NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651769 |
7jn6   |
30783 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7jn6
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 552
_Distance_constraint_stats_list.Viol_count 409
_Distance_constraint_stats_list.Viol_total 255.932
_Distance_constraint_stats_list.Viol_max 0.294
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0313
_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 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 CYS 0.045 0.024 9 0 "[ . 1 . 2]"
1 4 ASP 0.032 0.032 8 0 "[ . 1 . 2]"
1 5 HIS 0.269 0.055 8 0 "[ . 1 . 2]"
1 6 PHE 1.023 0.071 2 0 "[ . 1 . 2]"
1 7 LEU 0.418 0.048 11 0 "[ . 1 . 2]"
1 8 GLY 0.419 0.067 12 0 "[ . 1 . 2]"
1 9 GLU 0.144 0.045 5 0 "[ . 1 . 2]"
1 10 ALA 0.473 0.055 12 0 "[ . 1 . 2]"
1 11 PRO 0.507 0.055 12 0 "[ . 1 . 2]"
1 12 VAL 0.793 0.112 17 0 "[ . 1 . 2]"
1 13 TYR 0.281 0.041 6 0 "[ . 1 . 2]"
1 14 PRO 0.247 0.041 6 0 "[ . 1 . 2]"
1 15 CYS 0.592 0.089 15 0 "[ . 1 . 2]"
1 16 LYS 2.330 0.181 15 0 "[ . 1 . 2]"
1 17 GLU 2.090 0.161 10 0 "[ . 1 . 2]"
1 18 LYS 0.536 0.093 3 0 "[ . 1 . 2]"
1 19 ALA 0.980 0.093 19 0 "[ . 1 . 2]"
1 20 CYS 0.094 0.050 19 0 "[ . 1 . 2]"
1 21 LYS 0.321 0.141 6 0 "[ . 1 . 2]"
1 22 SER 0.400 0.093 19 0 "[ . 1 . 2]"
1 23 VAL 0.492 0.294 13 0 "[ . 1 . 2]"
1 24 CYS 0.069 0.022 18 0 "[ . 1 . 2]"
1 25 LYS 0.200 0.183 19 0 "[ . 1 . 2]"
1 26 GLU 0.198 0.128 11 0 "[ . 1 . 2]"
1 27 HIS 0.553 0.045 4 0 "[ . 1 . 2]"
1 28 TYR 0.943 0.067 12 0 "[ . 1 . 2]"
1 29 HIS 0.076 0.025 2 0 "[ . 1 . 2]"
1 30 HIS 0.068 0.025 2 0 "[ . 1 . 2]"
1 31 ALA 0.122 0.042 6 0 "[ . 1 . 2]"
1 32 CYS 0.108 0.041 8 0 "[ . 1 . 2]"
1 33 LYS 0.475 0.068 15 0 "[ . 1 . 2]"
1 34 GLY 0.091 0.072 6 0 "[ . 1 . 2]"
1 35 GLU 0.137 0.039 20 0 "[ . 1 . 2]"
1 36 CYS 0.147 0.039 20 0 "[ . 1 . 2]"
1 37 GLU 1.130 0.105 18 0 "[ . 1 . 2]"
1 38 TYR 0.099 0.055 18 0 "[ . 1 . 2]"
1 39 HIS 0.099 0.055 18 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ARG 0.007 0.007 7 0 "[ . 1 . 2]"
1 42 GLU 0.035 0.017 4 0 "[ . 1 . 2]"
1 43 VAL 1.373 0.105 18 0 "[ . 1 . 2]"
1 44 HIS 0.378 0.070 8 0 "[ . 1 . 2]"
1 45 CYS 0.438 0.085 18 0 "[ . 1 . 2]"
1 46 HIS 1.062 0.071 2 0 "[ . 1 . 2]"
1 47 CYS 0.269 0.049 8 0 "[ . 1 . 2]"
1 48 TYR 0.560 0.068 15 0 "[ . 1 . 2]"
1 49 GLY 0.151 0.059 12 0 "[ . 1 . 2]"
1 50 ASP 0.151 0.052 2 0 "[ . 1 . 2]"
1 51 TYR 0.405 0.074 9 0 "[ . 1 . 2]"
1 52 HIS 0.384 0.074 9 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 2 HIS HA 1 2 HIS HD2 3.290 . 4.780 3.475 2.468 4.684 . 0 0 "[ . 1 . 2]" 1
2 1 2 HIS HA 1 3 CYS H 2.540 . 3.280 2.212 2.036 2.660 . 0 0 "[ . 1 . 2]" 1
3 1 3 CYS H 1 3 CYS HB3 2.845 . 3.890 3.618 3.495 3.852 . 0 0 "[ . 1 . 2]" 1
4 1 3 CYS H 1 3 CYS HB2 2.845 . 3.890 2.513 2.388 2.824 . 0 0 "[ . 1 . 2]" 1
5 1 3 CYS HA 1 4 ASP H 2.575 . 3.350 2.374 2.061 3.017 . 0 0 "[ . 1 . 2]" 1
6 1 4 ASP H 1 4 ASP HB3 2.925 . 4.050 3.022 2.446 3.771 . 0 0 "[ . 1 . 2]" 1
7 1 4 ASP H 1 4 ASP HB2 2.925 . 4.050 3.160 2.316 3.974 . 0 0 "[ . 1 . 2]" 1
8 1 4 ASP H 1 5 HIS H 2.610 . 3.420 2.018 1.768 2.578 0.032 8 0 "[ . 1 . 2]" 1
9 1 5 HIS HA 1 5 HIS HD2 3.055 . 4.310 3.231 2.620 4.220 . 0 0 "[ . 1 . 2]" 1
10 1 5 HIS H 1 5 HIS HB2 2.710 . 3.620 2.589 2.377 2.941 . 0 0 "[ . 1 . 2]" 1
11 1 5 HIS H 1 5 HIS HB3 2.710 . 3.620 3.019 2.282 3.674 0.054 1 0 "[ . 1 . 2]" 1
12 1 9 GLU H 1 9 GLU HG2 3.295 . 4.790 3.104 2.052 4.424 . 0 0 "[ . 1 . 2]" 1
13 1 9 GLU H 1 9 GLU HG3 3.295 . 4.790 3.271 2.575 4.737 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLY HA2 1 9 GLU H 2.620 . 3.440 2.646 2.455 2.916 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLY HA3 1 9 GLU H 2.620 . 3.440 2.425 2.175 2.651 . 0 0 "[ . 1 . 2]" 1
16 1 10 ALA HA 1 11 PRO HD2 2.660 . 3.520 2.409 2.200 2.792 . 0 0 "[ . 1 . 2]" 1
17 1 10 ALA HA 1 11 PRO HD3 2.660 . 3.520 2.164 2.045 2.271 . 0 0 "[ . 1 . 2]" 1
18 1 10 ALA H 1 10 ALA MB 2.580 . 3.360 2.472 2.318 2.565 . 0 0 "[ . 1 . 2]" 1
19 1 10 ALA H 1 46 HIS HA 3.640 . 5.480 3.752 3.453 4.102 . 0 0 "[ . 1 . 2]" 1
20 1 9 GLU HA 1 10 ALA H 2.470 . 3.140 2.217 2.095 2.398 . 0 0 "[ . 1 . 2]" 1
21 1 11 PRO HA 1 12 VAL H 2.385 . 2.970 2.222 2.150 2.289 . 0 0 "[ . 1 . 2]" 1
22 1 12 VAL HA 1 12 VAL MG1 2.685 . 3.570 2.638 2.317 3.240 . 0 0 "[ . 1 . 2]" 1
23 1 12 VAL HA 1 12 VAL MG2 2.685 . 3.570 2.562 2.351 3.229 . 0 0 "[ . 1 . 2]" 1
24 1 10 ALA MB 1 12 VAL H 3.650 . 5.500 4.699 4.123 5.277 . 0 0 "[ . 1 . 2]" 1
25 1 12 VAL H 1 12 VAL HB 2.750 . 3.700 3.114 2.668 3.812 0.112 17 0 "[ . 1 . 2]" 1
26 1 12 VAL H 1 13 TYR H 3.175 . 4.550 4.095 3.913 4.348 . 0 0 "[ . 1 . 2]" 1
27 1 12 VAL HA 1 13 TYR H 2.315 . 2.830 2.173 2.104 2.298 . 0 0 "[ . 1 . 2]" 1
28 1 50 ASP HA 1 51 TYR H 2.530 . 3.260 2.186 2.122 2.336 . 0 0 "[ . 1 . 2]" 1
29 1 13 TYR HA 1 14 PRO HA 2.540 . 3.280 2.107 1.899 2.310 . 0 0 "[ . 1 . 2]" 1
30 1 13 TYR H 1 13 TYR QD 3.185 . 4.570 4.435 4.335 4.517 . 0 0 "[ . 1 . 2]" 1
31 1 13 TYR HA 1 13 TYR QD 2.670 . 3.540 2.796 2.443 3.131 . 0 0 "[ . 1 . 2]" 1
32 1 13 TYR HA 1 13 TYR QE 3.405 . 5.010 4.581 4.487 4.730 . 0 0 "[ . 1 . 2]" 1
33 1 14 PRO HB2 1 15 CYS H 2.805 . 3.810 3.109 2.557 3.519 . 0 0 "[ . 1 . 2]" 1
34 1 14 PRO HA 1 15 CYS H 2.460 . 3.120 2.298 2.090 2.533 . 0 0 "[ . 1 . 2]" 1
35 1 14 PRO HB3 1 15 CYS H 2.940 . 4.080 3.406 2.923 3.833 . 0 0 "[ . 1 . 2]" 1
36 1 15 CYS H 1 15 CYS HB2 2.630 . 3.460 2.772 2.430 3.048 . 0 0 "[ . 1 . 2]" 1
37 1 15 CYS H 1 15 CYS HB3 2.630 . 3.460 2.479 2.321 2.630 . 0 0 "[ . 1 . 2]" 1
38 1 13 TYR HA 1 15 CYS H 2.840 . 3.880 3.035 2.434 3.716 . 0 0 "[ . 1 . 2]" 1
39 1 15 CYS H 1 16 LYS H 3.240 . 4.680 4.319 4.006 4.528 . 0 0 "[ . 1 . 2]" 1
40 1 15 CYS HA 1 16 LYS H 2.325 . 2.850 2.094 2.015 2.171 . 0 0 "[ . 1 . 2]" 1
41 1 16 LYS HA 1 16 LYS HD2 3.090 . 4.380 2.521 1.825 4.190 . 0 0 "[ . 1 . 2]" 1
42 1 16 LYS HA 1 16 LYS HD3 3.090 . 4.380 3.075 2.004 4.025 . 0 0 "[ . 1 . 2]" 1
43 1 16 LYS HA 1 19 ALA MB 3.340 . 4.880 4.242 3.892 4.701 . 0 0 "[ . 1 . 2]" 1
44 1 19 ALA MB 1 20 CYS HA 3.435 . 5.070 3.790 3.719 3.869 . 0 0 "[ . 1 . 2]" 1
45 1 16 LYS HA 1 16 LYS HG2 2.980 . 4.160 3.587 2.959 3.812 . 0 0 "[ . 1 . 2]" 1
46 1 16 LYS HA 1 16 LYS HG3 2.980 . 4.160 2.932 2.491 3.819 . 0 0 "[ . 1 . 2]" 1
47 1 16 LYS H 1 19 ALA MB 2.815 . 3.830 2.460 1.825 2.747 . 0 0 "[ . 1 . 2]" 1
