NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426568 |
2hcc   |
4314 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hcc
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 592
_Distance_constraint_stats_list.Viol_count 1807
_Distance_constraint_stats_list.Viol_total 3711.502
_Distance_constraint_stats_list.Viol_max 0.992
_Distance_constraint_stats_list.Viol_rms 0.0404
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0685
_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 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 2 PHE 0.053 0.027 1 0 "[ . 1 . 2 . 3]"
1 3 ALA 0.063 0.027 1 0 "[ . 1 . 2 . 3]"
1 4 ALA 0.044 0.025 11 0 "[ . 1 . 2 . 3]"
1 5 ASP 0.083 0.025 11 0 "[ . 1 . 2 . 3]"
1 6 CYS 0.318 0.070 28 0 "[ . 1 . 2 . 3]"
1 7 CYS 3.970 0.233 28 0 "[ . 1 . 2 . 3]"
1 8 THR 0.677 0.051 23 0 "[ . 1 . 2 . 3]"
1 9 SER 0.036 0.013 17 0 "[ . 1 . 2 . 3]"
1 10 TYR 2.464 0.069 24 0 "[ . 1 . 2 . 3]"
1 11 ILE 6.773 0.624 19 1 "[ . 1 . +2 . 3]"
1 12 SER 8.548 0.951 18 4 "[- . 1 . +*2 * . 3]"
1 13 GLN 6.536 0.951 18 3 "[- . 1 . + 2 * . 3]"
1 14 SER 0.311 0.076 28 0 "[ . 1 . 2 . 3]"
1 15 ILE 6.117 0.102 23 0 "[ . 1 . 2 . 3]"
1 16 PRO 2.927 0.129 9 0 "[ . 1 . 2 . 3]"
1 17 CYS 2.177 0.204 2 0 "[ . 1 . 2 . 3]"
1 18 SER 3.052 0.204 2 0 "[ . 1 . 2 . 3]"
1 19 LEU 1.164 0.142 21 0 "[ . 1 . 2 . 3]"
1 20 MET 5.405 0.150 5 0 "[ . 1 . 2 . 3]"
1 21 LYS 1.316 0.118 4 0 "[ . 1 . 2 . 3]"
1 22 SER 1.571 0.071 11 0 "[ . 1 . 2 . 3]"
1 23 TYR 1.097 0.067 20 0 "[ . 1 . 2 . 3]"
1 24 PHE 4.947 0.120 12 0 "[ . 1 . 2 . 3]"
1 25 GLU 0.023 0.023 4 0 "[ . 1 . 2 . 3]"
1 26 THR 2.690 0.109 27 0 "[ . 1 . 2 . 3]"
1 27 SER 0.279 0.043 27 0 "[ . 1 . 2 . 3]"
1 28 SER 11.516 0.834 18 11 "[ *.* *1 ** + 2* -** *]"
1 29 GLU 7.084 0.497 24 0 "[ . 1 . 2 . 3]"
1 30 CYS 5.086 0.497 24 0 "[ . 1 . 2 . 3]"
1 31 SER 3.579 0.233 26 0 "[ . 1 . 2 . 3]"
1 32 LYS 3.478 0.233 26 0 "[ . 1 . 2 . 3]"
1 33 PRO 0.683 0.072 27 0 "[ . 1 . 2 . 3]"
1 34 GLY 2.602 0.081 15 0 "[ . 1 . 2 . 3]"
1 35 VAL 0.487 0.042 30 0 "[ . 1 . 2 . 3]"
1 36 ILE 4.113 0.120 12 0 "[ . 1 . 2 . 3]"
1 37 PHE 5.646 0.088 28 0 "[ . 1 . 2 . 3]"
1 38 LEU 1.562 0.071 11 0 "[ . 1 . 2 . 3]"
1 39 THR 4.935 0.430 14 0 "[ . 1 . 2 . 3]"
1 40 LYS 2.557 0.150 5 0 "[ . 1 . 2 . 3]"
1 41 LYS 3.506 0.430 14 0 "[ . 1 . 2 . 3]"
1 42 GLY 1.911 0.139 24 0 "[ . 1 . 2 . 3]"
1 43 ARG 3.445 0.397 24 0 "[ . 1 . 2 . 3]"
1 44 GLN 3.576 0.321 20 0 "[ . 1 . 2 . 3]"
1 45 VAL 0.956 0.072 26 0 "[ . 1 . 2 . 3]"
1 46 CYS 3.500 0.135 26 0 "[ . 1 . 2 . 3]"
1 47 ALA 2.006 0.075 18 0 "[ . 1 . 2 . 3]"
1 48 LYS 4.990 0.414 8 0 "[ . 1 . 2 . 3]"
1 49 PRO 0.143 0.029 25 0 "[ . 1 . 2 . 3]"
1 50 SER 0.164 0.029 25 0 "[ . 1 . 2 . 3]"
1 51 GLY 6.959 0.414 8 0 "[ . 1 . 2 . 3]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 54 VAL 5.594 0.122 15 0 "[ . 1 . 2 . 3]"
1 55 GLN 3.107 0.104 13 0 "[ . 1 . 2 . 3]"
1 56 ASP 21.256 0.992 22 10 "[ -*. * 1 **.* * * + . *3]"
1 57 CYS 12.232 0.806 20 9 "[ -*. * 1 **.* * + . *3]"
1 58 MET 11.947 0.364 16 0 "[ . 1 . 2 . 3]"
1 59 LYS 5.184 0.992 22 1 "[ . 1 . 2 + . 3]"
1 60 LYS 0.390 0.076 11 0 "[ . 1 . 2 . 3]"
1 61 LEU 8.447 0.364 16 0 "[ . 1 . 2 . 3]"
1 62 LYS 0.952 0.066 26 0 "[ . 1 . 2 . 3]"
1 63 PRO 0.159 0.042 21 0 "[ . 1 . 2 . 3]"
1 64 TYR 0.204 0.170 26 0 "[ . 1 . 2 . 3]"
1 65 SER 0.186 0.170 26 0 "[ . 1 . 2 . 3]"
1 66 ILE 0.009 0.009 27 0 "[ . 1 . 2 . 3]"
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 10 TYR HA 1 10 TYR HB3 0.000 . 2.700 2.486 2.444 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 10 TYR HA 1 10 TYR QD 0.000 . 3.300 2.237 1.821 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 10 TYR HB3 1 10 TYR QD 0.000 . 3.300 2.646 2.531 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 10 TYR HB2 1 10 TYR QD 0.000 . 2.700 2.323 2.303 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 10 TYR HA 1 10 TYR QE 0.000 . 5.000 4.345 4.168 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 10 TYR HB3 1 10 TYR QE 0.000 . 5.000 4.512 4.482 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 10 TYR HB2 1 10 TYR QE 0.000 . 5.000 4.425 4.418 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 10 TYR H 1 10 TYR QD 0.000 . 5.000 3.168 2.471 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 11 ILE H 1 11 ILE MD 0.000 . 3.300 1.813 1.748 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 11 ILE H 1 11 ILE HG12 0.000 . 5.000 3.451 2.080 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 11 ILE H 1 11 ILE HG13 0.000 . 5.000 3.752 3.552 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 12 SER H 1 12 SER HB3 0.000 . 3.300 3.013 2.033 3.340 0.040 19 0 "[ . 1 . 2 . 3]" 1
13 1 12 SER H 1 12 SER HB2 0.000 . 3.300 3.341 3.312 3.398 0.098 21 0 "[ . 1 . 2 . 3]" 1
14 1 13 GLN H 1 13 GLN QG 0.000 . 3.300 2.180 1.926 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 15 ILE H 1 15 ILE HB 0.000 . 3.300 2.207 2.099 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 15 ILE H 1 15 ILE MD 0.000 . 5.000 3.663 3.459 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 15 ILE H 1 15 ILE HG12 0.000 . 3.300 2.409 2.235 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 15 ILE H 1 15 ILE HG13 0.000 . 5.000 3.565 3.330 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 18 SER H 1 18 SER HB3 0.000 . 3.300 2.748 1.993 3.427 0.127 2 0 "[ . 1 . 2 . 3]" 1
20 1 18 SER H 1 18 SER HB2 0.000 . 3.300 2.319 1.941 3.428 0.128 30 0 "[ . 1 . 2 . 3]" 1
21 1 19 LEU H 1 19 LEU QD 0.000 . 5.000 3.349 2.349 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 19 LEU H 1 19 LEU HG 0.000 . 5.000 4.001 1.909 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 2 PHE H 1 2 PHE QB 0.000 . 3.300 2.504 1.942 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 20 MET H 1 20 MET HB2 0.000 . 3.300 2.859 2.585 3.310 0.010 8 0 "[ . 1 . 2 . 3]" 1
25 1 20 MET H 1 20 MET HG2 0.000 . 3.300 2.228 1.848 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 20 MET H 1 20 MET HG3 0.000 . 5.000 3.603 3.119 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 21 LYS H 1 21 LYS QB 0.000 . 3.300 2.363 2.098 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 21 LYS H 1 21 LYS QG 0.000 . 5.000 2.903 1.828 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 22 SER H 1 22 SER HB3 0.000 . 3.300 3.040 2.694 3.306 0.006 9 0 "[ . 1 . 2 . 3]" 1
30 1 22 SER H 1 22 SER HB2 0.000 . 3.300 3.065 2.700 3.311 0.011 21 0 "[ . 1 . 2 . 3]" 1
31 1 23 TYR HB3 1 23 TYR QD 0.000 . 3.300 2.357 2.317 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 23 TYR HB2 1 23 TYR QD 0.000 . 3.300 2.488 2.413 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 23 TYR HB3 1 23 TYR QE 0.000 . 5.000 4.432 4.420 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 23 TYR HB2 1 23 TYR QE 0.000 . 5.000 4.469 4.450 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 23 TYR H 1 23 TYR QD 0.000 . 3.300 2.703 1.959 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 24 PHE HB3 1 24 PHE QD 0.000 . 3.300 2.336 2.315 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 24 PHE HB2 1 24 PHE QD 0.000 . 3.300 2.526 2.457 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 24 PHE HB3 1 24 PHE QE 0.000 . 5.000 4.425 4.418 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 24 PHE HB2 1 24 PHE QE 0.000 . 5.000 4.477 4.458 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 24 PHE H 1 24 PHE QD 0.000 . 3.300 3.081 2.840 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 24 PHE H 1 24 PHE QE 0.000 . 5.000 4.548 4.332 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 25 GLU H 1 25 GLU QB 0.000 . 3.300 2.418 2.052 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 25 GLU H 1 25 GLU QG 0.000 . 3.300 2.240 1.837 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 26 THR H 1 26 THR MG 0.000 . 2.700 2.056 1.838 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 27 SER H 1 27 SER QB 0.000 . 3.300 2.429 2.309 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 28 SER H 1 28 SER HB2 0.000 . 2.700 2.809 2.055 3.534 0.834 18 11 "[ *.* *1 ** + 2* -** *]" 1
47 1 29 GLU HA 1 29 GLU HG3 0.000 . 3.300 2.583 1.958 3.485 0.185 8 0 "[ . 1 . 2 . 3]" 1
48 1 29 GLU H 1 29 GLU HB3 0.000 . 3.300 2.804 2.250 3.353 0.053 15 0 "[ . 1 . 2 . 3]" 1
49 1 29 GLU H 1 29 GLU HB2 0.000 . 3.300 2.170 1.946 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 3 ALA H 1 3 ALA MB 0.000 . 3.300 2.456 1.913 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 30 CYS H 1 30 CYS HB3 0.000 . 3.300 3.282 3.175 3.483 0.183 10 0 "[ . 1 . 2 . 3]" 1
