 . 4.420 3.777 2.163 4.034 . 0 0 "[ . 1 . 2]" 1
221 1 62 LYS H 1 63 PHE H 4.530 . 4.530 2.701 2.615 2.835 . 0 0 "[ . 1 . 2]" 1
222 1 24 CYS QB 1 25 LEU H 4.080 . 4.080 2.811 2.450 2.948 . 0 0 "[ . 1 . 2]" 1
223 1 35 CYS H 1 38 LEU HB2 5.260 . 5.260 5.055 4.831 5.282 0.022 16 0 "[ . 1 . 2]" 1
224 1 13 VAL MG1 1 15 TRP H 5.270 . 5.270 5.133 4.984 5.236 . 0 0 "[ . 1 . 2]" 1
225 1 13 VAL MG2 1 16 GLY H 5.450 . 5.450 5.256 5.095 5.438 . 0 0 "[ . 1 . 2]" 1
226 1 15 TRP H 1 16 GLY H 4.150 . 4.150 2.545 2.429 2.636 . 0 0 "[ . 1 . 2]" 1
227 1 27 GLU QB 1 28 ASN HD22 4.130 . 4.130 2.870 2.680 3.622 . 0 0 "[ . 1 . 2]" 1
228 1 63 PHE H 1 63 PHE QB 3.640 . 3.640 2.345 2.272 2.443 . 0 0 "[ . 1 . 2]" 1
229 1 61 LEU H 1 62 LYS H 3.280 . 3.280 2.497 2.376 2.685 . 0 0 "[ . 1 . 2]" 1
230 1 60 TYR H 1 62 LYS H 4.190 . 4.190 3.136 2.784 3.981 . 0 0 "[ . 1 . 2]" 1
231 1 61 LEU MD1 1 62 LYS H 4.700 . 4.700 4.567 4.182 4.746 0.046 4 0 "[ . 1 . 2]" 1
232 1 61 LEU HB2 1 62 LYS H 3.840 . 3.840 2.985 2.802 3.158 . 0 0 "[ . 1 . 2]" 1
233 1 61 LEU HB3 1 62 LYS H 3.690 . 3.690 3.651 3.256 3.821 0.131 11 0 "[ . 1 . 2]" 1
234 1 24 CYS H 1 39 ARG QG 4.980 . 4.980 4.772 4.011 5.205 0.225 18 0 "[ . 1 . 2]" 1
235 1 62 LYS H 1 62 LYS QE 3.540 . 3.540 3.098 1.891 3.683 0.143 14 0 "[ . 1 . 2]" 1
236 1 24 CYS H 1 24 CYS QB 3.590 . 3.590 2.577 2.443 2.733 . 0 0 "[ . 1 . 2]" 1
237 1 62 LYS QE 1 63 PHE H 5.360 . 5.360 4.968 4.343 5.245 . 0 0 "[ . 1 . 2]" 1
238 1 56 LYS H 1 57 ARG H 4.270 . 4.270 2.838 2.705 2.936 . 0 0 "[ . 1 . 2]" 1
239 1 66 LYS QB 1 67 PHE H 4.270 . 4.270 3.807 3.648 4.019 . 0 0 "[ . 1 . 2]" 1
240 1 70 GLY H 1 71 GLN H 3.860 . 3.860 2.569 2.012 3.254 . 0 0 "[ . 1 . 2]" 1
241 1 55 ASP H 1 55 ASP HB3 3.530 . 3.530 2.531 2.408 2.780 . 0 0 "[ . 1 . 2]" 1
242 1 43 GLU H 1 45 SER H 5.010 . 5.010 4.890 4.749 5.076 0.066 13 0 "[ . 1 . 2]" 1
243 1 64 LYS QG 1 66 LYS H 4.640 . 4.640 4.662 4.133 4.942 0.302 2 0 "[ . 1 . 2]" 1
244 1 62 LYS H 1 63 PHE QD 4.850 . 4.850 4.225 3.942 4.652 . 0 0 "[ . 1 . 2]" 1
245 1 31 ASP H 1 61 LEU HG 4.780 . 4.780 2.826 2.282 3.729 . 0 0 "[ . 1 . 2]" 1
246 1 43 GLU H 1 44 SER HA 4.960 . 4.960 4.855 4.740 4.965 0.005 2 0 "[ . 1 . 2]" 1
247 1 19 ASP H 1 21 TYR H 5.170 . 5.170 3.895 3.739 4.208 . 0 0 "[ . 1 . 2]" 1
248 1 44 SER H 1 51 ILE MD 4.690 . 4.690 4.116 3.859 4.310 . 0 0 "[ . 1 . 2]" 1
249 1 51 ILE H 1 51 ILE MD 3.660 . 3.660 3.660 3.541 3.730 0.070 6 0 "[ . 1 . 2]" 1
250 1 42 PHE HB3 1 51 ILE MD 4.400 . 4.400 3.590 3.118 4.247 . 0 0 "[ . 1 . 2]" 1
251 1 46 CYS HB3 1 51 ILE MD 4.530 . 4.530 4.545 4.438 4.623 0.093 5 0 "[ . 1 . 2]" 1
252 1 48 GLN QG 1 51 ILE MD 4.450 . 4.450 4.416 4.219 4.610 0.160 8 0 "[ . 1 . 2]" 1
253 1 51 ILE HB 1 51 ILE MD 3.160 . 3.160 2.439 2.388 2.476 . 0 0 "[ . 1 . 2]" 1
254 1 17 ALA MB 1 51 ILE MD 4.150 . 4.150 2.955 2.607 3.632 . 0 0 "[ . 1 . 2]" 1
255 1 51 ILE MD 1 51 ILE MG 2.950 . 2.950 1.905 1.850 1.949 . 0 0 "[ . 1 . 2]" 1
256 1 30 GLU H 1 61 LEU MD1 4.790 . 4.790 2.879 1.739 3.717 0.061 5 0 "[ . 1 . 2]" 1
257 1 61 LEU HA 1 61 LEU MD1 4.100 . 4.100 2.028 1.831 2.572 . 0 0 "[ . 1 . 2]" 1
258 1 61 LEU HB3 1 61 LEU MD1 3.580 . 3.580 2.606 2.256 3.194 . 0 0 "[ . 1 . 2]" 1
259 1 61 LEU MD2 1 62 LYS H 4.700 . 4.700 4.214 3.881 4.891 0.191 13 0 "[ . 1 . 2]" 1
260 1 61 LEU H 1 61 LEU MD2 4.240 . 4.240 2.501 2.020 4.026 . 0 0 "[ . 1 . 2]" 1
261 1 61 LEU HA 1 61 LEU MD2 4.100 . 4.100 3.141 2.272 3.770 . 0 0 "[ . 1 . 2]" 1
262 1 61 LEU HB3 1 61 LEU MD2 3.580 . 3.580 3.041 2.260 3.209 . 0 0 "[ . 1 . 2]" 1
263 1 51 ILE H 1 51 ILE MG 3.770 . 3.770 3.742 3.712 3.779 0.009 10 0 "[ . 1 . 2]" 1
264 1 51 ILE MG 1 52 LYS H 3.630 . 3.630 2.796 2.658 3.103 . 0 0 "[ . 1 . 2]" 1
265 1 51 ILE HA 1 51 ILE MG 3.280 . 3.280 2.560 2.512 2.598 . 0 0 "[ . 1 . 2]" 1
266 1 51 ILE MG 1 55 ASP HB2 4.640 . 4.640 2.945 2.621 3.670 . 0 0 "[ . 1 . 2]" 1
