NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655230 |
7l51   |
30827 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7l51
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 874
_Distance_constraint_stats_list.Viol_count 510
_Distance_constraint_stats_list.Viol_total 286.865
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0281
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PHE 0.171 0.027 1 0 "[ . 1 . 2]"
1 3 CYS 0.505 0.060 11 0 "[ . 1 . 2]"
1 4 TRP 0.916 0.079 5 0 "[ . 1 . 2]"
1 5 HIS 0.156 0.049 2 0 "[ . 1 . 2]"
1 6 HIS 0.015 0.012 16 0 "[ . 1 . 2]"
1 7 SER 0.727 0.089 12 0 "[ . 1 . 2]"
1 8 CYS 0.180 0.178 12 0 "[ . 1 . 2]"
1 9 VAL 0.404 0.178 12 0 "[ . 1 . 2]"
1 10 PRO 0.143 0.139 12 0 "[ . 1 . 2]"
1 11 SER 0.281 0.078 15 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.087 0.027 8 0 "[ . 1 . 2]"
1 14 CYS 0.349 0.068 14 0 "[ . 1 . 2]"
1 15 ALA 0.584 0.068 14 0 "[ . 1 . 2]"
1 16 ASP 0.001 0.001 17 0 "[ . 1 . 2]"
1 17 PHE 0.802 0.053 18 0 "[ . 1 . 2]"
1 18 PRO 0.315 0.050 6 0 "[ . 1 . 2]"
1 19 TRP 3.395 0.195 6 0 "[ . 1 . 2]"
1 20 PRO 2.524 0.195 6 0 "[ . 1 . 2]"
1 21 LEU 1.004 0.090 16 0 "[ . 1 . 2]"
1 22 GLY 0.001 0.001 15 0 "[ . 1 . 2]"
1 23 HIS 0.143 0.014 19 0 "[ . 1 . 2]"
1 24 GLN 0.547 0.103 5 0 "[ . 1 . 2]"
1 25 CYS 0.388 0.085 5 0 "[ . 1 . 2]"
1 26 PHE 0.366 0.033 6 0 "[ . 1 . 2]"
1 27 PRO 0.281 0.078 15 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 PHE 0.195 0.024 15 0 "[ . 1 . 2]"
2 3 CYS 0.338 0.052 13 0 "[ . 1 . 2]"
2 4 TRP 0.653 0.052 13 0 "[ . 1 . 2]"
2 5 HIS 0.056 0.019 16 0 "[ . 1 . 2]"
2 6 HIS 0.019 0.019 16 0 "[ . 1 . 2]"
2 7 SER 0.420 0.090 16 0 "[ . 1 . 2]"
2 8 CYS 0.091 0.063 18 0 "[ . 1 . 2]"
2 9 VAL 0.130 0.063 18 0 "[ . 1 . 2]"
2 10 PRO 0.024 0.013 2 0 "[ . 1 . 2]"
2 11 SER 0.213 0.066 15 0 "[ . 1 . 2]"
2 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 THR 0.143 0.057 20 0 "[ . 1 . 2]"
2 14 CYS 0.370 0.070 9 0 "[ . 1 . 2]"
2 15 ALA 0.554 0.051 8 0 "[ . 1 . 2]"
2 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 PHE 0.872 0.052 4 0 "[ . 1 . 2]"
2 18 PRO 0.414 0.040 19 0 "[ . 1 . 2]"
2 19 TRP 2.766 0.190 11 0 "[ . 1 . 2]"
2 20 PRO 2.044 0.190 11 0 "[ . 1 . 2]"
2 21 LEU 1.339 0.089 12 0 "[ . 1 . 2]"
2 22 GLY 0.031 0.015 6 0 "[ . 1 . 2]"
2 23 HIS 0.057 0.015 17 0 "[ . 1 . 2]"
2 24 GLN 0.450 0.110 15 0 "[ . 1 . 2]"
2 25 CYS 0.294 0.110 15 0 "[ . 1 . 2]"
2 26 PHE 0.501 0.070 9 0 "[ . 1 . 2]"
2 27 PRO 0.213 0.066 15 0 "[ . 1 . 2]"
2 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PHE H 1 2 PHE HB3 2.945 . 4.090 2.889 2.739 3.029 . 0 0 "[ . 1 . 2]" 1
2 2 2 PHE H 2 2 PHE HB3 2.945 . 4.090 2.858 2.658 2.982 . 0 0 "[ . 1 . 2]" 1
3 1 2 PHE H 1 2 PHE HB2 2.945 . 4.090 3.353 3.201 3.430 . 0 0 "[ . 1 . 2]" 1
4 2 2 PHE H 2 2 PHE HB2 2.945 . 4.090 3.333 2.964 3.471 . 0 0 "[ . 1 . 2]" 1
5 1 2 PHE HB2 1 26 PHE QD 3.190 . 4.580 2.917 2.780 3.025 . 0 0 "[ . 1 . 2]" 1
6 2 2 PHE HB2 2 26 PHE QD 3.190 . 4.580 2.894 2.756 3.043 . 0 0 "[ . 1 . 2]" 1
7 1 2 PHE HB3 1 26 PHE QD 3.190 . 4.580 3.634 3.343 4.020 . 0 0 "[ . 1 . 2]" 1
8 2 2 PHE HB3 2 26 PHE QD 3.190 . 4.580 3.635 3.303 3.928 . 0 0 "[ . 1 . 2]" 1
9 1 1 GLY HA2 1 2 PHE H 2.535 . 3.270 2.641 2.446 2.778 . 0 0 "[ . 1 . 2]" 1
10 2 1 GLY HA2 2 2 PHE H 2.535 . 3.270 2.615 2.310 2.762 . 0 0 "[ . 1 . 2]" 1
11 1 1 GLY HA3 1 2 PHE H 2.535 . 3.270 2.508 2.423 2.629 . 0 0 "[ . 1 . 2]" 1
12 2 1 GLY HA3 2 2 PHE H 2.535 . 3.270 2.530 2.366 2.828 . 0 0 "[ . 1 . 2]" 1
13 1 2 PHE HA 1 3 CYS H 2.405 . 3.010 2.191 2.085 2.319 . 0 0 "[ . 1 . 2]" 1
14 2 2 PHE HA 2 3 CYS H 2.405 . 3.010 2.223 2.059 2.365 . 0 0 "[ . 1 . 2]" 1
15 1 4 TRP H 1 4 TRP HB3 2.870 . 3.940 2.927 2.726 3.058 . 0 0 "[ . 1 . 2]" 1
16 2 4 TRP H 2 4 TRP HB3 2.870 . 3.940 2.866 2.712 3.022 . 0 0 "[ . 1 . 2]" 1
17 1 4 TRP HB3 1 4 TRP HE3 2.995 . 4.190 4.110 4.037 4.183 . 0 0 "[ . 1 . 2]" 1
18 2 4 TRP HB3 2 4 TRP HE3 2.995 . 4.190 4.113 4.044 4.186 . 0 0 "[ . 1 . 2]" 1
19 1 2 PHE QD 1 26 PHE HB3 3.640 . 5.480 4.353 3.841 4.600 . 0 0 "[ . 1 . 2]" 1
20 2 2 PHE QD 2 26 PHE HB3 3.640 . 5.480 4.451 3.856 4.871 . 0 0 "[ . 1 . 2]" 1
21 1 5 HIS H 1 5 HIS HD2 3.235 . 4.670 4.334 3.260 4.719 0.049 2 0 "[ . 1 . 2]" 1
22 2 5 HIS H 2 5 HIS HD2 3.235 . 4.670 4.249 3.003 4.687 0.017 8 0 "[ . 1 . 2]" 1
23 1 4 TRP HB2 1 5 HIS H 3.650 . 5.500 4.255 4.163 4.388 . 0 0 "[ . 1 . 2]" 1
24 2 4 TRP HB2 2 5 HIS H 3.650 . 5.500 4.241 4.124 4.378 . 0 0 "[ . 1 . 2]" 1
25 1 5 HIS HA 1 5 HIS HD2 2.685 . 3.570 2.635 2.270 2.929 . 0 0 "[ . 1 . 2]" 1
26 2 5 HIS HA 2 5 HIS HD2 2.685 . 3.570 2.573 2.268 2.881 . 0 0 "[ . 1 . 2]" 1
27 1 6 HIS H 1 6 HIS HA 2.345 . 2.890 2.228 2.198 2.264 . 0 0 "[ . 1 . 2]" 1
28 2 6 HIS H 2 6 HIS HA 2.345 . 2.890 2.222 2.193 2.252 . 0 0 "[ . 1 . 2]" 1
29 1 6 HIS H 1 6 HIS QB 2.685 . 3.570 3.397 3.348 3.452 . 0 0 "[ . 1 . 2]" 1
30 2 6 HIS H 2 6 HIS QB 2.685 . 3.570 3.402 3.345 3.457 . 0 0 "[ . 1 . 2]" 1
31 1 5 HIS HA 1 6 HIS H 2.670 . 3.540 2.768 2.358 2.972 . 0 0 "[ . 1 . 2]" 1
32 2 5 HIS HA 2 6 HIS H 2.670 . 3.540 2.769 2.349 2.951 . 0 0 "[ . 1 . 2]" 1
33 1 7 SER H 1 7 SER HB2 2.930 . 4.060 2.498 2.364 2.722 . 0 0 "[ . 1 . 2]" 1
34 2 7 SER H 2 7 SER HB2 2.930 . 4.060 2.511 2.411 2.737 . 0 0 "[ . 1 . 2]" 1
35 1 7 SER H 1 7 SER HB3 2.930 . 4.060 3.651 3.563 3.792 . 0 0 "[ . 1 . 2]" 1
36 2 7 SER H 2 7 SER HB3 2.930 . 4.060 3.663 3.572 3.846 . 0 0 "[ . 1 . 2]" 1
37 1 6 HIS QB 1 7 SER H 3.215 . 4.630 3.613 3.460 3.707 . 0 0 "[ . 1 . 2]" 1
38 2 6 HIS QB 2 7 SER H 3.215 . 4.630 3.622 3.470 3.841 . 0 0 "[ . 1 . 2]" 1
39 1 7 SER HA 1 8 CYS H 2.455 . 3.110 2.236 2.132 2.360 . 0 0 "[ . 1 . 2]" 1
40 2 7 SER HA 2 8 CYS H 2.455 . 3.110 2.233 2.145 2.393 . 0 0 "[ . 1 . 2]" 1
41 1 3 CYS HA 1 8 CYS HA 2.300 . 2.800 2.079 1.881 2.259 . 0 0 "[ . 1 . 2]" 1
42 2 3 CYS HA 2 8 CYS HA 2.300 . 2.800 2.023 1.894 2.161 . 0 0 "[ . 1 . 2]" 1
43 1 4 TRP H 1 8 CYS HA 2.745 . 3.690 3.502 3.364 3.692 0.002 5 0 "[ . 1 . 2]" 1
44 2 4 TRP H 2 8 CYS HA 2.745 . 3.690 3.442 2.954 3.613 . 0 0 "[ . 1 . 2]" 1
45 1 3 CYS HA 1 4 TRP H 2.345 . 2.890 2.126 2.055 2.188 . 0 0 "[ . 1 . 2]" 1
46 2 3 CYS HA 2 4 TRP H 2.345 . 2.890 2.136 2.081 2.196 . 0 0 "[ . 1 . 2]" 1
47 1 3 CYS HA 1 9 VAL H 2.790 . 3.780 3.493 3.072 3.791 0.011 9 0 "[ . 1 . 2]" 1
48 2 3 CYS HA 2 9 VAL H 2.790 . 3.780 3.390 3.045 3.740 . 0 0 "[ . 1 . 2]" 1
49 1 8 CYS HA 1 9 VAL H 2.355 . 2.910 2.162 2.087 2.257 . 0 0 "[ . 1 . 2]" 1
50 2 8 CYS HA 2 9 VAL H 2.355 . 2.910 2.165 2.099 2.233 . 0 0 "[ . 1 . 2]" 1
51 1 9 VAL HA 1 10 PRO HD2 2.465 . 3.130 2.527 2.040 3.043 . 0 0 "[ . 1 . 2]" 1
52 2 9 VAL HA 2 10 PRO HD2 2.465 . 3.130 2.537 2.252 3.068 . 0 0 "[ . 1 . 2]" 1
53 1 9 VAL HA 1 10 PRO HD3 2.465 . 3.130 2.257 1.921 2.480 . 0 0 "[ . 1 . 2]" 1
54 2 9 VAL HA 2 10 PRO HD3 2.465 . 3.130 2.228 1.882 2.445 . 0 0 "[ . 1 . 2]" 1
55 1 10 PRO HA 1 11 SER H 2.320 . 2.840 2.281 2.219 2.349 . 0 0 "[ . 1 . 2]" 1
56 2 10 PRO HA 2 11 SER H 2.320 . 2.840 2.276 2.161 2.365 . 0 0 "[ . 1 . 2]" 1
57 1 11 SER H 1 11 SER HB3 2.755 . 3.710 3.307 2.566 3.519 . 0 0 "[ . 1 . 2]" 1
58 2 11 SER H 2 11 SER HB3 2.755 . 3.710 3.366 2.656 3.545 . 0 0 "[ . 1 . 2]" 1
59 1 10 PRO HB2 1 11 SER H 2.840 . 3.880 2.900 2.576 3.396 . 0 0 "[ . 1 . 2]" 1
60 2 10 PRO HB2 2 11 SER H 2.840 . 3.880 2.934 2.618 3.608 . 0 0 "[ . 1 . 2]" 1
61 1 11 SER HB3 1 12 GLY H 3.080 . 4.360 3.493 3.048 4.150 . 0 0 "[ . 1 . 2]" 1
62 2 11 SER HB3 2 12 GLY H 3.080 . 4.360 3.483 3.251 4.168 . 0 0 "[ . 1 . 2]" 1
63 1 11 SER HA 1 12 GLY H 2.310 . 2.820 2.184 2.146 2.223 . 0 0 "[ . 1 . 2]" 1
64 2 11 SER HA 2 12 GLY H 2.310 . 2.820 2.181 2.155 2.215 . 0 0 "[ . 1 . 2]" 1
65 1 13 THR H 1 13 THR HB 2.720 . 3.640 2.527 2.443 2.579 . 0 0 "[ . 1 . 2]" 1
66 2 13 THR H 2 13 THR HB 2.720 . 3.640 2.551 2.436 3.418 . 0 0 "[ . 1 . 2]" 1
67 1 13 THR H 1 13 THR MG 3.120 . 4.440 3.745 3.724 3.769 . 0 0 "[ . 1 . 2]" 1
68 2 13 THR H 2 13 THR MG 3.120 . 4.440 3.699 2.751 3.772 . 0 0 "[ . 1 . 2]" 1
69 1 13 THR MG 1 14 CYS H 2.510 . 3.220 2.700 2.322 2.916 . 0 0 "[ . 1 . 2]" 1
70 2 13 THR MG 2 14 CYS H 2.510 . 3.220 2.775 2.406 3.238 0.018 20 0 "[ . 1 . 2]" 1
71 1 13 THR HB 1 14 CYS H 3.075 . 4.350 4.155 3.895 4.280 . 0 0 "[ . 1 . 2]" 1
72 2 13 THR HB 2 14 CYS H 3.075 . 4.350 4.127 2.963 4.320 . 0 0 "[ . 1 . 2]" 1
73 1 13 THR HA 1 14 CYS H 2.310 . 2.820 2.190 2.136 2.316 . 0 0 "[ . 1 . 2]" 1
74 2 13 THR HA 2 14 CYS H 2.310 . 2.820 2.184 2.097 2.267 . 0 0 "[ . 1 . 2]" 1
75 1 15 ALA H 1 15 ALA MB 2.590 . 3.380 2.574 2.449 2.678 . 0 0 "[ . 1 . 2]" 1
76 2 15 ALA H 2 15 ALA MB 2.590 . 3.380 2.568 2.450 2.723 . 0 0 "[ . 1 . 2]" 1
77 1 14 CYS HA 1 15 ALA H 2.390 . 2.980 2.280 2.132 2.513 . 0 0 "[ . 1 . 2]" 1
78 2 14 CYS HA 2 15 ALA H 2.390 . 2.980 2.286 2.120 2.489 . 0 0 "[ . 1 . 2]" 1
79 1 14 CYS HB3 1 15 ALA H 2.900 . 4.000 3.008 2.604 3.861 . 0 0 "[ . 1 . 2]" 1
80 2 14 CYS HB3 2 15 ALA H 2.900 . 4.000 3.033 2.618 3.877 . 0 0 "[ . 1 . 2]" 1
81 1 14 CYS HB2 1 15 ALA H 2.900 . 4.000 3.883 3.522 4.068 0.068 14 0 "[ . 1 . 2]" 1
82 2 14 CYS HB2 2 15 ALA H 2.900 . 4.000 3.911 3.588 4.051 0.051 8 0 "[ . 1 . 2]" 1
83 1 16 ASP H 1 16 ASP HB2 2.785 . 3.770 3.129 2.449 3.771 0.001 17 0 "[ . 1 . 2]" 1
84 2 16 ASP H 2 16 ASP HB2 2.785 . 3.770 3.005 2.458 3.769 . 0 0 "[ . 1 . 2]" 1
85 1 16 ASP H 1 16 ASP HB3 2.785 . 3.770 2.813 2.340 3.676 . 0 0 "[ . 1 . 2]" 1
86 2 16 ASP H 2 16 ASP HB3 2.785 . 3.770 2.788 2.325 3.692 . 0 0 "[ . 1 . 2]" 1
87 1 15 ALA HA 1 16 ASP H 2.295 . 2.790 2.228 2.097 2.339 . 0 0 "[ . 1 . 2]" 1
88 2 15 ALA HA 2 16 ASP H 2.295 . 2.790 2.237 2.132 2.362 . 0 0 "[ . 1 . 2]" 1
89 1 15 ALA MB 1 16 ASP H 2.515 . 3.230 2.719 2.422 2.953 . 0 0 "[ . 1 . 2]" 1
90 2 15 ALA MB 2 16 ASP H 2.515 . 3.230 2.649 2.418 2.780 . 0 0 "[ . 1 . 2]" 1
91 1 17 PHE H 1 17 PHE HB2 2.795 . 3.790 2.462 2.324 2.661 . 0 0 "[ . 1 . 2]" 1
92 2 17 PHE H 2 17 PHE HB2 2.795 . 3.790 2.490 2.345 2.625 . 0 0 "[ . 1 . 2]" 1
93 1 17 PHE H 1 17 PHE HB3 2.795 . 3.790 3.644 3.567 3.760 . 0 0 "[ . 1 . 2]" 1
