NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384864 |
1kqh   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kqh
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 406
_Distance_constraint_stats_list.Viol_count 784
_Distance_constraint_stats_list.Viol_total 921.656
_Distance_constraint_stats_list.Viol_max 0.196
_Distance_constraint_stats_list.Viol_rms 0.0227
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0588
_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 LYS 0.855 0.171 5 0 "[ . 1 . 2]"
1 2 CYS 5.811 0.171 5 0 "[ . 1 . 2]"
1 3 LEU 4.873 0.131 18 0 "[ . 1 . 2]"
1 4 ALA 0.652 0.079 14 0 "[ . 1 . 2]"
1 5 GLU 2.655 0.112 4 0 "[ . 1 . 2]"
1 6 ALA 3.773 0.161 5 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 2.052 0.196 7 0 "[ . 1 . 2]"
1 10 SER 2.777 0.196 7 0 "[ . 1 . 2]"
1 11 PRO 2.184 0.188 18 0 "[ . 1 . 2]"
1 12 TRP 0.117 0.033 12 0 "[ . 1 . 2]"
1 13 SER 1.286 0.188 18 0 "[ . 1 . 2]"
1 14 GLY 0.179 0.100 12 0 "[ . 1 . 2]"
1 15 ASP 2.290 0.135 15 0 "[ . 1 . 2]"
1 16 SER 4.220 0.173 1 0 "[ . 1 . 2]"
1 17 CYS 4.434 0.173 1 0 "[ . 1 . 2]"
1 18 CYS 4.558 0.193 13 0 "[ . 1 . 2]"
1 19 LYS 5.604 0.193 13 0 "[ . 1 . 2]"
1 20 PRO 2.005 0.180 1 0 "[ . 1 . 2]"
1 21 TYR 6.637 0.179 11 0 "[ . 1 . 2]"
1 22 LEU 1.477 0.074 8 0 "[ . 1 . 2]"
1 23 CYS 1.652 0.169 18 0 "[ . 1 . 2]"
1 24 SER 0.645 0.111 18 0 "[ . 1 . 2]"
1 25 CYS 1.812 0.120 12 0 "[ . 1 . 2]"
1 26 ILE 3.179 0.156 10 0 "[ . 1 . 2]"
1 27 PHE 2.531 0.156 10 0 "[ . 1 . 2]"
1 28 PHE 3.196 0.184 16 0 "[ . 1 . 2]"
1 29 TYR 3.391 0.184 16 0 "[ . 1 . 2]"
1 30 PRO 0.294 0.035 13 0 "[ . 1 . 2]"
1 31 CYS 1.120 0.120 12 0 "[ . 1 . 2]"
1 32 SER 0.018 0.011 13 0 "[ . 1 . 2]"
1 33 CYS 5.984 0.179 11 0 "[ . 1 . 2]"
1 34 ARG 2.354 0.135 18 0 "[ . 1 . 2]"
1 35 PRO 1.927 0.135 18 0 "[ . 1 . 2]"
1 36 LYS 2.804 0.169 14 0 "[ . 1 . 2]"
1 37 GLY 0.888 0.138 2 0 "[ . 1 . 2]"
1 38 TRP 1.930 0.169 14 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 1 LYS HA 1 2 CYS H 2.210 . 2.620 2.355 2.147 2.791 0.171 5 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 2 CYS HA 3.140 . 4.480 4.445 4.312 4.555 0.075 6 0 "[ . 1 . 2]" 1
3 1 1 LYS HA 1 2 CYS QB 3.390 . 4.980 4.409 4.141 4.808 . 0 0 "[ . 1 . 2]" 1
4 1 1 LYS QB 1 2 CYS H 3.530 . 5.260 3.145 1.780 4.030 0.020 7 0 "[ . 1 . 2]" 1
5 1 1 LYS QB 1 2 CYS HA 3.900 . 6.000 4.276 3.840 4.686 . 0 0 "[ . 1 . 2]" 1
6 1 1 LYS QG 1 2 CYS H 4.090 . 6.380 3.614 2.276 4.670 . 0 0 "[ . 1 . 2]" 1
7 1 1 LYS QD 1 2 CYS H 3.965 . 6.130 4.010 1.971 5.638 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS H 1 3 LEU H 3.245 . 4.690 4.324 4.277 4.524 . 0 0 "[ . 1 . 2]" 1
9 1 2 CYS H 1 3 LEU QD 4.715 . 7.630 4.849 4.620 5.382 . 0 0 "[ . 1 . 2]" 1
10 1 2 CYS HA 1 3 LEU H 2.395 . 2.990 2.305 2.106 2.382 . 0 0 "[ . 1 . 2]" 1
11 1 2 CYS HA 1 3 LEU HA 3.045 . 4.290 4.293 4.242 4.331 0.041 7 0 "[ . 1 . 2]" 1
12 1 2 CYS HA 1 3 LEU HB2 3.700 . 5.600 4.680 4.463 4.771 . 0 0 "[ . 1 . 2]" 1
13 1 2 CYS HA 1 3 LEU HB3 3.700 . 5.600 5.643 5.513 5.699 0.099 3 0 "[ . 1 . 2]" 1
14 1 2 CYS HA 1 3 LEU QB 3.565 . 5.330 4.465 4.283 4.542 . 0 0 "[ . 1 . 2]" 1
15 1 2 CYS HA 1 3 LEU HG 3.555 . 5.310 3.550 3.388 3.653 . 0 0 "[ . 1 . 2]" 1
16 1 2 CYS HA 1 3 LEU QD 4.715 . 7.630 3.979 3.883 4.056 . 0 0 "[ . 1 . 2]" 1
17 1 2 CYS HB2 1 3 LEU H 2.765 . 3.730 2.518 2.344 2.733 . 0 0 "[ . 1 . 2]" 1
18 1 2 CYS HB2 1 3 LEU HB2 4.525 . 7.250 4.554 4.390 4.699 . 0 0 "[ . 1 . 2]" 1
19 1 2 CYS HB2 1 3 LEU HB3 4.525 . 7.250 5.810 5.680 5.934 . 0 0 "[ . 1 . 2]" 1
20 1 2 CYS HB2 1 3 LEU QD 4.715 . 7.630 4.880 4.774 5.046 . 0 0 "[ . 1 . 2]" 1
21 1 2 CYS HB3 1 3 LEU H 2.765 . 3.730 3.755 3.643 3.861 0.131 18 0 "[ . 1 . 2]" 1
22 1 2 CYS HB3 1 3 LEU HB2 4.525 . 7.250 6.056 5.916 6.211 . 0 0 "[ . 1 . 2]" 1
23 1 2 CYS HB3 1 3 LEU HB3 4.525 . 7.250 7.250 7.160 7.321 0.071 5 0 "[ . 1 . 2]" 1
24 1 2 CYS HB3 1 3 LEU QD 4.715 . 7.630 5.600 5.529 5.698 . 0 0 "[ . 1 . 2]" 1
25 1 2 CYS QB 1 3 LEU H 2.630 . 3.460 2.482 2.318 2.679 . 0 0 "[ . 1 . 2]" 1
26 1 2 CYS QB 1 3 LEU QB 3.930 . 6.060 4.269 4.135 4.388 . 0 0 "[ . 1 . 2]" 1
27 1 2 CYS QB 1 3 LEU HG 3.575 . 5.350 4.516 4.378 4.708 . 0 0 "[ . 1 . 2]" 1
28 1 2 CYS QB 1 3 LEU QD 4.615 . 7.430 4.593 4.506 4.725 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU H 1 4 ALA H 3.650 . 5.500 4.530 4.453 4.573 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU HA 1 4 ALA H 2.145 . 2.490 2.176 2.148 2.219 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU QB 1 4 ALA H 3.280 . 4.760 3.130 2.952 3.281 . 0 0 "[ . 1 . 2]" 1
32 1 3 LEU QD 1 4 ALA H 4.265 . 6.730 3.448 3.251 3.650 . 0 0 "[ . 1 . 2]" 1
33 1 4 ALA H 1 5 GLU H 3.060 . 4.720 4.390 4.332 4.511 . 0 0 "[ . 1 . 2]" 1
34 1 4 ALA HA 1 5 GLU H 2.270 . 2.740 2.764 2.617 2.819 0.079 14 0 "[ . 1 . 2]" 1