48 1 16 LYS H 1 17 GLU H 3.365 . 4.930 4.264 3.929 4.504 . 0 0 "[ . 1 . 2]" 1
49 1 16 LYS HA 1 17 GLU H 2.390 . 2.980 2.265 2.092 2.514 . 0 0 "[ . 1 . 2]" 1
50 1 31 ALA H 1 31 ALA MB 2.410 . 3.020 2.298 2.244 2.370 . 0 0 "[ . 1 . 2]" 1
51 1 25 LYS HA 1 31 ALA H 3.430 . 5.060 3.638 3.091 4.189 . 0 0 "[ . 1 . 2]" 1
52 1 30 HIS H 1 31 ALA H 2.670 . 3.540 2.487 2.212 2.934 . 0 0 "[ . 1 . 2]" 1
53 1 30 HIS HB3 1 31 ALA H 3.385 . 4.970 4.269 4.164 4.432 . 0 0 "[ . 1 . 2]" 1
54 1 30 HIS HB2 1 31 ALA H 3.385 . 4.970 3.672 3.401 3.969 . 0 0 "[ . 1 . 2]" 1
55 1 30 HIS H 1 30 HIS HD2 3.280 . 4.760 3.023 2.212 4.763 0.003 2 0 "[ . 1 . 2]" 1
56 1 30 HIS H 1 30 HIS HB3 2.940 . 4.080 3.646 3.580 3.680 . 0 0 "[ . 1 . 2]" 1
57 1 30 HIS H 1 30 HIS HB2 2.940 . 4.080 2.458 2.319 2.588 . 0 0 "[ . 1 . 2]" 1
58 1 19 ALA H 1 19 ALA MB 2.410 . 3.020 2.259 2.236 2.289 . 0 0 "[ . 1 . 2]" 1
59 1 18 LYS H 1 19 ALA H 2.680 . 3.560 2.647 2.472 2.740 . 0 0 "[ . 1 . 2]" 1
60 1 18 LYS H 1 20 CYS H 3.230 . 4.660 4.189 4.000 4.432 . 0 0 "[ . 1 . 2]" 1
61 1 17 GLU H 1 18 LYS H 2.885 . 3.970 2.833 2.425 3.031 . 0 0 "[ . 1 . 2]" 1
62 1 19 ALA H 1 20 CYS H 2.555 . 3.310 2.625 2.481 2.748 . 0 0 "[ . 1 . 2]" 1
63 1 7 LEU H 1 7 LEU MD2 3.005 . 4.210 3.417 3.129 3.603 . 0 0 "[ . 1 . 2]" 1
64 1 7 LEU H 1 7 LEU HB2 2.835 . 3.870 2.480 2.393 2.577 . 0 0 "[ . 1 . 2]" 1
65 1 7 LEU H 1 7 LEU HB3 2.835 . 3.870 3.629 3.595 3.689 . 0 0 "[ . 1 . 2]" 1
66 1 7 LEU HA 1 7 LEU MD2 2.440 . 3.080 2.087 2.033 2.160 . 0 0 "[ . 1 . 2]" 1
67 1 7 LEU H 1 7 LEU HG 2.715 . 3.630 2.527 2.322 2.736 . 0 0 "[ . 1 . 2]" 1
68 1 6 PHE H 1 7 LEU H 3.420 . 5.040 4.373 4.234 4.526 . 0 0 "[ . 1 . 2]" 1
69 1 6 PHE HA 1 7 LEU H 2.535 . 3.270 2.111 2.059 2.176 . 0 0 "[ . 1 . 2]" 1
70 1 7 LEU H 1 48 TYR HA 2.830 . 3.860 2.953 2.649 3.317 . 0 0 "[ . 1 . 2]" 1
71 1 7 LEU H 1 8 GLY H 2.625 . 3.450 2.266 1.950 2.419 . 0 0 "[ . 1 . 2]" 1
72 1 6 PHE HB2 1 7 LEU H 3.305 . 4.810 4.243 4.002 4.409 . 0 0 "[ . 1 . 2]" 1
73 1 6 PHE HB3 1 7 LEU H 3.305 . 4.810 3.778 3.131 4.427 . 0 0 "[ . 1 . 2]" 1
74 1 5 HIS HA 1 6 PHE H 2.425 . 3.050 2.140 2.023 2.276 . 0 0 "[ . 1 . 2]" 1
75 1 6 PHE H 1 6 PHE HB2 2.800 . 3.800 2.549 2.389 2.710 . 0 0 "[ . 1 . 2]" 1
76 1 5 HIS HD2 1 6 PHE H 3.295 . 4.790 4.096 2.766 4.845 0.055 8 0 "[ . 1 . 2]" 1
77 1 6 PHE H 1 6 PHE QD 2.960 . 4.120 3.087 1.945 4.146 0.026 15 0 "[ . 1 . 2]" 1
78 1 35 GLU H 1 48 TYR QD 3.150 . 4.500 3.565 3.198 4.004 . 0 0 "[ . 1 . 2]" 1
79 1 23 VAL H 1 23 VAL MG1 3.010 . 4.220 3.523 2.042 3.787 . 0 0 "[ . 1 . 2]" 1
80 1 23 VAL MG1 1 24 CYS H 3.140 . 4.480 3.360 2.273 4.026 . 0 0 "[ . 1 . 2]" 1
81 1 23 VAL H 1 23 VAL MG2 3.010 . 4.220 2.296 1.996 3.819 . 0 0 "[ . 1 . 2]" 1
82 1 23 VAL MG2 1 24 CYS H 3.140 . 4.480 3.813 2.263 3.979 . 0 0 "[ . 1 . 2]" 1
83 1 23 VAL H 1 23 VAL HB 2.445 . 3.090 2.562 2.459 3.384 0.294 13 0 "[ . 1 . 2]" 1
84 1 21 LYS H 1 22 SER H 2.665 . 3.530 2.693 2.594 2.760 . 0 0 "[ . 1 . 2]" 1
85 1 21 LYS H 1 21 LYS HB2 2.515 . 3.230 2.416 2.170 2.539 . 0 0 "[ . 1 . 2]" 1
86 1 21 LYS H 1 21 LYS HB3 2.555 . 3.310 2.558 2.347 3.451 0.141 6 0 "[ . 1 . 2]" 1
87 1 27 HIS HA 1 27 HIS HD2 3.215 . 4.630 3.767 3.446 4.025 . 0 0 "[ . 1 . 2]" 1
88 1 23 VAL HA 1 27 HIS HD2 3.175 . 4.550 3.480 2.971 3.898 . 0 0 "[ . 1 . 2]" 1
89 1 23 VAL HB 1 27 HIS HD2 3.295 . 4.790 4.412 2.237 4.822 0.032 17 0 "[ . 1 . 2]" 1
90 1 10 ALA MB 1 27 HIS HD2 3.075 . 4.350 3.343 2.742 4.356 0.006 17 0 "[ . 1 . 2]" 1
91 1 23 VAL MG1 1 27 HIS HD2 3.355 . 4.910 2.424 1.928 4.471 . 0 0 "[ . 1 . 2]" 1
92 1 23 VAL MG2 1 27 HIS HD2 3.355 . 4.910 4.063 2.098 4.555 . 0 0 "[ . 1 . 2]" 1
93 1 21 LYS HA 1 34 GLY HA2 3.410 . 5.020 4.235 3.584 4.915 . 0 0 "[ . 1 . 2]" 1
94 1 33 LYS HA 1 34 GLY H 2.400 . 3.000 2.244 2.109 2.415 . 0 0 "[ . 1 . 2]" 1
95 1 21 LYS HA 1 34 GLY H 3.035 . 4.270 3.142 2.311 4.038 . 0 0 "[ . 1 . 2]" 1
96 1 21 LYS HB2 1 34 GLY H 2.980 . 4.160 3.241 2.584 4.232 0.072 6 0 "[ . 1 . 2]" 1
97 1 33 LYS HB2 1 34 GLY H 3.215 . 4.630 4.041 3.624 4.311 . 0 0 "[ . 1 . 2]" 1
98 1 21 LYS HB3 1 34 GLY H 3.650 . 5.500 4.744 4.129 5.506 0.006 20 0 "[ . 1 . 2]" 1
99 1 33 LYS HB3 1 34 GLY H 3.215 . 4.630 3.873 2.317 4.329 . 0 0 "[ . 1 . 2]" 1
100 1 31 ALA MB 1 33 LYS H 2.735 . 3.670 3.263 2.936 3.700 0.030 14 0 "[ . 1 . 2]" 1
101 1 32 CYS HB3 1 33 LYS H 3.225 . 4.650 4.176 2.583 4.584 . 0 0 "[ . 1 . 2]" 1
102 1 32 CYS HB2 1 33 LYS H 3.225 . 4.650 3.990 3.506 4.385 . 0 0 "[ . 1 . 2]" 1
103 1 32 CYS H 1 33 LYS H 2.395 . 2.990 1.929 1.795 2.135 0.005 15 0 "[ . 1 . 2]" 1
104 1 32 CYS H 1 49 GLY HA2 2.875 . 3.950 2.795 2.255 3.541 . 0 0 "[ . 1 . 2]" 1
105 1 31 ALA HA 1 32 CYS H 2.435 . 3.070 2.135 2.037 2.364 . 0 0 "[ . 1 . 2]" 1
106 1 31 ALA MB 1 32 CYS H 2.710 . 3.620 2.887 2.345 3.275 . 0 0 "[ . 1 . 2]" 1
107 1 35 GLU H 1 35 GLU HB2 2.930 . 4.060 3.003 2.641 3.913 . 0 0 "[ . 1 . 2]" 1
108 1 35 GLU H 1 35 GLU HB3 2.930 . 4.060 3.272 2.575 3.916 . 0 0 "[ . 1 . 2]" 1
109 1 34 GLY HA3 1 35 GLU H 2.660 . 3.520 3.087 2.791 3.308 . 0 0 "[ . 1 . 2]" 1
110 1 34 GLY HA2 1 35 GLU H 2.505 . 3.210 2.204 2.136 2.430 . 0 0 "[ . 1 . 2]" 1
111 1 34 GLY H 1 35 GLU H 3.250 . 4.700 4.212 3.846 4.430 . 0 0 "[ . 1 . 2]" 1
112 1 45 CYS HA 1 46 HIS H 2.370 . 2.940 2.131 2.050 2.211 . 0 0 "[ . 1 . 2]" 1
113 1 35 GLU H 1 46 HIS H 2.950 . 4.100 2.923 2.717 3.299 . 0 0 "[ . 1 . 2]" 1
114 1 46 HIS H 1 47 CYS H 3.290 . 4.780 4.320 4.181 4.464 . 0 0 "[ . 1 . 2]" 1
115 1 39 HIS HA 1 40 GLY H 2.505 . 3.210 2.144 2.055 2.219 . 0 0 "[ . 1 . 2]" 1
116 1 41 ARG H 1 42 GLU H 2.455 . 3.110 2.194 1.793 2.684 0.007 7 0 "[ . 1 . 2]" 1
117 1 42 GLU HG2 1 43 VAL H 3.650 . 5.500 4.323 1.823 5.170 . 0 0 "[ . 1 . 2]" 1
118 1 42 GLU HG3 1 43 VAL H 3.650 . 5.500 4.268 2.446 5.517 0.017 4 0 "[ . 1 . 2]" 1
119 1 42 GLU HA 1 43 VAL H 2.330 . 2.860 2.348 2.000 2.751 . 0 0 "[ . 1 . 2]" 1
120 1 43 VAL HA 1 44 HIS H 2.380 . 2.960 2.134 2.052 2.270 . 0 0 "[ . 1 . 2]" 1
121 1 44 HIS HA 1 45 CYS H 2.495 . 3.190 2.224 2.066 2.431 . 0 0 "[ . 1 . 2]" 1
122 1 48 TYR HA 1 49 GLY H 2.455 . 3.110 2.202 2.118 2.264 . 0 0 "[ . 1 . 2]" 1
123 1 6 PHE QD 1 48 TYR HA 3.435 . 5.070 4.611 3.763 5.082 0.012 6 0 "[ . 1 . 2]" 1
124 1 48 TYR HA 1 48 TYR QD 2.820 . 3.840 2.925 2.546 3.187 . 0 0 "[ . 1 . 2]" 1
