NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637668 |
6hj7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6hj7
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 396
_Distance_constraint_stats_list.Viol_count 862
_Distance_constraint_stats_list.Viol_total 2591.333
_Distance_constraint_stats_list.Viol_max 1.480
_Distance_constraint_stats_list.Viol_rms 0.0933
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.1503
_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 0.492 0.194 2 0 "[ . 1 . 2]"
1 2 ASP 1.185 0.224 5 0 "[ . 1 . 2]"
1 3 LEU 16.375 1.338 4 13 "[ +. * *****-** ***]"
1 4 GLY 16.387 1.338 4 13 "[ +. * *****-** ***]"
1 5 CYS 1.006 0.563 10 1 "[ . + . 2]"
1 6 GLN 0.979 0.563 10 1 "[ . + . 2]"
1 7 LEU 3.331 0.397 20 0 "[ . 1 . 2]"
1 8 TYR 4.667 0.397 20 0 "[ . 1 . 2]"
1 9 LEU 4.900 0.531 10 2 "[ -. + . 2]"
1 10 HIS 0.512 0.497 14 0 "[ . 1 . 2]"
1 11 ILE 0.948 0.547 11 1 "[ . 1+ . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLN 1.071 0.580 11 1 "[ . 1+ . 2]"
1 14 GLN 0.394 0.280 18 0 "[ . 1 . 2]"
1 15 GLN 1.761 0.765 20 2 "[ . 1 -. +]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 2.641 0.366 18 0 "[ . 1 . 2]"
1 18 GLU 0.639 0.603 9 1 "[ . +1 . 2]"
1 19 VAL 1.026 0.801 11 1 "[ . 1+ . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.112 0.036 13 0 "[ . 1 . 2]"
1 23 LEU 0.018 0.012 13 0 "[ . 1 . 2]"
1 24 MET 1.719 0.438 14 0 "[ . 1 . 2]"
1 25 MET 12.360 0.723 11 5 "[ *.- **1+ . 2]"
1 26 GLY 8.430 0.723 11 5 "[ *.- **1+ . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 2.321 0.414 17 0 "[ . 1 . 2]"
1 31 GLY 2.006 0.414 17 0 "[ . 1 . 2]"
1 32 TRP 0.139 0.040 18 0 "[ . 1 . 2]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.046 0.014 15 0 "[ . 1 . 2]"
1 35 LEU 1.051 0.129 16 0 "[ . 1 . 2]"
1 36 ALA 0.411 0.065 19 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.118 0.118 6 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.014 0.013 1 0 "[ . 1 . 2]"
1 47 GLU 0.003 0.003 1 0 "[ . 1 . 2]"
1 48 THR 16.437 1.480 9 14 "[* **.-**+1 * ** ****]"
1 49 MET 0.304 0.065 19 0 "[ . 1 . 2]"
1 50 ALA 0.170 0.056 10 0 "[ . 1 . 2]"
1 51 CYS 0.040 0.040 19 0 "[ . 1 . 2]"
1 52 ASP 30.031 1.480 9 18 "[*****-**+*** ** ****]"
1 53 GLN 14.291 0.882 11 15 "[** *******+- *. ** *]"
1 54 MET 1.590 0.374 18 0 "[ . 1 . 2]"
1 55 PRO 0.930 0.112 8 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.529 0.279 2 0 "[ . 1 . 2]"
1 58 THR 1.182 0.179 10 0 "[ . 1 . 2]"
1 59 LEU 0.663 0.091 10 0 "[ . 1 . 2]"
1 60 LEU 0.563 0.091 10 0 "[ . 1 . 2]"
1 61 ARG 0.317 0.139 19 0 "[ . 1 . 2]"
1 62 ASN 0.583 0.450 16 0 "[ . 1 . 2]"
1 63 TRP 3.771 0.450 16 0 "[ . 1 . 2]"
1 64 ALA 0.308 0.089 8 0 "[ . 1 . 2]"
1 65 ALA 0.038 0.026 11 0 "[ . 1 . 2]"
1 66 GLN 1.507 0.088 16 0 "[ . 1 . 2]"
1 67 GLU 3.024 0.518 17 1 "[ . 1 . + 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 4.357 0.388 11 0 "[ . 1 . 2]"
1 71 ALA 0.160 0.047 18 0 "[ . 1 . 2]"
1 72 THR 0.036 0.022 2 0 "[ . 1 . 2]"
1 73 LEU 0.008 0.008 15 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.036 0.022 2 0 "[ . 1 . 2]"
1 76 LEU 0.592 0.060 2 0 "[ . 1 . 2]"
1 77 GLU 1.384 0.247 10 0 "[ . 1 . 2]"
1 78 ASP 1.423 0.308 15 0 "[ . 1 . 2]"
1 79 ALA 1.440 0.308 15 0 "[ . 1 . 2]"
1 80 LEU 0.624 0.118 6 0 "[ . 1 . 2]"
1 81 ALA 0.490 0.066 19 0 "[ . 1 . 2]"
1 82 ALA 1.500 0.075 18 0 "[ . 1 . 2]"
1 83 ILE 1.431 0.075 18 0 "[ . 1 . 2]"
1 84 GLY 0.204 0.020 2 0 "[ . 1 . 2]"
1 85 ARG 0.712 0.130 4 0 "[ . 1 . 2]"
1 86 GLU 0.754 0.397 19 0 "[ . 1 . 2]"
1 87 ASP 0.481 0.250 19 0 "[ . 1 . 2]"
1 88 VAL 13.533 0.593 19 1 "[ . 1 . +2]"
1 89 VAL 8.027 0.593 19 1 "[ . 1 . +2]"
1 90 GLN 0.040 0.037 13 0 "[ . 1 . 2]"
1 91 VAL 2.297 0.614 16 2 "[ .- 1 .+ 2]"
1 92 LEU 6.035 0.801 11 2 "[ .- 1+ . 2]"
1 93 SER 1.470 0.866 20 1 "[ . 1 . +]"
1 94 SER 1.391 0.866 20 1 "[ . 1 . +]"
1 95 PRO 1.014 0.345 9 0 "[ . 1 . 2]"
1 96 ALA 1.014 0.345 9 0 "[ . 1 . 2]"
1 97 GLU 0.150 0.150 19 0 "[ . 1 . 2]"
1 101 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 VAL 0.000 0.000 . 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 1 101 VAL H 1 102 VAL H . . 5.070 3.975 1.977 4.625 . 0 0 "[ . 1 . 2]" 1
2 1 89 VAL H 1 90 GLN H . . 3.360 2.624 2.467 2.823 . 0 0 "[ . 1 . 2]" 1
3 1 89 VAL H 1 89 VAL HB . . 3.050 2.512 2.442 2.659 . 0 0 "[ . 1 . 2]" 1
4 1 86 GLU HA 1 89 VAL H . . 3.450 3.290 3.117 3.556 0.106 19 0 "[ . 1 . 2]" 1
5 1 88 VAL HB 1 89 VAL H . . 3.360 3.747 3.484 3.953 0.593 19 1 "[ . 1 . +2]" 1
6 1 42 GLN QB 1 43 ALA H . . 5.020 2.539 1.965 3.529 . 0 0 "[ . 1 . 2]" 1
7 1 42 GLN HA 1 43 ALA H . . 2.900 2.472 2.205 2.720 . 0 0 "[ . 1 . 2]" 1
8 1 92 LEU H 1 93 SER H . . 3.210 2.435 2.263 2.679 . 0 0 "[ . 1 . 2]" 1
9 1 15 GLN HA 1 18 GLU H . . 3.830 3.432 3.229 3.630 . 0 0 "[ . 1 . 2]" 1
10 1 18 GLU H 1 18 GLU HB3 . . 3.110 2.779 2.383 3.129 0.019 15 0 "[ . 1 . 2]" 1
11 1 18 GLU H 1 18 GLU HB2 . . 2.990 2.365 2.087 3.593 0.603 9 1 "[ . +1 . 2]" 1
12 1 87 ASP H 1 87 ASP HB3 . . 3.330 2.909 2.453 3.244 . 0 0 "[ . 1 . 2]" 1
13 1 85 ARG HA 1 87 ASP H . . 3.610 3.451 3.280 3.589 . 0 0 "[ . 1 . 2]" 1
14 1 86 GLU HB3 1 87 ASP H . . 3.480 2.877 2.752 3.730 0.250 19 0 "[ . 1 . 2]" 1
15 1 87 ASP H 1 87 ASP HB2 . . 3.330 2.320 2.069 3.561 0.231 18 0 "[ . 1 . 2]" 1
16 1 87 ASP H 1 88 VAL H . . 3.210 2.974 2.842 3.027 . 0 0 "[ . 1 . 2]" 1
17 1 61 ARG HA 1 64 ALA H . . 4.140 3.976 3.599 4.229 0.089 8 0 "[ . 1 . 2]" 1
18 1 63 TRP HB3 1 64 ALA H . . 3.670 2.255 2.035 2.476 . 0 0 "[ . 1 . 2]" 1
19 1 63 TRP H 1 64 ALA H . . 3.240 2.903 2.691 3.044 . 0 0 "[ . 1 . 2]" 1
20 1 63 TRP HB2 1 64 ALA H . . 3.860 3.658 3.347 3.873 0.013 18 0 "[ . 1 . 2]" 1
21 1 50 ALA H 1 51 CYS H . . 3.550 2.704 2.551 2.815 . 0 0 "[ . 1 . 2]" 1
22 1 49 MET HB2 1 50 ALA H . . 3.730 3.696 3.588 3.786 0.056 10 0 "[ . 1 . 2]" 1
23 1 15 GLN H 1 16 GLN H . . 3.050 2.584 2.414 2.720 . 0 0 "[ . 1 . 2]" 1
24 1 14 GLN H 1 15 GLN H . . 3.360 2.883 2.621 2.979 . 0 0 "[ . 1 . 2]" 1
25 1 14 GLN H 1 14 GLN HB2 . . 3.110 2.353 2.064 2.765 . 0 0 "[ . 1 . 2]" 1