267 1 48 GLN QB 1 51 ILE MG 4.640 . 4.640 4.554 4.348 4.695 0.055 16 0 "[ . 1 . 2]" 1
268 1 51 ILE MG 1 62 LYS QG 4.290 . 4.290 4.469 4.261 4.581 0.291 10 0 "[ . 1 . 2]" 1
269 1 51 ILE HG13 1 51 ILE MG 3.610 . 3.610 3.220 3.206 3.229 . 0 0 "[ . 1 . 2]" 1
270 1 51 ILE HG12 1 51 ILE MG 3.240 . 3.240 2.441 2.383 2.462 . 0 0 "[ . 1 . 2]" 1
271 1 29 LEU MD1 1 30 GLU H 4.470 . 4.470 4.359 4.233 4.480 0.010 12 0 "[ . 1 . 2]" 1
272 1 28 ASN HA 1 29 LEU MD1 4.240 . 4.240 3.175 3.063 3.291 . 0 0 "[ . 1 . 2]" 1
273 1 26 ASP HA 1 29 LEU MD1 3.820 . 3.820 2.197 1.980 2.513 . 0 0 "[ . 1 . 2]" 1
274 1 27 GLU QB 1 29 LEU MD1 4.170 . 4.170 4.323 4.263 4.551 0.381 19 0 "[ . 1 . 2]" 1
275 1 29 LEU HB3 1 29 LEU MD1 3.210 . 3.210 3.165 3.140 3.191 . 0 0 "[ . 1 . 2]" 1
276 1 29 LEU HB2 1 29 LEU MD1 2.700 . 2.700 2.231 2.193 2.264 . 0 0 "[ . 1 . 2]" 1
277 1 29 LEU H 1 29 LEU MD2 4.760 . 4.760 4.520 4.458 4.607 . 0 0 "[ . 1 . 2]" 1
278 1 26 ASP HA 1 29 LEU MD2 4.500 . 4.500 3.308 3.063 3.505 . 0 0 "[ . 1 . 2]" 1
279 1 29 LEU HB3 1 29 LEU MD2 3.050 . 3.050 2.203 2.187 2.222 . 0 0 "[ . 1 . 2]" 1
280 1 38 LEU MD2 1 61 LEU H 4.260 . 4.260 3.692 1.798 4.220 0.002 5 0 "[ . 1 . 2]" 1
281 1 38 LEU H 1 38 LEU MD2 4.090 . 4.090 3.101 2.501 3.935 . 0 0 "[ . 1 . 2]" 1
282 1 38 LEU MD2 1 60 TYR QD 5.260 . 5.260 5.130 3.491 5.437 0.177 13 0 "[ . 1 . 2]" 1
283 1 38 LEU MD2 1 60 TYR HB3 4.340 . 4.340 3.799 2.327 4.218 . 0 0 "[ . 1 . 2]" 1
284 1 38 LEU MD2 1 62 LYS QE 4.370 . 4.370 3.771 2.043 4.405 0.035 18 0 "[ . 1 . 2]" 1
285 1 38 LEU HB3 1 38 LEU MD2 3.360 . 3.360 2.447 2.261 2.608 . 0 0 "[ . 1 . 2]" 1
286 1 38 LEU HB2 1 38 LEU MD2 3.280 . 3.280 3.155 2.478 3.201 . 0 0 "[ . 1 . 2]" 1
287 1 13 VAL MG1 1 16 GLY H 5.400 . 5.400 4.935 4.744 5.151 . 0 0 "[ . 1 . 2]" 1
288 1 13 VAL H 1 13 VAL MG1 3.950 . 3.950 3.754 3.727 3.788 . 0 0 "[ . 1 . 2]" 1
289 1 13 VAL MG1 1 14 CYS H 3.920 . 3.920 3.290 3.179 3.434 . 0 0 "[ . 1 . 2]" 1
290 1 13 VAL MG1 1 52 LYS H 4.430 . 4.430 4.195 3.906 4.480 0.050 18 0 "[ . 1 . 2]" 1
291 1 13 VAL MG1 1 46 CYS HA 4.700 . 4.700 4.081 3.551 4.357 . 0 0 "[ . 1 . 2]" 1
292 1 13 VAL MG1 1 14 CYS HA 3.780 . 3.780 3.249 3.139 3.382 . 0 0 "[ . 1 . 2]" 1
293 1 13 VAL HA 1 13 VAL MG1 2.960 . 2.960 2.452 2.406 2.524 . 0 0 "[ . 1 . 2]" 1
294 1 13 VAL MG1 1 14 CYS HB2 4.400 . 4.400 4.142 3.991 4.399 . 0 0 "[ . 1 . 2]" 1
295 1 13 VAL MG1 1 52 LYS HB2 5.190 . 5.190 5.005 4.604 5.216 0.026 16 0 "[ . 1 . 2]" 1
296 1 13 VAL MG1 1 17 ALA MB 3.540 . 3.540 3.380 3.173 3.508 . 0 0 "[ . 1 . 2]" 1
297 1 38 LEU H 1 38 LEU MD1 4.090 . 4.090 3.636 1.920 3.880 . 0 0 "[ . 1 . 2]" 1
298 1 38 LEU MD1 1 60 TYR HB3 4.340 . 4.340 2.496 2.292 3.083 . 0 0 "[ . 1 . 2]" 1
299 1 38 LEU MD1 1 62 LYS QE 4.370 . 4.370 3.059 2.027 4.313 . 0 0 "[ . 1 . 2]" 1
300 1 38 LEU HB3 1 38 LEU MD1 3.360 . 3.360 2.370 2.249 3.205 . 0 0 "[ . 1 . 2]" 1
301 1 38 LEU HB2 1 38 LEU MD1 3.280 . 3.280 2.414 2.284 2.556 . 0 0 "[ . 1 . 2]" 1
302 1 13 VAL H 1 13 VAL MG2 3.200 . 3.200 2.223 2.066 2.404 . 0 0 "[ . 1 . 2]" 1
303 1 13 VAL MG2 1 14 CYS H 3.910 . 3.910 3.888 3.748 3.956 0.046 1 0 "[ . 1 . 2]" 1
304 1 13 VAL HA 1 13 VAL MG2 2.880 . 2.880 2.321 2.275 2.364 . 0 0 "[ . 1 . 2]" 1
305 1 12 GLN QG 1 13 VAL MG2 4.160 . 4.160 3.900 3.013 4.399 0.239 3 0 "[ . 1 . 2]" 1
306 1 13 VAL MG2 1 52 LYS HB2 4.920 . 4.920 5.010 4.882 5.125 0.205 15 0 "[ . 1 . 2]" 1
307 1 13 VAL MG2 1 62 LYS QD 4.350 . 4.350 4.273 3.900 4.482 0.132 4 0 "[ . 1 . 2]" 1
308 1 78 THR MG 1 79 ALA H 4.660 . 4.660 3.302 2.296 4.241 . 0 0 "[ . 1 . 2]" 1
309 1 77 THR MG 1 80 LYS H 5.170 . 5.170 3.820 1.800 5.141 . 16 0 "[ . 1 . 2]" 1
310 1 77 THR HA 1 77 THR MG 3.580 . 3.580 2.496 2.243 3.230 . 0 0 "[ . 1 . 2]" 1
311 1 77 THR MG 1 80 LYS HB2 4.270 . 4.270 3.369 1.831 4.411 0.141 11 0 "[ . 1 . 2]" 1
312 1 77 THR MG 1 80 LYS HB3 4.270 . 4.270 3.128 2.021 4.488 0.218 4 0 "[ . 1 . 2]" 1