52 1 30 CYS H 1 30 CYS HB2 0.000 . 2.700 2.002 1.944 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 31 SER H 1 31 SER QB 0.000 . 3.300 2.206 1.926 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 32 LYS H 1 32 LYS QB 0.000 . 3.300 2.722 2.235 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 32 LYS H 1 32 LYS HG3 0.000 . 5.000 4.057 2.621 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 32 LYS H 1 32 LYS HG2 0.000 . 5.000 3.960 1.991 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 34 GLY H 1 34 GLY HA2 0.000 . 2.700 2.711 2.587 2.781 0.081 15 0 "[ . 1 . 2 . 3]" 1
58 1 35 VAL H 1 35 VAL HB 0.000 . 3.300 2.654 2.193 3.335 0.035 13 0 "[ . 1 . 2 . 3]" 1
59 1 35 VAL H 1 35 VAL QG 0.000 . 3.300 2.421 1.772 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 36 ILE HA 1 36 ILE MG 0.000 . 3.300 2.581 2.490 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 36 ILE H 1 36 ILE HB 0.000 . 3.300 2.223 2.142 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 36 ILE H 1 36 ILE MD 0.000 . 5.000 4.075 3.994 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 36 ILE H 1 36 ILE QG 0.000 . 3.300 2.920 2.758 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 37 PHE HA 1 37 PHE QD 0.000 . 3.300 3.040 2.913 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 37 PHE HB3 1 37 PHE QD 0.000 . 2.700 2.361 2.321 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 37 PHE HB2 1 37 PHE QD 0.000 . 3.300 2.493 2.411 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 37 PHE HB3 1 37 PHE QE 0.000 . 5.000 4.433 4.416 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 37 PHE H 1 37 PHE HB2 0.000 . 2.700 2.284 2.195 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 37 PHE H 1 37 PHE QD 0.000 . 3.300 2.110 1.856 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 38 LEU H 1 38 LEU QB 0.000 . 3.300 2.138 2.038 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 38 LEU H 1 38 LEU QD 0.000 . 5.000 3.279 2.733 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 38 LEU H 1 38 LEU HG 0.000 . 5.000 4.130 2.583 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 39 THR HG1 1 39 THR MG 0.000 . 3.300 2.821 2.577 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 39 THR H 1 39 THR HG1 0.000 . 5.000 3.669 3.566 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 39 THR H 1 39 THR MG 0.000 . 3.300 2.039 1.833 2.113 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 4 ALA H 1 4 ALA MB 0.000 . 3.300 2.385 1.913 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 40 LYS H 1 40 LYS HB2 0.000 . 3.300 2.266 1.932 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 40 LYS H 1 40 LYS HB3 0.000 . 3.300 2.693 2.271 3.362 0.062 8 0 "[ . 1 . 2 . 3]" 1
79 1 40 LYS H 1 40 LYS HD3 0.000 . 5.000 4.701 4.025 5.005 0.005 24 0 "[ . 1 . 2 . 3]" 1
80 1 40 LYS H 1 40 LYS HD2 0.000 . 5.000 4.701 3.319 5.014 0.014 26 0 "[ . 1 . 2 . 3]" 1
81 1 40 LYS H 1 40 LYS HG3 0.000 . 5.000 4.140 2.999 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 40 LYS H 1 40 LYS HG2 0.000 . 5.000 4.372 3.597 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 41 LYS H 1 41 LYS HB3 0.000 . 3.300 2.941 2.377 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 41 LYS H 1 41 LYS HB2 0.000 . 3.300 2.084 1.941 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 41 LYS H 1 41 LYS HG2 0.000 . 5.000 4.274 3.419 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 42 GLY H 1 42 GLY HA2 0.000 . 2.700 2.406 2.380 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 43 ARG H 1 43 ARG HB3 0.000 . 3.300 3.167 2.929 3.353 0.053 13 0 "[ . 1 . 2 . 3]" 1
88 1 43 ARG H 1 43 ARG HB2 0.000 . 3.300 2.738 2.037 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 43 ARG H 1 43 ARG HG3 0.000 . 5.000 4.534 3.812 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 43 ARG H 1 43 ARG HG2 0.000 . 5.000 4.777 4.310 5.039 0.039 14 0 "[ . 1 . 2 . 3]" 1
91 1 44 GLN HE21 1 44 GLN HG3 0.000 . 3.300 2.981 2.246 3.621 0.321 20 0 "[ . 1 . 2 . 3]" 1
92 1 44 GLN H 1 44 GLN QB 0.000 . 3.300 2.906 2.456 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 44 GLN H 1 44 GLN HG3 0.000 . 3.300 2.759 1.902 3.418 0.118 20 0 "[ . 1 . 2 . 3]" 1
94 1 44 GLN H 1 44 GLN HG2 0.000 . 5.000 3.010 1.846 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 45 VAL HA 1 45 VAL MG1 0.000 . 3.300 2.407 2.196 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 45 VAL HA 1 45 VAL MG2 0.000 . 3.300 2.214 2.080 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 45 VAL H 1 45 VAL HB 0.000 . 3.300 2.386 2.268 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 45 VAL H 1 45 VAL MG2 0.000 . 3.300 2.801 2.514 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 46 CYS H 1 46 CYS HB2 0.000 . 2.700 2.339 2.137 2.709 0.009 7 0 "[ . 1 . 2 . 3]" 1
100 1 47 ALA H 1 47 ALA MB 0.000 . 2.700 2.397 2.240 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 48 LYS H 1 48 LYS HB3 0.000 . 3.300 3.251 2.706 3.345 0.045 20 0 "[ . 1 . 2 . 3]" 1
102 1 48 LYS H 1 48 LYS HB2 0.000 . 3.300 2.003 1.927 3.486 0.186 29 0 "[ . 1 . 2 . 3]" 1
103 1 48 LYS H 1 48 LYS HG3 0.000 . 5.000 3.421 3.011 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 48 LYS H 1 48 LYS HG2 0.000 . 5.000 4.088 1.887 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 50 SER HA 1 50 SER HB3 0.000 . 2.700 2.492 2.274 2.705 0.005 16 0 "[ . 1 . 2 . 3]" 1
106 1 50 SER H 1 50 SER HB2 0.000 . 3.300 2.625 2.149 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 51 GLY H 1 51 GLY HA2 0.000 . 2.700 2.832 2.762 2.908 0.208 25 0 "[ . 1 . 2 . 3]" 1
108 1 54 VAL HA 1 54 VAL MG1 0.000 . 3.300 2.499 2.336 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 54 VAL HA 1 54 VAL MG2 0.000 . 3.300 2.297 2.161 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 54 VAL H 1 54 VAL HB 0.000 . 2.700 2.294 2.161 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 55 GLN H 1 55 GLN HB3 0.000 . 3.300 2.895 2.291 3.305 0.005 23 0 "[ . 1 . 2 . 3]" 1
112 1 55 GLN H 1 55 GLN HB2 0.000 . 2.700 2.145 1.952 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 55 GLN H 1 55 GLN HG3 0.000 . 5.000 4.220 3.578 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 55 GLN H 1 55 GLN HG2 0.000 . 5.000 4.249 3.237 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 56 ASP HA 1 56 ASP HB3 0.000 . 2.700 2.928 2.730 3.042 0.342 16 0 "[ . 1 . 2 . 3]" 1
116 1 56 ASP H 1 56 ASP HB3 0.000 . 3.300 2.830 2.204 3.359 0.059 11 0 "[ . 1 . 2 . 3]" 1
117 1 56 ASP H 1 56 ASP HB2 0.000 . 2.700 2.224 1.973 2.718 0.018 20 0 "[ . 1 . 2 . 3]" 1
118 1 58 MET HA 1 58 MET HG2 0.000 . 3.300 2.654 2.317 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 59 LYS H 1 59 LYS HB3 0.000 . 3.300 2.949 2.456 3.361 0.061 5 0 "[ . 1 . 2 . 3]" 1
120 1 59 LYS H 1 59 LYS HB2 0.000 . 3.300 2.087 1.935 2.437 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 59 LYS H 1 59 LYS HD3 0.000 . 5.000 4.537 3.141 5.022 0.022 14 0 "[ . 1 . 2 . 3]" 1
122 1 59 LYS H 1 59 LYS HD2 0.000 . 5.000 4.417 3.241 5.025 0.025 30 0 "[ . 1 . 2 . 3]" 1
123 1 59 LYS H 1 59 LYS QG 0.000 . 5.000 3.662 2.906 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 6 CYS H 1 6 CYS HB2 0.000 . 3.300 2.603 2.098 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 60 LYS HA 1 60 LYS QD 0.000 . 3.300 2.150 1.829 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 60 LYS H 1 60 LYS QB 0.000 . 2.700 2.072 1.928 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 60 LYS H 1 60 LYS QG 0.000 . 5.000 3.460 1.959 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 61 LEU H 1 61 LEU QB 0.000 . 3.300 2.064 1.936 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 61 LEU H 1 61 LEU QD 0.000 . 5.000 2.668 2.164 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 61 LEU H 1 61 LEU HG 0.000 . 5.000 3.677 2.073 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 62 LYS H 1 62 LYS QB 0.000 . 2.700 2.371 1.947 2.745 0.045 21 0 "[ . 1 . 2 . 3]" 1
132 1 62 LYS H 1 62 LYS QG 0.000 . 5.000 3.748 2.213 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 64 TYR HA 1 64 TYR QD 0.000 . 3.300 2.568 1.983 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 64 TYR HB3 1 64 TYR QD 0.000 . 3.300 2.528 2.302 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 64 TYR HB2 1 64 TYR QD 0.000 . 3.300 2.405 2.298 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 64 TYR H 1 64 TYR QD 0.000 . 5.000 3.878 2.548 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 7 CYS H 1 7 CYS HB2 0.000 . 3.300 2.210 2.035 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 7 CYS H 1 7 CYS HB3 0.000 . 3.300 3.362 3.155 3.533 0.233 28 0 "[ . 1 . 2 . 3]" 1
