NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
377488 |
1g91   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g91
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 674
_Distance_constraint_stats_list.Viol_count 538
_Distance_constraint_stats_list.Viol_total 650.243
_Distance_constraint_stats_list.Viol_max 0.185
_Distance_constraint_stats_list.Viol_rms 0.0098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0403
_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 3 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 4 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 SER 0.227 0.066 8 0 "[ . 1 . 2 . 3]"
1 9 ALA 0.240 0.066 8 0 "[ . 1 . 2 . 3]"
1 10 ASP 0.305 0.077 23 0 "[ . 1 . 2 . 3]"
1 11 CYS 0.032 0.019 10 0 "[ . 1 . 2 . 3]"
1 12 CYS 0.025 0.012 5 0 "[ . 1 . 2 . 3]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 TYR 0.007 0.007 14 0 "[ . 1 . 2 . 3]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 PRO 0.098 0.022 20 0 "[ . 1 . 2 . 3]"
1 18 ARG 0.098 0.022 20 0 "[ . 1 . 2 . 3]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 ILE 0.513 0.064 11 0 "[ . 1 . 2 . 3]"
1 21 PRO 0.566 0.070 20 0 "[ . 1 . 2 . 3]"
1 22 CYS 0.953 0.094 8 0 "[ . 1 . 2 . 3]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 24 LEU 0.317 0.129 11 0 "[ . 1 . 2 . 3]"
1 25 LEU 0.411 0.083 1 0 "[ . 1 . 2 . 3]"
1 26 GLU 0.078 0.009 16 0 "[ . 1 . 2 . 3]"
1 27 SER 0.024 0.013 6 0 "[ . 1 . 2 . 3]"
1 28 TYR 0.053 0.011 6 0 "[ . 1 . 2 . 3]"
1 29 PHE 0.249 0.091 15 0 "[ . 1 . 2 . 3]"
1 30 GLU 0.074 0.023 7 0 "[ . 1 . 2 . 3]"
1 31 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 34 GLU 0.266 0.048 8 0 "[ . 1 . 2 . 3]"
1 35 CYS 0.266 0.048 8 0 "[ . 1 . 2 . 3]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 LYS 0.012 0.004 1 0 "[ . 1 . 2 . 3]"
1 38 PRO 0.173 0.021 9 0 "[ . 1 . 2 . 3]"
1 39 GLY 7.416 0.166 26 0 "[ . 1 . 2 . 3]"
1 40 VAL 0.086 0.015 6 0 "[ . 1 . 2 . 3]"
1 41 ILE 0.194 0.091 15 0 "[ . 1 . 2 . 3]"
1 42 PHE 0.305 0.065 4 0 "[ . 1 . 2 . 3]"
1 43 LEU 0.495 0.061 11 0 "[ . 1 . 2 . 3]"
1 44 THR 0.390 0.083 1 0 "[ . 1 . 2 . 3]"
1 45 LYS 0.062 0.012 20 0 "[ . 1 . 2 . 3]"
1 46 LYS 0.703 0.064 27 0 "[ . 1 . 2 . 3]"
1 47 GLY 5.204 0.185 27 0 "[ . 1 . 2 . 3]"
1 48 ARG 0.371 0.033 25 0 "[ . 1 . 2 . 3]"
1 49 ARG 0.003 0.003 19 0 "[ . 1 . 2 . 3]"
1 50 PHE 0.278 0.062 26 0 "[ . 1 . 2 . 3]"
1 51 CYS 2.188 0.108 20 0 "[ . 1 . 2 . 3]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 53 ASN 0.144 0.041 25 0 "[ . 1 . 2 . 3]"
1 54 PRO 0.007 0.007 20 0 "[ . 1 . 2 . 3]"
1 55 SER 0.033 0.017 14 0 "[ . 1 . 2 . 3]"
1 56 ASP 0.118 0.031 28 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.337 0.096 30 0 "[ . 1 . 2 . 3]"
1 58 GLN 0.228 0.023 27 0 "[ . 1 . 2 . 3]"
1 59 VAL 0.417 0.031 28 0 "[ . 1 . 2 . 3]"
1 60 GLN 0.141 0.028 20 0 "[ . 1 . 2 . 3]"
1 61 VAL 0.168 0.023 27 0 "[ . 1 . 2 . 3]"
1 62 CYS 0.197 0.105 21 0 "[ . 1 . 2 . 3]"
1 63 MET 0.140 0.028 20 0 "[ . 1 . 2 . 3]"
1 64 ARG 0.011 0.005 14 0 "[ . 1 . 2 . 3]"
1 65 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 66 LEU 0.024 0.013 6 0 "[ . 1 . 2 . 3]"
1 67 LYS 0.234 0.070 24 0 "[ . 1 . 2 . 3]"
1 68 LEU 0.267 0.070 24 0 "[ . 1 . 2 . 3]"
1 69 ASP 0.335 0.093 11 0 "[ . 1 . 2 . 3]"
1 70 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 ARG 0.012 0.012 29 0 "[ . 1 . 2 . 3]"
1 72 ILE 0.535 0.104 28 0 "[ . 1 . 2 . 3]"
1 73 LYS 0.677 0.070 26 0 "[ . 1 . 2 . 3]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 76 LYS 0.005 0.005 18 0 "[ . 1 . 2 . 3]"