94 2 17 PHE H 2 17 PHE HB3 2.795 . 3.790 3.663 3.577 3.738 . 0 0 "[ . 1 . 2]" 1
95 1 16 ASP HA 1 17 PHE H 2.340 . 2.880 2.116 2.032 2.199 . 0 0 "[ . 1 . 2]" 1
96 2 16 ASP HA 2 17 PHE H 2.340 . 2.880 2.144 2.076 2.215 . 0 0 "[ . 1 . 2]" 1
97 1 17 PHE HB3 1 22 GLY H 2.955 . 4.110 3.631 3.237 4.007 . 0 0 "[ . 1 . 2]" 1
98 2 17 PHE HB3 2 22 GLY H 2.955 . 4.110 3.603 3.363 4.111 0.001 17 0 "[ . 1 . 2]" 1
99 1 17 PHE HB2 1 22 GLY H 2.955 . 4.110 2.916 2.665 3.168 . 0 0 "[ . 1 . 2]" 1
100 2 17 PHE HB2 2 22 GLY H 2.955 . 4.110 2.954 2.637 3.346 . 0 0 "[ . 1 . 2]" 1
101 1 16 ASP HA 1 17 PHE QD 2.960 . 4.120 3.677 3.134 4.108 . 0 0 "[ . 1 . 2]" 1
102 2 16 ASP HA 2 17 PHE QD 2.960 . 4.120 3.743 3.151 4.088 . 0 0 "[ . 1 . 2]" 1
103 1 17 PHE HA 1 17 PHE QD 2.785 . 3.770 2.948 2.725 3.127 . 0 0 "[ . 1 . 2]" 1
104 2 17 PHE HA 2 17 PHE QD 2.785 . 3.770 2.954 2.771 3.148 . 0 0 "[ . 1 . 2]" 1
105 1 17 PHE HA 1 18 PRO HD2 2.810 . 3.820 3.036 2.814 3.241 . 0 0 "[ . 1 . 2]" 1
106 2 17 PHE HA 2 18 PRO HD2 2.810 . 3.820 3.010 2.498 3.176 . 0 0 "[ . 1 . 2]" 1
107 1 17 PHE HA 1 18 PRO HD3 2.810 . 3.820 2.081 1.974 2.296 . 0 0 "[ . 1 . 2]" 1
108 2 17 PHE HA 2 18 PRO HD3 2.810 . 3.820 2.081 1.958 2.349 . 0 0 "[ . 1 . 2]" 1
109 1 19 TRP H 1 19 TRP HB2 2.400 . 3.000 2.457 2.320 2.724 . 0 0 "[ . 1 . 2]" 1
110 2 19 TRP H 2 19 TRP HB2 2.400 . 3.000 2.468 2.343 2.787 . 0 0 "[ . 1 . 2]" 1
111 1 19 TRP H 1 19 TRP HB3 2.400 . 3.000 2.494 2.244 2.625 . 0 0 "[ . 1 . 2]" 1
112 2 19 TRP H 2 19 TRP HB3 2.400 . 3.000 2.496 2.241 2.602 . 0 0 "[ . 1 . 2]" 1
113 1 18 PRO HB2 1 19 TRP H 2.950 . 4.100 2.864 2.500 3.070 . 0 0 "[ . 1 . 2]" 1
114 2 18 PRO HB2 2 19 TRP H 2.950 . 4.100 2.892 2.498 3.418 . 0 0 "[ . 1 . 2]" 1
115 1 18 PRO HA 1 19 TRP H 2.470 . 3.140 2.426 2.376 2.461 . 0 0 "[ . 1 . 2]" 1
116 2 18 PRO HA 2 19 TRP H 2.470 . 3.140 2.413 2.297 2.464 . 0 0 "[ . 1 . 2]" 1
117 1 19 TRP HA 1 19 TRP HE3 3.195 . 4.590 4.242 3.298 4.611 0.021 18 0 "[ . 1 . 2]" 1
118 2 19 TRP HA 2 19 TRP HE3 3.195 . 4.590 4.317 3.303 4.602 0.012 1 0 "[ . 1 . 2]" 1
119 1 19 TRP HA 1 19 TRP HD1 2.845 . 3.890 3.414 2.944 4.073 0.183 11 0 "[ . 1 . 2]" 1
120 2 19 TRP HA 2 19 TRP HD1 2.845 . 3.890 3.339 3.042 4.075 0.185 11 0 "[ . 1 . 2]" 1
121 1 19 TRP H 1 19 TRP HD1 3.555 . 5.310 4.683 4.338 4.927 . 0 0 "[ . 1 . 2]" 1
122 2 19 TRP H 2 19 TRP HD1 3.555 . 5.310 4.712 4.289 4.895 . 0 0 "[ . 1 . 2]" 1
123 1 19 TRP H 1 19 TRP HE3 3.650 . 5.500 4.909 4.673 5.185 . 0 0 "[ . 1 . 2]" 1
124 2 19 TRP H 2 19 TRP HE3 3.650 . 5.500 4.883 4.687 5.281 . 0 0 "[ . 1 . 2]" 1
125 1 19 TRP HA 1 20 PRO HA 2.255 . 2.710 2.100 1.992 2.206 . 0 0 "[ . 1 . 2]" 1
126 2 19 TRP HA 2 20 PRO HA 2.255 . 2.710 2.145 2.040 2.290 . 0 0 "[ . 1 . 2]" 1
127 1 23 HIS H 1 23 HIS HB2 2.770 . 3.740 2.979 2.387 3.753 0.013 10 0 "[ . 1 . 2]" 1
128 2 23 HIS H 2 23 HIS HB2 2.770 . 3.740 2.887 2.366 3.723 . 0 0 "[ . 1 . 2]" 1
129 1 23 HIS H 1 23 HIS HB3 2.770 . 3.740 3.084 2.523 3.659 . 0 0 "[ . 1 . 2]" 1
130 2 23 HIS H 2 23 HIS HB3 2.770 . 3.740 3.134 2.437 3.711 . 0 0 "[ . 1 . 2]" 1
131 1 22 GLY HA3 1 23 HIS H 2.510 . 3.220 2.234 2.125 2.377 . 0 0 "[ . 1 . 2]" 1
132 2 22 GLY HA3 2 23 HIS H 2.510 . 3.220 2.265 2.126 2.489 . 0 0 "[ . 1 . 2]" 1
133 1 22 GLY HA2 1 23 HIS H 2.510 . 3.220 2.977 2.724 3.221 0.001 15 0 "[ . 1 . 2]" 1
134 2 22 GLY HA2 2 23 HIS H 2.510 . 3.220 2.919 2.536 3.228 0.008 7 0 "[ . 1 . 2]" 1
135 1 23 HIS HB3 1 23 HIS HD2 2.870 . 3.940 3.485 2.756 3.953 0.013 17 0 "[ . 1 . 2]" 1
136 2 23 HIS HB3 2 23 HIS HD2 2.870 . 3.940 3.402 2.785 3.944 0.004 14 0 "[ . 1 . 2]" 1
137 1 23 HIS HB2 1 23 HIS HD2 2.870 . 3.940 3.361 2.696 3.954 0.014 19 0 "[ . 1 . 2]" 1
138 2 23 HIS HB2 2 23 HIS HD2 2.870 . 3.940 3.378 2.701 3.955 0.015 17 0 "[ . 1 . 2]" 1
139 1 23 HIS HA 1 23 HIS HD2 3.205 . 4.610 3.943 2.840 4.621 0.011 10 0 "[ . 1 . 2]" 1
140 2 23 HIS HA 2 23 HIS HD2 3.205 . 4.610 3.926 2.833 4.612 0.002 12 0 "[ . 1 . 2]" 1
141 1 23 HIS H 1 23 HIS HD2 3.650 . 5.500 3.828 1.891 5.224 . 0 0 "[ . 1 . 2]" 1
142 2 23 HIS H 2 23 HIS HD2 3.650 . 5.500 3.711 1.924 5.146 . 0 0 "[ . 1 . 2]" 1
143 1 23 HIS HA 1 24 GLN H 2.305 . 2.810 2.106 2.024 2.217 . 0 0 "[ . 1 . 2]" 1
144 2 23 HIS HA 2 24 GLN H 2.305 . 2.810 2.120 2.056 2.170 . 0 0 "[ . 1 . 2]" 1
145 1 24 GLN H 1 24 GLN HB3 2.900 . 4.000 3.715 3.519 3.790 . 0 0 "[ . 1 . 2]" 1
146 2 24 GLN H 2 24 GLN HB3 2.900 . 4.000 3.737 3.649 3.823 . 0 0 "[ . 1 . 2]" 1
147 1 25 CYS H 1 25 CYS HB3 2.750 . 3.700 3.330 2.676 3.730 0.030 5 0 "[ . 1 . 2]" 1
148 2 25 CYS H 2 25 CYS HB3 2.750 . 3.700 3.206 2.603 3.716 0.016 3 0 "[ . 1 . 2]" 1
149 1 25 CYS H 1 25 CYS HB2 2.750 . 3.700 2.722 2.426 3.186 . 0 0 "[ . 1 . 2]" 1
150 2 25 CYS H 2 25 CYS HB2 2.750 . 3.700 2.757 2.445 3.282 . 0 0 "[ . 1 . 2]" 1
151 1 24 GLN HA 1 25 CYS H 2.285 . 2.770 2.185 2.041 2.476 . 0 0 "[ . 1 . 2]" 1
152 2 24 GLN HA 2 25 CYS H 2.285 . 2.770 2.156 1.977 2.426 . 0 0 "[ . 1 . 2]" 1
153 1 24 GLN HB3 1 25 CYS H 3.015 . 4.230 2.951 2.382 3.407 . 0 0 "[ . 1 . 2]" 1
154 2 24 GLN HB3 2 25 CYS H 3.015 . 4.230 3.027 2.392 3.413 . 0 0 "[ . 1 . 2]" 1
155 1 24 GLN HB2 1 25 CYS H 3.015 . 4.230 4.017 3.613 4.256 0.026 4 0 "[ . 1 . 2]" 1
156 2 24 GLN HB2 2 25 CYS H 3.015 . 4.230 4.056 3.645 4.266 0.036 9 0 "[ . 1 . 2]" 1
157 1 26 PHE H 1 26 PHE HB2 2.860 . 3.920 2.549 2.494 2.614 . 0 0 "[ . 1 . 2]" 1
158 2 26 PHE H 2 26 PHE HB2 2.860 . 3.920 2.563 2.466 2.665 . 0 0 "[ . 1 . 2]" 1
159 1 25 CYS HA 1 26 PHE H 2.445 . 3.090 2.234 2.097 2.381 . 0 0 "[ . 1 . 2]" 1
160 2 25 CYS HA 2 26 PHE H 2.445 . 3.090 2.237 2.066 2.394 . 0 0 "[ . 1 . 2]" 1
161 1 14 CYS HA 1 26 PHE H 2.710 . 3.620 2.944 2.520 3.207 . 0 0 "[ . 1 . 2]" 1
162 2 14 CYS HA 2 26 PHE H 2.710 . 3.620 2.926 2.543 3.242 . 0 0 "[ . 1 . 2]" 1
163 1 14 CYS HA 1 25 CYS H 3.650 . 5.500 4.539 4.301 4.715 . 0 0 "[ . 1 . 2]" 1
164 2 14 CYS HA 2 25 CYS H 3.650 . 5.500 4.547 4.259 4.672 . 0 0 "[ . 1 . 2]" 1
165 1 25 CYS HA 1 26 PHE QD 3.130 . 4.460 3.860 3.583 4.174 . 0 0 "[ . 1 . 2]" 1
166 2 25 CYS HA 2 26 PHE QD 3.130 . 4.460 3.865 3.632 4.125 . 0 0 "[ . 1 . 2]" 1
167 1 26 PHE HA 1 26 PHE QD 2.550 . 3.300 2.619 2.467 2.775 . 0 0 "[ . 1 . 2]" 1
168 2 26 PHE HA 2 26 PHE QD 2.550 . 3.300 2.622 2.516 2.721 . 0 0 "[ . 1 . 2]" 1
169 1 14 CYS HA 1 26 PHE QD 2.960 . 4.120 3.583 3.179 4.000 . 0 0 "[ . 1 . 2]" 1
170 2 14 CYS HA 2 26 PHE QD 2.960 . 4.120 3.658 3.011 4.062 . 0 0 "[ . 1 . 2]" 1
171 1 14 CYS HA 1 25 CYS HA 2.375 . 2.950 1.869 1.795 1.962 0.005 13 0 "[ . 1 . 2]" 1
172 2 14 CYS HA 2 25 CYS HA 2.375 . 2.950 1.856 1.793 1.995 0.007 6 0 "[ . 1 . 2]" 1
173 1 26 PHE HA 1 27 PRO HD2 2.685 . 3.570 2.314 2.014 2.653 . 0 0 "[ . 1 . 2]" 1
174 2 26 PHE HA 2 27 PRO HD2 2.685 . 3.570 2.389 2.031 2.753 . 0 0 "[ . 1 . 2]" 1
175 1 26 PHE HA 1 27 PRO HD3 2.685 . 3.570 2.267 1.993 2.613 . 0 0 "[ . 1 . 2]" 1
176 2 26 PHE HA 2 27 PRO HD3 2.685 . 3.570 2.264 2.023 2.626 . 0 0 "[ . 1 . 2]" 1
177 1 27 PRO HG3 1 28 ASP H 3.210 . 4.620 4.262 3.987 4.576 . 0 0 "[ . 1 . 2]" 1
178 2 27 PRO HG3 2 28 ASP H 3.210 . 4.620 4.320 3.964 4.569 . 0 0 "[ . 1 . 2]" 1
179 1 27 PRO HG2 1 28 ASP H 3.210 . 4.620 3.249 2.489 4.216 . 0 0 "[ . 1 . 2]" 1
180 2 27 PRO HG2 2 28 ASP H 3.210 . 4.620 3.452 2.485 4.223 . 0 0 "[ . 1 . 2]" 1
181 1 27 PRO HD3 1 28 ASP H 3.285 . 4.770 3.799 3.504 4.009 . 0 0 "[ . 1 . 2]" 1
182 2 27 PRO HD3 2 28 ASP H 3.285 . 4.770 3.775 3.494 4.034 . 0 0 "[ . 1 . 2]" 1
183 1 27 PRO HD2 1 28 ASP H 3.285 . 4.770 2.551 2.261 2.907 . 0 0 "[ . 1 . 2]" 1
184 2 27 PRO HD2 2 28 ASP H 3.285 . 4.770 2.534 2.192 2.895 . 0 0 "[ . 1 . 2]" 1
185 1 1 GLY HA2 1 11 SER H 3.650 . 5.500 3.942 3.694 4.272 . 0 0 "[ . 1 . 2]" 1
186 2 1 GLY HA2 2 11 SER H 3.650 . 5.500 4.089 3.765 4.448 . 0 0 "[ . 1 . 2]" 1
187 1 4 TRP HA 1 5 HIS H 2.405 . 3.010 2.186 2.061 2.270 . 0 0 "[ . 1 . 2]" 1
188 2 4 TRP HA 2 5 HIS H 2.405 . 3.010 2.174 2.051 2.254 . 0 0 "[ . 1 . 2]" 1
189 1 4 TRP HA 1 4 TRP HE3 2.695 . 3.590 3.146 2.518 3.456 . 0 0 "[ . 1 . 2]" 1
190 2 4 TRP HA 2 4 TRP HE3 2.695 . 3.590 3.132 2.658 3.421 . 0 0 "[ . 1 . 2]" 1
191 1 1 GLY HA3 1 11 SER H 3.650 . 5.500 3.807 3.641 4.085 . 0 0 "[ . 1 . 2]" 1
192 2 1 GLY HA3 2 11 SER H 3.650 . 5.500 3.806 3.552 4.065 . 0 0 "[ . 1 . 2]" 1
193 1 4 TRP HE3 1 5 HIS H 3.650 . 5.500 4.694 4.033 5.155 . 0 0 "[ . 1 . 2]" 1
194 2 4 TRP HE3 2 5 HIS H 3.650 . 5.500 4.631 4.043 5.169 . 0 0 "[ . 1 . 2]" 1
195 1 5 HIS H 1 7 SER H 3.650 . 5.500 4.166 4.015 4.280 . 0 0 "[ . 1 . 2]" 1
196 2 5 HIS H 2 7 SER H 3.650 . 5.500 4.192 4.085 4.301 . 0 0 "[ . 1 . 2]" 1
197 1 13 THR MG 1 26 PHE QD 2.905 . 4.010 3.081 2.589 3.658 . 0 0 "[ . 1 . 2]" 1
198 2 13 THR MG 2 26 PHE QD 2.905 . 4.010 3.040 2.670 3.817 . 0 0 "[ . 1 . 2]" 1
199 1 6 HIS HA 1 6 HIS QB 2.350 . 2.900 2.404 2.347 2.448 . 0 0 "[ . 1 . 2]" 1
200 2 6 HIS HA 2 6 HIS QB 2.350 . 2.900 2.401 2.353 2.422 . 0 0 "[ . 1 . 2]" 1
201 1 3 CYS HA 1 7 SER H 3.645 . 5.490 4.464 4.128 4.746 . 0 0 "[ . 1 . 2]" 1
202 2 3 CYS HA 2 7 SER H 3.645 . 5.490 4.497 4.115 4.763 . 0 0 "[ . 1 . 2]" 1
203 1 6 HIS H 1 7 SER H 2.730 . 3.660 2.660 2.515 2.834 . 0 0 "[ . 1 . 2]" 1
204 2 6 HIS H 2 7 SER H 2.730 . 3.660 2.660 2.574 2.784 . 0 0 "[ . 1 . 2]" 1
205 1 4 TRP H 1 7 SER H 2.745 . 3.690 3.001 2.839 3.178 . 0 0 "[ . 1 . 2]" 1
206 2 4 TRP H 2 7 SER H 2.745 . 3.690 3.030 2.843 3.288 . 0 0 "[ . 1 . 2]" 1
207 1 5 HIS HB2 1 7 SER H 3.650 . 5.500 4.485 3.300 5.403 . 0 0 "[ . 1 . 2]" 1
208 2 5 HIS HB2 2 7 SER H 3.650 . 5.500 4.512 3.528 5.385 . 0 0 "[ . 1 . 2]" 1
209 1 2 PHE H 1 9 VAL H 3.125 . 4.450 2.773 2.593 3.030 . 0 0 "[ . 1 . 2]" 1
210 2 2 PHE H 2 9 VAL H 3.125 . 4.450 2.849 2.647 3.309 . 0 0 "[ . 1 . 2]" 1
211 1 17 PHE H 1 17 PHE QD 2.610 . 3.420 2.800 2.461 3.178 . 0 0 "[ . 1 . 2]" 1
212 2 17 PHE H 2 17 PHE QD 2.610 . 3.420 2.810 2.444 3.208 . 0 0 "[ . 1 . 2]" 1
213 1 26 PHE H 1 26 PHE QD 2.670 . 3.540 2.869 2.698 3.044 . 0 0 "[ . 1 . 2]" 1
214 2 26 PHE H 2 26 PHE QD 2.670 . 3.540 2.889 2.542 3.101 . 0 0 "[ . 1 . 2]" 1