35 1 4 ALA MB 1 5 GLU H 2.940 . 4.080 1.903 1.799 2.077 0.001 5 0 "[ . 1 . 2]" 1
36 1 5 GLU H 1 6 ALA H 3.110 . 4.420 4.504 4.483 4.526 0.106 20 0 "[ . 1 . 2]" 1
37 1 5 GLU HA 1 6 ALA H 2.225 . 2.650 2.089 2.064 2.124 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLU HB2 1 6 ALA H 3.075 . 4.350 3.350 2.938 4.167 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLU HB3 1 6 ALA H 3.075 . 4.350 3.971 3.788 4.214 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLU QB 1 6 ALA H 2.910 . 4.020 3.162 2.858 3.672 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLU QG 1 6 ALA H 4.090 . 6.380 4.000 2.595 4.406 . 0 0 "[ . 1 . 2]" 1
42 1 6 ALA H 1 7 ALA H 2.750 . 3.700 2.646 2.578 2.782 . 0 0 "[ . 1 . 2]" 1
43 1 6 ALA H 1 7 ALA MB 4.165 . 6.530 4.195 4.125 4.312 . 0 0 "[ . 1 . 2]" 1
44 1 6 ALA MB 1 7 ALA HA 3.825 . 5.850 4.142 4.110 4.209 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA H 1 8 ASP H 3.540 . 5.280 4.474 4.358 4.551 . 0 0 "[ . 1 . 2]" 1
46 1 7 ALA HA 1 8 ASP H 2.100 . 2.400 2.185 2.134 2.268 . 0 0 "[ . 1 . 2]" 1
47 1 7 ALA HA 1 8 ASP QB 4.090 . 6.380 4.287 4.069 4.483 . 0 0 "[ . 1 . 2]" 1
48 1 7 ALA MB 1 8 ASP H 3.065 . 4.330 3.034 2.807 3.249 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA MB 1 8 ASP HA 4.165 . 6.530 4.458 4.372 4.546 . 0 0 "[ . 1 . 2]" 1
50 1 8 ASP H 1 9 CYS H 3.450 . 5.100 4.588 4.509 4.640 . 0 0 "[ . 1 . 2]" 1
51 1 8 ASP HA 1 9 CYS H 2.270 . 2.740 2.194 2.101 2.286 . 0 0 "[ . 1 . 2]" 1
52 1 8 ASP HB2 1 9 CYS H 3.170 . 4.540 3.638 2.644 4.279 . 0 0 "[ . 1 . 2]" 1
53 1 8 ASP HB3 1 9 CYS H 3.170 . 4.540 3.839 3.195 4.129 . 0 0 "[ . 1 . 2]" 1
54 1 8 ASP QB 1 9 CYS H 2.940 . 4.080 3.180 2.603 3.693 . 0 0 "[ . 1 . 2]" 1
55 1 9 CYS H 1 10 SER H 3.650 . 5.500 4.429 4.288 4.589 . 0 0 "[ . 1 . 2]" 1
56 1 9 CYS HA 1 10 SER H 2.520 . 3.240 2.290 2.090 2.711 . 0 0 "[ . 1 . 2]" 1
57 1 9 CYS HB2 1 10 SER H 2.610 . 3.420 2.872 1.928 3.519 0.099 14 0 "[ . 1 . 2]" 1
58 1 9 CYS HB3 1 10 SER H 2.610 . 3.420 3.328 2.624 3.616 0.196 7 0 "[ . 1 . 2]" 1
59 1 9 CYS QB 1 10 SER H 2.445 . 3.090 2.587 1.917 2.995 . 0 0 "[ . 1 . 2]" 1
60 1 10 SER H 1 11 PRO HD2 3.650 . 5.500 4.775 4.602 5.278 . 0 0 "[ . 1 . 2]" 1
61 1 10 SER H 1 11 PRO HD3 3.650 . 5.500 4.812 4.151 5.140 . 0 0 "[ . 1 . 2]" 1
62 1 10 SER HA 1 11 PRO HB2 3.920 . 6.040 5.433 5.039 5.510 . 0 0 "[ . 1 . 2]" 1
63 1 10 SER HA 1 11 PRO HG2 3.450 . 5.100 4.248 4.136 4.423 . 0 0 "[ . 1 . 2]" 1
64 1 10 SER HA 1 11 PRO HG3 3.075 . 4.350 4.330 3.919 4.448 0.098 1 0 "[ . 1 . 2]" 1
65 1 10 SER HA 1 11 PRO HD2 2.270 . 2.740 2.138 1.939 2.756 0.016 5 0 "[ . 1 . 2]" 1
66 1 10 SER HA 1 11 PRO HD3 2.180 . 2.560 2.350 1.781 2.533 0.019 18 0 "[ . 1 . 2]" 1
67 1 10 SER QB 1 11 PRO HD2 4.090 . 6.380 2.865 2.262 3.914 . 0 0 "[ . 1 . 2]" 1
68 1 11 PRO HB2 1 12 TRP HA 3.385 . 4.970 4.160 3.936 4.497 . 0 0 "[ . 1 . 2]" 1
69 1 11 PRO HB2 1 12 TRP HE3 3.650 . 5.500 3.565 2.577 4.610 . 0 0 "[ . 1 . 2]" 1
70 1 11 PRO HB3 1 12 TRP HE3 3.650 . 5.500 4.923 4.213 5.509 0.009 17 0 "[ . 1 . 2]" 1
71 1 11 PRO HG2 1 12 TRP HE3 3.650 . 5.500 2.627 1.800 4.120 . 0 0 "[ . 1 . 2]" 1
72 1 11 PRO HG3 1 12 TRP H 3.650 . 5.500 3.971 3.569 4.510 . 0 0 "[ . 1 . 2]" 1
73 1 11 PRO HG3 1 12 TRP HE3 3.650 . 5.500 4.071 3.201 5.014 . 0 0 "[ . 1 . 2]" 1
74 1 11 PRO HD2 1 12 TRP H 3.510 . 5.220 3.108 2.506 3.414 . 0 0 "[ . 1 . 2]" 1
75 1 11 PRO HD2 1 12 TRP HE3 3.650 . 5.500 3.937 2.089 4.710 . 0 0 "[ . 1 . 2]" 1
76 1 11 PRO HD3 1 12 TRP H 3.650 . 5.500 4.122 3.769 4.264 . 0 0 "[ . 1 . 2]" 1
77 1 11 PRO HD3 1 12 TRP HE3 3.650 . 5.500 5.136 3.686 5.520 0.020 7 0 "[ . 1 . 2]" 1
78 1 12 TRP H 1 13 SER H 2.640 . 3.480 2.339 2.047 2.641 . 0 0 "[ . 1 . 2]" 1
79 1 12 TRP H 1 13 SER QB 3.885 . 5.970 4.676 3.947 5.345 . 0 0 "[ . 1 . 2]" 1
80 1 12 TRP HB2 1 13 SER H 3.075 . 4.350 2.504 2.144 3.790 . 0 0 "[ . 1 . 2]" 1
81 1 12 TRP HB3 1 13 SER H 3.075 . 4.350 3.539 3.217 4.383 0.033 12 0 "[ . 1 . 2]" 1
82 1 12 TRP HE3 1 13 SER QB 4.090 . 6.380 5.469 4.763 6.359 . 0 0 "[ . 1 . 2]" 1
83 1 13 SER H 1 14 GLY H 3.170 . 4.540 3.820 2.592 4.266 . 0 0 "[ . 1 . 2]" 1
84 1 13 SER HA 1 14 GLY H 2.350 . 2.900 2.417 2.156 2.729 . 0 0 "[ . 1 . 2]" 1
85 1 13 SER QB 1 14 GLY H 3.080 . 4.360 3.545 2.813 4.031 . 0 0 "[ . 1 . 2]" 1
86 1 14 GLY HA3 1 15 ASP H 2.350 . 3.000 2.539 2.124 2.946 . 0 0 "[ . 1 . 2]" 1
87 1 14 GLY HA2 1 15 ASP H 2.350 . 3.000 2.641 2.214 3.100 0.100 12 0 "[ . 1 . 2]" 1
88 1 14 GLY QA 1 15 ASP H 2.250 . 2.800 2.182 2.087 2.270 . 0 0 "[ . 1 . 2]" 1
89 1 15 ASP H 1 16 SER H 3.015 . 5.230 4.564 4.314 4.629 . 0 0 "[ . 1 . 2]" 1
90 1 15 ASP HA 1 16 SER H 2.225 . 2.650 2.330 2.174 2.674 0.024 12 0 "[ . 1 . 2]" 1