125 1 32 CYS H 1 50 ASP H 3.650 . 5.500 4.671 3.849 5.425 . 0 0 "[ . 1 . 2]" 1
126 1 49 GLY H 1 50 ASP H 3.195 . 4.590 4.249 4.093 4.385 . 0 0 "[ . 1 . 2]" 1
127 1 7 LEU MD1 1 50 ASP H 3.130 . 4.460 3.351 2.651 4.184 . 0 0 "[ . 1 . 2]" 1
128 1 7 LEU MD2 1 50 ASP H 3.415 . 5.030 3.718 2.712 4.592 . 0 0 "[ . 1 . 2]" 1
129 1 10 ALA MB 1 27 HIS HE1 3.440 . 5.080 4.236 3.637 4.994 . 0 0 "[ . 1 . 2]" 1
130 1 50 ASP H 1 50 ASP HB2 2.810 . 3.820 3.141 2.647 3.872 0.052 2 0 "[ . 1 . 2]" 1
131 1 50 ASP H 1 50 ASP HB3 2.810 . 3.820 2.842 2.454 3.827 0.007 14 0 "[ . 1 . 2]" 1
132 1 11 PRO HG3 1 27 HIS HE1 3.355 . 4.910 4.149 3.219 4.929 0.019 10 0 "[ . 1 . 2]" 1
133 1 11 PRO HG2 1 27 HIS HE1 3.355 . 4.910 3.829 3.082 4.664 . 0 0 "[ . 1 . 2]" 1
134 1 11 PRO HD3 1 27 HIS HE1 3.360 . 4.920 3.977 3.273 4.910 . 0 0 "[ . 1 . 2]" 1
135 1 11 PRO HD2 1 27 HIS HE1 3.360 . 4.920 3.091 2.562 3.802 . 0 0 "[ . 1 . 2]" 1
136 1 49 GLY HA3 1 50 ASP H 2.605 . 3.410 2.396 2.181 2.767 . 0 0 "[ . 1 . 2]" 1
137 1 31 ALA HA 1 50 ASP H 3.305 . 4.810 4.062 3.286 4.852 0.042 6 0 "[ . 1 . 2]" 1
138 1 49 GLY HA2 1 50 ASP H 2.605 . 3.410 2.658 2.183 3.015 . 0 0 "[ . 1 . 2]" 1
139 1 13 TYR H 1 13 TYR HB2 2.865 . 3.930 3.293 3.070 3.484 . 0 0 "[ . 1 . 2]" 1
140 1 13 TYR H 1 13 TYR HB3 2.865 . 3.930 2.946 2.750 3.119 . 0 0 "[ . 1 . 2]" 1
141 1 51 TYR H 1 51 TYR QD 3.155 . 4.510 3.296 1.837 4.415 . 0 0 "[ . 1 . 2]" 1
142 1 51 TYR QD 1 52 HIS H 3.265 . 4.730 3.765 2.851 4.394 . 0 0 "[ . 1 . 2]" 1
143 1 51 TYR HA 1 51 TYR QD 2.825 . 3.850 3.014 2.014 3.774 . 0 0 "[ . 1 . 2]" 1
144 1 51 TYR HB2 1 52 HIS H 3.105 . 4.410 3.859 2.118 4.417 0.007 12 0 "[ . 1 . 2]" 1
145 1 51 TYR HB3 1 52 HIS H 3.105 . 4.410 3.810 3.182 4.312 . 0 0 "[ . 1 . 2]" 1
146 1 51 TYR HA 1 52 HIS H 2.580 . 3.360 2.155 2.030 2.410 . 0 0 "[ . 1 . 2]" 1
147 1 28 TYR H 1 29 HIS H 3.095 . 4.390 4.121 3.887 4.412 0.022 11 0 "[ . 1 . 2]" 1
148 1 29 HIS H 1 30 HIS H 2.980 . 4.160 2.520 2.153 2.813 . 0 0 "[ . 1 . 2]" 1
149 1 28 TYR HA 1 29 HIS H 2.360 . 2.920 2.203 2.115 2.528 . 0 0 "[ . 1 . 2]" 1
150 1 28 TYR HB2 1 29 HIS H 3.115 . 4.430 4.155 3.350 4.372 . 0 0 "[ . 1 . 2]" 1
151 1 28 TYR HB3 1 29 HIS H 3.115 . 4.430 3.473 2.335 3.905 . 0 0 "[ . 1 . 2]" 1
152 1 28 TYR H 1 28 TYR QD 2.780 . 3.760 2.795 2.562 3.101 . 0 0 "[ . 1 . 2]" 1
153 1 28 TYR QD 1 29 HIS H 3.650 . 5.500 4.534 3.967 4.815 . 0 0 "[ . 1 . 2]" 1
154 1 29 HIS H 1 29 HIS HD2 3.650 . 5.500 3.559 2.332 4.952 . 0 0 "[ . 1 . 2]" 1
155 1 27 HIS H 1 28 TYR H 2.545 . 3.290 2.477 2.237 2.601 . 0 0 "[ . 1 . 2]" 1
156 1 27 HIS H 1 27 HIS HD2 3.015 . 4.230 2.611 2.438 2.799 . 0 0 "[ . 1 . 2]" 1
157 1 27 HIS H 1 28 TYR QD 3.295 . 4.790 4.159 3.722 4.664 . 0 0 "[ . 1 . 2]" 1
158 1 26 GLU H 1 27 HIS H 2.610 . 3.420 2.400 2.159 2.704 . 0 0 "[ . 1 . 2]" 1
159 1 25 LYS H 1 26 GLU H 2.690 . 3.580 2.465 2.227 2.734 . 0 0 "[ . 1 . 2]" 1
160 1 24 CYS H 1 25 LYS H 2.665 . 3.530 2.811 2.679 2.909 . 0 0 "[ . 1 . 2]" 1
161 1 47 CYS HA 1 48 TYR H 2.445 . 3.090 2.108 2.019 2.166 . 0 0 "[ . 1 . 2]" 1
162 1 48 TYR H 1 48 TYR QD 2.755 . 3.710 2.640 2.205 3.189 . 0 0 "[ . 1 . 2]" 1
163 1 48 TYR QD 1 49 GLY H 3.125 . 4.450 4.142 3.888 4.492 0.042 18 0 "[ . 1 . 2]" 1
164 1 1 ALA MB 1 2 HIS H 2.930 . 4.060 2.787 1.974 3.704 . 0 0 "[ . 1 . 2]" 1
165 1 3 CYS HA 1 5 HIS H 3.130 . 4.460 3.581 3.192 4.397 . 0 0 "[ . 1 . 2]" 1
166 1 5 HIS H 1 48 TYR QD 3.215 . 4.630 4.119 2.937 4.655 0.025 19 0 "[ . 1 . 2]" 1
167 1 5 HIS H 1 49 GLY H 3.095 . 4.390 3.303 2.921 3.850 . 0 0 "[ . 1 . 2]" 1
168 1 6 PHE H 1 6 PHE HB3 2.800 . 3.800 3.096 2.282 3.647 . 0 0 "[ . 1 . 2]" 1
169 1 6 PHE HA 1 6 PHE QD 2.960 . 4.120 2.932 2.587 3.226 . 0 0 "[ . 1 . 2]" 1
170 1 7 LEU HB2 1 47 CYS HB2 3.120 . 4.440 2.788 2.309 3.079 . 0 0 "[ . 1 . 2]" 1
171 1 7 LEU HB3 1 47 CYS HB2 3.120 . 4.440 4.352 3.894 4.488 0.048 11 0 "[ . 1 . 2]" 1
172 1 15 CYS HB3 1 43 VAL MG2 3.015 . 4.230 3.378 2.121 4.270 0.040 18 0 "[ . 1 . 2]" 1
173 1 15 CYS HB2 1 43 VAL MG2 3.015 . 4.230 3.324 2.311 4.247 0.017 9 0 "[ . 1 . 2]" 1
174 1 43 VAL HA 1 43 VAL MG2 2.770 . 3.740 2.373 2.278 2.440 . 0 0 "[ . 1 . 2]" 1
175 1 7 LEU H 1 49 GLY H 3.320 . 4.840 3.924 3.729 4.186 . 0 0 "[ . 1 . 2]" 1
176 1 8 GLY H 1 9 GLU H 3.295 . 4.790 4.239 4.148 4.318 . 0 0 "[ . 1 . 2]" 1
177 1 8 GLY HA3 1 28 TYR QE 3.100 . 4.400 3.000 2.670 3.117 . 0 0 "[ . 1 . 2]" 1
178 1 8 GLY HA2 1 28 TYR QE 3.100 . 4.400 4.396 4.187 4.467 0.067 12 0 "[ . 1 . 2]" 1
179 1 12 VAL HA 1 13 TYR HB2 3.650 . 5.500 4.589 4.275 4.826 . 0 0 "[ . 1 . 2]" 1
180 1 12 VAL HA 1 13 TYR HB3 3.650 . 5.500 4.743 4.502 4.985 . 0 0 "[ . 1 . 2]" 1
181 1 20 CYS H 1 20 CYS HB3 2.730 . 3.660 2.644 2.401 3.535 . 0 0 "[ . 1 . 2]" 1
182 1 20 CYS H 1 20 CYS HB2 2.730 . 3.660 2.420 2.167 2.548 . 0 0 "[ . 1 . 2]" 1
183 1 9 GLU HA 1 10 ALA MB 3.245 . 4.690 3.920 3.818 4.081 . 0 0 "[ . 1 . 2]" 1
184 1 9 GLU HG2 1 10 ALA H 3.650 . 5.500 4.392 2.594 5.191 . 0 0 "[ . 1 . 2]" 1
185 1 9 GLU HG3 1 10 ALA H 3.650 . 5.500 4.253 3.054 5.146 . 0 0 "[ . 1 . 2]" 1
186 1 9 GLU H 1 10 ALA H 3.430 . 5.060 4.342 4.203 4.481 . 0 0 "[ . 1 . 2]" 1
187 1 10 ALA MB 1 11 PRO HD2 2.700 . 3.600 2.580 2.297 2.750 . 0 0 "[ . 1 . 2]" 1
188 1 10 ALA MB 1 11 PRO HD3 2.700 . 3.600 3.485 3.162 3.640 0.040 12 0 "[ . 1 . 2]" 1
189 1 51 TYR H 1 52 HIS H 3.075 . 4.350 4.289 4.009 4.424 0.074 9 0 "[ . 1 . 2]" 1
190 1 17 GLU HA 1 17 GLU HG2 2.955 . 4.110 3.375 2.319 4.190 0.080 7 0 "[ . 1 . 2]" 1
191 1 17 GLU HA 1 17 GLU HG3 2.955 . 4.110 3.319 2.526 4.214 0.104 11 0 "[ . 1 . 2]" 1
192 1 17 GLU H 1 17 GLU HB2 2.720 . 3.640 2.965 2.176 3.670 0.030 10 0 "[ . 1 . 2]" 1
193 1 17 GLU H 1 17 GLU HB3 2.720 . 3.640 3.078 2.388 3.652 0.012 8 0 "[ . 1 . 2]" 1
194 1 16 LYS HB2 1 17 GLU H 3.010 . 4.220 4.051 3.479 4.312 0.092 12 0 "[ . 1 . 2]" 1
195 1 16 LYS HB3 1 17 GLU H 3.010 . 4.220 3.191 2.311 4.149 . 0 0 "[ . 1 . 2]" 1
196 1 17 GLU H 1 17 GLU HG2 3.175 . 4.550 3.481 2.080 4.424 . 0 0 "[ . 1 . 2]" 1
197 1 17 GLU H 1 17 GLU HG3 3.175 . 4.550 2.968 1.966 4.441 . 0 0 "[ . 1 . 2]" 1
198 1 15 CYS HA 1 19 ALA MB 2.885 . 3.970 3.771 3.066 4.059 0.089 15 0 "[ . 1 . 2]" 1
199 1 18 LYS HA 1 21 LYS HB2 2.985 . 4.170 3.519 2.477 4.206 0.036 9 0 "[ . 1 . 2]" 1
200 1 18 LYS HA 1 21 LYS HB3 2.855 . 3.910 2.856 2.371 3.935 0.025 6 0 "[ . 1 . 2]" 1