313 1 77 THR MG 1 80 LYS QG 3.070 . 3.070 2.623 2.038 3.170 0.100 14 0 "[ . 1 . 2]" 1
314 1 51 ILE HG13 1 53 TYR H 5.970 . 5.970 5.978 5.910 6.028 0.058 9 0 "[ . 1 . 2]" 1
315 1 69 ALA H 1 69 ALA MB 3.350 . 3.350 2.505 2.217 2.907 . 0 0 "[ . 1 . 2]" 1
316 1 69 ALA MB 1 70 GLY H 3.870 . 3.870 2.462 1.772 3.559 0.028 16 0 "[ . 1 . 2]" 1
317 1 39 ARG QG 1 40 SER H 4.160 . 4.160 3.813 2.575 4.421 0.261 5 0 "[ . 1 . 2]" 1
318 1 51 ILE MG 1 52 LYS QG 4.540 . 4.540 2.881 2.579 3.361 . 0 0 "[ . 1 . 2]" 1
319 1 32 ALA H 1 32 ALA MB 2.990 . 2.990 2.249 2.231 2.258 . 0 0 "[ . 1 . 2]" 1
320 1 32 ALA MB 1 35 CYS H 4.600 . 4.600 4.142 3.926 4.287 . 0 0 "[ . 1 . 2]" 1
321 1 62 LYS QE 1 62 LYS QG 3.360 . 3.360 2.477 2.241 2.854 . 0 0 "[ . 1 . 2]" 1
322 1 13 VAL MG1 1 62 LYS QG 5.080 . 5.080 4.888 4.446 5.115 0.035 5 0 "[ . 1 . 2]" 1
323 1 17 ALA MB 1 19 ASP H 5.470 . 5.470 4.497 4.310 4.733 . 0 0 "[ . 1 . 2]" 1
324 1 17 ALA MB 1 46 CYS HA 4.480 . 4.480 3.795 3.496 4.349 . 0 0 "[ . 1 . 2]" 1
325 1 17 ALA MB 1 18 ARG HA 4.390 . 4.390 3.797 3.737 3.877 . 0 0 "[ . 1 . 2]" 1
326 1 38 LEU HB2 1 41 SER QB 5.750 . 5.750 5.446 5.064 5.702 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU QB 1 35 CYS QB 4.250 . 4.250 2.276 1.756 3.249 0.044 4 0 "[ . 1 . 2]" 1
328 1 80 LYS H 1 80 LYS QD 4.540 . 4.540 3.887 2.772 4.752 0.212 17 0 "[ . 1 . 2]" 1
329 1 37 LYS QD 1 38 LEU H 4.960 . 4.960 4.485 3.389 5.101 0.141 10 0 "[ . 1 . 2]" 1
330 1 52 LYS QD 1 53 TYR H 6.000 . 6.000 4.932 4.492 5.114 . 0 0 "[ . 1 . 2]" 1
331 1 80 LYS HA 1 80 LYS QD 4.400 . 4.400 3.614 1.963 4.502 0.102 14 0 "[ . 1 . 2]" 1
332 1 27 GLU QB 1 62 LYS QD 4.020 . 4.020 3.914 3.272 4.164 0.144 5 0 "[ . 1 . 2]" 1
333 1 36 LYS QB 1 36 LYS QD 2.750 . 2.750 2.315 2.118 2.818 0.068 3 0 "[ . 1 . 2]" 1
334 1 37 LYS QB 1 37 LYS QD 3.000 . 3.000 2.336 2.125 2.804 . 0 0 "[ . 1 . 2]" 1
335 1 52 LYS HB2 1 53 TYR H 3.930 . 3.930 3.223 3.027 3.412 . 0 0 "[ . 1 . 2]" 1
336 1 38 LEU HA 1 38 LEU HG 3.800 . 3.800 3.188 2.467 3.511 . 0 0 "[ . 1 . 2]" 1
337 1 51 ILE HB 1 53 TYR H 4.680 . 4.680 4.706 4.648 4.763 0.083 5 0 "[ . 1 . 2]" 1
338 1 51 ILE HB 1 52 LYS HA 4.700 . 4.700 4.465 4.379 4.544 . 0 0 "[ . 1 . 2]" 1
339 1 43 GLU QB 1 51 ILE MD 5.650 . 5.650 5.593 5.479 5.816 0.166 8 0 "[ . 1 . 2]" 1
340 1 18 ARG H 1 20 GLU QB 4.690 . 4.690 4.762 4.556 4.878 0.188 15 0 "[ . 1 . 2]" 1
341 1 27 GLU H 1 27 GLU HG3 3.870 . 3.870 3.150 1.752 4.102 0.232 20 0 "[ . 1 . 2]" 1
342 1 49 GLN QG 1 50 TRP H 4.310 . 4.310 3.634 3.103 4.255 . 0 0 "[ . 1 . 2]" 1
343 1 76 GLU HA 1 76 GLU QG 3.660 . 3.660 3.056 2.366 3.535 . 0 0 "[ . 1 . 2]" 1
344 1 49 GLN HA 1 49 GLN QG 3.300 . 3.300 2.710 2.413 3.120 . 0 0 "[ . 1 . 2]" 1
345 1 27 GLU H 1 27 GLU HG2 3.870 . 3.870 2.497 1.772 3.646 0.028 9 0 "[ . 1 . 2]" 1
346 1 27 GLU HG2 1 28 ASN H 4.420 . 4.420 4.129 2.111 4.666 0.246 20 0 "[ . 1 . 2]" 1
347 1 20 GLU HA 1 20 GLU HG3 3.360 . 3.360 3.108 2.856 3.677 0.317 16 0 "[ . 1 . 2]" 1
348 1 13 VAL MG2 1 48 GLN QG 4.650 . 4.650 2.080 1.798 2.514 0.002 8 0 "[ . 1 . 2]" 1
349 1 46 CYS HB2 1 51 ILE MD 4.530 . 4.530 4.380 4.154 4.533 0.003 7 0 "[ . 1 . 2]" 1
350 1 26 ASP HB3 1 27 GLU H 4.190 . 4.190 3.170 3.080 3.322 . 0 0 "[ . 1 . 2]" 1
351 1 38 LEU HB3 1 62 LYS QE 3.970 . 3.970 3.250 2.571 4.144 0.174 10 0 "[ . 1 . 2]" 1
352 1 62 LYS QB 1 62 LYS QE 3.290 . 3.290 2.079 1.911 3.009 . 0 0 "[ . 1 . 2]" 1
353 1 62 LYS QD 1 62 LYS QE 2.400 . 2.400 2.063 1.990 2.097 . 0 0 "[ . 1 . 2]" 1
354 1 36 LYS QB 1 36 LYS QE 3.600 . 3.600 3.068 1.929 3.810 0.210 16 0 "[ . 1 . 2]" 1
355 1 60 TYR HB3 1 61 LEU H 4.680 . 4.680 2.135 1.996 2.594 . 0 0 "[ . 1 . 2]" 1
356 1 51 ILE HA 1 52 LYS HA 4.810 . 4.810 4.610 4.533 4.712 . 0 0 "[ . 1 . 2]" 1
357 1 51 ILE HA 1 51 ILE HG13 4.070 . 4.070 2.827 2.768 2.934 . 0 0 "[ . 1 . 2]" 1
358 1 51 ILE HA 1 51 ILE HG12 3.520 . 3.520 2.397 2.344 2.469 . 0 0 "[ . 1 . 2]" 1
