NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567040 |
2mal   |
19365 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mal
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 387
_Distance_constraint_stats_list.Viol_count 907
_Distance_constraint_stats_list.Viol_total 1104.747
_Distance_constraint_stats_list.Viol_max 0.492
_Distance_constraint_stats_list.Viol_rms 0.0305
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0609
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 0.770 0.047 12 0 "[ . 1 . 2]"
1 3 SER 0.765 0.073 20 0 "[ . 1 . 2]"
1 4 CYS 2.566 0.222 19 0 "[ . 1 . 2]"
1 5 GLY 3.412 0.136 14 0 "[ . 1 . 2]"
1 6 ALA 0.765 0.073 20 0 "[ . 1 . 2]"
1 7 VAL 0.019 0.019 14 0 "[ . 1 . 2]"
1 8 THR 0.036 0.021 9 0 "[ . 1 . 2]"
1 9 SER 0.110 0.094 14 0 "[ . 1 . 2]"
1 10 ASP 0.130 0.094 14 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PRO 3.446 0.178 13 0 "[ . 1 . 2]"
1 14 CYS 3.446 0.178 13 0 "[ . 1 . 2]"
1 15 LEU 5.010 0.285 14 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 0.295 0.061 7 0 "[ . 1 . 2]"
1 18 LEU 1.139 0.127 14 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.628 0.031 2 0 "[ . 1 . 2]"
1 21 GLY 0.295 0.061 7 0 "[ . 1 . 2]"
1 22 PRO 0.152 0.021 19 0 "[ . 1 . 2]"
1 23 GLY 0.152 0.021 19 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.521 0.038 14 0 "[ . 1 . 2]"
1 26 PRO 0.093 0.033 11 0 "[ . 1 . 2]"
1 27 GLN 0.784 0.055 8 0 "[ . 1 . 2]"
1 28 CYS 0.718 0.066 15 0 "[ . 1 . 2]"
1 29 CYS 0.774 0.066 15 0 "[ . 1 . 2]"
1 30 GLY 0.710 0.055 8 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 1.749 0.084 14 0 "[ . 1 . 2]"
1 34 LYS 1.387 0.084 14 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.477 0.072 13 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.033 0.022 19 0 "[ . 1 . 2]"
1 39 ALA 0.240 0.040 13 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 THR 0.026 0.007 2 0 "[ . 1 . 2]"
1 42 THR 1.829 0.127 2 0 "[ . 1 . 2]"
1 43 PRO 6.309 0.492 13 0 "[ . 1 . 2]"
1 44 ASP 5.858 0.492 13 0 "[ . 1 . 2]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 2.564 0.186 3 0 "[ . 1 . 2]"
1 47 ALA 0.226 0.043 4 0 "[ . 1 . 2]"
1 48 ALA 0.007 0.007 19 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASN 2.983 0.123 1 0 "[ . 1 . 2]"
1 51 CYS 0.375 0.041 19 0 "[ . 1 . 2]"
1 52 LEU 2.775 0.147 19 0 "[ . 1 . 2]"
1 53 LYS 1.983 0.117 19 0 "[ . 1 . 2]"
1 54 SER 1.983 0.117 19 0 "[ . 1 . 2]"
1 55 ALA 2.191 0.147 19 0 "[ . 1 . 2]"
1 56 ALA 0.303 0.037 20 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.139 0.072 17 0 "[ . 1 . 2]"
1 59 ILE 2.080 0.089 10 0 "[ . 1 . 2]"
1 60 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.397 0.032 10 0 "[ . 1 . 2]"
1 62 LEU 1.602 0.067 10 0 "[ . 1 . 2]"
1 63 ASN 0.371 0.026 13 0 "[ . 1 . 2]"
1 64 THR 0.735 0.054 9 0 "[ . 1 . 2]"
1 65 ASN 0.015 0.004 8 0 "[ . 1 . 2]"
1 66 ASN 0.015 0.004 8 0 "[ . 1 . 2]"
1 67 ALA 1.715 0.057 9 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.545 0.127 14 0 "[ . 1 . 2]"
1 71 PRO 4.575 0.254 12 0 "[ . 1 . 2]"
1 72 GLY 4.575 0.254 12 0 "[ . 1 . 2]"
1 73 LYS 1.032 0.200 17 0 "[ . 1 . 2]"
1 74 CYS 0.088 0.029 14 0 "[ . 1 . 2]"
1 75 GLY 0.991 0.100 12 0 "[ . 1 . 2]"
1 76 VAL 1.946 0.100 17 0 "[ . 1 . 2]"
1 77 ASN 1.847 0.103 17 0 "[ . 1 . 2]"
1 78 ILE 0.103 0.062 8 0 "[ . 1 . 2]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 0.103 0.062 8 0 "[ . 1 . 2]"
1 81 LYS 0.066 0.026 3 0 "[ . 1 . 2]"
1 82 ILE 0.081 0.026 3 0 "[ . 1 . 2]"
1 83 SER 0.114 0.043 9 0 "[ . 1 . 2]"
1 84 THR 0.119 0.043 9 0 "[ . 1 . 2]"
1 85 THR 1.346 0.172 8 0 "[ . 1 . 2]"
1 86 THR 1.340 0.172 8 0 "[ . 1 . 2]"
1 87 ASN 0.195 0.058 6 0 "[ . 1 . 2]"
1 88 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 THR 2.355 0.194 8 0 "[ . 1 . 2]"
1 91 VAL 0.571 0.146 7 0 "[ . 1 . 2]"
1 92 LYS 0.004 0.003 1 0 "[ . 1 . 2]"
1 93 PHE 0.020 0.005 19 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 29 CYS HA 1 32 VAL H . . 4.090 3.517 3.410 3.589 . 0 0 "[ . 1 . 2]" 1
2 1 32 VAL H 1 32 VAL HB . . 3.210 2.579 2.477 2.645 . 0 0 "[ . 1 . 2]" 1
3 1 32 VAL H 1 32 VAL QG . . 2.740 2.188 2.116 2.229 . 0 0 "[ . 1 . 2]" 1
4 1 22 PRO HB2 1 23 GLY H . . 3.320 3.302 2.893 3.341 0.021 19 0 "[ . 1 . 2]" 1
5 1 22 PRO HA 1 23 GLY H . . 2.930 2.193 2.184 2.303 . 0 0 "[ . 1 . 2]" 1
6 1 65 ASN H 1 65 ASN HB3 . . 3.710 3.549 3.493 3.588 . 0 0 "[ . 1 . 2]" 1
7 1 63 ASN HA 1 65 ASN H . . 4.820 3.603 3.516 3.659 . 0 0 "[ . 1 . 2]" 1
8 1 65 ASN H 1 65 ASN HB2 . . 3.280 2.308 2.184 2.434 . 0 0 "[ . 1 . 2]" 1
9 1 33 LYS H 1 34 LYS H . . 3.140 2.679 2.654 2.718 . 0 0 "[ . 1 . 2]" 1
10 1 34 LYS H 1 34 LYS HB2 . . 2.960 2.342 2.263 2.436 . 0 0 "[ . 1 . 2]" 1
11 1 34 LYS H 1 34 LYS HB3 . . 2.930 2.762 2.663 2.854 . 0 0 "[ . 1 . 2]" 1
12 1 33 LYS HA 1 34 LYS H . . 3.380 3.449 3.437 3.464 0.084 14 0 "[ . 1 . 2]" 1
13 1 18 LEU H 1 18 LEU HG . . 2.960 2.830 2.332 2.983 0.023 10 0 "[ . 1 . 2]" 1
14 1 18 LEU H 1 19 THR H . . 3.210 2.560 2.520 2.592 . 0 0 "[ . 1 . 2]" 1
15 1 15 LEU HA 1 18 LEU H . . 3.590 3.180 3.126 3.374 . 0 0 "[ . 1 . 2]" 1
16 1 18 LEU H 1 18 LEU HB2 . . 3.010 2.235 2.171 2.482 . 0 0 "[ . 1 . 2]" 1
17 1 17 TYR HB3 1 18 LEU H . . 3.420 2.700 2.557 2.774 . 0 0 "[ . 1 . 2]" 1
18 1 11 LEU HB2 1 12 SER H . . 3.140 2.846 2.811 2.933 . 0 0 "[ . 1 . 2]" 1
19 1 12 SER H 1 13 PRO HD2 . . 3.350 2.124 2.073 2.174 . 0 0 "[ . 1 . 2]" 1
20 1 12 SER H 1 12 SER QB . . 2.920 2.166 2.114 2.207 . 0 0 "[ . 1 . 2]" 1
21 1 12 SER H 1 13 PRO HD3 . . 3.770 3.143 3.052 3.196 . 0 0 "[ . 1 . 2]" 1
22 1 33 LYS H 1 33 LYS QB . . 2.800 2.261 2.231 2.285 . 0 0 "[ . 1 . 2]" 1
23 1 32 VAL QG 1 33 LYS H . . 3.580 2.947 2.869 2.999 . 0 0 "[ . 1 . 2]" 1
24 1 32 VAL HB 1 33 LYS H . . 3.240 2.236 2.144 2.353 . 0 0 "[ . 1 . 2]" 1
25 1 33 LYS H 1 33 LYS HG3 . . 3.110 2.607 2.557 2.687 . 0 0 "[ . 1 . 2]" 1
26 1 33 LYS H 1 33 LYS QD . . 3.760 3.752 3.589 3.790 0.030 14 0 "[ . 1 . 2]" 1
27 1 33 LYS H 1 33 LYS HG2 . . 3.830 3.837 3.787 3.884 0.054 14 0 "[ . 1 . 2]" 1
28 1 7 VAL MG1 1 8 THR H . . 3.880 3.607 3.409 3.711 . 0 0 "[ . 1 . 2]" 1
29 1 8 THR H 1 9 SER H . . 3.290 2.566 2.476 2.619 . 0 0 "[ . 1 . 2]" 1
30 1 8 THR H 1 8 THR HB . . 3.160 2.734 2.596 2.872 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLY HA2 1 8 THR H . . 3.840 3.645 3.437 3.861 0.021 9 0 "[ . 1 . 2]" 1
32 1 7 VAL HB 1 8 THR H . . 3.250 2.536 2.416 2.742 . 0 0 "[ . 1 . 2]" 1
33 1 54 SER H 1 55 ALA H . . 3.200 2.463 2.449 2.511 . 0 0 "[ . 1 . 2]" 1
34 1 52 LEU HA 1 55 ALA H . . 3.150 3.258 3.231 3.297 0.147 19 0 "[ . 1 . 2]" 1
35 1 55 ALA H 1 55 ALA MB . . 2.730 2.175 2.113 2.237 . 0 0 "[ . 1 . 2]" 1
36 1 55 ALA H 1 56 ALA H . . 2.940 2.675 2.628 2.748 . 0 0 "[ . 1 . 2]" 1
37 1 11 LEU H 1 11 LEU HB2 . . 2.840 2.245 2.165 2.425 . 0 0 "[ . 1 . 2]" 1
38 1 11 LEU H 1 12 SER H . . 2.840 2.536 2.509 2.545 . 0 0 "[ . 1 . 2]" 1
39 1 8 THR HA 1 11 LEU H . . 3.470 3.221 2.943 3.306 . 0 0 "[ . 1 . 2]" 1
40 1 11 LEU H 1 11 LEU HG . . 3.320 2.819 2.402 3.076 . 0 0 "[ . 1 . 2]" 1
41 1 10 ASP H 1 11 LEU H . . 3.240 2.451 2.419 2.465 . 0 0 "[ . 1 . 2]" 1
42 1 56 ALA HA 1 58 SER H . . 4.050 3.481 3.404 3.724 . 0 0 "[ . 1 . 2]" 1
43 1 58 SER H 1 58 SER QB . . 3.200 2.536 2.298 3.027 . 0 0 "[ . 1 . 2]" 1
44 1 55 ALA HA 1 58 SER H . . 4.260 4.129 3.848 4.273 0.013 7 0 "[ . 1 . 2]" 1
45 1 39 ALA H 1 39 ALA MB . . 2.910 2.501 2.403 2.531 . 0 0 "[ . 1 . 2]" 1
46 1 36 LEU HA 1 39 ALA H . . 3.610 3.611 3.504 3.650 0.040 13 0 "[ . 1 . 2]" 1
47 1 38 ALA MB 1 39 ALA H . . 3.250 3.179 3.047 3.272 0.022 19 0 "[ . 1 . 2]" 1
48 1 38 ALA HA 1 39 ALA H . . 3.500 3.333 3.278 3.404 . 0 0 "[ . 1 . 2]" 1
49 1 65 ASN H 1 66 ASN H . . 2.910 2.640 2.568 2.697 . 0 0 "[ . 1 . 2]" 1