91 1 15 ASP HB2 1 16 SER H 2.720 . 3.940 3.952 3.696 4.067 0.127 8 0 "[ . 1 . 2]" 1
92 1 15 ASP HB3 1 16 SER H 2.720 . 3.640 2.876 2.484 3.355 . 0 0 "[ . 1 . 2]" 1
93 1 15 ASP QB 1 16 SER H 2.575 . 3.350 2.804 2.452 3.174 . 0 0 "[ . 1 . 2]" 1
94 1 16 SER H 1 17 CYS H 2.890 . 4.580 4.563 4.491 4.594 0.014 6 0 "[ . 1 . 2]" 1
95 1 16 SER H 1 17 CYS HA 3.650 . 5.500 5.373 5.164 5.517 0.017 6 0 "[ . 1 . 2]" 1
96 1 16 SER HA 1 17 CYS H 2.395 . 2.990 2.262 2.200 2.366 . 0 0 "[ . 1 . 2]" 1
97 1 16 SER HB2 1 17 CYS H 2.640 . 3.680 3.773 3.690 3.853 0.173 1 0 "[ . 1 . 2]" 1
98 1 16 SER HB3 1 17 CYS H 2.565 . 3.330 2.914 2.700 3.125 . 0 0 "[ . 1 . 2]" 1
99 1 17 CYS H 1 18 CYS H 3.280 . 4.760 4.610 4.594 4.632 . 0 0 "[ . 1 . 2]" 1
100 1 17 CYS HA 1 18 CYS H 2.315 . 2.830 2.233 2.194 2.292 . 0 0 "[ . 1 . 2]" 1
101 1 17 CYS HB2 1 18 CYS H 2.860 . 3.920 3.885 3.746 3.952 0.032 3 0 "[ . 1 . 2]" 1
102 1 17 CYS HB3 1 18 CYS H 2.795 . 3.790 3.015 2.928 3.095 . 0 0 "[ . 1 . 2]" 1
103 1 18 CYS H 1 19 LYS H 3.325 . 4.850 4.601 4.584 4.637 . 0 0 "[ . 1 . 2]" 1
104 1 18 CYS HA 1 19 LYS H 2.225 . 2.650 2.248 2.214 2.375 . 0 0 "[ . 1 . 2]" 1
105 1 18 CYS HA 1 19 LYS HB2 3.650 . 5.500 5.308 4.783 5.693 0.193 13 0 "[ . 1 . 2]" 1
106 1 18 CYS HA 1 19 LYS HB3 3.650 . 5.500 5.032 4.370 5.677 0.177 3 0 "[ . 1 . 2]" 1
107 1 18 CYS HA 1 19 LYS QD 4.090 . 6.380 4.782 3.175 5.914 . 0 0 "[ . 1 . 2]" 1
108 1 18 CYS HB2 1 19 LYS H 3.200 . 4.600 3.882 3.656 3.998 . 0 0 "[ . 1 . 2]" 1
109 1 18 CYS HB3 1 19 LYS H 2.595 . 3.390 2.891 2.635 3.036 . 0 0 "[ . 1 . 2]" 1
110 1 18 CYS HB3 1 19 LYS QB 4.090 . 6.380 5.027 4.851 5.246 . 0 0 "[ . 1 . 2]" 1
111 1 18 CYS HB3 1 19 LYS QD 4.090 . 6.380 5.382 3.271 6.426 0.046 17 0 "[ . 1 . 2]" 1
112 1 19 LYS H 1 20 PRO HA 3.060 . 4.720 4.527 4.483 4.575 . 0 0 "[ . 1 . 2]" 1
113 1 19 LYS HA 1 20 PRO HA 2.115 . 2.430 1.901 1.787 2.045 0.013 5 0 "[ . 1 . 2]" 1
114 1 19 LYS HA 1 20 PRO HB2 3.245 . 4.690 4.436 4.380 4.488 . 0 0 "[ . 1 . 2]" 1
115 1 19 LYS HA 1 20 PRO HB3 3.245 . 4.690 4.061 3.903 4.225 . 0 0 "[ . 1 . 2]" 1
116 1 19 LYS HA 1 20 PRO QB 3.135 . 4.470 3.758 3.649 3.869 . 0 0 "[ . 1 . 2]" 1
117 1 19 LYS HA 1 20 PRO HG2 3.650 . 5.500 5.261 5.181 5.325 . 0 0 "[ . 1 . 2]" 1
118 1 19 LYS HB2 1 20 PRO HA 2.440 . 3.280 2.889 2.250 3.460 0.180 1 0 "[ . 1 . 2]" 1
119 1 19 LYS HB3 1 20 PRO HA 2.440 . 3.280 2.749 1.918 3.434 0.154 9 0 "[ . 1 . 2]" 1
120 1 19 LYS QB 1 20 PRO HA 2.300 . 3.000 2.219 1.908 2.469 . 0 0 "[ . 1 . 2]" 1
121 1 19 LYS QG 1 20 PRO HA 4.090 . 6.380 3.956 3.268 4.389 . 0 0 "[ . 1 . 2]" 1
122 1 19 LYS QD 1 20 PRO HA 3.870 . 5.940 3.954 2.759 5.064 . 0 0 "[ . 1 . 2]" 1
123 1 20 PRO HA 1 21 TYR H 2.625 . 3.450 2.973 2.886 3.073 . 0 0 "[ . 1 . 2]" 1
124 1 20 PRO HB2 1 21 TYR H 3.185 . 4.570 4.356 4.335 4.398 . 0 0 "[ . 1 . 2]" 1
125 1 20 PRO QB 1 21 TYR H 3.055 . 4.310 4.013 3.997 4.046 . 0 0 "[ . 1 . 2]" 1
126 1 20 PRO HG3 1 21 TYR H 3.650 . 5.500 5.209 5.135 5.334 . 0 0 "[ . 1 . 2]" 1
127 1 20 PRO HD2 1 21 TYR H 3.650 . 5.500 3.211 3.066 3.401 . 0 0 "[ . 1 . 2]" 1
128 1 20 PRO HD3 1 21 TYR H 3.650 . 5.500 4.247 4.144 4.389 . 0 0 "[ . 1 . 2]" 1
129 1 21 TYR H 1 22 LEU H 3.635 . 5.470 4.604 4.455 4.639 . 0 0 "[ . 1 . 2]" 1
130 1 21 TYR HA 1 22 LEU H 2.595 . 3.390 2.304 2.206 2.797 . 0 0 "[ . 1 . 2]" 1
131 1 21 TYR HA 1 22 LEU HB2 3.075 . 4.350 4.319 4.210 4.361 0.011 17 0 "[ . 1 . 2]" 1
132 1 21 TYR HA 1 22 LEU HB3 3.075 . 4.350 4.409 4.388 4.424 0.074 8 0 "[ . 1 . 2]" 1
133 1 21 TYR HA 1 22 LEU QD 4.715 . 7.630 5.059 5.007 5.093 . 0 0 "[ . 1 . 2]" 1
134 1 21 TYR HB2 1 22 LEU H 2.795 . 3.790 3.678 2.833 3.852 0.062 2 0 "[ . 1 . 2]" 1
135 1 21 TYR HB3 1 22 LEU H 2.795 . 3.790 2.687 1.862 2.912 . 0 0 "[ . 1 . 2]" 1
136 1 21 TYR QB 1 22 LEU H 2.715 . 3.630 2.623 1.838 2.829 . 0 0 "[ . 1 . 2]" 1
137 1 21 TYR QB 1 22 LEU HA 3.545 . 5.290 4.100 3.870 4.192 . 0 0 "[ . 1 . 2]" 1
138 1 21 TYR QB 1 22 LEU QD 5.155 . 8.510 5.088 4.832 5.192 . 0 0 "[ . 1 . 2]" 1
139 1 22 LEU HA 1 23 CYS H 2.210 . 2.620 2.183 2.161 2.218 . 0 0 "[ . 1 . 2]" 1
140 1 22 LEU QB 1 23 CYS H 2.990 . 4.180 3.634 3.577 3.692 . 0 0 "[ . 1 . 2]" 1
141 1 22 LEU HG 1 23 CYS H 2.705 . 3.610 2.812 2.650 2.965 . 0 0 "[ . 1 . 2]" 1
142 1 22 LEU HG 1 23 CYS QB 4.090 . 6.380 3.989 3.785 4.258 . 0 0 "[ . 1 . 2]" 1
143 1 22 LEU MD1 1 23 CYS H 3.900 . 6.000 2.236 2.054 2.517 . 0 0 "[ . 1 . 2]" 1
144 1 22 LEU MD2 1 23 CYS H 3.900 . 6.000 4.278 4.167 4.393 . 0 0 "[ . 1 . 2]" 1
145 1 22 LEU QD 1 23 CYS H 3.680 . 5.560 2.228 2.049 2.502 . 0 0 "[ . 1 . 2]" 1
146 1 22 LEU QD 1 23 CYS HA 4.715 . 7.630 4.404 4.339 4.464 . 0 0 "[ . 1 . 2]" 1
147 1 23 CYS H 1 24 SER H 3.170 . 4.540 4.498 4.391 4.569 0.029 7 0 "[ . 1 . 2]" 1
148 1 23 CYS HA 1 24 SER H 2.240 . 2.680 2.162 2.070 2.205 . 0 0 "[ . 1 . 2]" 1