359 1 13 VAL HA 1 17 ALA MB 4.600 . 4.600 4.470 4.248 4.661 0.061 15 0 "[ . 1 . 2]" 1
360 1 69 ALA HA 1 70 GLY QA 4.580 . 4.580 4.243 3.861 4.474 . 0 0 "[ . 1 . 2]" 1
361 1 70 GLY QA 1 71 GLN HA 4.890 . 4.890 4.065 3.947 4.503 . 0 0 "[ . 1 . 2]" 1
362 1 74 PRO HA 1 75 SER QB 3.880 . 3.880 4.105 3.918 4.307 0.427 12 0 "[ . 1 . 2]" 1
363 1 48 GLN HA 1 51 ILE H 3.820 . 3.820 3.412 3.195 3.505 . 0 0 "[ . 1 . 2]" 1
364 1 48 GLN HA 1 52 LYS H 4.170 . 4.170 3.058 2.929 3.183 . 0 0 "[ . 1 . 2]" 1
365 1 48 GLN HA 1 48 GLN QG 3.490 . 3.490 2.428 2.379 2.501 . 0 0 "[ . 1 . 2]" 1
366 1 48 GLN HA 1 51 ILE HB 3.400 . 3.400 2.040 1.934 2.146 . 0 0 "[ . 1 . 2]" 1
367 1 48 GLN HA 1 51 ILE HG13 4.420 . 4.420 3.861 3.636 3.968 . 0 0 "[ . 1 . 2]" 1
368 1 48 GLN HA 1 51 ILE MG 4.010 . 4.010 3.284 3.122 3.517 . 0 0 "[ . 1 . 2]" 1
369 1 48 GLN HA 1 51 ILE MD 3.200 . 3.200 2.969 2.787 3.157 . 0 0 "[ . 1 . 2]" 1
370 1 15 TRP QB 1 16 GLY QA 4.520 . 4.520 3.825 3.672 3.958 . 0 0 "[ . 1 . 2]" 1
371 1 12 GLN HA 1 12 GLN QG 3.410 . 3.410 2.607 2.350 3.181 . 0 0 "[ . 1 . 2]" 1
372 1 20 GLU HA 1 20 GLU HG2 3.360 . 3.360 2.366 2.229 2.767 . 0 0 "[ . 1 . 2]" 1
373 1 29 LEU HA 1 30 GLU HA 4.680 . 4.680 4.725 4.620 4.797 0.117 5 0 "[ . 1 . 2]" 1
374 1 29 LEU HA 1 29 LEU HG 3.560 . 3.560 2.510 2.468 2.570 . 0 0 "[ . 1 . 2]" 1
375 1 27 GLU HA 1 27 GLU QB 2.720 . 2.720 2.326 2.142 2.521 . 0 0 "[ . 1 . 2]" 1
376 1 35 CYS HA 1 35 CYS QB 2.690 . 2.690 2.152 2.116 2.169 . 0 0 "[ . 1 . 2]" 1
377 1 52 LYS HA 1 52 LYS HB2 3.000 . 3.000 2.958 2.851 2.996 . 0 0 "[ . 1 . 2]" 1
378 1 52 LYS HA 1 52 LYS QD 2.780 . 2.780 1.906 1.803 2.128 . 0 0 "[ . 1 . 2]" 1
379 1 17 ALA HA 1 19 ASP H 4.690 . 4.690 4.460 4.164 4.636 . 0 0 "[ . 1 . 2]" 1
380 1 17 ALA HA 1 20 GLU H 3.970 . 3.970 3.475 3.074 3.687 . 0 0 "[ . 1 . 2]" 1
381 1 13 VAL MG1 1 17 ALA HA 5.310 . 5.310 5.184 4.949 5.398 0.088 9 0 "[ . 1 . 2]" 1
382 1 33 SER HA 1 33 SER QB 2.670 . 2.670 2.360 2.276 2.413 . 0 0 "[ . 1 . 2]" 1
383 1 42 PHE HA 1 42 PHE QD 3.920 . 3.920 2.794 2.196 3.038 . 0 0 "[ . 1 . 2]" 1
384 1 38 LEU HA 1 41 SER QB 3.420 . 3.420 3.006 2.530 3.397 . 0 0 "[ . 1 . 2]" 1
385 1 75 SER HA 1 75 SER QB 2.700 . 2.700 2.310 2.144 2.439 . 0 0 "[ . 1 . 2]" 1
386 1 51 ILE HA 1 51 ILE MD 3.900 . 3.900 3.756 3.727 3.787 . 0 0 "[ . 1 . 2]" 1
387 1 60 TYR QE 1 61 LEU MD2 4.860 . 4.860 3.654 2.754 5.040 0.180 12 0 "[ . 1 . 2]" 1
388 1 51 ILE MG 1 52 LYS HA 3.850 . 3.850 2.912 2.802 3.200 . 0 0 "[ . 1 . 2]" 1
389 1 51 ILE MG 1 52 LYS QD 4.880 . 4.880 3.081 2.378 4.394 . 0 0 "[ . 1 . 2]" 1
390 1 51 ILE MG 1 62 LYS QD 5.510 . 5.510 5.024 4.251 5.318 . 0 0 "[ . 1 . 2]" 1
391 1 29 LEU HA 1 29 LEU MD2 3.860 . 3.860 3.650 3.597 3.696 . 0 0 "[ . 1 . 2]" 1
392 1 38 LEU MD1 1 59 ASP HA 4.520 . 4.520 3.092 2.432 4.554 0.034 5 0 "[ . 1 . 2]" 1
393 1 38 LEU MD1 1 60 TYR HB2 4.300 . 4.300 3.384 2.921 3.725 . 0 0 "[ . 1 . 2]" 1
394 1 25 LEU H 1 39 ARG QG 4.440 . 4.440 4.165 2.401 4.578 0.138 15 0 "[ . 1 . 2]" 1
395 1 24 CYS QB 1 39 ARG QG 4.080 . 4.080 2.771 1.945 3.538 . 0 0 "[ . 1 . 2]" 1
396 1 13 VAL MG1 1 52 LYS QG 4.340 . 4.340 3.518 3.117 4.208 . 0 0 "[ . 1 . 2]" 1
397 1 36 LYS HA 1 36 LYS HG2 3.990 . 3.990 3.113 2.498 3.745 . 0 0 "[ . 1 . 2]" 1
398 1 62 LYS HA 1 62 LYS QG 3.890 . 3.890 2.667 2.317 2.879 . 0 0 "[ . 1 . 2]" 1
399 1 17 ALA MB 1 20 GLU H 4.660 . 4.660 4.580 4.329 4.716 0.056 15 0 "[ . 1 . 2]" 1
400 1 17 ALA MB 1 42 PHE HB3 4.210 . 4.210 1.959 1.790 2.331 0.010 14 0 "[ . 1 . 2]" 1
401 1 36 LYS HA 1 36 LYS HG3 3.990 . 3.990 3.115 2.439 3.822 . 0 0 "[ . 1 . 2]" 1
402 1 48 GLN QG 1 52 LYS QD 3.760 . 3.760 3.639 3.293 4.064 0.304 4 0 "[ . 1 . 2]" 1
403 1 12 GLN QG 1 13 VAL H 4.800 . 4.800 3.893 3.319 4.287 . 0 0 "[ . 1 . 2]" 1
404 1 48 GLN QG 1 52 LYS HA 4.220 . 4.220 4.282 4.009 4.466 0.246 14 0 "[ . 1 . 2]" 1