139 1 9 SER H 1 9 SER QB 0.000 . 3.300 2.833 2.354 3.303 0.003 8 0 "[ . 1 . 2 . 3]" 1
140 1 10 TYR HA 1 11 ILE MD 0.000 . 5.000 3.586 3.219 5.038 0.038 19 0 "[ . 1 . 2 . 3]" 1
141 1 9 SER QB 1 10 TYR H 0.000 . 3.300 2.756 1.842 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 10 TYR HA 1 11 ILE H 0.000 . 2.700 2.515 2.320 2.736 0.036 19 0 "[ . 1 . 2 . 3]" 1
143 1 10 TYR HB3 1 11 ILE H 0.000 . 3.300 2.468 1.939 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 10 TYR HB2 1 11 ILE H 0.000 . 5.000 3.543 3.113 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 10 TYR QD 1 11 ILE H 0.000 . 5.000 3.807 3.620 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 10 TYR H 1 11 ILE H 0.000 . 5.000 4.500 4.377 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 12 SER HB3 1 13 GLN QG 0.000 . 5.000 4.853 3.643 5.951 0.951 18 3 "[- . 1 . + 2 * . 3]" 1
148 1 11 ILE HA 1 12 SER H 0.000 . 2.700 2.504 2.378 2.759 0.059 30 0 "[ . 1 . 2 . 3]" 1
149 1 11 ILE HB 1 12 SER H 0.000 . 3.300 2.607 2.205 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 11 ILE HG12 1 12 SER H 0.000 . 3.300 3.147 2.405 3.924 0.624 19 1 "[ . 1 . +2 . 3]" 1
151 1 12 SER H 1 13 GLN H 0.000 . 2.700 2.324 2.112 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 12 SER HA 1 13 GLN H 0.000 . 3.300 3.330 3.231 3.464 0.164 30 0 "[ . 1 . 2 . 3]" 1
153 1 12 SER HB3 1 13 GLN H 0.000 . 5.000 4.333 3.644 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 13 GLN HA 1 14 SER H 0.000 . 2.700 2.652 2.477 2.776 0.076 28 0 "[ . 1 . 2 . 3]" 1
155 1 13 GLN QG 1 14 SER H 0.000 . 5.000 3.289 2.735 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 13 GLN H 1 14 SER H 0.000 . 5.000 4.393 4.324 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 14 SER H 1 15 ILE H 0.000 . 5.000 4.689 4.660 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 15 ILE HA 1 16 PRO HD2 0.000 . 2.700 2.318 2.252 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 15 ILE HA 1 16 PRO HG2 0.000 . 5.000 4.393 4.364 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 15 ILE HA 1 16 PRO HG3 0.000 . 5.000 4.261 4.204 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 14 SER HA 1 15 ILE H 0.000 . 2.700 2.304 2.246 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 14 SER HB3 1 15 ILE H 0.000 . 5.000 3.557 2.853 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 14 SER HB2 1 15 ILE H 0.000 . 5.000 3.909 2.829 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 15 ILE H 1 16 PRO HD3 0.000 . 5.000 4.741 4.625 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 15 ILE H 1 16 PRO HD2 0.000 . 5.000 4.996 4.935 5.045 0.045 23 0 "[ . 1 . 2 . 3]" 1
166 1 15 ILE MD 1 16 PRO HD3 0.000 . 3.300 3.021 2.711 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 15 ILE MG 1 16 PRO HD3 0.000 . 3.300 3.312 3.193 3.365 0.065 27 0 "[ . 1 . 2 . 3]" 1
168 1 15 ILE MD 1 16 PRO HD2 0.000 . 3.300 2.370 2.041 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 15 ILE MG 1 16 PRO HD2 0.000 . 3.300 2.071 1.935 2.177 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 16 PRO HA 1 17 CYS H 0.000 . 2.700 2.477 2.373 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 16 PRO HG2 1 17 CYS H 0.000 . 5.000 4.979 4.768 5.046 0.046 10 0 "[ . 1 . 2 . 3]" 1
172 1 17 CYS HB3 1 18 SER H 0.000 . 5.000 3.806 3.174 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 17 CYS HB2 1 18 SER H 0.000 . 3.300 2.935 2.634 3.504 0.204 2 0 "[ . 1 . 2 . 3]" 1
174 1 17 CYS H 1 18 SER H 0.000 . 2.700 2.649 2.613 2.706 0.006 27 0 "[ . 1 . 2 . 3]" 1
175 1 18 SER H 1 19 LEU H 0.000 . 3.300 2.778 2.511 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 18 SER HA 1 19 LEU H 0.000 . 3.300 3.327 3.247 3.442 0.142 21 0 "[ . 1 . 2 . 3]" 1
177 1 19 LEU H 1 20 MET HG2 0.000 . 5.000 2.492 2.178 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 2 PHE QD 1 3 ALA HA 0.000 . 5.000 4.371 3.122 5.008 0.008 23 0 "[ . 1 . 2 . 3]" 1
179 1 1 HIS HA 1 2 PHE H 0.000 . 3.300 2.543 2.210 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 2 PHE H 1 3 ALA H 0.000 . 5.000 4.113 2.679 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 19 LEU H 1 20 MET H 0.000 . 3.300 2.240 1.834 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 20 MET HA 1 21 LYS H 0.000 . 2.700 2.212 2.168 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 20 MET HB2 1 21 LYS H 0.000 . 5.000 3.902 3.479 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 20 MET HB3 1 21 LYS H 0.000 . 3.300 3.331 3.221 3.418 0.118 4 0 "[ . 1 . 2 . 3]" 1
185 1 21 LYS H 1 22 SER H 0.000 . 2.700 2.264 2.201 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 21 LYS QG 1 22 SER H 0.000 . 3.300 2.654 1.856 3.338 0.038 11 0 "[ . 1 . 2 . 3]" 1
187 1 23 TYR QD 1 24 PHE HA 0.000 . 3.300 2.991 2.790 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 23 TYR QE 1 24 PHE HA 0.000 . 5.000 3.980 3.819 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 23 TYR HA 1 24 PHE QD 0.000 . 5.000 3.810 3.492 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 23 TYR HA 1 24 PHE H 0.000 . 2.700 2.398 2.330 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 23 TYR HB3 1 24 PHE H 0.000 . 5.000 4.150 3.985 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 23 TYR HB2 1 24 PHE H 0.000 . 3.300 2.911 2.617 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 23 TYR QD 1 24 PHE H 0.000 . 3.300 3.116 2.718 3.315 0.015 14 0 "[ . 1 . 2 . 3]" 1
194 1 23 TYR H 1 24 PHE H 0.000 . 5.000 4.480 4.376 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 24 PHE HA 1 25 GLU H 0.000 . 2.700 2.284 2.239 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 24 PHE HB3 1 25 GLU H 0.000 . 5.000 4.258 4.094 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 24 PHE HB2 1 25 GLU H 0.000 . 3.300 3.098 2.831 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 24 PHE QD 1 25 GLU H 0.000 . 5.000 3.070 2.930 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 25 GLU H 1 26 THR H 0.000 . 5.000 4.607 4.586 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 26 THR HA 1 27 SER QB 0.000 . 5.000 4.650 3.986 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 25 GLU HA 1 26 THR H 0.000 . 2.700 2.289 2.245 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 25 GLU QB 1 26 THR H 0.000 . 3.300 3.031 2.738 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 25 GLU QG 1 26 THR H 0.000 . 5.000 3.988 3.641 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 26 THR HA 1 27 SER H 0.000 . 2.700 2.633 2.403 2.743 0.043 27 0 "[ . 1 . 2 . 3]" 1
205 1 26 THR HB 1 27 SER H 0.000 . 2.700 2.267 2.067 2.717 0.017 26 0 "[ . 1 . 2 . 3]" 1
206 1 26 THR MG 1 27 SER H 0.000 . 5.000 3.757 3.539 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 27 SER HA 1 28 SER H 0.000 . 3.300 2.301 2.238 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 27 SER QB 1 28 SER H 0.000 . 3.300 3.021 2.484 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 28 SER H 1 29 GLU H 0.000 . 2.700 2.632 2.484 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 28 SER HA 1 29 GLU H 0.000 . 3.300 3.373 3.351 3.431 0.131 14 0 "[ . 1 . 2 . 3]" 1
211 1 29 GLU H 1 30 CYS H 0.000 . 2.700 2.517 2.486 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 2 PHE HA 1 3 ALA H 0.000 . 2.700 2.388 2.208 2.727 0.027 1 0 "[ . 1 . 2 . 3]" 1
213 1 30 CYS HA 1 31 SER HA 0.000 . 5.000 4.421 4.399 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 29 GLU HG3 1 30 CYS H 0.000 . 5.000 5.011 4.463 5.497 0.497 24 0 "[ . 1 . 2 . 3]" 1
215 1 30 CYS HA 1 31 SER H 0.000 . 2.700 2.314 2.224 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 30 CYS HB3 1 31 SER H 0.000 . 3.300 3.176 2.796 3.381 0.081 14 0 "[ . 1 . 2 . 3]" 1
217 1 30 CYS HB2 1 31 SER H 0.000 . 5.000 4.273 3.951 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 30 CYS H 1 31 SER H 0.000 . 5.000 4.665 4.629 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 31 SER H 1 32 LYS H 0.000 . 3.300 2.684 2.618 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 32 LYS HA 1 33 PRO HD3 0.000 . 2.700 2.303 2.158 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 32 LYS HA 1 33 PRO HD2 0.000 . 2.700 2.103 1.981 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 31 SER HA 1 32 LYS H 0.000 . 3.300 3.411 3.377 3.533 0.233 26 0 "[ . 1 . 2 . 3]" 1