215 1 17 PHE QD 1 24 GLN H 3.055 . 4.310 2.793 2.400 3.367 . 0 0 "[ . 1 . 2]" 1
216 2 17 PHE QD 2 24 GLN H 3.055 . 4.310 2.696 2.144 3.038 . 0 0 "[ . 1 . 2]" 1
217 1 22 GLY H 1 23 HIS H 3.355 . 4.910 4.575 4.490 4.624 . 0 0 "[ . 1 . 2]" 1
218 2 22 GLY H 2 23 HIS H 3.355 . 4.910 4.562 4.466 4.617 . 0 0 "[ . 1 . 2]" 1
219 1 19 TRP H 1 22 GLY H 3.640 . 5.480 4.398 4.109 4.704 . 0 0 "[ . 1 . 2]" 1
220 2 19 TRP H 2 22 GLY H 3.640 . 5.480 4.376 4.056 4.680 . 0 0 "[ . 1 . 2]" 1
221 1 12 GLY H 1 13 THR H 2.620 . 3.440 2.325 2.145 2.533 . 0 0 "[ . 1 . 2]" 1
222 2 12 GLY H 2 13 THR H 2.620 . 3.440 2.271 2.175 2.508 . 0 0 "[ . 1 . 2]" 1
223 1 21 LEU H 1 22 GLY H 2.800 . 3.800 2.610 2.398 2.784 . 0 0 "[ . 1 . 2]" 1
224 2 21 LEU H 2 22 GLY H 2.800 . 3.800 2.603 2.378 3.000 . 0 0 "[ . 1 . 2]" 1
225 1 15 ALA H 1 24 GLN H 2.920 . 4.040 3.252 3.028 3.483 . 0 0 "[ . 1 . 2]" 1
226 2 15 ALA H 2 24 GLN H 2.920 . 4.040 3.271 2.996 3.689 . 0 0 "[ . 1 . 2]" 1
227 1 13 THR H 1 14 CYS H 3.605 . 5.410 4.526 4.435 4.628 . 0 0 "[ . 1 . 2]" 1
228 2 13 THR H 2 14 CYS H 3.605 . 5.410 4.507 4.436 4.590 . 0 0 "[ . 1 . 2]" 1
229 1 17 PHE QD 1 18 PRO HD3 2.915 . 4.030 3.352 2.932 3.498 . 0 0 "[ . 1 . 2]" 1
230 2 17 PHE QD 2 18 PRO HD3 2.915 . 4.030 3.378 2.999 3.530 . 0 0 "[ . 1 . 2]" 1
231 1 17 PHE QD 1 18 PRO HD2 2.915 . 4.030 3.117 2.715 3.333 . 0 0 "[ . 1 . 2]" 1
232 2 17 PHE QD 2 18 PRO HD2 2.915 . 4.030 3.123 2.415 3.285 . 0 0 "[ . 1 . 2]" 1
233 1 21 LEU H 1 21 LEU MD1 3.650 . 5.500 3.690 2.131 4.174 . 0 0 "[ . 1 . 2]" 1
234 2 21 LEU H 2 21 LEU MD1 3.650 . 5.500 3.708 2.255 4.310 . 0 0 "[ . 1 . 2]" 1
235 1 21 LEU H 1 21 LEU MD2 3.650 . 5.500 3.553 2.222 4.294 . 0 0 "[ . 1 . 2]" 1
236 2 21 LEU H 2 21 LEU MD2 3.650 . 5.500 3.633 2.415 4.321 . 0 0 "[ . 1 . 2]" 1
237 1 21 LEU H 1 21 LEU HB2 2.835 . 3.870 2.441 2.304 2.688 . 0 0 "[ . 1 . 2]" 1
238 2 21 LEU H 2 21 LEU HB2 2.835 . 3.870 2.385 2.135 2.684 . 0 0 "[ . 1 . 2]" 1
239 1 21 LEU H 1 21 LEU HG 3.210 . 4.620 3.541 2.328 4.562 . 0 0 "[ . 1 . 2]" 1
240 2 21 LEU H 2 21 LEU HG 3.210 . 4.620 3.703 2.285 4.571 . 0 0 "[ . 1 . 2]" 1
241 1 21 LEU H 1 21 LEU HB3 2.835 . 3.870 3.333 2.477 3.658 . 0 0 "[ . 1 . 2]" 1
242 2 21 LEU H 2 21 LEU HB3 2.835 . 3.870 3.254 2.504 3.653 . 0 0 "[ . 1 . 2]" 1
243 1 17 PHE QE 1 18 PRO HD3 3.650 . 5.500 5.441 5.138 5.550 0.050 6 0 "[ . 1 . 2]" 1
244 2 17 PHE QE 2 18 PRO HD3 3.650 . 5.500 5.455 5.095 5.540 0.040 19 0 "[ . 1 . 2]" 1
245 1 17 PHE QE 1 18 PRO HD2 3.650 . 5.500 5.380 5.003 5.541 0.041 10 0 "[ . 1 . 2]" 1
246 2 17 PHE QE 2 18 PRO HD2 3.650 . 5.500 5.390 4.711 5.533 0.033 2 0 "[ . 1 . 2]" 1
247 1 17 PHE HA 1 17 PHE QE 3.650 . 5.500 4.676 4.590 4.748 . 0 0 "[ . 1 . 2]" 1
248 2 17 PHE HA 2 17 PHE QE 3.650 . 5.500 4.673 4.564 4.754 . 0 0 "[ . 1 . 2]" 1
249 1 17 PHE QD 1 26 PHE QE 3.620 . 5.440 4.935 4.536 5.258 . 0 0 "[ . 1 . 2]" 1
250 2 17 PHE QD 2 26 PHE QE 3.620 . 5.440 4.939 4.573 5.127 . 0 0 "[ . 1 . 2]" 1
251 1 26 PHE QE 2 17 PHE QD 3.650 . 5.500 3.366 2.640 4.139 . 0 0 "[ . 1 . 2]" 1
252 1 17 PHE QD 2 26 PHE QE 3.650 . 5.500 3.346 2.998 3.946 . 0 0 "[ . 1 . 2]" 1
253 1 17 PHE QE 1 26 PHE QE 2.915 . 4.030 3.038 2.473 3.465 . 0 0 "[ . 1 . 2]" 1
254 2 17 PHE QE 2 26 PHE QE 2.915 . 4.030 3.030 2.461 3.301 . 0 0 "[ . 1 . 2]" 1
255 1 26 PHE QE 2 17 PHE QE 3.025 . 4.250 2.701 2.144 3.361 . 0 0 "[ . 1 . 2]" 1
256 1 17 PHE QE 2 26 PHE QE 3.025 . 4.250 2.669 2.026 3.502 . 0 0 "[ . 1 . 2]" 1
257 1 17 PHE QE 1 26 PHE QD 3.650 . 5.500 4.763 4.470 5.088 . 0 0 "[ . 1 . 2]" 1
258 2 17 PHE QE 2 26 PHE QD 3.650 . 5.500 4.750 4.473 4.963 . 0 0 "[ . 1 . 2]" 1
259 1 17 PHE QE 2 26 PHE QD 3.650 . 5.500 4.607 4.018 5.308 . 0 0 "[ . 1 . 2]" 1
260 1 26 PHE QD 2 17 PHE QE 3.650 . 5.500 4.675 4.104 5.284 . 0 0 "[ . 1 . 2]" 1
261 1 2 PHE QD 1 26 PHE QD 3.255 . 4.710 3.455 3.082 3.701 . 0 0 "[ . 1 . 2]" 1
262 2 2 PHE QD 2 26 PHE QD 3.255 . 4.710 3.515 3.180 3.899 . 0 0 "[ . 1 . 2]" 1
263 1 2 PHE QD 1 26 PHE QE 3.650 . 5.500 3.391 3.027 3.729 . 0 0 "[ . 1 . 2]" 1
264 2 2 PHE QD 2 26 PHE QE 3.650 . 5.500 3.438 3.081 3.889 . 0 0 "[ . 1 . 2]" 1
265 1 15 ALA MB 1 17 PHE QD 2.935 . 4.070 3.515 3.222 3.784 . 0 0 "[ . 1 . 2]" 1
266 2 15 ALA MB 2 17 PHE QD 2.935 . 4.070 3.463 3.327 3.698 . 0 0 "[ . 1 . 2]" 1
267 1 15 ALA MB 2 17 PHE QD 3.115 . 4.430 2.809 2.519 3.245 . 0 0 "[ . 1 . 2]" 1
268 1 17 PHE QD 2 15 ALA MB 3.115 . 4.430 2.937 2.427 3.716 . 0 0 "[ . 1 . 2]" 1
269 1 15 ALA MB 1 26 PHE QD 3.550 . 5.300 3.796 3.148 4.177 . 0 0 "[ . 1 . 2]" 1
270 2 15 ALA MB 2 26 PHE QD 3.550 . 5.300 3.823 3.365 4.156 . 0 0 "[ . 1 . 2]" 1
271 1 15 ALA MB 1 17 PHE QE 2.560 . 3.320 2.348 2.144 2.728 . 0 0 "[ . 1 . 2]" 1
272 2 15 ALA MB 2 17 PHE QE 2.560 . 3.320 2.251 1.980 2.491 . 0 0 "[ . 1 . 2]" 1
273 1 15 ALA MB 1 26 PHE QE 2.645 . 3.490 2.204 1.895 2.422 . 0 0 "[ . 1 . 2]" 1
274 2 15 ALA MB 2 26 PHE QE 2.645 . 3.490 2.265 1.929 2.774 . 0 0 "[ . 1 . 2]" 1
275 1 2 PHE QD 2 17 PHE QE 2.920 . 4.040 3.560 3.235 4.007 . 0 0 "[ . 1 . 2]" 1
276 1 17 PHE QE 2 2 PHE QD 2.920 . 4.040 3.487 3.111 3.890 . 0 0 "[ . 1 . 2]" 1
277 1 2 PHE HA 1 2 PHE QD 2.555 . 3.310 2.512 2.359 2.754 . 0 0 "[ . 1 . 2]" 1
278 2 2 PHE HA 2 2 PHE QD 2.555 . 3.310 2.557 2.410 2.753 . 0 0 "[ . 1 . 2]" 1
279 1 15 ALA H 1 16 ASP H 3.650 . 5.500 4.319 4.159 4.435 . 0 0 "[ . 1 . 2]" 1
280 2 15 ALA H 2 16 ASP H 3.650 . 5.500 4.338 4.250 4.429 . 0 0 "[ . 1 . 2]" 1
281 1 17 PHE H 1 24 GLN H 3.650 . 5.500 3.699 3.417 4.129 . 0 0 "[ . 1 . 2]" 1
282 2 17 PHE H 2 24 GLN H 3.650 . 5.500 3.705 3.388 4.044 . 0 0 "[ . 1 . 2]" 1
283 1 2 PHE QD 1 3 CYS H 3.045 . 4.290 3.132 2.906 3.329 . 0 0 "[ . 1 . 2]" 1
284 2 2 PHE QD 2 3 CYS H 3.045 . 4.290 3.164 2.783 3.538 . 0 0 "[ . 1 . 2]" 1
285 1 26 PHE QD 2 4 TRP HH2 3.385 . 4.970 3.217 2.712 3.856 . 0 0 "[ . 1 . 2]" 1
286 1 4 TRP HH2 2 26 PHE QD 3.385 . 4.970 3.411 2.777 4.459 . 0 0 "[ . 1 . 2]" 1
287 1 15 ALA MB 1 24 GLN H 3.550 . 5.300 4.037 3.731 4.319 . 0 0 "[ . 1 . 2]" 1
288 2 15 ALA MB 2 24 GLN H 3.550 . 5.300 3.999 3.749 4.445 . 0 0 "[ . 1 . 2]" 1
289 1 15 ALA MB 1 26 PHE H 3.650 . 5.500 5.349 4.868 5.533 0.033 6 0 "[ . 1 . 2]" 1
290 2 15 ALA MB 2 26 PHE H 3.650 . 5.500 5.319 4.885 5.546 0.046 5 0 "[ . 1 . 2]" 1
291 1 15 ALA MB 1 17 PHE H 3.650 . 5.500 4.739 4.457 5.246 . 0 0 "[ . 1 . 2]" 1
292 2 15 ALA MB 2 17 PHE H 3.650 . 5.500 4.721 4.430 5.157 . 0 0 "[ . 1 . 2]" 1
293 1 17 PHE QD 1 21 LEU MD2 3.305 . 4.810 3.747 2.556 4.684 . 0 0 "[ . 1 . 2]" 1
294 2 17 PHE QD 2 21 LEU MD2 3.305 . 4.810 3.866 2.492 4.803 . 0 0 "[ . 1 . 2]" 1
295 1 21 LEU MD2 2 4 TRP HD1 3.590 . 5.380 3.954 2.767 5.417 0.037 5 0 "[ . 1 . 2]" 1
296 1 4 TRP HD1 2 21 LEU MD2 3.590 . 5.380 4.228 2.962 5.439 0.059 5 0 "[ . 1 . 2]" 1
297 1 21 LEU MD2 2 2 PHE QD 3.205 . 4.610 3.145 1.932 3.921 . 0 0 "[ . 1 . 2]" 1
298 1 2 PHE QD 2 21 LEU MD2 3.205 . 4.610 2.780 1.998 3.718 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU MD1 2 2 PHE QD 3.205 . 4.610 3.169 1.943 4.526 . 0 0 "[ . 1 . 2]" 1
300 1 2 PHE QD 2 21 LEU MD1 3.205 . 4.610 3.044 1.904 4.363 . 0 0 "[ . 1 . 2]" 1
301 1 8 CYS HA 1 9 VAL MG1 3.280 . 4.760 3.866 3.685 4.152 . 0 0 "[ . 1 . 2]" 1
302 2 8 CYS HA 2 9 VAL MG1 3.280 . 4.760 3.867 3.733 3.981 . 0 0 "[ . 1 . 2]" 1
303 1 8 CYS HA 1 9 VAL MG2 3.280 . 4.760 3.716 3.489 4.938 0.178 12 0 "[ . 1 . 2]" 1
304 2 8 CYS HA 2 9 VAL MG2 3.280 . 4.760 3.681 3.553 3.816 . 0 0 "[ . 1 . 2]" 1
305 1 14 CYS HA 1 15 ALA MB 3.650 . 5.500 3.862 3.780 3.932 . 0 0 "[ . 1 . 2]" 1
306 2 14 CYS HA 2 15 ALA MB 3.650 . 5.500 3.867 3.789 3.937 . 0 0 "[ . 1 . 2]" 1
307 1 13 THR MG 1 14 CYS HA 3.650 . 5.500 3.762 3.616 3.941 . 0 0 "[ . 1 . 2]" 1
308 2 13 THR MG 2 14 CYS HA 3.650 . 5.500 3.830 3.620 5.140 . 0 0 "[ . 1 . 2]" 1
309 1 13 THR MG 1 26 PHE QE 3.290 . 4.780 3.719 2.794 4.721 . 0 0 "[ . 1 . 2]" 1
310 2 13 THR MG 2 26 PHE QE 3.290 . 4.780 3.670 2.724 4.791 0.011 20 0 "[ . 1 . 2]" 1
311 1 21 LEU MD2 2 4 TRP H 3.085 . 4.370 2.871 2.090 3.702 . 0 0 "[ . 1 . 2]" 1
312 1 4 TRP H 2 21 LEU MD2 3.085 . 4.370 2.831 2.284 3.779 . 0 0 "[ . 1 . 2]" 1
313 1 21 LEU MD1 2 4 TRP H 3.085 . 4.370 3.224 2.465 3.972 . 0 0 "[ . 1 . 2]" 1
314 1 4 TRP H 2 21 LEU MD1 3.085 . 4.370 3.494 2.386 4.371 0.001 18 0 "[ . 1 . 2]" 1
315 1 19 TRP HE1 1 20 PRO HA 3.075 . 4.350 3.916 3.612 4.364 0.014 17 0 "[ . 1 . 2]" 1
316 2 19 TRP HE1 2 20 PRO HA 3.075 . 4.350 3.824 3.531 4.337 . 0 0 "[ . 1 . 2]" 1
317 1 26 PHE QD 2 4 TRP HE1 3.645 . 5.490 3.910 2.990 4.853 . 0 0 "[ . 1 . 2]" 1
318 1 4 TRP HE1 2 26 PHE QD 3.645 . 5.490 3.661 2.781 4.423 . 0 0 "[ . 1 . 2]" 1
319 1 15 ALA H 1 26 PHE QE 3.235 . 4.670 3.755 3.361 4.160 . 0 0 "[ . 1 . 2]" 1
320 2 15 ALA H 2 26 PHE QE 3.235 . 4.670 3.853 3.331 4.437 . 0 0 "[ . 1 . 2]" 1
321 1 15 ALA H 1 17 PHE QE 3.650 . 5.500 3.880 3.359 4.475 . 0 0 "[ . 1 . 2]" 1
322 2 15 ALA H 2 17 PHE QE 3.650 . 5.500 3.801 3.323 4.234 . 0 0 "[ . 1 . 2]" 1
323 1 15 ALA H 1 26 PHE QD 3.650 . 5.500 4.406 4.069 4.929 . 0 0 "[ . 1 . 2]" 1
324 2 15 ALA H 2 26 PHE QD 3.650 . 5.500 4.471 3.866 4.881 . 0 0 "[ . 1 . 2]" 1
325 1 21 LEU MD1 2 7 SER H 3.650 . 5.500 4.417 3.242 5.590 0.090 16 0 "[ . 1 . 2]" 1
326 1 7 SER H 2 21 LEU MD1 3.650 . 5.500 4.646 3.352 5.589 0.089 12 0 "[ . 1 . 2]" 1
327 1 19 TRP HD1 1 20 PRO HB3 3.650 . 5.500 4.552 4.276 4.730 . 0 0 "[ . 1 . 2]" 1
328 2 19 TRP HD1 2 20 PRO HB3 3.650 . 5.500 4.591 4.374 4.792 . 0 0 "[ . 1 . 2]" 1
329 1 17 PHE QD 1 21 LEU MD1 3.305 . 4.810 3.551 2.389 4.457 . 0 0 "[ . 1 . 2]" 1
330 2 17 PHE QD 2 21 LEU MD1 3.305 . 4.810 3.263 2.305 4.678 . 0 0 "[ . 1 . 2]" 1
331 1 21 LEU MD1 2 4 TRP HD1 3.590 . 5.380 4.000 2.098 5.423 0.043 14 0 "[ . 1 . 2]" 1
332 1 4 TRP HD1 2 21 LEU MD1 3.590 . 5.380 4.124 2.214 5.395 0.015 1 0 "[ . 1 . 2]" 1
333 1 19 TRP HA 1 22 GLY H 2.815 . 3.830 3.174 2.954 3.382 . 0 0 "[ . 1 . 2]" 1
334 2 19 TRP HA 2 22 GLY H 2.815 . 3.830 3.039 2.590 3.448 . 0 0 "[ . 1 . 2]" 1
335 1 15 ALA HA 1 17 PHE QD 3.650 . 5.500 5.451 5.113 5.541 0.041 6 0 "[ . 1 . 2]" 1
