NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563091 |
2lwr   |
18642 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lwr
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 559
_Distance_constraint_stats_list.Viol_count 1078
_Distance_constraint_stats_list.Viol_total 1852.780
_Distance_constraint_stats_list.Viol_max 0.573
_Distance_constraint_stats_list.Viol_rms 0.0365
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0905
_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 4 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 5 ALA 2.217 0.349 13 0 "[ . 1 . ]"
1 6 ARG 2.217 0.349 13 0 "[ . 1 . ]"
1 7 TRP 1.497 0.234 15 0 "[ . 1 . ]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 9 GLU 0.250 0.205 7 0 "[ . 1 . ]"
1 10 ALA 0.250 0.205 7 0 "[ . 1 . ]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 14 THR 3.001 0.303 16 0 "[ . 1 . ]"
1 15 ILE 3.001 0.303 16 0 "[ . 1 . ]"
1 16 LYS 5.280 0.398 18 0 "[ . 1 . ]"
1 17 VAL 2.304 0.307 17 0 "[ . 1 . ]"
1 19 THR 4.419 0.305 18 0 "[ . 1 . ]"
1 20 LYS 8.531 0.398 18 0 "[ . 1 . ]"
1 21 PRO 1.258 0.154 5 0 "[ . 1 . ]"
1 22 CYS 2.788 0.198 13 0 "[ . 1 . ]"
1 23 PRO 2.941 0.248 19 0 "[ . 1 . ]"
1 24 LYS 5.220 0.248 19 0 "[ . 1 . ]"
1 25 CYS 0.043 0.043 12 0 "[ . 1 . ]"
1 26 ARG 5.473 0.189 16 0 "[ . 1 . ]"
1 27 THR 1.179 0.163 9 0 "[ . 1 . ]"
1 28 PRO 1.365 0.163 9 0 "[ . 1 . ]"
1 29 THR 4.441 0.279 11 0 "[ . 1 . ]"
1 30 GLU 1.848 0.285 6 0 "[ . 1 . ]"
1 31 ARG 8.790 0.364 15 0 "[ . 1 . ]"
1 32 ASP 1.182 0.364 15 0 "[ . 1 . ]"
1 35 CYS 3.570 0.272 6 0 "[ . 1 . ]"
1 36 MET 7.767 0.306 7 0 "[ . 1 . ]"
1 37 HIS 4.102 0.215 12 0 "[ . 1 . ]"
1 38 MET 12.013 0.357 19 0 "[ . 1 . ]"
1 39 VAL 7.478 0.279 11 0 "[ . 1 . ]"
1 40 CYS 0.259 0.101 6 0 "[ . 1 . ]"
1 41 THR 6.102 0.196 5 0 "[ . 1 . ]"
1 42 ARG 1.987 0.130 3 0 "[ . 1 . ]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 45 CYS 1.677 0.156 12 0 "[ . 1 . ]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 47 PHE 0.985 0.080 1 0 "[ . 1 . ]"
1 48 GLU 1.423 0.127 5 0 "[ . 1 . ]"
1 49 TRP 3.291 0.158 15 0 "[ . 1 . ]"
1 50 CYS 5.369 0.241 11 0 "[ . 1 . ]"
1 51 TRP 9.560 0.289 5 0 "[ . 1 . ]"
1 52 VAL 9.311 0.573 11 1 "[ . 1+ . ]"
1 53 CYS 1.088 0.148 1 0 "[ . 1 . ]"
1 54 GLN 0.468 0.140 8 0 "[ . 1 . ]"
1 55 THR 0.558 0.162 9 0 "[ . 1 . ]"
1 56 GLU 4.231 0.240 17 0 "[ . 1 . ]"
1 57 TRP 0.897 0.240 17 0 "[ . 1 . ]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 59 ARG 1.387 0.232 14 0 "[ . 1 . ]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 61 CYS 2.043 0.262 17 0 "[ . 1 . ]"
1 62 MET 1.199 0.204 14 0 "[ . 1 . ]"
1 63 GLY 0.172 0.040 7 0 "[ . 1 . ]"
1 64 ALA 0.374 0.192 19 0 "[ . 1 . ]"
1 65 HIS 11.212 0.573 11 1 "[ . 1+ . ]"
1 66 TRP 7.128 0.354 9 0 "[ . 1 . ]"
1 67 PHE 2.170 0.272 6 0 "[ . 1 . ]"
1 68 GLY 0.670 0.180 7 0 "[ . 1 . ]"
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 THR H 1 19 THR HB 3.940 . 3.940 3.658 3.245 3.808 . 0 0 "[ . 1 . ]" 1
2 1 19 THR H 1 19 THR MG 3.600 . 3.600 3.146 2.697 3.525 . 0 0 "[ . 1 . ]" 1
3 1 64 ALA MB 1 65 HIS H 4.170 . 4.170 2.966 2.422 3.715 . 0 0 "[ . 1 . ]" 1
4 1 67 PHE HB2 1 68 GLY H 5.420 . 5.420 4.029 2.607 4.589 . 0 0 "[ . 1 . ]" 1
5 1 24 LYS H 1 26 ARG H 3.470 . 3.470 2.956 2.826 3.091 . 0 0 "[ . 1 . ]" 1
6 1 26 ARG H 1 26 ARG HA 2.910 . 2.910 2.253 2.233 2.276 . 0 0 "[ . 1 . ]" 1
7 1 22 CYS QB 1 26 ARG H 3.280 . 3.280 2.054 1.831 2.273 . 0 0 "[ . 1 . ]" 1
8 1 24 LYS HB2 1 26 ARG H 4.310 . 4.310 4.312 3.921 4.477 0.167 2 0 "[ . 1 . ]" 1
9 1 26 ARG H 1 27 THR MG 4.550 . 4.550 4.381 4.204 4.557 0.007 4 0 "[ . 1 . ]" 1
10 1 52 VAL H 1 65 HIS HD1 3.600 . 3.600 3.384 2.209 3.879 0.279 10 0 "[ . 1 . ]" 1
11 1 51 TRP H 1 52 VAL H 3.740 . 3.740 3.005 2.419 3.903 0.163 1 0 "[ . 1 . ]" 1
12 1 51 TRP HB3 1 52 VAL H 3.650 . 3.650 2.400 2.083 2.732 . 0 0 "[ . 1 . ]" 1
13 1 52 VAL H 1 52 VAL HB 3.160 . 3.160 2.671 2.511 2.865 . 0 0 "[ . 1 . ]" 1
14 1 52 VAL H 1 52 VAL MG1 3.930 . 3.930 3.773 3.737 3.808 . 0 0 "[ . 1 . ]" 1
15 1 36 MET HG2 1 52 VAL H 4.340 . 4.340 3.439 2.894 3.988 . 0 0 "[ . 1 . ]" 1
16 1 52 VAL H 1 52 VAL MG2 3.930 . 3.930 1.945 1.764 2.081 . 0 0 "[ . 1 . ]" 1
17 1 50 CYS HA 1 52 VAL H 5.380 . 5.380 4.478 4.067 4.889 . 0 0 "[ . 1 . ]" 1
18 1 24 LYS H 1 24 LYS HB3 3.910 . 3.910 3.682 3.543 3.761 . 0 0 "[ . 1 . ]" 1
19 1 24 LYS H 1 24 LYS HB2 3.110 . 3.110 2.524 2.333 2.717 . 0 0 "[ . 1 . ]" 1
20 1 22 CYS QB 1 25 CYS H 3.590 . 3.590 2.765 2.452 3.048 . 0 0 "[ . 1 . ]" 1
21 1 24 LYS H 1 47 PHE QD 5.160 . 5.160 4.658 4.363 5.031 . 0 0 "[ . 1 . ]" 1
22 1 25 CYS H 1 26 ARG H 3.280 . 3.280 2.337 2.117 2.528 . 0 0 "[ . 1 . ]" 1
23 1 40 CYS HB2 1 41 THR H 4.540 . 4.540 4.330 4.047 4.485 . 0 0 "[ . 1 . ]" 1
24 1 40 CYS HB3 1 41 THR H 4.540 . 4.540 4.251 3.953 4.418 . 0 0 "[ . 1 . ]" 1
25 1 41 THR H 1 41 THR MG 3.330 . 3.330 1.904 1.726 2.623 . 0 0 "[ . 1 . ]" 1
26 1 29 THR MG 1 41 THR H 4.470 . 4.470 2.871 2.021 3.913 . 0 0 "[ . 1 . ]" 1
27 1 41 THR H 1 42 ARG HB2 5.110 . 5.110 4.675 4.124 5.103 . 0 0 "[ . 1 . ]" 1
28 1 23 PRO HD3 1 24 LYS H 4.760 . 4.760 3.963 3.779 4.116 . 0 0 "[ . 1 . ]" 1
29 1 23 PRO HD2 1 24 LYS H 4.230 . 4.230 2.885 2.604 3.121 . 0 0 "[ . 1 . ]" 1
30 1 13 VAL H 1 13 VAL HB 4.170 . 4.170 3.002 2.553 3.848 . 0 0 "[ . 1 . ]" 1
31 1 13 VAL H 1 13 VAL QG 4.000 . 4.000 2.249 1.842 3.197 . 0 0 "[ . 1 . ]" 1
32 1 59 ARG QB 1 60 ASP H 4.140 . 4.140 3.161 2.659 3.752 . 0 0 "[ . 1 . ]" 1
33 1 58 THR MG 1 60 ASP H 4.680 . 4.680 2.293 1.684 3.942 . 0 0 "[ . 1 . ]" 1
34 1 37 HIS H 1 37 HIS HB2 3.240 . 3.240 2.812 2.158 3.095 . 0 0 "[ . 1 . ]" 1
35 1 37 HIS H 1 38 MET H 4.380 . 4.380 4.305 4.128 4.471 0.091 12 0 "[ . 1 . ]" 1
36 1 37 HIS H 1 37 HIS HB3 3.240 . 3.240 2.717 2.358 3.384 0.144 6 0 "[ . 1 . ]" 1
37 1 35 CYS HA 1 37 HIS H 4.640 . 4.640 4.223 3.920 4.668 0.028 9 0 "[ . 1 . ]" 1
38 1 37 HIS H 1 51 TRP HE3 4.970 . 4.970 4.395 3.423 5.125 0.155 17 0 "[ . 1 . ]" 1
39 1 35 CYS H 1 35 CYS HB2 3.750 . 3.750 3.044 2.519 3.870 0.120 19 0 "[ . 1 . ]" 1
40 1 35 CYS H 1 35 CYS HB3 3.750 . 3.750 3.482 2.428 3.997 0.247 12 0 "[ . 1 . ]" 1
41 1 61 CYS H 1 61 CYS HB3 3.880 . 3.880 3.185 2.652 3.613 . 0 0 "[ . 1 . ]" 1
42 1 49 TRP HA 1 50 CYS H 3.450 . 3.450 2.335 2.234 2.458 . 0 0 "[ . 1 . ]" 1
43 1 50 CYS H 1 57 TRP H 4.880 . 4.880 4.303 3.231 4.868 . 0 0 "[ . 1 . ]" 1