201 1 18 LYS HA 1 18 LYS HD2 3.595 . 5.390 4.193 2.217 4.888 . 0 0 "[ . 1 . 2]" 1
202 1 18 LYS HA 1 18 LYS HD3 3.595 . 5.390 4.222 1.983 5.483 0.093 3 0 "[ . 1 . 2]" 1
203 1 17 GLU HB2 1 18 LYS H 2.995 . 4.190 3.139 2.207 3.976 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLU HB3 1 18 LYS H 2.995 . 4.190 3.513 2.049 4.216 0.026 7 0 "[ . 1 . 2]" 1
205 1 16 LYS HB2 1 18 LYS H 3.445 . 5.090 4.551 3.738 5.135 0.045 20 0 "[ . 1 . 2]" 1
206 1 16 LYS HB3 1 18 LYS H 3.445 . 5.090 3.375 2.625 4.362 . 0 0 "[ . 1 . 2]" 1
207 1 18 LYS H 1 18 LYS HB2 2.745 . 3.690 2.629 2.388 3.646 . 0 0 "[ . 1 . 2]" 1
208 1 18 LYS H 1 18 LYS HB3 2.745 . 3.690 3.143 2.480 3.653 . 0 0 "[ . 1 . 2]" 1
209 1 18 LYS H 1 18 LYS HD2 3.650 . 5.500 4.357 2.512 5.023 . 0 0 "[ . 1 . 2]" 1
210 1 18 LYS H 1 18 LYS HD3 3.650 . 5.500 4.507 2.885 5.032 . 0 0 "[ . 1 . 2]" 1
211 1 18 LYS H 1 19 ALA MB 3.110 . 4.420 4.335 4.190 4.428 0.008 3 0 "[ . 1 . 2]" 1
212 1 17 GLU HG2 1 18 LYS H 3.310 . 4.820 4.178 2.442 4.870 0.050 3 0 "[ . 1 . 2]" 1
213 1 17 GLU HG3 1 18 LYS H 3.310 . 4.820 3.805 1.841 4.841 0.021 20 0 "[ . 1 . 2]" 1
214 1 38 TYR QD 1 43 VAL MG1 3.285 . 4.770 4.107 3.473 4.731 . 0 0 "[ . 1 . 2]" 1
215 1 38 TYR QD 1 43 VAL MG2 3.285 . 4.770 3.199 3.041 3.516 . 0 0 "[ . 1 . 2]" 1
216 1 18 LYS HB2 1 19 ALA H 2.970 . 4.140 3.230 2.382 4.061 . 0 0 "[ . 1 . 2]" 1
217 1 18 LYS HB3 1 19 ALA H 2.970 . 4.140 3.340 2.535 4.029 . 0 0 "[ . 1 . 2]" 1
218 1 16 LYS HA 1 19 ALA H 3.405 . 5.010 4.614 4.218 5.018 0.008 17 0 "[ . 1 . 2]" 1
219 1 19 ALA MB 1 20 CYS H 2.590 . 3.380 2.405 2.254 2.630 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLU HA 1 20 CYS H 3.085 . 4.370 3.579 3.207 4.052 . 0 0 "[ . 1 . 2]" 1
221 1 21 LYS HB2 1 21 LYS HE2 3.495 . 5.190 4.143 2.038 4.830 . 0 0 "[ . 1 . 2]" 1
222 1 21 LYS HB2 1 21 LYS HE3 3.495 . 5.190 4.176 1.968 4.751 . 0 0 "[ . 1 . 2]" 1
223 1 21 LYS H 1 34 GLY HA3 3.250 . 4.700 4.032 3.410 4.713 0.013 18 0 "[ . 1 . 2]" 1
224 1 19 ALA MB 1 22 SER H 3.205 . 4.610 4.555 4.425 4.645 0.035 17 0 "[ . 1 . 2]" 1
225 1 21 LYS HB3 1 22 SER H 2.625 . 3.450 2.731 2.318 3.402 . 0 0 "[ . 1 . 2]" 1
226 1 19 ALA HA 1 22 SER H 2.860 . 3.920 3.479 3.112 3.691 . 0 0 "[ . 1 . 2]" 1
227 1 12 VAL MG1 1 19 ALA MB 2.990 . 4.180 3.072 2.144 4.205 0.025 20 0 "[ . 1 . 2]" 1
228 1 12 VAL MG2 1 19 ALA MB 2.990 . 4.180 3.493 2.435 4.224 0.044 12 0 "[ . 1 . 2]" 1
229 1 12 VAL MG1 1 45 CYS HB2 3.650 . 5.500 3.603 1.945 4.920 . 0 0 "[ . 1 . 2]" 1
230 1 12 VAL MG2 1 45 CYS HB2 3.650 . 5.500 3.102 1.909 4.917 . 0 0 "[ . 1 . 2]" 1
231 1 23 VAL HA 1 23 VAL MG1 2.570 . 3.340 2.527 2.342 3.244 . 0 0 "[ . 1 . 2]" 1
232 1 23 VAL HA 1 23 VAL MG2 2.570 . 3.340 2.396 2.309 3.202 . 0 0 "[ . 1 . 2]" 1
233 1 24 CYS H 1 24 CYS HB3 2.710 . 3.620 3.519 2.380 3.601 . 0 0 "[ . 1 . 2]" 1
234 1 19 ALA HA 1 23 VAL H 3.165 . 4.530 3.922 3.649 4.165 . 0 0 "[ . 1 . 2]" 1
235 1 23 VAL MG1 1 26 GLU H 3.475 . 5.150 4.416 3.979 4.924 . 0 0 "[ . 1 . 2]" 1
236 1 23 VAL MG2 1 26 GLU H 3.475 . 5.150 4.985 4.364 5.182 0.032 5 0 "[ . 1 . 2]" 1
237 1 23 VAL HA 1 26 GLU H 2.760 . 3.720 3.235 2.984 3.432 . 0 0 "[ . 1 . 2]" 1
238 1 23 VAL HA 1 25 LYS H 3.375 . 4.950 4.164 3.746 4.426 . 0 0 "[ . 1 . 2]" 1
239 1 38 TYR HA 1 39 HIS H 2.595 . 3.390 2.085 1.998 2.164 . 0 0 "[ . 1 . 2]" 1
240 1 38 TYR QD 1 39 HIS H 3.130 . 4.460 4.222 3.837 4.515 0.055 18 0 "[ . 1 . 2]" 1
241 1 24 CYS H 1 26 GLU H 3.225 . 4.650 4.024 3.883 4.189 . 0 0 "[ . 1 . 2]" 1
242 1 24 CYS HB2 1 25 LYS H 2.905 . 4.010 2.995 2.693 3.867 . 0 0 "[ . 1 . 2]" 1
243 1 24 CYS HB3 1 25 LYS H 2.905 . 4.010 3.590 2.493 3.915 . 0 0 "[ . 1 . 2]" 1
244 1 25 LYS HA 1 31 ALA MB 2.675 . 3.550 2.658 2.160 3.192 . 0 0 "[ . 1 . 2]" 1
245 1 25 LYS H 1 25 LYS HG2 3.100 . 4.400 3.476 2.356 4.175 . 0 0 "[ . 1 . 2]" 1
246 1 25 LYS H 1 25 LYS HG3 3.100 . 4.400 2.793 2.284 4.253 . 0 0 "[ . 1 . 2]" 1
247 1 25 LYS H 1 31 ALA MB 3.330 . 4.860 3.782 3.186 4.115 . 0 0 "[ . 1 . 2]" 1
248 1 25 LYS H 1 25 LYS HB2 2.780 . 3.760 2.455 2.348 2.541 . 0 0 "[ . 1 . 2]" 1
249 1 25 LYS HB2 1 26 GLU H 2.945 . 4.090 3.123 2.587 4.004 . 0 0 "[ . 1 . 2]" 1
250 1 25 LYS H 1 25 LYS HB3 2.780 . 3.760 3.554 2.283 3.657 . 0 0 "[ . 1 . 2]" 1
251 1 25 LYS HB3 1 26 GLU H 2.945 . 4.090 3.859 2.764 4.106 0.016 9 0 "[ . 1 . 2]" 1
252 1 21 LYS HA 1 25 LYS H 3.410 . 5.020 4.457 4.112 4.903 . 0 0 "[ . 1 . 2]" 1
253 1 22 SER HA 1 25 LYS H 2.975 . 4.150 3.547 3.277 3.889 . 0 0 "[ . 1 . 2]" 1
254 1 26 GLU H 1 28 TYR H 3.185 . 4.570 3.852 3.493 4.177 . 0 0 "[ . 1 . 2]" 1
255 1 26 GLU H 1 27 HIS HD2 3.480 . 5.160 4.023 3.765 4.356 . 0 0 "[ . 1 . 2]" 1
256 1 27 HIS H 1 27 HIS HB2 2.795 . 3.790 2.436 2.330 2.537 . 0 0 "[ . 1 . 2]" 1
257 1 27 HIS H 1 27 HIS HB3 2.795 . 3.790 3.647 3.595 3.723 . 0 0 "[ . 1 . 2]" 1
258 1 23 VAL HA 1 27 HIS H 3.340 . 4.880 4.149 3.684 4.333 . 0 0 "[ . 1 . 2]" 1
259 1 24 CYS HA 1 27 HIS H 3.195 . 4.590 3.385 3.179 3.689 . 0 0 "[ . 1 . 2]" 1
260 1 25 LYS HA 1 27 HIS H 3.390 . 4.980 4.346 4.020 4.638 . 0 0 "[ . 1 . 2]" 1
261 1 21 LYS HA 1 33 LYS HA 3.225 . 4.650 3.965 3.425 4.665 0.015 18 0 "[ . 1 . 2]" 1
262 1 28 TYR H 1 31 ALA MB 3.070 . 4.340 3.614 3.241 3.898 . 0 0 "[ . 1 . 2]" 1
263 1 25 LYS HA 1 28 TYR H 3.010 . 4.220 3.488 3.114 4.180 . 0 0 "[ . 1 . 2]" 1
264 1 30 HIS H 1 31 ALA MB 3.175 . 4.550 4.025 3.796 4.298 . 0 0 "[ . 1 . 2]" 1
265 1 28 TYR HB2 1 31 ALA H 3.120 . 4.440 3.267 2.728 3.626 . 0 0 "[ . 1 . 2]" 1
266 1 28 TYR HB3 1 31 ALA H 3.120 . 4.440 3.523 3.045 4.123 . 0 0 "[ . 1 . 2]" 1
267 1 7 LEU MD1 1 32 CYS H 3.050 . 4.300 4.033 3.747 4.341 0.041 8 0 "[ . 1 . 2]" 1
268 1 32 CYS H 1 49 GLY HA3 2.875 . 3.950 3.306 2.670 3.816 . 0 0 "[ . 1 . 2]" 1
269 1 33 LYS H 1 49 GLY HA3 3.475 . 5.150 4.730 4.241 5.209 0.059 12 0 "[ . 1 . 2]" 1
270 1 31 ALA HA 1 33 LYS H 3.050 . 4.300 3.634 3.166 4.303 0.003 13 0 "[ . 1 . 2]" 1
271 1 33 LYS H 1 49 GLY HA2 3.475 . 5.150 4.000 3.693 4.634 . 0 0 "[ . 1 . 2]" 1
272 1 33 LYS H 1 48 TYR H 2.890 . 3.980 3.306 3.049 3.600 . 0 0 "[ . 1 . 2]" 1
273 1 41 ARG H 1 41 ARG HB3 2.830 . 3.860 3.241 2.340 3.852 . 0 0 "[ . 1 . 2]" 1
274 1 41 ARG H 1 41 ARG HG2 3.615 . 5.430 3.998 2.496 4.911 . 0 0 "[ . 1 . 2]" 1
275 1 41 ARG H 1 41 ARG HG3 3.615 . 5.430 3.570 2.165 4.706 . 0 0 "[ . 1 . 2]" 1