26 1 13 GLN H 1 14 GLN H . . 3.450 2.733 2.598 2.836 . 0 0 "[ . 1 . 2]" 1
27 1 14 GLN H 1 14 GLN HB3 . . 3.020 2.737 2.306 3.300 0.280 18 0 "[ . 1 . 2]" 1
28 1 10 HIS H 1 10 HIS HB2 . . 3.140 2.519 2.262 3.637 0.497 14 0 "[ . 1 . 2]" 1
29 1 9 LEU H 1 10 HIS H . . 3.480 2.505 2.191 2.708 . 0 0 "[ . 1 . 2]" 1
30 1 10 HIS H 1 10 HIS HB3 . . 3.050 2.800 2.499 3.065 0.015 1 0 "[ . 1 . 2]" 1
31 1 80 LEU H 1 80 LEU HB3 . . 3.300 2.569 2.429 2.810 . 0 0 "[ . 1 . 2]" 1
32 1 77 GLU HA 1 80 LEU H . . 3.860 3.880 3.860 3.937 0.077 3 0 "[ . 1 . 2]" 1
33 1 80 LEU H 1 80 LEU HB2 . . 3.610 2.537 2.321 2.699 . 0 0 "[ . 1 . 2]" 1
34 1 13 GLN HA 1 16 GLN H . . 4.010 3.352 3.229 3.506 . 0 0 "[ . 1 . 2]" 1
35 1 15 GLN QB 1 16 GLN H . . 4.610 2.680 2.429 3.496 . 0 0 "[ . 1 . 2]" 1
36 1 21 ARG H 1 22 LEU H . . 3.520 2.613 2.430 2.788 . 0 0 "[ . 1 . 2]" 1
37 1 75 VAL H 1 75 VAL HB . . 3.020 2.405 2.322 2.469 . 0 0 "[ . 1 . 2]" 1
38 1 75 VAL H 1 76 LEU H . . 3.330 2.649 2.547 2.770 . 0 0 "[ . 1 . 2]" 1
39 1 74 ARG QB 1 75 VAL H . . 4.580 2.843 2.471 3.513 . 0 0 "[ . 1 . 2]" 1
40 1 43 ALA H 1 44 GLU H . . 3.640 2.748 2.545 2.875 . 0 0 "[ . 1 . 2]" 1
41 1 44 GLU H 1 45 ALA H . . 3.170 2.612 2.475 2.774 . 0 0 "[ . 1 . 2]" 1
42 1 48 THR HA 1 51 CYS H . . 4.170 3.774 3.483 3.987 . 0 0 "[ . 1 . 2]" 1
43 1 36 ALA H 1 37 GLY H . . 3.450 2.884 2.762 2.988 . 0 0 "[ . 1 . 2]" 1
44 1 37 GLY H 1 38 HIS H . . 3.050 2.769 2.631 2.918 . 0 0 "[ . 1 . 2]" 1
45 1 93 SER H 1 94 SER H . . 3.210 3.027 2.412 4.076 0.866 20 1 "[ . 1 . +]" 1
46 1 22 LEU H 1 22 LEU HB2 . . 3.640 2.225 2.157 2.361 . 0 0 "[ . 1 . 2]" 1
47 1 19 VAL HA 1 22 LEU H . . 4.350 3.438 3.259 3.745 . 0 0 "[ . 1 . 2]" 1
48 1 85 ARG H 1 85 ARG HB2 . . 3.520 2.519 2.168 3.650 0.130 4 0 "[ . 1 . 2]" 1
49 1 81 ALA HA 1 85 ARG H . . 3.550 2.752 2.502 3.278 . 0 0 "[ . 1 . 2]" 1
50 1 85 ARG H 1 85 ARG HB3 . . 3.700 3.545 2.697 3.713 0.013 13 0 "[ . 1 . 2]" 1
51 1 11 ILE H 1 11 ILE HB . . 3.670 3.372 2.194 3.615 . 0 0 "[ . 1 . 2]" 1
52 1 77 GLU H 1 77 GLU HB2 . . 3.170 2.358 2.062 2.743 . 0 0 "[ . 1 . 2]" 1
53 1 76 LEU HB2 1 77 GLU H . . 3.640 3.622 3.386 3.695 0.055 13 0 "[ . 1 . 2]" 1
54 1 74 ARG HA 1 77 GLU H . . 3.760 3.337 3.107 3.665 . 0 0 "[ . 1 . 2]" 1
55 1 76 LEU H 1 77 GLU H . . 3.450 2.470 2.379 2.589 . 0 0 "[ . 1 . 2]" 1
56 1 77 GLU H 1 77 GLU HB3 . . 3.330 3.029 2.397 3.577 0.247 10 0 "[ . 1 . 2]" 1
57 1 77 GLU H 1 78 ASP H . . 3.480 2.728 2.532 2.815 . 0 0 "[ . 1 . 2]" 1
58 1 48 THR H 1 48 THR HB . . 3.110 2.520 2.358 2.592 . 0 0 "[ . 1 . 2]" 1
59 1 48 THR H 1 49 MET H . . 3.270 2.773 2.645 2.917 . 0 0 "[ . 1 . 2]" 1
60 1 47 GLU QB 1 48 THR H . . 4.580 2.637 2.345 3.473 . 0 0 "[ . 1 . 2]" 1
61 1 47 GLU H 1 48 THR H . . 3.360 2.550 2.454 2.633 . 0 0 "[ . 1 . 2]" 1
62 1 90 GLN HB3 1 91 VAL H . . 3.210 2.682 2.377 2.953 . 0 0 "[ . 1 . 2]" 1
63 1 91 VAL H 1 92 LEU H . . 2.960 2.655 2.508 2.813 . 0 0 "[ . 1 . 2]" 1
64 1 90 GLN H 1 91 VAL H . . 3.390 2.547 2.375 2.706 . 0 0 "[ . 1 . 2]" 1
65 1 88 VAL HA 1 91 VAL H . . 3.610 3.445 3.117 3.657 0.047 16 0 "[ . 1 . 2]" 1
66 1 91 VAL H 1 91 VAL HB . . 2.990 2.571 2.131 3.604 0.614 16 2 "[ .- 1 .+ 2]" 1
67 1 92 LEU H 1 92 LEU HB2 . . 3.170 2.627 2.043 3.600 0.430 7 0 "[ . 1 . 2]" 1
68 1 91 VAL HB 1 92 LEU H . . 3.390 2.816 2.320 3.619 0.229 14 0 "[ . 1 . 2]" 1
69 1 92 LEU H 1 92 LEU HB3 . . 3.270 2.934 2.067 3.502 0.232 10 0 "[ . 1 . 2]" 1
70 1 22 LEU H 1 23 LEU H . . 3.360 2.809 2.623 2.937 . 0 0 "[ . 1 . 2]" 1
71 1 60 LEU H 1 60 LEU HB3 . . 3.520 3.498 3.455 3.538 0.018 6 0 "[ . 1 . 2]" 1
72 1 60 LEU H 1 60 LEU HB2 . . 3.140 2.192 2.138 2.264 . 0 0 "[ . 1 . 2]" 1
73 1 59 LEU H 1 60 LEU H . . 3.360 2.780 2.578 3.007 . 0 0 "[ . 1 . 2]" 1
74 1 23 LEU H 1 24 MET H . . 3.110 2.744 2.575 2.804 . 0 0 "[ . 1 . 2]" 1
75 1 24 MET H 1 24 MET HB3 . . 3.580 3.618 3.542 3.728 0.148 2 0 "[ . 1 . 2]" 1
76 1 24 MET H 1 24 MET HB2 . . 3.300 2.409 2.261 2.712 . 0 0 "[ . 1 . 2]" 1
77 1 24 MET H 1 25 MET H . . 3.050 2.793 2.513 2.899 . 0 0 "[ . 1 . 2]" 1
78 1 66 GLN HB2 1 67 GLU H . . 3.300 2.800 2.412 3.310 0.010 3 0 "[ . 1 . 2]" 1
79 1 67 GLU H 1 67 GLU HB2 . . 3.390 2.574 2.232 2.901 . 0 0 "[ . 1 . 2]" 1
80 1 66 GLN HA 1 67 GLU H . . 3.480 3.555 3.486 3.568 0.088 16 0 "[ . 1 . 2]" 1
81 1 67 GLU H 1 67 GLU HB3 . . 3.700 3.616 2.307 3.761 0.061 13 0 "[ . 1 . 2]" 1
82 1 58 THR H 1 58 THR HB . . 3.210 2.546 2.485 2.613 . 0 0 "[ . 1 . 2]" 1
83 1 57 TYR HB3 1 58 THR H . . 3.480 2.571 2.227 3.268 . 0 0 "[ . 1 . 2]" 1
84 1 57 TYR HB2 1 58 THR H . . 3.580 3.427 2.795 3.759 0.179 10 0 "[ . 1 . 2]" 1
85 1 57 TYR H 1 58 THR H . . 3.140 2.619 2.507 2.711 . 0 0 "[ . 1 . 2]" 1
86 1 58 THR H 1 59 LEU H . . 3.330 2.678 2.509 2.872 . 0 0 "[ . 1 . 2]" 1
87 1 55 PRO HA 1 58 THR H . . 3.640 3.683 3.595 3.752 0.112 8 0 "[ . 1 . 2]" 1
88 1 90 GLN H 1 90 GLN HB3 . . 2.830 2.532 2.311 2.867 0.037 13 0 "[ . 1 . 2]" 1
89 1 89 VAL HB 1 90 GLN H . . 3.420 2.703 2.321 2.967 . 0 0 "[ . 1 . 2]" 1
90 1 87 ASP HA 1 90 GLN H . . 4.010 3.583 3.303 3.813 . 0 0 "[ . 1 . 2]" 1
91 1 39 LEU H 1 39 LEU HB2 . . 3.580 2.236 2.162 2.387 . 0 0 "[ . 1 . 2]" 1
92 1 38 HIS HB3 1 39 LEU H . . 3.830 2.700 2.534 2.896 . 0 0 "[ . 1 . 2]" 1
93 1 8 TYR HB2 1 9 LEU H . . 3.640 3.259 2.506 3.957 0.317 8 0 "[ . 1 . 2]" 1
94 1 9 LEU H 1 9 LEU HB2 . . 3.330 2.383 2.065 3.593 0.263 8 0 "[ . 1 . 2]" 1
95 1 8 TYR H 1 9 LEU H . . 3.580 2.604 2.440 2.794 . 0 0 "[ . 1 . 2]" 1
96 1 8 TYR HB3 1 9 LEU H . . 3.700 3.248 2.661 3.882 0.182 1 0 "[ . 1 . 2]" 1
97 1 9 LEU H 1 9 LEU HB3 . . 3.050 3.084 2.373 3.581 0.531 10 2 "[ -. + . 2]" 1
98 1 39 LEU HB2 1 40 GLY H . . 3.860 3.137 3.062 3.189 . 0 0 "[ . 1 . 2]" 1
99 1 39 LEU H 1 40 GLY H . . 3.080 2.546 2.510 2.563 . 0 0 "[ . 1 . 2]" 1
100 1 39 LEU HA 1 40 GLY H . . 3.450 3.443 3.441 3.445 . 0 0 "[ . 1 . 2]" 1
101 1 40 GLY H 1 41 TYR H . . 2.960 2.132 1.909 2.501 . 0 0 "[ . 1 . 2]" 1
102 1 66 GLN H 1 66 GLN HB2 . . 3.480 2.222 2.093 2.503 . 0 0 "[ . 1 . 2]" 1