44 1 55 THR HA 1 56 GLU H 3.360 . 3.360 2.790 2.416 3.522 0.162 9 0 "[ . 1 . ]" 1
45 1 55 THR HB 1 56 GLU H 3.850 . 3.850 2.735 1.625 3.665 . 0 0 "[ . 1 . ]" 1
46 1 49 TRP HB2 1 50 CYS H 3.390 . 3.390 2.649 2.347 2.952 . 0 0 "[ . 1 . ]" 1
47 1 50 CYS H 1 56 GLU HA 4.680 . 4.680 4.550 3.539 4.896 0.216 7 0 "[ . 1 . ]" 1
48 1 50 CYS H 1 57 TRP HA 4.930 . 4.930 3.297 2.449 4.184 . 0 0 "[ . 1 . ]" 1
49 1 56 GLU H 1 56 GLU HB3 3.730 . 3.730 2.845 2.499 3.643 . 0 0 "[ . 1 . ]" 1
50 1 55 THR MG 1 56 GLU H 3.810 . 3.810 2.814 1.680 3.890 0.080 10 0 "[ . 1 . ]" 1
51 1 61 CYS H 1 61 CYS HB2 3.880 . 3.880 3.200 2.342 3.728 . 0 0 "[ . 1 . ]" 1
52 1 59 ARG HA 1 61 CYS H 4.670 . 4.670 4.101 3.614 4.585 . 0 0 "[ . 1 . ]" 1
53 1 60 ASP H 1 61 CYS H 3.900 . 3.900 2.512 2.027 2.869 . 0 0 "[ . 1 . ]" 1
54 1 47 PHE QE 1 56 GLU H 4.470 . 4.470 4.144 3.338 4.515 0.045 7 0 "[ . 1 . ]" 1
55 1 58 THR MG 1 61 CYS H 4.890 . 4.890 2.615 1.795 4.506 . 0 0 "[ . 1 . ]" 1
56 1 39 VAL HA 1 49 TRP H 4.210 . 4.210 3.447 3.160 3.733 . 0 0 "[ . 1 . ]" 1
57 1 48 GLU HB2 1 49 TRP H 4.500 . 4.500 4.061 3.849 4.357 . 0 0 "[ . 1 . ]" 1
58 1 48 GLU HB3 1 49 TRP H 4.500 . 4.500 3.078 2.734 3.583 . 0 0 "[ . 1 . ]" 1
59 1 64 ALA H 1 64 ALA MB 3.050 . 3.050 2.329 2.229 2.648 . 0 0 "[ . 1 . ]" 1
60 1 64 ALA H 1 65 HIS H 3.720 . 3.720 2.477 1.929 3.655 . 0 0 "[ . 1 . ]" 1
61 1 38 MET HA 1 39 VAL H 2.950 . 2.950 2.174 2.113 2.253 . 0 0 "[ . 1 . ]" 1
62 1 9 GLU H 1 9 GLU QG 4.630 . 4.630 3.414 2.089 4.345 . 0 0 "[ . 1 . ]" 1
63 1 39 VAL H 1 39 VAL HB 3.460 . 3.460 2.663 2.548 2.760 . 0 0 "[ . 1 . ]" 1
64 1 39 VAL H 1 39 VAL MG1 4.070 . 4.070 3.864 3.826 3.904 . 0 0 "[ . 1 . ]" 1
65 1 39 VAL H 1 39 VAL MG2 3.590 . 3.590 2.627 2.351 2.806 . 0 0 "[ . 1 . ]" 1
66 1 61 CYS HA 1 64 ALA H 5.060 . 5.060 4.023 3.444 4.594 . 0 0 "[ . 1 . ]" 1
67 1 19 THR HA 1 20 LYS H 2.850 . 2.850 2.190 2.067 2.398 . 0 0 "[ . 1 . ]" 1
68 1 38 MET HG3 1 39 VAL H 4.630 . 4.630 3.940 3.203 4.303 . 0 0 "[ . 1 . ]" 1
69 1 16 LYS HA 1 17 VAL H 3.430 . 3.430 2.606 2.082 3.532 0.102 5 0 "[ . 1 . ]" 1
70 1 17 VAL H 1 17 VAL HB 4.070 . 4.070 3.242 2.425 3.750 . 0 0 "[ . 1 . ]" 1
71 1 17 VAL H 1 17 VAL QG 3.940 . 3.940 2.171 1.756 2.954 . 0 0 "[ . 1 . ]" 1
72 1 27 THR H 1 27 THR MG 3.720 . 3.720 2.629 2.362 3.127 . 0 0 "[ . 1 . ]" 1
73 1 26 ARG HA 1 27 THR H 3.050 . 3.050 2.933 2.428 3.054 0.004 12 0 "[ . 1 . ]" 1
74 1 26 ARG H 1 27 THR H 3.590 . 3.590 2.662 2.545 3.004 . 0 0 "[ . 1 . ]" 1
75 1 20 LYS H 1 29 THR HB 4.100 . 4.100 3.098 2.662 3.493 . 0 0 "[ . 1 . ]" 1
76 1 19 THR HB 1 20 LYS H 3.280 . 3.280 3.054 2.393 3.465 0.185 15 0 "[ . 1 . ]" 1
77 1 20 LYS H 1 20 LYS HG2 4.480 . 4.480 2.747 2.395 3.539 . 0 0 "[ . 1 . ]" 1
78 1 20 LYS H 1 20 LYS HG3 4.480 . 4.480 3.747 2.620 4.371 . 0 0 "[ . 1 . ]" 1
79 1 20 LYS H 1 21 PRO HD2 5.000 . 5.000 4.926 4.826 5.122 0.122 7 0 "[ . 1 . ]" 1
80 1 19 THR H 1 20 LYS H 4.750 . 4.750 4.365 4.219 4.567 . 0 0 "[ . 1 . ]" 1
81 1 29 THR H 1 29 THR HB 3.770 . 3.770 2.490 2.435 2.584 . 0 0 "[ . 1 . ]" 1
82 1 19 THR HB 1 29 THR H 3.800 . 3.800 3.049 2.381 3.859 0.059 17 0 "[ . 1 . ]" 1
83 1 29 THR H 1 29 THR MG 3.990 . 3.990 3.767 3.744 3.787 . 0 0 "[ . 1 . ]" 1
84 1 19 THR MG 1 29 THR H 3.920 . 3.920 3.841 3.010 3.980 0.060 12 0 "[ . 1 . ]" 1
85 1 22 CYS H 1 29 THR H 4.400 . 4.400 3.903 3.614 4.149 . 0 0 "[ . 1 . ]" 1
86 1 29 THR H 1 30 GLU H 4.630 . 4.630 4.407 4.357 4.470 . 0 0 "[ . 1 . ]" 1
87 1 20 LYS H 1 29 THR H 3.390 . 3.390 3.149 2.856 3.447 0.057 7 0 "[ . 1 . ]" 1
88 1 19 THR HA 1 29 THR H 5.060 . 5.060 4.339 3.898 4.858 . 0 0 "[ . 1 . ]" 1
89 1 45 CYS H 1 46 GLY H 3.580 . 3.580 2.710 2.271 2.982 . 0 0 "[ . 1 . ]" 1
90 1 43 ALA HA 1 45 CYS H 4.280 . 4.280 3.581 3.249 3.750 . 0 0 "[ . 1 . ]" 1
91 1 45 CYS H 1 45 CYS HB2 3.350 . 3.350 2.752 2.231 3.187 . 0 0 "[ . 1 . ]" 1
92 1 45 CYS H 1 45 CYS HB3 3.350 . 3.350 2.812 2.623 3.506 0.156 12 0 "[ . 1 . ]" 1
93 1 42 ARG QG 1 45 CYS H 4.710 . 4.710 3.305 2.641 4.670 . 0 0 "[ . 1 . ]" 1
94 1 43 ALA MB 1 45 CYS H 4.970 . 4.970 4.420 4.151 4.649 . 0 0 "[ . 1 . ]" 1
95 1 31 ARG H 1 31 ARG HB3 3.900 . 3.900 2.927 2.253 3.611 . 0 0 "[ . 1 . ]" 1
96 1 14 THR HA 1 15 ILE H 3.340 . 3.340 3.061 2.091 3.502 0.162 8 0 "[ . 1 . ]" 1
97 1 19 THR HA 1 31 ARG H 4.410 . 4.410 3.283 2.421 4.416 0.006 7 0 "[ . 1 . ]" 1
98 1 31 ARG H 1 38 MET ME 5.500 . 5.500 4.420 3.314 5.694 0.194 8 0 "[ . 1 . ]" 1
99 1 15 ILE H 1 15 ILE HG13 4.950 . 4.950 4.284 2.785 4.850 . 0 0 "[ . 1 . ]" 1
100 1 30 GLU H 1 31 ARG H 4.620 . 4.620 4.475 4.246 4.601 . 0 0 "[ . 1 . ]" 1
101 1 47 PHE H 1 47 PHE HB2 2.920 . 2.920 2.606 2.442 2.817 . 0 0 "[ . 1 . ]" 1
102 1 47 PHE H 1 47 PHE HB3 3.300 . 3.300 2.556 2.457 2.817 . 0 0 "[ . 1 . ]" 1
103 1 15 ILE H 1 15 ILE HG12 4.950 . 4.950 3.956 2.089 4.735 . 0 0 "[ . 1 . ]" 1
104 1 46 GLY H 1 47 PHE H 3.440 . 3.440 2.645 2.413 2.877 . 0 0 "[ . 1 . ]" 1
105 1 47 PHE H 1 47 PHE QD 4.490 . 4.490 4.195 4.116 4.297 . 0 0 "[ . 1 . ]" 1
106 1 21 PRO HA 1 22 CYS H 2.900 . 2.900 2.139 2.124 2.158 . 0 0 "[ . 1 . ]" 1
107 1 22 CYS H 1 22 CYS QB 2.870 . 2.870 2.195 2.167 2.218 . 0 0 "[ . 1 . ]" 1
108 1 21 PRO HB3 1 22 CYS H 4.210 . 4.210 3.904 3.302 4.041 . 0 0 "[ . 1 . ]" 1
109 1 21 PRO HB2 1 22 CYS H 3.860 . 3.860 3.511 3.370 3.869 0.009 7 0 "[ . 1 . ]" 1
110 1 47 PHE HA 1 48 GLU H 2.870 . 2.870 2.200 2.142 2.377 . 0 0 "[ . 1 . ]" 1
111 1 47 PHE QD 1 48 GLU H 3.550 . 3.550 3.320 2.860 3.629 0.079 10 0 "[ . 1 . ]" 1
112 1 22 CYS H 1 26 ARG H 4.300 . 4.300 3.417 3.063 3.868 . 0 0 "[ . 1 . ]" 1
113 1 22 CYS H 1 27 THR H 3.850 . 3.850 2.707 1.908 2.971 . 0 0 "[ . 1 . ]" 1
114 1 47 PHE H 1 48 GLU H 4.680 . 4.680 4.520 4.438 4.574 . 0 0 "[ . 1 . ]" 1
115 1 29 THR HA 1 30 GLU H 2.840 . 2.840 2.137 2.079 2.168 . 0 0 "[ . 1 . ]" 1
116 1 30 GLU H 1 30 GLU HB3 3.830 . 3.830 3.426 2.470 3.602 . 0 0 "[ . 1 . ]" 1
117 1 29 THR MG 1 30 GLU H 3.330 . 3.330 2.880 2.657 3.015 . 0 0 "[ . 1 . ]" 1
118 1 19 THR MG 1 30 GLU H 4.240 . 4.240 3.213 2.649 3.681 . 0 0 "[ . 1 . ]" 1
119 1 31 ARG HA 1 32 ASP H 3.500 . 3.500 2.203 2.048 2.634 . 0 0 "[ . 1 . ]" 1
120 1 32 ASP H 1 32 ASP HB2 4.160 . 4.160 3.135 2.365 3.968 . 0 0 "[ . 1 . ]" 1
121 1 32 ASP H 1 32 ASP HB3 4.160 . 4.160 2.988 2.448 3.858 . 0 0 "[ . 1 . ]" 1