50 1 63 ASN HB3 1 66 ASN H . . 4.000 2.401 2.340 2.481 . 0 0 "[ . 1 . 2]" 1
51 1 66 ASN H 1 66 ASN HB3 . . 3.620 3.596 3.570 3.601 . 0 0 "[ . 1 . 2]" 1
52 1 66 ASN H 1 66 ASN HB2 . . 3.180 2.513 2.345 2.586 . 0 0 "[ . 1 . 2]" 1
53 1 65 ASN HB3 1 66 ASN H . . 3.470 3.406 3.214 3.474 0.004 8 0 "[ . 1 . 2]" 1
54 1 66 ASN H 1 67 ALA H . . 3.510 2.576 2.531 2.606 . 0 0 "[ . 1 . 2]" 1
55 1 65 ASN HB2 1 66 ASN H . . 3.280 2.653 2.476 2.911 . 0 0 "[ . 1 . 2]" 1
56 1 35 LEU H 1 35 LEU HB3 . . 3.040 2.642 2.565 2.669 . 0 0 "[ . 1 . 2]" 1
57 1 35 LEU H 1 35 LEU HB2 . . 3.230 2.380 2.355 2.449 . 0 0 "[ . 1 . 2]" 1
58 1 34 LYS HB2 1 35 LEU H . . 3.790 3.672 3.589 3.786 . 0 0 "[ . 1 . 2]" 1
59 1 34 LYS HB3 1 35 LEU H . . 3.330 2.629 2.551 2.753 . 0 0 "[ . 1 . 2]" 1
60 1 32 VAL HA 1 35 LEU H . . 4.120 3.468 3.423 3.500 . 0 0 "[ . 1 . 2]" 1
61 1 87 ASN HB3 1 87 ASN HD21 . . 3.480 2.657 2.522 2.853 . 0 0 "[ . 1 . 2]" 1
62 1 87 ASN HB2 1 87 ASN HD21 . . 3.290 2.437 2.275 2.563 . 0 0 "[ . 1 . 2]" 1
63 1 85 THR H 1 86 THR H . . 2.950 2.704 2.117 2.966 0.016 6 0 "[ . 1 . 2]" 1
64 1 86 THR H 1 86 THR HB . . 2.790 2.547 2.433 2.651 . 0 0 "[ . 1 . 2]" 1
65 1 2 ILE MG 1 48 ALA H . . 3.650 3.024 2.802 3.523 . 0 0 "[ . 1 . 2]" 1
66 1 47 ALA MB 1 48 ALA H . . 3.020 2.385 2.177 2.513 . 0 0 "[ . 1 . 2]" 1
67 1 48 ALA H 1 48 ALA MB . . 2.700 2.180 2.139 2.226 . 0 0 "[ . 1 . 2]" 1
68 1 45 ARG HA 1 48 ALA H . . 4.110 3.800 3.692 3.936 . 0 0 "[ . 1 . 2]" 1
69 1 47 ALA H 1 48 ALA H . . 3.270 2.886 2.804 2.991 . 0 0 "[ . 1 . 2]" 1
70 1 68 ALA H 1 69 ALA H . . 3.090 2.445 2.433 2.459 . 0 0 "[ . 1 . 2]" 1
71 1 69 ALA H 1 69 ALA MB . . 2.540 2.231 2.112 2.252 . 0 0 "[ . 1 . 2]" 1
72 1 69 ALA H 1 70 LEU H . . 3.230 2.481 2.470 2.499 . 0 0 "[ . 1 . 2]" 1
73 1 35 LEU HB3 1 36 LEU H . . 3.230 2.598 2.319 2.813 . 0 0 "[ . 1 . 2]" 1
74 1 36 LEU H 1 36 LEU HB2 . . 2.990 2.380 2.160 2.751 . 0 0 "[ . 1 . 2]" 1
75 1 36 LEU H 1 36 LEU MD1 . . 3.610 3.438 3.085 3.668 0.058 16 0 "[ . 1 . 2]" 1
76 1 36 LEU H 1 36 LEU HG . . 3.020 2.659 1.967 3.092 0.072 13 0 "[ . 1 . 2]" 1
77 1 35 LEU MD2 1 36 LEU H . . 4.150 3.344 3.101 3.501 . 0 0 "[ . 1 . 2]" 1
78 1 33 LYS HA 1 36 LEU H . . 3.900 3.519 3.441 3.680 . 0 0 "[ . 1 . 2]" 1
79 1 58 SER H 1 59 ILE H . . 3.020 2.510 2.378 2.688 . 0 0 "[ . 1 . 2]" 1
80 1 56 ALA HA 1 59 ILE H . . 3.870 3.740 3.513 3.907 0.037 20 0 "[ . 1 . 2]" 1
81 1 59 ILE H 1 59 ILE HG13 . . 3.930 3.092 2.174 3.861 . 0 0 "[ . 1 . 2]" 1
82 1 59 ILE H 1 59 ILE MD . . 3.660 3.632 3.365 3.720 0.060 10 0 "[ . 1 . 2]" 1
83 1 59 ILE H 1 59 ILE HB . . 2.970 2.545 2.499 2.641 . 0 0 "[ . 1 . 2]" 1
84 1 59 ILE H 1 59 ILE HG12 . . 3.340 2.873 2.290 3.429 0.089 10 0 "[ . 1 . 2]" 1
85 1 58 SER QB 1 59 ILE H . . 3.910 3.708 3.421 3.982 0.072 17 0 "[ . 1 . 2]" 1
86 1 83 SER HB2 1 85 THR H . . 4.070 3.283 2.280 4.002 . 0 0 "[ . 1 . 2]" 1
87 1 85 THR H 1 86 THR HB . . 4.320 4.386 4.343 4.492 0.172 8 0 "[ . 1 . 2]" 1
88 1 84 THR MG 1 85 THR H . . 4.360 3.796 2.502 4.363 0.003 7 0 "[ . 1 . 2]" 1
89 1 83 SER HB3 1 85 THR H . . 4.100 3.263 2.237 4.039 . 0 0 "[ . 1 . 2]" 1
90 1 85 THR H 1 85 THR MG . . 3.360 2.678 2.427 2.888 . 0 0 "[ . 1 . 2]" 1
91 1 3 SER H 1 3 SER QB . . 3.600 2.326 2.218 2.682 . 0 0 "[ . 1 . 2]" 1
92 1 2 ILE HA 1 3 SER H . . 2.630 2.160 2.139 2.251 . 0 0 "[ . 1 . 2]" 1
93 1 2 ILE MG 1 3 SER H . . 3.570 2.550 1.911 2.791 . 0 0 "[ . 1 . 2]" 1
94 1 3 SER H 1 6 ALA MB . . 3.510 3.548 3.512 3.583 0.073 20 0 "[ . 1 . 2]" 1
95 1 53 LYS H 1 53 LYS HB3 . . 3.130 2.975 2.962 2.997 . 0 0 "[ . 1 . 2]" 1
96 1 52 LEU HB2 1 53 LYS H . . 3.590 2.509 2.384 2.599 . 0 0 "[ . 1 . 2]" 1
97 1 53 LYS H 1 53 LYS HB2 . . 3.230 2.161 2.149 2.168 . 0 0 "[ . 1 . 2]" 1
98 1 16 THR H 1 16 THR HB . . 3.190 2.761 2.640 2.892 . 0 0 "[ . 1 . 2]" 1
99 1 15 LEU HB2 1 16 THR H . . 3.890 2.668 2.513 2.712 . 0 0 "[ . 1 . 2]" 1
100 1 15 LEU H 1 16 THR H . . 3.700 2.735 2.684 2.982 . 0 0 "[ . 1 . 2]" 1
101 1 15 LEU HB3 1 16 THR H . . 3.740 3.076 2.881 3.142 . 0 0 "[ . 1 . 2]" 1
102 1 87 ASN HB3 1 87 ASN HD22 . . 3.690 3.659 3.600 3.748 0.058 6 0 "[ . 1 . 2]" 1
103 1 87 ASN HB2 1 87 ASN HD22 . . 3.600 3.563 3.496 3.616 0.016 10 0 "[ . 1 . 2]" 1
104 1 68 ALA H 1 68 ALA MB . . 2.510 2.143 2.119 2.225 . 0 0 "[ . 1 . 2]" 1
105 1 67 ALA MB 1 68 ALA H . . 2.990 2.655 2.593 2.698 . 0 0 "[ . 1 . 2]" 1
106 1 65 ASN HA 1 68 ALA H . . 4.030 3.720 3.679 3.811 . 0 0 "[ . 1 . 2]" 1
107 1 5 GLY H 1 5 GLY HA3 . . 2.620 2.295 2.294 2.296 . 0 0 "[ . 1 . 2]" 1
108 1 4 CYS HA 1 5 GLY H . . 3.430 3.537 3.523 3.566 0.136 14 0 "[ . 1 . 2]" 1
109 1 5 GLY H 1 6 ALA H . . 3.190 2.775 2.744 2.843 . 0 0 "[ . 1 . 2]" 1
110 1 5 GLY H 1 5 GLY HA2 . . 2.720 2.782 2.776 2.793 0.073 9 0 "[ . 1 . 2]" 1
111 1 87 ASN HB3 1 90 THR H . . 4.110 3.408 2.873 3.678 . 0 0 "[ . 1 . 2]" 1
112 1 90 THR H 1 90 THR HB . . 3.490 3.568 3.522 3.684 0.194 8 0 "[ . 1 . 2]" 1
113 1 90 THR H 1 90 THR MG . . 3.240 3.120 2.898 3.360 0.120 8 0 "[ . 1 . 2]" 1
114 1 89 ASN QB 1 90 THR H . . 3.850 2.949 2.642 3.459 . 0 0 "[ . 1 . 2]" 1
115 1 90 THR H 1 91 VAL H . . 3.120 2.803 2.194 3.266 0.146 7 0 "[ . 1 . 2]" 1
116 1 89 ASN H 1 90 THR H . . 3.130 2.542 2.406 2.752 . 0 0 "[ . 1 . 2]" 1
117 1 63 ASN HB2 1 63 ASN HD21 . . 2.960 2.127 2.116 2.148 . 0 0 "[ . 1 . 2]" 1
118 1 14 CYS H 1 14 CYS HB2 . . 3.080 2.272 2.163 2.285 . 0 0 "[ . 1 . 2]" 1
119 1 14 CYS H 1 15 LEU H . . 2.810 2.369 2.350 2.512 . 0 0 "[ . 1 . 2]" 1
120 1 13 PRO HD3 1 14 CYS H . . 3.680 3.852 3.837 3.858 0.178 13 0 "[ . 1 . 2]" 1
121 1 11 LEU HA 1 14 CYS H . . 3.730 3.305 3.279 3.326 . 0 0 "[ . 1 . 2]" 1
122 1 13 PRO HB2 1 14 CYS H . . 4.230 3.488 3.346 3.525 . 0 0 "[ . 1 . 2]" 1
123 1 75 GLY HA3 1 76 VAL H . . 3.450 3.456 3.221 3.550 0.100 12 0 "[ . 1 . 2]" 1
124 1 76 VAL H 1 76 VAL HB . . 3.630 3.302 3.064 3.443 . 0 0 "[ . 1 . 2]" 1
125 1 76 VAL H 1 76 VAL MG2 . . 3.960 3.889 3.788 3.980 0.020 19 0 "[ . 1 . 2]" 1
126 1 76 VAL H 1 76 VAL MG1 . . 2.940 2.171 1.922 2.400 . 0 0 "[ . 1 . 2]" 1
127 1 92 LYS H 1 92 LYS HB3 . . 3.560 3.540 3.506 3.563 0.003 1 0 "[ . 1 . 2]" 1
128 1 92 LYS H 1 92 LYS HB2 . . 3.080 2.288 2.240 2.370 . 0 0 "[ . 1 . 2]" 1
129 1 91 VAL HA 1 92 LYS H . . 2.710 2.152 2.139 2.185 . 0 0 "[ . 1 . 2]" 1
130 1 91 VAL MG1 1 92 LYS H . . 3.320 2.511 2.229 2.833 . 0 0 "[ . 1 . 2]" 1
131 1 28 CYS HA 1 31 GLY H . . 3.820 3.607 3.362 3.791 . 0 0 "[ . 1 . 2]" 1
132 1 31 GLY H 1 31 GLY HA3 . . 2.940 2.299 2.297 2.304 . 0 0 "[ . 1 . 2]" 1
133 1 30 GLY HA3 1 31 GLY H . . 3.550 2.755 2.693 2.830 . 0 0 "[ . 1 . 2]" 1
134 1 87 ASN HA 1 88 CYS H . . 2.540 2.198 2.159 2.224 . 0 0 "[ . 1 . 2]" 1
135 1 88 CYS H 1 88 CYS HB2 . . 3.010 2.352 2.175 2.642 . 0 0 "[ . 1 . 2]" 1
136 1 88 CYS H 1 89 ASN H . . 2.980 2.479 2.382 2.715 . 0 0 "[ . 1 . 2]" 1
137 1 27 GLN HB2 1 28 CYS H . . 3.520 2.845 2.765 2.931 . 0 0 "[ . 1 . 2]" 1
138 1 25 SER HG 1 28 CYS H . . 3.320 2.722 2.412 3.224 . 0 0 "[ . 1 . 2]" 1
139 1 28 CYS H 1 28 CYS HB2 . . 3.170 2.747 2.648 2.772 . 0 0 "[ . 1 . 2]" 1
140 1 27 GLN H 1 28 CYS H . . 3.120 2.596 2.504 2.723 . 0 0 "[ . 1 . 2]" 1
141 1 28 CYS H 1 28 CYS HB3 . . 3.030 2.334 2.313 2.415 . 0 0 "[ . 1 . 2]" 1
142 1 25 SER HB2 1 28 CYS H . . 4.050 3.204 2.850 3.982 . 0 0 "[ . 1 . 2]" 1
143 1 13 PRO HB2 1 28 CYS H . . 4.180 2.995 2.827 3.094 . 0 0 "[ . 1 . 2]" 1
144 1 28 CYS HB2 1 29 CYS H . . 3.840 3.870 3.810 3.906 0.066 15 0 "[ . 1 . 2]" 1
145 1 29 CYS H 1 29 CYS HB3 . . 3.730 3.559 3.493 3.582 . 0 0 "[ . 1 . 2]" 1
146 1 28 CYS H 1 29 CYS H . . 3.360 2.741 2.689 2.787 . 0 0 "[ . 1 . 2]" 1
147 1 24 PRO HB2 1 29 CYS H . . 4.430 3.979 3.866 4.060 . 0 0 "[ . 1 . 2]" 1
148 1 29 CYS H 1 30 GLY H . . 3.350 2.878 2.781 2.909 . 0 0 "[ . 1 . 2]" 1