103 1 66 GLN H 1 67 GLU H . . 2.990 2.643 2.539 2.855 . 0 0 "[ . 1 . 2]" 1
104 1 62 ASN HA 1 66 GLN H . . 4.140 3.767 2.986 4.134 . 0 0 "[ . 1 . 2]" 1
105 1 66 GLN H 1 66 GLN HB3 . . 3.670 3.394 2.974 3.589 . 0 0 "[ . 1 . 2]" 1
106 1 84 GLY H 1 85 ARG H . . 3.300 2.234 2.137 2.380 . 0 0 "[ . 1 . 2]" 1
107 1 81 ALA HA 1 84 GLY H . . 3.610 3.295 3.205 3.405 . 0 0 "[ . 1 . 2]" 1
108 1 53 GLN QB 1 54 MET H . . 4.580 2.999 1.913 3.914 . 0 0 "[ . 1 . 2]" 1
109 1 53 GLN HA 1 54 MET H . . 3.480 3.279 2.195 3.568 0.088 13 0 "[ . 1 . 2]" 1
110 1 80 LEU HB3 1 81 ALA H . . 3.730 2.590 2.368 2.730 . 0 0 "[ . 1 . 2]" 1
111 1 83 ILE H 1 84 GLY H . . 3.110 2.444 2.434 2.456 . 0 0 "[ . 1 . 2]" 1
112 1 83 ILE H 1 83 ILE HB . . 3.730 2.504 2.498 2.514 . 0 0 "[ . 1 . 2]" 1
113 1 82 ALA HA 1 83 ILE H . . 3.420 3.470 3.435 3.495 0.075 18 0 "[ . 1 . 2]" 1
114 1 35 LEU HB2 1 36 ALA H . . 3.480 2.894 2.334 3.372 . 0 0 "[ . 1 . 2]" 1
115 1 33 GLN HA 1 36 ALA H . . 3.890 3.545 3.328 3.824 . 0 0 "[ . 1 . 2]" 1
116 1 67 GLU H 1 68 GLY H . . 3.210 2.481 2.367 2.824 . 0 0 "[ . 1 . 2]" 1
117 1 8 TYR H 1 8 TYR HB2 . . 3.420 2.427 2.066 3.605 0.185 20 0 "[ . 1 . 2]" 1
118 1 7 LEU HA 1 8 TYR H . . 3.140 2.692 2.139 3.537 0.397 20 0 "[ . 1 . 2]" 1
119 1 7 LEU HB3 1 8 TYR H . . 3.450 3.128 2.102 3.509 0.059 15 0 "[ . 1 . 2]" 1
120 1 8 TYR H 1 8 TYR HB3 . . 3.300 3.149 2.361 3.601 0.301 6 0 "[ . 1 . 2]" 1
121 1 60 LEU H 1 61 ARG H . . 3.300 2.723 2.510 2.906 . 0 0 "[ . 1 . 2]" 1
122 1 61 ARG H 1 61 ARG HB2 . . 3.550 2.476 2.060 3.581 0.031 18 0 "[ . 1 . 2]" 1
123 1 61 ARG H 1 61 ARG HB3 . . 3.240 2.711 2.385 3.270 0.030 16 0 "[ . 1 . 2]" 1
124 1 41 TYR H 1 41 TYR QB . . 3.670 2.281 2.187 2.477 . 0 0 "[ . 1 . 2]" 1
125 1 73 LEU H 1 73 LEU HB2 . . 3.210 2.495 2.209 2.746 . 0 0 "[ . 1 . 2]" 1
126 1 72 THR HA 1 73 LEU H . . 2.990 2.343 2.175 2.692 . 0 0 "[ . 1 . 2]" 1
127 1 52 ASP QB 1 53 GLN H . . 4.770 2.788 1.890 3.969 . 0 0 "[ . 1 . 2]" 1
128 1 53 GLN H 1 54 MET H . . 3.300 2.566 1.941 3.439 0.139 3 0 "[ . 1 . 2]" 1
129 1 52 ASP HA 1 53 GLN H . . 3.110 2.562 2.196 3.561 0.451 13 0 "[ . 1 . 2]" 1
130 1 97 GLU H 1 97 GLU HB3 . . 3.830 3.266 2.448 3.980 0.150 19 0 "[ . 1 . 2]" 1
131 1 97 GLU H 1 97 GLU HB2 . . 4.110 2.793 2.186 3.882 . 0 0 "[ . 1 . 2]" 1
132 1 41 TYR QB 1 42 GLN H . . 3.170 2.929 2.468 3.128 . 0 0 "[ . 1 . 2]" 1
133 1 41 TYR HA 1 42 GLN H . . 2.710 2.227 2.165 2.370 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLU H 1 19 VAL H . . 3.360 2.837 2.544 3.013 . 0 0 "[ . 1 . 2]" 1
135 1 19 VAL H 1 19 VAL HB . . 3.240 2.549 2.421 2.684 . 0 0 "[ . 1 . 2]" 1
136 1 70 ARG H 1 70 ARG HB2 . . 3.360 3.000 2.080 3.748 0.388 11 0 "[ . 1 . 2]" 1
137 1 70 ARG H 1 70 ARG HB3 . . 3.450 3.204 2.666 3.712 0.262 8 0 "[ . 1 . 2]" 1
138 1 35 LEU H 1 35 LEU HB3 . . 4.040 3.293 2.935 3.585 . 0 0 "[ . 1 . 2]" 1
139 1 35 LEU H 1 35 LEU HB2 . . 3.830 2.189 2.041 2.480 . 0 0 "[ . 1 . 2]" 1
140 1 34 GLU H 1 35 LEU H . . 3.920 2.779 2.632 2.918 . 0 0 "[ . 1 . 2]" 1
141 1 60 LEU HA 1 63 TRP H . . 3.610 3.537 3.401 3.665 0.055 16 0 "[ . 1 . 2]" 1
142 1 62 ASN HB3 1 63 TRP H . . 3.450 3.396 2.917 3.900 0.450 16 0 "[ . 1 . 2]" 1
143 1 63 TRP H 1 63 TRP HB3 . . 3.330 2.550 2.241 2.946 . 0 0 "[ . 1 . 2]" 1
144 1 62 ASN HB2 1 63 TRP H . . 3.270 2.934 2.675 3.302 0.032 16 0 "[ . 1 . 2]" 1
145 1 63 TRP H 1 63 TRP HB2 . . 3.140 2.532 2.187 2.863 . 0 0 "[ . 1 . 2]" 1
146 1 76 LEU H 1 76 LEU HB2 . . 3.520 2.371 2.290 2.480 . 0 0 "[ . 1 . 2]" 1
147 1 76 LEU H 1 76 LEU HB3 . . 3.390 2.736 2.610 2.828 . 0 0 "[ . 1 . 2]" 1
148 1 13 GLN H 1 13 GLN HB3 . . 3.080 2.776 2.375 3.571 0.491 5 0 "[ . 1 . 2]" 1
149 1 12 PRO HA 1 13 GLN H . . 2.860 2.261 2.165 2.343 . 0 0 "[ . 1 . 2]" 1
150 1 13 GLN H 1 13 GLN HB2 . . 2.990 2.427 2.128 3.570 0.580 11 1 "[ . 1+ . 2]" 1
151 1 29 ALA HA 1 30 LYS H . . 3.080 2.248 2.140 2.473 . 0 0 "[ . 1 . 2]" 1
152 1 46 VAL HA 1 49 MET H . . 3.950 3.798 3.582 3.963 0.013 1 0 "[ . 1 . 2]" 1
153 1 49 MET H 1 49 MET HB3 . . 3.950 2.665 2.581 2.808 . 0 0 "[ . 1 . 2]" 1
154 1 48 THR HB 1 49 MET H . . 3.390 2.442 2.175 2.762 . 0 0 "[ . 1 . 2]" 1
155 1 64 ALA H 1 65 ALA H . . 3.580 2.624 2.459 2.705 . 0 0 "[ . 1 . 2]" 1
156 1 62 ASN HA 1 65 ALA H . . 3.610 3.550 3.279 3.636 0.026 11 0 "[ . 1 . 2]" 1
157 1 65 ALA H 1 66 GLN H . . 3.240 2.664 2.429 2.860 . 0 0 "[ . 1 . 2]" 1
158 1 28 PRO HA 1 29 ALA H . . 3.300 2.194 2.150 2.409 . 0 0 "[ . 1 . 2]" 1
159 1 28 PRO HB2 1 29 ALA H . . 4.200 3.397 2.591 3.744 . 0 0 "[ . 1 . 2]" 1
160 1 38 HIS H 1 38 HIS HB3 . . 3.210 2.769 2.469 3.109 . 0 0 "[ . 1 . 2]" 1
161 1 38 HIS H 1 38 HIS HB2 . . 3.270 2.328 2.101 2.592 . 0 0 "[ . 1 . 2]" 1
162 1 34 GLU H 1 34 GLU HB3 . . 3.580 3.263 2.346 3.594 0.014 15 0 "[ . 1 . 2]" 1
163 1 33 GLN H 1 34 GLU H . . 3.610 2.705 2.560 2.875 . 0 0 "[ . 1 . 2]" 1
164 1 34 GLU H 1 34 GLU HB2 . . 3.610 2.433 2.173 3.567 . 0 0 "[ . 1 . 2]" 1
165 1 79 ALA H 1 80 LEU H . . 3.110 2.758 2.665 2.800 . 0 0 "[ . 1 . 2]" 1
166 1 78 ASP HB3 1 79 ALA H . . 3.450 2.848 2.237 3.758 0.308 15 0 "[ . 1 . 2]" 1
167 1 76 LEU HA 1 79 ALA H . . 4.140 3.637 3.433 3.956 . 0 0 "[ . 1 . 2]" 1
168 1 78 ASP HB2 1 79 ALA H . . 3.330 3.000 2.323 3.584 0.254 3 0 "[ . 1 . 2]" 1
169 1 78 ASP HA 1 79 ALA H . . 3.550 3.564 3.548 3.569 0.019 19 0 "[ . 1 . 2]" 1
170 1 78 ASP H 1 79 ALA H . . 3.240 2.642 2.465 2.711 . 0 0 "[ . 1 . 2]" 1
171 1 70 ARG H 1 71 ALA H . . 3.020 2.421 1.958 2.634 . 0 0 "[ . 1 . 2]" 1
172 1 61 ARG HB2 1 62 ASN H . . 4.140 3.553 2.944 3.896 . 0 0 "[ . 1 . 2]" 1
173 1 59 LEU HA 1 62 ASN H . . 4.760 3.894 3.477 4.087 . 0 0 "[ . 1 . 2]" 1
174 1 62 ASN H 1 62 ASN HB3 . . 4.040 3.454 2.794 3.540 . 0 0 "[ . 1 . 2]" 1
175 1 62 ASN H 1 63 TRP H . . 3.210 2.658 2.547 2.767 . 0 0 "[ . 1 . 2]" 1
176 1 61 ARG HB3 1 62 ASN H . . 4.260 2.430 2.168 3.902 . 0 0 "[ . 1 . 2]" 1
177 1 62 ASN H 1 62 ASN HB2 . . 3.730 2.263 2.077 3.566 . 0 0 "[ . 1 . 2]" 1
178 1 17 GLU H 1 18 GLU H . . 3.390 2.611 2.416 2.744 . 0 0 "[ . 1 . 2]" 1