122 1 32 ASP H 1 38 MET ME 5.500 . 5.500 4.142 2.999 5.316 . 0 0 "[ . 1 . ]" 1
123 1 49 TRP HA 1 57 TRP H 4.070 . 4.070 3.018 2.454 3.544 . 0 0 "[ . 1 . ]" 1
124 1 56 GLU HA 1 57 TRP H 3.230 . 3.230 2.335 2.102 2.705 . 0 0 "[ . 1 . ]" 1
125 1 49 TRP HB3 1 57 TRP H 4.590 . 4.590 3.809 3.120 4.648 0.058 13 0 "[ . 1 . ]" 1
126 1 57 TRP H 1 57 TRP HB2 3.710 . 3.710 3.583 3.535 3.636 . 0 0 "[ . 1 . ]" 1
127 1 57 TRP H 1 57 TRP HB3 3.710 . 3.710 2.443 2.262 2.703 . 0 0 "[ . 1 . ]" 1
128 1 56 GLU HG3 1 57 TRP H 4.770 . 4.770 4.031 3.139 4.845 0.075 1 0 "[ . 1 . ]" 1
129 1 56 GLU HB3 1 57 TRP H 4.790 . 4.790 3.705 2.284 4.060 . 0 0 "[ . 1 . ]" 1
130 1 38 MET H 1 38 MET HB3 4.150 . 4.150 3.216 2.750 3.567 . 0 0 "[ . 1 . ]" 1
131 1 38 MET H 1 38 MET HG2 4.740 . 4.740 4.549 4.335 4.661 . 0 0 "[ . 1 . ]" 1
132 1 38 MET H 1 38 MET HB2 4.150 . 4.150 2.434 2.186 2.596 . 0 0 "[ . 1 . ]" 1
133 1 42 ARG H 1 42 ARG HB2 3.060 . 3.060 2.648 2.395 2.862 . 0 0 "[ . 1 . ]" 1
134 1 42 ARG H 1 42 ARG HB3 3.140 . 3.140 2.452 2.318 2.651 . 0 0 "[ . 1 . ]" 1
135 1 40 CYS HA 1 42 ARG H 4.870 . 4.870 3.532 3.390 3.731 . 0 0 "[ . 1 . ]" 1
136 1 37 HIS HD2 1 38 MET H 4.220 . 4.220 3.383 2.229 4.095 . 0 0 "[ . 1 . ]" 1
137 1 41 THR H 1 42 ARG H 3.320 . 3.320 2.669 2.323 3.012 . 0 0 "[ . 1 . ]" 1
138 1 41 THR MG 1 42 ARG H 4.400 . 4.400 3.499 3.224 4.299 . 0 0 "[ . 1 . ]" 1
139 1 42 ARG H 1 45 CYS HB2 4.400 . 4.400 4.416 3.426 4.530 0.130 3 0 "[ . 1 . ]" 1
140 1 42 ARG H 1 46 GLY H 4.490 . 4.490 3.636 3.095 4.335 . 0 0 "[ . 1 . ]" 1
141 1 45 CYS HB3 1 46 GLY H 3.620 . 3.620 1.878 1.743 2.599 . 0 0 "[ . 1 . ]" 1
142 1 39 VAL HA 1 40 CYS H 2.810 . 2.810 2.169 2.129 2.190 . 0 0 "[ . 1 . ]" 1
143 1 40 CYS H 1 40 CYS HB2 3.140 . 3.140 2.578 2.483 2.652 . 0 0 "[ . 1 . ]" 1
144 1 39 VAL MG1 1 40 CYS H 3.450 . 3.450 2.769 2.509 2.975 . 0 0 "[ . 1 . ]" 1
145 1 39 VAL MG2 1 40 CYS H 4.220 . 4.220 4.140 4.031 4.213 . 0 0 "[ . 1 . ]" 1
146 1 40 CYS H 1 48 GLU HA 4.220 . 4.220 3.182 2.850 3.639 . 0 0 "[ . 1 . ]" 1
147 1 40 CYS H 1 49 TRP HE1 4.390 . 4.390 3.237 2.716 3.711 . 0 0 "[ . 1 . ]" 1
148 1 39 VAL H 1 40 CYS H 4.370 . 4.370 4.282 4.137 4.422 0.052 6 0 "[ . 1 . ]" 1
149 1 51 TRP H 1 66 TRP HE3 4.850 . 4.850 4.500 4.159 4.930 0.080 1 0 "[ . 1 . ]" 1
150 1 50 CYS HA 1 51 TRP H 3.160 . 3.160 2.171 2.022 2.462 . 0 0 "[ . 1 . ]" 1
151 1 51 TRP H 1 51 TRP HB3 3.080 . 3.080 2.587 2.278 3.120 0.040 1 0 "[ . 1 . ]" 1
152 1 36 MET HG2 1 51 TRP H 4.720 . 4.720 3.403 2.077 4.492 . 0 0 "[ . 1 . ]" 1
153 1 22 CYS HA 1 49 TRP HE1 3.900 . 3.900 3.334 3.008 3.703 . 0 0 "[ . 1 . ]" 1
154 1 22 CYS QB 1 49 TRP HE1 4.480 . 4.480 3.660 3.254 3.950 . 0 0 "[ . 1 . ]" 1
155 1 40 CYS H 1 40 CYS HB3 3.140 . 3.140 2.533 2.460 2.605 . 0 0 "[ . 1 . ]" 1
156 1 24 LYS HB2 1 25 CYS H 3.240 . 3.240 2.269 1.842 2.512 . 0 0 "[ . 1 . ]" 1
157 1 20 LYS H 1 49 TRP HH2 5.010 . 5.010 4.743 4.453 5.147 0.137 4 0 "[ . 1 . ]" 1
158 1 22 CYS H 1 24 LYS H 4.830 . 4.830 4.925 4.824 5.028 0.198 13 0 "[ . 1 . ]" 1
159 1 47 PHE QE 1 48 GLU H 4.570 . 4.570 4.272 3.798 4.602 0.032 13 0 "[ . 1 . ]" 1
160 1 48 GLU H 1 49 TRP HD1 4.870 . 4.870 4.061 3.680 4.376 . 0 0 "[ . 1 . ]" 1
161 1 22 CYS H 1 26 ARG HA 3.900 . 3.900 2.519 2.242 2.949 . 0 0 "[ . 1 . ]" 1
162 1 25 CYS H 1 27 THR H 4.590 . 4.590 3.961 3.791 4.377 . 0 0 "[ . 1 . ]" 1
163 1 22 CYS QB 1 27 THR H 3.010 . 3.010 2.144 1.867 2.367 . 0 0 "[ . 1 . ]" 1
164 1 30 GLU HA 1 31 ARG H 3.150 . 3.150 2.146 2.067 2.276 . 0 0 "[ . 1 . ]" 1
165 1 31 ARG H 1 31 ARG HB2 3.900 . 3.900 3.549 2.603 3.846 . 0 0 "[ . 1 . ]" 1
166 1 19 THR MG 1 31 ARG H 3.560 . 3.560 3.514 2.715 3.770 0.210 15 0 "[ . 1 . ]" 1
167 1 36 MET H 1 37 HIS H 4.120 . 4.120 2.763 2.355 3.497 . 0 0 "[ . 1 . ]" 1
168 1 37 HIS HA 1 38 MET H 3.170 . 3.170 2.191 2.136 2.271 . 0 0 "[ . 1 . ]" 1
169 1 42 ARG H 1 42 ARG QD 4.810 . 4.810 4.358 4.179 4.459 . 0 0 "[ . 1 . ]" 1
170 1 42 ARG H 1 45 CYS HB3 4.400 . 4.400 3.440 3.152 4.409 0.009 12 0 "[ . 1 . ]" 1
171 1 42 ARG HB3 1 45 CYS H 4.100 . 4.100 3.526 3.167 3.876 . 0 0 "[ . 1 . ]" 1
172 1 42 ARG QD 1 45 CYS H 4.250 . 4.250 3.855 2.487 4.279 0.029 9 0 "[ . 1 . ]" 1
173 1 36 MET HG3 1 51 TRP H 4.720 . 4.720 4.082 2.009 4.818 0.098 1 0 "[ . 1 . ]" 1
174 1 36 MET HG3 1 52 VAL H 4.340 . 4.340 3.946 2.969 4.476 0.136 17 0 "[ . 1 . ]" 1
175 1 51 TRP HD1 1 52 VAL H 4.410 . 4.410 3.397 2.524 4.174 . 0 0 "[ . 1 . ]" 1
176 1 47 PHE HZ 1 56 GLU H 4.780 . 4.780 4.165 2.348 4.847 0.067 12 0 "[ . 1 . ]" 1
177 1 57 TRP H 1 57 TRP HZ3 5.500 . 5.500 4.162 3.830 5.367 . 0 0 "[ . 1 . ]" 1
178 1 40 CYS H 1 41 THR H 4.780 . 4.780 4.339 4.160 4.584 . 0 0 "[ . 1 . ]" 1
179 1 22 CYS HA 1 24 LYS H 4.410 . 4.410 3.783 3.681 3.880 . 0 0 "[ . 1 . ]" 1
180 1 27 THR H 1 27 THR HB 3.810 . 3.810 3.563 3.445 3.678 . 0 0 "[ . 1 . ]" 1
181 1 22 CYS QB 1 27 THR HB 4.840 . 4.840 4.592 4.224 4.906 0.066 11 0 "[ . 1 . ]" 1
182 1 52 VAL HA 1 52 VAL MG2 3.640 . 3.640 2.462 2.380 2.612 . 0 0 "[ . 1 . ]" 1
183 1 28 PRO HA 1 29 THR H 2.980 . 2.980 2.256 2.174 2.372 . 0 0 "[ . 1 . ]" 1
184 1 21 PRO HA 1 28 PRO HA 3.760 . 3.760 3.444 2.941 3.794 0.034 1 0 "[ . 1 . ]" 1
185 1 19 THR HB 1 28 PRO HA 3.310 . 3.310 2.449 2.237 2.951 . 0 0 "[ . 1 . ]" 1
186 1 21 PRO HD3 1 28 PRO HA 5.200 . 5.200 4.919 4.327 5.243 0.043 4 0 "[ . 1 . ]" 1
187 1 19 THR HA 1 29 THR HB 5.170 . 5.170 4.808 4.412 5.230 0.060 17 0 "[ . 1 . ]" 1
188 1 35 CYS HA 1 67 PHE HA 4.790 . 4.790 3.574 2.175 4.694 . 0 0 "[ . 1 . ]" 1
189 1 49 TRP HH2 1 54 GLN HA 5.360 . 5.360 4.922 4.164 5.500 0.140 8 0 "[ . 1 . ]" 1
190 1 59 ARG HA 1 59 ARG QG 3.920 . 3.920 2.576 2.303 3.488 . 0 0 "[ . 1 . ]" 1
191 1 42 ARG HA 1 42 ARG QD 4.050 . 4.050 3.983 3.103 4.123 0.073 1 0 "[ . 1 . ]" 1
192 1 31 ARG HA 1 38 MET HG3 4.470 . 4.470 3.351 2.366 4.485 0.015 7 0 "[ . 1 . ]" 1
193 1 22 CYS HA 1 23 PRO HD3 3.340 . 3.340 2.373 2.235 2.465 . 0 0 "[ . 1 . ]" 1
194 1 31 ARG HA 1 38 MET ME 4.090 . 4.090 2.919 1.813 4.109 0.019 8 0 "[ . 1 . ]" 1
195 1 22 CYS HA 1 23 PRO HG3 4.710 . 4.710 4.470 4.412 4.519 . 0 0 "[ . 1 . ]" 1
196 1 48 GLU HA 1 49 TRP H 3.270 . 3.270 2.179 2.112 2.248 . 0 0 "[ . 1 . ]" 1
197 1 39 VAL HA 1 48 GLU HA 3.470 . 3.470 2.409 2.189 2.715 . 0 0 "[ . 1 . ]" 1
198 1 49 TRP HA 1 56 GLU HA 3.590 . 3.590 3.400 1.992 3.748 0.158 15 0 "[ . 1 . ]" 1