149 1 26 PRO HA 1 29 CYS H . . 3.880 3.775 3.684 3.913 0.033 11 0 "[ . 1 . 2]" 1
150 1 29 CYS H 1 29 CYS HB2 . . 3.190 2.341 2.184 2.418 . 0 0 "[ . 1 . 2]" 1
151 1 28 CYS HB3 1 29 CYS H . . 3.230 2.464 2.375 2.519 . 0 0 "[ . 1 . 2]" 1
152 1 81 LYS H 1 81 LYS QB . . 3.150 2.431 2.217 2.820 . 0 0 "[ . 1 . 2]" 1
153 1 80 TYR HA 1 81 LYS H . . 3.010 2.510 2.247 2.714 . 0 0 "[ . 1 . 2]" 1
154 1 17 TYR HA 1 20 GLY H . . 3.880 3.444 3.356 3.722 . 0 0 "[ . 1 . 2]" 1
155 1 20 GLY H 1 20 GLY HA3 . . 2.940 2.953 2.946 2.955 0.015 7 0 "[ . 1 . 2]" 1
156 1 18 LEU HA 1 20 GLY H . . 3.810 3.819 3.633 3.841 0.031 2 0 "[ . 1 . 2]" 1
157 1 20 GLY H 1 21 GLY H . . 2.860 2.089 2.010 2.161 . 0 0 "[ . 1 . 2]" 1
158 1 16 THR HA 1 19 THR H . . 4.010 3.894 3.670 3.947 . 0 0 "[ . 1 . 2]" 1
159 1 19 THR H 1 19 THR MG . . 3.400 3.036 2.945 3.101 . 0 0 "[ . 1 . 2]" 1
160 1 18 LEU HB2 1 19 THR H . . 3.870 3.398 3.314 3.447 . 0 0 "[ . 1 . 2]" 1
161 1 19 THR H 1 19 THR HB . . 3.980 3.581 3.557 3.603 . 0 0 "[ . 1 . 2]" 1
162 1 63 ASN HB2 1 63 ASN HD22 . . 3.420 3.439 3.434 3.446 0.026 13 0 "[ . 1 . 2]" 1
163 1 73 LYS HB3 1 74 CYS H . . 3.770 3.657 3.236 3.799 0.029 14 0 "[ . 1 . 2]" 1
164 1 71 PRO HA 1 74 CYS H . . 3.660 3.491 3.423 3.577 . 0 0 "[ . 1 . 2]" 1
165 1 70 LEU MD1 1 74 CYS H . . 4.260 4.114 3.930 4.191 . 0 0 "[ . 1 . 2]" 1
166 1 74 CYS H 1 74 CYS HB3 . . 3.670 3.548 3.475 3.614 . 0 0 "[ . 1 . 2]" 1
167 1 73 LYS H 1 74 CYS H . . 3.070 2.459 2.423 2.554 . 0 0 "[ . 1 . 2]" 1
168 1 74 CYS H 1 75 GLY H . . 2.950 2.520 2.444 2.543 . 0 0 "[ . 1 . 2]" 1
169 1 73 LYS HB2 1 74 CYS H . . 3.470 2.922 2.559 3.189 . 0 0 "[ . 1 . 2]" 1
170 1 74 CYS H 1 76 VAL MG1 . . 4.260 3.702 3.544 3.835 . 0 0 "[ . 1 . 2]" 1
171 1 74 CYS H 1 74 CYS HB2 . . 2.970 2.287 2.187 2.446 . 0 0 "[ . 1 . 2]" 1
172 1 53 LYS HB3 1 54 SER H . . 3.480 2.643 2.594 2.715 . 0 0 "[ . 1 . 2]" 1
173 1 53 LYS H 1 54 SER H . . 3.370 2.832 2.815 2.843 . 0 0 "[ . 1 . 2]" 1
174 1 53 LYS HB2 1 54 SER H . . 3.460 3.559 3.541 3.577 0.117 19 0 "[ . 1 . 2]" 1
175 1 54 SER H 1 54 SER QB . . 2.960 2.327 2.173 2.741 . 0 0 "[ . 1 . 2]" 1
176 1 83 SER H 1 83 SER HA . . 2.930 2.829 2.793 2.906 . 0 0 "[ . 1 . 2]" 1
177 1 82 ILE HA 1 83 SER H . . 2.530 2.182 2.140 2.223 . 0 0 "[ . 1 . 2]" 1
178 1 5 GLY HA3 1 6 ALA H . . 3.440 2.886 2.765 3.016 . 0 0 "[ . 1 . 2]" 1
179 1 6 ALA H 1 6 ALA MB . . 2.540 2.137 2.108 2.216 . 0 0 "[ . 1 . 2]" 1
180 1 43 PRO HB3 1 44 ASP H . . 3.500 3.792 3.701 3.992 0.492 13 0 "[ . 1 . 2]" 1
181 1 44 ASP H 1 44 ASP HB3 . . 3.580 3.499 3.493 3.568 . 0 0 "[ . 1 . 2]" 1
182 1 41 THR HB 1 44 ASP H . . 4.240 4.197 4.067 4.247 0.007 2 0 "[ . 1 . 2]" 1
183 1 43 PRO HD2 1 44 ASP H . . 3.590 2.999 2.976 3.025 . 0 0 "[ . 1 . 2]" 1
184 1 44 ASP H 1 44 ASP HB2 . . 3.160 2.215 2.184 2.770 . 0 0 "[ . 1 . 2]" 1
185 1 44 ASP H 1 45 ARG H . . 3.150 2.685 2.642 2.746 . 0 0 "[ . 1 . 2]" 1
186 1 2 ILE H 1 2 ILE HG12 . . 3.870 3.909 3.904 3.917 0.047 12 0 "[ . 1 . 2]" 1
187 1 1 ALA MB 1 2 ILE H . . 3.620 2.989 2.228 3.617 . 0 0 "[ . 1 . 2]" 1
188 1 1 ALA HA 1 2 ILE H . . 2.830 2.245 2.141 2.481 . 0 0 "[ . 1 . 2]" 1
189 1 2 ILE H 1 2 ILE HB . . 3.230 2.482 2.470 2.531 . 0 0 "[ . 1 . 2]" 1
190 1 86 THR HA 1 87 ASN H . . 2.460 2.202 2.142 2.228 . 0 0 "[ . 1 . 2]" 1
191 1 87 ASN H 1 87 ASN HB3 . . 3.010 2.831 2.585 3.021 0.011 12 0 "[ . 1 . 2]" 1
192 1 87 ASN H 1 87 ASN HB2 . . 3.270 2.887 2.632 3.084 . 0 0 "[ . 1 . 2]" 1
193 1 86 THR MG 1 87 ASN H . . 3.120 2.171 2.025 2.632 . 0 0 "[ . 1 . 2]" 1
194 1 9 SER H 1 9 SER QB . . 3.000 2.154 2.132 2.190 . 0 0 "[ . 1 . 2]" 1
195 1 8 THR MG 1 9 SER H . . 4.290 4.005 3.861 4.129 . 0 0 "[ . 1 . 2]" 1
196 1 8 THR HB 1 9 SER H . . 3.320 3.046 2.954 3.265 . 0 0 "[ . 1 . 2]" 1
197 1 63 ASN H 1 63 ASN HB3 . . 3.300 2.880 2.866 2.906 . 0 0 "[ . 1 . 2]" 1
198 1 62 LEU QD 1 63 ASN H . . 3.190 2.862 2.742 2.908 . 0 0 "[ . 1 . 2]" 1
199 1 63 ASN H 1 63 ASN HB2 . . 3.470 2.601 2.550 2.667 . 0 0 "[ . 1 . 2]" 1
200 1 62 LEU HG 1 63 ASN H . . 3.530 2.457 2.441 2.467 . 0 0 "[ . 1 . 2]" 1
201 1 62 LEU HA 1 63 ASN H . . 2.570 2.202 2.201 2.204 . 0 0 "[ . 1 . 2]" 1
202 1 49 CYS HB2 1 50 ASN H . . 3.440 2.832 2.677 2.951 . 0 0 "[ . 1 . 2]" 1
203 1 50 ASN H 1 50 ASN HB3 . . 3.470 3.590 3.585 3.593 0.123 1 0 "[ . 1 . 2]" 1
204 1 47 ALA HA 1 50 ASN H . . 3.740 3.746 3.712 3.783 0.043 4 0 "[ . 1 . 2]" 1
205 1 49 CYS HB3 1 50 ASN H . . 4.120 3.338 3.110 3.438 . 0 0 "[ . 1 . 2]" 1
206 1 50 ASN H 1 50 ASN HB2 . . 2.980 2.507 2.451 2.635 . 0 0 "[ . 1 . 2]" 1
207 1 71 PRO HG3 1 72 GLY H . . 4.770 3.707 3.556 3.857 . 0 0 "[ . 1 . 2]" 1
208 1 69 ALA HA 1 72 GLY H . . 4.620 3.440 3.356 3.554 . 0 0 "[ . 1 . 2]" 1
209 1 72 GLY H 1 72 GLY QA . . 2.400 2.200 2.194 2.213 . 0 0 "[ . 1 . 2]" 1
210 1 71 PRO HD3 1 72 GLY H . . 3.620 3.849 3.838 3.874 0.254 12 0 "[ . 1 . 2]" 1
211 1 71 PRO HG2 1 72 GLY H . . 3.980 2.134 1.934 2.336 . 0 0 "[ . 1 . 2]" 1
212 1 71 PRO HB2 1 72 GLY H . . 3.340 3.124 2.918 3.308 . 0 0 "[ . 1 . 2]" 1
213 1 61 LYS H 1 61 LYS HG3 . . 3.890 3.410 3.110 3.871 . 0 0 "[ . 1 . 2]" 1
214 1 61 LYS H 1 61 LYS HB2 . . 3.330 3.350 3.337 3.362 0.032 10 0 "[ . 1 . 2]" 1
215 1 60 THR HA 1 61 LYS H . . 2.990 2.147 2.141 2.164 . 0 0 "[ . 1 . 2]" 1
216 1 61 LYS H 1 61 LYS HG2 . . 3.850 3.409 3.041 3.811 . 0 0 "[ . 1 . 2]" 1
217 1 61 LYS H 1 61 LYS HB3 . . 4.170 4.084 4.069 4.090 . 0 0 "[ . 1 . 2]" 1
218 1 26 PRO HB2 1 27 GLN H . . 3.490 3.089 2.955 3.246 . 0 0 "[ . 1 . 2]" 1
219 1 27 GLN H 1 27 GLN HB2 . . 3.150 2.289 2.190 2.467 . 0 0 "[ . 1 . 2]" 1
220 1 27 GLN H 1 27 GLN HG3 . . 3.830 2.797 2.251 3.542 . 0 0 "[ . 1 . 2]" 1
221 1 27 GLN H 1 27 GLN HB3 . . 3.640 3.544 3.497 3.589 . 0 0 "[ . 1 . 2]" 1
222 1 26 PRO QD 1 27 GLN H . . 3.560 2.637 2.606 2.678 . 0 0 "[ . 1 . 2]" 1
223 1 25 SER HB2 1 27 GLN H . . 3.510 2.945 2.527 3.531 0.021 20 0 "[ . 1 . 2]" 1
224 1 27 GLN H 1 27 GLN HG2 . . 4.330 4.038 3.669 4.243 . 0 0 "[ . 1 . 2]" 1
225 1 39 ALA MB 1 41 THR H . . 4.240 4.143 4.006 4.245 0.005 20 0 "[ . 1 . 2]" 1
226 1 41 THR H 1 41 THR MG . . 3.180 2.347 2.124 2.487 . 0 0 "[ . 1 . 2]" 1
227 1 40 ASN QB 1 41 THR H . . 3.840 2.854 2.601 3.474 . 0 0 "[ . 1 . 2]" 1
228 1 41 THR H 1 44 ASP HB2 . . 3.390 3.109 2.986 3.304 . 0 0 "[ . 1 . 2]" 1
229 1 29 CYS HB3 1 30 GLY H . . 4.090 3.264 3.114 3.374 . 0 0 "[ . 1 . 2]" 1
230 1 30 GLY H 1 31 GLY H . . 3.360 2.864 2.714 2.948 . 0 0 "[ . 1 . 2]" 1
231 1 27 GLN HA 1 30 GLY H . . 3.700 3.733 3.657 3.755 0.055 8 0 "[ . 1 . 2]" 1
232 1 30 GLY H 1 30 GLY HA3 . . 2.840 2.296 2.294 2.299 . 0 0 "[ . 1 . 2]" 1
233 1 29 CYS HB2 1 30 GLY H . . 3.770 2.563 2.451 2.781 . 0 0 "[ . 1 . 2]" 1
234 1 14 CYS HB2 1 15 LEU H . . 4.340 3.280 3.102 3.712 . 0 0 "[ . 1 . 2]" 1
235 1 15 LEU H 1 15 LEU MD1 . . 4.280 3.855 3.782 3.898 . 0 0 "[ . 1 . 2]" 1
236 1 13 PRO HA 1 15 LEU H . . 4.570 3.931 3.653 4.104 . 0 0 "[ . 1 . 2]" 1
237 1 15 LEU H 1 15 LEU HG . . 3.390 2.962 2.822 3.010 . 0 0 "[ . 1 . 2]" 1
238 1 15 LEU H 1 15 LEU MD2 . . 4.240 3.827 3.761 3.883 . 0 0 "[ . 1 . 2]" 1
239 1 12 SER HA 1 15 LEU H . . 4.090 3.738 3.684 3.932 . 0 0 "[ . 1 . 2]" 1
240 1 15 LEU H 1 15 LEU HB3 . . 3.230 3.481 3.468 3.515 0.285 14 0 "[ . 1 . 2]" 1
241 1 70 LEU H 1 71 PRO HD2 . . 3.590 2.110 2.047 2.188 . 0 0 "[ . 1 . 2]" 1
242 1 70 LEU H 1 70 LEU HG . . 4.530 4.186 4.136 4.211 . 0 0 "[ . 1 . 2]" 1
243 1 69 ALA MB 1 70 LEU H . . 3.120 2.821 2.671 2.918 . 0 0 "[ . 1 . 2]" 1
244 1 67 ALA HA 1 70 LEU H . . 3.940 3.644 3.616 3.679 . 0 0 "[ . 1 . 2]" 1
245 1 70 LEU H 1 71 PRO HD3 . . 3.840 3.134 3.087 3.193 . 0 0 "[ . 1 . 2]" 1
246 1 70 LEU H 1 70 LEU HB3 . . 3.340 2.195 2.165 2.214 . 0 0 "[ . 1 . 2]" 1
247 1 18 LEU MD2 1 70 LEU H . . 4.540 4.562 4.473 4.667 0.127 14 0 "[ . 1 . 2]" 1