149 1 23 CYS HB2 1 24 SER H 3.060 . 4.320 4.326 4.223 4.431 0.111 18 0 "[ . 1 . 2]" 1
150 1 23 CYS HB3 1 24 SER H 3.060 . 4.320 4.232 4.073 4.348 0.028 15 0 "[ . 1 . 2]" 1
151 1 23 CYS QB 1 24 SER H 2.915 . 4.030 3.810 3.717 3.883 . 0 0 "[ . 1 . 2]" 1
152 1 24 SER HA 1 25 CYS H 2.225 . 2.650 2.111 2.087 2.139 . 0 0 "[ . 1 . 2]" 1
153 1 24 SER HB2 1 25 CYS H 3.280 . 4.760 3.291 3.224 3.418 . 0 0 "[ . 1 . 2]" 1
154 1 24 SER HB3 1 25 CYS H 3.045 . 4.290 4.167 4.123 4.256 . 0 0 "[ . 1 . 2]" 1
155 1 25 CYS H 1 26 ILE H 2.550 . 3.300 3.331 3.092 3.415 0.115 3 0 "[ . 1 . 2]" 1
156 1 25 CYS HA 1 26 ILE H 2.535 . 3.270 2.467 2.367 2.592 . 0 0 "[ . 1 . 2]" 1
157 1 25 CYS HA 1 26 ILE HA 3.500 . 5.000 4.593 4.553 4.646 . 0 0 "[ . 1 . 2]" 1
158 1 25 CYS HB2 1 26 ILE H 3.450 . 5.100 4.451 4.405 4.560 . 0 0 "[ . 1 . 2]" 1
159 1 25 CYS HB3 1 26 ILE H 3.015 . 4.530 4.291 4.179 4.353 . 0 0 "[ . 1 . 2]" 1
160 1 26 ILE H 1 27 PHE H 2.780 . 3.760 3.454 3.376 3.509 . 0 0 "[ . 1 . 2]" 1
161 1 26 ILE H 1 27 PHE QD 4.710 . 7.620 5.047 4.973 5.086 . 0 0 "[ . 1 . 2]" 1
162 1 26 ILE HA 1 27 PHE H 2.350 . 2.900 2.683 2.514 2.749 . 0 0 "[ . 1 . 2]" 1
163 1 26 ILE HB 1 27 PHE H 2.610 . 4.420 4.406 4.361 4.573 0.153 8 0 "[ . 1 . 2]" 1
164 1 26 ILE HB 1 27 PHE QD 4.710 . 7.620 4.658 4.473 5.095 . 0 0 "[ . 1 . 2]" 1
165 1 26 ILE HB 1 27 PHE QE 4.710 . 7.620 6.506 6.370 6.733 . 0 0 "[ . 1 . 2]" 1
166 1 26 ILE MG 1 27 PHE H 3.685 . 5.570 4.271 3.865 4.369 . 0 0 "[ . 1 . 2]" 1
167 1 26 ILE MG 1 27 PHE HA 4.070 . 6.340 5.876 5.076 6.077 . 0 0 "[ . 1 . 2]" 1
168 1 26 ILE MG 1 27 PHE HB3 4.165 . 6.530 6.394 5.542 6.627 0.097 6 0 "[ . 1 . 2]" 1
169 1 26 ILE MG 1 27 PHE QD 5.225 . 8.650 4.598 4.489 4.793 . 0 0 "[ . 1 . 2]" 1
170 1 26 ILE MG 1 27 PHE QE 5.225 . 8.650 5.894 5.648 6.507 . 0 0 "[ . 1 . 2]" 1
171 1 26 ILE HG12 1 27 PHE H 3.650 . 5.500 4.772 4.114 5.656 0.156 10 0 "[ . 1 . 2]" 1
172 1 26 ILE HG12 1 27 PHE QD 4.710 . 7.620 5.789 4.319 6.078 . 0 0 "[ . 1 . 2]" 1
173 1 26 ILE HG13 1 27 PHE H 3.650 . 5.500 4.454 4.242 5.541 0.041 13 0 "[ . 1 . 2]" 1
174 1 26 ILE HG13 1 27 PHE QD 4.710 . 7.620 5.303 3.909 6.482 . 0 0 "[ . 1 . 2]" 1
175 1 26 ILE QG 1 27 PHE HA 3.640 . 5.480 5.255 5.175 5.408 . 0 0 "[ . 1 . 2]" 1
176 1 26 ILE MD 1 27 PHE HB2 4.165 . 6.530 5.332 3.913 5.748 . 0 0 "[ . 1 . 2]" 1
177 1 26 ILE MD 1 27 PHE QD 5.225 . 8.650 5.483 3.025 6.031 . 0 0 "[ . 1 . 2]" 1
178 1 26 ILE MD 1 27 PHE QE 5.225 . 8.650 6.971 4.009 7.635 . 0 0 "[ . 1 . 2]" 1
179 1 27 PHE HA 1 28 PHE H 2.400 . 3.000 3.017 2.987 3.062 0.062 3 0 "[ . 1 . 2]" 1
180 1 27 PHE H 1 28 PHE H 2.660 . 3.520 2.737 2.696 2.818 . 0 0 "[ . 1 . 2]" 1
181 1 27 PHE HB2 1 28 PHE H 2.610 . 4.420 4.034 3.924 4.104 . 0 0 "[ . 1 . 2]" 1
182 1 27 PHE HB2 1 28 PHE QD 4.710 . 7.620 3.010 2.947 3.157 . 0 0 "[ . 1 . 2]" 1
183 1 27 PHE HB3 1 28 PHE H 2.675 . 4.550 4.352 4.320 4.389 . 0 0 "[ . 1 . 2]" 1
184 1 27 PHE QD 1 28 PHE H 4.710 . 7.620 4.566 4.502 4.611 . 0 0 "[ . 1 . 2]" 1
185 1 28 PHE H 1 29 TYR H 2.705 . 4.410 4.286 4.206 4.317 . 0 0 "[ . 1 . 2]" 1
186 1 28 PHE HB2 1 29 TYR H 2.815 . 4.030 4.172 4.041 4.214 0.184 16 0 "[ . 1 . 2]" 1
187 1 28 PHE HB3 1 29 TYR H 2.660 . 3.520 3.078 2.910 3.156 . 0 0 "[ . 1 . 2]" 1
188 1 28 PHE QD 1 29 TYR H 4.710 . 7.620 4.080 3.720 4.325 . 0 0 "[ . 1 . 2]" 1
189 1 29 TYR HA 1 30 PRO HA 2.130 . 2.460 1.830 1.765 2.207 0.035 13 0 "[ . 1 . 2]" 1
190 1 29 TYR HB2 1 30 PRO HA 2.440 . 4.080 3.755 3.654 3.847 . 0 0 "[ . 1 . 2]" 1
191 1 29 TYR HB3 1 30 PRO HA 3.110 . 4.420 3.957 3.349 4.128 . 0 0 "[ . 1 . 2]" 1
192 1 29 TYR QD 1 30 PRO HA 4.195 . 6.590 2.253 2.143 2.549 . 0 0 "[ . 1 . 2]" 1
193 1 29 TYR QD 1 30 PRO QB 5.160 . 8.520 3.401 3.292 3.672 . 0 0 "[ . 1 . 2]" 1
194 1 29 TYR QD 1 30 PRO QG 5.160 . 8.520 4.548 3.926 4.842 . 0 0 "[ . 1 . 2]" 1
195 1 29 TYR QE 1 30 PRO HA 4.715 . 7.630 3.466 3.322 3.534 . 0 0 "[ . 1 . 2]" 1
196 1 29 TYR QE 1 30 PRO QB 5.155 . 8.510 3.237 3.092 3.619 . 0 0 "[ . 1 . 2]" 1
197 1 29 TYR QE 1 30 PRO QG 5.155 . 8.510 4.602 4.294 5.124 . 0 0 "[ . 1 . 2]" 1
198 1 30 PRO HA 1 31 CYS H 2.350 . 2.900 2.458 2.152 2.543 . 0 0 "[ . 1 . 2]" 1
199 1 30 PRO QB 1 31 CYS H 3.035 . 4.270 2.407 2.217 3.157 . 0 0 "[ . 1 . 2]" 1
200 1 31 CYS HA 1 32 SER H 2.505 . 3.210 2.405 2.265 2.629 . 0 0 "[ . 1 . 2]" 1
201 1 31 CYS HB2 1 32 SER H 2.985 . 4.170 3.710 3.227 4.143 . 0 0 "[ . 1 . 2]" 1
202 1 31 CYS HB3 1 32 SER H 3.480 . 5.160 2.685 2.246 3.070 . 0 0 "[ . 1 . 2]" 1
203 1 31 CYS HB3 1 32 SER HA 3.245 . 4.690 4.441 4.283 4.575 . 0 0 "[ . 1 . 2]" 1
204 1 32 SER HA 1 33 CYS H 2.580 . 3.360 2.159 2.124 2.182 . 0 0 "[ . 1 . 2]" 1
205 1 32 SER HB2 1 33 CYS H 2.935 . 4.070 3.212 3.088 3.401 . 0 0 "[ . 1 . 2]" 1