199 1 48 GLU HA 1 48 GLU HG3 4.020 . 4.020 3.007 2.511 3.199 . 0 0 "[ . 1 . ]" 1
200 1 27 THR HA 1 28 PRO HD3 3.140 . 3.140 2.421 2.249 2.584 . 0 0 "[ . 1 . ]" 1
201 1 23 PRO HD2 1 47 PHE QD 3.830 . 3.830 2.945 2.593 3.443 . 0 0 "[ . 1 . ]" 1
202 1 23 PRO HD2 1 49 TRP HD1 4.190 . 4.190 3.753 3.364 4.187 . 0 0 "[ . 1 . ]" 1
203 1 20 LYS HA 1 21 PRO HD3 3.130 . 3.130 2.261 1.947 2.419 . 0 0 "[ . 1 . ]" 1
204 1 20 LYS HA 1 21 PRO HD2 3.460 . 3.460 2.336 2.117 2.452 . 0 0 "[ . 1 . ]" 1
205 1 22 CYS HA 1 23 PRO HD2 3.640 . 3.640 2.280 2.114 2.565 . 0 0 "[ . 1 . ]" 1
206 1 22 CYS QB 1 23 PRO HD2 4.440 . 4.440 3.305 3.188 3.432 . 0 0 "[ . 1 . ]" 1
207 1 22 CYS QB 1 23 PRO HD3 4.210 . 4.210 4.191 4.063 4.278 0.068 7 0 "[ . 1 . ]" 1
208 1 26 ARG HA 1 26 ARG HD3 4.460 . 4.460 4.295 2.871 4.634 0.174 3 0 "[ . 1 . ]" 1
209 1 17 VAL QG 1 20 LYS HE2 3.940 . 3.940 2.974 2.390 3.994 0.054 3 0 "[ . 1 . ]" 1
210 1 24 LYS HB2 1 47 PHE HB2 5.500 . 5.500 4.452 4.067 5.171 . 0 0 "[ . 1 . ]" 1
211 1 14 THR H 1 15 ILE HB 5.500 . 5.500 5.002 3.570 5.798 0.298 14 0 "[ . 1 . ]" 1
212 1 14 THR MG 1 15 ILE HB 4.820 . 4.820 3.966 2.694 5.040 0.220 14 0 "[ . 1 . ]" 1
213 1 20 LYS HB2 1 38 MET ME 4.420 . 4.420 2.711 2.136 3.228 . 0 0 "[ . 1 . ]" 1
214 1 56 GLU HA 1 56 GLU HG3 4.160 . 4.160 3.810 3.246 4.265 0.105 7 0 "[ . 1 . ]" 1
215 1 24 LYS HB3 1 25 CYS H 4.080 . 4.080 3.036 2.577 3.588 . 0 0 "[ . 1 . ]" 1
216 1 23 PRO HG2 1 24 LYS HB2 4.210 . 4.210 4.085 3.730 4.360 0.150 19 0 "[ . 1 . ]" 1
217 1 29 THR MG 1 39 VAL HB 4.520 . 4.520 4.389 4.001 4.603 0.083 6 0 "[ . 1 . ]" 1
218 1 51 TRP H 1 51 TRP HB2 3.850 . 3.850 2.388 2.163 2.607 . 0 0 "[ . 1 . ]" 1
219 1 30 GLU H 1 30 GLU HB2 3.830 . 3.830 2.503 2.136 3.540 . 0 0 "[ . 1 . ]" 1
220 1 22 CYS QB 1 24 LYS H 3.950 . 3.950 3.196 3.055 3.260 . 0 0 "[ . 1 . ]" 1
221 1 30 GLU HB2 1 31 ARG H 4.810 . 4.810 4.103 2.638 4.468 . 0 0 "[ . 1 . ]" 1
222 1 30 GLU HB3 1 31 ARG H 4.810 . 4.810 3.382 2.680 4.168 . 0 0 "[ . 1 . ]" 1
223 1 48 GLU H 1 49 TRP HB3 5.500 . 5.500 5.145 4.860 5.419 . 0 0 "[ . 1 . ]" 1
224 1 47 PHE QD 1 49 TRP HB3 5.210 . 5.210 3.390 3.014 4.008 . 0 0 "[ . 1 . ]" 1
225 1 47 PHE HZ 1 49 TRP HB3 5.450 . 5.450 4.221 3.264 5.351 . 0 0 "[ . 1 . ]" 1
226 1 23 PRO HB2 1 47 PHE QE 4.130 . 4.130 4.034 3.655 4.151 0.021 4 0 "[ . 1 . ]" 1
227 1 36 MET HA 1 51 TRP HB3 4.470 . 4.470 3.443 2.490 4.596 0.126 17 0 "[ . 1 . ]" 1
228 1 21 PRO HA 1 22 CYS QB 5.200 . 5.200 4.036 3.994 4.065 . 0 0 "[ . 1 . ]" 1
229 1 49 TRP HB2 1 56 GLU HA 5.370 . 5.370 3.649 3.058 4.110 . 0 0 "[ . 1 . ]" 1
230 1 27 THR HA 1 28 PRO HB3 5.140 . 5.140 4.959 4.799 5.092 . 0 0 "[ . 1 . ]" 1
231 1 21 PRO HB3 1 26 ARG HA 3.880 . 3.880 3.408 2.487 3.924 0.044 16 0 "[ . 1 . ]" 1
232 1 21 PRO HB2 1 26 ARG HA 3.450 . 3.450 2.578 2.174 3.073 . 0 0 "[ . 1 . ]" 1
233 1 19 THR MG 1 28 PRO HB3 3.800 . 3.800 3.335 2.983 3.710 . 0 0 "[ . 1 . ]" 1
234 1 38 MET H 1 38 MET HG3 4.230 . 4.230 4.029 3.469 4.417 0.187 11 0 "[ . 1 . ]" 1
235 1 56 GLU H 1 56 GLU HB2 3.730 . 3.730 3.599 2.616 3.945 0.215 10 0 "[ . 1 . ]" 1
236 1 38 MET HG3 1 51 TRP HB2 5.380 . 5.380 4.405 3.271 5.564 0.184 8 0 "[ . 1 . ]" 1
237 1 42 ARG QD 1 45 CYS HB3 3.950 . 3.950 3.418 3.111 4.006 0.056 12 0 "[ . 1 . ]" 1
238 1 9 GLU HB3 1 9 GLU QG 2.680 . 2.680 2.257 2.163 2.364 . 0 0 "[ . 1 . ]" 1
239 1 38 MET HG2 1 39 VAL HB 5.500 . 5.500 5.428 4.724 5.723 0.223 7 0 "[ . 1 . ]" 1
240 1 5 ALA MB 1 6 ARG HB2 4.310 . 4.310 4.197 3.567 4.422 0.112 1 0 "[ . 1 . ]" 1
241 1 5 ALA MB 1 6 ARG HB3 4.310 . 4.310 4.035 3.748 4.659 0.349 13 0 "[ . 1 . ]" 1
242 1 27 THR HB 1 28 PRO HG2 4.670 . 4.670 3.673 3.365 3.909 . 0 0 "[ . 1 . ]" 1
243 1 27 THR HB 1 28 PRO HG3 4.670 . 4.670 4.617 4.430 4.833 0.163 9 0 "[ . 1 . ]" 1
244 1 19 THR MG 1 28 PRO HG2 4.830 . 4.830 4.053 3.742 4.329 . 0 0 "[ . 1 . ]" 1
245 1 19 THR MG 1 28 PRO HG3 4.830 . 4.830 4.460 4.222 4.779 . 0 0 "[ . 1 . ]" 1
246 1 23 PRO HG3 1 47 PHE QE 4.500 . 4.500 2.523 2.238 2.896 . 0 0 "[ . 1 . ]" 1
247 1 23 PRO HG2 1 47 PHE HB3 5.500 . 5.500 4.719 4.051 5.507 0.007 2 0 "[ . 1 . ]" 1
248 1 23 PRO HG2 1 49 TRP HB3 5.500 . 5.500 4.067 3.521 4.997 . 0 0 "[ . 1 . ]" 1
249 1 52 VAL HA 1 52 VAL MG1 3.640 . 3.640 2.343 2.260 2.426 . 0 0 "[ . 1 . ]" 1
250 1 19 THR MG 1 20 LYS H 4.030 . 4.030 3.536 2.854 3.697 . 0 0 "[ . 1 . ]" 1
251 1 19 THR HA 1 19 THR MG 3.390 . 3.390 2.232 2.113 2.305 . 0 0 "[ . 1 . ]" 1
252 1 19 THR MG 1 30 GLU HA 3.880 . 3.880 2.062 1.895 2.291 . 0 0 "[ . 1 . ]" 1
253 1 29 THR HA 1 29 THR MG 3.350 . 3.350 2.393 2.316 2.451 . 0 0 "[ . 1 . ]" 1
254 1 55 THR HA 1 55 THR MG 3.480 . 3.480 2.444 2.201 3.243 . 0 0 "[ . 1 . ]" 1
255 1 19 THR MG 1 29 THR HA 3.990 . 3.990 3.861 3.409 4.041 0.051 4 0 "[ . 1 . ]" 1
256 1 41 THR HA 1 41 THR MG 3.040 . 3.040 3.072 2.208 3.199 0.159 7 0 "[ . 1 . ]" 1
257 1 27 THR HA 1 27 THR MG 3.430 . 3.430 2.239 2.185 2.316 . 0 0 "[ . 1 . ]" 1
258 1 27 THR MG 1 28 PRO HD2 3.620 . 3.620 2.769 2.439 3.014 . 0 0 "[ . 1 . ]" 1
259 1 19 THR MG 1 28 PRO HA 3.770 . 3.770 3.618 3.078 3.876 0.106 19 0 "[ . 1 . ]" 1
260 1 39 VAL HA 1 39 VAL MG1 3.250 . 3.250 2.365 2.336 2.385 . 0 0 "[ . 1 . ]" 1
261 1 27 THR MG 1 28 PRO HD3 3.620 . 3.620 3.596 3.339 3.726 0.106 12 0 "[ . 1 . ]" 1
262 1 27 THR MG 1 42 ARG QD 4.040 . 4.040 2.173 1.857 3.717 . 0 0 "[ . 1 . ]" 1
263 1 22 CYS QB 1 27 THR MG 4.280 . 4.280 3.965 3.831 4.164 . 0 0 "[ . 1 . ]" 1
264 1 39 VAL MG1 1 48 GLU HG2 4.220 . 4.220 2.469 2.051 3.686 . 0 0 "[ . 1 . ]" 1
265 1 17 VAL QG 1 20 LYS HE3 3.940 . 3.940 3.318 2.249 4.052 0.112 9 0 "[ . 1 . ]" 1
266 1 39 VAL MG1 1 48 GLU HG3 4.220 . 4.220 3.040 2.340 3.590 . 0 0 "[ . 1 . ]" 1
267 1 39 VAL HB 1 41 THR MG 4.710 . 4.710 4.824 4.484 4.906 0.196 5 0 "[ . 1 . ]" 1
268 1 27 THR MG 1 42 ARG HB2 3.650 . 3.650 3.031 2.475 3.690 0.040 16 0 "[ . 1 . ]" 1
269 1 27 THR MG 1 42 ARG QG 3.550 . 3.550 2.888 1.844 3.462 . 0 0 "[ . 1 . ]" 1
270 1 19 THR MG 1 28 PRO HB2 3.460 . 3.460 2.206 2.016 2.508 . 0 0 "[ . 1 . ]" 1
271 1 16 LYS HG3 1 17 VAL QG 4.540 . 4.540 3.328 1.868 4.585 0.045 15 0 "[ . 1 . ]" 1
272 1 29 THR MG 1 39 VAL MG1 4.690 . 4.690 4.439 4.124 4.721 0.031 14 0 "[ . 1 . ]" 1
273 1 5 ALA MB 1 6 ARG H 5.300 . 5.300 2.091 1.830 3.363 . 0 0 "[ . 1 . ]" 1
274 1 39 VAL HA 1 39 VAL MG2 3.350 . 3.350 2.444 2.413 2.483 . 0 0 "[ . 1 . ]" 1