248 1 70 LEU H 1 70 LEU HB2 . . 3.180 2.867 2.848 2.909 . 0 0 "[ . 1 . 2]" 1
249 1 73 LYS H 1 73 LYS HG3 . . 3.440 3.311 3.159 3.640 0.200 17 0 "[ . 1 . 2]" 1
250 1 72 GLY QA 1 73 LYS H . . 3.480 2.740 2.651 2.831 . 0 0 "[ . 1 . 2]" 1
251 1 73 LYS H 1 73 LYS HB2 . . 3.160 2.290 2.212 2.352 . 0 0 "[ . 1 . 2]" 1
252 1 81 LYS HA 1 82 ILE H . . 2.540 2.478 2.335 2.566 0.026 3 0 "[ . 1 . 2]" 1
253 1 82 ILE H 1 82 ILE HB . . 2.830 2.698 2.518 2.841 0.011 9 0 "[ . 1 . 2]" 1
254 1 48 ALA HA 1 51 CYS H . . 3.620 3.402 3.300 3.627 0.007 19 0 "[ . 1 . 2]" 1
255 1 51 CYS H 1 51 CYS HB2 . . 3.000 2.282 2.159 2.373 . 0 0 "[ . 1 . 2]" 1
256 1 50 ASN H 1 51 CYS H . . 3.000 2.722 2.640 2.871 . 0 0 "[ . 1 . 2]" 1
257 1 50 ASN HA 1 51 CYS H . . 3.530 3.548 3.529 3.571 0.041 19 0 "[ . 1 . 2]" 1
258 1 51 CYS H 1 52 LEU H . . 2.660 2.534 2.454 2.624 . 0 0 "[ . 1 . 2]" 1
259 1 50 ASN HB2 1 51 CYS H . . 3.440 2.501 2.202 2.646 . 0 0 "[ . 1 . 2]" 1
260 1 66 ASN HB3 1 66 ASN HD21 . . 3.020 2.572 2.172 2.950 . 0 0 "[ . 1 . 2]" 1
261 1 66 ASN HB2 1 66 ASN HD21 . . 3.030 2.533 2.212 3.026 . 0 0 "[ . 1 . 2]" 1
262 1 3 SER QB 1 4 CYS H . . 3.630 2.087 1.958 2.246 . 0 0 "[ . 1 . 2]" 1
263 1 4 CYS H 1 5 GLY H . . 3.510 2.008 1.917 2.260 . 0 0 "[ . 1 . 2]" 1
264 1 4 CYS H 1 4 CYS HB3 . . 3.500 3.514 3.468 3.722 0.222 19 0 "[ . 1 . 2]" 1
265 1 16 THR HB 1 17 TYR H . . 3.300 2.714 2.576 3.136 . 0 0 "[ . 1 . 2]" 1
266 1 17 TYR H 1 18 LEU H . . 3.170 2.359 2.333 2.448 . 0 0 "[ . 1 . 2]" 1
267 1 16 THR MG 1 17 TYR H . . 3.980 3.756 3.603 3.939 . 0 0 "[ . 1 . 2]" 1
268 1 14 CYS HA 1 17 TYR H . . 4.260 3.462 3.231 3.506 . 0 0 "[ . 1 . 2]" 1
269 1 16 THR H 1 17 TYR H . . 3.390 2.811 2.684 2.847 . 0 0 "[ . 1 . 2]" 1
270 1 17 TYR H 1 17 TYR HB3 . . 3.000 2.575 2.488 2.658 . 0 0 "[ . 1 . 2]" 1
271 1 75 GLY H 1 75 GLY HA3 . . 2.860 2.846 2.818 2.901 0.041 18 0 "[ . 1 . 2]" 1
272 1 75 GLY H 1 76 VAL H . . 3.240 2.617 2.560 2.729 . 0 0 "[ . 1 . 2]" 1
273 1 73 LYS HA 1 75 GLY H . . 4.280 3.577 3.442 3.766 . 0 0 "[ . 1 . 2]" 1
274 1 74 CYS HB2 1 75 GLY H . . 4.470 3.648 3.466 3.736 . 0 0 "[ . 1 . 2]" 1
275 1 78 ILE HB 1 80 TYR H . . 3.830 2.347 2.225 2.529 . 0 0 "[ . 1 . 2]" 1
276 1 80 TYR H 1 80 TYR HB3 . . 4.170 3.462 3.015 3.827 . 0 0 "[ . 1 . 2]" 1
277 1 78 ILE HG13 1 80 TYR H . . 3.810 3.417 3.214 3.762 . 0 0 "[ . 1 . 2]" 1
278 1 79 PRO HG3 1 80 TYR H . . 4.450 4.221 3.911 4.397 . 0 0 "[ . 1 . 2]" 1
279 1 78 ILE HG12 1 80 TYR H . . 3.760 3.341 3.038 3.822 0.062 8 0 "[ . 1 . 2]" 1
280 1 79 PRO HD3 1 80 TYR H . . 4.460 3.900 3.839 3.949 . 0 0 "[ . 1 . 2]" 1
281 1 46 GLN HB2 1 47 ALA H . . 3.710 2.653 2.322 2.791 . 0 0 "[ . 1 . 2]" 1
282 1 44 ASP HA 1 47 ALA H . . 3.890 3.577 3.474 3.739 . 0 0 "[ . 1 . 2]" 1
283 1 46 GLN HB3 1 47 ALA H . . 3.900 3.128 3.029 3.594 . 0 0 "[ . 1 . 2]" 1
284 1 47 ALA H 1 47 ALA MB . . 2.620 2.122 2.114 2.129 . 0 0 "[ . 1 . 2]" 1
285 1 67 ALA H 1 68 ALA H . . 3.290 2.707 2.650 2.770 . 0 0 "[ . 1 . 2]" 1
286 1 66 ASN HB2 1 67 ALA H . . 3.720 2.637 2.569 2.726 . 0 0 "[ . 1 . 2]" 1
287 1 62 LEU QD 1 67 ALA H . . 4.180 4.220 4.200 4.237 0.057 9 0 "[ . 1 . 2]" 1
288 1 18 LEU MD2 1 67 ALA H . . 3.840 3.760 3.416 3.871 0.031 15 0 "[ . 1 . 2]" 1
289 1 64 THR HA 1 67 ALA H . . 3.470 3.507 3.490 3.524 0.054 9 0 "[ . 1 . 2]" 1
290 1 67 ALA H 1 67 ALA MB . . 2.730 2.134 2.110 2.206 . 0 0 "[ . 1 . 2]" 1
291 1 46 GLN H 1 46 GLN HB2 . . 3.120 2.206 2.174 2.705 . 0 0 "[ . 1 . 2]" 1
292 1 45 ARG HB2 1 46 GLN H . . 3.700 3.002 2.711 3.137 . 0 0 "[ . 1 . 2]" 1
293 1 46 GLN H 1 46 GLN HB3 . . 3.390 3.491 3.481 3.576 0.186 3 0 "[ . 1 . 2]" 1
294 1 46 GLN H 1 46 GLN QG . . 3.310 2.903 2.112 3.379 0.069 13 0 "[ . 1 . 2]" 1
295 1 45 ARG H 1 46 GLN H . . 3.090 2.629 2.599 2.765 . 0 0 "[ . 1 . 2]" 1
296 1 43 PRO HA 1 46 GLN H . . 3.640 3.663 3.640 3.697 0.057 15 0 "[ . 1 . 2]" 1
297 1 93 PHE H 1 93 PHE HB2 . . 3.240 3.239 3.235 3.245 0.005 19 0 "[ . 1 . 2]" 1
298 1 37 ALA H 1 37 ALA MB . . 2.660 2.221 2.177 2.257 . 0 0 "[ . 1 . 2]" 1
299 1 42 THR H 1 42 THR HB . . 2.780 2.731 2.215 2.907 0.127 2 0 "[ . 1 . 2]" 1
300 1 41 THR HB 1 42 THR H . . 2.740 1.977 1.932 2.040 . 0 0 "[ . 1 . 2]" 1
301 1 42 THR H 1 43 PRO HD2 . . 3.100 1.905 1.895 1.935 . 0 0 "[ . 1 . 2]" 1
302 1 42 THR H 1 43 PRO HD3 . . 3.240 2.400 2.381 2.439 . 0 0 "[ . 1 . 2]" 1
303 1 10 ASP H 1 10 ASP HB3 . . 3.730 3.586 3.576 3.602 . 0 0 "[ . 1 . 2]" 1
304 1 9 SER QB 1 10 ASP H . . 3.240 2.561 2.304 3.334 0.094 14 0 "[ . 1 . 2]" 1
305 1 9 SER H 1 10 ASP H . . 3.400 2.755 2.724 2.786 . 0 0 "[ . 1 . 2]" 1
306 1 10 ASP H 1 10 ASP HB2 . . 3.290 2.789 2.742 2.842 . 0 0 "[ . 1 . 2]" 1
307 1 7 VAL HA 1 10 ASP H . . 4.100 3.803 3.717 4.119 0.019 14 0 "[ . 1 . 2]" 1
308 1 7 VAL H 1 7 VAL MG1 . . 4.090 3.776 3.774 3.782 . 0 0 "[ . 1 . 2]" 1
309 1 7 VAL H 1 8 THR H . . 3.310 2.530 2.483 2.571 . 0 0 "[ . 1 . 2]" 1
310 1 4 CYS HA 1 7 VAL H . . 3.740 3.250 3.106 3.467 . 0 0 "[ . 1 . 2]" 1
311 1 6 ALA MB 1 7 VAL H . . 3.170 2.861 2.766 2.925 . 0 0 "[ . 1 . 2]" 1
312 1 7 VAL H 1 7 VAL MG2 . . 2.680 1.999 1.920 2.285 . 0 0 "[ . 1 . 2]" 1
313 1 7 VAL H 1 7 VAL HB . . 3.140 2.610 2.533 2.671 . 0 0 "[ . 1 . 2]" 1
314 1 53 LYS HA 1 56 ALA H . . 4.170 3.845 3.777 3.900 . 0 0 "[ . 1 . 2]" 1
315 1 52 LEU MD2 1 56 ALA H . . 4.430 4.185 3.937 4.439 0.009 4 0 "[ . 1 . 2]" 1
316 1 56 ALA H 1 56 ALA MB . . 2.800 2.215 2.111 2.239 . 0 0 "[ . 1 . 2]" 1
317 1 55 ALA MB 1 56 ALA H . . 3.020 2.391 2.233 2.551 . 0 0 "[ . 1 . 2]" 1
318 1 38 ALA H 1 38 ALA MB . . 2.560 2.245 2.142 2.290 . 0 0 "[ . 1 . 2]" 1
319 1 37 ALA H 1 38 ALA H . . 3.300 2.458 2.397 2.489 . 0 0 "[ . 1 . 2]" 1
320 1 35 LEU HA 1 38 ALA H . . 3.770 3.609 3.446 3.733 . 0 0 "[ . 1 . 2]" 1
321 1 52 LEU H 1 52 LEU MD1 . . 3.780 3.791 3.778 3.809 0.029 14 0 "[ . 1 . 2]" 1
322 1 51 CYS HB3 1 52 LEU H . . 3.710 3.657 3.576 3.721 0.011 13 0 "[ . 1 . 2]" 1
323 1 51 CYS HB2 1 52 LEU H . . 3.550 2.947 2.757 3.207 . 0 0 "[ . 1 . 2]" 1
324 1 52 LEU H 1 53 LYS H . . 3.070 2.687 2.640 2.730 . 0 0 "[ . 1 . 2]" 1
325 1 52 LEU H 1 52 LEU HB2 . . 2.980 2.166 2.159 2.211 . 0 0 "[ . 1 . 2]" 1
326 1 52 LEU H 1 52 LEU HG . . 3.090 3.043 2.916 3.076 . 0 0 "[ . 1 . 2]" 1
327 1 52 LEU H 1 52 LEU HB3 . . 3.460 3.479 3.473 3.513 0.053 14 0 "[ . 1 . 2]" 1
328 1 59 ILE MG 1 62 LEU H . . 3.250 3.290 3.257 3.317 0.067 10 0 "[ . 1 . 2]" 1
329 1 62 LEU H 1 62 LEU QD . . 3.910 3.677 3.666 3.701 . 0 0 "[ . 1 . 2]" 1
330 1 62 LEU H 1 62 LEU HB3 . . 2.970 2.461 2.454 2.475 . 0 0 "[ . 1 . 2]" 1
331 1 61 LYS H 1 62 LEU H . . 3.520 2.826 2.760 2.894 . 0 0 "[ . 1 . 2]" 1
332 1 61 LYS HA 1 62 LEU H . . 3.230 2.672 2.580 2.745 . 0 0 "[ . 1 . 2]" 1
333 1 62 LEU H 1 62 LEU HB2 . . 3.000 2.553 2.538 2.561 . 0 0 "[ . 1 . 2]" 1
334 1 16 THR MG 1 21 GLY H . . 4.170 3.944 3.635 4.128 . 0 0 "[ . 1 . 2]" 1
335 1 17 TYR HA 1 21 GLY H . . 3.080 3.037 2.804 3.141 0.061 7 0 "[ . 1 . 2]" 1
336 1 64 THR H 1 65 ASN H . . 3.340 2.764 2.738 2.778 . 0 0 "[ . 1 . 2]" 1
337 1 63 ASN HA 1 64 THR H . . 2.820 2.171 2.164 2.182 . 0 0 "[ . 1 . 2]" 1
338 1 64 THR H 1 64 THR MG . . 3.070 2.520 2.448 2.563 . 0 0 "[ . 1 . 2]" 1
339 1 64 THR H 1 64 THR HB . . 3.690 3.605 3.599 3.612 . 0 0 "[ . 1 . 2]" 1
340 1 91 VAL H 1 91 VAL HB . . 3.100 2.528 2.483 2.928 . 0 0 "[ . 1 . 2]" 1
341 1 90 THR HA 1 91 VAL H . . 3.370 2.946 2.489 3.431 0.061 9 0 "[ . 1 . 2]" 1
342 1 91 VAL H 1 91 VAL MG2 . . 3.110 2.387 2.195 2.912 . 0 0 "[ . 1 . 2]" 1
343 1 91 VAL H 1 91 VAL MG1 . . 4.060 3.791 3.767 3.971 . 0 0 "[ . 1 . 2]" 1
344 1 48 ALA H 1 49 CYS H . . 3.620 2.875 2.811 2.951 . 0 0 "[ . 1 . 2]" 1
345 1 49 CYS H 1 49 CYS HB2 . . 3.620 2.264 2.240 2.349 . 0 0 "[ . 1 . 2]" 1