223 1 31 SER QB 1 32 LYS H 0.000 . 3.300 3.101 2.689 3.390 0.090 23 0 "[ . 1 . 2 . 3]" 1
224 1 33 PRO HB3 1 34 GLY H 0.000 . 3.300 3.319 3.246 3.372 0.072 27 0 "[ . 1 . 2 . 3]" 1
225 1 33 PRO HB2 1 34 GLY H 0.000 . 3.300 2.214 1.971 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 34 GLY HA2 1 35 VAL H 0.000 . 2.700 2.374 2.233 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 34 GLY H 1 35 VAL H 0.000 . 5.000 4.235 4.014 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 35 VAL HA 1 36 ILE H 0.000 . 2.700 2.225 2.208 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 35 VAL QG 1 36 ILE H 0.000 . 3.300 2.829 2.441 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 36 ILE HA 1 37 PHE QD 0.000 . 5.000 3.158 2.801 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 36 ILE HA 1 37 PHE H 0.000 . 2.700 2.220 2.202 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 36 ILE MD 1 37 PHE H 0.000 . 5.000 4.809 4.592 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 36 ILE MG 1 37 PHE H 0.000 . 3.300 2.750 2.366 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 36 ILE H 1 37 PHE H 0.000 . 5.000 4.495 4.452 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 37 PHE HA 1 38 LEU H 0.000 . 2.700 2.251 2.237 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 37 PHE HB3 1 38 LEU H 0.000 . 3.300 3.282 3.209 3.329 0.029 4 0 "[ . 1 . 2 . 3]" 1
237 1 37 PHE HB2 1 38 LEU H 0.000 . 5.000 4.240 4.168 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 37 PHE QD 1 38 LEU H 0.000 . 5.000 4.237 3.973 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 38 LEU HA 1 39 THR H 0.000 . 2.700 2.211 2.194 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 38 LEU QD 1 39 THR H 0.000 . 3.300 2.785 1.916 3.310 0.010 19 0 "[ . 1 . 2 . 3]" 1
241 1 38 LEU H 1 39 THR H 0.000 . 5.000 4.431 4.375 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 3 ALA MB 1 4 ALA H 0.000 . 3.300 2.540 1.828 3.310 0.010 15 0 "[ . 1 . 2 . 3]" 1
243 1 39 THR HA 1 40 LYS H 0.000 . 2.700 2.286 2.239 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 39 THR HB 1 40 LYS H 0.000 . 3.300 3.041 2.711 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 39 THR HG1 1 40 LYS H 0.000 . 5.000 3.950 3.691 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 40 LYS H 1 41 LYS H 0.000 . 3.300 2.625 2.586 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 40 LYS HA 1 41 LYS H 0.000 . 5.000 3.515 3.478 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 40 LYS HB3 1 41 LYS H 0.000 . 3.300 2.938 2.760 3.404 0.104 8 0 "[ . 1 . 2 . 3]" 1
249 1 41 LYS HA 1 42 GLY H 0.000 . 3.300 3.364 3.335 3.439 0.139 24 0 "[ . 1 . 2 . 3]" 1
250 1 41 LYS H 1 42 GLY H 0.000 . 2.700 2.630 2.536 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 42 GLY HA3 1 43 ARG H 0.000 . 5.000 3.569 3.415 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 42 GLY HA2 1 43 ARG H 0.000 . 5.000 2.688 2.561 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 43 ARG HA 1 44 GLN HA 0.000 . 5.000 4.586 4.476 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 44 GLN HA 1 45 VAL MG2 0.000 . 5.000 3.726 3.145 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 43 ARG HA 1 44 GLN H 0.000 . 2.700 2.539 2.216 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 44 GLN HA 1 45 VAL H 0.000 . 2.700 2.227 2.200 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 44 GLN QB 1 45 VAL H 0.000 . 3.300 3.147 2.875 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 44 GLN H 1 45 VAL H 0.000 . 5.000 4.328 4.254 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 46 CYS HA 1 47 ALA MB 0.000 . 5.000 3.921 3.851 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 45 VAL HA 1 46 CYS H 0.000 . 2.700 2.412 2.282 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 45 VAL MG1 1 46 CYS H 0.000 . 3.300 1.981 1.768 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 45 VAL MG2 1 46 CYS H 0.000 . 5.000 3.795 3.585 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 46 CYS HA 1 47 ALA H 0.000 . 2.700 2.225 2.200 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 46 CYS HB3 1 47 ALA H 0.000 . 5.000 3.650 3.413 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 47 ALA HA 1 48 LYS H 0.000 . 2.700 2.360 2.316 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 47 ALA MB 1 48 LYS H 0.000 . 2.700 2.719 2.585 2.775 0.075 18 0 "[ . 1 . 2 . 3]" 1
267 1 4 ALA MB 1 5 ASP H 0.000 . 3.300 2.598 1.880 3.325 0.025 11 0 "[ . 1 . 2 . 3]" 1
268 1 49 PRO HB3 1 50 SER H 0.000 . 5.000 4.106 3.983 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 49 PRO HB2 1 50 SER H 0.000 . 3.300 3.258 3.046 3.329 0.029 25 0 "[ . 1 . 2 . 3]" 1
270 1 49 PRO HG3 1 50 SER H 0.000 . 5.000 3.824 3.652 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 50 SER HA 1 51 GLY H 0.000 . 3.300 2.948 2.799 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 50 SER H 1 51 GLY H 0.000 . 2.700 2.570 2.374 2.709 0.009 8 0 "[ . 1 . 2 . 3]" 1
273 1 51 GLY H 1 52 PRO QD 0.000 . 5.000 4.349 4.305 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 52 PRO HA 1 53 GLY H 0.000 . 2.700 2.326 2.214 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 52 PRO HB3 1 53 GLY H 0.000 . 5.000 4.458 4.203 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 52 PRO HB2 1 53 GLY H 0.000 . 5.000 4.127 3.778 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 53 GLY H 1 54 VAL H 0.000 . 3.300 2.398 2.125 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 53 GLY HA3 1 54 VAL H 0.000 . 3.300 3.015 2.929 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 54 VAL HA 1 55 GLN H 0.000 . 5.000 3.570 3.560 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 54 VAL HB 1 55 GLN H 0.000 . 2.700 2.523 2.345 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 54 VAL MG1 1 55 GLN H 0.000 . 3.300 3.222 2.988 3.337 0.037 28 0 "[ . 1 . 2 . 3]" 1
282 1 54 VAL MG2 1 55 GLN H 0.000 . 5.000 3.890 3.688 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 54 VAL H 1 55 GLN H 0.000 . 2.700 2.728 2.706 2.752 0.052 15 0 "[ . 1 . 2 . 3]" 1
284 1 55 GLN H 1 56 ASP H 0.000 . 2.700 2.549 2.501 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 55 GLN HA 1 56 ASP H 0.000 . 5.000 3.515 3.473 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 55 GLN HB3 1 56 ASP H 0.000 . 3.300 2.945 2.468 3.303 0.003 22 0 "[ . 1 . 2 . 3]" 1
287 1 56 ASP H 1 57 CYS H 0.000 . 2.700 2.569 2.514 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 56 ASP HA 1 57 CYS H 0.000 . 5.000 3.554 3.501 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 56 ASP HB2 1 57 CYS H 0.000 . 3.300 3.464 2.781 4.106 0.806 20 9 "[ -*. * 1 **.* * + . *3]" 1
290 1 57 CYS H 1 58 MET H 0.000 . 2.700 2.671 2.561 2.721 0.021 13 0 "[ . 1 . 2 . 3]" 1
291 1 58 MET H 1 59 LYS H 0.000 . 2.700 2.579 2.532 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 58 MET HA 1 59 LYS H 0.000 . 5.000 3.511 3.472 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 5 ASP HA 1 6 CYS H 0.000 . 2.700 2.366 2.217 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 59 LYS HB3 1 60 LYS H 0.000 . 3.300 2.515 2.088 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 59 LYS H 1 60 LYS H 0.000 . 2.700 2.679 2.556 2.776 0.076 11 0 "[ . 1 . 2 . 3]" 1
296 1 60 LYS HA 1 61 LEU H 0.000 . 5.000 3.511 3.444 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 60 LYS H 1 61 LEU H 0.000 . 2.700 2.553 2.521 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 62 LYS HA 1 63 PRO HD2 0.000 . 2.700 2.119 1.983 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 62 LYS HA 1 63 PRO HD3 0.000 . 2.700 2.446 2.135 2.742 0.042 21 0 "[ . 1 . 2 . 3]" 1
300 1 61 LEU HA 1 62 LYS H 0.000 . 3.300 3.302 2.935 3.366 0.066 26 0 "[ . 1 . 2 . 3]" 1
301 1 61 LEU QD 1 62 LYS H 0.000 . 5.000 4.067 3.822 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 61 LEU H 1 62 LYS H 0.000 . 3.300 2.658 2.560 3.250 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 62 LYS H 1 63 PRO HD2 0.000 . 5.000 4.541 3.789 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 63 PRO HD2 1 64 TYR QD 0.000 . 5.000 4.306 2.498 5.014 0.014 25 0 "[ . 1 . 2 . 3]" 1
305 1 63 PRO HA 1 64 TYR H 0.000 . 2.700 2.391 2.215 2.709 0.009 28 0 "[ . 1 . 2 . 3]" 1
306 1 64 TYR H 1 65 SER H 0.000 . 3.300 2.580 1.870 3.304 0.004 22 0 "[ . 1 . 2 . 3]" 1
307 1 64 TYR HA 1 65 SER H 0.000 . 3.300 2.890 2.402 3.470 0.170 26 0 "[ . 1 . 2 . 3]" 1