275 1 61 CYS HA 1 64 ALA MB 3.940 . 3.940 3.060 1.951 4.132 0.192 19 0 "[ . 1 . ]" 1
276 1 38 MET HG3 1 39 VAL MG2 5.500 . 5.500 5.429 5.122 5.583 0.083 13 0 "[ . 1 . ]" 1
277 1 29 THR MG 1 39 VAL MG2 4.750 . 4.750 4.788 4.219 5.029 0.279 11 0 "[ . 1 . ]" 1
278 1 36 MET ME 1 51 TRP HD1 4.270 . 4.270 4.438 4.268 4.559 0.289 5 0 "[ . 1 . ]" 1
279 1 36 MET HA 1 36 MET ME 4.840 . 4.840 4.250 3.049 4.583 . 0 0 "[ . 1 . ]" 1
280 1 14 THR HA 1 15 ILE MG 4.880 . 4.880 4.491 3.680 4.959 0.079 17 0 "[ . 1 . ]" 1
281 1 15 ILE HA 1 15 ILE MG 3.370 . 3.370 2.981 2.289 3.225 . 0 0 "[ . 1 . ]" 1
282 1 36 MET ME 1 51 TRP HB2 5.160 . 5.160 4.831 3.870 5.293 0.133 5 0 "[ . 1 . ]" 1
283 1 38 MET ME 1 51 TRP HZ2 4.460 . 4.460 4.308 3.643 4.664 0.204 8 0 "[ . 1 . ]" 1
284 1 38 MET ME 1 51 TRP HE3 3.570 . 3.570 2.814 2.242 3.060 . 0 0 "[ . 1 . ]" 1
285 1 38 MET ME 1 51 TRP HZ3 3.720 . 3.720 2.688 1.875 3.665 . 0 0 "[ . 1 . ]" 1
286 1 29 THR HB 1 38 MET ME 4.690 . 4.690 4.153 3.241 4.790 0.100 6 0 "[ . 1 . ]" 1
287 1 38 MET ME 1 51 TRP HB2 4.540 . 4.540 4.209 3.454 4.724 0.184 13 0 "[ . 1 . ]" 1
288 1 19 THR HB 1 28 PRO HB3 4.080 . 4.080 3.073 2.538 3.868 . 0 0 "[ . 1 . ]" 1
289 1 38 MET ME 1 38 MET HG3 3.680 . 3.680 2.515 2.335 3.376 . 0 0 "[ . 1 . ]" 1
290 1 20 LYS HB3 1 38 MET ME 4.420 . 4.420 3.515 2.849 4.029 . 0 0 "[ . 1 . ]" 1
291 1 31 ARG HB2 1 38 MET ME 3.860 . 3.860 3.075 2.085 3.897 0.037 5 0 "[ . 1 . ]" 1
292 1 38 MET HB2 1 38 MET ME 3.790 . 3.790 3.187 2.016 3.991 0.201 13 0 "[ . 1 . ]" 1
293 1 38 MET ME 1 38 MET HG2 3.500 . 3.500 2.811 2.351 3.410 . 0 0 "[ . 1 . ]" 1
294 1 23 PRO HD3 1 49 TRP HD1 4.850 . 4.850 4.337 3.896 4.879 0.029 2 0 "[ . 1 . ]" 1
295 1 23 PRO HD3 1 47 PHE QD 4.930 . 4.930 4.154 3.942 4.560 . 0 0 "[ . 1 . ]" 1
296 1 45 CYS HB2 1 46 GLY H 3.620 . 3.620 3.281 2.226 3.473 . 0 0 "[ . 1 . ]" 1
297 1 56 GLU HG2 1 57 TRP H 4.770 . 4.770 4.659 3.664 5.010 0.240 17 0 "[ . 1 . ]" 1
298 1 49 TRP HB3 1 56 GLU HA 4.270 . 4.270 2.632 2.146 3.117 . 0 0 "[ . 1 . ]" 1
299 1 52 VAL HB 1 65 HIS HD1 4.680 . 4.680 3.342 2.409 4.331 . 0 0 "[ . 1 . ]" 1
300 1 67 PHE HB3 1 68 GLY H 5.420 . 5.420 3.835 2.483 4.625 . 0 0 "[ . 1 . ]" 1
301 1 49 TRP HA 1 49 TRP HD1 4.680 . 4.680 4.054 3.917 4.207 . 0 0 "[ . 1 . ]" 1
302 1 37 HIS HA 1 51 TRP HE3 5.040 . 5.040 4.837 4.069 5.188 0.148 13 0 "[ . 1 . ]" 1
303 1 62 MET QG 1 63 GLY H 4.870 . 4.870 3.361 2.717 4.263 . 0 0 "[ . 1 . ]" 1
304 1 59 ARG HA 1 62 MET ME 4.720 . 4.720 3.153 1.843 4.765 0.045 18 0 "[ . 1 . ]" 1
305 1 56 GLU HB2 1 57 TRP H 4.790 . 4.790 2.605 2.041 3.212 . 0 0 "[ . 1 . ]" 1
306 1 36 MET ME 1 65 HIS HE1 5.500 . 5.500 4.766 3.231 5.602 0.102 8 0 "[ . 1 . ]" 1
307 1 36 MET ME 1 68 GLY H 5.500 . 5.500 3.708 2.336 4.641 . 0 0 "[ . 1 . ]" 1
308 1 52 VAL MG2 1 65 HIS HE1 4.130 . 4.130 2.867 2.511 3.418 . 0 0 "[ . 1 . ]" 1
309 1 67 PHE HA 1 67 PHE QD 4.220 . 4.220 2.744 2.323 3.759 . 0 0 "[ . 1 . ]" 1
310 1 47 PHE HA 1 47 PHE QD 3.360 . 3.360 2.557 2.237 2.720 . 0 0 "[ . 1 . ]" 1
311 1 35 CYS HA 1 67 PHE QD 4.720 . 4.720 3.960 2.127 4.848 0.128 13 0 "[ . 1 . ]" 1
312 1 47 PHE QE 1 49 TRP HB3 3.900 . 3.900 2.445 2.079 3.084 . 0 0 "[ . 1 . ]" 1
313 1 47 PHE QE 1 56 GLU HB2 4.400 . 4.400 3.309 2.621 4.480 0.080 1 0 "[ . 1 . ]" 1
314 1 24 LYS HB2 1 47 PHE QD 4.960 . 4.960 4.532 4.064 4.994 0.034 9 0 "[ . 1 . ]" 1
315 1 23 PRO HG2 1 47 PHE QD 4.160 . 4.160 2.949 2.411 3.590 . 0 0 "[ . 1 . ]" 1
316 1 23 PRO HG2 1 47 PHE QE 4.000 . 4.000 2.523 2.064 2.836 . 0 0 "[ . 1 . ]" 1
317 1 48 GLU HA 1 49 TRP HD1 3.890 . 3.890 2.944 2.705 3.262 . 0 0 "[ . 1 . ]" 1
318 1 39 VAL HA 1 49 TRP HD1 5.500 . 5.500 3.977 3.235 4.497 . 0 0 "[ . 1 . ]" 1
319 1 49 TRP HD1 1 56 GLU HA 5.500 . 5.500 5.097 4.423 5.519 0.019 19 0 "[ . 1 . ]" 1
320 1 47 PHE HZ 1 56 GLU HA 4.140 . 4.140 2.736 1.822 3.624 . 0 0 "[ . 1 . ]" 1
321 1 47 PHE HB2 1 49 TRP HD1 5.500 . 5.500 5.065 4.670 5.407 . 0 0 "[ . 1 . ]" 1
322 1 49 TRP HB3 1 49 TRP HD1 3.560 . 3.560 2.895 2.778 3.013 . 0 0 "[ . 1 . ]" 1
323 1 47 PHE HZ 1 56 GLU HB2 4.000 . 4.000 2.583 1.982 3.736 . 0 0 "[ . 1 . ]" 1
324 1 47 PHE HZ 1 56 GLU HB3 4.000 . 4.000 2.053 1.823 2.731 . 0 0 "[ . 1 . ]" 1
325 1 7 TRP HA 1 7 TRP HD1 4.230 . 4.230 3.728 2.777 4.464 0.234 15 0 "[ . 1 . ]" 1
326 1 61 CYS HA 1 65 HIS HD2 4.060 . 4.060 3.857 2.848 4.322 0.262 17 0 "[ . 1 . ]" 1
327 1 51 TRP HD1 1 52 VAL HA 4.000 . 4.000 2.922 2.454 3.429 . 0 0 "[ . 1 . ]" 1
328 1 51 TRP HB3 1 51 TRP HD1 3.440 . 3.440 2.761 2.660 2.911 . 0 0 "[ . 1 . ]" 1
329 1 66 TRP HB2 1 66 TRP HD1 3.890 . 3.890 2.673 2.506 2.934 . 0 0 "[ . 1 . ]" 1
330 1 66 TRP HB3 1 66 TRP HD1 3.890 . 3.890 3.476 2.831 3.893 0.003 9 0 "[ . 1 . ]" 1
331 1 51 TRP HD1 1 52 VAL MG1 4.460 . 4.460 4.293 3.635 4.562 0.102 18 0 "[ . 1 . ]" 1
332 1 51 TRP HD1 1 52 VAL MG2 4.460 . 4.460 2.823 2.011 3.390 . 0 0 "[ . 1 . ]" 1
333 1 29 THR HB 1 49 TRP HH2 3.970 . 3.970 3.928 3.518 4.067 0.097 8 0 "[ . 1 . ]" 1
334 1 50 CYS HA 1 66 TRP HZ3 4.010 . 4.010 3.085 2.125 4.103 0.093 13 0 "[ . 1 . ]" 1
335 1 51 TRP HB2 1 51 TRP HE3 4.040 . 4.040 2.407 2.282 2.513 . 0 0 "[ . 1 . ]" 1
336 1 38 MET HG3 1 51 TRP HE3 4.190 . 4.190 2.648 1.981 3.685 . 0 0 "[ . 1 . ]" 1
337 1 49 TRP HE3 1 51 TRP HA 4.270 . 4.270 4.195 3.250 4.390 0.120 14 0 "[ . 1 . ]" 1
338 1 49 TRP HE3 1 54 GLN HA 3.840 . 3.840 2.512 1.872 3.207 . 0 0 "[ . 1 . ]" 1
339 1 49 TRP HB3 1 49 TRP HE3 4.090 . 4.090 3.917 3.783 4.021 . 0 0 "[ . 1 . ]" 1
340 1 50 CYS HA 1 66 TRP HE3 3.320 . 3.320 3.320 2.893 3.550 0.230 16 0 "[ . 1 . ]" 1
341 1 66 TRP HA 1 66 TRP HE3 3.660 . 3.660 2.889 1.930 4.014 0.354 9 0 "[ . 1 . ]" 1
342 1 50 CYS HB2 1 66 TRP HE3 3.880 . 3.880 3.857 3.242 4.121 0.241 11 0 "[ . 1 . ]" 1
343 1 50 CYS HB3 1 66 TRP HE3 3.880 . 3.880 2.843 1.932 3.640 . 0 0 "[ . 1 . ]" 1
344 1 29 THR HB 1 49 TRP HZ2 3.460 . 3.460 2.532 2.262 2.941 . 0 0 "[ . 1 . ]" 1
345 1 37 HIS HD2 1 38 MET HA 5.500 . 5.500 4.100 3.496 5.580 0.080 6 0 "[ . 1 . ]" 1
346 1 37 HIS HD2 1 39 VAL HA 5.500 . 5.500 4.270 3.629 5.061 . 0 0 "[ . 1 . ]" 1
347 1 22 CYS HA 1 49 TRP HZ2 3.890 . 3.890 2.971 2.570 3.276 . 0 0 "[ . 1 . ]" 1
348 1 62 MET HA 1 66 TRP HZ2 3.870 . 3.870 2.558 1.823 3.686 . 0 0 "[ . 1 . ]" 1
349 1 37 HIS HA 1 37 HIS HD2 3.750 . 3.750 3.589 2.348 3.965 0.215 12 0 "[ . 1 . ]" 1
350 1 22 CYS QB 1 49 TRP HZ2 4.110 . 4.110 4.047 3.755 4.237 0.127 4 0 "[ . 1 . ]" 1