276 1 41 ARG H 1 41 ARG HB2 2.830 . 3.860 2.681 2.435 3.145 . 0 0 "[ . 1 . 2]" 1
277 1 29 HIS HB2 1 30 HIS HD2 3.650 . 5.500 3.504 2.139 5.267 . 0 0 "[ . 1 . 2]" 1
278 1 29 HIS HB3 1 30 HIS HD2 3.650 . 5.500 4.644 3.466 5.525 0.025 2 0 "[ . 1 . 2]" 1
279 1 39 HIS H 1 40 GLY H 2.980 . 4.160 3.856 3.466 4.145 . 0 0 "[ . 1 . 2]" 1
280 1 37 GLU H 1 43 VAL MG2 3.345 . 4.890 2.744 2.484 3.002 . 0 0 "[ . 1 . 2]" 1
281 1 24 CYS H 1 24 CYS HB2 2.710 . 3.620 2.378 2.317 2.465 . 0 0 "[ . 1 . 2]" 1
282 1 41 ARG HG2 1 42 GLU H 3.650 . 5.500 4.615 3.522 5.377 . 0 0 "[ . 1 . 2]" 1
283 1 41 ARG HG3 1 42 GLU H 3.650 . 5.500 4.426 3.417 5.239 . 0 0 "[ . 1 . 2]" 1
284 1 42 GLU H 1 42 GLU HG2 3.310 . 4.820 3.078 1.909 4.632 . 0 0 "[ . 1 . 2]" 1
285 1 42 GLU H 1 42 GLU HG3 3.310 . 4.820 3.604 2.340 4.705 . 0 0 "[ . 1 . 2]" 1
286 1 42 GLU H 1 43 VAL H 3.390 . 4.980 4.438 4.182 4.587 . 0 0 "[ . 1 . 2]" 1
287 1 15 CYS HB2 1 43 VAL MG1 3.015 . 4.230 2.710 1.995 3.714 . 0 0 "[ . 1 . 2]" 1
288 1 15 CYS HB3 1 43 VAL MG1 3.015 . 4.230 3.129 2.098 4.260 0.030 8 0 "[ . 1 . 2]" 1
289 1 43 VAL HA 1 43 VAL MG1 2.770 . 3.740 3.230 3.217 3.251 . 0 0 "[ . 1 . 2]" 1
290 1 43 VAL MG1 1 44 HIS H 2.925 . 4.050 3.898 3.675 4.082 0.032 18 0 "[ . 1 . 2]" 1
291 1 43 VAL H 1 43 VAL MG1 2.875 . 3.950 2.167 1.992 2.471 . 0 0 "[ . 1 . 2]" 1
292 1 43 VAL MG2 1 44 HIS H 2.925 . 4.050 2.615 2.226 3.010 . 0 0 "[ . 1 . 2]" 1
293 1 43 VAL H 1 43 VAL MG2 2.875 . 3.950 3.845 3.725 3.952 0.002 6 0 "[ . 1 . 2]" 1
294 1 43 VAL HB 1 44 HIS H 3.170 . 4.540 4.184 4.001 4.367 . 0 0 "[ . 1 . 2]" 1
295 1 43 VAL H 1 43 VAL HB 2.760 . 3.720 2.919 2.402 3.403 . 0 0 "[ . 1 . 2]" 1
296 1 44 HIS H 1 44 HIS HD2 3.285 . 4.770 3.574 2.340 4.822 0.052 12 0 "[ . 1 . 2]" 1
297 1 44 HIS HB3 1 45 CYS H 3.015 . 4.230 2.898 2.381 3.515 . 0 0 "[ . 1 . 2]" 1
298 1 44 HIS HB2 1 45 CYS H 3.015 . 4.230 3.968 3.686 4.300 0.070 8 0 "[ . 1 . 2]" 1
299 1 45 CYS H 1 45 CYS HB3 2.900 . 4.000 2.741 2.266 3.575 . 0 0 "[ . 1 . 2]" 1
300 1 45 CYS H 1 45 CYS HB2 2.900 . 4.000 2.602 2.187 3.067 . 0 0 "[ . 1 . 2]" 1
301 1 12 VAL H 1 45 CYS H 3.650 . 5.500 3.870 3.201 4.613 . 0 0 "[ . 1 . 2]" 1
302 1 44 HIS HD2 1 45 CYS H 3.650 . 5.500 4.839 3.427 5.567 0.067 14 0 "[ . 1 . 2]" 1
303 1 45 CYS HB3 1 46 HIS H 3.255 . 4.710 4.073 3.268 4.451 . 0 0 "[ . 1 . 2]" 1
304 1 46 HIS H 1 46 HIS HB3 2.930 . 4.060 3.606 3.548 3.669 . 0 0 "[ . 1 . 2]" 1
305 1 46 HIS H 1 46 HIS HB2 2.930 . 4.060 2.406 2.344 2.485 . 0 0 "[ . 1 . 2]" 1
306 1 45 CYS HB2 1 46 HIS H 3.255 . 4.710 4.378 4.246 4.492 . 0 0 "[ . 1 . 2]" 1
307 1 46 HIS H 1 46 HIS HD2 3.225 . 4.650 3.796 2.911 4.657 0.007 6 0 "[ . 1 . 2]" 1
308 1 6 PHE QD 1 46 HIS H 3.650 . 5.500 5.541 5.502 5.571 0.071 2 0 "[ . 1 . 2]" 1
309 1 37 GLU H 1 46 HIS H 3.545 . 5.290 3.802 3.255 4.162 . 0 0 "[ . 1 . 2]" 1
310 1 7 LEU HG 1 49 GLY H 2.755 . 3.710 2.685 2.427 3.075 . 0 0 "[ . 1 . 2]" 1
311 1 7 LEU MD2 1 49 GLY H 2.980 . 4.160 3.411 2.793 3.876 . 0 0 "[ . 1 . 2]" 1
312 1 7 LEU MD1 1 49 GLY H 2.940 . 4.080 3.538 3.253 3.855 . 0 0 "[ . 1 . 2]" 1
313 1 50 ASP H 1 51 TYR H 3.395 . 4.990 4.248 4.058 4.402 . 0 0 "[ . 1 . 2]" 1
314 1 31 ALA MB 1 47 CYS HA 3.300 . 4.800 3.639 3.246 3.896 . 0 0 "[ . 1 . 2]" 1
315 1 47 CYS H 1 47 CYS HB2 2.685 . 3.570 2.459 2.349 2.503 . 0 0 "[ . 1 . 2]" 1
316 1 47 CYS H 1 47 CYS HB3 2.920 . 4.040 3.592 3.557 3.635 . 0 0 "[ . 1 . 2]" 1
317 1 46 HIS HB3 1 47 CYS H 3.335 . 4.870 3.368 3.019 3.594 . 0 0 "[ . 1 . 2]" 1
318 1 46 HIS HB2 1 47 CYS H 3.335 . 4.870 4.260 4.123 4.386 . 0 0 "[ . 1 . 2]" 1
319 1 9 GLU HA 1 47 CYS H 2.885 . 3.970 2.955 2.446 3.675 . 0 0 "[ . 1 . 2]" 1
320 1 46 HIS HA 1 47 CYS H 2.435 . 3.070 2.054 1.970 2.148 . 0 0 "[ . 1 . 2]" 1
321 1 46 HIS HD2 1 47 CYS H 3.175 . 4.550 4.215 3.376 4.599 0.049 8 0 "[ . 1 . 2]" 1
322 1 7 LEU HG 1 48 TYR HA 2.950 . 4.100 3.220 2.717 3.771 . 0 0 "[ . 1 . 2]" 1
323 1 7 LEU MD1 1 48 TYR H 3.270 . 4.740 4.639 4.359 4.777 0.037 18 0 "[ . 1 . 2]" 1
324 1 31 ALA MB 1 48 TYR H 2.960 . 4.120 3.524 3.022 4.048 . 0 0 "[ . 1 . 2]" 1
325 1 47 CYS HB2 1 48 TYR H 3.155 . 4.510 4.209 4.095 4.338 . 0 0 "[ . 1 . 2]" 1
326 1 48 TYR H 1 48 TYR HB2 2.935 . 4.070 2.534 2.349 2.678 . 0 0 "[ . 1 . 2]" 1
327 1 48 TYR H 1 48 TYR HB3 2.935 . 4.070 3.674 3.586 3.742 . 0 0 "[ . 1 . 2]" 1
328 1 47 CYS HB3 1 48 TYR H 2.940 . 4.080 3.429 3.231 3.709 . 0 0 "[ . 1 . 2]" 1
329 1 34 GLY HA3 1 48 TYR H 3.340 . 4.880 4.347 3.928 4.760 . 0 0 "[ . 1 . 2]" 1
330 1 32 CYS H 1 48 TYR H 3.400 . 5.000 4.263 3.819 4.609 . 0 0 "[ . 1 . 2]" 1
331 1 48 TYR H 1 49 GLY H 3.405 . 5.010 4.419 4.351 4.492 . 0 0 "[ . 1 . 2]" 1
332 1 31 ALA HA 1 49 GLY H 3.360 . 4.920 4.330 3.945 4.655 . 0 0 "[ . 1 . 2]" 1
333 1 36 CYS H 1 36 CYS HB3 2.850 . 3.900 3.435 2.509 3.646 . 0 0 "[ . 1 . 2]" 1
334 1 35 GLU HB2 1 36 CYS H 3.060 . 4.320 4.033 2.803 4.339 0.019 2 0 "[ . 1 . 2]" 1
335 1 35 GLU HB3 1 36 CYS H 3.060 . 4.320 3.518 2.710 4.184 . 0 0 "[ . 1 . 2]" 1
336 1 36 CYS H 1 36 CYS HB2 2.850 . 3.900 2.466 2.309 2.545 . 0 0 "[ . 1 . 2]" 1
337 1 35 GLU HA 1 36 CYS H 2.360 . 2.920 2.166 2.059 2.234 . 0 0 "[ . 1 . 2]" 1
338 1 10 ALA HA 1 11 PRO HG2 3.230 . 4.660 4.473 4.309 4.668 0.008 4 0 "[ . 1 . 2]" 1
339 1 10 ALA HA 1 11 PRO HG3 3.230 . 4.660 4.350 4.269 4.440 . 0 0 "[ . 1 . 2]" 1
340 1 37 GLU H 1 43 VAL MG1 3.345 . 4.890 4.946 4.903 4.995 0.105 18 0 "[ . 1 . 2]" 1
341 1 36 CYS HA 1 37 GLU H 2.430 . 3.060 2.140 1.998 2.258 . 0 0 "[ . 1 . 2]" 1
342 1 37 GLU H 1 44 HIS H 2.865 . 3.930 3.091 2.753 3.578 . 0 0 "[ . 1 . 2]" 1
343 1 36 CYS H 1 37 GLU H 3.365 . 4.930 4.375 4.166 4.539 . 0 0 "[ . 1 . 2]" 1
344 1 38 TYR H 1 38 TYR HB2 2.810 . 3.820 2.391 2.313 2.473 . 0 0 "[ . 1 . 2]" 1
345 1 38 TYR H 1 38 TYR HB3 2.810 . 3.820 3.604 3.557 3.653 . 0 0 "[ . 1 . 2]" 1
346 1 37 GLU HA 1 38 TYR H 2.605 . 3.410 2.177 2.014 2.365 . 0 0 "[ . 1 . 2]" 1
347 1 38 TYR H 1 38 TYR QD 2.785 . 3.770 2.535 2.273 2.927 . 0 0 "[ . 1 . 2]" 1
348 1 38 TYR H 1 39 HIS H 3.200 . 4.600 4.291 4.120 4.498 . 0 0 "[ . 1 . 2]" 1
349 1 13 TYR QD 1 15 CYS H 3.390 . 4.980 3.737 2.886 5.014 0.034 3 0 "[ . 1 . 2]" 1
350 1 16 LYS H 1 20 CYS H 2.935 . 4.070 3.492 2.971 3.814 . 0 0 "[ . 1 . 2]" 1
351 1 19 ALA H 1 22 SER H 3.400 . 5.000 4.675 4.490 4.837 . 0 0 "[ . 1 . 2]" 1