206 1 32 SER HB3 1 33 CYS H 2.935 . 4.070 3.903 3.713 4.067 . 0 0 "[ . 1 . 2]" 1
207 1 32 SER QB 1 33 CYS H 2.760 . 3.720 3.070 2.951 3.239 . 0 0 "[ . 1 . 2]" 1
208 1 33 CYS HA 1 34 ARG H 2.455 . 3.110 2.117 2.085 2.146 . 0 0 "[ . 1 . 2]" 1
209 1 33 CYS HB3 1 34 ARG H 3.340 . 4.880 3.264 3.124 3.409 . 0 0 "[ . 1 . 2]" 1
210 1 34 ARG HA 1 35 PRO QB 3.935 . 6.070 4.749 4.642 4.829 . 0 0 "[ . 1 . 2]" 1
211 1 34 ARG HA 1 35 PRO HD2 2.270 . 2.740 2.597 2.331 2.808 0.068 5 0 "[ . 1 . 2]" 1
212 1 34 ARG HA 1 35 PRO HD3 2.270 . 2.740 2.263 1.926 2.699 . 0 0 "[ . 1 . 2]" 1
213 1 34 ARG HA 1 35 PRO QD 2.110 . 2.420 2.084 1.890 2.410 . 0 0 "[ . 1 . 2]" 1
214 1 34 ARG HB2 1 35 PRO HD2 3.185 . 4.570 3.588 3.100 4.027 . 0 0 "[ . 1 . 2]" 1
215 1 34 ARG HB2 1 35 PRO HD3 3.185 . 4.570 4.505 4.305 4.705 0.135 18 0 "[ . 1 . 2]" 1
216 1 34 ARG HB3 1 35 PRO HD2 3.185 . 4.570 2.097 1.740 2.517 0.060 11 0 "[ . 1 . 2]" 1
217 1 34 ARG HB3 1 35 PRO HD3 3.185 . 4.570 3.315 3.128 3.575 . 0 0 "[ . 1 . 2]" 1
218 1 34 ARG QB 1 35 PRO QD 2.915 . 4.030 2.050 1.723 2.419 0.077 11 0 "[ . 1 . 2]" 1
219 1 34 ARG QG 1 35 PRO HA 4.090 . 6.380 6.298 6.105 6.354 . 0 0 "[ . 1 . 2]" 1
220 1 34 ARG QG 1 35 PRO QD 4.525 . 7.250 3.801 3.514 3.966 . 0 0 "[ . 1 . 2]" 1
221 1 34 ARG HD2 1 35 PRO HD2 3.650 . 5.500 3.547 3.208 4.086 . 0 0 "[ . 1 . 2]" 1
222 1 34 ARG HD2 1 35 PRO HD3 3.650 . 5.500 4.318 3.870 5.616 0.116 19 0 "[ . 1 . 2]" 1
223 1 34 ARG HD3 1 35 PRO HD2 3.650 . 5.500 3.482 2.944 4.078 . 0 0 "[ . 1 . 2]" 1
224 1 34 ARG HD3 1 35 PRO HD3 3.650 . 5.500 3.598 2.832 4.853 . 0 0 "[ . 1 . 2]" 1
225 1 35 PRO HA 1 36 LYS H 2.425 . 3.050 2.281 2.212 2.337 . 0 0 "[ . 1 . 2]" 1
226 1 35 PRO HA 1 36 LYS QB 4.090 . 6.380 4.109 4.017 4.175 . 0 0 "[ . 1 . 2]" 1
227 1 35 PRO QB 1 36 LYS H 2.970 . 4.140 2.943 2.753 3.071 . 0 0 "[ . 1 . 2]" 1
228 1 36 LYS H 1 37 GLY H 3.110 . 4.420 4.242 3.646 4.516 0.096 1 0 "[ . 1 . 2]" 1
229 1 36 LYS HA 1 37 GLY H 2.145 . 2.490 2.185 2.015 2.429 . 0 0 "[ . 1 . 2]" 1
230 1 36 LYS QB 1 37 GLY H 3.360 . 4.920 3.761 3.359 4.015 . 0 0 "[ . 1 . 2]" 1
231 1 36 LYS QG 1 37 GLY H 3.900 . 6.000 3.281 2.515 4.275 . 0 0 "[ . 1 . 2]" 1
232 1 36 LYS QD 1 37 GLY H 4.090 . 6.380 3.735 1.720 5.855 0.080 3 0 "[ . 1 . 2]" 1
233 1 37 GLY H 1 38 TRP H 2.580 . 3.360 2.013 1.662 2.245 0.138 2 0 "[ . 1 . 2]" 1
234 1 37 GLY QA 1 38 TRP QB 4.265 . 6.730 4.456 3.741 4.569 . 0 0 "[ . 1 . 2]" 1
235 1 3 LEU QB 1 7 ALA H 4.090 . 6.380 4.154 3.973 4.525 . 0 0 "[ . 1 . 2]" 1
236 1 5 GLU HA 1 7 ALA H 3.045 . 4.290 3.672 3.492 3.926 . 0 0 "[ . 1 . 2]" 1
237 1 5 GLU QG 1 7 ALA H 4.090 . 6.380 5.354 4.792 5.662 . 0 0 "[ . 1 . 2]" 1
238 1 10 SER QB 1 13 SER H 3.345 . 4.890 2.975 2.713 3.630 . 0 0 "[ . 1 . 2]" 1
239 1 10 SER QB 1 13 SER HA 3.545 . 5.290 3.947 3.266 4.611 . 0 0 "[ . 1 . 2]" 1
240 1 11 PRO HG3 1 13 SER H 3.650 . 5.800 5.853 5.608 5.988 0.188 18 0 "[ . 1 . 2]" 1
241 1 11 PRO HD2 1 13 SER H 3.650 . 5.500 4.328 3.372 4.664 . 0 0 "[ . 1 . 2]" 1
242 1 18 CYS H 1 21 TYR QB 3.885 . 5.970 3.524 3.271 3.746 . 0 0 "[ . 1 . 2]" 1
243 1 18 CYS HB2 1 21 TYR H 3.090 . 4.380 4.252 4.107 4.387 0.007 10 0 "[ . 1 . 2]" 1
244 1 18 CYS HB3 1 21 TYR H 3.340 . 4.880 4.882 4.751 4.961 0.081 7 0 "[ . 1 . 2]" 1
245 1 19 LYS HA 1 21 TYR H 2.300 . 2.800 2.317 2.068 2.533 . 0 0 "[ . 1 . 2]" 1
246 1 19 LYS HA 1 21 TYR QB 4.090 . 6.380 4.268 3.915 4.466 . 0 0 "[ . 1 . 2]" 1
247 1 19 LYS HA 1 22 LEU QD 4.715 . 7.630 6.121 5.789 6.470 . 0 0 "[ . 1 . 2]" 1
248 1 19 LYS HB2 1 21 TYR H 3.650 . 5.500 4.675 4.473 4.855 . 0 0 "[ . 1 . 2]" 1
249 1 19 LYS HB3 1 21 TYR H 3.650 . 5.500 4.574 4.163 4.914 . 0 0 "[ . 1 . 2]" 1
250 1 19 LYS QG 1 21 TYR H 4.090 . 6.380 4.911 4.432 5.139 . 0 0 "[ . 1 . 2]" 1
251 1 19 LYS QD 1 21 TYR H 4.090 . 6.380 5.047 3.599 6.467 0.087 16 0 "[ . 1 . 2]" 1
252 1 22 LEU QB 1 24 SER H 3.780 . 5.760 5.488 5.253 5.739 . 0 0 "[ . 1 . 2]" 1
253 1 25 CYS HA 1 27 PHE H 3.650 . 5.500 3.849 3.725 3.974 . 0 0 "[ . 1 . 2]" 1
254 1 26 ILE H 1 28 PHE H 2.900 . 4.000 3.642 3.535 3.729 . 0 0 "[ . 1 . 2]" 1
255 1 26 ILE HA 1 28 PHE H 3.150 . 4.500 4.342 4.252 4.447 . 0 0 "[ . 1 . 2]" 1
256 1 29 TYR HA 1 31 CYS H 2.765 . 3.730 3.634 2.850 3.782 0.052 20 0 "[ . 1 . 2]" 1
257 1 29 TYR QD 1 31 CYS H 4.720 . 7.640 3.663 2.446 3.905 . 0 0 "[ . 1 . 2]" 1
258 1 32 SER HB2 1 34 ARG HG2 4.525 . 7.250 4.173 3.718 4.510 . 0 0 "[ . 1 . 2]" 1
259 1 32 SER HB2 1 34 ARG HG3 4.525 . 7.250 5.402 4.756 5.669 . 0 0 "[ . 1 . 2]" 1
260 1 32 SER HB2 1 34 ARG HE 3.650 . 5.500 2.815 2.212 4.444 . 0 0 "[ . 1 . 2]" 1
261 1 32 SER HB3 1 34 ARG HG2 4.525 . 7.250 5.618 5.282 5.949 . 0 0 "[ . 1 . 2]" 1
262 1 32 SER HB3 1 34 ARG HG3 4.525 . 7.250 6.764 6.057 7.077 . 0 0 "[ . 1 . 2]" 1