336 2 15 ALA HA 2 17 PHE QD 3.650 . 5.500 5.415 5.223 5.536 0.036 17 0 "[ . 1 . 2]" 1
337 1 13 THR HB 1 26 PHE QD 3.045 . 4.290 2.838 2.051 3.535 . 0 0 "[ . 1 . 2]" 1
338 2 13 THR HB 2 26 PHE QD 3.045 . 4.290 2.733 2.066 3.546 . 0 0 "[ . 1 . 2]" 1
339 1 26 PHE QD 1 27 PRO HD2 3.525 . 5.250 4.054 3.611 4.501 . 0 0 "[ . 1 . 2]" 1
340 2 26 PHE QD 2 27 PRO HD2 3.525 . 5.250 4.213 3.722 4.655 . 0 0 "[ . 1 . 2]" 1
341 1 26 PHE QD 1 27 PRO HD3 3.525 . 5.250 4.500 4.174 4.928 . 0 0 "[ . 1 . 2]" 1
342 2 26 PHE QD 2 27 PRO HD3 3.525 . 5.250 4.521 4.200 4.891 . 0 0 "[ . 1 . 2]" 1
343 1 2 PHE HA 1 2 PHE QE 3.385 . 4.970 4.552 4.482 4.662 . 0 0 "[ . 1 . 2]" 1
344 2 2 PHE HA 2 2 PHE QE 3.385 . 4.970 4.572 4.468 4.632 . 0 0 "[ . 1 . 2]" 1
345 1 2 PHE QE 1 4 TRP HA 3.640 . 5.480 4.819 4.647 5.031 . 0 0 "[ . 1 . 2]" 1
346 2 2 PHE QE 2 4 TRP HA 3.640 . 5.480 4.737 4.580 4.905 . 0 0 "[ . 1 . 2]" 1
347 1 4 TRP HA 1 4 TRP HD1 3.335 . 4.870 4.196 4.013 4.497 . 0 0 "[ . 1 . 2]" 1
348 2 4 TRP HA 2 4 TRP HD1 3.335 . 4.870 4.231 4.073 4.459 . 0 0 "[ . 1 . 2]" 1
349 1 26 PHE HA 1 28 ASP H 3.475 . 5.150 3.633 3.196 3.985 . 0 0 "[ . 1 . 2]" 1
350 2 26 PHE HA 2 28 ASP H 3.475 . 5.150 3.575 3.337 3.844 . 0 0 "[ . 1 . 2]" 1
351 1 15 ALA H 1 25 CYS HA 2.895 . 3.990 3.111 2.646 3.542 . 0 0 "[ . 1 . 2]" 1
352 2 15 ALA H 2 25 CYS HA 2.895 . 3.990 3.021 2.449 3.531 . 0 0 "[ . 1 . 2]" 1
353 1 14 CYS H 1 25 CYS HA 3.650 . 5.500 4.532 4.313 4.698 . 0 0 "[ . 1 . 2]" 1
354 2 14 CYS H 2 25 CYS HA 3.650 . 5.500 4.561 4.264 4.707 . 0 0 "[ . 1 . 2]" 1
355 1 15 ALA H 1 23 HIS HA 3.650 . 5.500 4.657 4.026 4.949 . 0 0 "[ . 1 . 2]" 1
356 2 15 ALA H 2 23 HIS HA 3.650 . 5.500 4.711 4.053 5.345 . 0 0 "[ . 1 . 2]" 1
357 1 19 TRP H 1 21 LEU H 3.650 . 5.500 4.510 4.259 4.695 . 0 0 "[ . 1 . 2]" 1
358 2 19 TRP H 2 21 LEU H 3.650 . 5.500 4.526 4.389 4.738 . 0 0 "[ . 1 . 2]" 1
359 1 19 TRP HA 1 21 LEU H 2.775 . 3.750 2.686 2.313 2.936 . 0 0 "[ . 1 . 2]" 1
360 2 19 TRP HA 2 21 LEU H 2.775 . 3.750 2.680 2.460 2.871 . 0 0 "[ . 1 . 2]" 1
361 1 21 LEU HA 1 21 LEU HG 2.790 . 3.780 3.184 2.552 3.764 . 0 0 "[ . 1 . 2]" 1
362 2 21 LEU HA 2 21 LEU HG 2.790 . 3.780 3.263 2.492 3.793 0.013 16 0 "[ . 1 . 2]" 1
363 1 21 LEU HA 1 21 LEU MD1 3.065 . 4.330 2.921 1.943 3.865 . 0 0 "[ . 1 . 2]" 1
364 2 21 LEU HA 2 21 LEU MD1 3.065 . 4.330 2.886 1.961 3.876 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU HA 1 21 LEU MD2 3.065 . 4.330 2.793 1.947 3.821 . 0 0 "[ . 1 . 2]" 1
366 2 21 LEU HA 2 21 LEU MD2 3.065 . 4.330 2.704 1.983 3.840 . 0 0 "[ . 1 . 2]" 1
367 1 2 PHE QD 1 4 TRP HB3 3.330 . 4.860 4.176 3.699 4.573 . 0 0 "[ . 1 . 2]" 1
368 2 2 PHE QD 2 4 TRP HB3 3.330 . 4.860 4.134 3.688 4.468 . 0 0 "[ . 1 . 2]" 1
369 1 2 PHE QD 1 3 CYS HA 3.650 . 5.500 4.344 3.815 4.647 . 0 0 "[ . 1 . 2]" 1
370 2 2 PHE QD 2 3 CYS HA 3.650 . 5.500 4.268 3.817 4.711 . 0 0 "[ . 1 . 2]" 1
371 1 16 ASP H 1 17 PHE H 3.650 . 5.500 4.335 4.206 4.494 . 0 0 "[ . 1 . 2]" 1
372 2 16 ASP H 2 17 PHE H 3.650 . 5.500 4.341 4.196 4.514 . 0 0 "[ . 1 . 2]" 1
373 1 2 PHE QE 1 26 PHE QE 3.185 . 4.570 3.936 3.579 4.383 . 0 0 "[ . 1 . 2]" 1
374 2 2 PHE QE 2 26 PHE QE 3.185 . 4.570 4.059 3.737 4.569 . 0 0 "[ . 1 . 2]" 1
375 1 26 PHE QE 2 2 PHE QE 3.480 . 5.160 3.744 3.076 4.185 . 0 0 "[ . 1 . 2]" 1
376 1 2 PHE QE 2 26 PHE QE 3.480 . 5.160 3.865 3.271 4.344 . 0 0 "[ . 1 . 2]" 1
377 1 21 LEU MD2 2 2 PHE QE 3.550 . 5.300 3.348 2.060 4.622 . 0 0 "[ . 1 . 2]" 1
378 1 2 PHE QE 2 21 LEU MD2 3.550 . 5.300 3.139 2.280 4.281 . 0 0 "[ . 1 . 2]" 1
379 1 21 LEU MD1 2 2 PHE QE 3.550 . 5.300 3.436 2.700 4.750 . 0 0 "[ . 1 . 2]" 1
380 1 2 PHE QE 2 21 LEU MD1 3.550 . 5.300 3.153 2.288 4.921 . 0 0 "[ . 1 . 2]" 1
381 1 2 PHE QE 1 4 TRP HB3 3.135 . 4.470 2.971 2.738 3.405 . 0 0 "[ . 1 . 2]" 1
382 2 2 PHE QE 2 4 TRP HB3 3.135 . 4.470 2.969 2.728 3.223 . 0 0 "[ . 1 . 2]" 1
383 1 13 THR HB 1 26 PHE QE 3.650 . 5.500 4.743 3.767 5.509 0.009 13 0 "[ . 1 . 2]" 1
384 2 13 THR HB 2 26 PHE QE 3.650 . 5.500 4.609 3.552 5.453 . 0 0 "[ . 1 . 2]" 1
385 1 2 PHE QE 1 4 TRP H 3.515 . 5.230 4.818 4.546 5.109 . 0 0 "[ . 1 . 2]" 1
386 2 2 PHE QE 2 4 TRP H 3.515 . 5.230 4.765 4.376 5.196 . 0 0 "[ . 1 . 2]" 1
387 1 4 TRP H 1 4 TRP HB2 2.870 . 3.940 3.273 3.168 3.379 . 0 0 "[ . 1 . 2]" 1
388 2 4 TRP H 2 4 TRP HB2 2.870 . 3.940 3.255 3.038 3.396 . 0 0 "[ . 1 . 2]" 1
389 1 4 TRP HB2 1 4 TRP HE3 2.995 . 4.190 2.583 2.467 2.789 . 0 0 "[ . 1 . 2]" 1
390 2 4 TRP HB2 2 4 TRP HE3 2.995 . 4.190 2.585 2.483 2.732 . 0 0 "[ . 1 . 2]" 1
391 1 3 CYS H 1 4 TRP HB3 3.650 . 5.500 5.507 5.375 5.560 0.060 11 0 "[ . 1 . 2]" 1
392 2 3 CYS H 2 4 TRP HB3 3.650 . 5.500 5.506 5.376 5.552 0.052 13 0 "[ . 1 . 2]" 1
393 1 3 CYS H 1 4 TRP HB2 3.650 . 5.500 4.410 4.280 4.652 . 0 0 "[ . 1 . 2]" 1
394 2 3 CYS H 2 4 TRP HB2 3.650 . 5.500 4.439 4.201 4.729 . 0 0 "[ . 1 . 2]" 1
395 1 2 PHE QE 1 4 TRP HB2 3.135 . 4.470 2.634 2.282 3.026 . 0 0 "[ . 1 . 2]" 1
396 2 2 PHE QE 2 4 TRP HB2 3.135 . 4.470 2.502 2.192 2.765 . 0 0 "[ . 1 . 2]" 1
397 1 2 PHE QD 1 4 TRP HB2 3.330 . 4.860 3.886 3.343 4.240 . 0 0 "[ . 1 . 2]" 1
398 2 2 PHE QD 2 4 TRP HB2 3.330 . 4.860 3.820 3.520 4.144 . 0 0 "[ . 1 . 2]" 1
399 1 4 TRP HB3 1 5 HIS H 3.650 . 5.500 4.046 3.846 4.353 . 0 0 "[ . 1 . 2]" 1
400 2 4 TRP HB3 2 5 HIS H 3.650 . 5.500 4.079 3.914 4.298 . 0 0 "[ . 1 . 2]" 1
401 1 11 SER HB2 1 12 GLY H 3.080 . 4.360 3.953 3.132 4.233 . 0 0 "[ . 1 . 2]" 1
402 2 11 SER HB2 2 12 GLY H 3.080 . 4.360 4.029 3.183 4.276 . 0 0 "[ . 1 . 2]" 1
403 1 11 SER H 1 11 SER HB2 2.755 . 3.710 2.692 2.412 3.501 . 0 0 "[ . 1 . 2]" 1
404 2 11 SER H 2 11 SER HB2 2.755 . 3.710 2.653 2.442 3.462 . 0 0 "[ . 1 . 2]" 1
405 1 19 TRP HE3 1 20 PRO HB3 3.650 . 5.500 4.056 3.737 4.278 . 0 0 "[ . 1 . 2]" 1
406 2 19 TRP HE3 2 20 PRO HB3 3.650 . 5.500 4.024 3.801 4.245 . 0 0 "[ . 1 . 2]" 1
407 1 24 GLN H 1 24 GLN HB2 2.900 . 4.000 2.556 2.269 2.673 . 0 0 "[ . 1 . 2]" 1
408 2 24 GLN H 2 24 GLN HB2 2.900 . 4.000 2.601 2.472 2.817 . 0 0 "[ . 1 . 2]" 1
409 1 6 HIS HA 1 6 HIS HD2 3.510 . 5.220 3.954 3.182 4.347 . 0 0 "[ . 1 . 2]" 1
410 2 6 HIS HA 2 6 HIS HD2 3.510 . 5.220 3.980 3.430 4.302 . 0 0 "[ . 1 . 2]" 1
411 1 5 HIS HA 1 6 HIS HD2 3.385 . 4.970 3.152 2.806 3.357 . 0 0 "[ . 1 . 2]" 1
412 2 5 HIS HA 2 6 HIS HD2 3.385 . 4.970 3.094 2.612 3.378 . 0 0 "[ . 1 . 2]" 1
413 1 15 ALA MB 1 17 PHE HZ 3.075 . 4.350 3.238 2.787 3.992 . 0 0 "[ . 1 . 2]" 1
414 2 15 ALA MB 2 17 PHE HZ 3.075 . 4.350 3.176 2.901 3.564 . 0 0 "[ . 1 . 2]" 1
415 1 15 ALA MB 2 17 PHE HZ 3.330 . 4.860 4.208 3.586 4.892 0.032 8 0 "[ . 1 . 2]" 1
416 1 17 PHE HZ 2 15 ALA MB 3.330 . 4.860 4.333 3.656 4.881 0.021 7 0 "[ . 1 . 2]" 1
417 1 15 ALA MB 1 26 PHE HZ 2.945 . 4.090 3.126 2.279 3.878 . 0 0 "[ . 1 . 2]" 1
418 2 15 ALA MB 2 26 PHE HZ 2.945 . 4.090 3.135 2.168 4.092 0.002 5 0 "[ . 1 . 2]" 1
419 1 17 PHE HZ 1 26 PHE QE 3.235 . 4.670 3.216 2.332 3.772 . 0 0 "[ . 1 . 2]" 1
420 2 17 PHE HZ 2 26 PHE QE 3.235 . 4.670 3.118 2.269 3.572 . 0 0 "[ . 1 . 2]" 1
421 1 26 PHE QE 2 17 PHE HZ 3.540 . 5.280 4.694 4.164 5.284 0.004 5 0 "[ . 1 . 2]" 1
422 1 17 PHE HZ 2 26 PHE QE 3.540 . 5.280 4.604 4.140 5.290 0.010 8 0 "[ . 1 . 2]" 1
423 1 17 PHE QE 2 2 PHE QE 2.675 . 3.550 3.374 2.792 3.574 0.024 11 0 "[ . 1 . 2]" 1
424 1 2 PHE QE 2 17 PHE QE 2.675 . 3.550 3.334 2.844 3.563 0.013 2 0 "[ . 1 . 2]" 1
425 1 2 PHE QE 1 26 PHE HZ 3.465 . 5.130 4.436 4.086 4.757 . 0 0 "[ . 1 . 2]" 1
426 2 2 PHE QE 2 26 PHE HZ 3.465 . 5.130 4.578 4.253 5.084 . 0 0 "[ . 1 . 2]" 1
427 1 26 PHE HZ 2 2 PHE QE 3.650 . 5.500 3.932 2.818 5.423 . 0 0 "[ . 1 . 2]" 1
428 1 2 PHE QE 2 26 PHE HZ 3.650 . 5.500 4.030 3.083 5.039 . 0 0 "[ . 1 . 2]" 1
429 1 17 PHE QE 1 26 PHE HZ 2.935 . 4.070 2.361 2.037 2.692 . 0 0 "[ . 1 . 2]" 1
430 2 17 PHE QE 2 26 PHE HZ 2.935 . 4.070 2.446 2.098 3.019 . 0 0 "[ . 1 . 2]" 1
431 1 17 PHE HZ 1 26 PHE HZ 3.050 . 4.300 2.104 1.923 2.465 . 0 0 "[ . 1 . 2]" 1
432 2 17 PHE HZ 2 26 PHE HZ 3.050 . 4.300 2.149 1.931 2.567 . 0 0 "[ . 1 . 2]" 1
433 1 21 LEU HB3 1 21 LEU MD2 2.745 . 3.690 2.510 2.223 3.210 . 0 0 "[ . 1 . 2]" 1
434 2 21 LEU HB3 2 21 LEU MD2 2.745 . 3.690 2.637 2.245 3.199 . 0 0 "[ . 1 . 2]" 1
435 1 21 LEU HB2 1 21 LEU MD2 2.745 . 3.690 2.703 2.267 3.180 . 0 0 "[ . 1 . 2]" 1
436 2 21 LEU HB2 2 21 LEU MD2 2.745 . 3.690 2.627 2.270 3.184 . 0 0 "[ . 1 . 2]" 1
437 1 21 LEU HB2 1 21 LEU MD1 2.745 . 3.690 2.518 2.255 3.201 . 0 0 "[ . 1 . 2]" 1
438 2 21 LEU HB2 2 21 LEU MD1 2.745 . 3.690 2.651 2.255 3.232 . 0 0 "[ . 1 . 2]" 1
439 1 21 LEU HB3 1 21 LEU MD1 2.745 . 3.690 2.667 2.320 3.198 . 0 0 "[ . 1 . 2]" 1
440 2 21 LEU HB3 2 21 LEU MD1 2.745 . 3.690 2.653 2.276 3.200 . 0 0 "[ . 1 . 2]" 1
441 1 9 VAL MG1 2 21 LEU MD2 3.585 . 5.370 2.776 1.836 3.768 . 0 0 "[ . 1 . 2]" 1
442 1 21 LEU MD2 2 9 VAL MG1 3.585 . 5.370 2.858 1.824 3.834 . 0 0 "[ . 1 . 2]" 1
443 1 9 VAL MG2 2 21 LEU MD2 3.585 . 5.370 3.107 2.206 4.106 . 0 0 "[ . 1 . 2]" 1
444 1 21 LEU MD2 2 9 VAL MG2 3.585 . 5.370 3.439 2.423 4.368 . 0 0 "[ . 1 . 2]" 1
445 1 9 VAL MG1 2 21 LEU MD1 3.585 . 5.370 2.988 1.837 4.266 . 0 0 "[ . 1 . 2]" 1
446 1 21 LEU MD1 2 9 VAL MG1 3.585 . 5.370 2.910 1.844 4.329 . 0 0 "[ . 1 . 2]" 1
447 1 9 VAL MG2 2 21 LEU MD1 3.585 . 5.370 3.467 2.165 4.790 . 0 0 "[ . 1 . 2]" 1
448 1 21 LEU MD1 2 9 VAL MG2 3.585 . 5.370 3.442 2.158 5.158 . 0 0 "[ . 1 . 2]" 1
449 1 4 TRP HB2 2 21 LEU MD1 3.235 . 4.670 3.748 2.997 4.700 0.030 6 0 "[ . 1 . 2]" 1
450 1 21 LEU MD1 2 4 TRP HB2 3.235 . 4.670 3.751 3.126 4.722 0.052 14 0 "[ . 1 . 2]" 1
451 1 4 TRP HB3 2 21 LEU MD2 3.235 . 4.670 2.611 1.972 3.800 . 0 0 "[ . 1 . 2]" 1
452 1 21 LEU MD2 2 4 TRP HB3 3.235 . 4.670 2.569 1.885 3.848 . 0 0 "[ . 1 . 2]" 1
453 1 4 TRP HB2 2 21 LEU MD2 3.235 . 4.670 3.487 2.815 4.678 0.008 5 0 "[ . 1 . 2]" 1
454 1 21 LEU MD2 2 4 TRP HB2 3.235 . 4.670 3.595 2.788 4.684 0.014 5 0 "[ . 1 . 2]" 1
455 1 4 TRP HB3 2 21 LEU MD1 3.235 . 4.670 2.771 1.932 3.848 . 0 0 "[ . 1 . 2]" 1