179 1 16 GLN H 1 17 GLU H . . 3.420 2.811 2.450 2.994 . 0 0 "[ . 1 . 2]" 1
180 1 17 GLU H 1 17 GLU HB3 . . 3.210 3.091 2.394 3.576 0.366 18 0 "[ . 1 . 2]" 1
181 1 17 GLU H 1 17 GLU HB2 . . 4.140 2.576 2.064 3.621 . 0 0 "[ . 1 . 2]" 1
182 1 16 GLN QB 1 17 GLU H . . 4.360 2.498 2.115 3.498 . 0 0 "[ . 1 . 2]" 1
183 1 14 GLN HA 1 17 GLU H . . 3.980 3.938 3.616 4.012 0.032 1 0 "[ . 1 . 2]" 1
184 1 43 ALA HA 1 46 VAL H . . 4.350 3.795 3.503 4.143 . 0 0 "[ . 1 . 2]" 1
185 1 46 VAL H 1 46 VAL HB . . 3.920 2.507 2.204 2.594 . 0 0 "[ . 1 . 2]" 1
186 1 46 VAL H 1 47 GLU H . . 3.790 2.756 2.527 2.829 . 0 0 "[ . 1 . 2]" 1
187 1 51 CYS H 1 52 ASP H . . 3.110 2.698 2.251 3.150 0.040 19 0 "[ . 1 . 2]" 1
188 1 51 CYS QB 1 52 ASP H . . 4.950 2.700 2.016 3.559 . 0 0 "[ . 1 . 2]" 1
189 1 52 ASP H 1 53 GLN H . . 3.760 4.219 2.818 4.642 0.882 11 15 "[** *******+- *. ** *]" 1
190 1 48 THR HA 1 52 ASP H . . 4.070 4.872 3.695 5.550 1.480 9 14 "[* **.-**+1 * ** ****]" 1
191 1 57 TYR H 1 57 TYR HB3 . . 3.210 2.925 2.367 3.489 0.279 2 0 "[ . 1 . 2]" 1
192 1 57 TYR H 1 57 TYR HB2 . . 3.140 2.262 2.074 2.752 . 0 0 "[ . 1 . 2]" 1
193 1 2 ASP H 1 2 ASP HB2 . . 3.790 3.137 2.235 4.014 0.224 5 0 "[ . 1 . 2]" 1
194 1 1 PRO HB2 1 2 ASP H . . 4.070 3.361 2.017 4.264 0.194 2 0 "[ . 1 . 2]" 1
195 1 1 PRO HA 1 2 ASP H . . 2.960 2.360 2.150 3.013 0.053 7 0 "[ . 1 . 2]" 1
196 1 2 ASP H 1 2 ASP HB3 . . 3.670 3.342 2.509 3.818 0.148 7 0 "[ . 1 . 2]" 1
197 1 26 GLY H 1 27 GLU H . . 3.520 2.891 2.757 3.392 . 0 0 "[ . 1 . 2]" 1
198 1 44 GLU QB 1 45 ALA H . . 4.980 2.876 2.486 3.467 . 0 0 "[ . 1 . 2]" 1
199 1 42 GLN QB 1 45 ALA H . . 5.020 2.860 2.134 3.994 . 0 0 "[ . 1 . 2]" 1
200 1 45 ALA H 1 46 VAL H . . 3.210 2.748 2.478 2.862 . 0 0 "[ . 1 . 2]" 1
201 1 44 GLU HA 1 45 ALA H . . 3.550 3.516 3.489 3.543 . 0 0 "[ . 1 . 2]" 1
202 1 59 LEU H 1 59 LEU HB3 . . 3.450 2.355 2.213 2.610 . 0 0 "[ . 1 . 2]" 1
203 1 59 LEU H 1 59 LEU HB2 . . 3.550 2.684 2.412 2.852 . 0 0 "[ . 1 . 2]" 1
204 1 3 LEU H 1 3 LEU HB2 . . 3.830 2.717 2.158 3.844 0.014 15 0 "[ . 1 . 2]" 1
205 1 3 LEU H 1 4 GLY H . . 3.300 3.658 2.080 4.638 1.338 4 12 "[ +. * *****-.* ***]" 1
206 1 5 CYS H 1 6 GLN H . . 3.670 3.020 1.896 4.233 0.563 10 1 "[ . + . 2]" 1
207 1 19 VAL H 1 20 GLN H . . 3.300 2.756 2.502 2.948 . 0 0 "[ . 1 . 2]" 1
208 1 19 VAL HB 1 20 GLN H . . 3.300 2.400 2.181 2.741 . 0 0 "[ . 1 . 2]" 1
209 1 86 GLU H 1 87 ASP H . . 3.240 2.410 2.318 2.626 . 0 0 "[ . 1 . 2]" 1
210 1 86 GLU H 1 86 GLU HB2 . . 3.210 2.620 2.259 3.607 0.397 19 0 "[ . 1 . 2]" 1
211 1 85 ARG HA 1 86 GLU H . . 3.170 2.350 2.170 2.724 . 0 0 "[ . 1 . 2]" 1
212 1 86 GLU H 1 86 GLU HB3 . . 3.080 2.560 2.364 2.889 . 0 0 "[ . 1 . 2]" 1
213 1 56 ALA H 1 57 TYR H . . 3.270 2.750 2.616 2.947 . 0 0 "[ . 1 . 2]" 1
214 1 30 LYS HA 1 31 GLY H . . 3.140 2.842 2.145 3.554 0.414 17 0 "[ . 1 . 2]" 1
215 1 81 ALA H 1 82 ALA H . . 3.270 2.728 2.668 2.785 . 0 0 "[ . 1 . 2]" 1
216 1 82 ALA H 1 83 ILE H . . 3.020 2.698 2.681 2.716 . 0 0 "[ . 1 . 2]" 1
217 1 81 ALA HA 1 82 ALA H . . 3.480 3.504 3.470 3.546 0.066 19 0 "[ . 1 . 2]" 1
218 1 95 PRO HA 1 96 ALA H . . 3.140 2.446 2.154 3.485 0.345 9 0 "[ . 1 . 2]" 1
219 1 95 PRO HB2 1 96 ALA H . . 4.380 3.212 1.924 3.997 . 0 0 "[ . 1 . 2]" 1
220 1 95 PRO HB3 1 96 ALA H . . 4.320 3.861 3.201 4.406 0.086 11 0 "[ . 1 . 2]" 1
221 1 25 MET H 1 25 MET HB3 . . 3.330 2.937 2.139 3.462 0.132 7 0 "[ . 1 . 2]" 1
222 1 25 MET H 1 25 MET HB2 . . 3.330 2.795 2.089 3.592 0.262 16 0 "[ . 1 . 2]" 1
223 1 3 LEU HB3 1 4 GLY H . . 3.890 3.141 2.024 4.075 0.185 15 0 "[ . 1 . 2]" 1
224 1 3 LEU HB2 1 4 GLY H . . 3.890 3.218 1.953 4.552 0.662 15 2 "[ . 1 -+ 2]" 1
225 1 4 GLY H 1 5 CYS H . . 3.580 3.119 2.123 3.597 0.017 7 0 "[ . 1 . 2]" 1
226 1 6 GLN HA 1 7 LEU H . . 2.930 2.260 2.148 2.567 . 0 0 "[ . 1 . 2]" 1
227 1 7 LEU H 1 7 LEU HB2 . . 3.580 2.712 2.146 3.721 0.141 11 0 "[ . 1 . 2]" 1
228 1 6 GLN QB 1 7 LEU H . . 5.140 3.236 2.149 3.961 . 0 0 "[ . 1 . 2]" 1
229 1 7 LEU H 1 7 LEU HB3 . . 3.550 3.264 2.275 3.681 0.131 7 0 "[ . 1 . 2]" 1
230 1 72 THR H 1 75 VAL HB . . 3.700 3.563 3.290 3.722 0.022 2 0 "[ . 1 . 2]" 1
231 1 71 ALA HA 1 72 THR H . . 2.960 2.191 2.143 2.424 . 0 0 "[ . 1 . 2]" 1
232 1 25 MET HB3 1 26 GLY H . . 3.640 3.380 2.676 4.295 0.655 4 2 "[ +. - 1 . 2]" 1
233 1 25 MET HB2 1 26 GLY H . . 3.580 3.480 2.544 4.303 0.723 11 3 "[ .- *1+ . 2]" 1
234 1 25 MET HA 1 26 GLY H . . 3.300 2.324 2.185 2.404 . 0 0 "[ . 1 . 2]" 1
235 1 78 ASP H 1 78 ASP HB3 . . 3.790 3.161 2.563 3.591 . 0 0 "[ . 1 . 2]" 1
236 1 78 ASP H 1 78 ASP HB2 . . 3.670 2.398 2.153 3.606 . 0 0 "[ . 1 . 2]" 1
237 1 75 VAL HA 1 78 ASP H . . 4.480 3.848 3.507 3.971 . 0 0 "[ . 1 . 2]" 1
238 1 88 VAL H 1 89 VAL H . . 3.050 2.688 2.583 2.823 . 0 0 "[ . 1 . 2]" 1
239 1 88 VAL H 1 88 VAL HB . . 3.330 3.610 3.600 3.615 0.285 2 0 "[ . 1 . 2]" 1
240 1 74 ARG H 1 75 VAL H . . 3.390 2.816 2.744 2.892 . 0 0 "[ . 1 . 2]" 1
241 1 73 LEU H 1 74 ARG H . . 3.450 2.762 2.727 2.801 . 0 0 "[ . 1 . 2]" 1
242 1 42 GLN QG 1 43 ALA H . . 5.050 3.007 1.969 4.312 . 0 0 "[ . 1 . 2]" 1
243 1 63 TRP HD1 1 64 ALA H . . 4.880 3.698 2.479 4.913 0.033 7 0 "[ . 1 . 2]" 1
244 1 32 TRP HH2 1 50 ALA H . . 4.760 4.219 2.820 4.784 0.024 13 0 "[ . 1 . 2]" 1
245 1 15 GLN H 1 15 GLN HG3 . . 4.040 3.411 2.374 4.112 0.072 15 0 "[ . 1 . 2]" 1
246 1 15 GLN H 1 15 GLN HG2 . . 4.140 3.442 2.283 4.141 0.001 19 0 "[ . 1 . 2]" 1
247 1 80 LEU H 1 80 LEU HG . . 5.500 4.526 4.448 4.603 . 0 0 "[ . 1 . 2]" 1
248 1 22 LEU H 1 22 LEU HG . . 4.690 2.862 2.530 3.115 . 0 0 "[ . 1 . 2]" 1
249 1 85 ARG H 1 85 ARG HG2 . . 4.170 3.226 1.915 4.264 0.094 11 0 "[ . 1 . 2]" 1
250 1 85 ARG H 1 85 ARG HG3 . . 3.980 3.571 2.181 4.106 0.126 2 0 "[ . 1 . 2]" 1
251 1 8 TYR QD 1 11 ILE H . . 7.350 5.783 4.508 6.690 . 0 0 "[ . 1 . 2]" 1
252 1 11 ILE H 1 11 ILE HG12 . . 3.760 2.720 1.943 4.307 0.547 11 1 "[ . 1+ . 2]" 1
253 1 47 GLU HG2 1 48 THR H . . 4.910 4.394 3.456 4.913 0.003 1 0 "[ . 1 . 2]" 1