308 1 64 TYR HB3 1 65 SER H 0.000 . 5.000 4.151 1.850 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 64 TYR HB2 1 65 SER H 0.000 . 5.000 4.251 2.418 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 64 TYR QD 1 65 SER H 0.000 . 5.000 4.636 3.887 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 65 SER HA 1 66 ILE H 0.000 . 2.700 2.373 2.210 2.709 0.009 27 0 "[ . 1 . 2 . 3]" 1
312 1 7 CYS HA 1 8 THR MG 0.000 . 5.000 3.822 3.144 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 6 CYS HA 1 7 CYS H 0.000 . 2.700 2.329 2.209 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 6 CYS HB3 1 7 CYS H 0.000 . 3.300 3.009 2.476 3.370 0.070 28 0 "[ . 1 . 2 . 3]" 1
315 1 7 CYS HA 1 8 THR H 0.000 . 2.700 2.259 2.217 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 7 CYS HB3 1 8 THR H 0.000 . 3.300 3.296 3.084 3.351 0.051 23 0 "[ . 1 . 2 . 3]" 1
317 1 8 THR H 1 9 SER H 0.000 . 2.700 2.101 2.013 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 8 THR MG 1 9 SER H 0.000 . 5.000 3.391 2.008 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 61 LEU QB 1 62 LYS H 0.000 . 5.000 3.357 3.198 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 7 CYS HB2 1 10 TYR QD 0.000 . 5.000 4.543 3.913 5.009 0.009 16 0 "[ . 1 . 2 . 3]" 1
321 1 7 CYS HB2 1 10 TYR QE 0.000 . 3.300 3.316 3.168 3.365 0.065 17 0 "[ . 1 . 2 . 3]" 1
322 1 11 ILE HB 1 15 ILE MD 0.000 . 5.000 3.498 3.200 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 11 ILE MD 1 15 ILE MD 0.000 . 3.300 2.088 1.617 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 11 ILE MD 1 15 ILE HG13 0.000 . 5.000 3.554 2.955 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 11 ILE MD 1 15 ILE MG 0.000 . 5.000 4.419 3.464 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 11 ILE MG 1 15 ILE MD 0.000 . 3.300 1.766 1.597 2.108 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 11 ILE MG 1 15 ILE MG 0.000 . 5.000 3.785 3.557 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 11 ILE MG 1 13 GLN QG 0.000 . 5.000 4.468 4.117 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 11 ILE HB 1 13 GLN H 0.000 . 3.300 2.909 2.743 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 11 ILE MD 1 13 GLN H 0.000 . 5.000 3.705 3.374 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 11 ILE HG12 1 13 GLN H 0.000 . 3.300 1.995 1.847 3.389 0.089 19 0 "[ . 1 . 2 . 3]" 1
332 1 11 ILE HG13 1 13 GLN H 0.000 . 3.300 2.993 1.803 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 11 ILE MG 1 13 GLN H 0.000 . 5.000 4.256 4.175 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 11 ILE MG 1 15 ILE HA 0.000 . 3.300 3.363 3.295 3.402 0.102 23 0 "[ . 1 . 2 . 3]" 1
335 1 16 PRO HA 1 19 LEU QD 0.000 . 5.000 4.486 3.307 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 17 CYS HA 1 20 MET HG2 0.000 . 3.300 2.815 2.057 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 17 CYS HA 1 20 MET HG3 0.000 . 3.300 2.429 1.843 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 15 ILE MG 1 17 CYS HB2 0.000 . 5.000 4.472 3.526 5.061 0.061 22 0 "[ . 1 . 2 . 3]" 1
339 1 15 ILE MG 1 17 CYS H 0.000 . 3.300 3.048 2.402 3.347 0.047 26 0 "[ . 1 . 2 . 3]" 1
340 1 16 PRO HA 1 18 SER H 0.000 . 3.300 3.293 3.066 3.429 0.129 9 0 "[ . 1 . 2 . 3]" 1
341 1 16 PRO HG2 1 19 LEU H 0.000 . 5.000 4.499 3.938 5.038 0.038 1 0 "[ . 1 . 2 . 3]" 1
342 1 15 ILE MD 1 20 MET ME 0.000 . 2.700 2.721 2.583 2.769 0.069 3 0 "[ . 1 . 2 . 3]" 1
343 1 15 ILE HG13 1 20 MET ME 0.000 . 5.000 4.532 4.311 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 15 ILE MG 1 20 MET ME 0.000 . 2.700 1.965 1.779 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 15 ILE MG 1 20 MET HG2 0.000 . 5.000 4.012 3.634 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 15 ILE MG 1 20 MET HG3 0.000 . 5.000 2.950 2.675 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 17 CYS HA 1 20 MET H 0.000 . 5.000 3.639 2.842 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 20 MET HA 1 22 SER H 0.000 . 5.000 3.901 3.707 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 20 MET HB3 1 22 SER H 0.000 . 5.000 3.588 3.209 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 24 PHE QD 1 26 THR HA 0.000 . 3.300 3.352 3.327 3.409 0.109 27 0 "[ . 1 . 2 . 3]" 1
351 1 24 PHE QD 1 26 THR MG 0.000 . 5.000 3.785 3.513 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 24 PHE QE 1 26 THR HA 0.000 . 3.300 2.458 2.232 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 24 PHE QE 1 26 THR MG 0.000 . 3.300 2.503 2.055 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 24 PHE HZ 1 26 THR HA 0.000 . 5.000 4.804 4.538 5.011 0.011 27 0 "[ . 1 . 2 . 3]" 1
355 1 23 TYR QD 1 25 GLU H 0.000 . 5.000 4.209 4.028 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 27 SER H 1 30 CYS H 0.000 . 5.000 4.362 3.381 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 28 SER H 1 30 CYS H 0.000 . 5.000 4.450 4.129 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 27 SER QB 1 29 GLU H 0.000 . 3.300 2.529 2.391 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 27 SER QB 1 30 CYS H 0.000 . 3.300 3.180 3.036 3.314 0.014 27 0 "[ . 1 . 2 . 3]" 1
360 1 28 SER HA 1 30 CYS H 0.000 . 5.000 3.729 3.608 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 30 CYS HA 1 32 LYS H 0.000 . 5.000 3.842 3.667 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 30 CYS HB3 1 32 LYS H 0.000 . 3.300 2.296 2.156 3.316 0.016 26 0 "[ . 1 . 2 . 3]" 1
363 1 30 CYS HB2 1 32 LYS H 0.000 . 5.000 3.778 2.925 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 35 VAL QG 1 37 PHE QD 0.000 . 3.300 3.188 3.007 3.309 0.009 12 0 "[ . 1 . 2 . 3]" 1
365 1 35 VAL QG 1 37 PHE QE 0.000 . 3.300 2.369 2.147 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 35 VAL QG 1 37 PHE HZ 0.000 . 5.000 2.906 2.561 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 38 LEU HA 1 39 THR MG 0.000 . 5.000 3.357 3.203 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 39 THR HG1 1 41 LYS HB3 0.000 . 5.000 2.662 2.064 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 39 THR HG1 1 41 LYS HB2 0.000 . 3.300 2.975 2.165 3.730 0.430 14 0 "[ . 1 . 2 . 3]" 1
370 1 39 THR HG1 1 43 ARG HA 0.000 . 5.000 4.605 4.418 4.913 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 39 THR HG1 1 43 ARG HB3 0.000 . 3.300 2.973 2.488 3.308 0.008 20 0 "[ . 1 . 2 . 3]" 1
372 1 39 THR HG1 1 43 ARG HB2 0.000 . 3.300 2.453 2.074 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 39 THR HG1 1 43 ARG HG2 0.000 . 5.000 4.938 4.424 5.397 0.397 24 0 "[ . 1 . 2 . 3]" 1
374 1 39 THR H 1 42 GLY H 0.000 . 5.000 4.364 4.061 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 39 THR H 1 43 ARG H 0.000 . 3.300 2.911 2.715 3.341 0.041 5 0 "[ . 1 . 2 . 3]" 1
376 1 39 THR H 1 44 GLN HA 0.000 . 3.300 3.279 3.154 3.337 0.037 29 0 "[ . 1 . 2 . 3]" 1
377 1 40 LYS H 1 42 GLY H 0.000 . 5.000 4.136 4.068 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 39 THR HA 1 41 LYS H 0.000 . 5.000 3.988 3.819 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 39 THR HB 1 41 LYS H 0.000 . 3.300 3.027 2.911 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 39 THR HG1 1 41 LYS H 0.000 . 2.700 2.571 2.299 2.704 0.004 6 0 "[ . 1 . 2 . 3]" 1
381 1 39 THR MG 1 41 LYS H 0.000 . 5.000 4.436 4.343 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 39 THR HG1 1 42 GLY H 0.000 . 5.000 2.729 2.263 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 39 THR HB 1 43 ARG H 0.000 . 5.000 4.145 4.077 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 39 THR HG1 1 43 ARG H 0.000 . 2.700 2.631 2.425 2.718 0.018 18 0 "[ . 1 . 2 . 3]" 1
385 1 39 THR MG 1 43 ARG H 0.000 . 3.300 3.303 3.075 3.371 0.071 15 0 "[ . 1 . 2 . 3]" 1
386 1 48 LYS H 1 51 GLY HA2 0.000 . 5.000 4.708 4.339 5.142 0.142 26 0 "[ . 1 . 2 . 3]" 1
387 1 48 LYS H 1 51 GLY H 0.000 . 5.000 4.042 3.740 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 48 LYS HA 1 50 SER H 0.000 . 5.000 4.433 4.275 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 48 LYS HB3 1 50 SER H 0.000 . 5.000 2.516 2.338 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 48 LYS HG2 1 50 SER H 0.000 . 5.000 4.267 3.933 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 48 LYS HB3 1 51 GLY H 0.000 . 5.000 2.830 2.281 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 48 LYS HB2 1 51 GLY H 0.000 . 3.300 3.363 3.126 3.714 0.414 8 0 "[ . 1 . 2 . 3]" 1
393 1 49 PRO HA 1 51 GLY H 0.000 . 5.000 4.420 3.914 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 51 GLY H 1 54 VAL HB 0.000 . 3.300 3.089 2.537 3.313 0.013 26 0 "[ . 1 . 2 . 3]" 1