456 1 21 LEU MD1 2 4 TRP HB3 3.235 . 4.670 2.715 1.843 3.908 . 0 0 "[ . 1 . 2]" 1
457 1 7 SER HB3 2 21 LEU MD1 3.395 . 4.990 3.869 2.263 5.021 0.031 7 0 "[ . 1 . 2]" 1
458 1 21 LEU MD1 2 7 SER HB3 3.395 . 4.990 3.758 2.081 4.979 . 0 0 "[ . 1 . 2]" 1
459 1 7 SER HB2 2 21 LEU MD1 3.395 . 4.990 3.230 1.888 4.594 . 0 0 "[ . 1 . 2]" 1
460 1 21 LEU MD1 2 7 SER HB2 3.395 . 4.990 3.113 1.859 4.682 . 0 0 "[ . 1 . 2]" 1
461 1 7 SER HB2 2 21 LEU MD2 3.395 . 4.990 2.731 1.850 4.328 . 0 0 "[ . 1 . 2]" 1
462 1 21 LEU MD2 2 7 SER HB2 3.395 . 4.990 2.747 1.834 4.270 . 0 0 "[ . 1 . 2]" 1
463 1 7 SER HB3 2 21 LEU MD2 3.395 . 4.990 3.382 2.260 4.941 . 0 0 "[ . 1 . 2]" 1
464 1 21 LEU MD2 2 7 SER HB3 3.395 . 4.990 3.394 2.336 4.801 . 0 0 "[ . 1 . 2]" 1
465 1 17 PHE HA 2 15 ALA MB 3.035 . 4.270 3.481 2.736 4.257 . 0 0 "[ . 1 . 2]" 1
466 1 15 ALA MB 2 17 PHE HA 3.035 . 4.270 3.463 2.668 4.154 . 0 0 "[ . 1 . 2]" 1
467 1 9 VAL MG1 1 13 THR MG 2.850 . 3.900 2.729 2.344 3.153 . 0 0 "[ . 1 . 2]" 1
468 2 9 VAL MG1 2 13 THR MG 2.850 . 3.900 2.786 2.265 3.217 . 0 0 "[ . 1 . 2]" 1
469 1 9 VAL MG2 1 13 THR MG 2.850 . 3.900 2.279 1.953 2.630 . 0 0 "[ . 1 . 2]" 1
470 2 9 VAL MG2 2 13 THR MG 2.850 . 3.900 2.370 2.078 2.702 . 0 0 "[ . 1 . 2]" 1
471 1 17 PHE HB2 1 21 LEU HB2 2.980 . 4.160 2.733 2.107 4.176 0.016 20 0 "[ . 1 . 2]" 1
472 2 17 PHE HB2 2 21 LEU HB2 2.980 . 4.160 2.968 2.195 4.173 0.013 20 0 "[ . 1 . 2]" 1
473 1 17 PHE HB2 1 21 LEU HB3 2.980 . 4.160 2.433 2.205 2.641 . 0 0 "[ . 1 . 2]" 1
474 2 17 PHE HB2 2 21 LEU HB3 2.980 . 4.160 2.405 2.055 2.760 . 0 0 "[ . 1 . 2]" 1
475 1 17 PHE HB3 1 21 LEU HB3 2.980 . 4.160 3.077 2.469 3.678 . 0 0 "[ . 1 . 2]" 1
476 2 17 PHE HB3 2 21 LEU HB3 2.980 . 4.160 2.849 1.998 3.391 . 0 0 "[ . 1 . 2]" 1
477 1 17 PHE HB3 1 21 LEU HB2 2.980 . 4.160 2.748 2.168 4.117 . 0 0 "[ . 1 . 2]" 1
478 2 17 PHE HB3 2 21 LEU HB2 2.980 . 4.160 2.770 2.157 4.164 0.004 11 0 "[ . 1 . 2]" 1
479 1 9 VAL HB 1 13 THR MG 2.870 . 3.940 2.603 2.219 3.943 0.003 12 0 "[ . 1 . 2]" 1
480 2 9 VAL HB 2 13 THR MG 2.870 . 3.940 2.462 1.952 2.944 . 0 0 "[ . 1 . 2]" 1
481 1 15 ALA MB 1 16 ASP HA 3.465 . 5.130 4.194 4.096 4.298 . 0 0 "[ . 1 . 2]" 1
482 2 15 ALA MB 2 16 ASP HA 3.465 . 5.130 4.206 4.110 4.292 . 0 0 "[ . 1 . 2]" 1
483 1 8 CYS QB 1 9 VAL H 2.570 . 3.340 2.880 2.468 3.273 . 0 0 "[ . 1 . 2]" 1
484 2 8 CYS QB 2 9 VAL H 2.570 . 3.340 2.986 2.666 3.403 0.063 18 0 "[ . 1 . 2]" 1
485 1 17 PHE HA 2 13 THR MG 3.650 . 5.500 4.781 4.051 5.436 . 0 0 "[ . 1 . 2]" 1
486 1 13 THR MG 2 17 PHE HA 3.650 . 5.500 4.788 3.759 5.527 0.027 8 0 "[ . 1 . 2]" 1
487 1 9 VAL HA 1 13 THR MG 3.650 . 5.500 4.759 4.405 5.172 . 0 0 "[ . 1 . 2]" 1
488 2 9 VAL HA 2 13 THR MG 3.650 . 5.500 4.678 4.063 5.155 . 0 0 "[ . 1 . 2]" 1
489 1 13 THR HA 1 13 THR MG 2.490 . 3.180 2.377 2.317 2.430 . 0 0 "[ . 1 . 2]" 1
490 2 13 THR HA 2 13 THR MG 2.490 . 3.180 2.381 2.160 2.440 . 0 0 "[ . 1 . 2]" 1
491 1 13 THR HB 1 26 PHE HB2 2.660 . 3.520 3.182 2.750 3.533 0.013 16 0 "[ . 1 . 2]" 1
492 2 13 THR HB 2 26 PHE HB2 2.660 . 3.520 3.154 2.896 3.577 0.057 20 0 "[ . 1 . 2]" 1
493 1 18 PRO HB3 1 19 TRP H 2.950 . 4.100 2.991 2.780 3.581 . 0 0 "[ . 1 . 2]" 1
494 2 18 PRO HB3 2 19 TRP H 2.950 . 4.100 3.024 2.772 3.549 . 0 0 "[ . 1 . 2]" 1
495 1 10 PRO HB3 1 11 SER H 2.840 . 3.880 3.338 2.933 3.573 . 0 0 "[ . 1 . 2]" 1
496 2 10 PRO HB3 2 11 SER H 2.840 . 3.880 3.311 2.855 3.544 . 0 0 "[ . 1 . 2]" 1
497 1 8 CYS H 1 8 CYS QB 2.620 . 3.440 2.593 2.479 2.685 . 0 0 "[ . 1 . 2]" 1
498 2 8 CYS H 2 8 CYS QB 2.620 . 3.440 2.581 2.535 2.676 . 0 0 "[ . 1 . 2]" 1
499 1 2 PHE H 1 8 CYS QB 3.635 . 5.470 4.038 3.678 4.509 . 0 0 "[ . 1 . 2]" 1
500 2 2 PHE H 2 8 CYS QB 3.635 . 5.470 4.132 3.748 5.317 . 0 0 "[ . 1 . 2]" 1
501 1 2 PHE H 1 26 PHE HB2 3.650 . 5.500 4.316 3.917 4.608 . 0 0 "[ . 1 . 2]" 1
502 2 2 PHE H 2 26 PHE HB2 3.650 . 5.500 4.257 3.526 4.565 . 0 0 "[ . 1 . 2]" 1
503 1 5 HIS HB3 1 7 SER H 3.650 . 5.500 3.889 3.311 4.920 . 0 0 "[ . 1 . 2]" 1
504 2 5 HIS HB3 2 7 SER H 3.650 . 5.500 3.931 3.211 4.846 . 0 0 "[ . 1 . 2]" 1
505 1 19 TRP HE3 1 20 PRO HA 3.075 . 4.350 3.800 2.864 4.146 . 0 0 "[ . 1 . 2]" 1
506 2 19 TRP HE3 2 20 PRO HA 3.075 . 4.350 3.851 2.824 4.173 . 0 0 "[ . 1 . 2]" 1
507 1 19 TRP HD1 1 20 PRO HA 2.670 . 3.540 3.227 2.915 3.726 0.186 6 0 "[ . 1 . 2]" 1
508 2 19 TRP HD1 2 20 PRO HA 2.670 . 3.540 3.156 2.843 3.705 0.165 11 0 "[ . 1 . 2]" 1
509 1 19 TRP HD1 1 20 PRO HB2 3.650 . 5.500 5.437 5.092 5.556 0.056 15 0 "[ . 1 . 2]" 1
510 2 19 TRP HD1 2 20 PRO HB2 3.650 . 5.500 5.387 5.078 5.575 0.075 12 0 "[ . 1 . 2]" 1
511 1 19 TRP HE3 1 20 PRO HB2 3.650 . 5.500 5.442 5.279 5.554 0.054 4 0 "[ . 1 . 2]" 1
512 2 19 TRP HE3 2 20 PRO HB2 3.650 . 5.500 5.457 5.258 5.536 0.036 16 0 "[ . 1 . 2]" 1
513 1 19 TRP HZ3 1 20 PRO HA 3.650 . 5.500 5.214 4.257 5.546 0.046 2 0 "[ . 1 . 2]" 1
514 2 19 TRP HZ3 2 20 PRO HA 3.650 . 5.500 5.250 4.244 5.552 0.052 7 0 "[ . 1 . 2]" 1
515 1 17 PHE QD 1 21 LEU HG 3.410 . 5.020 4.258 2.781 5.073 0.053 18 0 "[ . 1 . 2]" 1
516 2 17 PHE QD 2 21 LEU HG 3.410 . 5.020 4.138 2.817 5.072 0.052 4 0 "[ . 1 . 2]" 1
517 1 21 LEU HG 1 22 GLY H 3.375 . 4.950 4.372 3.741 4.949 . 0 0 "[ . 1 . 2]" 1
518 2 21 LEU HG 2 22 GLY H 3.375 . 4.950 4.442 3.699 4.965 0.015 6 0 "[ . 1 . 2]" 1
519 1 21 LEU MD2 2 7 SER H 3.650 . 5.500 4.140 3.241 5.504 0.004 6 0 "[ . 1 . 2]" 1
520 1 7 SER H 2 21 LEU MD2 3.650 . 5.500 4.131 3.254 5.554 0.054 2 0 "[ . 1 . 2]" 1
521 1 26 PHE HA 2 4 TRP HZ2 3.325 . 4.850 3.215 2.212 3.918 . 0 0 "[ . 1 . 2]" 1
522 1 4 TRP HZ2 2 26 PHE HA 3.325 . 4.850 3.286 2.057 4.528 . 0 0 "[ . 1 . 2]" 1
523 1 21 LEU HG 2 9 VAL MG1 3.520 . 5.240 3.205 1.983 4.456 . 0 0 "[ . 1 . 2]" 1
524 1 9 VAL MG1 2 21 LEU HG 3.520 . 5.240 3.269 1.940 4.435 . 0 0 "[ . 1 . 2]" 1
525 1 21 LEU HG 2 9 VAL MG2 3.520 . 5.240 4.377 3.441 5.262 0.022 19 0 "[ . 1 . 2]" 1
526 1 9 VAL MG2 2 21 LEU HG 3.520 . 5.240 4.015 2.633 5.249 0.009 20 0 "[ . 1 . 2]" 1
527 1 9 VAL MG1 2 17 PHE QD 3.485 . 5.170 4.067 3.341 4.429 . 0 0 "[ . 1 . 2]" 1
528 1 17 PHE QD 2 9 VAL MG1 3.485 . 5.170 3.879 3.378 4.179 . 0 0 "[ . 1 . 2]" 1
529 1 9 VAL MG2 2 17 PHE QD 3.485 . 5.170 3.793 2.980 4.670 . 0 0 "[ . 1 . 2]" 1
530 1 17 PHE QD 2 9 VAL MG2 3.485 . 5.170 3.609 3.219 4.080 . 0 0 "[ . 1 . 2]" 1
531 1 26 PHE QE 2 4 TRP HE1 3.650 . 5.500 4.146 3.498 4.721 . 0 0 "[ . 1 . 2]" 1
532 1 4 TRP HE1 2 26 PHE QE 3.650 . 5.500 3.940 2.905 4.698 . 0 0 "[ . 1 . 2]" 1
533 1 2 PHE QE 1 4 TRP HE3 2.695 . 3.590 3.416 3.026 3.617 0.027 1 0 "[ . 1 . 2]" 1
534 2 2 PHE QE 2 4 TRP HE3 2.695 . 3.590 3.441 3.227 3.599 0.009 19 0 "[ . 1 . 2]" 1
535 1 11 SER HA 1 28 ASP HA 3.550 . 5.300 4.196 3.515 4.770 . 0 0 "[ . 1 . 2]" 1
536 2 11 SER HA 2 28 ASP HA 3.550 . 5.300 4.089 3.496 4.628 . 0 0 "[ . 1 . 2]" 1
537 1 11 SER HA 1 27 PRO HA 2.995 . 4.190 4.029 3.527 4.268 0.078 15 0 "[ . 1 . 2]" 1
538 2 11 SER HA 2 27 PRO HA 2.995 . 4.190 4.046 3.566 4.256 0.066 15 0 "[ . 1 . 2]" 1
539 1 11 SER HA 1 26 PHE HB3 3.650 . 5.500 4.587 4.361 5.033 . 0 0 "[ . 1 . 2]" 1
540 2 11 SER HA 2 26 PHE HB3 3.650 . 5.500 4.587 4.346 4.970 . 0 0 "[ . 1 . 2]" 1
541 1 13 THR HB 1 26 PHE HB3 3.650 . 5.500 4.787 4.300 5.108 . 0 0 "[ . 1 . 2]" 1
542 2 13 THR HB 2 26 PHE HB3 3.650 . 5.500 4.752 4.436 5.175 . 0 0 "[ . 1 . 2]" 1
543 1 2 PHE QD 1 4 TRP HE3 3.650 . 5.500 5.026 4.647 5.320 . 0 0 "[ . 1 . 2]" 1
544 2 2 PHE QD 2 4 TRP HE3 3.650 . 5.500 5.046 4.717 5.281 . 0 0 "[ . 1 . 2]" 1
545 1 2 PHE QD 2 4 TRP HE3 3.650 . 5.500 4.553 3.912 5.123 . 0 0 "[ . 1 . 2]" 1
546 1 4 TRP HE3 2 2 PHE QD 3.650 . 5.500 4.420 3.603 4.954 . 0 0 "[ . 1 . 2]" 1
547 1 2 PHE QD 2 4 TRP HZ2 3.650 . 5.500 4.957 3.895 5.526 0.026 9 0 "[ . 1 . 2]" 1
548 1 4 TRP HZ2 2 2 PHE QD 3.650 . 5.500 4.655 3.668 5.500 . 0 0 "[ . 1 . 2]" 1
549 1 2 PHE H 1 2 PHE QD 3.545 . 5.290 4.432 4.368 4.498 . 0 0 "[ . 1 . 2]" 1
550 2 2 PHE H 2 2 PHE QD 3.545 . 5.290 4.415 4.333 4.477 . 0 0 "[ . 1 . 2]" 1
551 1 2 PHE QD 2 4 TRP HZ3 3.650 . 5.500 3.231 2.344 4.110 . 0 0 "[ . 1 . 2]" 1
552 1 4 TRP HZ3 2 2 PHE QD 3.650 . 5.500 3.080 2.258 3.590 . 0 0 "[ . 1 . 2]" 1
553 1 2 PHE HA 2 4 TRP HZ3 3.650 . 5.500 5.038 4.273 5.514 0.014 20 0 "[ . 1 . 2]" 1
554 1 4 TRP HZ3 2 2 PHE HA 3.650 . 5.500 4.966 3.762 5.524 0.024 15 0 "[ . 1 . 2]" 1
555 1 4 TRP HA 1 4 TRP HZ3 3.650 . 5.500 5.241 4.686 5.508 0.008 16 0 "[ . 1 . 2]" 1
556 2 4 TRP HA 2 4 TRP HZ3 3.650 . 5.500 5.240 4.825 5.504 0.004 1 0 "[ . 1 . 2]" 1
557 1 13 THR H 1 26 PHE HB3 3.650 . 5.500 5.301 4.906 5.512 0.012 10 0 "[ . 1 . 2]" 1
558 2 13 THR H 2 26 PHE HB3 3.650 . 5.500 5.187 4.842 5.492 . 0 0 "[ . 1 . 2]" 1
559 1 26 PHE HB3 2 4 TRP HZ2 3.650 . 5.500 4.128 3.257 4.881 . 0 0 "[ . 1 . 2]" 1
560 1 4 TRP HZ2 2 26 PHE HB3 3.650 . 5.500 4.036 2.922 4.864 . 0 0 "[ . 1 . 2]" 1
561 1 13 THR H 1 26 PHE HB2 3.440 . 5.080 3.776 3.435 3.979 . 0 0 "[ . 1 . 2]" 1
562 2 13 THR H 2 26 PHE HB2 3.440 . 5.080 3.664 3.321 3.967 . 0 0 "[ . 1 . 2]" 1
563 1 2 PHE HA 1 26 PHE HB3 3.495 . 5.190 3.950 3.634 4.211 . 0 0 "[ . 1 . 2]" 1
564 2 2 PHE HA 2 26 PHE HB3 3.495 . 5.190 4.023 3.727 4.282 . 0 0 "[ . 1 . 2]" 1
565 1 14 CYS HA 1 25 CYS HB2 3.455 . 5.110 4.140 3.147 4.783 . 0 0 "[ . 1 . 2]" 1
566 2 14 CYS HA 2 25 CYS HB2 3.455 . 5.110 3.917 2.913 4.801 . 0 0 "[ . 1 . 2]" 1
567 1 14 CYS HA 1 25 CYS HB3 3.455 . 5.110 3.990 3.536 4.314 . 0 0 "[ . 1 . 2]" 1
568 2 14 CYS HA 2 25 CYS HB3 3.455 . 5.110 3.956 3.443 4.220 . 0 0 "[ . 1 . 2]" 1
569 1 17 PHE HB3 1 21 LEU HG 3.360 . 4.920 3.922 3.137 4.865 . 0 0 "[ . 1 . 2]" 1
570 2 17 PHE HB3 2 21 LEU HG 3.360 . 4.920 3.693 2.527 4.906 . 0 0 "[ . 1 . 2]" 1
571 1 17 PHE HB2 1 21 LEU HG 3.360 . 4.920 3.872 2.522 4.837 . 0 0 "[ . 1 . 2]" 1
572 2 17 PHE HB2 2 21 LEU HG 3.360 . 4.920 3.885 2.540 4.796 . 0 0 "[ . 1 . 2]" 1
573 1 1 GLY QA 1 2 PHE H 2.330 . 2.860 2.284 2.251 2.314 . 0 0 "[ . 1 . 2]" 1
574 1 1 GLY QA 1 9 VAL QG 3.080 . 4.360 3.119 2.734 3.368 . 0 0 "[ . 1 . 2]" 1
575 1 1 GLY QA 1 11 SER H 3.305 . 4.810 3.444 3.283 3.645 . 0 0 "[ . 1 . 2]" 1