351 1 62 MET HB2 1 66 TRP HZ2 4.070 . 4.070 2.823 2.200 4.109 0.039 9 0 "[ . 1 . ]" 1
352 1 29 THR MG 1 49 TRP HZ2 3.090 . 3.090 2.689 2.155 3.135 0.045 9 0 "[ . 1 . ]" 1
353 1 62 MET HB3 1 66 TRP HZ2 4.070 . 4.070 3.724 2.427 4.212 0.142 16 0 "[ . 1 . ]" 1
354 1 37 HIS HD2 1 39 VAL MG2 3.700 . 3.700 2.489 1.951 3.809 0.109 11 0 "[ . 1 . ]" 1
355 1 38 MET HG2 1 51 TRP HZ3 4.240 . 4.240 4.282 3.949 4.507 0.267 8 0 "[ . 1 . ]" 1
356 1 47 PHE QE 1 56 GLU HB3 4.400 . 4.400 2.761 2.061 3.659 . 0 0 "[ . 1 . ]" 1
357 1 62 MET QG 1 66 TRP HZ2 4.360 . 4.360 2.810 1.805 4.470 0.110 17 0 "[ . 1 . ]" 1
358 1 59 ARG HA 1 66 TRP HZ2 4.370 . 4.370 4.205 2.921 4.602 0.232 14 0 "[ . 1 . ]" 1
359 1 52 VAL MG1 1 65 HIS HE1 4.130 . 4.130 3.127 2.301 4.080 . 0 0 "[ . 1 . ]" 1
360 1 19 THR HB 1 28 PRO HB2 4.400 . 4.400 2.749 2.171 3.563 . 0 0 "[ . 1 . ]" 1
361 1 16 LYS HA 1 17 VAL HA 4.610 . 4.610 4.457 4.303 4.782 0.172 16 0 "[ . 1 . ]" 1
362 1 27 THR HA 1 28 PRO HD2 3.140 . 3.140 2.443 2.275 2.585 . 0 0 "[ . 1 . ]" 1
363 1 28 PRO HA 1 29 THR HA 4.820 . 4.820 4.463 4.430 4.512 . 0 0 "[ . 1 . ]" 1
364 1 17 VAL HA 1 17 VAL QG 3.270 . 3.270 2.265 2.160 2.364 . 0 0 "[ . 1 . ]" 1
365 1 51 TRP HA 1 51 TRP HE3 4.540 . 4.540 3.495 3.251 3.841 . 0 0 "[ . 1 . ]" 1
366 1 49 TRP HZ3 1 51 TRP HA 4.430 . 4.430 4.080 2.411 4.458 0.028 4 0 "[ . 1 . ]" 1
367 1 19 THR HA 1 30 GLU HA 3.950 . 3.950 2.921 2.336 3.643 . 0 0 "[ . 1 . ]" 1
368 1 14 THR HA 1 15 ILE HA 4.570 . 4.570 4.499 4.308 4.761 0.191 16 0 "[ . 1 . ]" 1
369 1 59 ARG HA 1 62 MET HA 4.980 . 4.980 4.521 4.007 5.057 0.077 18 0 "[ . 1 . ]" 1
370 1 7 TRP HA 1 7 TRP HE3 4.580 . 4.580 4.262 2.571 4.718 0.138 16 0 "[ . 1 . ]" 1
371 1 41 THR HA 1 42 ARG HA 4.740 . 4.740 4.703 4.591 4.795 0.055 8 0 "[ . 1 . ]" 1
372 1 22 CYS HA 1 29 THR HB 5.210 . 5.210 4.598 4.154 5.069 . 0 0 "[ . 1 . ]" 1
373 1 9 GLU HA 1 10 ALA HA 4.460 . 4.460 4.413 4.310 4.665 0.205 7 0 "[ . 1 . ]" 1
374 1 22 CYS QB 1 26 ARG HA 4.640 . 4.640 2.995 2.695 3.290 . 0 0 "[ . 1 . ]" 1
375 1 56 GLU HA 1 56 GLU HG2 4.160 . 4.160 3.663 2.751 3.846 . 0 0 "[ . 1 . ]" 1
376 1 48 GLU HA 1 49 TRP HA 4.750 . 4.750 4.399 4.343 4.458 . 0 0 "[ . 1 . ]" 1
377 1 48 GLU HA 1 48 GLU HG2 4.020 . 4.020 2.649 2.524 3.707 . 0 0 "[ . 1 . ]" 1
378 1 38 MET HA 1 38 MET ME 4.430 . 4.430 4.232 3.992 4.331 . 0 0 "[ . 1 . ]" 1
379 1 26 ARG HA 1 26 ARG HD2 4.460 . 4.460 4.175 2.677 4.649 0.189 16 0 "[ . 1 . ]" 1
380 1 42 ARG QD 1 45 CYS HB2 3.950 . 3.950 2.193 1.926 2.944 . 0 0 "[ . 1 . ]" 1
381 1 39 VAL HB 1 41 THR HA 5.500 . 5.500 4.959 4.539 5.432 . 0 0 "[ . 1 . ]" 1
382 1 47 PHE QE 1 49 TRP HB2 5.220 . 5.220 3.938 3.300 4.611 . 0 0 "[ . 1 . ]" 1
383 1 23 PRO HB3 1 47 PHE QE 4.680 . 4.680 4.514 4.096 4.751 0.071 18 0 "[ . 1 . ]" 1
384 1 49 TRP HB2 1 54 GLN HA 5.500 . 5.500 4.137 2.968 5.120 . 0 0 "[ . 1 . ]" 1
385 1 38 MET HG2 1 51 TRP HE3 4.670 . 4.670 4.245 3.718 4.743 0.073 18 0 "[ . 1 . ]" 1
386 1 9 GLU HB2 1 9 GLU QG 2.680 . 2.680 2.302 2.164 2.361 . 0 0 "[ . 1 . ]" 1
387 1 42 ARG HB3 1 45 CYS HB2 4.200 . 4.200 2.408 2.061 2.679 . 0 0 "[ . 1 . ]" 1
388 1 42 ARG HB3 1 45 CYS HB3 4.200 . 4.200 2.381 2.001 3.495 . 0 0 "[ . 1 . ]" 1
389 1 59 ARG QG 1 62 MET ME 4.320 . 4.320 3.218 1.994 4.455 0.135 5 0 "[ . 1 . ]" 1
390 1 14 THR HA 1 14 THR MG 3.470 . 3.470 3.036 2.338 3.228 . 0 0 "[ . 1 . ]" 1
391 1 27 THR MG 1 42 ARG HB3 4.450 . 4.450 4.050 3.647 4.465 0.015 18 0 "[ . 1 . ]" 1
392 1 19 THR MG 1 29 THR MG 4.510 . 4.510 4.533 4.266 4.665 0.155 14 0 "[ . 1 . ]" 1
393 1 16 LYS HG2 1 17 VAL QG 4.540 . 4.540 3.763 2.136 4.578 0.038 9 0 "[ . 1 . ]" 1
394 1 39 VAL MG1 1 41 THR MG 4.430 . 4.430 4.476 4.172 4.580 0.150 11 0 "[ . 1 . ]" 1
395 1 39 VAL MG2 1 48 GLU HA 4.200 . 4.200 3.401 2.694 4.057 . 0 0 "[ . 1 . ]" 1
396 1 36 MET ME 1 52 VAL HB 5.040 . 5.040 4.521 3.646 5.222 0.182 18 0 "[ . 1 . ]" 1
397 1 14 THR MG 1 15 ILE MG 3.870 . 3.870 3.180 1.889 4.173 0.303 16 0 "[ . 1 . ]" 1
398 1 38 MET ME 1 49 TRP HZ2 5.220 . 5.220 4.179 2.896 4.773 . 0 0 "[ . 1 . ]" 1
399 1 31 ARG HB3 1 38 MET ME 3.860 . 3.860 2.606 1.764 4.070 0.210 18 0 "[ . 1 . ]" 1
400 1 38 MET HB3 1 38 MET ME 3.790 . 3.790 3.432 2.128 4.002 0.212 4 0 "[ . 1 . ]" 1
401 1 36 MET HA 1 51 TRP HB2 4.170 . 4.170 2.906 1.981 3.883 . 0 0 "[ . 1 . ]" 1
402 1 23 PRO HD2 1 47 PHE HB3 4.530 . 4.530 4.241 3.951 4.580 0.050 2 0 "[ . 1 . ]" 1
403 1 4 GLU QB 1 4 GLU QG 2.430 . 2.430 2.045 1.989 2.088 . 0 0 "[ . 1 . ]" 1
404 1 5 ALA MB 1 6 ARG QB 3.590 . 3.590 3.629 3.410 3.798 0.208 19 0 "[ . 1 . ]" 1
405 1 7 TRP QB 1 8 ASP H 4.130 . 4.130 3.301 2.143 3.965 . 0 0 "[ . 1 . ]" 1
406 1 9 GLU H 1 9 GLU QB 3.590 . 3.590 2.602 2.301 3.248 . 0 0 "[ . 1 . ]" 1
407 1 9 GLU QB 1 9 GLU QG 2.290 . 2.290 2.025 1.981 2.088 . 0 0 "[ . 1 . ]" 1
408 1 15 ILE H 1 15 ILE QG 4.230 . 4.230 3.619 2.033 4.132 . 0 0 "[ . 1 . ]" 1
409 1 15 ILE QG 1 15 ILE MG 3.110 . 3.110 2.347 2.116 2.417 . 0 0 "[ . 1 . ]" 1
410 1 16 LYS QB 1 16 LYS QD 2.630 . 2.630 2.365 2.096 2.714 0.084 8 0 "[ . 1 . ]" 1
411 1 16 LYS QB 1 16 LYS QE 4.080 . 4.080 2.188 1.808 3.660 . 0 0 "[ . 1 . ]" 1
412 1 16 LYS QB 1 17 VAL QG 4.830 . 4.830 3.862 2.657 4.558 . 0 0 "[ . 1 . ]" 1
413 1 16 LYS QB 1 20 LYS QD 4.610 . 4.610 4.579 3.953 4.875 0.265 13 0 "[ . 1 . ]" 1
414 1 16 LYS QB 1 20 LYS QE 4.650 . 4.650 4.213 3.122 4.833 0.183 14 0 "[ . 1 . ]" 1
415 1 16 LYS QD 1 16 LYS QG 2.340 . 2.340 2.017 1.975 2.088 . 0 0 "[ . 1 . ]" 1
416 1 16 LYS QG 1 20 LYS QG 4.070 . 4.070 3.917 3.218 4.468 0.398 18 0 "[ . 1 . ]" 1
417 1 16 LYS QG 1 20 LYS QD 4.000 . 4.000 3.069 2.220 4.069 0.069 10 0 "[ . 1 . ]" 1
418 1 16 LYS QG 1 31 ARG QD 3.830 . 3.830 3.278 2.452 4.002 0.172 12 0 "[ . 1 . ]" 1
419 1 16 LYS QD 1 20 LYS QD 4.510 . 4.510 3.716 2.226 4.699 0.189 9 0 "[ . 1 . ]" 1
420 1 16 LYS QD 1 31 ARG QD 4.490 . 4.490 3.449 2.466 4.783 0.293 3 0 "[ . 1 . ]" 1
421 1 17 VAL HB 1 20 LYS QE 5.220 . 5.220 4.624 2.181 5.527 0.307 17 0 "[ . 1 . ]" 1
422 1 17 VAL QG 1 20 LYS QD 3.850 . 3.850 2.910 1.809 4.021 0.171 17 0 "[ . 1 . ]" 1
423 1 17 VAL QG 1 20 LYS QE 3.440 . 3.440 2.665 2.190 3.215 . 0 0 "[ . 1 . ]" 1
424 1 19 THR MG 1 28 PRO QG 4.050 . 4.050 3.761 3.504 4.009 . 0 0 "[ . 1 . ]" 1
425 1 19 THR MG 1 30 GLU QB 4.250 . 4.250 3.444 2.305 3.971 . 0 0 "[ . 1 . ]" 1