352 1 27 HIS HD2 1 28 TYR QE 3.650 . 5.500 5.500 5.152 5.545 0.045 4 0 "[ . 1 . 2]" 1
353 1 34 GLY HA2 1 48 TYR QD 3.165 . 4.530 2.917 2.320 3.587 . 0 0 "[ . 1 . 2]" 1
354 1 47 CYS HA 1 48 TYR QD 2.970 . 4.140 3.771 3.400 4.156 0.016 15 0 "[ . 1 . 2]" 1
355 1 34 GLY HA2 1 48 TYR H 3.125 . 4.450 2.988 2.640 3.341 . 0 0 "[ . 1 . 2]" 1
356 1 44 HIS HA 1 44 HIS HD2 3.085 . 4.370 2.953 2.048 3.641 . 0 0 "[ . 1 . 2]" 1
357 1 9 GLU HA 1 46 HIS HD2 3.025 . 4.250 3.255 2.414 4.267 0.017 19 0 "[ . 1 . 2]" 1
358 1 10 ALA HA 1 28 TYR QE 3.510 . 5.220 3.976 3.223 4.944 . 0 0 "[ . 1 . 2]" 1
359 1 28 TYR HA 1 28 TYR QE 3.370 . 4.940 4.768 4.692 4.903 . 0 0 "[ . 1 . 2]" 1
360 1 24 CYS HA 1 28 TYR QE 3.100 . 4.400 4.100 3.541 4.422 0.022 18 0 "[ . 1 . 2]" 1
361 1 4 ASP HA 1 48 TYR QD 2.915 . 4.030 3.265 2.338 3.933 . 0 0 "[ . 1 . 2]" 1
362 1 33 LYS HA 1 48 TYR QD 3.290 . 4.780 4.667 4.218 4.848 0.068 15 0 "[ . 1 . 2]" 1
363 1 24 CYS HA 1 28 TYR QD 2.660 . 3.520 2.880 2.392 3.396 . 0 0 "[ . 1 . 2]" 1
364 1 13 TYR QD 1 14 PRO HA 2.840 . 3.880 2.808 2.316 3.171 . 0 0 "[ . 1 . 2]" 1
365 1 28 TYR QD 1 47 CYS HB2 3.040 . 4.280 3.288 2.782 3.651 . 0 0 "[ . 1 . 2]" 1
366 1 13 TYR QE 1 14 PRO HB3 2.960 . 4.120 4.056 3.611 4.161 0.041 6 0 "[ . 1 . 2]" 1
367 1 28 TYR QE 1 47 CYS HB2 3.135 . 4.470 3.511 2.822 3.995 . 0 0 "[ . 1 . 2]" 1
368 1 38 TYR QE 1 43 VAL HB 3.210 . 4.620 2.979 2.368 3.495 . 0 0 "[ . 1 . 2]" 1
369 1 33 LYS HG2 1 48 TYR QD 3.355 . 4.910 3.102 2.179 4.915 0.005 9 0 "[ . 1 . 2]" 1
370 1 33 LYS HG3 1 48 TYR QD 3.355 . 4.910 3.753 2.100 4.878 . 0 0 "[ . 1 . 2]" 1
371 1 7 LEU MD1 1 31 ALA H 3.045 . 4.290 3.110 2.840 3.482 . 0 0 "[ . 1 . 2]" 1
372 1 7 LEU MD2 1 51 TYR QD 3.300 . 4.800 2.932 1.990 3.959 . 0 0 "[ . 1 . 2]" 1
373 1 7 LEU MD2 1 51 TYR QE 3.315 . 4.830 3.501 1.916 4.851 0.021 15 0 "[ . 1 . 2]" 1
374 1 28 TYR QE 1 31 ALA MB 3.545 . 5.290 4.970 4.288 5.319 0.029 10 0 "[ . 1 . 2]" 1
375 1 10 ALA MB 1 28 TYR QE 2.680 . 3.560 2.783 2.116 3.575 0.015 7 0 "[ . 1 . 2]" 1
376 1 34 GLY HA3 1 47 CYS HA 3.135 . 4.470 3.479 3.073 3.970 . 0 0 "[ . 1 . 2]" 1
377 1 31 ALA HA 1 49 GLY HA2 3.180 . 4.560 3.029 2.285 3.814 . 0 0 "[ . 1 . 2]" 1
378 1 50 ASP HA 1 51 TYR HA 3.130 . 4.460 4.341 4.276 4.426 . 0 0 "[ . 1 . 2]" 1
379 1 9 GLU HA 1 46 HIS HA 2.975 . 4.150 2.558 2.291 2.959 . 0 0 "[ . 1 . 2]" 1
380 1 31 ALA HA 1 49 GLY HA3 3.180 . 4.560 2.351 1.963 3.018 . 0 0 "[ . 1 . 2]" 1
381 1 19 ALA HA 1 22 SER HB2 2.890 . 3.980 3.317 2.436 4.073 0.093 19 0 "[ . 1 . 2]" 1
382 1 19 ALA HA 1 22 SER HB3 2.890 . 3.980 3.176 2.607 4.053 0.073 6 0 "[ . 1 . 2]" 1
383 1 10 ALA MB 1 24 CYS HA 3.080 . 4.360 3.070 2.312 3.854 . 0 0 "[ . 1 . 2]" 1
384 1 12 VAL MG1 1 20 CYS HA 2.660 . 3.520 2.846 1.968 3.534 0.014 9 0 "[ . 1 . 2]" 1
385 1 12 VAL MG2 1 20 CYS HA 2.660 . 3.520 2.446 1.977 3.570 0.050 19 0 "[ . 1 . 2]" 1
386 1 12 VAL MG1 1 45 CYS HB3 3.650 . 5.500 4.269 2.601 5.503 0.003 16 0 "[ . 1 . 2]" 1
387 1 12 VAL MG2 1 45 CYS HB3 3.650 . 5.500 3.495 2.204 5.531 0.031 20 0 "[ . 1 . 2]" 1
388 1 10 ALA MB 1 27 HIS HB2 3.110 . 4.420 3.188 2.513 3.628 . 0 0 "[ . 1 . 2]" 1
389 1 31 ALA MB 1 47 CYS HB3 2.840 . 3.880 2.369 2.120 2.760 . 0 0 "[ . 1 . 2]" 1
390 1 10 ALA MB 1 27 HIS HB3 3.110 . 4.420 3.957 3.365 4.451 0.031 9 0 "[ . 1 . 2]" 1
391 1 9 GLU H 1 46 HIS HA 3.650 . 5.500 5.087 4.768 5.545 0.045 5 0 "[ . 1 . 2]" 1
392 1 2 HIS QB 1 3 CYS H 3.005 . 4.210 3.048 1.970 3.818 . 0 0 "[ . 1 . 2]" 1
393 1 3 CYS H 1 3 CYS QB 2.600 . 3.400 2.468 2.355 2.757 . 0 0 "[ . 1 . 2]" 1
394 1 3 CYS QB 1 5 HIS H 3.565 . 5.330 4.634 3.170 5.354 0.024 9 0 "[ . 1 . 2]" 1
395 1 4 ASP H 1 4 ASP QB 2.640 . 3.480 2.619 2.289 3.136 . 0 0 "[ . 1 . 2]" 1
396 1 4 ASP HA 1 48 TYR QB 3.065 . 4.330 3.300 2.298 4.192 . 0 0 "[ . 1 . 2]" 1
397 1 5 HIS H 1 48 TYR QB 3.570 . 5.340 3.669 2.911 4.355 . 0 0 "[ . 1 . 2]" 1
398 1 5 HIS QB 1 49 GLY H 3.010 . 4.220 3.278 2.755 4.227 0.007 5 0 "[ . 1 . 2]" 1
399 1 6 PHE H 1 6 PHE QB 2.470 . 3.140 2.331 2.166 2.489 . 0 0 "[ . 1 . 2]" 1
400 1 6 PHE QB 1 7 LEU H 3.000 . 4.200 3.490 3.025 3.930 . 0 0 "[ . 1 . 2]" 1
401 1 6 PHE QD 1 46 HIS QB 2.685 . 3.570 2.099 1.936 2.303 . 0 0 "[ . 1 . 2]" 1
402 1 6 PHE QE 1 46 HIS QB 2.930 . 4.060 2.485 2.052 3.252 . 0 0 "[ . 1 . 2]" 1
403 1 7 LEU QB 1 28 TYR QE 3.350 . 4.900 3.661 3.273 4.085 . 0 0 "[ . 1 . 2]" 1
404 1 7 LEU QB 1 47 CYS HB2 2.815 . 3.830 2.756 2.293 3.028 . 0 0 "[ . 1 . 2]" 1
405 1 7 LEU QB 1 47 CYS HB3 2.880 . 3.960 3.422 2.938 3.685 . 0 0 "[ . 1 . 2]" 1
406 1 7 LEU MD2 1 49 GLY QA 2.885 . 3.970 3.083 2.087 3.714 . 0 0 "[ . 1 . 2]" 1
407 1 8 GLY QA 1 28 TYR QE 2.830 . 3.860 2.952 2.641 3.059 . 0 0 "[ . 1 . 2]" 1
408 1 9 GLU H 1 9 GLU QG 2.980 . 4.160 2.654 2.025 4.064 . 0 0 "[ . 1 . 2]" 1
409 1 9 GLU QB 1 10 ALA H 2.940 . 4.080 2.944 2.425 3.798 . 0 0 "[ . 1 . 2]" 1
410 1 9 GLU QG 1 46 HIS HD2 3.065 . 4.330 3.396 2.064 4.369 0.039 9 0 "[ . 1 . 2]" 1
411 1 10 ALA H 1 45 CYS QB 2.910 . 4.020 2.861 2.446 3.326 . 0 0 "[ . 1 . 2]" 1
412 1 10 ALA MB 1 11 PRO QG 2.945 . 4.090 4.067 3.890 4.145 0.055 12 0 "[ . 1 . 2]" 1
413 1 10 ALA MB 1 11 PRO QD 2.465 . 3.130 2.514 2.255 2.673 . 0 0 "[ . 1 . 2]" 1
414 1 10 ALA MB 1 23 VAL QG 2.440 . 3.080 2.183 1.857 2.774 . 0 0 "[ . 1 . 2]" 1
415 1 11 PRO HA 1 12 VAL QG 3.340 . 4.880 3.715 3.544 3.875 . 0 0 "[ . 1 . 2]" 1
416 1 11 PRO QB 1 12 VAL H 2.790 . 3.780 3.531 3.075 3.790 0.010 9 0 "[ . 1 . 2]" 1
417 1 11 PRO QG 1 27 HIS HE1 3.000 . 4.200 3.526 2.808 4.231 0.031 10 0 "[ . 1 . 2]" 1
418 1 11 PRO QD 1 27 HIS HE1 2.970 . 4.140 2.982 2.487 3.628 . 0 0 "[ . 1 . 2]" 1
419 1 12 VAL H 1 12 VAL QG 2.895 . 3.990 2.581 2.249 2.849 . 0 0 "[ . 1 . 2]" 1
420 1 12 VAL H 1 23 VAL QG 3.620 . 5.440 4.620 4.060 5.104 . 0 0 "[ . 1 . 2]" 1
421 1 12 VAL H 1 45 CYS QB 3.340 . 4.880 3.796 3.052 4.932 0.052 18 0 "[ . 1 . 2]" 1
422 1 12 VAL HA 1 12 VAL QG 2.455 . 3.110 2.239 2.141 2.434 . 0 0 "[ . 1 . 2]" 1
423 1 12 VAL HA 1 13 TYR QB 3.290 . 4.780 4.148 4.009 4.317 . 0 0 "[ . 1 . 2]" 1
424 1 12 VAL QG 1 13 TYR H 2.880 . 3.960 2.945 2.242 3.607 . 0 0 "[ . 1 . 2]" 1
425 1 12 VAL QG 1 15 CYS H 3.315 . 4.830 4.256 3.719 4.777 . 0 0 "[ . 1 . 2]" 1
426 1 12 VAL QG 1 15 CYS QB 3.170 . 4.540 3.220 2.195 4.417 . 0 0 "[ . 1 . 2]" 1