576 1 1 GLY QA 1 11 SER HA 3.000 . 4.200 2.399 2.204 2.600 . 0 0 "[ . 1 . 2]" 1
577 1 1 GLY QA 1 26 PHE HB2 3.290 . 4.780 2.923 2.558 3.191 . 0 0 "[ . 1 . 2]" 1
578 1 1 GLY QA 1 26 PHE HB3 3.180 . 4.560 3.090 2.826 3.417 . 0 0 "[ . 1 . 2]" 1
579 1 1 GLY QA 1 28 ASP H 3.570 . 5.340 4.110 3.955 4.248 . 0 0 "[ . 1 . 2]" 1
580 1 2 PHE H 1 2 PHE QB 2.645 . 3.490 2.728 2.592 2.819 . 0 0 "[ . 1 . 2]" 1
581 1 2 PHE H 1 9 VAL QG 2.595 . 3.390 2.385 2.094 2.552 . 0 0 "[ . 1 . 2]" 1
582 1 2 PHE H 2 21 LEU QD 3.620 . 5.440 4.637 4.278 5.182 . 0 0 "[ . 1 . 2]" 1
583 1 2 PHE HA 1 9 VAL QG 3.580 . 5.360 3.978 3.878 4.073 . 0 0 "[ . 1 . 2]" 1
584 1 2 PHE QB 1 9 VAL H 3.510 . 5.220 3.648 3.314 3.963 . 0 0 "[ . 1 . 2]" 1
585 1 2 PHE QB 1 9 VAL QG 2.480 . 3.160 2.038 1.891 2.210 . 0 0 "[ . 1 . 2]" 1
586 1 2 PHE QB 1 26 PHE HB3 3.115 . 4.430 2.715 2.312 3.130 . 0 0 "[ . 1 . 2]" 1
587 1 2 PHE QB 1 26 PHE QD 2.755 . 3.710 2.801 2.688 2.903 . 0 0 "[ . 1 . 2]" 1
588 1 2 PHE QD 1 4 TRP QB 3.040 . 4.280 3.569 3.109 3.840 . 0 0 "[ . 1 . 2]" 1
589 1 2 PHE QD 1 9 VAL QG 2.655 . 3.510 2.846 2.562 3.207 . 0 0 "[ . 1 . 2]" 1
590 1 2 PHE QD 2 21 LEU QD 2.590 . 3.380 2.207 1.894 2.881 . 0 0 "[ . 1 . 2]" 1
591 1 2 PHE QE 1 4 TRP QB 2.860 . 3.920 2.452 2.194 2.704 . 0 0 "[ . 1 . 2]" 1
592 1 2 PHE QE 1 9 VAL QG 3.530 . 5.260 4.549 4.253 4.912 . 0 0 "[ . 1 . 2]" 1
593 1 2 PHE QE 2 21 LEU QD 2.945 . 4.090 2.556 2.239 3.119 . 0 0 "[ . 1 . 2]" 1
594 1 3 CYS H 1 3 CYS QB 2.670 . 3.540 2.579 2.450 2.685 . 0 0 "[ . 1 . 2]" 1
595 1 3 CYS QB 1 4 TRP H 2.770 . 3.740 3.253 2.959 3.761 0.021 2 0 "[ . 1 . 2]" 1
596 1 3 CYS QB 1 7 SER H 3.570 . 5.340 4.632 4.141 5.350 0.010 19 0 "[ . 1 . 2]" 1
597 1 3 CYS QB 1 8 CYS HA 3.155 . 4.510 3.501 2.525 3.996 . 0 0 "[ . 1 . 2]" 1
598 1 4 TRP H 1 7 SER QB 3.480 . 5.160 3.515 3.300 3.799 . 0 0 "[ . 1 . 2]" 1
599 1 4 TRP H 2 21 LEU QD 2.820 . 3.840 2.553 2.270 2.969 . 0 0 "[ . 1 . 2]" 1
600 1 4 TRP QB 2 21 LEU QD 2.590 . 3.380 2.081 1.842 2.836 . 0 0 "[ . 1 . 2]" 1
601 1 4 TRP QB 2 26 PHE QE 3.570 . 5.340 4.070 3.567 4.836 . 0 0 "[ . 1 . 2]" 1
602 1 4 TRP HD1 1 5 HIS QB 3.010 . 4.220 2.704 2.058 3.849 . 0 0 "[ . 1 . 2]" 1
603 1 4 TRP HD1 2 21 LEU QD 3.210 . 4.620 3.320 2.210 4.621 0.001 12 0 "[ . 1 . 2]" 1
604 1 4 TRP HD1 2 24 GLN QB 3.570 . 5.340 3.086 2.050 4.697 . 0 0 "[ . 1 . 2]" 1
605 1 4 TRP HD1 2 24 GLN QG 2.685 . 3.570 2.861 2.023 3.649 0.079 5 0 "[ . 1 . 2]" 1
606 1 4 TRP HE1 2 24 GLN QB 3.570 . 5.340 3.336 2.392 4.795 . 0 0 "[ . 1 . 2]" 1
607 1 4 TRP HE1 2 24 GLN QG 3.570 . 5.340 4.413 3.351 5.256 . 0 0 "[ . 1 . 2]" 1
608 1 5 HIS QB 1 6 HIS H 3.075 . 4.350 3.839 3.736 4.028 . 0 0 "[ . 1 . 2]" 1
609 1 5 HIS QB 1 6 HIS HD2 3.425 . 5.050 4.574 3.094 5.062 0.012 16 0 "[ . 1 . 2]" 1
610 1 7 SER H 2 21 LEU QD 3.285 . 4.770 3.558 3.232 4.142 . 0 0 "[ . 1 . 2]" 1
611 1 7 SER QB 1 8 CYS H 2.675 . 3.550 3.177 2.864 3.413 . 0 0 "[ . 1 . 2]" 1
612 1 7 SER QB 2 21 LEU H 2.880 . 3.960 3.763 3.401 4.041 0.081 15 0 "[ . 1 . 2]" 1
613 1 7 SER QB 2 21 LEU QD 2.645 . 3.490 2.021 1.784 2.562 0.016 15 0 "[ . 1 . 2]" 1
614 1 8 CYS HA 1 9 VAL QG 2.885 . 3.970 3.353 3.248 3.652 . 0 0 "[ . 1 . 2]" 1
615 1 8 CYS HA 2 21 LEU QD 3.370 . 4.940 3.022 2.421 3.734 . 0 0 "[ . 1 . 2]" 1
616 1 8 CYS QB 1 9 VAL QG 3.620 . 5.440 4.017 3.828 4.163 . 0 0 "[ . 1 . 2]" 1
617 1 9 VAL H 1 9 VAL QG 2.475 . 3.150 2.046 1.910 2.395 . 0 0 "[ . 1 . 2]" 1
618 1 9 VAL H 2 21 LEU QD 3.275 . 4.750 3.181 2.841 3.776 . 0 0 "[ . 1 . 2]" 1
619 1 9 VAL HA 1 10 PRO QG 3.165 . 4.530 3.929 3.678 4.119 . 0 0 "[ . 1 . 2]" 1
620 1 9 VAL HA 1 10 PRO QD 2.220 . 2.640 2.053 1.901 2.202 . 0 0 "[ . 1 . 2]" 1
621 1 9 VAL HA 2 20 PRO QD 3.020 . 4.240 3.251 2.722 4.104 . 0 0 "[ . 1 . 2]" 1
622 1 9 VAL HB 1 10 PRO QD 2.630 . 3.460 2.303 2.044 3.599 0.139 12 0 "[ . 1 . 2]" 1
623 1 9 VAL QG 1 10 PRO HA 3.620 . 5.440 4.487 4.100 4.590 . 0 0 "[ . 1 . 2]" 1
624 1 9 VAL QG 1 10 PRO QD 2.695 . 3.590 2.788 1.825 2.963 . 0 0 "[ . 1 . 2]" 1
625 1 9 VAL QG 1 13 THR HB 2.825 . 3.850 2.558 2.404 2.723 . 0 0 "[ . 1 . 2]" 1
626 1 9 VAL QG 1 13 THR MG 2.585 . 3.370 2.152 1.881 2.424 . 0 0 "[ . 1 . 2]" 1
627 1 9 VAL QG 1 26 PHE HB2 3.620 . 5.440 3.631 3.307 3.931 . 0 0 "[ . 1 . 2]" 1
628 1 9 VAL QG 1 26 PHE QD 3.085 . 4.370 3.272 2.504 3.717 . 0 0 "[ . 1 . 2]" 1
629 1 9 VAL QG 1 26 PHE QE 3.540 . 5.280 3.915 2.971 4.506 . 0 0 "[ . 1 . 2]" 1
630 1 9 VAL QG 2 17 PHE HA 3.620 . 5.440 4.730 3.932 5.230 . 0 0 "[ . 1 . 2]" 1
631 1 9 VAL QG 2 17 PHE QB 2.980 . 4.160 3.194 2.316 3.729 . 0 0 "[ . 1 . 2]" 1
632 1 9 VAL QG 2 17 PHE QD 3.135 . 4.470 3.469 2.784 3.806 . 0 0 "[ . 1 . 2]" 1
633 1 9 VAL QG 2 18 PRO QB 2.850 . 3.900 3.042 2.395 3.905 0.005 19 0 "[ . 1 . 2]" 1
634 1 9 VAL QG 2 18 PRO QG 3.375 . 4.950 3.057 2.144 3.775 . 0 0 "[ . 1 . 2]" 1
635 1 9 VAL QG 2 18 PRO QD 2.700 . 3.600 2.508 1.934 3.144 . 0 0 "[ . 1 . 2]" 1
636 1 9 VAL QG 2 20 PRO QD 2.615 . 3.430 2.489 2.011 3.441 0.011 11 0 "[ . 1 . 2]" 1
637 1 9 VAL QG 2 21 LEU H 3.045 . 4.290 3.050 2.602 3.630 . 0 0 "[ . 1 . 2]" 1
638 1 9 VAL QG 2 21 LEU QB 2.930 . 4.060 2.710 1.836 3.607 . 0 0 "[ . 1 . 2]" 1
639 1 9 VAL QG 2 21 LEU HG 3.195 . 4.590 3.063 1.934 4.181 . 0 0 "[ . 1 . 2]" 1
640 1 9 VAL QG 2 21 LEU QD 2.450 . 3.100 1.971 1.770 2.247 0.030 1 0 "[ . 1 . 2]" 1
641 1 9 VAL QG 2 22 GLY H 3.485 . 5.170 4.332 3.810 4.915 . 0 0 "[ . 1 . 2]" 1
642 1 10 PRO QB 1 11 SER H 2.505 . 3.210 2.683 2.504 2.851 . 0 0 "[ . 1 . 2]" 1
643 1 10 PRO QG 1 11 SER H 3.415 . 5.030 4.310 4.120 4.503 . 0 0 "[ . 1 . 2]" 1
644 1 10 PRO QD 1 13 THR MG 2.945 . 4.090 3.817 3.479 4.094 0.004 9 0 "[ . 1 . 2]" 1
645 1 11 SER H 1 11 SER QB 2.455 . 3.110 2.461 2.372 2.588 . 0 0 "[ . 1 . 2]" 1
646 1 11 SER QB 1 12 GLY QA 3.145 . 4.490 3.819 3.683 3.928 . 0 0 "[ . 1 . 2]" 1
647 1 11 SER QB 1 13 THR H 3.570 . 5.340 4.679 4.549 4.797 . 0 0 "[ . 1 . 2]" 1
648 1 11 SER QB 1 27 PRO HA 3.320 . 4.840 3.455 2.840 4.094 . 0 0 "[ . 1 . 2]" 1
649 1 11 SER QB 1 28 ASP HA 3.060 . 4.320 3.234 2.361 4.118 . 0 0 "[ . 1 . 2]" 1
650 1 12 GLY QA 1 13 THR HA 3.340 . 4.880 4.062 3.995 4.109 . 0 0 "[ . 1 . 2]" 1
651 1 13 THR MG 2 18 PRO QB 2.815 . 3.830 3.474 2.776 3.838 0.008 14 0 "[ . 1 . 2]" 1
652 1 13 THR MG 2 18 PRO QG 2.550 . 3.300 2.147 1.962 2.499 . 0 0 "[ . 1 . 2]" 1
653 1 13 THR MG 2 18 PRO QD 2.920 . 4.040 2.716 2.199 3.180 . 0 0 "[ . 1 . 2]" 1
654 1 14 CYS HA 1 25 CYS QB 3.085 . 4.370 3.483 3.054 3.846 . 0 0 "[ . 1 . 2]" 1
655 1 14 CYS QB 1 15 ALA H 2.650 . 3.500 2.901 2.552 3.524 0.024 14 0 "[ . 1 . 2]" 1
656 1 14 CYS QB 1 25 CYS HA 3.100 . 4.400 3.091 2.725 3.305 . 0 0 "[ . 1 . 2]" 1
657 1 14 CYS QB 1 26 PHE H 3.305 . 4.810 4.563 3.680 4.839 0.029 19 0 "[ . 1 . 2]" 1
658 1 15 ALA H 1 24 GLN QB 3.195 . 4.590 3.859 3.269 4.200 . 0 0 "[ . 1 . 2]" 1
659 1 15 ALA MB 1 24 GLN QB 3.085 . 4.370 3.830 3.223 4.303 . 0 0 "[ . 1 . 2]" 1
660 1 15 ALA MB 2 18 PRO QD 3.305 . 4.810 3.335 2.279 4.110 . 0 0 "[ . 1 . 2]" 1
661 1 16 ASP H 1 16 ASP QB 2.395 . 2.990 2.524 2.230 2.867 . 0 0 "[ . 1 . 2]" 1
662 1 16 ASP QB 1 17 PHE H 3.010 . 4.220 3.434 2.729 3.914 . 0 0 "[ . 1 . 2]" 1
663 1 17 PHE H 1 17 PHE QB 2.445 . 3.090 2.425 2.296 2.609 . 0 0 "[ . 1 . 2]" 1
664 1 17 PHE HA 1 18 PRO QD 2.500 . 3.200 2.043 1.951 2.202 . 0 0 "[ . 1 . 2]" 1
665 1 17 PHE HA 2 9 VAL QG 3.620 . 5.440 4.599 4.162 5.031 . 0 0 "[ . 1 . 2]" 1
666 1 17 PHE QB 1 18 PRO QD 2.470 . 3.140 2.167 1.978 2.336 . 0 0 "[ . 1 . 2]" 1
667 1 17 PHE QB 1 21 LEU QB 2.410 . 3.020 1.991 1.855 2.278 . 0 0 "[ . 1 . 2]" 1
668 1 17 PHE QB 1 21 LEU QD 3.010 . 4.220 2.469 2.052 3.246 . 0 0 "[ . 1 . 2]" 1
669 1 17 PHE QB 1 22 GLY H 2.660 . 3.520 2.800 2.582 3.055 . 0 0 "[ . 1 . 2]" 1
670 1 17 PHE QB 2 9 VAL QG 2.980 . 4.160 3.040 2.360 3.462 . 0 0 "[ . 1 . 2]" 1
671 1 17 PHE QD 1 18 PRO QG 3.575 . 5.350 4.611 4.340 4.769 . 0 0 "[ . 1 . 2]" 1
672 1 17 PHE QD 1 18 PRO QD 2.585 . 3.370 2.855 2.618 2.989 . 0 0 "[ . 1 . 2]" 1
673 1 17 PHE QD 1 21 LEU QB 3.070 . 4.340 3.318 2.544 3.962 . 0 0 "[ . 1 . 2]" 1
674 1 17 PHE QD 1 21 LEU QD 2.830 . 3.860 2.900 2.374 3.868 0.008 7 0 "[ . 1 . 2]" 1
675 1 17 PHE QD 1 24 GLN QB 2.420 . 3.040 2.516 2.164 2.785 . 0 0 "[ . 1 . 2]" 1
676 1 17 PHE QD 1 24 GLN QG 2.960 . 4.120 2.975 2.549 3.418 . 0 0 "[ . 1 . 2]" 1
677 1 17 PHE QD 2 9 VAL QG 3.135 . 4.470 3.308 3.032 3.677 . 0 0 "[ . 1 . 2]" 1
678 1 17 PHE QE 1 21 LEU QD 3.390 . 4.980 3.632 3.259 4.819 . 0 0 "[ . 1 . 2]" 1
679 1 17 PHE QE 1 24 GLN QB 2.670 . 3.540 2.388 2.058 2.940 . 0 0 "[ . 1 . 2]" 1
680 1 17 PHE HZ 1 24 GLN QB 3.570 . 5.340 4.480 4.032 4.962 . 0 0 "[ . 1 . 2]" 1
681 1 18 PRO QB 1 19 TRP H 2.620 . 3.440 2.571 2.442 2.650 . 0 0 "[ . 1 . 2]" 1
682 1 18 PRO QB 2 9 VAL QG 2.850 . 3.900 3.039 2.463 3.758 . 0 0 "[ . 1 . 2]" 1
683 1 18 PRO QB 2 13 THR MG 2.815 . 3.830 3.484 2.971 3.846 0.016 6 0 "[ . 1 . 2]" 1
684 1 18 PRO QG 1 19 TRP H 3.415 . 5.030 4.343 4.029 4.434 . 0 0 "[ . 1 . 2]" 1
685 1 18 PRO QG 2 9 VAL QG 3.375 . 4.950 3.056 2.276 3.753 . 0 0 "[ . 1 . 2]" 1
686 1 18 PRO QG 2 13 THR MG 2.550 . 3.300 2.114 1.945 2.368 . 0 0 "[ . 1 . 2]" 1
687 1 18 PRO QD 2 9 VAL QG 2.700 . 3.600 2.377 2.038 2.806 . 0 0 "[ . 1 . 2]" 1
688 1 18 PRO QD 2 13 THR MG 2.920 . 4.040 2.717 2.278 3.285 . 0 0 "[ . 1 . 2]" 1
689 1 18 PRO QD 2 15 ALA MB 3.305 . 4.810 3.374 2.380 4.078 . 0 0 "[ . 1 . 2]" 1
690 1 18 PRO QD 2 26 PHE QE 3.575 . 5.350 4.712 3.428 5.372 0.022 10 0 "[ . 1 . 2]" 1
691 1 19 TRP QB 1 19 TRP HD1 2.500 . 3.200 2.579 2.422 2.689 . 0 0 "[ . 1 . 2]" 1
692 1 19 TRP QB 1 19 TRP HE3 2.545 . 3.290 2.551 2.438 2.608 . 0 0 "[ . 1 . 2]" 1
693 1 19 TRP QB 1 19 TRP HE1 3.200 . 4.600 4.421 4.382 4.450 . 0 0 "[ . 1 . 2]" 1
694 1 19 TRP HD1 1 20 PRO QB 3.295 . 4.790 4.331 4.110 4.480 . 0 0 "[ . 1 . 2]" 1
695 1 19 TRP HE3 1 20 PRO QB 3.315 . 4.830 3.949 3.666 4.145 . 0 0 "[ . 1 . 2]" 1
696 1 19 TRP HE3 1 20 PRO QG 3.575 . 5.350 4.000 3.360 4.957 . 0 0 "[ . 1 . 2]" 1
697 1 19 TRP HE1 1 20 PRO QB 3.140 . 4.480 3.738 3.466 3.957 . 0 0 "[ . 1 . 2]" 1