1 77 ASN 0.005 0.005 18 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 3 ARG H 1 3 ARG HB3 4.000 . 6.000 3.244 2.407 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 3 ARG HA 1 4 PHE H 4.000 . 5.000 2.630 2.210 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 4 PHE H 1 4 PHE HB3 4.000 . 5.000 3.377 2.560 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 4 PHE H 1 4 PHE HB2 4.000 . 6.000 2.696 2.117 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 6 ALA HA 1 7 THR H 4.000 . 5.000 2.750 2.190 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 6 ALA MB 1 7 THR H 4.000 . 6.500 2.867 1.881 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 7 THR H 1 7 THR MG 4.000 . 6.500 2.860 1.866 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 8 SER HA 1 8 SER HB3 3.000 . 3.500 2.626 2.249 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 8 SER HA 1 8 SER HB2 3.000 . 3.500 2.713 2.293 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 8 SER HA 1 9 ALA H 3.000 . 3.500 2.782 2.191 3.566 0.066 8 0 "[ . 1 . 2 . 3]" 1
11 1 9 ALA H 1 9 ALA MB 3.000 . 5.000 2.196 2.047 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 8 SER HB3 1 9 ALA H 4.000 . 5.000 3.928 2.574 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 8 SER HB2 1 9 ALA H 4.000 . 5.000 3.801 1.991 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 9 ALA HA 1 10 ASP H 2.400 . 2.700 2.401 2.197 2.713 0.013 10 0 "[ . 1 . 2 . 3]" 1
15 1 9 ALA MB 1 10 ASP H 3.000 . 5.000 2.784 1.969 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 10 ASP H 1 10 ASP HA 3.000 . 3.500 2.957 2.868 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 10 ASP H 1 10 ASP HB3 3.000 . 3.500 3.245 2.765 3.521 0.021 19 0 "[ . 1 . 2 . 3]" 1
18 1 10 ASP H 1 10 ASP HB2 3.000 . 3.500 3.022 2.514 3.577 0.077 23 0 "[ . 1 . 2 . 3]" 1
19 1 10 ASP H 1 11 CYS H 3.000 . 4.000 2.626 1.861 4.019 0.019 10 0 "[ . 1 . 2 . 3]" 1
20 1 11 CYS HA 1 11 CYS HB3 3.000 . 3.500 2.467 2.340 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 11 CYS H 1 11 CYS HB2 3.000 . 3.500 2.538 2.237 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 11 CYS H 1 11 CYS HB3 3.000 . 4.000 3.654 3.548 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 11 CYS H 1 11 CYS HA 3.000 . 3.500 2.946 2.887 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 9 ALA MB 1 11 CYS H 4.000 . 6.500 3.970 2.735 5.392 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 10 ASP QB 1 11 CYS H 4.000 . 6.000 3.242 1.872 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 11 CYS H 1 31 THR MG 4.000 . 6.500 5.026 4.520 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 11 CYS HA 1 31 THR MG 3.000 . 5.000 3.039 2.491 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 11 CYS HA 1 31 THR HB 4.000 . 5.000 2.962 2.057 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 11 CYS H 1 12 CYS H 4.000 . 5.000 4.574 4.464 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 11 CYS HB3 1 12 CYS H 3.000 . 3.500 2.553 1.938 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 11 CYS HB2 1 12 CYS H 4.000 . 5.000 3.556 2.832 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 11 CYS HA 1 12 CYS H 2.400 . 2.700 2.467 2.221 2.712 0.012 5 0 "[ . 1 . 2 . 3]" 1
33 1 12 CYS H 1 12 CYS HA 3.000 . 3.500 2.963 2.900 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 12 CYS H 1 12 CYS HB2 3.000 . 3.500 2.297 2.194 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 12 CYS H 1 12 CYS HB3 4.000 . 5.000 3.570 3.517 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 12 CYS HA 1 12 CYS HB3 3.000 . 3.500 2.641 2.535 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 12 CYS H 1 31 THR MG 3.000 . 6.500 3.074 2.177 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 12 CYS HB3 1 15 TYR QE 4.000 . 6.000 2.913 1.878 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 12 CYS HB2 1 15 TYR QE 4.000 . 6.000 3.380 2.283 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 12 CYS HA 1 13 ILE H 4.000 . 5.000 2.226 2.187 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 13 ILE HA 1 13 ILE HB 3.000 . 3.500 2.766 2.433 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 13 ILE H 1 13 ILE HA 3.000 . 3.500 2.979 2.953 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 13 ILE HA 1 13 ILE MG 2.400 . 4.200 2.726 2.007 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 13 ILE H 1 13 ILE MG 4.000 . 6.500 2.940 1.854 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 13 ILE HA 1 13 ILE HG13 4.000 . 