427 1 12 VAL QG 1 16 LYS H 3.085 . 4.370 3.120 2.536 3.850 . 0 0 "[ . 1 . 2]" 1
428 1 12 VAL QG 1 19 ALA MB 2.635 . 3.470 2.572 2.131 3.471 0.001 10 0 "[ . 1 . 2]" 1
429 1 12 VAL QG 1 20 CYS H 3.155 . 4.510 3.324 2.787 3.971 . 0 0 "[ . 1 . 2]" 1
430 1 12 VAL QG 1 20 CYS QB 3.180 . 4.560 2.945 2.433 3.459 . 0 0 "[ . 1 . 2]" 1
431 1 12 VAL QG 1 23 VAL QG 2.515 . 3.230 1.897 1.768 2.201 0.032 13 0 "[ . 1 . 2]" 1
432 1 12 VAL QG 1 45 CYS H 3.305 . 4.810 3.584 2.808 4.406 . 0 0 "[ . 1 . 2]" 1
433 1 12 VAL QG 1 45 CYS QB 2.505 . 3.210 2.291 1.858 3.295 0.085 18 0 "[ . 1 . 2]" 1
434 1 13 TYR H 1 13 TYR QB 2.570 . 3.340 2.746 2.614 2.867 . 0 0 "[ . 1 . 2]" 1
435 1 15 CYS H 1 15 CYS QB 2.415 . 3.030 2.300 2.180 2.457 . 0 0 "[ . 1 . 2]" 1
436 1 15 CYS H 1 43 VAL QG 3.355 . 4.910 3.480 2.608 4.937 0.027 18 0 "[ . 1 . 2]" 1
437 1 15 CYS QB 1 43 VAL QG 2.455 . 3.110 2.279 1.845 3.118 0.008 18 0 "[ . 1 . 2]" 1
438 1 16 LYS H 1 16 LYS QG 3.200 . 4.600 3.871 3.061 4.316 . 0 0 "[ . 1 . 2]" 1
439 1 16 LYS H 1 16 LYS QD 2.920 . 4.040 3.639 2.344 4.221 0.181 15 0 "[ . 1 . 2]" 1
440 1 16 LYS HA 1 16 LYS QG 2.700 . 3.600 2.708 2.456 3.046 . 0 0 "[ . 1 . 2]" 1
441 1 16 LYS HA 1 16 LYS QD 2.700 . 3.600 2.243 1.810 2.933 . 0 0 "[ . 1 . 2]" 1
442 1 16 LYS QB 1 16 LYS QD 2.270 . 2.740 2.299 2.196 2.631 . 0 0 "[ . 1 . 2]" 1
443 1 16 LYS QB 1 17 GLU H 2.700 . 3.600 3.052 2.280 3.724 0.124 15 0 "[ . 1 . 2]" 1
444 1 16 LYS QB 1 18 LYS H 3.010 . 4.220 3.280 2.577 4.132 . 0 0 "[ . 1 . 2]" 1
445 1 16 LYS QB 1 19 ALA H 2.975 . 4.150 2.467 2.035 3.005 . 0 0 "[ . 1 . 2]" 1
446 1 16 LYS QB 1 20 CYS H 3.210 . 4.620 3.754 3.377 4.154 . 0 0 "[ . 1 . 2]" 1
447 1 16 LYS QG 1 17 GLU H 3.000 . 4.200 3.351 2.244 4.276 0.076 16 0 "[ . 1 . 2]" 1
448 1 16 LYS QD 1 17 GLU H 3.205 . 4.610 3.597 2.344 4.771 0.161 10 0 "[ . 1 . 2]" 1
449 1 17 GLU H 1 17 GLU QB 2.410 . 3.020 2.527 2.080 2.837 . 0 0 "[ . 1 . 2]" 1
450 1 17 GLU H 1 17 GLU QG 2.805 . 3.810 2.647 1.956 3.911 0.101 14 0 "[ . 1 . 2]" 1
451 1 17 GLU HA 1 17 GLU QG 2.700 . 3.600 2.862 2.251 3.508 . 0 0 "[ . 1 . 2]" 1
452 1 17 GLU HA 1 20 CYS QB 2.795 . 3.790 2.646 2.200 3.384 . 0 0 "[ . 1 . 2]" 1
453 1 17 GLU QB 1 18 LYS H 2.670 . 3.540 2.763 2.035 3.477 . 0 0 "[ . 1 . 2]" 1
454 1 18 LYS H 1 18 LYS QB 2.435 . 3.070 2.400 2.240 2.561 . 0 0 "[ . 1 . 2]" 1
455 1 18 LYS H 1 18 LYS QG 3.070 . 4.340 2.921 2.085 4.035 . 0 0 "[ . 1 . 2]" 1
456 1 18 LYS HA 1 18 LYS QD 3.205 . 4.610 3.696 1.949 4.456 . 0 0 "[ . 1 . 2]" 1
457 1 18 LYS QB 1 19 ALA H 2.635 . 3.470 2.712 2.345 3.490 0.020 20 0 "[ . 1 . 2]" 1
458 1 19 ALA HA 1 23 VAL QG 3.235 . 4.670 3.652 3.083 4.673 0.003 3 0 "[ . 1 . 2]" 1
459 1 19 ALA MB 1 20 CYS QB 3.295 . 4.790 3.761 3.571 4.107 . 0 0 "[ . 1 . 2]" 1
460 1 19 ALA MB 1 23 VAL QG 3.095 . 4.390 3.180 2.735 4.005 . 0 0 "[ . 1 . 2]" 1
461 1 20 CYS H 1 20 CYS QB 2.415 . 3.030 2.198 2.086 2.289 . 0 0 "[ . 1 . 2]" 1
462 1 20 CYS H 1 23 VAL QG 3.325 . 4.850 4.362 3.931 4.625 . 0 0 "[ . 1 . 2]" 1
463 1 20 CYS HA 1 23 VAL QG 2.715 . 3.630 3.107 2.047 3.526 . 0 0 "[ . 1 . 2]" 1
464 1 21 LYS H 1 21 LYS QG 3.150 . 4.500 3.870 2.320 4.011 . 0 0 "[ . 1 . 2]" 1
465 1 21 LYS HA 1 24 CYS QB 3.125 . 4.450 2.726 2.423 3.289 . 0 0 "[ . 1 . 2]" 1
466 1 21 LYS HB2 1 21 LYS QE 3.115 . 4.430 3.619 1.935 4.207 . 0 0 "[ . 1 . 2]" 1
467 1 22 SER H 1 22 SER QB 2.435 . 3.070 2.312 2.154 2.712 . 0 0 "[ . 1 . 2]" 1
468 1 22 SER H 1 23 VAL QG 3.260 . 4.720 4.036 3.595 4.256 . 0 0 "[ . 1 . 2]" 1
469 1 22 SER HA 1 25 LYS QB 3.055 . 4.310 3.119 2.453 3.724 . 0 0 "[ . 1 . 2]" 1
470 1 23 VAL H 1 23 VAL QG 2.415 . 3.030 2.112 1.798 2.199 0.002 13 0 "[ . 1 . 2]" 1
471 1 23 VAL QG 1 24 CYS H 2.585 . 3.370 3.085 2.251 3.374 0.004 14 0 "[ . 1 . 2]" 1
472 1 23 VAL QG 1 24 CYS HA 3.290 . 4.780 3.443 3.172 3.689 . 0 0 "[ . 1 . 2]" 1
473 1 23 VAL QG 1 25 LYS H 3.515 . 5.230 4.530 4.206 4.688 . 0 0 "[ . 1 . 2]" 1
474 1 23 VAL QG 1 26 GLU H 3.125 . 4.450 4.105 3.813 4.291 . 0 0 "[ . 1 . 2]" 1
475 1 23 VAL QG 1 26 GLU QB 2.980 . 4.160 3.179 2.778 3.673 . 0 0 "[ . 1 . 2]" 1
476 1 23 VAL QG 1 27 HIS H 3.205 . 4.610 3.842 3.663 4.334 . 0 0 "[ . 1 . 2]" 1
477 1 23 VAL QG 1 27 HIS HD2 2.595 . 3.390 2.188 1.926 3.086 . 0 0 "[ . 1 . 2]" 1
478 1 24 CYS H 1 24 CYS QB 2.400 . 3.000 2.332 2.156 2.394 . 0 0 "[ . 1 . 2]" 1
479 1 24 CYS QB 1 25 LYS H 2.610 . 3.420 2.812 2.464 3.054 . 0 0 "[ . 1 . 2]" 1
480 1 24 CYS QB 1 31 ALA MB 3.045 . 4.290 2.212 1.860 3.445 . 0 0 "[ . 1 . 2]" 1
481 1 25 LYS H 1 25 LYS QB 2.445 . 3.090 2.403 2.077 2.496 . 0 0 "[ . 1 . 2]" 1
482 1 25 LYS H 1 25 LYS QG 2.685 . 3.570 2.531 2.253 3.753 0.183 19 0 "[ . 1 . 2]" 1
483 1 25 LYS QB 1 25 LYS QE 3.140 . 4.480 2.730 1.881 3.639 . 0 0 "[ . 1 . 2]" 1
484 1 26 GLU H 1 26 GLU QB 2.515 . 3.230 2.410 2.063 2.516 . 0 0 "[ . 1 . 2]" 1
485 1 26 GLU H 1 26 GLU QG 2.725 . 3.650 2.451 2.238 3.778 0.128 11 0 "[ . 1 . 2]" 1
486 1 26 GLU HA 1 26 GLU QG 2.760 . 3.720 2.640 2.314 3.087 . 0 0 "[ . 1 . 2]" 1
487 1 26 GLU QB 1 27 HIS H 2.870 . 3.940 2.629 2.294 3.103 . 0 0 "[ . 1 . 2]" 1
488 1 26 GLU QB 1 27 HIS HD2 2.910 . 4.020 2.796 2.266 3.482 . 0 0 "[ . 1 . 2]" 1
489 1 27 HIS H 1 27 HIS QB 2.500 . 3.200 2.402 2.303 2.497 . 0 0 "[ . 1 . 2]" 1
490 1 27 HIS QB 1 28 TYR H 2.915 . 4.030 2.656 2.249 3.103 . 0 0 "[ . 1 . 2]" 1
491 1 27 HIS QB 1 28 TYR QE 2.890 . 3.980 2.860 2.662 3.070 . 0 0 "[ . 1 . 2]" 1
492 1 28 TYR H 1 28 TYR QB 2.720 . 3.640 2.618 2.508 2.733 . 0 0 "[ . 1 . 2]" 1
493 1 28 TYR QB 1 29 HIS H 2.780 . 3.760 3.299 2.293 3.647 . 0 0 "[ . 1 . 2]" 1
494 1 28 TYR QB 1 31 ALA MB 2.600 . 3.400 2.043 1.812 2.477 . 0 0 "[ . 1 . 2]" 1
495 1 29 HIS H 1 29 HIS QB 2.430 . 3.060 2.457 2.364 2.577 . 0 0 "[ . 1 . 2]" 1
496 1 29 HIS QB 1 30 HIS H 2.890 . 3.980 3.039 2.450 3.395 . 0 0 "[ . 1 . 2]" 1
497 1 30 HIS H 1 30 HIS QB 2.590 . 3.380 2.421 2.292 2.538 . 0 0 "[ . 1 . 2]" 1
498 1 30 HIS QB 1 30 HIS HE1 3.130 . 4.460 4.408 4.357 4.474 0.014 4 0 "[ . 1 . 2]" 1
499 1 30 HIS QB 1 31 ALA H 3.060 . 4.320 3.466 3.278 3.672 . 0 0 "[ . 1 . 2]" 1
500 1 31 ALA HA 1 49 GLY QA 2.760 . 3.720 2.212 1.864 2.818 . 0 0 "[ . 1 . 2]" 1
501 1 32 CYS H 1 33 LYS QB 3.340 . 4.880 3.972 3.579 4.331 . 0 0 "[ . 1 . 2]" 1
502 1 32 CYS H 1 49 GLY QA 2.600 . 3.400 2.592 2.219 3.188 . 0 0 "[ . 1 . 2]" 1