405 1 48 GLN QG 1 51 ILE HB 3.610 . 3.610 3.583 3.380 3.671 0.061 11 0 "[ . 1 . 2]" 1
406 1 72 PHE HB3 1 73 GLU H 4.110 . 4.110 3.314 2.182 4.114 0.004 8 0 "[ . 1 . 2]" 1
407 1 60 TYR HB2 1 63 PHE QD 4.790 . 4.790 4.929 4.214 5.082 0.292 8 0 "[ . 1 . 2]" 1
408 1 68 GLU H 1 68 GLU QG 4.830 . 4.830 3.210 1.849 4.483 . 0 0 "[ . 1 . 2]" 1
409 1 24 CYS QB 1 39 ARG HA 4.700 . 4.700 4.401 3.858 4.862 0.162 3 0 "[ . 1 . 2]" 1
410 1 53 TYR H 1 54 PHE QB 4.950 . 4.950 4.606 4.354 4.846 . 0 0 "[ . 1 . 2]" 1
411 1 61 LEU HA 1 63 PHE QD 4.730 . 4.730 4.781 4.294 4.932 0.202 12 0 "[ . 1 . 2]" 1
412 1 25 LEU MD1 1 61 LEU HA 5.510 . 5.510 4.461 4.056 5.561 0.051 13 0 "[ . 1 . 2]" 1
413 1 25 LEU MD2 1 61 LEU HA 5.510 . 5.510 4.706 4.447 4.976 . 0 0 "[ . 1 . 2]" 1
414 1 32 ALA HA 1 34 GLN H 4.030 . 4.030 3.906 3.637 4.127 0.097 18 0 "[ . 1 . 2]" 1
415 1 32 ALA HA 1 33 SER QB 5.260 . 5.260 5.148 5.040 5.288 0.028 11 0 "[ . 1 . 2]" 1
416 1 45 SER QB 1 47 PRO QG 4.210 . 4.210 3.055 2.637 3.525 . 0 0 "[ . 1 . 2]" 1
417 1 29 LEU HA 1 29 LEU MD1 3.180 . 3.180 3.215 3.170 3.272 0.092 6 0 "[ . 1 . 2]" 1
418 1 52 LYS HA 1 52 LYS QE 3.590 . 3.590 2.839 2.287 3.685 0.095 19 0 "[ . 1 . 2]" 1
419 1 60 TYR HA 1 63 PHE QD 3.270 . 3.270 2.651 1.922 2.949 . 0 0 "[ . 1 . 2]" 1
420 1 60 TYR HA 1 61 LEU HA 4.680 . 4.680 4.642 4.576 4.720 0.040 5 0 "[ . 1 . 2]" 1
421 1 38 LEU HG 1 59 ASP HA 4.070 . 4.070 4.168 3.743 4.282 0.212 17 0 "[ . 1 . 2]" 1
422 1 12 GLN QB 1 13 VAL H 4.170 . 4.170 2.513 2.313 2.723 . 0 0 "[ . 1 . 2]" 1
423 1 25 LEU MD2 1 62 LYS H 5.060 . 5.060 4.103 3.307 5.243 0.183 7 0 "[ . 1 . 2]" 1
424 1 51 ILE MD 1 52 LYS QG 5.380 . 5.380 4.926 4.612 5.473 0.093 4 0 "[ . 1 . 2]" 1
425 1 30 GLU H 1 61 LEU MD2 4.790 . 4.790 3.750 1.763 4.809 0.037 13 0 "[ . 1 . 2]" 1
426 1 51 ILE MG 1 55 ASP HB3 4.640 . 4.640 3.368 2.918 4.033 . 0 0 "[ . 1 . 2]" 1
427 1 25 LEU MD1 1 62 LYS H 5.060 . 5.060 4.666 3.668 5.226 0.166 19 0 "[ . 1 . 2]" 1
428 1 42 PHE H 1 51 ILE MG 4.440 . 4.440 3.720 3.363 4.092 . 0 0 "[ . 1 . 2]" 1
429 1 60 TYR QE 1 61 LEU MD1 4.860 . 4.860 3.125 2.560 4.116 . 0 0 "[ . 1 . 2]" 1
430 1 42 PHE HB3 1 51 ILE MG 4.860 . 4.860 3.938 3.584 4.453 . 0 0 "[ . 1 . 2]" 1
431 1 25 LEU MD1 1 29 LEU H 5.520 . 5.520 3.281 1.772 5.418 0.028 4 0 "[ . 1 . 2]" 1
432 1 28 ASN HB2 1 29 LEU MD1 4.640 . 4.640 4.557 4.383 4.662 0.022 14 0 "[ . 1 . 2]" 1
433 1 38 LEU MD2 1 59 ASP HA 4.520 . 4.520 1.899 1.757 3.410 0.043 3 0 "[ . 1 . 2]" 1
434 1 38 LEU MD2 1 60 TYR HB2 4.300 . 4.300 3.837 3.469 4.161 . 0 0 "[ . 1 . 2]" 1
435 1 38 LEU MD1 1 60 TYR QD 5.260 . 5.260 4.055 3.768 4.412 . 0 0 "[ . 1 . 2]" 1
436 1 77 THR MG 1 80 LYS QE 4.760 . 4.760 3.850 2.604 4.750 . 0 0 "[ . 1 . 2]" 1
437 1 38 LEU MD1 1 39 ARG H 4.810 . 4.810 4.540 4.021 4.810 0.000 20 0 "[ . 1 . 2]" 1
438 1 18 ARG QB 1 19 ASP HA 4.670 . 4.670 4.133 3.850 4.398 . 0 0 "[ . 1 . 2]" 1
439 1 38 LEU HG 1 60 TYR QD 5.830 . 5.830 5.867 5.504 6.096 0.266 5 0 "[ . 1 . 2]" 1
440 1 38 LEU HG 1 39 ARG H 5.110 . 5.110 4.402 4.199 5.117 0.007 5 0 "[ . 1 . 2]" 1
441 1 12 GLN QG 1 14 CYS H 5.930 . 5.930 5.760 5.202 6.083 0.153 18 0 "[ . 1 . 2]" 1
442 1 60 TYR HB3 1 63 PHE QD 5.160 . 5.160 5.081 4.614 5.214 0.054 3 0 "[ . 1 . 2]" 1
443 1 45 SER QB 1 51 ILE HG12 5.130 . 5.130 4.143 3.385 5.015 . 0 0 "[ . 1 . 2]" 1
444 1 31 ASP H 1 61 LEU MD2 5.080 . 5.080 2.291 1.752 2.964 0.048 12 0 "[ . 1 . 2]" 1
445 1 25 LEU MD2 1 29 LEU H 5.520 . 5.520 4.475 2.935 4.922 . 0 0 "[ . 1 . 2]" 1
446 1 3 MET ME 1 3 MET QG 3.310 . 3.310 2.312 2.218 2.469 . 0 0 "[ . 1 . 2]" 1
447 1 12 GLN QE 1 27 GLU HA 5.040 . 5.040 4.917 4.347 5.308 0.268 18 0 "[ . 1 . 2]" 1
448 1 12 GLN QE 1 27 GLU QB 5.280 . 5.280 4.555 3.555 5.269 . 0 0 "[ . 1 . 2]" 1
449 1 12 GLN QE 1 27 GLU QG 5.270 . 5.270 3.794 2.678 5.434 0.164 19 0 "[ . 1 . 2]" 1
450 1 12 GLN QE 1 62 LYS QG 5.490 . 5.490 5.152 3.981 5.590 0.100 7 0 "[ . 1 . 2]" 1