263 1 32 SER HB3 1 34 ARG HE 3.650 . 5.500 4.049 3.662 5.303 . 0 0 "[ . 1 . 2]" 1
264 1 32 SER QB 1 34 ARG QG 4.060 . 6.320 3.928 3.514 4.210 . 0 0 "[ . 1 . 2]" 1
265 1 34 ARG QB 1 38 TRP HE3 4.090 . 6.380 4.085 1.814 6.073 . 0 0 "[ . 1 . 2]" 1
266 1 34 ARG QG 1 38 TRP HD1 4.090 . 6.380 5.981 3.974 6.411 0.031 5 0 "[ . 1 . 2]" 1
267 1 34 ARG QD 1 38 TRP HD1 4.090 . 6.380 5.991 3.960 6.472 0.092 2 0 "[ . 1 . 2]" 1
268 1 34 ARG QD 1 38 TRP HE3 4.090 . 6.380 5.939 4.689 6.452 0.072 12 0 "[ . 1 . 2]" 1
269 1 35 PRO QG 1 38 TRP QB 4.525 . 7.250 4.135 1.782 7.226 0.018 15 0 "[ . 1 . 2]" 1
270 1 35 PRO QG 1 38 TRP HD1 4.090 . 6.380 5.994 4.737 6.444 0.064 8 0 "[ . 1 . 2]" 1
271 1 36 LYS HA 1 38 TRP H 2.890 . 3.980 3.636 2.911 4.149 0.169 14 0 "[ . 1 . 2]" 1
272 1 2 CYS HA 1 15 ASP HB2 3.215 . 4.630 4.389 3.215 4.765 0.135 15 0 "[ . 1 . 2]" 1
273 1 2 CYS HA 1 15 ASP HB3 3.215 . 4.630 2.934 2.110 3.689 . 0 0 "[ . 1 . 2]" 1
274 1 2 CYS HA 1 15 ASP QB 2.955 . 4.110 2.887 2.083 3.566 . 0 0 "[ . 1 . 2]" 1
275 1 2 CYS HA 1 16 SER H 3.075 . 4.350 3.410 3.019 3.805 . 0 0 "[ . 1 . 2]" 1
276 1 2 CYS HA 1 16 SER HA 3.385 . 4.970 5.003 4.763 5.117 0.147 15 0 "[ . 1 . 2]" 1
277 1 2 CYS HA 1 16 SER HB2 3.650 . 5.500 4.005 3.666 4.345 . 0 0 "[ . 1 . 2]" 1
278 1 2 CYS HA 1 16 SER HB3 3.650 . 5.500 5.368 5.177 5.549 0.049 13 0 "[ . 1 . 2]" 1
279 1 2 CYS HA 1 17 CYS H 3.590 . 5.380 5.293 5.013 5.427 0.047 3 0 "[ . 1 . 2]" 1
280 1 2 CYS HA 1 18 CYS H 3.385 . 4.970 4.581 4.274 4.800 . 0 0 "[ . 1 . 2]" 1
281 1 2 CYS HA 1 18 CYS HA 3.325 . 4.850 4.835 4.586 4.949 0.099 3 0 "[ . 1 . 2]" 1
282 1 2 CYS HB2 1 16 SER H 3.650 . 5.500 4.990 4.574 5.473 . 0 0 "[ . 1 . 2]" 1
283 1 2 CYS HB2 1 18 CYS H 3.650 . 5.500 2.723 2.611 2.927 . 0 0 "[ . 1 . 2]" 1
284 1 2 CYS HB2 1 19 LYS H 3.650 . 5.500 4.603 4.356 4.840 . 0 0 "[ . 1 . 2]" 1
285 1 2 CYS HB3 1 16 SER H 3.650 . 5.500 4.747 4.395 5.163 . 0 0 "[ . 1 . 2]" 1
286 1 2 CYS HB3 1 18 CYS H 3.650 . 5.500 4.458 4.347 4.661 . 0 0 "[ . 1 . 2]" 1
287 1 2 CYS HB3 1 19 LYS H 3.650 . 5.500 5.117 4.912 5.370 . 0 0 "[ . 1 . 2]" 1
288 1 2 CYS QB 1 17 CYS HA 3.560 . 5.320 3.355 3.185 3.626 . 0 0 "[ . 1 . 2]" 1
289 1 2 CYS QB 1 18 CYS H 3.405 . 5.010 2.700 2.591 2.898 . 0 0 "[ . 1 . 2]" 1
290 1 3 LEU H 1 17 CYS HA 2.640 . 3.480 2.237 1.959 2.384 . 0 0 "[ . 1 . 2]" 1
291 1 3 LEU H 1 17 CYS HB2 3.650 . 5.500 5.134 4.857 5.261 . 0 0 "[ . 1 . 2]" 1
292 1 3 LEU H 1 18 CYS H 2.875 . 3.950 2.972 2.512 3.129 . 0 0 "[ . 1 . 2]" 1
293 1 3 LEU HA 1 17 CYS HA 3.060 . 4.320 4.177 4.036 4.309 . 0 0 "[ . 1 . 2]" 1
294 1 3 LEU HA 1 18 CYS H 3.450 . 5.100 4.395 4.161 4.477 . 0 0 "[ . 1 . 2]" 1
295 1 3 LEU HB2 1 9 CYS HB2 4.525 . 7.250 5.993 5.154 7.108 . 0 0 "[ . 1 . 2]" 1
296 1 3 LEU HB2 1 9 CYS HB3 4.525 . 7.250 4.541 3.856 5.834 . 0 0 "[ . 1 . 2]" 1
297 1 3 LEU HB2 1 15 ASP HB2 3.970 . 6.140 5.509 4.904 6.058 . 0 0 "[ . 1 . 2]" 1
298 1 3 LEU HB2 1 15 ASP HB3 3.970 . 6.140 4.788 4.324 5.532 . 0 0 "[ . 1 . 2]" 1
299 1 3 LEU HB2 1 17 CYS HA 2.640 . 3.480 1.859 1.801 1.930 . 0 0 "[ . 1 . 2]" 1
300 1 3 LEU HB2 1 17 CYS HB3 3.650 . 5.500 3.411 3.185 3.637 . 0 0 "[ . 1 . 2]" 1
301 1 3 LEU HB2 1 18 CYS H 3.650 . 5.500 3.374 3.240 3.568 . 0 0 "[ . 1 . 2]" 1
302 1 3 LEU HB3 1 9 CYS HB2 4.525 . 7.250 6.284 5.527 7.138 . 0 0 "[ . 1 . 2]" 1
303 1 3 LEU HB3 1 9 CYS HB3 4.525 . 7.250 4.796 3.977 6.158 . 0 0 "[ . 1 . 2]" 1
304 1 3 LEU HB3 1 15 ASP HB2 3.970 . 6.140 5.687 5.182 6.211 0.071 18 0 "[ . 1 . 2]" 1
305 1 3 LEU HB3 1 15 ASP HB3 3.970 . 6.140 5.332 4.635 6.184 0.044 6 0 "[ . 1 . 2]" 1
306 1 3 LEU HB3 1 17 CYS HA 2.640 . 3.480 3.555 3.496 3.594 0.114 1 0 "[ . 1 . 2]" 1
307 1 3 LEU HB3 1 17 CYS HB3 3.650 . 5.500 4.718 4.445 4.976 . 0 0 "[ . 1 . 2]" 1
308 1 3 LEU HB3 1 18 CYS H 3.650 . 5.500 4.565 4.463 4.680 . 0 0 "[ . 1 . 2]" 1
309 1 3 LEU QB 1 9 CYS QB 4.060 . 6.320 4.015 3.450 5.061 . 0 0 "[ . 1 . 2]" 1
310 1 3 LEU QB 1 15 ASP QB 3.400 . 5.000 4.101 3.865 4.416 . 0 0 "[ . 1 . 2]" 1
311 1 3 LEU QB 1 17 CYS H 3.700 . 5.600 3.990 3.829 4.129 . 0 0 "[ . 1 . 2]" 1
312 1 3 LEU QB 1 17 CYS HA 2.370 . 2.940 1.853 1.795 1.922 0.005 3 0 "[ . 1 . 2]" 1
313 1 3 LEU QB 1 18 CYS H 3.410 . 5.020 3.289 3.167 3.463 . 0 0 "[ . 1 . 2]" 1
314 1 3 LEU HG 1 9 CYS QB 3.980 . 6.160 4.599 4.206 5.576 . 0 0 "[ . 1 . 2]" 1
315 1 3 LEU HG 1 15 ASP H 3.650 . 5.500 4.249 3.492 4.837 . 0 0 "[ . 1 . 2]" 1
316 1 3 LEU HG 1 15 ASP HB2 2.890 . 3.980 3.066 2.582 3.583 . 0 0 "[ . 1 . 2]" 1
317 1 3 LEU HG 1 15 ASP HB3 2.890 . 3.980 2.471 1.847 3.436 . 0 0 "[ . 1 . 2]" 1
318 1 3 LEU HG 1 15 ASP QB 2.795 . 3.790 2.252 1.841 2.717 . 0 0 "[ . 1 . 2]" 1
319 1 3 LEU HG 1 16 SER H 3.650 . 5.500 4.184 3.721 4.613 . 0 0 "[ . 1 . 2]" 1
320 1 3 LEU HG 1 17 CYS H 3.650 . 5.500 4.570 4.329 4.760 . 0 0 "[ . 1 . 2]" 1