503 1 33 LYS H 1 33 LYS QG 3.305 . 4.810 4.009 3.295 4.293 . 0 0 "[ . 1 . 2]" 1
504 1 33 LYS H 1 48 TYR QB 3.195 . 4.590 3.221 2.630 3.614 . 0 0 "[ . 1 . 2]" 1
505 1 33 LYS H 1 49 GLY QA 3.155 . 4.510 3.774 3.545 4.241 . 0 0 "[ . 1 . 2]" 1
506 1 33 LYS QB 1 48 TYR H 3.200 . 4.600 3.624 3.307 4.198 . 0 0 "[ . 1 . 2]" 1
507 1 33 LYS QB 1 48 TYR QB 2.775 . 3.750 2.098 1.848 2.789 . 0 0 "[ . 1 . 2]" 1
508 1 33 LYS QB 1 48 TYR QD 2.915 . 4.030 2.993 2.149 3.352 . 0 0 "[ . 1 . 2]" 1
509 1 33 LYS QG 1 34 GLY H 2.945 . 4.090 2.725 2.112 3.722 . 0 0 "[ . 1 . 2]" 1
510 1 33 LYS QG 1 48 TYR QB 3.410 . 5.020 3.322 2.738 4.110 . 0 0 "[ . 1 . 2]" 1
511 1 33 LYS QG 1 48 TYR QD 3.000 . 4.200 2.673 2.085 4.210 0.010 10 0 "[ . 1 . 2]" 1
512 1 35 GLU H 1 35 GLU QB 2.655 . 3.510 2.685 2.424 3.278 . 0 0 "[ . 1 . 2]" 1
513 1 35 GLU H 1 35 GLU QG 3.205 . 4.610 3.651 2.375 4.337 . 0 0 "[ . 1 . 2]" 1
514 1 35 GLU H 1 46 HIS QB 3.250 . 4.700 3.359 2.697 3.746 . 0 0 "[ . 1 . 2]" 1
515 1 35 GLU HA 1 36 CYS QB 3.215 . 4.630 4.305 3.700 4.525 . 0 0 "[ . 1 . 2]" 1
516 1 35 GLU QB 1 36 CYS H 2.770 . 3.740 3.253 2.660 3.779 0.039 20 0 "[ . 1 . 2]" 1
517 1 35 GLU QG 1 36 CYS H 3.195 . 4.590 3.401 2.282 4.598 0.008 7 0 "[ . 1 . 2]" 1
518 1 36 CYS H 1 36 CYS QB 2.465 . 3.130 2.394 2.193 2.488 . 0 0 "[ . 1 . 2]" 1
519 1 36 CYS HA 1 37 GLU QG 3.185 . 4.570 3.893 3.499 4.172 . 0 0 "[ . 1 . 2]" 1
520 1 36 CYS QB 1 37 GLU H 3.015 . 4.230 3.352 2.666 3.989 . 0 0 "[ . 1 . 2]" 1
521 1 36 CYS QB 1 43 VAL QG 2.570 . 3.340 2.183 1.797 3.347 0.007 13 0 "[ . 1 . 2]" 1
522 1 37 GLU H 1 37 GLU QB 2.660 . 3.520 2.525 2.354 2.730 . 0 0 "[ . 1 . 2]" 1
523 1 37 GLU H 1 37 GLU QG 2.755 . 3.710 2.926 2.512 3.312 . 0 0 "[ . 1 . 2]" 1
524 1 37 GLU H 1 43 VAL QG 3.035 . 4.270 2.730 2.477 2.978 . 0 0 "[ . 1 . 2]" 1
525 1 37 GLU QB 1 38 TYR H 3.055 . 4.310 3.138 2.428 3.633 . 0 0 "[ . 1 . 2]" 1
526 1 38 TYR H 1 38 TYR QB 2.465 . 3.130 2.359 2.285 2.436 . 0 0 "[ . 1 . 2]" 1
527 1 38 TYR H 1 43 VAL QG 3.295 . 4.790 3.377 3.146 3.907 . 0 0 "[ . 1 . 2]" 1
528 1 38 TYR QD 1 43 VAL QG 2.680 . 3.560 3.086 2.929 3.426 . 0 0 "[ . 1 . 2]" 1
529 1 38 TYR QE 1 43 VAL QG 2.865 . 3.930 2.932 2.544 3.603 . 0 0 "[ . 1 . 2]" 1
530 1 39 HIS H 1 43 VAL QG 3.260 . 4.720 4.056 3.250 4.527 . 0 0 "[ . 1 . 2]" 1
531 1 40 GLY QA 1 41 ARG H 2.335 . 2.870 2.167 2.068 2.380 . 0 0 "[ . 1 . 2]" 1
532 1 41 ARG H 1 41 ARG QB 2.550 . 3.300 2.467 2.219 2.732 . 0 0 "[ . 1 . 2]" 1
533 1 41 ARG H 1 41 ARG QG 3.260 . 4.720 3.205 2.143 4.140 . 0 0 "[ . 1 . 2]" 1
534 1 41 ARG HA 1 41 ARG QG 2.730 . 3.660 2.614 2.385 3.103 . 0 0 "[ . 1 . 2]" 1
535 1 41 ARG QB 1 42 GLU H 3.090 . 4.380 2.644 2.053 3.474 . 0 0 "[ . 1 . 2]" 1
536 1 42 GLU H 1 42 GLU QB 2.565 . 3.330 2.487 2.269 3.087 . 0 0 "[ . 1 . 2]" 1
537 1 42 GLU H 1 42 GLU QG 2.965 . 4.130 2.722 1.891 4.123 . 0 0 "[ . 1 . 2]" 1
538 1 42 GLU QB 1 43 VAL H 2.960 . 4.120 2.689 1.914 3.572 . 0 0 "[ . 1 . 2]" 1
539 1 43 VAL QG 1 44 HIS H 2.665 . 3.530 2.576 2.209 2.936 . 0 0 "[ . 1 . 2]" 1
540 1 44 HIS H 1 44 HIS QB 2.640 . 3.480 2.530 2.402 2.683 . 0 0 "[ . 1 . 2]" 1
541 1 44 HIS QB 1 45 CYS H 2.690 . 3.580 2.825 2.354 3.354 . 0 0 "[ . 1 . 2]" 1
542 1 44 HIS QB 1 46 HIS H 3.570 . 5.340 4.627 4.000 5.045 . 0 0 "[ . 1 . 2]" 1
543 1 45 CYS H 1 45 CYS QB 2.540 . 3.280 2.252 2.142 2.621 . 0 0 "[ . 1 . 2]" 1
544 1 45 CYS QB 1 46 HIS H 2.940 . 4.080 3.717 3.169 3.964 . 0 0 "[ . 1 . 2]" 1
545 1 46 HIS H 1 46 HIS QB 2.605 . 3.410 2.373 2.315 2.447 . 0 0 "[ . 1 . 2]" 1
546 1 46 HIS QB 1 47 CYS H 2.930 . 4.060 3.246 2.949 3.439 . 0 0 "[ . 1 . 2]" 1
547 1 48 TYR H 1 48 TYR QB 2.640 . 3.480 2.491 2.319 2.623 . 0 0 "[ . 1 . 2]" 1
548 1 48 TYR QB 1 49 GLY H 2.700 . 3.600 2.886 2.660 3.111 . 0 0 "[ . 1 . 2]" 1
549 1 50 ASP H 1 50 ASP QB 2.535 . 3.270 2.590 2.261 3.134 . 0 0 "[ . 1 . 2]" 1
550 1 50 ASP QB 1 51 TYR H 2.950 . 4.100 3.516 2.585 3.903 . 0 0 "[ . 1 . 2]" 1
551 1 51 TYR H 1 51 TYR QB 2.530 . 3.260 2.548 2.280 3.066 . 0 0 "[ . 1 . 2]" 1
552 1 52 HIS H 1 52 HIS QB 2.725 . 3.650 2.720 2.293 3.488 . 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 15
_Distance_constraint_stats_list.Viol_count 46
_Distance_constraint_stats_list.Viol_total 27.695
_Distance_constraint_stats_list.Viol_max 0.091
_Distance_constraint_stats_list.Viol_rms 0.0143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0301
_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 5 HIS 0.151 0.041 6 0 "[ . 1 . 2]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 19 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.019 0.018 13 0 "[ . 1 . 2]"
1 23 VAL 0.641 0.071 14 0 "[ . 1 . 2]"
1 24 CYS 0.019 0.018 13 0 "[ . 1 . 2]"
1 27 HIS 0.641 0.071 14 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.573 0.091 18 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 19 0 "[ . 1 . 2]"
1 46 HIS 0.573 0.091 18 0 "[ . 1 . 2]"
1 47 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.151 0.041 6 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 19 ALA O 1 23 VAL H 0.000 . 2.000 1.824 1.684 1.996 . 0 0 "[ . 1 . 2]" 2
2 1 19 ALA O 1 23 VAL N 0.000 . 3.000 2.796 2.669 2.961 . 0 0 "[ . 1 . 2]" 2
3 1 20 CYS O 1 24 CYS H 0.000 . 2.000 1.856 1.748 2.018 0.018 13 0 "[ . 1 . 2]" 2
4 1 20 CYS O 1 24 CYS N 0.000 . 3.000 2.814 2.711 2.966 . 0 0 "[ . 1 . 2]" 2
5 1 23 VAL O 1 27 HIS H 0.000 . 2.000 1.986 1.722 2.071 0.071 14 0 "[ . 1 . 2]" 2
6 1 23 VAL O 1 27 HIS N 0.000 . 3.000 2.904 2.694 3.019 0.019 1 0 "[ . 1 . 2]" 2
7 1 7 LEU H 1 47 CYS O 0.000 . 2.000 1.775 1.718 1.860 . 0 0 "[ . 1 . 2]" 2
8 1 7 LEU N 1 47 CYS O 0.000 . 3.000 2.739 2.693 2.808 . 0 0 "[ . 1 . 2]" 2
9 1 33 LYS O 1 48 TYR H 0.000 . 2.000 1.767 1.695 1.946 . 0 0 "[ . 1 . 2]" 2
10 1 33 LYS O 1 48 TYR N 0.000 . 3.000 2.728 2.663 2.891 . 0 0 "[ . 1 . 2]" 2
11 1 10 ALA H 1 45 CYS O 0.000 . 2.000 1.840 1.731 2.000 0.000 19 0 "[ . 1 . 2]" 2
12 1 10 ALA N 1 45 CYS O 0.000 . 3.000 2.785 2.709 2.866 . 0 0 "[ . 1 . 2]" 2
13 1 35 GLU H 1 46 HIS O 0.000 . 2.000 2.013 1.925 2.091 0.091 18 0 "[ . 1 . 2]" 2
14 1 35 GLU N 1 46 HIS O 0.000 . 3.000 2.939 2.842 3.033 0.033 18 0 "[ . 1 . 2]" 2
15 1 5 HIS O 1 49 GLY H 0.000 . 2.000 1.934 1.803 2.041 0.041 6 0 "[ . 1 . 2]" 2
stop_
save_
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