5.000 2.856 2.221 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 13 ILE HA 1 13 ILE HG12 4.000 . 5.000 3.173 2.373 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 13 ILE H 1 13 ILE HB 3.000 . 4.000 2.734 2.492 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 13 ILE HB 1 13 ILE MD 3.000 . 5.000 2.403 1.949 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 13 ILE MG 1 14 SER QB 3.000 . 6.000 3.159 2.113 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 13 ILE HB 1 14 SER H 4.000 . 5.000 3.549 2.500 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 13 ILE HA 1 14 SER H 4.000 . 5.000 3.449 3.219 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 14 SER H 1 14 SER HA 3.000 . 4.000 2.950 2.886 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 13 ILE H 1 14 SER H 4.000 . 5.000 2.109 1.878 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 13 ILE MG 1 14 SER H 4.000 . 6.500 3.041 1.830 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 14 SER HA 1 15 TYR H 2.400 . 2.700 2.248 2.192 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 14 SER QB 1 15 TYR H 4.000 . 6.000 3.295 2.611 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 15 TYR H 1 15 TYR HA 3.000 . 3.500 2.968 2.923 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 15 TYR H 1 15 TYR HB3 4.000 . 5.000 3.699 3.624 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 15 TYR H 1 15 TYR HB2 3.000 . 4.000 2.630 2.433 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 15 TYR HA 1 15 TYR HB2 3.000 . 4.000 3.025 3.003 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 15 TYR HA 1 15 TYR HB3 2.400 . 2.700 2.421 2.331 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 15 TYR H 1 15 TYR QD 4.000 . 6.000 2.563 1.883 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 15 TYR HB3 1 15 TYR QD 3.000 . 4.500 2.522 2.301 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 15 TYR HB2 1 15 TYR QD 2.400 . 3.700 2.408 2.302 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 15 TYR HA 1 15 TYR QD 3.000 . 4.500 2.652 1.909 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 15 TYR QE 1 39 GLY HA3 4.000 . 6.000 2.687 1.900 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 15 TYR QE 1 39 GLY HA2 4.000 . 6.000 3.583 2.787 5.462 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 15 TYR HA 1 16 THR H 2.400 . 2.700 2.329 2.187 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 15 TYR HB3 1 16 THR H 4.000 . 5.000 2.904 2.269 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 15 TYR HB2 1 16 THR H 4.000 . 5.000 3.766 3.069 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 15 TYR QD 1 16 THR H 4.000 . 6.000 4.187 3.646 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 16 THR H 1 16 THR HA 3.000 . 3.500 2.858 2.767 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 16 THR H 1 16 THR HB 2.400 . 2.700 2.560 2.426 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 16 THR H 1 16 THR MG 2.400 . 4.200 2.073 1.885 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 16 THR HA 1 16 THR MG 3.000 . 5.000 3.187 3.175 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 16 THR HA 1 16 THR HB 2.400 . 2.700 2.484 2.386 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 16 THR MG 1 17 PRO HD3 4.000 . 7.500 4.508 4.371 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 16 THR HB 1 50 PHE QD 3.000 . 4.500 3.429 2.480 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 16 THR HB 1 50 PHE QE 4.000 . 6.000 4.914 3.905 5.669 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 16 THR MG 1 50 PHE QD 3.000 . 6.000 2.417 2.000 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 16 THR MG 1 50 PHE QE 3.000 . 6.000 3.188 2.330 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 16 THR HA 1 17 PRO HD3 2.400 . 2.700 2.059 1.933 2.177 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 16 THR HA 1 17 PRO HD2 2.400 . 2.700 2.152 2.070 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 16 THR MG 1 18 ARG H 4.000 . 6.500 2.830 2.370 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 17 PRO HA 1 18 ARG H 2.400 . 2.700 2.642 2.512 2.722 0.022 20 0 "[ . 1 . 2 . 3]" 1