395 1 51 GLY H 1 54 VAL MG1 0.000 . 5.000 3.448 2.707 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 51 GLY H 1 54 VAL MG2 0.000 . 3.300 3.072 2.670 3.321 0.021 20 0 "[ . 1 . 2 . 3]" 1
397 1 51 GLY H 1 54 VAL H 0.000 . 5.000 4.614 4.333 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 54 VAL HA 1 57 CYS QB 0.000 . 3.300 2.858 2.424 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 54 VAL MG1 1 58 MET HG3 0.000 . 3.300 3.077 2.531 3.316 0.016 2 0 "[ . 1 . 2 . 3]" 1
400 1 55 GLN HA 1 58 MET ME 0.000 . 5.000 2.880 1.881 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 55 GLN HE21 1 58 MET ME 0.000 . 3.300 2.694 1.823 3.302 0.002 25 0 "[ . 1 . 2 . 3]" 1
402 1 56 ASP HA 1 59 LYS HB3 0.000 . 3.300 3.131 2.527 3.715 0.415 5 0 "[ . 1 . 2 . 3]" 1
403 1 56 ASP HA 1 59 LYS HB2 0.000 . 5.000 2.408 2.042 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 56 ASP HA 1 59 LYS HD2 0.000 . 5.000 4.057 2.262 5.992 0.992 22 1 "[ . 1 . 2 + . 3]" 1
405 1 56 ASP H 1 58 MET H 0.000 . 5.000 4.193 4.001 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 54 VAL HA 1 57 CYS H 0.000 . 3.300 3.398 3.360 3.422 0.122 15 0 "[ . 1 . 2 . 3]" 1
407 1 57 CYS H 1 59 LYS H 0.000 . 5.000 3.834 3.675 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 58 MET HA 1 61 LEU QD 0.000 . 5.000 2.772 2.214 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 54 VAL MG1 1 58 MET HG2 0.000 . 5.000 3.903 3.313 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 58 MET H 1 60 LYS H 0.000 . 5.000 4.458 4.056 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 56 ASP HA 1 59 LYS H 0.000 . 3.300 3.337 3.311 3.374 0.074 26 0 "[ . 1 . 2 . 3]" 1
412 1 58 MET HA 1 61 LEU H 0.000 . 3.300 3.211 3.122 3.334 0.034 4 0 "[ . 1 . 2 . 3]" 1
413 1 58 MET HB2 1 61 LEU H 0.000 . 5.000 5.255 5.065 5.364 0.364 16 0 "[ . 1 . 2 . 3]" 1
414 1 60 LYS QD 1 62 LYS H 0.000 . 5.000 4.742 4.313 5.023 0.023 15 0 "[ . 1 . 2 . 3]" 1
415 1 7 CYS HB3 1 9 SER H 0.000 . 3.300 3.098 2.585 3.313 0.013 17 0 "[ . 1 . 2 . 3]" 1
416 1 55 GLN HA 1 58 MET H 0.000 . 3.300 3.369 3.327 3.404 0.104 13 0 "[ . 1 . 2 . 3]" 1
417 1 58 MET HA 1 61 LEU HB2 0.000 . 3.300 2.137 1.829 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 55 GLN HA 1 58 MET HB3 0.000 . 5.000 4.439 4.094 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 10 TYR QD 1 34 GLY HA2 0.000 . 5.000 5.006 4.884 5.059 0.059 6 0 "[ . 1 . 2 . 3]" 1
420 1 10 TYR QD 1 34 GLY HA3 0.000 . 5.000 4.660 4.183 5.016 0.016 29 0 "[ . 1 . 2 . 3]" 1
421 1 10 TYR QD 1 46 CYS HA 0.000 . 5.000 3.929 3.542 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 10 TYR QD 1 46 CYS HB3 0.000 . 5.000 2.676 1.842 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 10 TYR QD 1 47 ALA HA 0.000 . 3.300 2.671 2.334 3.310 0.010 7 0 "[ . 1 . 2 . 3]" 1
424 1 10 TYR QD 1 48 LYS HG3 0.000 . 5.000 2.872 1.868 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 10 TYR QD 1 48 LYS HG2 0.000 . 5.000 3.910 2.945 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 10 TYR QE 1 34 GLY HA2 0.000 . 3.300 3.050 2.792 3.318 0.018 18 0 "[ . 1 . 2 . 3]" 1
427 1 10 TYR QE 1 34 GLY HA3 0.000 . 5.000 2.489 2.052 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 10 TYR QE 1 46 CYS HA 0.000 . 5.000 4.814 4.287 5.040 0.040 15 0 "[ . 1 . 2 . 3]" 1
429 1 10 TYR QE 1 46 CYS HB3 0.000 . 5.000 3.964 2.961 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 10 TYR QE 1 47 ALA HA 0.000 . 5.000 4.493 4.193 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 10 TYR QE 1 48 LYS QD 0.000 . 5.000 3.764 2.431 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 10 TYR QE 1 48 LYS HG3 0.000 . 5.000 2.996 1.999 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 10 TYR QE 1 48 LYS HG2 0.000 . 5.000 3.215 1.873 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 11 ILE MD 1 45 VAL MG1 0.000 . 3.300 3.315 2.988 3.372 0.072 26 0 "[ . 1 . 2 . 3]" 1
435 1 11 ILE H 1 47 ALA HA 0.000 . 3.300 3.012 2.426 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 17 CYS H 1 57 CYS QB 0.000 . 5.000 4.523 3.973 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 20 MET HB2 1 61 LEU QD 0.000 . 5.000 2.389 1.841 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 20 MET ME 1 39 THR MG 0.000 . 3.300 3.170 2.796 3.319 0.019 14 0 "[ . 1 . 2 . 3]" 1
439 1 20 MET ME 1 45 VAL MG1 0.000 . 3.300 2.441 2.112 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 20 MET ME 1 45 VAL MG2 0.000 . 3.300 1.797 1.627 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 20 MET H 1 39 THR HA 0.000 . 5.000 4.646 4.449 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 21 LYS H 1 38 LEU H 0.000 . 5.000 4.598 4.496 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 21 LYS H 1 39 THR HA 0.000 . 3.300 2.374 2.067 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 21 LYS H 1 40 LYS H 0.000 . 3.300 3.112 2.934 3.304 0.004 8 0 "[ . 1 . 2 . 3]" 1
445 1 22 SER H 1 61 LEU QD 0.000 . 3.300 3.018 2.595 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 23 TYR HA 1 35 VAL QG 0.000 . 5.000 4.100 3.760 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 23 TYR HA 1 37 PHE HA 0.000 . 2.700 1.948 1.842 2.091 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 23 TYR HA 1 38 LEU QD 0.000 . 5.000 4.326 3.623 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 23 TYR HB3 1 35 VAL QG 0.000 . 5.000 4.111 3.790 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 23 TYR HB3 1 61 LEU QD 0.000 . 5.000 2.272 1.831 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 23 TYR HB2 1 35 VAL QG 0.000 . 3.300 2.794 2.508 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 23 TYR QD 1 35 VAL QG 0.000 . 3.300 2.762 2.019 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 23 TYR QD 1 58 MET HA 0.000 . 5.000 2.332 2.053 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 23 TYR QD 1 58 MET ME 0.000 . 5.000 3.254 2.181 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 23 TYR QD 1 58 MET HG3 0.000 . 5.000 4.231 3.722 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 23 TYR QD 1 61 LEU HG 0.000 . 3.300 3.024 1.858 3.331 0.031 7 0 "[ . 1 . 2 . 3]" 1
457 1 23 TYR QD 1 61 LEU QD 0.000 . 3.300 1.971 1.751 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 23 TYR QE 1 35 VAL QG 0.000 . 5.000 4.055 3.159 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 23 TYR QE 1 58 MET HA 0.000 . 3.300 2.785 2.120 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 23 TYR QE 1 58 MET HB2 0.000 . 5.000 4.093 3.863 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 23 TYR QE 1 58 MET ME 0.000 . 3.300 2.889 2.082 3.329 0.029 7 0 "[ . 1 . 2 . 3]" 1
462 1 23 TYR QE 1 58 MET HG2 0.000 . 5.000 3.914 3.006 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 23 TYR QE 1 58 MET HG3 0.000 . 5.000 4.818 4.171 5.020 0.020 30 0 "[ . 1 . 2 . 3]" 1
464 1 23 TYR QE 1 61 LEU HG 0.000 . 5.000 4.370 2.933 4.867 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 23 TYR QE 1 61 LEU QD 0.000 . 5.000 3.630 3.378 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 23 TYR QE 1 62 LYS QB 0.000 . 5.000 3.650 2.198 5.017 0.017 18 0 "[ . 1 . 2 . 3]" 1
467 1 24 PHE QD 1 36 ILE HB 0.000 . 5.000 3.663 3.487 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 24 PHE QD 1 36 ILE MG 0.000 . 3.300 3.246 2.996 3.326 0.026 18 0 "[ . 1 . 2 . 3]" 1
469 1 24 PHE QD 1 38 LEU QD 0.000 . 3.300 2.561 1.845 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 24 PHE QE 1 36 ILE HB 0.000 . 3.300 2.618 2.438 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 24 PHE QE 1 36 ILE MG 0.000 . 3.300 1.959 1.805 2.133 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 24 PHE QE 1 38 LEU QD 0.000 . 3.300 2.648 1.942 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 24 PHE H 1 35 VAL QG 0.000 . 3.300 2.960 2.476 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 24 PHE H 1 36 ILE HB 0.000 . 5.000 4.228 4.007 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 24 PHE H 1 36 ILE MG 0.000 . 5.000 4.218 3.987 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 24 PHE H 1 36 ILE H 0.000 . 3.300 3.376 3.352 3.420 0.120 12 0 "[ . 1 . 2 . 3]" 1
477 1 24 PHE H 1 37 PHE HA 0.000 . 3.300 3.327 3.225 3.388 0.088 28 0 "[ . 1 . 2 . 3]" 1
478 1 24 PHE HZ 1 36 ILE HB 0.000 . 3.300 2.515 2.416 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 24 PHE HZ 1 36 ILE QG 0.000 . 5.000 3.579 3.393 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 24 PHE HZ 1 36 ILE MG 0.000 . 3.300 2.811 1.851 3.235 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 24 PHE HZ 1 38 LEU QD 0.000 . 5.000 4.523 3.838 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 5 ASP HB2 1 24 PHE HZ 0.000 . 5.000 2.485 1.943 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 26 THR H 1 35 VAL HA 0.000 . 3.300 3.133 2.798 3.314 0.014 17 0 "[ . 1 . 2 . 3]" 1