346 1 49 CYS H 1 50 ASN H . . 3.320 2.860 2.817 2.932 . 0 0 "[ . 1 . 2]" 1
347 1 49 CYS H 1 49 CYS HB3 . . 3.630 3.539 3.528 3.571 . 0 0 "[ . 1 . 2]" 1
348 1 48 ALA MB 1 49 CYS H . . 3.260 2.257 2.145 2.290 . 0 0 "[ . 1 . 2]" 1
349 1 78 ILE H 1 78 ILE HB . . 3.860 3.672 3.646 3.681 . 0 0 "[ . 1 . 2]" 1
350 1 78 ILE H 1 78 ILE HG13 . . 3.620 3.589 3.561 3.604 . 0 0 "[ . 1 . 2]" 1
351 1 78 ILE H 1 78 ILE HG12 . . 3.490 2.159 2.024 2.206 . 0 0 "[ . 1 . 2]" 1
352 1 77 ASN HA 1 78 ILE H . . 2.820 2.325 2.191 2.594 . 0 0 "[ . 1 . 2]" 1
353 1 59 ILE MG 1 60 THR H . . 3.650 3.004 2.848 3.291 . 0 0 "[ . 1 . 2]" 1
354 1 59 ILE HA 1 60 THR H . . 2.740 2.149 2.138 2.195 . 0 0 "[ . 1 . 2]" 1
355 1 39 ALA MB 1 45 ARG H . . 3.990 2.833 2.527 3.348 . 0 0 "[ . 1 . 2]" 1
356 1 44 ASP HB3 1 45 ARG H . . 4.140 3.229 3.036 3.789 . 0 0 "[ . 1 . 2]" 1
357 1 45 ARG H 1 45 ARG HB3 . . 3.720 3.530 3.493 3.585 . 0 0 "[ . 1 . 2]" 1
358 1 45 ARG H 1 45 ARG HB2 . . 3.320 2.265 2.186 2.456 . 0 0 "[ . 1 . 2]" 1
359 1 42 THR HA 1 45 ARG H . . 3.830 3.513 3.437 3.554 . 0 0 "[ . 1 . 2]" 1
360 1 44 ASP HB2 1 45 ARG H . . 3.730 2.732 2.475 2.838 . 0 0 "[ . 1 . 2]" 1
361 1 77 ASN H 1 77 ASN HB2 . . 3.520 3.101 2.223 3.606 0.086 7 0 "[ . 1 . 2]" 1
362 1 76 VAL HA 1 77 ASN H . . 3.030 2.258 2.141 2.329 . 0 0 "[ . 1 . 2]" 1
363 1 76 VAL MG2 1 77 ASN H . . 3.990 3.157 2.235 3.529 . 0 0 "[ . 1 . 2]" 1
364 1 77 ASN H 1 77 ASN HB3 . . 3.530 3.104 2.616 3.633 0.103 17 0 "[ . 1 . 2]" 1
365 1 76 VAL MG1 1 77 ASN H . . 4.090 4.070 3.707 4.190 0.100 17 0 "[ . 1 . 2]" 1
366 1 84 THR H 1 84 THR HB . . 3.940 3.341 2.730 3.643 . 0 0 "[ . 1 . 2]" 1
367 1 84 THR H 1 85 THR H . . 3.270 2.552 2.501 2.600 . 0 0 "[ . 1 . 2]" 1
368 1 83 SER HA 1 84 THR H . . 2.830 2.526 2.319 2.697 . 0 0 "[ . 1 . 2]" 1
369 1 83 SER HB2 1 84 THR H . . 3.590 3.032 1.949 3.633 0.043 9 0 "[ . 1 . 2]" 1
370 1 84 THR H 1 84 THR MG . . 3.120 2.477 1.934 2.919 . 0 0 "[ . 1 . 2]" 1
371 1 84 THR H 1 85 THR MG . . 3.860 3.721 3.548 3.862 0.002 5 0 "[ . 1 . 2]" 1
372 1 57 GLY H 1 58 SER H . . 2.740 2.674 2.578 2.719 . 0 0 "[ . 1 . 2]" 1
373 1 54 SER HA 1 57 GLY H . . 3.720 3.568 3.425 3.655 . 0 0 "[ . 1 . 2]" 1
374 1 56 ALA MB 1 57 GLY H . . 3.310 3.012 2.863 3.069 . 0 0 "[ . 1 . 2]" 1
375 1 57 GLY H 1 57 GLY QA . . 2.710 2.199 2.195 2.210 . 0 0 "[ . 1 . 2]" 1
376 1 25 SER H 1 25 SER HG . . 3.830 3.218 1.978 3.798 . 0 0 "[ . 1 . 2]" 1
377 1 25 SER H 1 28 CYS HB3 . . 3.180 3.064 3.003 3.218 0.038 14 0 "[ . 1 . 2]" 1
378 1 24 PRO HA 1 25 SER H . . 2.770 2.172 2.156 2.213 . 0 0 "[ . 1 . 2]" 1
379 1 25 SER H 1 25 SER HB3 . . 2.950 2.745 2.197 2.986 0.036 14 0 "[ . 1 . 2]" 1
380 1 23 GLY HA2 1 25 SER H . . 3.660 3.112 2.901 3.335 . 0 0 "[ . 1 . 2]" 1
381 1 40 ASN H 1 41 THR H . . 3.050 2.187 1.899 2.418 . 0 0 "[ . 1 . 2]" 1
382 1 40 ASN H 1 40 ASN QB . . 3.110 2.485 2.216 3.095 . 0 0 "[ . 1 . 2]" 1
383 1 39 ALA HA 1 40 ASN H . . 2.770 2.231 2.143 2.355 . 0 0 "[ . 1 . 2]" 1
384 1 87 ASN HA 1 89 ASN H . . 4.380 3.350 3.161 3.767 . 0 0 "[ . 1 . 2]" 1
385 1 89 ASN H 1 89 ASN QB . . 3.140 2.397 2.178 2.674 . 0 0 "[ . 1 . 2]" 1
386 1 50 ASN HB3 1 50 ASN HD21 . . 3.280 2.927 2.875 3.019 . 0 0 "[ . 1 . 2]" 1
387 1 50 ASN HB2 1 50 ASN HD21 . . 3.110 2.226 2.174 2.260 . 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 182
_Distance_constraint_stats_list.Viol_count 747
_Distance_constraint_stats_list.Viol_total 1624.307
_Distance_constraint_stats_list.Viol_max 1.585
_Distance_constraint_stats_list.Viol_rms 0.1248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0223
_Distance_constraint_stats_list.Viol_average_violations_only 0.1087
_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 2 ILE 2.437 0.127 4 0 "[ . 1 . 2]"
1 3 SER 21.499 1.283 17 20 [*************-**+***]
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 22.452 1.283 17 20 [*************-**+***]
1 7 VAL 2.729 0.108 14 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.738 0.088 12 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 25.104 1.585 12 20 [***********+*-******]
1 12 SER 4.044 0.243 15 0 "[ . 1 . 2]"
1 13 PRO 0.759 0.132 14 0 "[ . 1 . 2]"
1 14 CYS 0.268 0.268 14 0 "[ . 1 . 2]"
1 15 LEU 4.135 0.243 15 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 1.730 0.112 14 0 "[ . 1 . 2]"
1 18 LEU 0.705 0.066 3 0 "[ . 1 . 2]"
1 19 THR 0.975 0.074 18 0 "[ . 1 . 2]"
1 21 GLY 0.276 0.040 4 0 "[ . 1 . 2]"
1 22 PRO 0.276 0.040 4 0 "[ . 1 . 2]"
1 23 GLY 2.176 0.138 3 0 "[ . 1 . 2]"
1 24 PRO 4.347 0.147 2 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PRO 0.029 0.024 13 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 1.027 0.268 14 0 "[ . 1 . 2]"
1 29 CYS 0.029 0.024 13 0 "[ . 1 . 2]"
1 30 GLY 0.951 0.113 16 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 25.577 1.585 12 20 [***********+*-******]
1 33 LYS 1.107 0.113 16 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 2.059 0.115 14 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.005 0.005 14 0 "[ . 1 . 2]"
1 39 ALA 0.006 0.006 13 0 "[ . 1 . 2]"
1 41 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.335 0.074 15 0 "[ . 1 . 2]"
1 45 ARG 0.396 0.073 15 0 "[ . 1 . 2]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 1.360 0.074 15 0 "[ . 1 . 2]"
1 48 ALA 1.705 0.076 9 0 "[ . 1 . 2]"
1 50 ASN 0.357 0.032 15 0 "[ . 1 . 2]"
1 51 CYS 1.026 0.089 9 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 1.716 0.106 6 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 2.396 0.150 16 0 "[ . 1 . 2]"
1 57 GLY 0.175 0.031 16 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 2.361 0.150 16 0 "[ . 1 . 2]"
1 60 THR 2.651 0.136 16 0 "[ . 1 . 2]"
1 62 LEU 1.730 0.119 14 0 "[ . 1 . 2]"
1 64 THR 1.568 0.119 14 0 "[ . 1 . 2]"
1 65 ASN 0.809 0.057 14 0 "[ . 1 . 2]"
1 67 ALA 0.596 0.062 14 0 "[ . 1 . 2]"
1 68 ALA 0.809 0.057 14 0 "[ . 1 . 2]"
1 69 ALA 0.839 0.137 6 0 "[ . 1 . 2]"
1 70 LEU 3.559 0.147 2 0 "[ . 1 . 2]"
1 71 PRO 1.043 0.088 13 0 "[ . 1 . 2]"
1 73 LYS 1.877 0.180 6 0 "[ . 1 . 2]"
1 74 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.969 0.088 13 0 "[ . 1 . 2]"
1 78 ILE 0.121 0.077 16 0 "[ . 1 . 2]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 0.402 0.119 15 0 "[ . 1 . 2]"
1 82 ILE 0.695 0.077 16 0 "[ . 1 . 2]"
1 84 THR 0.307 0.031 16 0 "[ . 1 . 2]"
1 86 THR 1.404 0.119 15 0 "[ . 1 . 2]"
1 88 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.052 0.018 11 0 "[ . 1 . 2]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PHE 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 93 PHE HA 1 93 PHE QD . . 3.240 2.830 2.266 3.038 . 0 0 "[ . 1 . 2]" 2
2 1 91 VAL HA 1 91 VAL MG1 . . 3.080 2.343 2.214 2.404 . 0 0 "[ . 1 . 2]" 2
3 1 91 VAL HA 1 91 VAL MG2 . . 3.060 2.408 2.367 2.432 . 0 0 "[ . 1 . 2]" 2
4 1 90 THR HA 1 90 THR MG . . 2.430 2.168 1.999 2.272 . 0 0 "[ . 1 . 2]" 2
5 1 80 TYR HB2 1 86 THR MG . . 3.170 3.113 2.656 3.289 0.119 15 0 "[ . 1 . 2]" 2
6 1 33 LYS HA 1 33 LYS HG2 . . 2.940 2.519 2.493 2.606 . 0 0 "[ . 1 . 2]" 2
7 1 33 LYS HA 1 33 LYS HG3 . . 3.140 2.759 2.712 2.796 . 0 0 "[ . 1 . 2]" 2
8 1 33 LYS HA 1 76 VAL MG2 . . 3.380 2.303 1.919 2.725 . 0 0 "[ . 1 . 2]" 2
9 1 33 LYS HA 1 33 LYS QB . . 2.670 2.459 2.446 2.476 . 0 0 "[ . 1 . 2]" 2
10 1 14 CYS HB3 1 18 LEU MD1 . . 3.210 2.748 2.644 3.006 . 0 0 "[ . 1 . 2]" 2
11 1 13 PRO HG2 1 28 CYS HA . . 3.290 2.396 2.253 2.492 . 0 0 "[ . 1 . 2]" 2
12 1 70 LEU HB3 1 71 PRO HD2 . . 2.980 2.472 2.449 2.509 . 0 0 "[ . 1 . 2]" 2
13 1 69 ALA MB 1 73 LYS HE3 . . 3.030 2.963 1.951 3.102 0.072 12 0 "[ . 1 . 2]" 2
14 1 42 THR HB 1 43 PRO HD3 . . 2.750 1.842 1.828 1.848 . 0 0 "[ . 1 . 2]" 2
15 1 88 CYS HA 1 91 VAL MG2 . . 3.110 2.036 1.895 3.035 . 0 0 "[ . 1 . 2]" 2