451 1 12 GLN QE 1 62 LYS QD 4.730 . 4.730 4.025 3.400 4.837 0.107 16 0 "[ . 1 . 2]" 1
452 1 13 VAL MG1 1 47 PRO QD 5.740 . 5.740 5.484 5.302 5.774 0.034 10 0 "[ . 1 . 2]" 1
453 1 17 ALA HA 1 20 GLU QG 4.080 . 4.080 3.674 2.397 4.138 0.058 3 0 "[ . 1 . 2]" 1
454 1 18 ARG QB 1 19 ASP QB 4.680 . 4.680 3.926 3.657 4.322 . 0 0 "[ . 1 . 2]" 1
455 1 18 ARG QG 1 19 ASP H 4.340 . 4.340 3.733 3.279 4.060 . 0 0 "[ . 1 . 2]" 1
456 1 19 ASP QB 1 20 GLU H 3.390 . 3.390 2.639 2.382 2.860 . 0 0 "[ . 1 . 2]" 1
457 1 19 ASP QB 1 20 GLU HA 4.160 . 4.160 4.032 3.815 4.165 0.005 8 0 "[ . 1 . 2]" 1
458 1 19 ASP QB 1 20 GLU QG 4.090 . 4.090 3.517 3.374 3.805 . 0 0 "[ . 1 . 2]" 1
459 1 20 GLU H 1 20 GLU QG 3.340 . 3.340 2.619 2.354 2.828 . 0 0 "[ . 1 . 2]" 1
460 1 20 GLU QG 1 26 ASP QB 3.300 . 3.300 2.838 2.125 3.430 0.130 16 0 "[ . 1 . 2]" 1
461 1 21 TYR QB 1 22 TRP H 4.010 . 4.010 2.666 2.385 3.564 . 0 0 "[ . 1 . 2]" 1
462 1 22 TRP H 1 22 TRP QB 3.290 . 3.290 2.327 2.224 2.499 . 0 0 "[ . 1 . 2]" 1
463 1 25 LEU QB 1 25 LEU QD 2.800 . 2.800 2.009 1.922 2.096 . 0 0 "[ . 1 . 2]" 1
464 1 25 LEU QD 1 29 LEU H 4.540 . 4.540 3.025 1.771 4.378 0.029 4 0 "[ . 1 . 2]" 1
465 1 25 LEU QD 1 35 CYS QB 3.970 . 3.970 2.217 1.894 2.893 . 0 0 "[ . 1 . 2]" 1
466 1 25 LEU QD 1 38 LEU QD 3.930 . 3.930 1.813 1.703 1.998 0.097 13 0 "[ . 1 . 2]" 1
467 1 25 LEU QD 1 60 TYR HB3 3.930 . 3.930 3.977 3.416 4.240 0.310 16 0 "[ . 1 . 2]" 1
468 1 25 LEU QD 1 60 TYR QE 5.600 . 5.600 5.530 5.022 5.875 0.275 8 0 "[ . 1 . 2]" 1
469 1 25 LEU QD 1 61 LEU HA 4.720 . 4.720 4.048 3.797 4.476 . 0 0 "[ . 1 . 2]" 1
470 1 25 LEU QD 1 61 LEU HB2 3.370 . 3.370 1.970 1.734 2.219 0.066 1 0 "[ . 1 . 2]" 1
471 1 25 LEU QD 1 61 LEU QD 4.160 . 4.160 1.802 1.661 2.062 0.139 18 0 "[ . 1 . 2]" 1
472 1 25 LEU QD 1 62 LYS H 4.100 . 4.100 3.786 3.219 4.217 0.117 5 0 "[ . 1 . 2]" 1
473 1 25 LEU QD 1 62 LYS QE 3.890 . 3.890 3.001 2.112 3.931 0.041 3 0 "[ . 1 . 2]" 1
474 1 26 ASP QB 1 27 GLU H 3.550 . 3.550 3.075 2.985 3.203 . 0 0 "[ . 1 . 2]" 1
475 1 27 GLU H 1 27 GLU QG 3.180 . 3.180 2.166 1.746 3.229 0.054 6 0 "[ . 1 . 2]" 1
476 1 27 GLU QB 1 61 LEU QD 4.930 . 4.930 4.292 2.799 5.183 0.253 19 0 "[ . 1 . 2]" 1
477 1 27 GLU QG 1 28 ASN HD21 4.100 . 4.100 3.903 1.736 4.223 0.123 2 0 "[ . 1 . 2]" 1
478 1 27 GLU QG 1 28 ASN HD22 4.780 . 4.780 4.365 2.901 4.848 0.068 10 0 "[ . 1 . 2]" 1
479 1 27 GLU QG 1 62 LYS QD 3.430 . 3.430 2.980 2.345 3.779 0.349 8 0 "[ . 1 . 2]" 1
480 1 27 GLU QG 1 62 LYS QE 4.370 . 4.370 3.421 2.052 4.575 0.205 4 0 "[ . 1 . 2]" 1
481 1 28 ASN H 1 61 LEU QD 4.930 . 4.930 3.953 2.360 4.804 . 0 0 "[ . 1 . 2]" 1
482 1 28 ASN HB2 1 61 LEU QD 4.400 . 4.400 2.802 1.811 4.315 . 0 0 "[ . 1 . 2]" 1
483 1 28 ASN HD21 1 61 LEU QD 5.140 . 5.140 3.588 2.186 5.144 0.004 10 0 "[ . 1 . 2]" 1
484 1 29 LEU H 1 61 LEU QD 4.460 . 4.460 3.642 2.113 4.543 0.083 17 0 "[ . 1 . 2]" 1
485 1 30 GLU H 1 30 GLU QB 3.280 . 3.280 2.332 2.209 2.594 . 0 0 "[ . 1 . 2]" 1
486 1 30 GLU H 1 61 LEU QD 3.860 . 3.860 2.569 1.734 3.331 0.066 5 0 "[ . 1 . 2]" 1
487 1 30 GLU HA 1 61 LEU QD 4.330 . 4.330 3.950 3.605 4.600 0.270 3 0 "[ . 1 . 2]" 1
488 1 30 GLU QB 1 30 GLU QG 2.310 . 2.310 2.030 1.978 2.087 . 0 0 "[ . 1 . 2]" 1
489 1 30 GLU QB 1 31 ASP H 4.270 . 4.270 2.631 2.468 3.472 . 0 0 "[ . 1 . 2]" 1
490 1 30 GLU QB 1 61 LEU QD 3.760 . 3.760 1.969 1.760 3.461 0.040 1 0 "[ . 1 . 2]" 1
491 1 31 ASP H 1 61 LEU QD 3.970 . 3.970 1.902 1.653 2.231 0.147 12 0 "[ . 1 . 2]" 1
492 1 31 ASP HB2 1 61 LEU QD 4.540 . 4.540 2.779 2.385 3.248 . 0 0 "[ . 1 . 2]" 1
493 1 31 ASP HB3 1 61 LEU QD 3.780 . 3.780 1.923 1.762 2.405 0.038 7 0 "[ . 1 . 2]" 1
494 1 32 ALA H 1 61 LEU QD 3.960 . 3.960 4.143 3.969 4.215 0.255 10 0 "[ . 1 . 2]" 1
495 1 32 ALA HA 1 61 LEU QD 3.620 . 3.620 3.826 3.536 4.021 0.401 7 0 "[ . 1 . 2]" 1
496 1 36 LYS H 1 36 LYS QG 4.640 . 4.640 2.855 1.930 4.053 . 0 0 "[ . 1 . 2]" 1