484 1 26 THR H 1 35 VAL QG 0.000 . 5.000 3.971 3.381 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 25 GLU HA 1 34 GLY H 0.000 . 5.000 4.764 4.325 5.023 0.023 4 0 "[ . 1 . 2 . 3]" 1
486 1 26 THR MG 1 34 GLY H 0.000 . 3.300 3.209 2.681 3.334 0.034 29 0 "[ . 1 . 2 . 3]" 1
487 1 26 THR H 1 34 GLY H 0.000 . 3.300 3.298 3.141 3.342 0.042 17 0 "[ . 1 . 2 . 3]" 1
488 1 26 THR MG 1 35 VAL HA 0.000 . 5.000 3.210 2.737 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 10 TYR QE 1 35 VAL H 0.000 . 5.000 3.565 3.172 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 35 VAL H 1 47 ALA MB 0.000 . 5.000 3.630 2.984 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 26 THR H 1 36 ILE H 0.000 . 5.000 4.228 3.941 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 23 TYR HB3 1 37 PHE HA 0.000 . 5.000 3.219 2.721 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 20 MET ME 1 37 PHE HB3 0.000 . 5.000 2.641 2.118 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 20 MET HG3 1 37 PHE HB3 0.000 . 5.000 3.020 2.695 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 37 PHE HB3 1 45 VAL HB 0.000 . 5.000 3.760 3.512 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 37 PHE HB2 1 45 VAL HB 0.000 . 5.000 2.097 1.873 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 37 PHE HB2 1 45 VAL MG2 0.000 . 5.000 3.257 2.743 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 15 ILE MD 1 37 PHE QD 0.000 . 3.300 2.936 2.439 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 15 ILE MG 1 37 PHE QD 0.000 . 3.300 3.128 2.883 3.350 0.050 1 0 "[ . 1 . 2 . 3]" 1
500 1 20 MET HB2 1 37 PHE QD 0.000 . 3.300 3.263 3.007 3.384 0.084 4 0 "[ . 1 . 2 . 3]" 1
501 1 20 MET ME 1 37 PHE QD 0.000 . 5.000 3.183 2.878 3.490 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 20 MET HG3 1 37 PHE QD 0.000 . 3.300 3.290 2.967 3.364 0.064 20 0 "[ . 1 . 2 . 3]" 1
503 1 23 TYR HA 1 37 PHE QD 0.000 . 5.000 3.811 3.541 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 23 TYR HB3 1 37 PHE QD 0.000 . 3.300 2.436 1.971 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 23 TYR HB2 1 37 PHE QD 0.000 . 3.300 3.282 2.993 3.367 0.067 20 0 "[ . 1 . 2 . 3]" 1
506 1 23 TYR QD 1 37 PHE QD 0.000 . 5.000 4.056 3.613 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 37 PHE QD 1 45 VAL HB 0.000 . 3.300 3.127 2.796 3.315 0.015 1 0 "[ . 1 . 2 . 3]" 1
508 1 37 PHE QD 1 47 ALA MB 0.000 . 3.300 2.934 2.329 3.326 0.026 18 0 "[ . 1 . 2 . 3]" 1
509 1 37 PHE QD 1 61 LEU QD 0.000 . 3.300 2.596 2.036 3.319 0.019 5 0 "[ . 1 . 2 . 3]" 1
510 1 15 ILE MD 1 37 PHE QE 0.000 . 3.300 3.172 2.559 3.346 0.046 10 0 "[ . 1 . 2 . 3]" 1
511 1 15 ILE HG13 1 37 PHE QE 0.000 . 5.000 3.000 2.426 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 15 ILE MG 1 37 PHE QE 0.000 . 5.000 3.094 2.712 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 20 MET ME 1 37 PHE QE 0.000 . 5.000 4.407 4.051 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 23 TYR HB3 1 37 PHE QE 0.000 . 5.000 3.129 2.720 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 23 TYR QD 1 37 PHE QE 0.000 . 5.000 3.937 3.370 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 37 PHE QE 1 47 ALA MB 0.000 . 3.300 1.943 1.741 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 37 PHE QE 1 54 VAL HA 0.000 . 5.000 3.554 3.197 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 37 PHE QE 1 54 VAL MG1 0.000 . 3.300 2.074 1.823 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 37 PHE QE 1 54 VAL MG2 0.000 . 3.300 2.911 2.295 3.320 0.020 24 0 "[ . 1 . 2 . 3]" 1
520 1 37 PHE QE 1 57 CYS QB 0.000 . 5.000 1.942 1.723 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 37 PHE QE 1 58 MET HA 0.000 . 5.000 3.292 2.925 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 37 PHE QE 1 58 MET HG2 0.000 . 5.000 2.437 1.857 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 37 PHE H 1 45 VAL HB 0.000 . 5.000 2.751 2.561 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 37 PHE H 1 46 CYS HA 0.000 . 5.000 4.030 3.652 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 37 PHE HZ 1 54 VAL HA 0.000 . 2.700 2.709 2.524 2.752 0.052 20 0 "[ . 1 . 2 . 3]" 1
526 1 37 PHE HZ 1 54 VAL MG1 0.000 . 3.300 1.846 1.714 2.026 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 37 PHE HZ 1 57 CYS QB 0.000 . 3.300 2.645 2.356 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 37 PHE HZ 1 58 MET HG2 0.000 . 3.300 3.176 2.309 3.342 0.042 10 0 "[ . 1 . 2 . 3]" 1
529 1 37 PHE HZ 1 58 MET HG3 0.000 . 5.000 2.563 2.204 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 38 LEU HA 1 44 GLN HA 0.000 . 3.300 2.776 2.568 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 22 SER H 1 38 LEU H 0.000 . 3.300 3.346 3.317 3.371 0.071 11 0 "[ . 1 . 2 . 3]" 1
532 1 23 TYR HA 1 38 LEU H 0.000 . 3.300 2.543 2.178 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 20 MET HA 1 39 THR HA 0.000 . 2.700 1.865 1.788 1.960 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 20 MET HA 1 40 LYS H 0.000 . 3.300 3.378 3.324 3.450 0.150 5 0 "[ . 1 . 2 . 3]" 1
535 1 36 ILE MD 1 44 GLN HA 0.000 . 5.000 5.006 4.786 5.046 0.046 9 0 "[ . 1 . 2 . 3]" 1
536 1 36 ILE MG 1 44 GLN HA 0.000 . 5.000 3.186 3.065 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 36 ILE MG 1 44 GLN QB 0.000 . 3.300 2.126 1.964 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 36 ILE MG 1 44 GLN HE21 0.000 . 5.000 3.726 2.204 5.008 0.008 20 0 "[ . 1 . 2 . 3]" 1
539 1 38 LEU QD 1 44 GLN HE21 0.000 . 5.000 3.890 2.036 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 36 ILE MG 1 44 GLN HG2 0.000 . 5.000 4.156 3.331 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 15 ILE MD 1 45 VAL MG1 0.000 . 3.300 1.794 1.603 2.182 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 36 ILE MG 1 45 VAL H 0.000 . 3.300 2.676 2.411 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 37 PHE HB2 1 45 VAL H 0.000 . 5.000 3.141 2.923 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 37 PHE H 1 45 VAL H 0.000 . 3.300 2.705 2.531 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 36 ILE HA 1 46 CYS HA 0.000 . 2.700 2.589 2.261 2.796 0.096 2 0 "[ . 1 . 2 . 3]" 1
546 1 36 ILE MD 1 46 CYS HA 0.000 . 5.000 3.850 3.451 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 36 ILE QG 1 46 CYS HA 0.000 . 5.000 2.244 1.880 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 36 ILE MG 1 46 CYS HA 0.000 . 5.000 3.875 3.614 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 11 ILE HB 1 46 CYS H 0.000 . 5.000 5.093 5.028 5.135 0.135 26 0 "[ . 1 . 2 . 3]" 1
550 1 11 ILE MD 1 46 CYS H 0.000 . 5.000 4.387 3.999 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 11 ILE H 1 46 CYS H 0.000 . 5.000 3.919 3.469 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 10 TYR HB3 1 47 ALA HA 0.000 . 3.300 2.463 1.857 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 11 ILE MD 1 47 ALA HA 0.000 . 3.300 2.379 2.085 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 11 ILE MD 1 47 ALA MB 0.000 . 3.300 2.609 1.875 3.077 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 11 ILE MG 1 47 ALA MB 0.000 . 3.300 3.096 2.644 3.349 0.049 10 0 "[ . 1 . 2 . 3]" 1
556 1 15 ILE MD 1 47 ALA MB 0.000 . 3.300 1.946 1.795 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 15 ILE MG 1 47 ALA MB 0.000 . 5.000 3.558 3.278 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 35 VAL QG 1 47 ALA MB 0.000 . 3.300 2.646 1.783 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 47 ALA MB 1 54 VAL MG1 0.000 . 3.300 2.123 1.732 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 47 ALA MB 1 54 VAL MG2 0.000 . 2.700 1.712 1.603 1.966 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 35 VAL H 1 47 ALA H 0.000 . 3.300 3.247 2.883 3.342 0.042 30 0 "[ . 1 . 2 . 3]" 1
562 1 36 ILE HA 1 47 ALA H 0.000 . 3.300 3.289 3.143 3.368 0.068 7 0 "[ . 1 . 2 . 3]" 1
563 1 37 PHE QD 1 47 ALA H 0.000 . 5.000 3.941 3.501 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 37 PHE QE 1 47 ALA H 0.000 . 5.000 3.942 3.222 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 10 TYR HB3 1 48 LYS H 0.000 . 3.300 3.181 2.566 3.369 0.069 20 0 "[ . 1 . 2 . 3]" 1