16 1 12 SER HA 1 15 LEU MD1 . . 3.270 2.506 2.297 2.708 . 0 0 "[ . 1 . 2]" 2
17 1 78 ILE HA 1 78 ILE MG . . 2.940 2.277 2.232 2.293 . 0 0 "[ . 1 . 2]" 2
18 1 32 VAL QG 1 70 LEU MD1 . . 2.600 2.076 1.882 2.212 . 0 0 "[ . 1 . 2]" 2
19 1 32 VAL HA 1 32 VAL QG . . 2.770 2.076 2.061 2.141 . 0 0 "[ . 1 . 2]" 2
20 1 25 SER HA 1 26 PRO QD . . 2.550 2.187 2.176 2.195 . 0 0 "[ . 1 . 2]" 2
21 1 25 SER HB2 1 26 PRO QD . . 2.830 1.878 1.811 1.930 . 0 0 "[ . 1 . 2]" 2
22 1 53 LYS HD3 1 86 THR MG . . 3.130 3.183 3.151 3.236 0.106 6 0 "[ . 1 . 2]" 2
23 1 86 THR HA 1 86 THR MG . . 2.990 2.387 2.355 2.442 . 0 0 "[ . 1 . 2]" 2
24 1 65 ASN HA 1 68 ALA MB . . 2.970 3.010 2.980 3.027 0.057 14 0 "[ . 1 . 2]" 2
25 1 78 ILE HG13 1 82 ILE MD . . 3.290 2.416 1.931 3.367 0.077 16 0 "[ . 1 . 2]" 2
26 1 21 GLY HA3 1 22 PRO HD2 . . 2.800 2.080 2.053 2.128 . 0 0 "[ . 1 . 2]" 2
27 1 53 LYS HG2 1 84 THR HA . . 3.130 3.034 2.578 3.153 0.023 12 0 "[ . 1 . 2]" 2
28 1 46 GLN HE21 1 46 GLN QG . . 3.170 2.271 2.093 2.656 . 0 0 "[ . 1 . 2]" 2
29 1 21 GLY HA2 1 22 PRO HD2 . . 3.120 3.013 2.947 3.052 . 0 0 "[ . 1 . 2]" 2
30 1 21 GLY HA2 1 22 PRO HD3 . . 2.720 2.723 2.661 2.760 0.040 4 0 "[ . 1 . 2]" 2
31 1 35 LEU HA 1 35 LEU MD2 . . 3.070 3.118 3.083 3.185 0.115 14 0 "[ . 1 . 2]" 2
32 1 35 LEU HA 1 35 LEU HB2 . . 2.770 2.522 2.481 2.535 . 0 0 "[ . 1 . 2]" 2
33 1 15 LEU HA 1 18 LEU MD1 . . 3.040 2.976 2.876 3.085 0.045 14 0 "[ . 1 . 2]" 2
34 1 15 LEU HA 1 15 LEU MD2 . . 2.860 2.058 1.976 2.119 . 0 0 "[ . 1 . 2]" 2
35 1 74 CYS HB2 1 76 VAL MG1 . . 3.130 2.310 1.975 2.498 . 0 0 "[ . 1 . 2]" 2
36 1 71 PRO HB3 1 76 VAL MG1 . . 3.290 3.173 2.466 3.378 0.088 13 0 "[ . 1 . 2]" 2
37 1 74 CYS HB3 1 76 VAL MG1 . . 3.350 2.402 2.036 3.133 . 0 0 "[ . 1 . 2]" 2
38 1 76 VAL HA 1 76 VAL MG1 . . 3.330 3.190 3.183 3.204 . 0 0 "[ . 1 . 2]" 2
39 1 71 PRO HA 1 76 VAL MG1 . . 2.840 2.186 2.022 2.458 . 0 0 "[ . 1 . 2]" 2
40 1 35 LEU HA 1 38 ALA MB . . 3.100 2.832 2.485 3.087 . 0 0 "[ . 1 . 2]" 2
41 1 78 ILE HA 1 79 PRO HD2 . . 2.850 2.432 2.333 2.495 . 0 0 "[ . 1 . 2]" 2
42 1 25 SER HA 1 25 SER HB2 . . 2.910 2.565 2.293 2.684 . 0 0 "[ . 1 . 2]" 2
43 1 64 THR HA 1 67 ALA MB . . 2.810 2.464 2.354 2.664 . 0 0 "[ . 1 . 2]" 2
44 1 67 ALA MB 1 82 ILE HB . . 3.250 2.479 1.973 3.283 0.033 11 0 "[ . 1 . 2]" 2
45 1 52 LEU HB2 1 52 LEU MD1 . . 3.290 2.291 2.250 2.349 . 0 0 "[ . 1 . 2]" 2
46 1 70 LEU HA 1 70 LEU MD1 . . 2.810 2.320 2.280 2.460 . 0 0 "[ . 1 . 2]" 2
47 1 24 PRO HB3 1 70 LEU MD1 . . 2.900 2.312 2.032 2.460 . 0 0 "[ . 1 . 2]" 2
48 1 24 PRO HB2 1 70 LEU MD1 . . 3.200 2.787 2.376 2.915 . 0 0 "[ . 1 . 2]" 2
49 1 24 PRO HG3 1 70 LEU MD1 . . 3.110 3.219 3.133 3.257 0.147 2 0 "[ . 1 . 2]" 2
50 1 70 LEU HB2 1 70 LEU MD1 . . 3.020 2.418 2.306 2.445 . 0 0 "[ . 1 . 2]" 2
51 1 17 TYR QE 1 70 LEU MD1 . . 3.410 3.479 3.425 3.522 0.112 14 0 "[ . 1 . 2]" 2
52 1 36 LEU HB2 1 36 LEU MD1 . . 3.060 2.180 1.954 2.367 . 0 0 "[ . 1 . 2]" 2
53 1 36 LEU HB3 1 36 LEU MD1 . . 3.120 2.530 2.313 2.783 . 0 0 "[ . 1 . 2]" 2
54 1 2 ILE MD 1 38 ALA MB . . 3.000 2.591 2.402 3.005 0.005 14 0 "[ . 1 . 2]" 2
55 1 2 ILE HB 1 2 ILE MD . . 3.280 2.181 2.154 2.192 . 0 0 "[ . 1 . 2]" 2
56 1 2 ILE MD 1 48 ALA MB . . 3.260 3.294 3.271 3.336 0.076 9 0 "[ . 1 . 2]" 2
57 1 2 ILE MD 1 39 ALA MB . . 3.060 1.921 1.832 2.148 . 0 0 "[ . 1 . 2]" 2
58 1 27 GLN HB3 1 27 GLN HG3 . . 3.000 2.936 2.692 2.999 . 0 0 "[ . 1 . 2]" 2
59 1 6 ALA HA 1 9 SER QB . . 2.590 2.618 2.478 2.678 0.088 12 0 "[ . 1 . 2]" 2
60 1 34 LYS HB2 1 34 LYS HG2 . . 2.990 2.773 2.532 2.973 . 0 0 "[ . 1 . 2]" 2
61 1 44 ASP HA 1 47 ALA MB . . 3.000 3.016 2.989 3.074 0.074 15 0 "[ . 1 . 2]" 2
62 1 2 ILE MG 1 47 ALA MB . . 2.860 2.893 2.877 2.916 0.056 19 0 "[ . 1 . 2]" 2
63 1 2 ILE HB 1 47 ALA MB . . 3.220 2.774 2.399 3.134 . 0 0 "[ . 1 . 2]" 2
64 1 11 LEU HB2 1 11 LEU HG . . 2.700 2.564 2.470 2.643 . 0 0 "[ . 1 . 2]" 2
65 1 11 LEU HB2 1 11 LEU QD . . 3.080 2.203 2.050 2.308 . 0 0 "[ . 1 . 2]" 2
66 1 18 LEU HB2 1 18 LEU MD1 . . 3.090 2.267 2.228 2.372 . 0 0 "[ . 1 . 2]" 2
67 1 26 PRO HA 1 29 CYS HB2 . . 3.160 3.084 2.923 3.184 0.024 13 0 "[ . 1 . 2]" 2
68 1 52 LEU HA 1 55 ALA MB . . 2.930 2.231 2.105 2.372 . 0 0 "[ . 1 . 2]" 2
69 1 13 PRO HB2 1 28 CYS HA . . 2.970 2.831 2.653 3.102 0.132 14 0 "[ . 1 . 2]" 2
70 1 13 PRO HG3 1 28 CYS HA . . 3.380 3.362 2.398 3.438 0.058 16 0 "[ . 1 . 2]" 2
71 1 60 THR HA 1 60 THR MG . . 3.050 3.183 3.179 3.186 0.136 16 0 "[ . 1 . 2]" 2
72 1 53 LYS HA 1 56 ALA MB . . 3.280 3.306 3.292 3.335 0.055 14 0 "[ . 1 . 2]" 2
73 1 69 ALA MB 1 73 LYS HE2 . . 3.200 2.993 1.978 3.337 0.137 6 0 "[ . 1 . 2]" 2
74 1 2 ILE MG 1 48 ALA MB . . 3.080 2.036 1.833 2.572 . 0 0 "[ . 1 . 2]" 2
75 1 2 ILE HG13 1 2 ILE MG . . 2.740 2.690 2.670 2.699 . 0 0 "[ . 1 . 2]" 2
76 1 2 ILE MG 1 7 VAL MG2 . . 2.740 2.082 1.964 2.332 . 0 0 "[ . 1 . 2]" 2
77 1 41 THR HB 1 43 PRO HD2 . . 2.910 2.049 1.942 2.109 . 0 0 "[ . 1 . 2]" 2
78 1 56 ALA HA 1 59 ILE HG13 . . 3.370 2.212 1.979 2.447 . 0 0 "[ . 1 . 2]" 2
79 1 56 ALA HA 1 59 ILE MD . . 3.210 2.641 2.191 3.129 . 0 0 "[ . 1 . 2]" 2
80 1 75 GLY H 1 75 GLY HA2 . . 2.910 2.304 2.296 2.332 . 0 0 "[ . 1 . 2]" 2
81 1 32 VAL QG 1 76 VAL MG1 . . 4.000 2.155 1.973 2.328 . 0 0 "[ . 1 . 2]" 2
82 1 29 CYS HA 1 32 VAL QG . . 3.290 2.427 2.276 2.894 . 0 0 "[ . 1 . 2]" 2
83 1 19 THR HA 1 19 THR MG . . 2.840 2.057 2.024 2.091 . 0 0 "[ . 1 . 2]" 2
84 1 82 ILE HA 1 82 ILE MG . . 3.030 2.298 2.192 2.393 . 0 0 "[ . 1 . 2]" 2
85 1 67 ALA MB 1 82 ILE MG . . 3.000 2.803 2.114 3.017 0.017 11 0 "[ . 1 . 2]" 2
86 1 56 ALA MB 1 82 ILE MG . . 2.940 2.957 2.837 3.007 0.067 9 0 "[ . 1 . 2]" 2
87 1 2 ILE HA 1 2 ILE MD . . 3.220 3.274 3.256 3.347 0.127 4 0 "[ . 1 . 2]" 2
88 1 2 ILE HA 1 2 ILE MG . . 3.220 2.328 2.274 2.357 . 0 0 "[ . 1 . 2]" 2
89 1 2 ILE HA 1 2 ILE HG13 . . 3.340 2.325 2.310 2.375 . 0 0 "[ . 1 . 2]" 2
90 1 92 LYS HA 1 93 PHE H . . 2.810 2.158 2.141 2.246 . 0 0 "[ . 1 . 2]" 2
91 1 42 THR MG 1 46 GLN QG . . 3.360 2.732 2.232 3.356 . 0 0 "[ . 1 . 2]" 2
92 1 42 THR HA 1 42 THR MG . . 3.000 2.256 2.016 2.673 . 0 0 "[ . 1 . 2]" 2
93 1 12 SER QB 1 13 PRO HD2 . . 2.910 2.483 2.434 2.693 . 0 0 "[ . 1 . 2]" 2
94 1 32 VAL QG 1 70 LEU HG . . 3.140 2.785 2.712 2.858 . 0 0 "[ . 1 . 2]" 2
95 1 41 THR HA 1 41 THR HB . . 2.930 2.404 2.390 2.441 . 0 0 "[ . 1 . 2]" 2
96 1 78 ILE MD 1 78 ILE MG . . 2.610 1.858 1.833 1.871 . 0 0 "[ . 1 . 2]" 2
97 1 31 GLY HA2 1 34 LYS HB3 . . 3.350 2.854 2.664 3.225 . 0 0 "[ . 1 . 2]" 2
98 1 33 LYS HG2 1 76 VAL MG2 . . 3.000 2.200 1.975 2.612 . 0 0 "[ . 1 . 2]" 2
99 1 33 LYS HG3 1 76 VAL MG2 . . 3.070 2.869 2.549 3.104 0.034 14 0 "[ . 1 . 2]" 2
100 1 33 LYS QE 1 76 VAL MG2 . . 3.330 3.250 3.147 3.381 0.051 14 0 "[ . 1 . 2]" 2
101 1 76 VAL HA 1 76 VAL MG2 . . 3.030 2.344 2.216 2.402 . 0 0 "[ . 1 . 2]" 2
102 1 7 VAL HA 1 7 VAL MG1 . . 2.870 2.290 2.236 2.353 . 0 0 "[ . 1 . 2]" 2
103 1 7 VAL MG1 1 51 CYS HB3 . . 3.120 2.747 2.527 2.953 . 0 0 "[ . 1 . 2]" 2
104 1 7 VAL MG1 1 48 ALA MB . . 3.060 3.091 3.057 3.129 0.069 19 0 "[ . 1 . 2]" 2
105 1 23 GLY HA3 1 24 PRO HA . . 3.050 2.040 2.020 2.075 . 0 0 "[ . 1 . 2]" 2
106 1 17 TYR HB2 1 24 PRO HA . . 3.400 2.766 2.529 3.255 . 0 0 "[ . 1 . 2]" 2
107 1 2 ILE MG 1 48 ALA HA . . 3.330 2.383 2.165 3.109 . 0 0 "[ . 1 . 2]" 2
108 1 7 VAL MG2 1 48 ALA HA . . 3.360 2.261 1.953 2.493 . 0 0 "[ . 1 . 2]" 2
109 1 65 ASN HA 1 65 ASN HB3 . . 2.900 2.585 2.505 2.673 . 0 0 "[ . 1 . 2]" 2
110 1 23 GLY HA2 1 24 PRO HA . . 2.880 2.989 2.941 3.018 0.138 3 0 "[ . 1 . 2]" 2
111 1 10 ASP HA 1 10 ASP HB3 . . 2.760 2.331 2.311 2.347 . 0 0 "[ . 1 . 2]" 2
112 1 70 LEU HB3 1 70 LEU MD2 . . 3.210 2.348 2.251 2.423 . 0 0 "[ . 1 . 2]" 2
113 1 18 LEU HB3 1 59 ILE MD . . 3.330 2.438 1.951 3.242 . 0 0 "[ . 1 . 2]" 2