86 1 17 PRO QB 1 18 ARG H 4.000 . 6.000 4.002 3.963 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 17 PRO QG 1 18 ARG H 4.000 . 6.000 4.659 4.565 4.783 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 18 ARG H 1 18 ARG HB3 4.000 . 5.000 3.887 3.788 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 18 ARG H 1 18 ARG HB2 3.000 . 3.500 2.888 2.800 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 18 ARG HA 1 18 ARG HB3 3.000 . 3.500 2.599 2.427 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 18 ARG HA 1 18 ARG HB2 3.000 . 4.000 3.011 2.988 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 18 ARG HA 1 19 SER H 3.000 . 3.500 2.348 2.190 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 18 ARG HB2 1 19 SER H 4.000 . 6.000 4.013 3.354 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 19 SER H 1 19 SER HA 3.000 . 3.500 2.946 2.879 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 19 SER HA 1 19 SER QB 2.400 . 3.700 2.343 2.165 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 19 SER H 1 19 SER QB 3.000 . 4.500 2.508 2.149 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 19 SER HA 1 20 ILE H 2.400 . 2.700 2.253 2.188 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 19 SER QB 1 20 ILE H 3.000 . 4.500 3.682 3.201 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 20 ILE H 1 20 ILE HB 2.400 . 2.700 2.532 2.352 2.712 0.012 20 0 "[ . 1 . 2 . 3]" 1
100 1 20 ILE H 1 20 ILE MD 4.000 . 6.500 2.966 2.070 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 20 ILE H 1 20 ILE HG13 4.000 . 5.000 2.931 1.959 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 20 ILE H 1 20 ILE HG12 4.000 . 5.000 3.672 1.872 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 20 ILE HB 1 20 ILE MD 3.000 . 5.500 2.264 1.893 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 20 ILE H 1 20 ILE MG 4.000 . 6.500 3.795 3.733 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 20 ILE HA 1 20 ILE MG 2.400 . 4.200 2.368 2.148 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 20 ILE HG13 1 20 ILE MG 3.000 . 5.000 2.872 2.287 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 20 ILE HG12 1 20 ILE MG 3.000 . 5.000 2.293 1.882 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 20 ILE HA 1 20 ILE MD 3.000 . 5.000 3.393 1.857 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 20 ILE MD 1 50 PHE QE 4.000 . 7.500 2.736 1.851 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 20 ILE MD 1 50 PHE HZ 4.000 . 6.500 3.044 1.903 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 20 ILE MG 1 21 PRO HD3 3.000 . 5.500 3.117 2.865 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 20 ILE MG 1 21 PRO HD2 3.000 . 5.500 1.929 1.736 2.633 0.064 11 0 "[ . 1 . 2 . 3]" 1
113 1 20 ILE HA 1 21 PRO HD3 2.400 . 2.700 1.963 1.912 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 20 ILE HA 1 21 PRO HD2 2.400 . 2.700 2.288 2.068 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 20 ILE HB 1 21 PRO HD3 4.000 . 5.000 4.674 4.514 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 22 CYS H 1 22 CYS HA 3.000 . 3.500 2.851 2.778 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 22 CYS HA 1 22 CYS HB3 3.000 . 4.000 2.689 2.353 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 22 CYS HA 1 22 CYS HB2 3.000 . 4.000 2.913 2.561 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 22 CYS H 1 22 CYS HB3 3.000 . 3.500 3.389 2.696 3.594 0.094 8 0 "[ . 1 . 2 . 3]" 1