566 1 10 TYR QD 1 48 LYS H 0.000 . 3.300 3.308 3.015 3.369 0.069 24 0 "[ . 1 . 2 . 3]" 1
567 1 10 TYR QE 1 48 LYS H 0.000 . 5.000 4.293 3.988 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 48 LYS H 1 54 VAL MG2 0.000 . 5.000 2.996 2.564 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 35 VAL QG 1 49 PRO HB3 0.000 . 5.000 4.328 3.270 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 5 ASP HB3 1 36 ILE HB 0.000 . 5.000 4.484 3.494 5.002 0.002 27 0 "[ . 1 . 2 . 3]" 1
571 1 5 ASP HB2 1 36 ILE HB 0.000 . 5.000 4.792 4.417 5.024 0.024 1 0 "[ . 1 . 2 . 3]" 1
572 1 15 ILE MD 1 54 VAL HA 0.000 . 5.000 4.359 3.694 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 15 ILE HG13 1 54 VAL HA 0.000 . 3.300 2.850 1.931 3.353 0.053 17 0 "[ . 1 . 2 . 3]" 1
574 1 15 ILE MG 1 54 VAL HA 0.000 . 3.300 3.306 3.154 3.370 0.070 24 0 "[ . 1 . 2 . 3]" 1
575 1 35 VAL QG 1 54 VAL MG1 0.000 . 3.300 2.212 1.683 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 35 VAL QG 1 54 VAL MG2 0.000 . 5.000 3.675 2.750 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 15 ILE MG 1 57 CYS QB 0.000 . 3.300 2.709 2.436 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 17 CYS HB2 1 57 CYS QB 0.000 . 5.000 4.329 3.362 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 15 ILE MG 1 57 CYS H 0.000 . 5.000 4.552 4.248 5.030 0.030 1 0 "[ . 1 . 2 . 3]" 1
580 1 37 PHE HZ 1 57 CYS H 0.000 . 5.000 4.350 3.987 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 23 TYR HB2 1 58 MET HA 0.000 . 5.000 4.440 3.917 5.025 0.025 29 0 "[ . 1 . 2 . 3]" 1
582 1 35 VAL QG 1 58 MET ME 0.000 . 3.300 2.471 1.633 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 35 VAL QG 1 58 MET HG2 0.000 . 5.000 3.297 2.599 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 37 PHE QD 1 58 MET H 0.000 . 5.000 5.050 4.952 5.086 0.086 24 0 "[ . 1 . 2 . 3]" 1
585 1 6 CYS HA 1 26 THR HB 0.000 . 3.300 2.746 1.907 3.328 0.028 7 0 "[ . 1 . 2 . 3]" 1
586 1 6 CYS HA 1 26 THR MG 0.000 . 3.300 2.129 1.832 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 23 TYR QD 1 61 LEU H 0.000 . 5.000 4.258 3.922 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 23 TYR QE 1 61 LEU H 0.000 . 5.000 4.076 3.699 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 23 TYR QE 1 62 LYS H 0.000 . 5.000 4.237 3.728 5.000 0.000 29 0 "[ . 1 . 2 . 3]" 1
590 1 7 CYS H 1 26 THR MG 0.000 . 3.300 2.863 2.316 3.343 0.043 13 0 "[ . 1 . 2 . 3]" 1
591 1 8 THR HA 1 32 LYS QD 0.000 . 3.300 2.934 1.943 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 8 THR HA 1 32 LYS QE 0.000 . 5.000 4.063 2.097 4.976 . 0 0 "[ . 1 . 2 . 3]" 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 42
_Distance_constraint_stats_list.Viol_count 187
_Distance_constraint_stats_list.Viol_total 198.091
_Distance_constraint_stats_list.Viol_max 0.136
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0353
_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 11 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 CYS 2.118 0.136 12 0 "[ . 1 . 2 . 3]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 MET 2.118 0.136 12 0 "[ . 1 . 2 . 3]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 SER 0.993 0.063 10 0 "[ . 1 . 2 . 3]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 27 SER 0.032 0.012 14 0 "[ . 1 . 2 . 3]"
1 30 CYS 0.032 0.012 14 0 "[ . 1 . 2 . 3]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 VAL 0.016 0.014 30 0 "[ . 1 . 2 . 3]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 PHE 1.663 0.109 11 0 "[ . 1 . 2 . 3]"
1 38 LEU 0.993 0.063 10 0 "[ . 1 . 2 . 3]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 VAL 1.663 0.109 11 0 "[ . 1 . 2 . 3]"
1 46 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 ALA 0.016 0.014 30 0 "[ . 1 . 2 . 3]"
1 51 GLY 0.796 0.059 2 0 "[ . 1 . 2 . 3]"
1 53 GLY 0.034 0.034 26 0 "[ . 1 . 2 . 3]"
1 54 VAL 0.852 0.059 2 0 "[ . 1 . 2 . 3]"
1 55 GLN 0.015 0.015 4 0 "[ . 1 . 2 . 3]"
1 56 ASP 0.402 0.059 16 0 "[ . 1 . 2 . 3]"
1 57 CYS 0.513 0.055 20 0 "[ . 1 . 2 . 3]"
1 58 MET 0.056 0.023 3 0 "[ . 1 . 2 . 3]"
1 59 LYS 0.015 0.015 4 0 "[ . 1 . 2 . 3]"
1 60 LYS 0.402 0.059 16 0 "[ . 1 . 2 . 3]"
1 61 LEU 0.479 0.055 20 0 "[ . 1 . 2 . 3]"
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 11 ILE H 1 46 CYS O 1.700 . 2.300 2.056 2.007 2.098 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 11 ILE N 1 46 CYS O 2.400 2.400 3.300 2.844 2.663 2.986 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 16 PRO O 1 19 LEU H 1.700 . 2.300 2.131 2.051 2.283 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 16 PRO O 1 19 LEU N 2.400 2.400 3.300 3.017 2.881 3.186 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 17 CYS O 1 20 MET H 1.700 . 2.300 2.366 2.308 2.436 0.136 12 0 "[ . 1 . 2 . 3]" 2
6 1 17 CYS O 1 20 MET N 2.400 2.400 3.300 3.269 3.188 3.326 0.026 29 0 "[ . 1 . 2 . 3]" 2
7 1 21 LYS H 1 38 LEU O 1.700 . 2.300 2.058 2.004 2.107 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 21 LYS N 1 38 LEU O 2.400 2.400 3.300 2.920 2.838 2.975 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 22 SER H 1 38 LEU O 1.700 . 2.300 2.318 2.167 2.363 0.063 10 0 "[ . 1 . 2 . 3]" 2
10 1 22 SER N 1 38 LEU O 2.400 2.400 3.300 3.277 3.133 3.332 0.032 25 0 "[ . 1 . 2 . 3]" 2
11 1 24 PHE H 1 36 ILE O 1.700 . 2.300 2.107 2.044 2.298 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 24 PHE N 1 36 ILE O 2.400 2.400 3.300 3.025 2.945 3.189 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 26 THR H 1 34 GLY O 1.700 . 2.300 2.095 2.039 2.205 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 26 THR N 1 34 GLY O 2.400 2.400 3.300 3.007 2.910 3.155 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 27 SER O 1 30 CYS H 1.700 . 2.300 2.225 2.109 2.312 0.012 14 0 "[ . 1 . 2 . 3]" 2
16 1 27 SER O 1 30 CYS N 2.400 2.400 3.300 3.170 3.037 3.265 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 35 VAL H 1 47 ALA O 1.700 . 2.300 2.144 2.068 2.298 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 35 VAL N 1 47 ALA O 2.400 2.400 3.300 3.063 2.880 3.241 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 24 PHE O 1 36 ILE H 1.700 . 2.300 2.148 2.068 2.282 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 24 PHE O 1 36 ILE N 2.400 2.400 3.300 2.981 2.871 3.117 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 37 PHE H 1 45 VAL O 1.700 . 2.300 2.354 2.272 2.409 0.109 11 0 "[ . 1 . 2 . 3]" 2
22 1 37 PHE N 1 45 VAL O 2.400 2.400 3.300 3.145 3.093 3.188 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 22 SER O 1 38 LEU H 1.700 . 2.300 2.067 2.020 2.131 . 0 0 "[ . 1 . 2 . 3]" 2
24 1 22 SER O 1 38 LEU N 2.400 2.400 3.300 2.925 2.862 2.986 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 39 THR H 1 43 ARG O 1.700 . 2.300 2.106 2.047 2.192 . 0 0 "[ . 1 . 2 . 3]" 2
26 1 39 THR N 1 43 ARG O 2.400 2.400 3.300 3.067 3.002 3.158 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 37 PHE O 1 45 VAL H 1.700 . 2.300 2.147 2.054 2.317 0.017 6 0 "[ . 1 . 2 . 3]" 2
28 1 37 PHE O 1 45 VAL N 2.400 2.400 3.300 3.065 2.968 3.233 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 35 VAL O 1 47 ALA H 1.700 . 2.300 2.130 2.030 2.314 0.014 30 0 "[ . 1 . 2 . 3]" 2
30 1 35 VAL O 1 47 ALA N 2.400 2.400 3.300 2.998 2.841 3.075 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 51 GLY O 1 54 VAL H 1.700 . 2.300 2.327 2.304 2.359 0.059 2 0 "[ . 1 . 2 . 3]" 2
32 1 51 GLY O 1 54 VAL N 2.400 2.400 3.300 3.159 3.095 3.216 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 53 GLY O 1 57 CYS H 1.700 . 2.300 2.137 2.050 2.334 0.034 26 0 "[ . 1 . 2 . 3]" 2
34 1 53 GLY O 1 57 CYS N 2.400 2.400 3.300 2.995 2.797 3.231 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 54 VAL O 1 58 MET H 1.700 . 2.300 2.217 2.090 2.323 0.023 3 0 "[ . 1 . 2 . 3]" 2
36 1 54 VAL O 1 58 MET N 2.400 2.400 3.300 3.172 3.046 3.269 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 55 GLN O 1 59 LYS H 1.700 . 2.300 2.105 2.063 2.315 0.015 4 0 "[ . 1 . 2 . 3]" 2
38 1 55 GLN O 1 59 LYS N 2.400 2.400 3.300 2.882 2.748 3.225 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 56 ASP O 1 60 LYS H 1.700 . 2.300 2.262 2.090 2.359 0.059 16 0 "[ . 1 . 2 . 3]" 2
40 1 56 ASP O 1 60 LYS N 2.400 2.400 3.300 3.206 3.041 3.307 0.007 8 0 "[ . 1 . 2 . 3]" 2
41 1 57 CYS O 1 61 LEU H 1.700 . 2.300 2.286 2.120 2.355 0.055 20 0 "[ . 1 . 2 . 3]" 2
42 1 57 CYS O 1 61 LEU N 2.400 2.400 3.300 3.093 2.725 3.252 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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