426 1 19 THR MG 1 30 GLU QG 3.060 . 3.060 2.650 2.007 3.305 0.245 19 0 "[ . 1 . ]" 1
427 1 19 THR MG 1 31 ARG QG 5.240 . 5.240 4.302 3.724 5.545 0.305 18 0 "[ . 1 . ]" 1
428 1 20 LYS H 1 20 LYS QB 3.650 . 3.650 2.550 2.430 2.645 . 0 0 "[ . 1 . ]" 1
429 1 20 LYS H 1 20 LYS QG 3.900 . 3.900 2.611 2.372 3.058 . 0 0 "[ . 1 . ]" 1
430 1 20 LYS H 1 31 ARG QG 4.940 . 4.940 4.371 3.087 5.088 0.148 7 0 "[ . 1 . ]" 1
431 1 20 LYS HA 1 20 LYS QG 3.670 . 3.670 2.917 2.495 3.184 . 0 0 "[ . 1 . ]" 1
432 1 20 LYS QB 1 21 PRO QG 5.150 . 5.150 4.073 3.781 5.025 . 0 0 "[ . 1 . ]" 1
433 1 20 LYS QB 1 21 PRO HD2 3.630 . 3.630 2.576 2.296 3.624 . 0 0 "[ . 1 . ]" 1
434 1 20 LYS QB 1 21 PRO HD3 4.820 . 4.820 3.701 3.521 3.981 . 0 0 "[ . 1 . ]" 1
435 1 20 LYS QB 1 29 THR HB 4.670 . 4.670 3.054 2.681 3.440 . 0 0 "[ . 1 . ]" 1
436 1 20 LYS QB 1 38 MET ME 3.690 . 3.690 2.605 2.110 3.084 . 0 0 "[ . 1 . ]" 1
437 1 20 LYS QB 1 49 TRP HH2 3.350 . 3.350 2.066 1.808 2.536 . 0 0 "[ . 1 . ]" 1
438 1 20 LYS QE 1 20 LYS QG 3.230 . 3.230 2.377 2.148 2.878 . 0 0 "[ . 1 . ]" 1
439 1 20 LYS QG 1 31 ARG QB 4.540 . 4.540 2.890 1.929 4.615 0.075 19 0 "[ . 1 . ]" 1
440 1 20 LYS QG 1 38 MET HG2 5.340 . 5.340 5.115 4.641 5.431 0.091 3 0 "[ . 1 . ]" 1
441 1 20 LYS QG 1 38 MET ME 4.010 . 4.010 2.031 1.759 2.570 . 0 0 "[ . 1 . ]" 1
442 1 20 LYS QG 1 49 TRP HH2 4.280 . 4.280 3.553 2.889 3.951 . 0 0 "[ . 1 . ]" 1
443 1 20 LYS QD 1 38 MET ME 4.880 . 4.880 3.499 1.893 4.408 . 0 0 "[ . 1 . ]" 1
444 1 20 LYS QE 1 31 ARG QD 4.530 . 4.530 4.568 3.901 4.798 0.268 3 0 "[ . 1 . ]" 1
445 1 21 PRO HB2 1 26 ARG QB 4.200 . 4.200 3.364 2.915 4.232 0.032 14 0 "[ . 1 . ]" 1
446 1 21 PRO HB2 1 26 ARG QG 2.430 . 2.430 2.452 2.152 2.584 0.154 5 0 "[ . 1 . ]" 1
447 1 21 PRO QG 1 26 ARG QG 4.050 . 4.050 3.820 3.614 4.058 0.008 6 0 "[ . 1 . ]" 1
448 1 22 CYS QB 1 40 CYS QB 4.380 . 4.380 3.017 2.585 3.371 . 0 0 "[ . 1 . ]" 1
449 1 23 PRO HA 1 24 LYS QD 4.680 . 4.680 4.246 3.982 4.791 0.111 9 0 "[ . 1 . ]" 1
450 1 23 PRO HB2 1 24 LYS QG 4.500 . 4.500 4.129 3.115 4.628 0.128 7 0 "[ . 1 . ]" 1
451 1 23 PRO HB2 1 24 LYS QD 3.210 . 3.210 2.640 2.274 3.163 . 0 0 "[ . 1 . ]" 1
452 1 23 PRO HG2 1 24 LYS QG 4.630 . 4.630 3.591 2.068 4.460 . 0 0 "[ . 1 . ]" 1
453 1 23 PRO HD2 1 24 LYS QD 4.010 . 4.010 3.889 3.347 4.258 0.248 19 0 "[ . 1 . ]" 1
454 1 24 LYS H 1 24 LYS QG 4.670 . 4.670 3.409 2.412 3.952 . 0 0 "[ . 1 . ]" 1
455 1 24 LYS H 1 24 LYS QD 4.890 . 4.890 2.911 2.383 3.450 . 0 0 "[ . 1 . ]" 1
456 1 24 LYS HA 1 24 LYS QG 3.430 . 3.430 2.602 2.272 3.195 . 0 0 "[ . 1 . ]" 1
457 1 24 LYS HB2 1 24 LYS QD 3.550 . 3.550 2.712 2.327 3.450 . 0 0 "[ . 1 . ]" 1
458 1 24 LYS QE 1 24 LYS QG 3.270 . 3.270 2.403 2.280 2.813 . 0 0 "[ . 1 . ]" 1
459 1 24 LYS QD 1 47 PHE HB2 5.340 . 5.340 4.519 3.611 5.371 0.031 18 0 "[ . 1 . ]" 1
460 1 25 CYS H 1 25 CYS QB 3.550 . 3.550 2.727 2.587 2.881 . 0 0 "[ . 1 . ]" 1
461 1 25 CYS QB 1 45 CYS QB 4.500 . 4.500 3.874 3.337 4.543 0.043 12 0 "[ . 1 . ]" 1
462 1 26 ARG H 1 26 ARG QB 3.630 . 3.630 3.194 2.909 3.280 . 0 0 "[ . 1 . ]" 1
463 1 26 ARG HA 1 26 ARG QG 3.470 . 3.470 2.281 2.176 2.545 . 0 0 "[ . 1 . ]" 1
464 1 26 ARG HA 1 26 ARG QD 3.860 . 3.860 3.716 2.634 4.038 0.178 7 0 "[ . 1 . ]" 1
465 1 26 ARG QB 1 27 THR MG 5.340 . 5.340 4.359 4.164 4.587 . 0 0 "[ . 1 . ]" 1
466 1 27 THR H 1 28 PRO QD 4.710 . 4.710 4.386 4.338 4.425 . 0 0 "[ . 1 . ]" 1
467 1 27 THR HA 1 28 PRO QG 4.610 . 4.610 4.063 3.946 4.145 . 0 0 "[ . 1 . ]" 1
468 1 27 THR HB 1 28 PRO QG 3.930 . 3.930 3.536 3.268 3.735 . 0 0 "[ . 1 . ]" 1
469 1 27 THR HB 1 28 PRO QD 3.590 . 3.590 2.026 1.805 2.296 . 0 0 "[ . 1 . ]" 1
470 1 29 THR MG 1 30 GLU QB 4.220 . 4.220 3.990 3.748 4.436 0.216 19 0 "[ . 1 . ]" 1
471 1 30 GLU H 1 30 GLU QB 3.090 . 3.090 2.399 2.116 2.725 . 0 0 "[ . 1 . ]" 1
472 1 30 GLU H 1 30 GLU QG 3.860 . 3.860 2.494 1.797 3.952 0.092 9 0 "[ . 1 . ]" 1
473 1 30 GLU HA 1 30 GLU QG 3.610 . 3.610 2.528 2.336 3.289 . 0 0 "[ . 1 . ]" 1
474 1 30 GLU QB 1 31 ARG H 4.150 . 4.150 3.187 2.579 3.701 . 0 0 "[ . 1 . ]" 1
475 1 30 GLU QG 1 31 ARG H 4.230 . 4.230 4.017 2.300 4.515 0.285 6 0 "[ . 1 . ]" 1
476 1 31 ARG H 1 31 ARG QB 3.420 . 3.420 2.759 2.158 3.080 . 0 0 "[ . 1 . ]" 1
477 1 31 ARG H 1 31 ARG QG 4.150 . 4.150 2.220 1.847 3.879 . 0 0 "[ . 1 . ]" 1
478 1 31 ARG H 1 31 ARG QD 4.860 . 4.860 3.785 2.051 4.603 . 0 0 "[ . 1 . ]" 1
479 1 31 ARG QB 1 38 MET HG3 4.050 . 4.050 3.959 3.293 4.407 0.357 19 0 "[ . 1 . ]" 1
480 1 31 ARG QB 1 38 MET ME 3.230 . 3.230 2.403 1.752 3.238 0.008 8 0 "[ . 1 . ]" 1
481 1 31 ARG QG 1 32 ASP H 5.020 . 5.020 4.140 2.909 4.898 . 0 0 "[ . 1 . ]" 1
482 1 31 ARG QG 1 38 MET ME 4.690 . 4.690 3.709 1.979 4.841 0.151 11 0 "[ . 1 . ]" 1
483 1 31 ARG QD 1 32 ASP H 5.340 . 5.340 4.935 3.173 5.704 0.364 15 0 "[ . 1 . ]" 1
484 1 32 ASP H 1 32 ASP QB 3.630 . 3.630 2.637 2.264 3.298 . 0 0 "[ . 1 . ]" 1
485 1 35 CYS QB 1 37 HIS H 3.010 . 3.010 2.804 2.393 3.168 0.158 2 0 "[ . 1 . ]" 1
486 1 35 CYS QB 1 67 PHE QB 3.890 . 3.890 3.855 3.001 4.162 0.272 6 0 "[ . 1 . ]" 1
487 1 36 MET HA 1 36 MET QG 3.650 . 3.650 2.404 2.120 2.835 . 0 0 "[ . 1 . ]" 1
488 1 36 MET QB 1 36 MET ME 3.930 . 3.930 2.199 2.017 2.376 . 0 0 "[ . 1 . ]" 1
489 1 36 MET QB 1 37 HIS QB 5.180 . 5.180 4.417 4.195 4.659 . 0 0 "[ . 1 . ]" 1
490 1 36 MET QB 1 52 VAL QG 5.280 . 5.280 4.086 2.550 4.767 . 0 0 "[ . 1 . ]" 1
491 1 36 MET QB 1 68 GLY H 4.660 . 4.660 3.489 2.455 4.678 0.018 3 0 "[ . 1 . ]" 1
492 1 36 MET ME 1 36 MET QG 3.580 . 3.580 2.336 2.206 2.429 . 0 0 "[ . 1 . ]" 1
493 1 36 MET QG 1 51 TRP H 3.930 . 3.930 3.101 1.977 4.129 0.199 15 0 "[ . 1 . ]" 1
494 1 36 MET QG 1 52 VAL H 3.790 . 3.790 3.167 2.739 3.697 . 0 0 "[ . 1 . ]" 1
495 1 36 MET QG 1 52 VAL QG 4.640 . 4.640 2.773 2.121 3.568 . 0 0 "[ . 1 . ]" 1
496 1 36 MET ME 1 52 VAL QG 3.490 . 3.490 2.398 1.993 2.832 . 0 0 "[ . 1 . ]" 1
497 1 36 MET ME 1 65 HIS QB 3.870 . 3.870 3.702 2.748 4.176 0.306 7 0 "[ . 1 . ]" 1
498 1 36 MET ME 1 68 GLY QA 3.710 . 3.710 3.272 2.058 3.890 0.180 7 0 "[ . 1 . ]" 1
499 1 37 HIS QB 1 37 HIS HD2 3.490 . 3.490 2.916 2.778 3.322 . 0 0 "[ . 1 . ]" 1
500 1 37 HIS QB 1 38 MET H 4.450 . 4.450 3.807 3.601 3.975 . 0 0 "[ . 1 . ]" 1
501 1 37 HIS HD2 1 48 GLU QB 3.560 . 3.560 3.495 2.673 3.687 0.127 5 0 "[ . 1 . ]" 1
502 1 38 MET H 1 38 MET QB 3.500 . 3.500 2.352 2.161 2.505 . 0 0 "[ . 1 . ]" 1