120 1 22 CYS H 1 22 CYS HB2 3.000 . 3.500 2.329 2.088 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 21 PRO HB3 1 22 CYS H 4.000 . 5.000 3.805 3.478 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 21 PRO HB2 1 22 CYS H 4.000 . 5.000 3.187 2.617 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 23 SER H 1 23 SER HA 3.000 . 3.500 2.851 2.786 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 23 SER HA 1 23 SER HB3 3.000 . 3.500 2.654 2.250 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 23 SER HA 1 23 SER HB2 3.000 . 3.500 2.802 2.310 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 23 SER H 1 23 SER HB3 4.000 . 5.000 3.188 2.244 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 23 SER H 1 23 SER HB2 4.000 . 5.000 2.622 2.089 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 23 SER H 1 24 LEU H 4.000 . 5.000 2.657 2.412 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 23 SER HA 1 24 LEU H 3.000 . 4.000 3.458 3.353 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 24 LEU H 1 24 LEU HA 3.000 . 3.500 2.982 2.957 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 24 LEU H 1 24 LEU QB 2.400 . 3.700 2.351 2.156 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 24 LEU H 1 24 LEU QD 4.000 . 8.000 3.271 1.941 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 24 LEU HA 1 24 LEU QD 2.400 . 5.700 2.369 1.671 3.389 0.129 11 0 "[ . 1 . 2 . 3]" 1
134 1 24 LEU HA 1 24 LEU QB 2.400 . 3.700 2.493 2.198 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 24 LEU H 1 24 LEU HG 4.000 . 5.000 4.067 2.034 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 24 LEU H 1 25 LEU H 2.400 . 2.700 2.624 2.380 2.708 0.008 20 0 "[ . 1 . 2 . 3]" 1
137 1 24 LEU H 1 25 LEU MD1 3.850 . 6.500 4.265 3.627 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 24 LEU H 1 25 LEU MD2 3.850 . 6.500 4.599 3.989 5.330 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 20 ILE MG 1 24 LEU QB 3.000 . 6.000 2.570 1.801 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 20 ILE HA 1 24 LEU QD 4.000 . 8.000 4.552 3.272 5.956 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 21 PRO HD3 1 24 LEU QD 4.000 . 8.000 4.016 2.922 5.415 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 21 PRO HD2 1 24 LEU QD 4.000 . 8.000 3.030 1.887 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 21 PRO QG 1 24 LEU QD 4.000 . 9.000 2.583 1.730 3.626 0.070 20 0 "[ . 1 . 2 . 3]" 1
144 1 25 LEU H 1 25 LEU MD2 4.000 . 6.500 3.861 3.537 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 25 LEU H 1 25 LEU MD1 4.000 . 6.500 4.006 3.634 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 25 LEU H 1 25 LEU HB3 3.000 . 4.000 3.808 3.728 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 25 LEU H 1 25 LEU HB2 2.400 . 2.700 2.665 2.539 2.728 0.028 30 0 "[ . 1 . 2 . 3]" 1
148 1 25 LEU HA 1 25 LEU HB3 3.000 . 3.500 2.487 2.419 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 25 LEU HA 1 25 LEU HB2 3.000 . 4.000 3.032 3.016 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 25 LEU HB3 1 25 LEU MD1 3.000 . 5.000 2.402 2.199 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 25 LEU HB3 1 25 LEU MD2 3.000 . 5.000 2.236 1.977 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 25 LEU HB2 1 25 LEU MD1 3.000 . 5.000 2.280 2.006 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 25 LEU HA 1 25 LEU MD1 4.000 . 6.500 3.808 3.710 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 25 LEU HA 1 25 LEU MD2 2.400 . 4.200 2.053 1.832 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 25 LEU HB3 1 66 LEU MD1 4.000 . 6.500 3.212 2.077 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 25 LEU HB2 1 66 LEU MD2 4.000 . 6.500 3.490 1.976 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 25 LEU HB3 1 66 LEU MD2 4.000 . 6.500 3.678 1.862 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 25 LEU H 1 44 THR HA 4.000 . 5.000 4.694 4.424 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 25 LEU MD2 1 44 THR HA 3.000 . 5.000 2.798 2.129 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 25 LEU MD2 1 44 THR MG 2.400 . 5.700 2.115 1.717 2.818 0.083 1 0 "[ . 1 . 2 . 3]" 1
161 1 25 LEU MD2 1 42 PHE HB3 3.000 . 5.000 1.962 1.735 2.511 0.065 4 0 "[ . 1 . 2 . 3]" 1