114 1 36 LEU HA 1 36 LEU MD2 . . 2.780 2.393 2.145 2.760 . 0 0 "[ . 1 . 2]" 2
115 1 36 LEU HB3 1 36 LEU MD2 . . 2.960 2.197 1.977 2.435 . 0 0 "[ . 1 . 2]" 2
116 1 62 LEU QD 1 67 ALA MB . . 2.650 2.618 2.440 2.687 0.037 14 0 "[ . 1 . 2]" 2
117 1 62 LEU QD 1 64 THR MG . . 2.460 2.538 2.490 2.579 0.119 14 0 "[ . 1 . 2]" 2
118 1 73 LYS HA 1 73 LYS QD . . 3.040 3.090 3.020 3.220 0.180 6 0 "[ . 1 . 2]" 2
119 1 80 TYR QD 1 91 VAL MG1 . . 3.330 2.983 2.214 3.348 0.018 11 0 "[ . 1 . 2]" 2
120 1 56 ALA MB 1 59 ILE HG13 . . 2.980 3.051 2.994 3.130 0.150 16 0 "[ . 1 . 2]" 2
121 1 34 LYS HA 1 37 ALA MB . . 2.870 2.415 2.216 2.616 . 0 0 "[ . 1 . 2]" 2
122 1 34 LYS HA 1 34 LYS HB2 . . 2.750 2.601 2.553 2.648 . 0 0 "[ . 1 . 2]" 2
123 1 34 LYS H 1 34 LYS HA . . 2.920 2.856 2.833 2.866 . 0 0 "[ . 1 . 2]" 2
124 1 15 LEU MD2 1 19 THR MG . . 3.080 2.846 2.746 3.114 0.034 14 0 "[ . 1 . 2]" 2
125 1 3 SER QB 1 6 ALA MB . . 3.210 4.285 3.958 4.493 1.283 17 20 [*************-**+***] 2
126 1 41 THR HA 1 41 THR MG . . 2.860 2.387 2.333 2.469 . 0 0 "[ . 1 . 2]" 2
127 1 70 LEU HB3 1 71 PRO HD3 . . 3.090 1.923 1.904 1.963 . 0 0 "[ . 1 . 2]" 2
128 1 18 LEU MD2 1 67 ALA MB . . 2.530 2.426 1.901 2.592 0.062 14 0 "[ . 1 . 2]" 2
129 1 18 LEU HA 1 18 LEU MD2 . . 2.620 2.006 1.954 2.123 . 0 0 "[ . 1 . 2]" 2
130 1 64 THR HA 1 64 THR MG . . 2.830 2.168 2.149 2.192 . 0 0 "[ . 1 . 2]" 2
131 1 64 THR HA 1 64 THR HB . . 2.890 2.551 2.520 2.565 . 0 0 "[ . 1 . 2]" 2
132 1 46 GLN HA 1 46 GLN QG . . 3.200 2.269 2.118 2.668 . 0 0 "[ . 1 . 2]" 2
133 1 18 LEU MD2 1 67 ALA HA . . 2.720 2.153 1.911 2.325 . 0 0 "[ . 1 . 2]" 2
134 1 18 LEU H 1 18 LEU HB3 . . 3.960 3.517 3.486 3.596 . 0 0 "[ . 1 . 2]" 2
135 1 14 CYS HA 1 14 CYS HB3 . . 2.860 2.602 2.590 2.712 . 0 0 "[ . 1 . 2]" 2
136 1 14 CYS HA 1 28 CYS HB2 . . 3.070 2.542 2.349 3.338 0.268 14 0 "[ . 1 . 2]" 2
137 1 71 PRO HA 1 74 CYS HB2 . . 3.430 2.709 2.328 3.398 . 0 0 "[ . 1 . 2]" 2
138 1 32 VAL QG 1 71 PRO HA . . 3.210 3.154 2.929 3.292 0.082 12 0 "[ . 1 . 2]" 2
139 1 11 LEU QD 1 55 ALA MB . . 3.280 1.796 1.690 1.892 . 0 0 "[ . 1 . 2]" 2
140 1 11 LEU QD 1 32 VAL QG . . 3.370 4.625 4.318 4.955 1.585 12 20 [***********+*-******] 2
141 1 11 LEU HA 1 11 LEU QD . . 3.120 2.310 2.086 2.553 . 0 0 "[ . 1 . 2]" 2
142 1 45 ARG HA 1 48 ALA MB . . 3.010 3.029 2.997 3.083 0.073 15 0 "[ . 1 . 2]" 2
143 1 39 ALA MB 1 45 ARG HA . . 3.090 2.543 2.209 3.096 0.006 13 0 "[ . 1 . 2]" 2
144 1 16 THR HA 1 16 THR MG . . 2.960 2.272 2.153 2.390 . 0 0 "[ . 1 . 2]" 2
145 1 16 THR MG 1 22 PRO HD2 . . 3.110 2.505 1.963 2.759 . 0 0 "[ . 1 . 2]" 2
146 1 16 THR MG 1 21 GLY HA3 . . 3.150 2.798 2.258 3.062 . 0 0 "[ . 1 . 2]" 2
147 1 35 LEU HB3 1 35 LEU MD2 . . 3.410 2.119 2.095 2.183 . 0 0 "[ . 1 . 2]" 2
148 1 32 VAL HA 1 35 LEU HB3 . . 3.490 3.492 3.374 3.542 0.052 14 0 "[ . 1 . 2]" 2
149 1 17 TYR HB2 1 18 LEU H . . 3.870 3.868 3.750 3.936 0.066 3 0 "[ . 1 . 2]" 2
150 1 17 TYR H 1 17 TYR HB2 . . 3.190 2.605 2.531 2.702 . 0 0 "[ . 1 . 2]" 2
151 1 17 TYR HA 1 17 TYR HB2 . . 2.990 2.507 2.460 2.551 . 0 0 "[ . 1 . 2]" 2
152 1 25 SER HA 1 25 SER HB3 . . 2.870 2.404 2.287 2.675 . 0 0 "[ . 1 . 2]" 2
153 1 27 GLN HA 1 27 GLN HB3 . . 2.800 2.595 2.488 2.667 . 0 0 "[ . 1 . 2]" 2
154 1 27 GLN HA 1 27 GLN HG3 . . 2.860 2.484 2.137 2.811 . 0 0 "[ . 1 . 2]" 2
155 1 60 THR H 1 60 THR MG . . 3.280 2.031 1.968 2.087 . 0 0 "[ . 1 . 2]" 2
156 1 30 GLY H 1 30 GLY HA2 . . 2.860 2.773 2.757 2.813 . 0 0 "[ . 1 . 2]" 2
157 1 30 GLY HA2 1 33 LYS QB . . 3.340 3.388 3.342 3.453 0.113 16 0 "[ . 1 . 2]" 2
158 1 12 SER HA 1 15 LEU HG . . 3.070 3.234 2.305 3.313 0.243 15 0 "[ . 1 . 2]" 2
159 1 52 LEU HB3 1 52 LEU MD2 . . 2.920 2.282 2.239 2.353 . 0 0 "[ . 1 . 2]" 2
160 1 52 LEU HA 1 52 LEU MD2 . . 2.710 2.111 1.963 2.200 . 0 0 "[ . 1 . 2]" 2
161 1 8 THR HA 1 8 THR MG . . 2.970 2.185 2.068 2.273 . 0 0 "[ . 1 . 2]" 2
162 1 35 LEU MD2 1 48 ALA MB . . 2.870 1.891 1.802 2.116 . 0 0 "[ . 1 . 2]" 2
163 1 43 PRO HB2 1 44 ASP H . . 4.250 2.361 2.233 2.655 . 0 0 "[ . 1 . 2]" 2
164 1 57 GLY QA 1 58 SER H . . 3.260 2.881 2.839 2.909 . 0 0 "[ . 1 . 2]" 2
165 1 35 LEU HB2 1 35 LEU MD2 . . 3.370 3.153 3.150 3.159 . 0 0 "[ . 1 . 2]" 2
166 1 7 VAL MG2 1 35 LEU HB2 . . 4.230 4.273 4.242 4.338 0.108 14 0 "[ . 1 . 2]" 2
167 1 47 ALA HA 1 50 ASN HB2 . . 3.120 3.112 2.922 3.151 0.031 15 0 "[ . 1 . 2]" 2
168 1 47 ALA HA 1 50 ASN HD22 . . 3.210 3.215 3.177 3.242 0.032 15 0 "[ . 1 . 2]" 2
169 1 7 VAL HA 1 7 VAL MG2 . . 2.620 2.464 2.314 2.501 . 0 0 "[ . 1 . 2]" 2
170 1 7 VAL MG2 1 51 CYS HB2 . . 3.280 2.482 2.350 2.771 . 0 0 "[ . 1 . 2]" 2
171 1 4 CYS HA 1 7 VAL MG2 . . 3.210 2.495 2.257 2.715 . 0 0 "[ . 1 . 2]" 2
172 1 7 VAL MG2 1 51 CYS HB3 . . 3.150 3.201 3.176 3.239 0.089 9 0 "[ . 1 . 2]" 2
173 1 6 ALA MB 1 7 VAL MG2 . . 3.190 3.178 3.096 3.266 0.076 14 0 "[ . 1 . 2]" 2
174 1 7 VAL MG2 1 48 ALA MB . . 3.070 2.561 2.394 2.822 . 0 0 "[ . 1 . 2]" 2
175 1 59 ILE HA 1 59 ILE MG . . 2.920 2.347 2.228 2.376 . 0 0 "[ . 1 . 2]" 2
176 1 19 THR MG 1 59 ILE MG . . 2.560 2.607 2.586 2.634 0.074 18 0 "[ . 1 . 2]" 2
177 1 59 ILE MG 1 62 LEU HB2 . . 3.150 2.684 2.429 2.852 . 0 0 "[ . 1 . 2]" 2
178 1 59 ILE MG 1 62 LEU QD . . 2.570 2.032 1.878 2.324 . 0 0 "[ . 1 . 2]" 2
179 1 59 ILE MG 1 62 LEU HA . . 3.190 2.225 2.143 2.310 . 0 0 "[ . 1 . 2]" 2
180 1 39 ALA HA 1 44 ASP HB3 . . 3.300 2.295 2.031 2.920 . 0 0 "[ . 1 . 2]" 2
181 1 58 SER HA 1 58 SER QB . . 2.720 2.324 2.168 2.476 . 0 0 "[ . 1 . 2]" 2
182 1 57 GLY QA 1 84 THR MG . . 2.950 2.757 2.030 2.981 0.031 16 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 176
_Distance_constraint_stats_list.Viol_total 345.625
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0553
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0720
_Distance_constraint_stats_list.Viol_average_violations_only 0.0982
_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 4 CYS 3.499 0.117 18 0 "[ . 1 . 2]"
1 14 CYS 5.113 0.155 20 0 "[ . 1 . 2]"
1 28 CYS 5.113 0.155 20 0 "[ . 1 . 2]"
1 29 CYS 4.489 0.136 10 0 "[ . 1 . 2]"
1 49 CYS 4.181 0.110 3 0 "[ . 1 . 2]"
1 51 CYS 3.499 0.117 18 0 "[ . 1 . 2]"
1 74 CYS 4.489 0.136 10 0 "[ . 1 . 2]"
1 88 CYS 4.181 0.110 3 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 4 CYS SG 1 51 CYS SG . . 2.000 1.994 1.980 2.007 0.007 18 0 "[ . 1 . 2]" 3
2 1 4 CYS SG 1 51 CYS CB . . 3.000 3.107 3.094 3.117 0.117 18 0 "[ . 1 . 2]" 3
3 1 4 CYS CB 1 51 CYS SG . . 3.000 3.067 2.993 3.116 0.116 1 0 "[ . 1 . 2]" 3
4 1 14 CYS SG 1 28 CYS SG . . 2.000 1.950 1.943 1.965 . 0 0 "[ . 1 . 2]" 3
5 1 14 CYS SG 1 28 CYS CB . . 3.000 3.110 3.101 3.116 0.116 10 0 "[ . 1 . 2]" 3
6 1 14 CYS CB 1 28 CYS SG . . 3.000 3.145 3.097 3.155 0.155 20 0 "[ . 1 . 2]" 3
7 1 29 CYS SG 1 74 CYS SG . . 2.000 1.971 1.956 1.999 . 0 0 "[ . 1 . 2]" 3
8 1 29 CYS SG 1 74 CYS CB . . 3.000 3.126 3.115 3.134 0.134 10 0 "[ . 1 . 2]" 3
9 1 29 CYS CB 1 74 CYS SG . . 3.000 3.098 2.995 3.136 0.136 10 0 "[ . 1 . 2]" 3
10 1 49 CYS SG 1 88 CYS SG . . 2.000 2.067 1.996 2.106 0.106 5 0 "[ . 1 . 2]" 3
11 1 49 CYS SG 1 88 CYS CB . . 3.000 3.098 3.027 3.110 0.110 3 0 "[ . 1 . 2]" 3
12 1 49 CYS CB 1 88 CYS SG . . 3.000 3.043 2.998 3.101 0.101 20 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 1242
_Distance_constraint_stats_list.Viol_total 8461.992
_Distance_constraint_stats_list.Viol_max 0.591
_Distance_constraint_stats_list.Viol_rms 0.1937
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3305
_Distance_constraint_stats_list.Viol_average_violations_only 0.3407
_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 8 THR 17.321 0.510 12 9 "[ **-.** 1 + . * **]"
1 10 ASP 19.479 0.562 14 20 [*************+******]