698 1 19 TRP HZ3 1 20 PRO QB 3.570 . 5.340 4.218 3.945 4.496 . 0 0 "[ . 1 . 2]" 1
699 1 19 TRP HZ3 1 20 PRO QG 3.575 . 5.350 4.045 3.106 5.545 0.195 6 0 "[ . 1 . 2]" 1
700 1 19 TRP HH2 1 20 PRO QB 3.570 . 5.340 4.069 3.883 4.237 . 0 0 "[ . 1 . 2]" 1
701 1 19 TRP HH2 1 20 PRO QG 3.575 . 5.350 4.369 3.784 5.085 . 0 0 "[ . 1 . 2]" 1
702 1 20 PRO QG 1 21 LEU H 3.415 . 5.030 4.095 3.540 4.471 . 0 0 "[ . 1 . 2]" 1
703 1 20 PRO QD 1 21 LEU H 2.940 . 4.080 2.749 2.471 3.231 . 0 0 "[ . 1 . 2]" 1
704 1 20 PRO QD 2 9 VAL HA 3.020 . 4.240 3.345 2.766 4.074 . 0 0 "[ . 1 . 2]" 1
705 1 20 PRO QD 2 9 VAL QG 2.615 . 3.430 2.636 2.122 3.442 0.012 11 0 "[ . 1 . 2]" 1
706 1 21 LEU H 1 21 LEU QD 3.135 . 4.470 3.079 2.123 3.770 . 0 0 "[ . 1 . 2]" 1
707 1 21 LEU H 2 7 SER QB 2.880 . 3.960 3.777 3.267 4.006 0.046 12 0 "[ . 1 . 2]" 1
708 1 21 LEU H 2 9 VAL QG 3.045 . 4.290 3.154 2.659 3.617 . 0 0 "[ . 1 . 2]" 1
709 1 21 LEU HA 1 21 LEU QD 2.465 . 3.130 2.071 1.907 2.809 . 0 0 "[ . 1 . 2]" 1
710 1 21 LEU HA 1 24 GLN QE 3.385 . 4.970 3.348 2.545 4.783 . 0 0 "[ . 1 . 2]" 1
711 1 21 LEU QB 1 21 LEU QD 2.285 . 2.770 1.958 1.895 2.064 . 0 0 "[ . 1 . 2]" 1
712 1 21 LEU QB 1 22 GLY H 2.675 . 3.550 2.334 2.101 2.494 . 0 0 "[ . 1 . 2]" 1
713 1 21 LEU QB 1 24 GLN QE 3.490 . 5.180 3.652 1.788 5.215 0.035 20 0 "[ . 1 . 2]" 1
714 1 21 LEU QB 2 9 VAL QG 2.930 . 4.060 2.870 1.873 3.518 . 0 0 "[ . 1 . 2]" 1
715 1 21 LEU HG 2 9 VAL QG 3.195 . 4.590 3.097 1.973 4.225 . 0 0 "[ . 1 . 2]" 1
716 1 21 LEU QD 1 24 GLN QG 2.795 . 3.790 2.609 1.890 3.810 0.020 14 0 "[ . 1 . 2]" 1
717 1 21 LEU QD 1 24 GLN QE 3.060 . 4.320 2.925 1.842 4.337 0.017 8 0 "[ . 1 . 2]" 1
718 1 21 LEU QD 2 2 PHE H 3.620 . 5.440 4.840 4.204 5.332 . 0 0 "[ . 1 . 2]" 1
719 1 21 LEU QD 2 2 PHE QD 2.590 . 3.380 2.381 1.925 3.396 0.016 7 0 "[ . 1 . 2]" 1
720 1 21 LEU QD 2 2 PHE QE 2.945 . 4.090 2.769 2.049 3.721 . 0 0 "[ . 1 . 2]" 1
721 1 21 LEU QD 2 4 TRP H 2.820 . 3.840 2.497 2.072 2.906 . 0 0 "[ . 1 . 2]" 1
722 1 21 LEU QD 2 4 TRP QB 2.590 . 3.380 2.012 1.826 2.621 . 0 0 "[ . 1 . 2]" 1
723 1 21 LEU QD 2 4 TRP HD1 3.210 . 4.620 3.057 2.095 3.931 . 0 0 "[ . 1 . 2]" 1
724 1 21 LEU QD 2 7 SER H 3.285 . 4.770 3.388 3.208 4.069 . 0 0 "[ . 1 . 2]" 1
725 1 21 LEU QD 2 7 SER QB 2.645 . 3.490 1.901 1.778 2.081 0.022 16 0 "[ . 1 . 2]" 1
726 1 21 LEU QD 2 8 CYS HA 3.370 . 4.940 3.274 2.507 3.900 . 0 0 "[ . 1 . 2]" 1
727 1 21 LEU QD 2 9 VAL H 3.275 . 4.750 3.379 2.970 3.800 . 0 0 "[ . 1 . 2]" 1
728 1 21 LEU QD 2 9 VAL QG 2.450 . 3.100 1.989 1.802 2.452 . 0 0 "[ . 1 . 2]" 1
729 1 22 GLY H 2 9 VAL QG 3.485 . 5.170 4.373 3.728 4.900 . 0 0 "[ . 1 . 2]" 1
730 1 22 GLY QA 1 23 HIS H 2.295 . 2.790 2.169 2.095 2.241 . 0 0 "[ . 1 . 2]" 1
731 1 23 HIS H 1 23 HIS QB 2.355 . 2.910 2.543 2.251 2.921 0.011 12 0 "[ . 1 . 2]" 1
732 1 23 HIS QB 1 23 HIS HD2 2.565 . 3.330 2.846 2.645 3.113 . 0 0 "[ . 1 . 2]" 1
733 1 23 HIS QB 1 24 GLN H 2.840 . 3.880 3.499 3.250 3.883 0.003 18 0 "[ . 1 . 2]" 1
734 1 24 GLN H 1 24 GLN QB 2.500 . 3.200 2.513 2.243 2.622 . 0 0 "[ . 1 . 2]" 1
735 1 24 GLN H 1 24 GLN QG 2.675 . 3.550 3.039 2.793 3.653 0.103 5 0 "[ . 1 . 2]" 1
736 1 24 GLN HA 1 24 GLN QE 3.570 . 5.340 3.656 2.333 4.525 . 0 0 "[ . 1 . 2]" 1
737 1 24 GLN QB 1 25 CYS H 2.725 . 3.650 2.876 2.353 3.277 . 0 0 "[ . 1 . 2]" 1
738 1 24 GLN QB 1 26 PHE QE 3.345 . 4.890 3.709 3.163 4.209 . 0 0 "[ . 1 . 2]" 1
739 1 24 GLN QB 1 26 PHE HZ 3.260 . 4.720 3.848 3.084 4.553 . 0 0 "[ . 1 . 2]" 1
740 1 24 GLN QB 2 4 TRP HD1 3.570 . 5.340 3.276 2.003 4.465 . 0 0 "[ . 1 . 2]" 1
741 1 24 GLN QB 2 4 TRP HE1 3.570 . 5.340 3.359 2.783 4.003 . 0 0 "[ . 1 . 2]" 1
742 1 24 GLN QE 1 24 GLN QG 2.390 . 2.980 2.183 2.062 2.685 . 0 0 "[ . 1 . 2]" 1
743 1 24 GLN QG 1 25 CYS H 3.435 . 5.070 4.252 3.592 4.664 . 0 0 "[ . 1 . 2]" 1
744 1 24 GLN QG 2 4 TRP HD1 2.685 . 3.570 2.960 2.245 3.593 0.023 6 0 "[ . 1 . 2]" 1
745 1 24 GLN QG 2 4 TRP HE1 3.570 . 5.340 4.326 3.036 4.796 . 0 0 "[ . 1 . 2]" 1
746 1 24 GLN QE 1 25 CYS H 3.570 . 5.340 4.972 2.919 5.425 0.085 5 0 "[ . 1 . 2]" 1
747 1 25 CYS H 1 25 CYS QB 2.520 . 3.240 2.521 2.392 2.722 . 0 0 "[ . 1 . 2]" 1
748 1 25 CYS QB 1 26 PHE H 2.790 . 3.780 3.141 2.594 3.488 . 0 0 "[ . 1 . 2]" 1
749 1 26 PHE HA 1 27 PRO QG 3.325 . 4.850 3.867 3.822 3.947 . 0 0 "[ . 1 . 2]" 1
750 1 26 PHE HA 1 27 PRO QD 2.405 . 3.010 1.971 1.930 2.037 . 0 0 "[ . 1 . 2]" 1
751 1 26 PHE QD 1 27 PRO QD 3.135 . 4.470 3.734 3.445 4.007 . 0 0 "[ . 1 . 2]" 1
752 1 26 PHE QE 2 4 TRP QB 3.570 . 5.340 4.042 3.463 4.490 . 0 0 "[ . 1 . 2]" 1
753 1 26 PHE QE 2 18 PRO QD 3.575 . 5.350 4.787 3.367 5.372 0.022 1 0 "[ . 1 . 2]" 1
754 1 27 PRO QB 1 28 ASP H 2.915 . 4.030 3.142 2.571 3.502 . 0 0 "[ . 1 . 2]" 1
755 1 27 PRO QG 1 28 ASP H 2.850 . 3.900 3.116 2.465 3.878 . 0 0 "[ . 1 . 2]" 1
756 1 27 PRO QD 1 28 ASP H 2.870 . 3.940 2.513 2.237 2.842 . 0 0 "[ . 1 . 2]" 1
757 1 28 ASP H 1 28 ASP QB 2.540 . 3.280 2.502 2.265 2.975 . 0 0 "[ . 1 . 2]" 1
758 2 1 GLY QA 2 2 PHE H 2.330 . 2.860 2.276 2.212 2.338 . 0 0 "[ . 1 . 2]" 1
759 2 1 GLY QA 2 9 VAL QG 3.080 . 4.360 3.080 2.746 3.443 . 0 0 "[ . 1 . 2]" 1
760 2 1 GLY QA 2 11 SER H 3.305 . 4.810 3.494 3.317 3.759 . 0 0 "[ . 1 . 2]" 1
761 2 1 GLY QA 2 11 SER HA 3.000 . 4.200 2.449 2.094 2.705 . 0 0 "[ . 1 . 2]" 1
762 2 1 GLY QA 2 26 PHE HB2 3.290 . 4.780 2.794 2.414 3.093 . 0 0 "[ . 1 . 2]" 1
763 2 1 GLY QA 2 26 PHE HB3 3.180 . 4.560 2.946 2.673 3.282 . 0 0 "[ . 1 . 2]" 1
764 2 1 GLY QA 2 28 ASP H 3.570 . 5.340 4.082 3.935 4.282 . 0 0 "[ . 1 . 2]" 1
765 2 2 PHE H 2 2 PHE QB 2.645 . 3.490 2.702 2.479 2.819 . 0 0 "[ . 1 . 2]" 1
766 2 2 PHE H 2 9 VAL QG 2.595 . 3.390 2.364 2.010 2.764 . 0 0 "[ . 1 . 2]" 1
767 2 2 PHE HA 2 9 VAL QG 3.580 . 5.360 4.005 3.861 4.123 . 0 0 "[ . 1 . 2]" 1
768 2 2 PHE QB 2 9 VAL H 3.510 . 5.220 3.683 3.341 3.898 . 0 0 "[ . 1 . 2]" 1
769 2 2 PHE QB 2 9 VAL QG 2.480 . 3.160 2.090 1.914 2.242 . 0 0 "[ . 1 . 2]" 1
770 2 2 PHE QB 2 26 PHE HB3 3.115 . 4.430 2.741 2.126 3.129 . 0 0 "[ . 1 . 2]" 1
771 2 2 PHE QB 2 26 PHE QD 2.755 . 3.710 2.784 2.670 2.945 . 0 0 "[ . 1 . 2]" 1
772 2 2 PHE QD 2 4 TRP QB 3.040 . 4.280 3.519 3.205 3.815 . 0 0 "[ . 1 . 2]" 1
773 2 2 PHE QD 2 9 VAL QG 2.655 . 3.510 2.861 2.531 3.145 . 0 0 "[ . 1 . 2]" 1
774 2 2 PHE QE 2 4 TRP QB 2.860 . 3.920 2.369 2.138 2.549 . 0 0 "[ . 1 . 2]" 1
775 2 2 PHE QE 2 9 VAL QG 3.530 . 5.260 4.554 4.278 4.837 . 0 0 "[ . 1 . 2]" 1
776 2 3 CYS H 2 3 CYS QB 2.670 . 3.540 2.600 2.470 2.694 . 0 0 "[ . 1 . 2]" 1
777 2 3 CYS QB 2 4 TRP H 2.770 . 3.740 3.362 2.995 3.735 . 0 0 "[ . 1 . 2]" 1
778 2 3 CYS QB 2 7 SER H 3.570 . 5.340 4.729 4.145 5.341 0.001 3 0 "[ . 1 . 2]" 1
779 2 3 CYS QB 2 8 CYS HA 3.155 . 4.510 3.318 2.451 3.923 . 0 0 "[ . 1 . 2]" 1
780 2 4 TRP H 2 7 SER QB 3.480 . 5.160 3.567 3.307 3.885 . 0 0 "[ . 1 . 2]" 1
781 2 4 TRP HD1 2 5 HIS QB 3.010 . 4.220 2.702 2.085 3.373 . 0 0 "[ . 1 . 2]" 1
782 2 5 HIS QB 2 6 HIS H 3.075 . 4.350 3.837 3.752 4.019 . 0 0 "[ . 1 . 2]" 1
783 2 5 HIS QB 2 6 HIS HD2 3.425 . 5.050 4.586 3.698 5.069 0.019 16 0 "[ . 1 . 2]" 1
784 2 7 SER QB 2 8 CYS H 2.675 . 3.550 3.209 2.776 3.501 . 0 0 "[ . 1 . 2]" 1
785 2 8 CYS HA 2 9 VAL QG 2.885 . 3.970 3.354 3.267 3.430 . 0 0 "[ . 1 . 2]" 1
786 2 8 CYS QB 2 9 VAL QG 3.620 . 5.440 4.050 3.922 4.300 . 0 0 "[ . 1 . 2]" 1
787 2 9 VAL H 2 9 VAL QG 2.475 . 3.150 2.019 1.923 2.147 . 0 0 "[ . 1 . 2]" 1
788 2 9 VAL HA 2 10 PRO QG 3.165 . 4.530 3.919 3.646 4.102 . 0 0 "[ . 1 . 2]" 1
789 2 9 VAL HA 2 10 PRO QD 2.220 . 2.640 2.043 1.864 2.181 . 0 0 "[ . 1 . 2]" 1
790 2 9 VAL HB 2 10 PRO QD 2.630 . 3.460 2.292 2.088 2.713 . 0 0 "[ . 1 . 2]" 1
791 2 9 VAL QG 2 10 PRO HA 3.620 . 5.440 4.515 4.407 4.710 . 0 0 "[ . 1 . 2]" 1
792 2 9 VAL QG 2 10 PRO QD 2.695 . 3.590 2.879 2.741 3.030 . 0 0 "[ . 1 . 2]" 1
793 2 9 VAL QG 2 13 THR HB 2.825 . 3.850 2.612 2.419 3.016 . 0 0 "[ . 1 . 2]" 1
794 2 9 VAL QG 2 13 THR MG 2.585 . 3.370 2.222 1.989 2.530 . 0 0 "[ . 1 . 2]" 1
795 2 9 VAL QG 2 26 PHE HB2 3.620 . 5.440 3.594 3.261 4.025 . 0 0 "[ . 1 . 2]" 1
796 2 9 VAL QG 2 26 PHE QD 3.085 . 4.370 3.181 2.495 3.714 . 0 0 "[ . 1 . 2]" 1
797 2 9 VAL QG 2 26 PHE QE 3.540 . 5.280 3.760 2.817 4.432 . 0 0 "[ . 1 . 2]" 1
798 2 10 PRO QB 2 11 SER H 2.505 . 3.210 2.690 2.535 2.921 . 0 0 "[ . 1 . 2]" 1
799 2 10 PRO QG 2 11 SER H 3.415 . 5.030 4.319 4.137 4.556 . 0 0 "[ . 1 . 2]" 1
800 2 10 PRO QD 2 13 THR MG 2.945 . 4.090 3.733 2.597 4.103 0.013 2 0 "[ . 1 . 2]" 1
801 2 11 SER H 2 11 SER QB 2.455 . 3.110 2.485 2.398 2.660 . 0 0 "[ . 1 . 2]" 1
802 2 11 SER QB 2 12 GLY QA 3.145 . 4.490 3.821 3.758 3.948 . 0 0 "[ . 1 . 2]" 1
803 2 11 SER QB 2 13 THR H 3.570 . 5.340 4.690 4.604 4.791 . 0 0 "[ . 1 . 2]" 1
804 2 11 SER QB 2 27 PRO HA 3.320 . 4.840 3.559 3.143 4.020 . 0 0 "[ . 1 . 2]" 1
805 2 11 SER QB 2 28 ASP HA 3.060 . 4.320 3.180 2.536 3.701 . 0 0 "[ . 1 . 2]" 1
806 2 12 GLY QA 2 13 THR HA 3.340 . 4.880 4.060 4.024 4.093 . 0 0 "[ . 1 . 2]" 1
807 2 14 CYS HA 2 25 CYS QB 3.085 . 4.370 3.342 2.854 3.889 . 0 0 "[ . 1 . 2]" 1
808 2 14 CYS QB 2 15 ALA H 2.650 . 3.500 2.923 2.557 3.522 0.022 15 0 "[ . 1 . 2]" 1
809 2 14 CYS QB 2 25 CYS HA 3.100 . 4.400 3.137 2.589 3.422 . 0 0 "[ . 1 . 2]" 1
810 2 14 CYS QB 2 26 PHE H 3.305 . 4.810 4.560 3.471 4.880 0.070 9 0 "[ . 1 . 2]" 1
811 2 15 ALA H 2 24 GLN QB 3.195 . 4.590 3.937 3.532 4.162 . 0 0 "[ . 1 . 2]" 1
812 2 15 ALA MB 2 24 GLN QB 3.085 . 4.370 3.825 3.478 4.160 . 0 0 "[ . 1 . 2]" 1
813 2 16 ASP H 2 16 ASP QB 2.395 . 2.990 2.455 2.238 2.822 . 0 0 "[ . 1 . 2]" 1
814 2 16 ASP QB 2 17 PHE H 3.010 . 4.220 3.543 2.747 3.933 . 0 0 "[ . 1 . 2]" 1
815 2 17 PHE H 2 17 PHE QB 2.445 . 3.090 2.451 2.315 2.576 . 0 0 "[ . 1 . 2]" 1
816 2 17 PHE HA 2 18 PRO QD 2.500 . 3.200 2.037 1.935 2.202 . 0 0 "[ . 1 . 2]" 1
817 2 17 PHE QB 2 18 PRO QD 2.470 . 3.140 2.190 1.946 2.349 . 0 0 "[ . 1 . 2]" 1
818 2 17 PHE QB 2 21 LEU QB 2.410 . 3.020 1.974 1.858 2.349 . 0 0 "[ . 1 . 2]" 1