503 1 38 MET QB 1 39 VAL H 4.240 . 4.240 3.234 2.814 3.717 . 0 0 "[ . 1 . ]" 1
504 1 38 MET QB 1 39 VAL MG2 4.690 . 4.690 4.485 4.326 4.692 0.002 18 0 "[ . 1 . ]" 1
505 1 38 MET QB 1 49 TRP H 4.140 . 4.140 3.742 3.371 4.192 0.052 18 0 "[ . 1 . ]" 1
506 1 39 VAL HA 1 48 GLU QG 4.310 . 4.310 3.045 2.530 3.612 . 0 0 "[ . 1 . ]" 1
507 1 39 VAL MG1 1 48 GLU QG 3.430 . 3.430 2.311 1.982 2.571 . 0 0 "[ . 1 . ]" 1
508 1 39 VAL MG2 1 48 GLU QG 3.310 . 3.310 2.225 1.911 2.911 . 0 0 "[ . 1 . ]" 1
509 1 40 CYS H 1 48 GLU QG 4.400 . 4.400 4.068 3.675 4.501 0.101 6 0 "[ . 1 . ]" 1
510 1 40 CYS QB 1 41 THR H 3.980 . 3.980 3.821 3.562 3.965 . 0 0 "[ . 1 . ]" 1
511 1 40 CYS QB 1 46 GLY H 5.210 . 5.210 3.317 2.519 4.178 . 0 0 "[ . 1 . ]" 1
512 1 40 CYS QB 1 49 TRP HD1 5.310 . 5.310 3.534 3.189 3.843 . 0 0 "[ . 1 . ]" 1
513 1 40 CYS QB 1 49 TRP HE1 4.060 . 4.060 2.554 2.201 3.040 . 0 0 "[ . 1 . ]" 1
514 1 42 ARG H 1 45 CYS QB 3.740 . 3.740 3.288 3.092 3.583 . 0 0 "[ . 1 . ]" 1
515 1 42 ARG H 1 46 GLY QA 5.340 . 5.340 4.549 3.909 5.306 . 0 0 "[ . 1 . ]" 1
516 1 42 ARG HB2 1 45 CYS QB 4.360 . 4.360 3.556 3.136 3.768 . 0 0 "[ . 1 . ]" 1
517 1 42 ARG HB3 1 45 CYS QB 3.620 . 3.620 2.100 1.825 2.272 . 0 0 "[ . 1 . ]" 1
518 1 42 ARG QD 1 45 CYS QB 3.380 . 3.380 2.165 1.909 2.873 . 0 0 "[ . 1 . ]" 1
519 1 45 CYS QB 1 46 GLY H 3.150 . 3.150 1.843 1.737 2.106 . 0 0 "[ . 1 . ]" 1
520 1 47 PHE QE 1 56 GLU QB 3.560 . 3.560 2.610 1.989 3.318 . 0 0 "[ . 1 . ]" 1
521 1 47 PHE QE 1 56 GLU QG 5.090 . 5.090 4.262 2.873 4.770 . 0 0 "[ . 1 . ]" 1
522 1 47 PHE HZ 1 56 GLU QB 3.330 . 3.330 1.891 1.772 2.043 . 0 0 "[ . 1 . ]" 1
523 1 48 GLU H 1 48 GLU QB 3.280 . 3.280 2.508 2.442 2.599 . 0 0 "[ . 1 . ]" 1
524 1 48 GLU H 1 48 GLU QG 3.580 . 3.580 2.767 2.427 3.628 0.048 5 0 "[ . 1 . ]" 1
525 1 48 GLU HA 1 48 GLU QG 3.320 . 3.320 2.451 2.404 2.518 . 0 0 "[ . 1 . ]" 1
526 1 48 GLU QB 1 49 TRP H 3.940 . 3.940 2.987 2.683 3.426 . 0 0 "[ . 1 . ]" 1
527 1 48 GLU QG 1 49 TRP H 4.560 . 4.560 4.063 3.852 4.248 . 0 0 "[ . 1 . ]" 1
528 1 49 TRP HA 1 57 TRP QB 5.340 . 5.340 2.946 1.935 3.990 . 0 0 "[ . 1 . ]" 1
529 1 49 TRP HE3 1 54 GLN QG 4.880 . 4.880 3.958 2.934 4.911 0.031 12 0 "[ . 1 . ]" 1
530 1 49 TRP HZ3 1 54 GLN QG 4.040 . 4.040 2.834 2.005 3.508 . 0 0 "[ . 1 . ]" 1
531 1 50 CYS H 1 50 CYS QB 3.540 . 3.540 2.833 2.719 2.992 . 0 0 "[ . 1 . ]" 1
532 1 50 CYS QB 1 53 CYS QB 3.690 . 3.690 3.737 3.526 3.838 0.148 1 0 "[ . 1 . ]" 1
533 1 50 CYS QB 1 57 TRP HA 5.000 . 5.000 3.973 3.091 4.619 . 0 0 "[ . 1 . ]" 1
534 1 50 CYS QB 1 66 TRP HA 5.340 . 5.340 4.746 3.453 5.359 0.019 8 0 "[ . 1 . ]" 1
535 1 50 CYS QB 1 66 TRP HE3 3.320 . 3.320 2.752 1.918 3.399 0.079 15 0 "[ . 1 . ]" 1
536 1 51 TRP HB3 1 52 VAL QG 4.290 . 4.290 2.929 2.718 3.195 . 0 0 "[ . 1 . ]" 1
537 1 51 TRP HD1 1 52 VAL QG 3.310 . 3.310 2.783 2.002 3.301 . 0 0 "[ . 1 . ]" 1
538 1 52 VAL H 1 52 VAL QG 3.100 . 3.100 1.939 1.760 2.071 . 0 0 "[ . 1 . ]" 1
539 1 52 VAL QG 1 65 HIS QB 4.280 . 4.280 3.698 2.621 4.552 0.272 9 0 "[ . 1 . ]" 1
540 1 52 VAL QG 1 65 HIS HD2 4.150 . 4.150 4.364 3.746 4.723 0.573 11 1 "[ . 1+ . ]" 1
541 1 52 VAL QG 1 65 HIS HE1 3.570 . 3.570 2.547 2.197 2.927 . 0 0 "[ . 1 . ]" 1
542 1 54 GLN HA 1 54 GLN QG 3.730 . 3.730 2.392 2.308 2.491 . 0 0 "[ . 1 . ]" 1
543 1 56 GLU H 1 56 GLU QB 3.150 . 3.150 2.700 2.453 3.247 0.097 10 0 "[ . 1 . ]" 1
544 1 56 GLU H 1 56 GLU QG 3.280 . 3.280 2.151 1.831 2.740 . 0 0 "[ . 1 . ]" 1
545 1 56 GLU HA 1 56 GLU QG 3.570 . 3.570 3.317 2.610 3.503 . 0 0 "[ . 1 . ]" 1
546 1 56 GLU QB 1 56 GLU QG 2.360 . 2.360 2.069 1.999 2.085 . 0 0 "[ . 1 . ]" 1
547 1 56 GLU QB 1 57 TRP H 4.090 . 4.090 2.513 2.029 3.044 . 0 0 "[ . 1 . ]" 1
548 1 56 GLU QB 1 57 TRP QB 5.180 . 5.180 4.463 4.227 4.871 . 0 0 "[ . 1 . ]" 1
549 1 57 TRP QB 1 58 THR H 4.280 . 4.280 3.128 2.436 3.771 . 0 0 "[ . 1 . ]" 1
550 1 59 ARG HA 1 62 MET QB 3.650 . 3.650 2.347 1.816 3.063 . 0 0 "[ . 1 . ]" 1
551 1 60 ASP H 1 60 ASP QB 3.460 . 3.460 2.320 2.163 2.470 . 0 0 "[ . 1 . ]" 1
552 1 60 ASP QB 1 61 CYS H 3.900 . 3.900 2.715 2.286 3.115 . 0 0 "[ . 1 . ]" 1
553 1 61 CYS H 1 61 CYS QB 3.370 . 3.370 2.661 2.312 3.026 . 0 0 "[ . 1 . ]" 1
554 1 61 CYS H 1 62 MET QB 5.340 . 5.340 4.168 3.933 4.599 . 0 0 "[ . 1 . ]" 1
555 1 62 MET QB 1 62 MET ME 3.350 . 3.350 2.097 1.955 3.554 0.204 14 0 "[ . 1 . ]" 1
556 1 62 MET QB 1 66 TRP HE1 4.300 . 4.300 3.386 1.807 4.328 0.028 12 0 "[ . 1 . ]" 1
557 1 62 MET QB 1 66 TRP HZ2 3.550 . 3.550 2.628 2.159 3.635 0.085 9 0 "[ . 1 . ]" 1
558 1 63 GLY QA 1 66 TRP HE1 4.210 . 4.210 3.820 3.091 4.250 0.040 7 0 "[ . 1 . ]" 1
559 1 66 TRP QB 1 66 TRP HD1 3.400 . 3.400 2.564 2.447 2.766 . 0 0 "[ . 1 . ]" 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 9
_Distance_constraint_stats_list.Viol_count 131
_Distance_constraint_stats_list.Viol_total 302.032
_Distance_constraint_stats_list.Viol_max 0.370
_Distance_constraint_stats_list.Viol_rms 0.0842
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0930
_Distance_constraint_stats_list.Viol_average_violations_only 0.1213
_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 22 CYS 4.395 0.283 12 0 "[ . 1 . ]"
1 25 CYS 7.844 0.370 18 0 "[ . 1 . ]"
1 40 CYS 5.255 0.234 13 0 "[ . 1 . ]"
1 45 CYS 6.548 0.370 18 0 "[ . 1 . ]"
1 50 CYS 3.587 0.241 2 0 "[ . 1 . ]"
1 53 CYS 2.962 0.241 2 0 "[ . 1 . ]"
1 61 CYS 1.200 0.146 14 0 "[ . 1 . ]"
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 22 CYS SG 1 25 CYS SG 3.960 3.770 4.150 3.598 3.487 3.707 0.283 12 0 "[ . 1 . ]" 2
2 1 22 CYS SG 1 40 CYS SG 3.960 3.770 4.150 3.749 3.641 3.959 0.129 18 0 "[ . 1 . ]" 2
3 1 22 CYS SG 1 45 CYS SG 3.960 3.770 4.150 3.971 3.724 4.329 0.179 12 0 "[ . 1 . ]" 2
4 1 25 CYS SG 1 40 CYS SG 3.960 3.770 4.150 3.802 3.564 4.186 0.206 10 0 "[ . 1 . ]" 2
5 1 25 CYS SG 1 45 CYS SG 3.960 3.770 4.150 3.601 3.400 3.707 0.370 18 0 "[ . 1 . ]" 2
6 1 40 CYS SG 1 45 CYS SG 3.960 3.770 4.150 3.609 3.536 3.706 0.234 13 0 "[ . 1 . ]" 2
7 1 50 CYS SG 1 53 CYS SG 3.960 3.770 4.150 3.629 3.529 3.724 0.241 2 0 "[ . 1 . ]" 2
8 1 50 CYS SG 1 61 CYS SG 3.960 3.770 4.150 3.761 3.624 4.033 0.146 14 0 "[ . 1 . ]" 2
9 1 53 CYS SG 1 61 CYS SG 3.960 3.770 4.150 3.965 3.705 4.194 0.065 6 0 "[ . 1 . ]" 2
stop_
save_
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