254 1 92 LEU H 1 92 LEU HG . . 3.640 3.521 1.888 4.175 0.535 6 1 "[ .+ 1 . 2]" 1
255 1 60 LEU H 1 60 LEU HG . . 4.260 2.896 2.711 3.108 . 0 0 "[ . 1 . 2]" 1
256 1 24 MET H 1 24 MET HG3 . . 3.890 3.781 3.111 3.904 0.014 12 0 "[ . 1 . 2]" 1
257 1 24 MET H 1 24 MET HG2 . . 3.700 3.044 2.348 4.138 0.438 14 0 "[ . 1 . 2]" 1
258 1 67 GLU H 1 67 GLU HG2 . . 4.010 3.340 2.185 4.352 0.342 17 0 "[ . 1 . 2]" 1
259 1 67 GLU H 1 67 GLU HG3 . . 3.830 3.345 2.423 4.348 0.518 17 1 "[ . 1 . + 2]" 1
260 1 66 GLN QG 1 67 GLU H . . 6.230 4.248 3.949 4.683 . 0 0 "[ . 1 . 2]" 1
261 1 90 GLN H 1 90 GLN HE21 . . 5.250 4.736 4.226 5.253 0.003 13 0 "[ . 1 . 2]" 1
262 1 8 TYR QD 1 9 LEU H . . 7.290 4.184 1.962 4.828 . 0 0 "[ . 1 . 2]" 1
263 1 9 LEU H 1 9 LEU HG . . 4.350 3.858 1.936 4.505 0.155 7 0 "[ . 1 . 2]" 1
264 1 83 ILE HG12 1 84 GLY H . . 4.380 4.390 4.382 4.400 0.020 2 0 "[ . 1 . 2]" 1
265 1 54 MET H 1 54 MET HG3 . . 4.880 3.319 2.027 4.521 . 0 0 "[ . 1 . 2]" 1
266 1 54 MET H 1 54 MET HG2 . . 3.890 3.145 1.874 4.264 0.374 18 0 "[ . 1 . 2]" 1
267 1 83 ILE H 1 83 ILE HG13 . . 3.640 3.646 3.615 3.663 0.023 12 0 "[ . 1 . 2]" 1
268 1 83 ILE H 1 83 ILE HG12 . . 4.290 2.249 2.233 2.260 . 0 0 "[ . 1 . 2]" 1
269 1 15 GLN H 1 15 GLN HE21 . . 5.190 4.628 2.771 5.955 0.765 20 2 "[ . 1 -. +]" 1
270 1 61 ARG H 1 61 ARG HG3 . . 4.600 4.291 2.435 4.518 . 0 0 "[ . 1 . 2]" 1
271 1 61 ARG H 1 61 ARG HD3 . . 5.500 4.911 4.109 5.423 . 0 0 "[ . 1 . 2]" 1
272 1 61 ARG H 1 61 ARG HD2 . . 5.500 4.720 4.206 5.639 0.139 19 0 "[ . 1 . 2]" 1
273 1 73 LEU H 1 73 LEU HG . . 2.960 2.308 1.965 2.853 . 0 0 "[ . 1 . 2]" 1
274 1 42 GLN H 1 42 GLN QG . . 5.110 3.261 1.950 4.161 . 0 0 "[ . 1 . 2]" 1
275 1 70 ARG H 1 70 ARG HG3 . . 4.170 3.269 2.142 4.188 0.018 4 0 "[ . 1 . 2]" 1
276 1 70 ARG H 1 70 ARG HD3 . . 5.340 4.314 2.271 5.167 . 0 0 "[ . 1 . 2]" 1
277 1 70 ARG H 1 70 ARG HG2 . . 3.980 2.847 1.982 4.100 0.120 4 0 "[ . 1 . 2]" 1
278 1 35 LEU H 1 35 LEU HG . . 5.500 3.522 2.302 4.571 . 0 0 "[ . 1 . 2]" 1
279 1 63 TRP H 1 63 TRP HD1 . . 4.940 5.037 4.651 5.354 0.414 13 0 "[ . 1 . 2]" 1
280 1 76 LEU H 1 76 LEU HG . . 4.510 4.531 4.507 4.570 0.060 2 0 "[ . 1 . 2]" 1
281 1 30 LYS H 1 30 LYS HD2 . . 4.420 3.557 1.929 4.587 0.167 13 0 "[ . 1 . 2]" 1
282 1 49 MET H 1 49 MET HG3 . . 4.660 3.002 1.935 3.561 . 0 0 "[ . 1 . 2]" 1
283 1 49 MET H 1 49 MET HG2 . . 3.980 2.159 1.935 3.024 . 0 0 "[ . 1 . 2]" 1
284 1 62 ASN H 1 62 ASN HD22 . . 5.500 4.474 3.124 5.365 . 0 0 "[ . 1 . 2]" 1
285 1 17 GLU H 1 17 GLU HG3 . . 3.860 3.563 2.180 3.962 0.102 7 0 "[ . 1 . 2]" 1
286 1 17 GLU H 1 17 GLU HG2 . . 3.700 3.286 2.011 3.748 0.048 12 0 "[ . 1 . 2]" 1
287 1 44 GLU QG 1 45 ALA H . . 6.380 3.566 1.926 4.604 . 0 0 "[ . 1 . 2]" 1
288 1 42 GLN QG 1 45 ALA H . . 6.380 3.896 1.897 5.040 . 0 0 "[ . 1 . 2]" 1
289 1 59 LEU H 1 59 LEU HG . . 5.220 4.361 4.211 4.546 . 0 0 "[ . 1 . 2]" 1
290 1 62 ASN HA 1 62 ASN HD22 . . 5.500 4.178 3.459 5.085 . 0 0 "[ . 1 . 2]" 1
291 1 47 GLU H 1 47 GLU HG3 . . 4.540 4.180 2.327 4.539 . 0 0 "[ . 1 . 2]" 1
292 1 47 GLU H 1 47 GLU HG2 . . 5.000 4.159 2.850 4.622 . 0 0 "[ . 1 . 2]" 1
293 1 55 PRO HD3 1 56 ALA H . . 4.540 3.848 3.835 3.871 . 0 0 "[ . 1 . 2]" 1
294 1 55 PRO HD2 1 56 ALA H . . 4.570 2.686 2.647 2.748 . 0 0 "[ . 1 . 2]" 1
295 1 30 LYS HD2 1 31 GLY H . . 4.380 4.350 3.952 4.594 0.214 7 0 "[ . 1 . 2]" 1
296 1 25 MET H 1 25 MET HG3 . . 4.170 3.581 2.926 4.449 0.279 8 0 "[ . 1 . 2]" 1
297 1 25 MET H 1 25 MET HG2 . . 3.920 3.056 2.028 4.062 0.142 8 0 "[ . 1 . 2]" 1
298 1 7 LEU H 1 7 LEU HG . . 4.420 4.072 2.227 4.675 0.255 9 0 "[ . 1 . 2]" 1
299 1 89 VAL H 1 89 VAL MG2 . . 4.010 2.200 1.909 2.378 . 0 0 "[ . 1 . 2]" 1
300 1 60 LEU MD2 1 64 ALA H . . 5.990 4.294 3.431 4.553 . 0 0 "[ . 1 . 2]" 1
301 1 80 LEU H 1 80 LEU MD2 . . 5.560 4.280 4.245 4.318 . 0 0 "[ . 1 . 2]" 1
302 1 80 LEU H 1 80 LEU MD1 . . 5.220 4.024 3.819 4.126 . 0 0 "[ . 1 . 2]" 1
303 1 75 VAL H 1 75 VAL MG1 . . 4.230 2.358 2.212 2.523 . 0 0 "[ . 1 . 2]" 1
304 1 43 ALA MB 1 44 GLU H . . 4.500 2.603 2.313 2.863 . 0 0 "[ . 1 . 2]" 1
305 1 50 ALA MB 1 51 CYS H . . 5.430 2.647 2.550 2.826 . 0 0 "[ . 1 . 2]" 1
306 1 36 ALA MB 1 37 GLY H . . 4.630 2.441 2.229 2.737 . 0 0 "[ . 1 . 2]" 1
307 1 11 ILE H 1 11 ILE MG . . 4.380 2.466 1.908 3.765 . 0 0 "[ . 1 . 2]" 1
308 1 91 VAL H 1 91 VAL MG1 . . 4.130 3.460 2.337 3.774 . 0 0 "[ . 1 . 2]" 1
309 1 91 VAL H 1 91 VAL MG2 . . 4.750 2.459 1.835 3.566 . 0 0 "[ . 1 . 2]" 1
310 1 91 VAL MG1 1 92 LEU H . . 5.090 3.220 2.140 4.038 . 0 0 "[ . 1 . 2]" 1
311 1 91 VAL MG2 1 92 LEU H . . 5.090 3.675 1.911 4.227 . 0 0 "[ . 1 . 2]" 1
312 1 22 LEU HB3 1 23 LEU H . . 5.000 3.049 2.922 3.339 . 0 0 "[ . 1 . 2]" 1
313 1 60 LEU H 1 60 LEU MD2 . . 5.310 3.912 3.672 4.096 . 0 0 "[ . 1 . 2]" 1
314 1 59 LEU MD1 1 60 LEU H . . 4.160 4.079 3.886 4.251 0.091 10 0 "[ . 1 . 2]" 1
315 1 67 GLU H 1 71 ALA MB . . 5.990 4.995 3.999 5.994 0.004 12 0 "[ . 1 . 2]" 1
316 1 89 VAL MG2 1 90 GLN H . . 5.400 3.881 3.739 3.960 . 0 0 "[ . 1 . 2]" 1
317 1 89 VAL MG1 1 90 GLN H . . 4.970 3.507 3.145 3.723 . 0 0 "[ . 1 . 2]" 1
318 1 39 LEU H 1 39 LEU MD1 . . 5.770 3.502 3.223 3.783 . 0 0 "[ . 1 . 2]" 1
319 1 65 ALA MB 1 66 GLN H . . 5.310 2.591 2.159 2.778 . 0 0 "[ . 1 . 2]" 1
320 1 83 ILE MD 1 84 GLY H . . 5.650 4.724 4.700 4.750 . 0 0 "[ . 1 . 2]" 1
321 1 54 MET H 1 54 MET ME . . 6.210 4.225 2.454 5.431 . 0 0 "[ . 1 . 2]" 1
322 1 80 LEU MD2 1 81 ALA H . . 6.240 4.515 4.292 4.723 . 0 0 "[ . 1 . 2]" 1
323 1 82 ALA MB 1 83 ILE H . . 4.160 2.881 2.771 2.965 . 0 0 "[ . 1 . 2]" 1
324 1 83 ILE H 1 83 ILE MD . . 4.440 3.446 3.369 3.506 . 0 0 "[ . 1 . 2]" 1
325 1 73 LEU H 1 73 LEU MD2 . . 5.190 3.239 2.547 4.071 . 0 0 "[ . 1 . 2]" 1
326 1 42 GLN H 1 45 ALA MB . . 5.460 2.335 1.867 3.013 . 0 0 "[ . 1 . 2]" 1
327 1 19 VAL H 1 19 VAL MG1 . . 4.750 3.764 3.749 3.769 . 0 0 "[ . 1 . 2]" 1
328 1 35 LEU H 1 35 LEU MD1 . . 3.420 3.405 3.156 3.476 0.056 8 0 "[ . 1 . 2]" 1
329 1 35 LEU H 1 35 LEU MD2 . . 5.090 4.098 3.690 4.452 . 0 0 "[ . 1 . 2]" 1