819 2 17 PHE QB 2 21 LEU QD 3.010 . 4.220 2.393 2.035 3.315 . 0 0 "[ . 1 . 2]" 1
820 2 17 PHE QB 2 22 GLY H 2.660 . 3.520 2.824 2.547 3.207 . 0 0 "[ . 1 . 2]" 1
821 2 17 PHE QD 2 18 PRO QG 3.575 . 5.350 4.616 4.047 4.806 . 0 0 "[ . 1 . 2]" 1
822 2 17 PHE QD 2 18 PRO QD 2.585 . 3.370 2.865 2.375 3.022 . 0 0 "[ . 1 . 2]" 1
823 2 17 PHE QD 2 21 LEU QB 3.070 . 4.340 3.417 2.946 4.057 . 0 0 "[ . 1 . 2]" 1
824 2 17 PHE QD 2 21 LEU QD 2.830 . 3.860 2.731 2.299 3.886 0.026 5 0 "[ . 1 . 2]" 1
825 2 17 PHE QD 2 24 GLN QB 2.420 . 3.040 2.499 1.965 3.017 . 0 0 "[ . 1 . 2]" 1
826 2 17 PHE QD 2 24 GLN QG 2.960 . 4.120 2.965 2.268 3.263 . 0 0 "[ . 1 . 2]" 1
827 2 17 PHE QE 2 21 LEU QD 3.390 . 4.980 3.556 3.239 4.694 . 0 0 "[ . 1 . 2]" 1
828 2 17 PHE QE 2 24 GLN QB 2.670 . 3.540 2.355 2.143 2.667 . 0 0 "[ . 1 . 2]" 1
829 2 17 PHE HZ 2 24 GLN QB 3.570 . 5.340 4.382 3.935 4.885 . 0 0 "[ . 1 . 2]" 1
830 2 18 PRO QB 2 19 TRP H 2.620 . 3.440 2.598 2.439 2.861 . 0 0 "[ . 1 . 2]" 1
831 2 18 PRO QG 2 19 TRP H 3.415 . 5.030 4.364 3.989 4.503 . 0 0 "[ . 1 . 2]" 1
832 2 19 TRP QB 2 19 TRP HD1 2.500 . 3.200 2.595 2.418 2.674 . 0 0 "[ . 1 . 2]" 1
833 2 19 TRP QB 2 19 TRP HE3 2.545 . 3.290 2.532 2.460 2.602 . 0 0 "[ . 1 . 2]" 1
834 2 19 TRP QB 2 19 TRP HE1 3.200 . 4.600 4.426 4.379 4.454 . 0 0 "[ . 1 . 2]" 1
835 2 19 TRP HD1 2 20 PRO QB 3.295 . 4.790 4.346 4.165 4.492 . 0 0 "[ . 1 . 2]" 1
836 2 19 TRP HE3 2 20 PRO QB 3.315 . 4.830 3.923 3.732 4.110 . 0 0 "[ . 1 . 2]" 1
837 2 19 TRP HE3 2 20 PRO QG 3.575 . 5.350 4.111 3.307 4.947 . 0 0 "[ . 1 . 2]" 1
838 2 19 TRP HE1 2 20 PRO QB 3.140 . 4.480 3.754 3.508 3.975 . 0 0 "[ . 1 . 2]" 1
839 2 19 TRP HZ3 2 20 PRO QB 3.570 . 5.340 4.185 3.977 4.412 . 0 0 "[ . 1 . 2]" 1
840 2 19 TRP HZ3 2 20 PRO QG 3.575 . 5.350 4.154 3.205 5.540 0.190 11 0 "[ . 1 . 2]" 1
841 2 19 TRP HH2 2 20 PRO QB 3.570 . 5.340 4.047 3.904 4.200 . 0 0 "[ . 1 . 2]" 1
842 2 19 TRP HH2 2 20 PRO QG 3.575 . 5.350 4.501 3.759 5.154 . 0 0 "[ . 1 . 2]" 1
843 2 20 PRO QG 2 21 LEU H 3.415 . 5.030 4.012 3.518 4.292 . 0 0 "[ . 1 . 2]" 1
844 2 20 PRO QD 2 21 LEU H 2.940 . 4.080 2.743 2.559 2.952 . 0 0 "[ . 1 . 2]" 1
845 2 21 LEU H 2 21 LEU QD 3.135 . 4.470 3.117 2.245 3.782 . 0 0 "[ . 1 . 2]" 1
846 2 21 LEU HA 2 21 LEU QD 2.465 . 3.130 2.147 1.930 2.805 . 0 0 "[ . 1 . 2]" 1
847 2 21 LEU HA 2 24 GLN QE 3.385 . 4.970 3.577 2.006 4.972 0.002 5 0 "[ . 1 . 2]" 1
848 2 21 LEU QB 2 21 LEU QD 2.285 . 2.770 1.982 1.915 2.074 . 0 0 "[ . 1 . 2]" 1
849 2 21 LEU QB 2 22 GLY H 2.675 . 3.550 2.272 2.029 2.473 . 0 0 "[ . 1 . 2]" 1
850 2 21 LEU QB 2 24 GLN QE 3.490 . 5.180 3.840 2.408 5.216 0.036 20 0 "[ . 1 . 2]" 1
851 2 21 LEU QD 2 24 GLN QG 2.795 . 3.790 2.550 1.948 3.805 0.015 13 0 "[ . 1 . 2]" 1
852 2 21 LEU QD 2 24 GLN QE 3.060 . 4.320 2.891 1.820 4.294 . 0 0 "[ . 1 . 2]" 1
853 2 22 GLY QA 2 23 HIS H 2.295 . 2.790 2.179 2.099 2.294 . 0 0 "[ . 1 . 2]" 1
854 2 23 HIS H 2 23 HIS QB 2.355 . 2.910 2.505 2.254 2.889 . 0 0 "[ . 1 . 2]" 1
855 2 23 HIS QB 2 23 HIS HD2 2.565 . 3.330 2.799 2.649 2.956 . 0 0 "[ . 1 . 2]" 1
856 2 23 HIS QB 2 24 GLN H 2.840 . 3.880 3.468 3.083 3.857 . 0 0 "[ . 1 . 2]" 1
857 2 24 GLN H 2 24 GLN QB 2.500 . 3.200 2.554 2.436 2.748 . 0 0 "[ . 1 . 2]" 1
858 2 24 GLN H 2 24 GLN QG 2.675 . 3.550 3.029 2.650 3.242 . 0 0 "[ . 1 . 2]" 1
859 2 24 GLN HA 2 24 GLN QE 3.570 . 5.340 3.687 2.377 4.411 . 0 0 "[ . 1 . 2]" 1
860 2 24 GLN QB 2 25 CYS H 2.725 . 3.650 2.945 2.362 3.282 . 0 0 "[ . 1 . 2]" 1
861 2 24 GLN QB 2 26 PHE QE 3.345 . 4.890 3.630 3.121 4.208 . 0 0 "[ . 1 . 2]" 1
862 2 24 GLN QB 2 26 PHE HZ 3.260 . 4.720 3.816 3.000 4.731 0.011 13 0 "[ . 1 . 2]" 1
863 2 24 GLN QE 2 24 GLN QG 2.390 . 2.980 2.170 2.002 2.673 . 0 0 "[ . 1 . 2]" 1
864 2 24 GLN QG 2 25 CYS H 3.435 . 5.070 4.298 3.658 4.644 . 0 0 "[ . 1 . 2]" 1
865 2 24 GLN QE 2 25 CYS H 3.570 . 5.340 4.971 4.073 5.450 0.110 15 0 "[ . 1 . 2]" 1
866 2 25 CYS H 2 25 CYS QB 2.520 . 3.240 2.511 2.395 2.750 . 0 0 "[ . 1 . 2]" 1
867 2 25 CYS QB 2 26 PHE H 2.790 . 3.780 3.167 2.492 3.672 . 0 0 "[ . 1 . 2]" 1
868 2 26 PHE HA 2 27 PRO QG 3.325 . 4.850 3.893 3.835 3.937 . 0 0 "[ . 1 . 2]" 1
869 2 26 PHE HA 2 27 PRO QD 2.405 . 3.010 2.001 1.954 2.065 . 0 0 "[ . 1 . 2]" 1
870 2 26 PHE QD 2 27 PRO QD 3.135 . 4.470 3.840 3.542 4.063 . 0 0 "[ . 1 . 2]" 1
871 2 27 PRO QB 2 28 ASP H 2.915 . 4.030 3.119 2.700 3.554 . 0 0 "[ . 1 . 2]" 1
872 2 27 PRO QG 2 28 ASP H 2.850 . 3.900 3.277 2.463 3.895 . 0 0 "[ . 1 . 2]" 1
873 2 27 PRO QD 2 28 ASP H 2.870 . 3.940 2.496 2.172 2.834 . 0 0 "[ . 1 . 2]" 1
874 2 28 ASP H 2 28 ASP QB 2.540 . 3.280 2.522 2.327 2.863 . 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 50
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 40.048
_Distance_constraint_stats_list.Viol_max 0.090
_Distance_constraint_stats_list.Viol_rms 0.0092
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0278
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PHE 0.153 0.050 7 0 "[ . 1 . 2]"
1 4 TRP 0.076 0.030 18 0 "[ . 1 . 2]"
1 7 SER 0.076 0.030 18 0 "[ . 1 . 2]"
1 9 VAL 0.153 0.050 7 0 "[ . 1 . 2]"
1 10 PRO 0.696 0.090 12 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.696 0.090 12 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PRO 0.028 0.014 7 0 "[ . 1 . 2]"
1 21 LEU 0.009 0.009 8 0 "[ . 1 . 2]"
1 22 GLY 0.019 0.014 7 0 "[ . 1 . 2]"
1 24 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 PHE 0.195 0.047 15 0 "[ . 1 . 2]"
2 4 TRP 0.097 0.054 14 0 "[ . 1 . 2]"
2 7 SER 0.097 0.054 14 0 "[ . 1 . 2]"
2 9 VAL 0.195 0.047 15 0 "[ . 1 . 2]"
2 10 PRO 0.622 0.089 20 0 "[ . 1 . 2]"
2 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 THR 0.622 0.089 20 0 "[ . 1 . 2]"
2 15 ALA 0.013 0.013 1 0 "[ . 1 . 2]"
2 17 PHE 0.044 0.023 19 0 "[ . 1 . 2]"
2 18 PRO 0.077 0.036 11 0 "[ . 1 . 2]"
2 21 LEU 0.077 0.036 11 0 "[ . 1 . 2]"
2 22 GLY 0.044 0.023 19 0 "[ . 1 . 2]"
2 24 GLN 0.013 0.013 1 0 "[ . 1 . 2]"
2 26 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY N 1 26 PHE O 0.000 . 3.300 3.195 3.120 3.248 . 0 0 "[ . 1 . 2]" 2
2 1 2 PHE H 1 9 VAL O 0.000 . 2.300 2.201 1.978 2.350 0.050 7 0 "[ . 1 . 2]" 2
3 1 2 PHE N 1 9 VAL O 0.000 . 3.300 3.132 2.918 3.277 . 0 0 "[ . 1 . 2]" 2
4 1 4 TRP H 1 7 SER O 0.000 . 2.300 1.918 1.776 2.130 . 0 0 "[ . 1 . 2]" 2
5 1 4 TRP N 1 7 SER O 0.000 . 3.300 2.865 2.746 3.033 . 0 0 "[ . 1 . 2]" 2
6 1 4 TRP O 1 7 SER H 0.000 . 2.300 2.112 1.947 2.330 0.030 18 0 "[ . 1 . 2]" 2
7 1 4 TRP O 1 7 SER N 0.000 . 3.300 3.019 2.887 3.202 . 0 0 "[ . 1 . 2]" 2
8 1 2 PHE O 1 9 VAL H 0.000 . 2.300 1.809 1.679 1.951 . 0 0 "[ . 1 . 2]" 2
9 1 2 PHE O 1 9 VAL N 0.000 . 3.300 2.765 2.664 2.887 . 0 0 "[ . 1 . 2]" 2
10 1 12 GLY H 1 26 PHE O 0.000 . 2.300 1.936 1.778 2.189 . 0 0 "[ . 1 . 2]" 2
11 1 12 GLY N 1 26 PHE O 0.000 . 3.300 2.903 2.760 3.137 . 0 0 "[ . 1 . 2]" 2
12 1 10 PRO O 1 13 THR H 0.000 . 2.300 2.332 2.255 2.390 0.090 12 0 "[ . 1 . 2]" 2
13 1 10 PRO O 1 13 THR N 0.000 . 3.300 3.243 3.179 3.302 0.002 18 0 "[ . 1 . 2]" 2
14 1 15 ALA H 1 24 GLN O 0.000 . 2.300 1.825 1.763 1.910 . 0 0 "[ . 1 . 2]" 2
15 1 15 ALA N 1 24 GLN O 0.000 . 3.300 2.794 2.719 2.883 . 0 0 "[ . 1 . 2]" 2
16 1 17 PHE H 1 22 GLY O 0.000 . 2.300 1.875 1.714 2.178 . 0 0 "[ . 1 . 2]" 2
17 1 17 PHE N 1 22 GLY O 0.000 . 3.300 2.777 2.694 2.999 . 0 0 "[ . 1 . 2]" 2
18 1 18 PRO O 1 21 LEU H 0.000 . 2.300 2.172 2.040 2.309 0.009 8 0 "[ . 1 . 2]" 2
19 1 18 PRO O 1 21 LEU N 0.000 . 3.300 2.908 2.856 2.964 . 0 0 "[ . 1 . 2]" 2
20 1 18 PRO O 1 22 GLY H 0.000 . 2.300 2.040 1.857 2.314 0.014 7 0 "[ . 1 . 2]" 2
21 1 18 PRO O 1 22 GLY N 0.000 . 3.300 3.003 2.839 3.254 . 0 0 "[ . 1 . 2]" 2
22 1 15 ALA O 1 24 GLN H 0.000 . 2.300 1.972 1.799 2.210 . 0 0 "[ . 1 . 2]" 2
23 1 15 ALA O 1 24 GLN N 0.000 . 3.300 2.905 2.754 3.177 . 0 0 "[ . 1 . 2]" 2
24 1 13 THR O 1 26 PHE H 0.000 . 2.300 1.839 1.726 2.015 . 0 0 "[ . 1 . 2]" 2
25 1 13 THR O 1 26 PHE N 0.000 . 3.300 2.805 2.710 2.974 . 0 0 "[ . 1 . 2]" 2
26 2 1 GLY N 2 26 PHE O 0.000 . 3.300 3.172 3.064 3.259 . 0 0 "[ . 1 . 2]" 2
27 2 2 PHE H 2 9 VAL O 0.000 . 2.300 2.257 2.135 2.347 0.047 15 0 "[ . 1 . 2]" 2
28 2 2 PHE N 2 9 VAL O 0.000 . 3.300 3.173 3.022 3.281 . 0 0 "[ . 1 . 2]" 2
29 2 4 TRP H 2 7 SER O 0.000 . 2.300 1.930 1.749 2.122 . 0 0 "[ . 1 . 2]" 2
30 2 4 TRP N 2 7 SER O 0.000 . 3.300 2.879 2.698 3.075 . 0 0 "[ . 1 . 2]" 2
31 2 4 TRP O 2 7 SER H 0.000 . 2.300 2.085 1.920 2.354 0.054 14 0 "[ . 1 . 2]" 2
32 2 4 TRP O 2 7 SER N 0.000 . 3.300 2.994 2.842 3.210 . 0 0 "[ . 1 . 2]" 2
33 2 2 PHE O 2 9 VAL H 0.000 . 2.300 1.802 1.713 1.936 . 0 0 "[ . 1 . 2]" 2
34 2 2 PHE O 2 9 VAL N 0.000 . 3.300 2.757 2.688 2.859 . 0 0 "[ . 1 . 2]" 2
35 2 12 GLY H 2 26 PHE O 0.000 . 2.300 1.874 1.774 2.228 . 0 0 "[ . 1 . 2]" 2
36 2 12 GLY N 2 26 PHE O 0.000 . 3.300 2.846 2.746 3.174 . 0 0 "[ . 1 . 2]" 2
37 2 10 PRO O 2 13 THR H 0.000 . 2.300 2.325 2.218 2.389 0.089 20 0 "[ . 1 . 2]" 2
38 2 10 PRO O 2 13 THR N 0.000 . 3.300 3.215 3.117 3.301 0.001 12 0 "[ . 1 . 2]" 2
39 2 15 ALA H 2 24 GLN O 0.000 . 2.300 1.836 1.725 1.969 . 0 0 "[ . 1 . 2]" 2
40 2 15 ALA N 2 24 GLN O 0.000 . 3.300 2.802 2.696 2.952 . 0 0 "[ . 1 . 2]" 2
41 2 17 PHE H 2 22 GLY O 0.000 . 2.300 1.985 1.781 2.323 0.023 19 0 "[ . 1 . 2]" 2
42 2 17 PHE N 2 22 GLY O 0.000 . 3.300 2.853 2.653 3.165 . 0 0 "[ . 1 . 2]" 2
43 2 18 PRO O 2 21 LEU H 0.000 . 2.300 2.198 2.041 2.336 0.036 11 0 "[ . 1 . 2]" 2
44 2 18 PRO O 2 21 LEU N 0.000 . 3.300 2.903 2.822 3.002 . 0 0 "[ . 1 . 2]" 2
45 2 18 PRO O 2 22 GLY H 0.000 . 2.300 1.992 1.845 2.268 . 0 0 "[ . 1 . 2]" 2
46 2 18 PRO O 2 22 GLY N 0.000 . 3.300 2.957 2.811 3.177 . 0 0 "[ . 1 . 2]" 2
47 2 15 ALA O 2 24 GLN H 0.000 . 2.300 1.989 1.819 2.313 0.013 1 0 "[ . 1 . 2]" 2
48 2 15 ALA O 2 24 GLN N 0.000 . 3.300 2.923 2.782 3.275 . 0 0 "[ . 1 . 2]" 2
49 2 13 THR O 2 26 PHE H 0.000 . 2.300 1.823 1.666 2.044 . 0 0 "[ . 1 . 2]" 2
50 2 13 THR O 2 26 PHE N 0.000 . 3.300 2.784 2.646 2.926 . 0 0 "[ . 1 . 2]" 2
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