321 1 3 LEU HG 1 17 CYS HA 2.580 . 3.360 3.400 3.360 3.426 0.066 3 0 "[ . 1 . 2]" 1
322 1 3 LEU HG 1 18 CYS H 3.650 . 5.500 4.959 4.844 5.099 . 0 0 "[ . 1 . 2]" 1
323 1 3 LEU QD 1 8 ASP H 4.715 . 7.630 4.071 3.815 4.370 . 0 0 "[ . 1 . 2]" 1
324 1 3 LEU QD 1 9 CYS H 4.715 . 7.630 3.832 3.546 4.124 . 0 0 "[ . 1 . 2]" 1
325 1 3 LEU QD 1 9 CYS HB2 3.770 . 5.740 3.263 2.558 4.078 . 0 0 "[ . 1 . 2]" 1
326 1 3 LEU QD 1 9 CYS HB3 3.770 . 5.740 2.190 1.814 3.093 . 0 0 "[ . 1 . 2]" 1
327 1 3 LEU QD 1 9 CYS QB 3.700 . 5.600 2.152 1.789 3.004 0.011 15 0 "[ . 1 . 2]" 1
328 1 3 LEU QD 1 10 SER H 4.715 . 7.630 3.243 2.712 4.102 . 0 0 "[ . 1 . 2]" 1
329 1 3 LEU QD 1 15 ASP H 4.715 . 7.630 3.065 2.116 3.734 . 0 0 "[ . 1 . 2]" 1
330 1 3 LEU QD 1 15 ASP QB 4.180 . 6.560 2.169 1.877 2.641 . 0 0 "[ . 1 . 2]" 1
331 1 3 LEU QD 1 16 SER H 4.715 . 7.630 4.269 3.934 4.585 . 0 0 "[ . 1 . 2]" 1
332 1 3 LEU QD 1 16 SER HA 4.715 . 7.630 3.743 3.299 4.033 . 0 0 "[ . 1 . 2]" 1
333 1 3 LEU QD 1 16 SER HB2 4.715 . 7.630 5.390 5.216 5.577 . 0 0 "[ . 1 . 2]" 1
334 1 3 LEU QD 1 16 SER HB3 4.715 . 7.630 5.437 5.072 5.653 . 0 0 "[ . 1 . 2]" 1
335 1 3 LEU QD 1 17 CYS H 4.715 . 7.630 3.793 3.490 4.062 . 0 0 "[ . 1 . 2]" 1
336 1 3 LEU QD 1 17 CYS HA 3.955 . 6.110 3.244 3.074 3.413 . 0 0 "[ . 1 . 2]" 1
337 1 3 LEU QD 1 18 CYS H 4.715 . 7.630 4.626 4.524 4.750 . 0 0 "[ . 1 . 2]" 1
338 1 4 ALA HA 1 18 CYS H 3.340 . 4.880 3.767 3.596 3.944 . 0 0 "[ . 1 . 2]" 1
339 1 4 ALA HA 1 18 CYS HB2 3.650 . 5.500 3.055 2.801 3.272 . 0 0 "[ . 1 . 2]" 1
340 1 4 ALA HA 1 18 CYS HB3 3.650 . 5.500 4.469 4.211 4.662 . 0 0 "[ . 1 . 2]" 1
341 1 5 GLU QB 1 33 CYS HB2 4.090 . 6.380 5.616 5.122 5.846 . 0 0 "[ . 1 . 2]" 1
342 1 5 GLU QB 1 33 CYS HB3 4.090 . 6.380 6.215 5.631 6.492 0.112 4 0 "[ . 1 . 2]" 1
343 1 5 GLU QB 1 34 ARG HA 3.900 . 6.000 4.243 3.622 5.246 . 0 0 "[ . 1 . 2]" 1
344 1 6 ALA H 1 32 SER QB 4.090 . 6.380 4.746 4.434 5.080 . 0 0 "[ . 1 . 2]" 1
345 1 6 ALA H 1 33 CYS H 3.420 . 5.040 4.955 4.731 5.054 0.014 2 0 "[ . 1 . 2]" 1
346 1 6 ALA H 1 33 CYS HB2 2.905 . 4.010 3.813 3.673 3.993 . 0 0 "[ . 1 . 2]" 1
347 1 6 ALA H 1 33 CYS HB3 3.280 . 4.760 4.835 4.738 4.921 0.161 5 0 "[ . 1 . 2]" 1
348 1 6 ALA H 1 34 ARG HA 3.650 . 5.500 2.403 2.250 2.615 . 0 0 "[ . 1 . 2]" 1
349 1 6 ALA HA 1 32 SER HA 3.650 . 5.500 5.343 5.072 5.511 0.011 13 0 "[ . 1 . 2]" 1
350 1 6 ALA HA 1 32 SER QB 3.420 . 5.040 3.121 2.829 3.416 . 0 0 "[ . 1 . 2]" 1
351 1 6 ALA HA 1 33 CYS H 3.215 . 4.630 4.642 4.550 4.744 0.114 20 0 "[ . 1 . 2]" 1
352 1 6 ALA HA 1 34 ARG HE 3.495 . 5.190 3.585 2.576 5.204 0.014 19 0 "[ . 1 . 2]" 1
353 1 6 ALA MB 1 34 ARG HE 4.165 . 6.530 4.370 3.583 5.591 . 0 0 "[ . 1 . 2]" 1
354 1 6 ALA MB 1 35 PRO QD 4.090 . 6.380 3.634 3.034 4.387 . 0 0 "[ . 1 . 2]" 1
355 1 7 ALA H 1 33 CYS H 3.435 . 5.070 3.192 2.981 3.422 . 0 0 "[ . 1 . 2]" 1
356 1 7 ALA H 1 33 CYS HB2 2.815 . 3.830 2.770 2.638 2.892 . 0 0 "[ . 1 . 2]" 1
357 1 7 ALA H 1 33 CYS HB3 3.650 . 5.500 4.416 4.297 4.535 . 0 0 "[ . 1 . 2]" 1
358 1 7 ALA MB 1 33 CYS H 4.135 . 6.470 3.638 3.495 3.820 . 0 0 "[ . 1 . 2]" 1
359 1 8 ASP H 1 32 SER HA 3.355 . 4.910 4.374 4.127 4.555 . 0 0 "[ . 1 . 2]" 1
360 1 8 ASP HA 1 32 SER HA 2.300 . 2.800 2.214 1.828 2.578 . 0 0 "[ . 1 . 2]" 1
361 1 8 ASP HA 1 32 SER QB 3.080 . 4.360 2.327 2.006 2.636 . 0 0 "[ . 1 . 2]" 1
362 1 8 ASP HA 1 33 CYS H 3.030 . 4.260 3.751 3.367 4.109 . 0 0 "[ . 1 . 2]" 1
363 1 8 ASP QB 1 32 SER HA 4.090 . 6.380 4.192 3.833 4.590 . 0 0 "[ . 1 . 2]" 1
364 1 9 CYS H 1 31 CYS H 3.045 . 4.290 3.981 3.437 4.326 0.036 13 0 "[ . 1 . 2]" 1
365 1 9 CYS H 1 31 CYS HB3 3.650 . 5.500 4.520 4.206 5.020 . 0 0 "[ . 1 . 2]" 1
366 1 9 CYS H 1 32 SER HA 2.535 . 3.270 2.564 2.137 3.106 . 0 0 "[ . 1 . 2]" 1
367 1 9 CYS H 1 32 SER QB 4.090 . 6.380 3.771 3.532 4.100 . 0 0 "[ . 1 . 2]" 1
368 1 9 CYS H 1 33 CYS H 3.650 . 5.500 4.047 3.448 4.538 . 0 0 "[ . 1 . 2]" 1
369 1 9 CYS QB 1 15 ASP H 4.090 . 6.380 5.323 3.765 6.403 0.023 5 0 "[ . 1 . 2]" 1
370 1 9 CYS QB 1 33 CYS H 4.090 . 6.380 3.899 3.328 4.701 . 0 0 "[ . 1 . 2]" 1
371 1 10 SER QB 1 15 ASP H 4.090 . 6.380 4.506 3.535 6.024 . 0 0 "[ . 1 . 2]" 1
372 1 17 CYS HB2 1 22 LEU HA 3.170 . 4.540 3.349 2.858 4.109 . 0 0 "[ . 1 . 2]" 1
373 1 17 CYS HB2 1 33 CYS HB3 3.435 . 5.070 3.481 3.306 3.765 . 0 0 "[ . 1 . 2]" 1
374 1 17 CYS HB3 1 22 LEU HA 3.200 . 4.600 4.064 3.714 4.490 . 0 0 "[ . 1 . 2]" 1
375 1 17 CYS HB3 1 33 CYS HB2 3.310 . 4.820 3.277 3.110 3.488 . 0 0 "[ . 1 . 2]" 1
376 1 17 CYS HB3 1 33 CYS HB3 2.845 . 3.890 2.127 2.031 2.290 . 0 0 "[ . 1 . 2]" 1
377 1 20 PRO QB 1 35 PRO QB 4.525 . 7.250 6.752 6.255 7.150 . 0 0 "[ . 1 . 2]" 1
378 1 21 TYR H 1 35 PRO QB 4.090 . 6.380 6.379 6.220 6.440 0.060 15 0 "[ . 1 . 2]" 1