330 1 29 ALA MB 1 30 LYS H . . 4.940 2.890 2.276 3.298 . 0 0 "[ . 1 . 2]" 1
331 1 49 MET H 1 49 MET ME . . 5.590 4.226 3.423 4.736 . 0 0 "[ . 1 . 2]" 1
332 1 64 ALA MB 1 65 ALA H . . 4.160 2.733 2.362 2.901 . 0 0 "[ . 1 . 2]" 1
333 1 45 ALA MB 1 46 VAL H . . 6.150 2.250 2.123 2.547 . 0 0 "[ . 1 . 2]" 1
334 1 45 ALA H 1 46 VAL MG1 . . 6.050 3.692 3.503 4.279 . 0 0 "[ . 1 . 2]" 1
335 1 59 LEU H 1 59 LEU MD1 . . 5.400 4.134 3.965 4.241 . 0 0 "[ . 1 . 2]" 1
336 1 58 THR MG 1 62 ASN HD22 . . 4.220 3.104 2.155 4.233 0.013 7 0 "[ . 1 . 2]" 1
337 1 46 VAL MG2 1 47 GLU H . . 5.930 3.678 3.449 4.141 . 0 0 "[ . 1 . 2]" 1
338 1 46 VAL MG1 1 47 GLU H . . 6.520 2.096 1.920 2.230 . 0 0 "[ . 1 . 2]" 1
339 1 81 ALA MB 1 82 ALA H . . 4.530 2.738 2.539 2.839 . 0 0 "[ . 1 . 2]" 1
340 1 25 MET H 1 25 MET ME . . 5.770 4.686 3.420 5.509 . 0 0 "[ . 1 . 2]" 1
341 1 7 LEU H 1 7 LEU MD1 . . 5.740 3.766 2.071 4.631 . 0 0 "[ . 1 . 2]" 1
342 1 72 THR H 1 72 THR MG . . 4.500 2.992 2.616 3.352 . 0 0 "[ . 1 . 2]" 1
343 1 71 ALA MB 1 72 THR H . . 5.370 3.418 2.915 3.692 . 0 0 "[ . 1 . 2]" 1
344 1 72 THR H 1 75 VAL MG1 . . 4.880 3.335 2.806 4.197 . 0 0 "[ . 1 . 2]" 1
345 1 88 VAL H 1 88 VAL MG2 . . 4.130 2.030 1.885 2.386 . 0 0 "[ . 1 . 2]" 1
346 1 23 LEU MD1 1 35 LEU MD1 . . 6.020 5.725 4.872 6.032 0.012 13 0 "[ . 1 . 2]" 1
347 1 80 LEU MD2 1 89 VAL MG2 . . 5.740 4.194 2.109 5.365 . 0 0 "[ . 1 . 2]" 1
348 1 11 ILE MD 1 15 GLN QB . . 5.230 3.512 1.875 5.230 . 0 0 "[ . 1 . 2]" 1
349 1 64 ALA HA 1 71 ALA MB . . 3.950 3.405 2.561 3.997 0.047 18 0 "[ . 1 . 2]" 1
350 1 67 GLU HB2 1 71 ALA MB . . 4.260 3.493 2.851 4.287 0.027 17 0 "[ . 1 . 2]" 1
351 1 23 LEU MD2 1 56 ALA MB . . 6.360 4.286 2.694 5.956 . 0 0 "[ . 1 . 2]" 1
352 1 23 LEU MD1 1 56 ALA MB . . 5.800 2.385 1.809 3.960 . 0 0 "[ . 1 . 2]" 1
353 1 32 TRP HH2 1 50 ALA MB . . 4.070 2.800 1.907 4.074 0.004 9 0 "[ . 1 . 2]" 1
354 1 80 LEU MD1 1 89 VAL MG2 . . 5.830 5.493 4.028 5.926 0.096 19 0 "[ . 1 . 2]" 1
355 1 89 VAL MG2 1 93 SER QB . . 5.110 4.895 4.100 5.131 0.021 5 0 "[ . 1 . 2]" 1
356 1 22 LEU MD1 1 91 VAL MG1 . . 4.720 2.483 1.891 4.286 . 0 0 "[ . 1 . 2]" 1
357 1 24 MET ME 1 55 PRO HD2 . . 3.760 3.113 2.211 3.766 0.006 6 0 "[ . 1 . 2]" 1
358 1 24 MET ME 1 32 TRP HE1 . . 4.190 4.015 3.432 4.230 0.040 18 0 "[ . 1 . 2]" 1
359 1 79 ALA HA 1 82 ALA MB . . 3.760 3.183 2.887 3.502 . 0 0 "[ . 1 . 2]" 1
360 1 41 TYR QD 1 45 ALA MB . . 6.880 2.602 1.905 4.520 . 0 0 "[ . 1 . 2]" 1
361 1 23 LEU MD2 1 88 VAL MG1 . . 5.150 3.582 2.329 4.885 . 0 0 "[ . 1 . 2]" 1
362 1 62 ASN HA 1 65 ALA MB . . 3.980 2.245 1.972 2.660 . 0 0 "[ . 1 . 2]" 1
363 1 32 TRP HH2 1 46 VAL MG2 . . 4.130 2.871 1.997 4.079 . 0 0 "[ . 1 . 2]" 1
364 1 35 LEU MD2 1 79 ALA MB . . 5.060 4.089 2.169 5.071 0.011 6 0 "[ . 1 . 2]" 1
365 1 35 LEU HA 1 35 LEU MD2 . . 3.670 2.940 2.113 3.799 0.129 16 0 "[ . 1 . 2]" 1
366 1 35 LEU MD2 1 39 LEU MD2 . . 6.170 4.229 3.182 4.930 . 0 0 "[ . 1 . 2]" 1
367 1 19 VAL MG1 1 92 LEU QD . . 4.690 3.501 2.284 5.491 0.801 11 1 "[ . 1+ . 2]" 1
368 1 73 LEU MD1 1 92 LEU QD . . 4.440 3.573 2.003 4.359 . 0 0 "[ . 1 . 2]" 1
369 1 42 GLN QB 1 45 ALA MB . . 5.380 2.957 2.013 4.118 . 0 0 "[ . 1 . 2]" 1
370 1 36 ALA MB 1 46 VAL MG2 . . 5.030 2.376 1.874 3.358 . 0 0 "[ . 1 . 2]" 1
371 1 33 GLN HA 1 36 ALA MB . . 4.070 2.669 2.295 3.142 . 0 0 "[ . 1 . 2]" 1
372 1 60 LEU MD2 1 76 LEU MD2 . . 5.550 3.219 1.945 4.375 . 0 0 "[ . 1 . 2]" 1
373 1 60 LEU HA 1 60 LEU MD2 . . 3.950 2.134 1.953 2.419 . 0 0 "[ . 1 . 2]" 1
374 1 9 LEU MD2 1 60 LEU MD2 . . 5.460 4.884 2.977 5.488 0.028 8 0 "[ . 1 . 2]" 1
375 1 39 LEU MD1 1 80 LEU MD1 . . 5.990 5.127 4.296 6.108 0.118 6 0 "[ . 1 . 2]" 1
376 1 85 ARG HB2 1 88 VAL MG2 . . 4.100 2.714 1.856 3.351 . 0 0 "[ . 1 . 2]" 1
377 1 22 LEU MD2 1 88 VAL MG2 . . 4.900 4.822 4.317 4.936 0.036 13 0 "[ . 1 . 2]" 1
378 1 80 LEU MD1 1 88 VAL MG2 . . 5.770 3.969 3.431 4.808 . 0 0 "[ . 1 . 2]" 1
379 1 41 TYR QD 1 49 MET ME . . 6.510 3.159 2.046 4.376 . 0 0 "[ . 1 . 2]" 1
380 1 36 ALA HA 1 49 MET ME . . 4.070 3.909 3.171 4.135 0.065 19 0 "[ . 1 . 2]" 1
381 1 46 VAL HA 1 49 MET ME . . 3.670 2.275 1.938 3.429 . 0 0 "[ . 1 . 2]" 1
382 1 43 ALA HA 1 46 VAL MG1 . . 4.100 2.021 1.875 2.504 . 0 0 "[ . 1 . 2]" 1
383 1 35 LEU MD1 1 59 LEU MD2 . . 5.620 5.404 3.951 5.656 0.036 8 0 "[ . 1 . 2]" 1
384 1 8 TYR QD 1 73 LEU MD2 . . 6.820 4.859 3.166 6.828 0.008 15 0 "[ . 1 . 2]" 1
385 1 76 LEU MD1 1 80 LEU MD1 . . 5.930 4.590 3.911 5.398 . 0 0 "[ . 1 . 2]" 1
386 1 85 ARG HB3 1 88 VAL MG2 . . 3.700 2.141 1.897 3.718 0.018 4 0 "[ . 1 . 2]" 1
387 1 9 LEU MD2 1 64 ALA MB . . 4.440 3.793 2.008 4.463 0.023 13 0 "[ . 1 . 2]" 1
388 1 76 LEU HA 1 76 LEU MD1 . . 4.070 2.335 2.025 2.548 . 0 0 "[ . 1 . 2]" 1
389 1 35 LEU MD2 1 76 LEU MD1 . . 5.830 4.108 2.966 5.735 . 0 0 "[ . 1 . 2]" 1
390 1 39 LEU HA 1 39 LEU MD2 . . 4.010 2.302 1.970 2.576 . 0 0 "[ . 1 . 2]" 1
391 1 39 LEU MD2 1 79 ALA MB . . 5.770 3.072 1.854 4.976 . 0 0 "[ . 1 . 2]" 1
392 1 76 LEU MD2 1 92 LEU QD . . 6.420 4.303 2.928 6.011 . 0 0 "[ . 1 . 2]" 1
393 1 59 LEU HA 1 59 LEU MD1 . . 3.640 2.139 1.957 2.399 . 0 0 "[ . 1 . 2]" 1
394 1 36 ALA MB 1 59 LEU MD1 . . 5.430 5.286 3.958 5.477 0.047 15 0 "[ . 1 . 2]" 1
395 1 39 LEU MD1 1 59 LEU MD1 . . 6.140 3.197 1.841 4.481 . 0 0 "[ . 1 . 2]" 1
396 1 49 MET ME 1 59 LEU MD1 . . 4.960 3.262 1.855 4.709 . 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 108
_Distance_constraint_stats_list.Viol_count 2160
_Distance_constraint_stats_list.Viol_total 17439.637
_Distance_constraint_stats_list.Viol_max 0.719
_Distance_constraint_stats_list.Viol_rms 0.1645
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4037
_Distance_constraint_stats_list.Viol_average_violations_only 0.4037
_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 PRO 26.897 0.714 4 16 "[ **+.********** ***]"
1 13 GLN 16.347 0.696 7 4 "[ . + 1 * . *- 2]"
1 14 GLN 30.382 0.702 19 16 "[****-* * 1*** ****+*]"