497 1 36 LYS HA 1 36 LYS QG 3.440 . 3.440 2.658 2.393 3.366 . 0 0 "[ . 1 . 2]" 1
498 1 37 LYS QB 1 38 LEU QD 4.900 . 4.900 3.170 2.327 3.781 . 0 0 "[ . 1 . 2]" 1
499 1 38 LEU H 1 38 LEU QD 3.550 . 3.550 2.851 1.916 3.222 . 0 0 "[ . 1 . 2]" 1
500 1 38 LEU HA 1 38 LEU QD 2.850 . 2.850 2.035 1.921 2.760 . 0 0 "[ . 1 . 2]" 1
501 1 38 LEU HB3 1 38 LEU QD 2.760 . 2.760 2.124 2.105 2.218 . 0 0 "[ . 1 . 2]" 1
502 1 38 LEU QD 1 41 SER H 5.460 . 5.460 4.734 4.434 5.088 . 0 0 "[ . 1 . 2]" 1
503 1 38 LEU QD 1 41 SER QB 4.240 . 4.240 3.848 3.407 4.523 0.283 5 0 "[ . 1 . 2]" 1
504 1 38 LEU QD 1 59 ASP HA 3.800 . 3.800 1.876 1.737 3.319 0.063 20 0 "[ . 1 . 2]" 1
505 1 38 LEU QD 1 60 TYR HB2 3.170 . 3.170 3.156 2.837 3.352 0.182 3 0 "[ . 1 . 2]" 1
506 1 38 LEU QD 1 60 TYR HB3 3.280 . 3.280 2.427 2.262 2.566 . 0 0 "[ . 1 . 2]" 1
507 1 38 LEU QD 1 60 TYR QD 4.120 . 4.120 3.878 3.366 4.031 . 0 0 "[ . 1 . 2]" 1
508 1 38 LEU QD 1 61 LEU H 3.310 . 3.310 2.004 1.781 2.238 0.019 10 0 "[ . 1 . 2]" 1
509 1 38 LEU QD 1 62 LYS QE 3.770 . 3.770 2.833 2.013 3.531 . 0 0 "[ . 1 . 2]" 1
510 1 38 LEU QD 1 63 PHE QD 5.470 . 5.470 4.594 4.360 5.109 . 0 0 "[ . 1 . 2]" 1
511 1 42 PHE H 1 43 GLU QG 5.200 . 5.200 3.984 3.803 4.411 . 0 0 "[ . 1 . 2]" 1
512 1 43 GLU H 1 43 GLU QG 3.080 . 3.080 2.150 1.964 2.402 . 0 0 "[ . 1 . 2]" 1
513 1 43 GLU HA 1 43 GLU QG 3.520 . 3.520 3.135 2.323 3.343 . 0 0 "[ . 1 . 2]" 1
514 1 43 GLU QG 1 44 SER H 4.040 . 4.040 3.254 2.983 4.195 0.155 14 0 "[ . 1 . 2]" 1
515 1 45 SER H 1 46 CYS QB 5.290 . 5.290 4.761 4.722 4.818 . 0 0 "[ . 1 . 2]" 1
516 1 46 CYS H 1 46 CYS QB 3.240 . 3.240 3.091 3.033 3.124 . 0 0 "[ . 1 . 2]" 1
517 1 47 PRO QD 1 51 ILE MD 4.630 . 4.630 3.793 3.472 3.927 . 0 0 "[ . 1 . 2]" 1
518 1 48 GLN QE 1 51 ILE MG 4.620 . 4.620 4.709 4.620 4.838 0.218 16 0 "[ . 1 . 2]" 1
519 1 48 GLN QE 1 52 LYS QD 4.620 . 4.620 3.566 2.920 4.637 0.017 20 0 "[ . 1 . 2]" 1
520 1 51 ILE MG 1 55 ASP QB 3.860 . 3.860 2.764 2.443 3.405 . 0 0 "[ . 1 . 2]" 1
521 1 52 LYS H 1 55 ASP QB 5.020 . 5.020 4.240 4.012 5.091 0.071 5 0 "[ . 1 . 2]" 1
522 1 52 LYS HA 1 55 ASP QB 3.930 . 3.930 2.054 1.811 3.352 . 0 0 "[ . 1 . 2]" 1
523 1 53 TYR QB 1 54 PHE H 4.240 . 4.240 2.397 2.287 2.572 . 0 0 "[ . 1 . 2]" 1
524 1 58 ARG QB 1 59 ASP H 4.090 . 4.090 3.278 2.296 3.623 . 0 0 "[ . 1 . 2]" 1
525 1 58 ARG QB 1 60 TYR H 5.580 . 5.580 4.902 3.174 5.629 0.049 20 0 "[ . 1 . 2]" 1
526 1 59 ASP H 1 59 ASP QB 3.520 . 3.520 2.258 2.177 2.866 . 0 0 "[ . 1 . 2]" 1
527 1 60 TYR HA 1 61 LEU QD 4.710 . 4.710 4.140 3.966 4.644 . 0 0 "[ . 1 . 2]" 1
528 1 60 TYR HB2 1 61 LEU QD 4.350 . 4.350 3.693 3.399 4.362 0.012 5 0 "[ . 1 . 2]" 1
529 1 60 TYR QD 1 61 LEU QD 4.470 . 4.470 1.807 1.699 1.972 0.101 8 0 "[ . 1 . 2]" 1
530 1 60 TYR QE 1 61 LEU QD 4.110 . 4.110 2.836 2.496 3.102 . 0 0 "[ . 1 . 2]" 1
531 1 61 LEU H 1 61 LEU QD 3.170 . 3.170 2.242 2.003 2.570 . 0 0 "[ . 1 . 2]" 1
532 1 61 LEU HA 1 61 LEU QD 2.860 . 2.860 1.998 1.821 2.531 . 0 0 "[ . 1 . 2]" 1
533 1 61 LEU QD 1 62 LYS H 3.950 . 3.950 3.858 3.668 4.029 0.079 13 0 "[ . 1 . 2]" 1
534 1 72 PHE QB 1 73 GLU H 3.320 . 3.320 2.730 2.074 3.425 0.105 5 0 "[ . 1 . 2]" 1
535 1 74 PRO QB 1 75 SER H 3.690 . 3.690 3.134 1.775 3.712 0.025 5 0 "[ . 1 . 2]" 1
536 1 76 GLU H 1 76 GLU QB 3.480 . 3.480 2.654 2.250 3.190 . 0 0 "[ . 1 . 2]" 1
537 1 76 GLU QB 1 76 GLU QG 2.400 . 2.400 2.045 1.986 2.087 . 0 0 "[ . 1 . 2]" 1
538 1 77 THR MG 1 80 LYS QB 3.630 . 3.630 2.655 1.814 3.577 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 238
_Distance_constraint_stats_list.Viol_total 245.920
_Distance_constraint_stats_list.Viol_max 0.185
_Distance_constraint_stats_list.Viol_rms 0.0341
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0192
_Distance_constraint_stats_list.Viol_average_violations_only 0.0517