1 11 LEU 5.921 0.535 14 1 "[ . 1 +. 2]"
1 12 SER 17.321 0.510 12 9 "[ **-.** 1 + . * **]"
1 14 CYS 21.182 0.562 14 20 [*************+******]
1 15 LEU 13.910 0.535 14 1 "[ . 1 +. 2]"
1 16 THR 13.449 0.504 2 3 "[ + .- *1 . 2]"
1 17 TYR 16.925 0.535 14 3 "[ - . 1 *+. 2]"
1 18 LEU 1.703 0.083 10 0 "[ . 1 . 2]"
1 19 THR 7.989 0.507 14 1 "[ . 1 +. 2]"
1 20 GLY 16.925 0.535 14 3 "[ - . 1 *+. 2]"
1 21 GLY 13.449 0.504 2 3 "[ + .- *1 . 2]"
1 25 SER 21.190 0.583 13 20 [*********-**+*******]
1 26 PRO 21.784 0.591 8 20 [*******+**-*********]
1 27 GLN 21.141 0.572 13 20 [***-********+*******]
1 28 CYS 4.913 0.289 13 0 "[ . 1 . 2]"
1 29 CYS 35.606 0.583 13 20 [*********-**+*******]
1 30 GLY 21.784 0.591 8 20 [*******+**-*********]
1 31 GLY 36.270 0.572 13 20 [*-**********+*******]
1 32 VAL 40.969 0.583 13 20 [************+*****-*]
1 33 LYS 14.416 0.575 14 1 "[ . 1 +. 2]"
1 34 LYS 15.129 0.505 16 16 "[ - ** ******* *+****]"
1 35 LEU 15.009 0.506 16 19 "[*****-******* *+****]"
1 36 LEU 21.046 0.583 13 20 [************+*****-*]
1 43 PRO 20.578 0.571 3 19 "[**+****-***** ******]"
1 44 ASP 20.706 0.582 4 17 "[***+** ***** -*****]"
1 45 ARG 11.167 0.528 14 1 "[ . 1 +. 2]"
1 46 GLN 13.306 0.501 16 1 "[ . 1 .+ 2]"
1 47 ALA 39.613 0.586 19 19 "[************* -***+*]"
1 48 ALA 22.458 0.582 4 17 "[***+** ***** -*****]"
1 49 CYS 12.528 0.528 14 1 "[ . 1 +. 2]"
1 50 ASN 13.306 0.501 16 1 "[ . 1 .+ 2]"
1 51 CYS 34.893 0.586 19 19 "[****-******** ****+*]"
1 52 LEU 5.049 0.234 1 0 "[ . 1 . 2]"
1 53 LYS 1.361 0.129 13 0 "[ . 1 . 2]"
1 55 ALA 15.857 0.505 17 19 "[****-******** **+***]"
1 56 ALA 3.297 0.234 1 0 "[ . 1 . 2]"
1 63 ASN 4.094 0.232 14 0 "[ . 1 . 2]"
1 64 THR 16.677 0.525 14 9 "[* **** * +. * -2]"
1 65 ASN 17.337 0.507 9 20 [********+***-*******]
1 66 ASN 14.969 0.481 18 0 "[ . 1 . 2]"
1 67 ALA 4.094 0.232 14 0 "[ . 1 . 2]"
1 68 ALA 38.076 0.566 8 20 [*******+**********-*]
1 69 ALA 19.240 0.507 9 20 [********+***-*******]
1 70 LEU 33.242 0.578 12 16 "[ ***-***1*+* ******]"
1 71 PRO 3.974 0.503 18 1 "[ . 1 . + 2]"
1 72 GLY 21.399 0.566 8 20 [*******+***-********]
1 73 LYS 1.903 0.110 12 0 "[ . 1 . 2]"
1 74 CYS 18.273 0.578 12 16 "[ ***-***1*+* ******]"
1 76 VAL 3.974 0.503 18 1 "[ . 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 8 THR O 1 12 SER H . . 1.800 2.263 1.944 2.310 0.510 12 9 "[ **-.** 1 + . * **]" 4
2 1 8 THR O 1 12 SER N . . 2.700 3.104 2.812 3.176 0.476 12 0 "[ . 1 . 2]" 4
3 1 10 ASP O 1 14 CYS H . . 1.800 2.354 2.350 2.362 0.562 14 20 [***-*********+******] 4
4 1 10 ASP O 1 14 CYS N . . 2.700 3.120 3.102 3.217 0.517 14 1 "[ . 1 +. 2]" 4
5 1 11 LEU O 1 15 LEU H . . 1.800 2.092 1.991 2.335 0.535 14 1 "[ . 1 +. 2]" 4
6 1 11 LEU O 1 15 LEU N . . 2.700 2.703 2.687 2.713 0.013 13 0 "[ . 1 . 2]" 4
7 1 14 CYS O 1 18 LEU H . . 1.800 1.848 1.787 1.883 0.083 10 0 "[ . 1 . 2]" 4
8 1 14 CYS O 1 18 LEU N . . 2.700 2.736 2.706 2.746 0.046 20 0 "[ . 1 . 2]" 4
9 1 15 LEU O 1 19 THR H . . 1.800 2.141 2.093 2.307 0.507 14 1 "[ . 1 +. 2]" 4
10 1 15 LEU O 1 19 THR N . . 2.700 2.759 2.737 2.953 0.253 14 0 "[ . 1 . 2]" 4
11 1 17 TYR O 1 20 GLY H . . 1.800 2.222 2.084 2.301 0.501 13 2 "[ - . 1 + . 2]" 4
12 1 17 TYR O 1 20 GLY N . . 2.700 3.125 2.985 3.235 0.535 14 3 "[ - . 1 *+. 2]" 4
13 1 16 THR O 1 21 GLY H . . 1.800 2.213 1.986 2.304 0.504 2 3 "[ + .- *1 . 2]" 4
14 1 16 THR O 1 21 GLY N . . 2.700 2.960 2.736 3.081 0.381 2 0 "[ . 1 . 2]" 4
15 1 25 SER O 1 29 CYS H . . 1.800 2.296 2.273 2.308 0.508 17 10 "[* * .* - *** +* *]" 4
16 1 25 SER O 1 29 CYS N . . 2.700 3.264 3.244 3.283 0.583 13 20 [************+*****-*] 4
17 1 26 PRO O 1 30 GLY H . . 1.800 2.312 2.302 2.317 0.517 3 20 [**+*******-*********] 4
18 1 26 PRO O 1 30 GLY N . . 2.700 3.277 3.234 3.291 0.591 8 20 [*******+****-*******] 4
19 1 27 GLN O 1 31 GLY H . . 1.800 2.311 2.306 2.334 0.534 14 20 [***-*********+******] 4
20 1 27 GLN O 1 31 GLY N . . 2.700 3.246 3.228 3.272 0.572 13 20 [************+-******] 4
21 1 28 CYS O 1 32 VAL H . . 1.800 1.897 1.811 2.054 0.254 13 0 "[ . 1 . 2]" 4
22 1 28 CYS O 1 32 VAL N . . 2.700 2.848 2.775 2.989 0.289 13 0 "[ . 1 . 2]" 4
23 1 29 CYS O 1 33 LYS H . . 1.800 2.124 1.989 2.294 0.494 14 0 "[ . 1 . 2]" 4
24 1 29 CYS O 1 33 LYS N . . 2.700 3.097 2.966 3.275 0.575 14 1 "[ . 1 +. 2]" 4
25 1 31 GLY O 1 34 LYS H . . 1.800 2.296 2.200 2.305 0.505 16 16 "[ - ** ******* *+****]" 4
26 1 31 GLY O 1 34 LYS N . . 2.700 2.960 2.900 2.990 0.290 12 0 "[ . 1 . 2]" 4
27 1 32 VAL O 1 35 LEU H . . 1.800 2.299 2.198 2.306 0.506 16 19 "[*****-******* *+****]" 4
28 1 32 VAL O 1 35 LEU N . . 2.700 2.952 2.879 2.982 0.282 11 0 "[ . 1 . 2]" 4
29 1 32 VAL O 1 36 LEU H . . 1.800 2.307 2.302 2.316 0.516 13 20 [************+******-] 4
30 1 32 VAL O 1 36 LEU N . . 2.700 3.245 3.200 3.283 0.583 13 20 [************+*****-*] 4
31 1 43 PRO O 1 47 ALA H . . 1.800 2.291 2.217 2.305 0.505 13 13 "[*** ** -** *+ ** * 2]" 4
32 1 43 PRO O 1 47 ALA N . . 2.700 3.238 3.174 3.271 0.571 3 19 "[**+********** **-***]" 4
33 1 44 ASP O 1 48 ALA H . . 1.800 2.281 2.105 2.304 0.504 12 13 "[****. ***+ - ****]" 4
34 1 44 ASP O 1 48 ALA N . . 2.700 3.254 3.083 3.282 0.582 4 17 "[***+-* ***** ******]" 4
35 1 45 ARG O 1 49 CYS H . . 1.800 2.066 1.801 2.274 0.474 14 0 "[ . 1 . 2]" 4
36 1 45 ARG O 1 49 CYS N . . 2.700 2.993 2.750 3.228 0.528 14 1 "[ . 1 +. 2]" 4
37 1 46 GLN O 1 50 ASN H . . 1.800 2.138 2.042 2.301 0.501 16 1 "[ . 1 .+ 2]" 4
38 1 46 GLN O 1 50 ASN N . . 2.700 3.027 2.940 3.165 0.465 16 0 "[ . 1 . 2]" 4
39 1 47 ALA O 1 51 CYS H . . 1.800 2.265 2.041 2.314 0.514 19 10 "[ -* *** * *** +2]" 4
40 1 47 ALA O 1 51 CYS N . . 2.700 3.187 3.001 3.286 0.586 19 9 "[ ** *** -** +2]" 4
41 1 48 ALA O 1 52 LEU H . . 1.800 1.846 1.797 1.903 0.103 11 0 "[ . 1 . 2]" 4
42 1 48 ALA O 1 52 LEU N . . 2.700 2.741 2.695 2.799 0.099 15 0 "[ . 1 . 2]" 4
43 1 49 CYS O 1 53 LYS H . . 1.800 1.804 1.797 1.863 0.063 13 0 "[ . 1 . 2]" 4
44 1 49 CYS O 1 53 LYS N . . 2.700 2.763 2.735 2.829 0.129 13 0 "[ . 1 . 2]" 4
45 1 51 CYS O 1 55 ALA H . . 1.800 2.300 2.267 2.305 0.505 17 19 "[****-******** **+***]" 4
46 1 51 CYS O 1 55 ALA N . . 2.700 2.993 2.955 3.073 0.373 20 0 "[ . 1 . 2]" 4
47 1 52 LEU O 1 56 ALA H . . 1.800 1.851 1.797 1.975 0.175 1 0 "[ . 1 . 2]" 4
48 1 52 LEU O 1 56 ALA N . . 2.700 2.813 2.750 2.934 0.234 1 0 "[ . 1 . 2]" 4
49 1 63 ASN O 1 67 ALA H . . 1.800 1.872 1.799 1.967 0.167 14 0 "[ . 1 . 2]" 4
50 1 63 ASN O 1 67 ALA N . . 2.700 2.833 2.755 2.932 0.232 14 0 "[ . 1 . 2]" 4
51 1 64 THR O 1 68 ALA H . . 1.800 2.222 1.872 2.303 0.503 14 9 "[* **** * +. * -2]" 4
52 1 64 THR O 1 68 ALA N . . 2.700 3.111 2.764 3.225 0.525 14 2 "[ .- 1 +. 2]" 4
53 1 65 ASN O 1 69 ALA H . . 1.800 2.305 2.301 2.307 0.507 9 20 [********+***-*******] 4
54 1 65 ASN O 1 69 ALA N . . 2.700 3.062 2.949 3.118 0.418 8 0 "[ . 1 . 2]" 4
55 1 66 ASN O 1 70 LEU H . . 1.800 2.226 2.161 2.281 0.481 18 0 "[ . 1 . 2]" 4
56 1 66 ASN O 1 70 LEU N . . 2.700 3.023 2.962 3.130 0.430 11 0 "[ . 1 . 2]" 4
57 1 68 ALA O 1 72 GLY H . . 1.800 2.327 2.300 2.343 0.543 14 19 "[********** -*+******]" 4
58 1 68 ALA O 1 72 GLY N . . 2.700 3.243 3.219 3.266 0.566 8 20 [*******+**-*********] 4
59 1 69 ALA O 1 73 LYS H . . 1.800 1.858 1.799 1.910 0.110 12 0 "[ . 1 . 2]" 4
60 1 69 ALA O 1 73 LYS N . . 2.700 2.736 2.693 2.761 0.061 5 0 "[ . 1 . 2]" 4
61 1 70 LEU O 1 74 CYS H . . 1.800 2.302 2.233 2.321 0.521 12 16 "[ ***-***1*+* ******]" 4
62 1 70 LEU O 1 74 CYS N . . 2.700 3.112 3.014 3.278 0.578 12 4 "[ . 1*+- .* 2]" 4
63 1 71 PRO O 1 76 VAL H . . 1.800 1.923 1.785 2.303 0.503 18 1 "[ . 1 . + 2]" 4
64 1 71 PRO O 1 76 VAL N . . 2.700 2.773 2.723 2.878 0.178 7 0 "[ . 1 . 2]" 4
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