1 15 GLN 23.618 0.706 18 12 "[****. *-1* * ** + *]"
1 16 GLN 57.076 0.714 4 20 [***+****************]
1 17 GLU 34.343 0.696 7 7 "[ -*+* 1 * . ** 2]"
1 18 GLU 56.208 0.704 19 18 "[****-* ****** ****+*]"
1 19 VAL 49.956 0.712 18 19 "[********-********+ *]"
1 20 GLN 30.179 0.705 13 18 "[******** * *+***-***]"
1 21 ARG 17.996 0.608 6 4 "[ -+ * 1 . * 2]"
1 22 LEU 25.826 0.704 19 13 "[*- ** ****** . * +*]"
1 23 LEU 26.338 0.712 18 18 "[* ********-******+ *]"
1 32 TRP 33.074 0.718 8 20 [*******+*********-**]
1 33 GLN 22.735 0.700 5 12 "[* *+ ***1****. * -]"
1 34 GLU 18.329 0.575 7 6 "[ .*+ * *.- * 2]"
1 36 ALA 33.074 0.718 8 20 [*******+*********-**]
1 37 GLY 22.735 0.700 5 12 "[* *+ ***1****. * -]"
1 38 HIS 18.329 0.575 7 6 "[ .*+ * *.- * 2]"
1 42 GLN 21.829 0.705 5 12 "[* + -******.** *]"
1 43 ALA 28.710 0.661 16 17 "[****.***** ***+****]"
1 44 GLU 26.615 0.558 16 16 "[******* -* ***.+** *]"
1 45 ALA 28.974 0.709 15 20 [******-*******+*****]
1 46 VAL 44.800 0.705 5 14 "[* + -*******.*** *]"
1 47 GLU 57.609 0.712 3 19 [**+-.***************]
1 48 THR 26.615 0.558 16 16 "[******* -* ***.+** *]"
1 49 MET 28.974 0.709 15 20 [******-*******+*****]
1 50 ALA 22.971 0.562 18 6 "[ . - *** .* + 2]"
1 51 CYS 28.899 0.712 3 17 "[**+-.******* **** **]"
1 55 PRO 12.350 0.361 3 0 "[ . 1 . 2]"
1 56 ALA 34.457 0.711 8 20 [****-**+************]
1 57 TYR 18.250 0.620 12 5 "[ * . ** 1 +- . 2]"
1 58 THR 26.484 0.719 8 11 "[ - * +*** ** ***]"
1 59 LEU 32.162 0.690 16 7 "[- ** * * .+ *]"
1 60 LEU 57.657 0.711 8 20 [****-**+************]
1 61 ARG 36.918 0.620 12 6 "[ * . ** 1 +- . * 2]"
1 62 ASN 42.516 0.719 8 11 "[ - * +*** ** ***]"
1 63 TRP 48.785 0.712 3 18 "[* +******** -*******]"
1 64 ALA 23.200 0.703 13 13 "[******* *1 *+-. * *]"
1 65 ALA 18.668 0.584 17 4 "[ * . *- 1 . + 2]"
1 66 GLN 16.032 0.621 5 3 "[ + 1 * *2]"
1 67 GLU 28.973 0.712 3 17 "[ +******** -*******]"
1 73 LEU 26.659 0.710 2 14 "[-+*** **** * *** *]"
1 74 ARG 28.816 0.717 3 18 "[**+** ***1*-********]"
1 75 VAL 29.729 0.602 13 17 "[******** 1**+ *-****]"
1 76 LEU 17.044 0.514 14 3 "[ .- *1 +. 2]"
1 77 GLU 42.724 0.710 2 14 "[-+*** **** * *** *]"
1 78 ASP 59.947 0.717 3 20 [**+********-********]
1 79 ALA 29.729 0.602 13 17 "[******** 1**+ *-****]"
1 80 LEU 17.044 0.514 14 3 "[ .- *1 +. 2]"
1 81 ALA 16.065 0.487 2 0 "[ . 1 . 2]"
1 82 ALA 31.131 0.713 19 20 [*-****************+*]
1 86 GLU 18.247 0.714 20 6 "[ .*- 1 * .* *+]"
1 87 ASP 29.719 0.708 13 19 "[** *-*******+*******]"
1 88 VAL 28.460 0.716 20 17 "[************ -*** +]"
1 89 VAL 18.169 0.637 12 4 "[ ** 1 +* . 2]"
1 90 GLN 18.247 0.714 20 6 "[ .*- 1 * .* *+]"
1 91 VAL 29.719 0.708 13 19 "[** *-*******+*******]"
1 92 LEU 28.460 0.716 20 17 "[************ -*** +]"
1 93 SER 18.169 0.637 12 4 "[ ** 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 78 ASP O 1 82 ALA H . . 1.700 2.139 2.061 2.204 0.504 2 1 "[ + . 1 . 2]" 2
2 1 78 ASP C 1 82 ALA H . . 2.600 3.298 3.219 3.313 0.713 19 20 [**********-*******+*] 2
3 1 78 ASP O 1 82 ALA N . . 2.600 3.019 2.935 3.093 0.493 2 0 "[ . 1 . 2]" 2
4 1 77 GLU O 1 81 ALA H . . 1.700 1.975 1.861 2.187 0.487 2 0 "[ . 1 . 2]" 2
5 1 77 GLU C 1 81 ALA H . . 2.600 2.903 2.854 3.034 0.434 2 0 "[ . 1 . 2]" 2
6 1 77 GLU O 1 81 ALA N . . 2.600 2.825 2.743 3.053 0.453 2 0 "[ . 1 . 2]" 2
7 1 76 LEU O 1 80 LEU H . . 1.700 1.941 1.818 2.195 0.495 9 0 "[ . 1 . 2]" 2
8 1 76 LEU C 1 80 LEU H . . 2.600 3.000 2.918 3.114 0.514 14 3 "[ .- *1 +. 2]" 2
9 1 76 LEU O 1 80 LEU N . . 2.600 2.812 2.738 3.047 0.447 9 0 "[ . 1 . 2]" 2
10 1 75 VAL O 1 79 ALA H . . 1.700 2.189 1.970 2.214 0.514 15 15 "[******* 1*** + *-**]" 2
11 1 75 VAL C 1 79 ALA H . . 2.600 3.110 2.920 3.202 0.602 13 10 "[ **. *- 1 *+ *** *2]" 2
12 1 75 VAL O 1 79 ALA N . . 2.600 3.088 2.861 3.142 0.542 4 11 "[* +. * 1*** *-* **]" 2
13 1 74 ARG O 1 78 ASP H . . 1.700 2.089 1.841 2.201 0.501 12 1 "[ . 1 + . 2]" 2
14 1 74 ARG C 1 78 ASP H . . 2.600 3.221 3.037 3.317 0.717 3 18 "[-*+** ***1**********]" 2
15 1 74 ARG O 1 78 ASP N . . 2.600 3.031 2.803 3.142 0.542 7 4 "[ . + 1 * *. -2]" 2
16 1 73 LEU O 1 77 GLU H . . 1.700 2.044 1.794 2.212 0.512 15 2 "[ - . 1 + 2]" 2
17 1 73 LEU C 1 77 GLU H . . 2.600 3.206 2.987 3.310 0.710 2 14 "[*+*** -*** * *** *]" 2
18 1 73 LEU O 1 77 GLU N . . 2.600 2.983 2.691 3.126 0.526 2 7 "[-+* * * * * 2]" 2
19 1 47 GLU O 1 51 CYS H . . 1.700 2.144 1.871 2.210 0.510 15 5 "[ -. *1 +* *2]" 2
20 1 47 GLU C 1 51 CYS H . . 2.600 3.189 2.966 3.312 0.712 3 17 "[**+*.**-**** **** **]" 2
21 1 47 GLU O 1 51 CYS N . . 2.600 3.012 2.816 3.112 0.512 4 1 "[ +. 1 . 2]" 2
22 1 46 VAL O 1 50 ALA H . . 1.700 2.077 1.886 2.204 0.504 18 3 "[ . - * . + 2]" 2
23 1 46 VAL C 1 50 ALA H . . 2.600 3.040 2.909 3.162 0.562 18 4 "[ . 1*- .* + 2]" 2
24 1 46 VAL O 1 50 ALA N . . 2.600 2.932 2.746 3.050 0.450 12 0 "[ . 1 . 2]" 2
25 1 45 ALA O 1 49 MET H . . 1.700 2.064 1.874 2.203 0.503 12 1 "[ . 1 + . 2]" 2
26 1 45 ALA C 1 49 MET H . . 2.600 3.266 3.102 3.309 0.709 15 20 [******-*******+*****] 2
27 1 45 ALA O 1 49 MET N . . 2.600 3.019 2.840 3.169 0.569 12 2 "[ -. 1 + . 2]" 2
28 1 44 GLU O 1 48 THR H . . 1.700 2.139 1.831 2.205 0.505 12 5 "[ *. -* + .* 2]" 2
29 1 44 GLU C 1 48 THR H . . 2.600 3.096 2.882 3.158 0.558 16 15 "[******- ** **.+** *]" 2
30 1 44 GLU O 1 48 THR N . . 2.600 2.996 2.749 3.101 0.501 3 1 "[ + . 1 . 2]" 2
31 1 43 ALA O 1 47 GLU H . . 1.700 2.154 1.903 2.209 0.509 15 9 "[***-. *1 +*** 2]" 2
32 1 43 ALA C 1 47 GLU H . . 2.600 3.166 2.975 3.261 0.661 16 17 "[***-.***** ***+****]" 2
33 1 43 ALA O 1 47 GLU N . . 2.600 3.016 2.767 3.117 0.517 9 3 "[* . +1 .- 2]" 2
34 1 42 GLN O 1 46 VAL H . . 1.700 1.946 1.785 2.155 0.455 8 0 "[ . 1 . 2]" 2
35 1 42 GLN C 1 46 VAL H . . 2.600 3.141 2.887 3.305 0.705 5 12 "[* + *******.-* *]" 2
36 1 42 GLN O 1 46 VAL N . . 2.600 2.904 2.741 3.115 0.515 8 1 "[ . + 1 . 2]" 2
37 1 19 VAL O 1 23 LEU H . . 1.700 2.020 1.793 2.188 0.488 20 0 "[ . 1 . 2]" 2
38 1 19 VAL C 1 23 LEU H . . 2.600 3.217 3.012 3.312 0.712 18 18 "[* ********-******+ *]" 2