379 1 21 TYR HA 1 35 PRO QB 4.090 . 6.380 4.864 4.600 4.964 . 0 0 "[ . 1 . 2]" 1
380 1 21 TYR HA 1 36 LYS HA 2.830 . 4.060 4.060 3.822 4.162 0.102 17 0 "[ . 1 . 2]" 1
381 1 21 TYR HB2 1 33 CYS HB2 2.860 . 3.920 4.039 3.975 4.099 0.179 11 0 "[ . 1 . 2]" 1
382 1 21 TYR HB3 1 33 CYS HB2 2.860 . 3.920 3.765 3.649 3.910 . 0 0 "[ . 1 . 2]" 1
383 1 21 TYR QB 1 34 ARG H 4.090 . 6.380 3.456 3.322 3.736 . 0 0 "[ . 1 . 2]" 1
384 1 21 TYR QB 1 36 LYS H 4.090 . 6.380 4.566 4.332 4.734 . 0 0 "[ . 1 . 2]" 1
385 1 21 TYR QB 1 36 LYS QB 3.350 . 4.900 4.930 4.773 5.009 0.109 12 0 "[ . 1 . 2]" 1
386 1 22 LEU H 1 34 ARG H 2.920 . 4.040 2.877 2.641 3.045 . 0 0 "[ . 1 . 2]" 1
387 1 22 LEU QD 1 35 PRO HA 4.715 . 7.630 6.892 6.491 7.110 . 0 0 "[ . 1 . 2]" 1
388 1 22 LEU QD 1 36 LYS HA 3.850 . 5.900 5.125 4.251 5.876 . 0 0 "[ . 1 . 2]" 1
389 1 22 LEU QD 1 36 LYS QB 5.030 . 8.260 5.229 4.633 5.765 . 0 0 "[ . 1 . 2]" 1
390 1 22 LEU QD 1 36 LYS QG 5.155 . 8.510 4.814 3.956 5.787 . 0 0 "[ . 1 . 2]" 1
391 1 22 LEU QD 1 37 GLY H 4.950 . 8.100 5.971 5.300 6.733 . 0 0 "[ . 1 . 2]" 1
392 1 23 CYS HA 1 33 CYS H 3.605 . 5.410 3.431 3.121 3.630 . 0 0 "[ . 1 . 2]" 1
393 1 23 CYS HA 1 33 CYS HA 2.335 . 2.870 1.744 1.631 1.871 0.169 18 0 "[ . 1 . 2]" 1
394 1 23 CYS HA 1 34 ARG H 3.540 . 5.280 3.446 3.286 3.573 . 0 0 "[ . 1 . 2]" 1
395 1 24 SER H 1 32 SER H 2.660 . 3.520 2.751 2.612 2.902 . 0 0 "[ . 1 . 2]" 1
396 1 24 SER H 1 33 CYS HA 2.535 . 3.270 2.925 2.787 3.032 . 0 0 "[ . 1 . 2]" 1
397 1 24 SER H 1 34 ARG H 3.435 . 5.070 3.768 3.556 3.974 . 0 0 "[ . 1 . 2]" 1
398 1 24 SER HB3 1 34 ARG QB 3.205 . 4.610 3.560 3.295 3.976 . 0 0 "[ . 1 . 2]" 1
399 1 24 SER HB3 1 34 ARG HG2 2.985 . 4.170 3.233 2.886 4.204 0.034 19 0 "[ . 1 . 2]" 1
400 1 24 SER HB3 1 34 ARG HG3 2.985 . 4.170 3.199 2.504 3.475 . 0 0 "[ . 1 . 2]" 1
401 1 24 SER HB3 1 34 ARG QG 2.830 . 3.860 2.834 2.486 2.956 . 0 0 "[ . 1 . 2]" 1
402 1 24 SER HB3 1 34 ARG QD 3.420 . 5.040 4.905 3.749 5.079 0.039 20 0 "[ . 1 . 2]" 1
403 1 25 CYS HA 1 31 CYS H 3.650 . 5.500 4.900 4.806 5.059 . 0 0 "[ . 1 . 2]" 1
404 1 25 CYS HA 1 31 CYS HA 2.455 . 3.110 2.855 2.721 3.072 . 0 0 "[ . 1 . 2]" 1
405 1 25 CYS HA 1 31 CYS HB2 3.060 . 4.320 4.345 4.153 4.440 0.120 12 0 "[ . 1 . 2]" 1
406 1 25 CYS HA 1 32 SER H 3.295 . 4.790 4.058 3.834 4.359 . 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 18
_Distance_constraint_stats_list.Viol_count 144
_Distance_constraint_stats_list.Viol_total 102.756
_Distance_constraint_stats_list.Viol_max 0.141
_Distance_constraint_stats_list.Viol_rms 0.0278
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0143
_Distance_constraint_stats_list.Viol_average_violations_only 0.0357
_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 3 LEU 0.988 0.062 16 0 "[ . 1 . 2]"
1 7 ALA 3.360 0.141 16 0 "[ . 1 . 2]"
1 9 CYS 0.167 0.037 13 0 "[ . 1 . 2]"
1 16 SER 0.104 0.031 12 0 "[ . 1 . 2]"
1 18 CYS 0.884 0.062 16 0 "[ . 1 . 2]"
1 22 LEU 0.316 0.041 18 0 "[ . 1 . 2]"
1 24 SER 0.307 0.055 3 0 "[ . 1 . 2]"
1 31 CYS 0.167 0.037 13 0 "[ . 1 . 2]"
1 32 SER 0.307 0.055 3 0 "[ . 1 . 2]"
1 33 CYS 3.360 0.141 16 0 "[ . 1 . 2]"
1 34 ARG 0.316 0.041 18 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 3 LEU N 1 16 SER O 2.400 . 3.000 2.779 2.699 2.966 . 0 0 "[ . 1 . 2]" 2
2 1 3 LEU H 1 16 SER O 2.050 . 2.300 1.859 1.769 2.097 0.031 12 0 "[ . 1 . 2]" 2
3 1 7 ALA O 1 33 CYS N 2.400 . 3.000 2.650 2.595 2.692 . 0 0 "[ . 1 . 2]" 2
4 1 7 ALA O 1 33 CYS H 2.050 . 2.300 1.758 1.737 1.793 0.063 18 0 "[ . 1 . 2]" 2
5 1 7 ALA N 1 33 CYS O 2.400 . 3.000 3.108 3.083 3.141 0.141 16 0 "[ . 1 . 2]" 2
6 1 7 ALA H 1 33 CYS O 2.050 . 2.300 2.318 2.297 2.339 0.039 15 0 "[ . 1 . 2]" 2
7 1 9 CYS N 1 31 CYS O 2.400 . 3.000 2.753 2.664 2.960 . 0 0 "[ . 1 . 2]" 2
8 1 9 CYS H 1 31 CYS O 2.050 . 2.300 1.815 1.763 2.008 0.037 13 0 "[ . 1 . 2]" 2
9 1 3 LEU O 1 18 CYS N 2.400 . 3.000 2.729 2.695 2.758 . 0 0 "[ . 1 . 2]" 2
10 1 3 LEU O 1 18 CYS H 2.050 . 2.300 1.756 1.738 1.781 0.062 16 0 "[ . 1 . 2]" 2
11 1 22 LEU N 1 34 ARG O 2.400 . 3.000 3.005 2.883 3.041 0.041 18 0 "[ . 1 . 2]" 2
12 1 22 LEU H 1 34 ARG O 2.050 . 2.300 2.090 1.910 2.242 . 0 0 "[ . 1 . 2]" 2
13 1 22 LEU O 1 34 ARG N 2.400 . 3.000 2.774 2.743 2.819 . 0 0 "[ . 1 . 2]" 2
14 1 22 LEU O 1 34 ARG H 2.050 . 2.300 1.808 1.781 1.852 0.019 5 0 "[ . 1 . 2]" 2
15 1 24 SER O 1 32 SER N 2.400 . 3.000 2.989 2.857 3.055 0.055 3 0 "[ . 1 . 2]" 2
16 1 24 SER O 1 32 SER H 2.050 . 2.300 2.083 1.921 2.239 . 0 0 "[ . 1 . 2]" 2
17 1 24 SER N 1 32 SER O 2.400 . 3.000 2.803 2.754 2.958 . 0 0 "[ . 1 . 2]" 2
18 1 24 SER H 1 32 SER O 2.050 . 2.300 1.850 1.792 2.067 0.008 18 0 "[ . 1 . 2]" 2
stop_
save_
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