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 12 GLN 0.481 0.103 1 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 2.156 0.129 18 0 "[ . 1 . 2]"
1 15 TRP 0.402 0.109 10 0 "[ . 1 . 2]"
1 16 GLY 1.577 0.122 10 0 "[ . 1 . 2]"
1 17 ALA 1.050 0.185 1 0 "[ . 1 . 2]"
1 18 ARG 2.156 0.129 18 0 "[ . 1 . 2]"
1 19 ASP 0.402 0.109 10 0 "[ . 1 . 2]"
1 20 GLU 1.096 0.122 10 0 "[ . 1 . 2]"
1 21 TYR 1.050 0.185 1 0 "[ . 1 . 2]"
1 34 GLN 0.502 0.143 5 0 "[ . 1 . 2]"
1 35 CYS 0.713 0.112 11 0 "[ . 1 . 2]"
1 36 LYS 1.225 0.126 19 0 "[ . 1 . 2]"
1 37 LYS 0.954 0.132 11 0 "[ . 1 . 2]"
1 38 LEU 0.960 0.143 5 0 "[ . 1 . 2]"
1 39 ARG 0.771 0.112 11 0 "[ . 1 . 2]"
1 40 SER 1.225 0.126 19 0 "[ . 1 . 2]"
1 41 SER 0.954 0.132 11 0 "[ . 1 . 2]"
1 42 PHE 0.458 0.097 13 0 "[ . 1 . 2]"
1 43 GLU 0.058 0.028 13 0 "[ . 1 . 2]"
1 49 GLN 2.141 0.171 7 0 "[ . 1 . 2]"
1 50 TRP 0.563 0.097 3 0 "[ . 1 . 2]"
1 51 ILE 0.416 0.108 4 0 "[ . 1 . 2]"
1 52 LYS 0.080 0.039 16 0 "[ . 1 . 2]"
1 53 TYR 2.141 0.171 7 0 "[ . 1 . 2]"
1 54 PHE 0.563 0.097 3 0 "[ . 1 . 2]"
1 55 ASP 0.416 0.108 4 0 "[ . 1 . 2]"
1 56 LYS 0.080 0.039 16 0 "[ . 1 . 2]"
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 12 GLN O 1 16 GLY H 2.220 . 2.220 2.002 1.697 2.318 0.103 1 0 "[ . 1 . 2]" 2
2 1 12 GLN O 1 16 GLY N 3.130 . 3.130 2.797 2.593 2.995 . 0 0 "[ . 1 . 2]" 2
3 1 13 VAL O 1 17 ALA H 2.220 . 2.220 1.979 1.870 2.198 . 0 0 "[ . 1 . 2]" 2
4 1 13 VAL O 1 17 ALA N 3.130 . 3.130 2.867 2.770 3.049 . 0 0 "[ . 1 . 2]" 2
5 1 14 CYS O 1 18 ARG H 2.220 . 2.220 2.277 2.216 2.336 0.116 18 0 "[ . 1 . 2]" 2
6 1 14 CYS O 1 18 ARG N 3.130 . 3.130 3.173 3.046 3.259 0.129 18 0 "[ . 1 . 2]" 2
7 1 15 TRP O 1 19 ASP H 2.220 . 2.220 1.982 1.811 2.311 0.091 10 0 "[ . 1 . 2]" 2
8 1 15 TRP O 1 19 ASP N 3.130 . 3.130 2.901 2.697 3.239 0.109 10 0 "[ . 1 . 2]" 2
9 1 16 GLY O 1 20 GLU H 2.220 . 2.220 1.749 1.678 1.827 0.122 10 0 "[ . 1 . 2]" 2
10 1 16 GLY O 1 20 GLU N 3.130 . 3.130 2.667 2.621 2.743 . 0 0 "[ . 1 . 2]" 2
11 1 17 ALA O 1 21 TYR H 2.220 . 2.220 2.257 2.082 2.405 0.185 1 0 "[ . 1 . 2]" 2
12 1 17 ALA O 1 21 TYR N 3.130 . 3.130 2.985 2.853 3.150 0.020 16 0 "[ . 1 . 2]" 2
13 1 34 GLN O 1 38 LEU H 2.220 . 2.220 2.090 1.895 2.306 0.086 5 0 "[ . 1 . 2]" 2
14 1 34 GLN O 1 38 LEU N 3.130 . 3.130 3.061 2.874 3.273 0.143 5 0 "[ . 1 . 2]" 2
15 1 35 CYS O 1 39 ARG H 2.220 . 2.220 1.766 1.688 1.827 0.112 11 0 "[ . 1 . 2]" 2
16 1 35 CYS O 1 39 ARG N 3.130 . 3.130 2.711 2.641 2.773 . 0 0 "[ . 1 . 2]" 2
17 1 36 LYS O 1 40 SER H 2.220 . 2.220 2.247 2.034 2.346 0.126 19 0 "[ . 1 . 2]" 2
18 1 36 LYS O 1 40 SER N 3.130 . 3.130 3.124 2.910 3.239 0.109 19 0 "[ . 1 . 2]" 2
19 1 37 LYS O 1 41 SER H 2.220 . 2.220 2.222 1.985 2.352 0.132 11 0 "[ . 1 . 2]" 2
20 1 37 LYS O 1 41 SER N 3.130 . 3.130 3.054 2.815 3.219 0.089 16 0 "[ . 1 . 2]" 2
21 1 38 LEU O 1 42 PHE H 2.220 . 2.220 2.184 1.951 2.317 0.097 13 0 "[ . 1 . 2]" 2
22 1 38 LEU O 1 42 PHE N 3.130 . 3.130 3.076 2.853 3.188 0.058 13 0 "[ . 1 . 2]" 2
23 1 39 ARG O 1 43 GLU H 2.220 . 2.220 1.949 1.779 2.248 0.028 13 0 "[ . 1 . 2]" 2
24 1 39 ARG O 1 43 GLU N 3.130 . 3.130 2.867 2.752 3.022 . 0 0 "[ . 1 . 2]" 2
25 1 49 GLN O 1 53 TYR H 2.220 . 2.220 2.309 2.167 2.391 0.171 7 0 "[ . 1 . 2]" 2
26 1 49 GLN O 1 53 TYR N 3.130 . 3.130 3.118 2.995 3.220 0.090 7 0 "[ . 1 . 2]" 2
27 1 50 TRP O 1 54 PHE H 2.220 . 2.220 2.070 1.742 2.252 0.058 5 0 "[ . 1 . 2]" 2
28 1 50 TRP O 1 54 PHE N 3.130 . 3.130 3.043 2.706 3.227 0.097 3 0 "[ . 1 . 2]" 2
29 1 51 ILE O 1 55 ASP H 2.220 . 2.220 1.839 1.692 2.230 0.108 4 0 "[ . 1 . 2]" 2
30 1 51 ILE O 1 55 ASP N 3.130 . 3.130 2.763 2.637 3.146 0.016 5 0 "[ . 1 . 2]" 2
31 1 52 LYS O 1 56 LYS H 2.220 . 2.220 2.051 1.786 2.259 0.039 16 0 "[ . 1 . 2]" 2
32 1 52 LYS O 1 56 LYS N 3.130 . 3.130 2.875 2.730 3.085 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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