39 1 19 VAL O 1 23 LEU N . . 2.600 2.980 2.755 3.163 0.563 20 2 "[ . 1 -. +]" 2
40 1 18 GLU O 1 22 LEU H . . 1.700 2.084 1.851 2.204 0.504 11 3 "[ - . *1+ . 2]" 2
41 1 18 GLU C 1 22 LEU H . . 2.600 3.142 2.919 3.304 0.704 19 13 "[** ** ****** . * +-]" 2
42 1 18 GLU O 1 22 LEU N . . 2.600 2.965 2.747 3.146 0.546 9 5 "[ - *+1* . * 2]" 2
43 1 17 GLU O 1 21 ARG H . . 1.700 1.930 1.796 2.165 0.465 5 0 "[ . 1 . 2]" 2
44 1 17 GLU C 1 21 ARG H . . 2.600 3.032 2.889 3.208 0.608 6 4 "[ -+ * 1 . * 2]" 2
45 1 17 GLU O 1 21 ARG N . . 2.600 2.838 2.736 3.043 0.443 6 0 "[ . 1 . 2]" 2
46 1 16 GLN O 1 20 GLN H . . 1.700 2.133 1.827 2.203 0.503 4 4 "[ +* 1 * - 2]" 2
47 1 16 GLN C 1 20 GLN H . . 2.600 3.207 2.957 3.305 0.705 13 17 "[*** **** * *+*****-*]" 2
48 1 16 GLN O 1 20 GLN N . . 2.600 3.069 2.759 3.164 0.564 3 10 "[*-+ ** * ** ** 2]" 2
49 1 15 GLN O 1 19 VAL H . . 1.700 1.991 1.796 2.208 0.508 9 1 "[ . +1 . 2]" 2
50 1 15 GLN C 1 19 VAL H . . 2.600 3.144 2.951 3.306 0.706 18 12 "[****. *-1* * ** + *]" 2
51 1 15 GLN O 1 19 VAL N . . 2.600 2.946 2.767 3.111 0.511 1 1 "[+ . 1 . 2]" 2
52 1 14 GLN O 1 18 GLU H . . 1.700 2.161 1.928 2.204 0.504 4 5 "[ - +. 1* * *]" 2
53 1 14 GLN C 1 18 GLU H . . 2.600 3.191 3.046 3.302 0.702 19 16 "[****-* * 1*** ****+*]" 2
54 1 14 GLN O 1 18 GLU N . . 2.600 3.066 2.847 3.172 0.572 19 11 "[ ***.* * 1*- ** +*]" 2
55 1 13 GLN O 1 17 GLU H . . 1.700 1.867 1.784 2.069 0.369 7 0 "[ . 1 . 2]" 2
56 1 13 GLN C 1 17 GLU H . . 2.600 3.033 2.921 3.296 0.696 7 4 "[ . + 1 * . *- 2]" 2
57 1 13 GLN O 1 17 GLU N . . 2.600 2.818 2.728 3.033 0.433 13 0 "[ . 1 . 2]" 2
58 1 12 PRO O 1 16 GLN H . . 1.700 2.046 1.841 2.205 0.505 6 2 "[ -.+ 1 . 2]" 2
59 1 12 PRO C 1 16 GLN H . . 2.600 3.199 3.024 3.314 0.714 4 16 "[ **+.****-***** ***]" 2
60 1 12 PRO O 1 16 GLN N . . 2.600 2.999 2.788 3.171 0.571 4 6 "[ * +.-* 1 ** 2]" 2
61 1 86 GLU O 1 90 GLN H . . 1.700 1.926 1.800 2.186 0.486 19 0 "[ . 1 . 2]" 2
62 1 86 GLU C 1 90 GLN H . . 2.600 3.088 2.952 3.314 0.714 20 6 "[ .*- 1 * .* *+]" 2
63 1 86 GLU O 1 90 GLN N . . 2.600 2.799 2.730 3.099 0.499 19 0 "[ . 1 . 2]" 2
64 1 87 ASP O 1 91 VAL H . . 1.700 2.108 1.898 2.198 0.498 4 0 "[ . 1 . 2]" 2
65 1 87 ASP C 1 91 VAL H . . 2.600 3.252 3.082 3.308 0.708 13 19 "[** *********+******-]" 2
66 1 87 ASP O 1 91 VAL N . . 2.600 3.025 2.779 3.136 0.536 4 5 "[ * +- 1 * * 2]" 2
67 1 88 VAL O 1 92 LEU H . . 1.700 2.108 1.860 2.207 0.507 6 6 "[ * *+ 1 -** 2]" 2
68 1 88 VAL C 1 92 LEU H . . 2.600 3.193 2.997 3.316 0.716 20 17 "[**-********* **** +]" 2
69 1 88 VAL O 1 92 LEU N . . 2.600 3.022 2.824 3.140 0.540 16 5 "[ .* *1 * .+- 2]" 2
70 1 89 VAL O 1 93 SER H . . 1.700 2.034 1.831 2.218 0.518 13 3 "[ .* 1 -+ . 2]" 2
71 1 89 VAL C 1 93 SER H . . 2.600 2.970 2.743 3.237 0.637 12 3 "[ - 1 +* . 2]" 2
72 1 89 VAL O 1 93 SER N . . 2.600 2.805 2.663 3.011 0.411 6 0 "[ . 1 . 2]" 2
73 1 34 GLU O 1 38 HIS H . . 1.700 1.927 1.797 2.084 0.384 10 0 "[ . 1 . 2]" 2
74 1 34 GLU C 1 38 HIS H . . 2.600 3.026 2.907 3.175 0.575 7 6 "[ .*+ * *.- * 2]" 2
75 1 34 GLU O 1 38 HIS N . . 2.600 2.864 2.735 3.051 0.451 10 0 "[ . 1 . 2]" 2
76 1 33 GLN O 1 37 GLY H . . 1.700 1.974 1.793 2.171 0.471 13 0 "[ . 1 . 2]" 2
77 1 33 GLN C 1 37 GLY H . . 2.600 3.132 2.911 3.300 0.700 5 12 "[* *+ ***1****. * -]" 2
78 1 33 GLN O 1 37 GLY N . . 2.600 2.931 2.740 3.135 0.535 13 3 "[ . * 1 -+ . 2]" 2
79 1 32 TRP O 1 36 ALA H . . 1.700 2.145 2.082 2.202 0.502 13 3 "[ .* 1 + . - 2]" 2
80 1 32 TRP C 1 36 ALA H . . 2.600 3.302 3.279 3.318 0.718 8 20 [*******+**-*********] 2
81 1 32 TRP O 1 36 ALA N . . 2.600 3.106 3.034 3.171 0.571 18 12 "[** -** * ** **.* + 2]" 2
82 1 55 PRO O 1 59 LEU H . . 1.700 1.865 1.778 1.968 0.268 17 0 "[ . 1 . 2]" 2
83 1 55 PRO C 1 59 LEU H . . 2.600 2.918 2.777 2.961 0.361 3 0 "[ . 1 . 2]" 2
84 1 55 PRO O 1 59 LEU N . . 2.600 2.735 2.693 2.802 0.202 17 0 "[ . 1 . 2]" 2
85 1 56 ALA O 1 60 LEU H . . 1.700 2.205 2.201 2.210 0.510 8 20 [****-**+************] 2
86 1 56 ALA C 1 60 LEU H . . 2.600 3.256 3.161 3.311 0.711 8 20 [*******+**-*********] 2
87 1 56 ALA O 1 60 LEU N . . 2.600 3.162 3.094 3.183 0.583 7 19 "[******+***-****** **]" 2
88 1 57 TYR O 1 61 ARG H . . 1.700 1.932 1.784 2.201 0.501 13 1 "[ . 1 + . 2]" 2
89 1 57 TYR C 1 61 ARG H . . 2.600 3.043 2.938 3.220 0.620 12 5 "[ * . -* 1 +* . 2]" 2
90 1 57 TYR O 1 61 ARG N . . 2.600 2.837 2.719 3.080 0.480 13 0 "[ . 1 . 2]" 2
91 1 58 THR O 1 62 ASN H . . 1.700 2.087 1.944 2.210 0.510 18 4 "[ - . *1 . +*2]" 2
92 1 58 THR C 1 62 ASN H . . 2.600 3.113 2.942 3.319 0.719 8 11 "[ * * +**- ** ***]" 2
93 1 58 THR O 1 62 ASN N . . 2.600 3.024 2.895 3.153 0.553 19 5 "[ * * - 1 * +2]" 2
94 1 59 LEU O 1 63 TRP H . . 1.700 1.964 1.803 2.149 0.449 6 0 "[ . 1 . 2]" 2
95 1 59 LEU C 1 63 TRP H . . 2.600 3.070 2.909 3.290 0.690 16 7 "[- ** * * .+ *]" 2
96 1 59 LEU O 1 63 TRP N . . 2.600 2.857 2.730 3.075 0.475 16 0 "[ . 1 . 2]" 2
97 1 60 LEU O 1 64 ALA H . . 1.700 1.982 1.790 2.160 0.460 2 0 "[ . 1 . 2]" 2
98 1 60 LEU C 1 64 ALA H . . 2.600 3.133 2.757 3.303 0.703 13 13 "[****-** *1 *+*. * *]" 2
99 1 60 LEU O 1 64 ALA N . . 2.600 2.944 2.693 3.134 0.534 2 6 "[*+ *.* 1 -. *]" 2
100 1 61 ARG O 1 65 ALA H . . 1.700 1.959 1.804 2.207 0.507 8 1 "[ . + 1 . 2]" 2
101 1 61 ARG C 1 65 ALA H . . 2.600 3.042 2.913 3.184 0.584 17 4 "[ - . ** 1 . + 2]" 2
102 1 61 ARG O 1 65 ALA N . . 2.600 2.833 2.722 3.055 0.455 8 0 "[ . 1 . 2]" 2
103 1 62 ASN O 1 66 GLN H . . 1.700 1.934 1.795 2.204 0.504 19 2 "[ - 1 . +2]" 2
104 1 62 ASN C 1 66 GLN H . . 2.600 2.984 2.731 3.221 0.621 5 3 "[ + 1 - *2]" 2
105 1 62 ASN O 1 66 GLN N . . 2.600 2.783 2.697 3.019 0.419 5 0 "[ . 1 . 2]" 2
106 1 63 TRP O 1 67 GLU H . . 1.700 2.086 1.797 2.203 0.503 13 1 "[ . 1 + . 2]" 2
107 1 63 TRP C 1 67 GLU H . . 2.600 3.226 2.977 3.312 0.712 3 17 "[ +******** ****-***]" 2
108 1 63 TRP O 1 67 GLU N . . 2.600 3.037 2.737 3.176 0.576 13 5 "[ - . 1 +*** 2]" 2
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