162 1 25 LEU MD2 1 42 PHE HB2 4.000 . 6.500 3.061 2.285 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 25 LEU MD2 1 50 PHE QE 3.000 . 6.000 2.591 1.893 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 25 LEU MD1 1 62 CYS HB3 4.000 . 6.500 3.830 2.968 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 25 LEU MD1 1 62 CYS HB2 4.000 . 6.500 4.191 3.314 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 25 LEU MD1 1 66 LEU MD1 4.000 . 8.000 3.257 1.847 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 25 LEU MD1 1 66 LEU MD2 4.000 . 8.000 4.163 2.506 5.331 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 25 LEU HB2 1 26 GLU H 4.000 . 5.000 4.083 3.570 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 25 LEU HB3 1 26 GLU H 3.000 . 4.000 3.118 2.390 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 25 LEU HA 1 26 GLU H 2.400 . 3.200 2.254 2.191 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 25 LEU MD2 1 26 GLU H 4.000 . 6.500 3.399 3.012 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 26 GLU H 1 26 GLU QB 2.400 . 3.700 2.417 2.182 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 26 GLU H 1 43 LEU QD 4.000 . 7.500 3.750 3.065 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 26 GLU H 1 43 LEU HB3 3.000 . 4.000 3.783 3.268 4.007 0.007 9 0 "[ . 1 . 2 . 3]" 1
175 1 26 GLU H 1 45 LYS H 4.000 . 5.000 4.045 3.712 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 26 GLU H 1 45 LYS HA 4.000 . 5.000 4.778 4.083 5.009 0.009 16 0 "[ . 1 . 2 . 3]" 1
177 1 27 SER H 1 27 SER HA 3.000 . 3.500 2.887 2.845 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 27 SER HA 1 27 SER QB 2.400 . 3.700 2.356 2.166 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 27 SER H 1 27 SER QB 3.000 . 4.500 3.071 2.766 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 26 GLU H 1 27 SER H 2.400 . 2.700 2.143 1.883 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 25 LEU MD1 1 27 SER H 4.000 . 6.500 5.132 4.859 5.363 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 25 LEU MD2 1 27 SER H 4.000 . 6.500 4.101 3.675 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 25 LEU HB3 1 27 SER H 4.000 . 5.000 3.367 3.100 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 25 LEU HB2 1 27 SER H 4.000 . 5.000 4.664 4.331 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 27 SER HA 1 66 LEU MD1 4.000 . 6.500 3.152 1.806 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 27 SER HA 1 66 LEU MD2 4.000 . 6.500 2.792 1.787 4.787 0.013 6 0 "[ . 1 . 2 . 3]" 1
187 1 27 SER HA 1 66 LEU HB3 4.000 . 5.000 3.490 2.826 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 27 SER HA 1 66 LEU HB2 4.000 . 5.000 4.758 4.244 5.002 0.002 19 0 "[ . 1 . 2 . 3]" 1
189 1 27 SER H 1 43 LEU H 3.000 . 4.000 3.217 2.940 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 27 SER H 1 43 LEU QD 3.000 . 6.500 3.734 3.255 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 28 TYR H 1 28 TYR HA 3.000 . 3.500 2.914 2.888 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 28 TYR H 1 28 TYR HB3 3.000 . 3.500 3.366 3.224 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 28 TYR H 1 28 TYR HB2 4.000 . 5.000 4.038 3.943 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 28 TYR HA 1 28 TYR HB3 2.400 . 2.700 2.534 2.499 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 28 TYR HA 1 28 TYR HB2 2.400 . 2.700 2.410 2.379 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 28 TYR H 1 28 TYR QD 3.000 . 4.500 2.635 1.916 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 28 TYR HA 1 28 TYR QD 4.000 . 6.000 3.676 3.631 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 28 TYR HB3 1 28 TYR QD 3.000 . 4.500 2.500 2.329 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 28 TYR HB2 1 28 TYR QD 3.000 . 4.500 2.369 2.302 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 27 SER QB 1 28 TYR H 2.400 . 3.700 2.475 1.926 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 27 SER HA 1 28 TYR H 2.400 . 2.700 2.603 2.415 2.706 0.006 24 0 "[ . 1 . 2 . 3]" 1
202 1 28 TYR HB3 1 66 LEU MD1 4.000 . 6.500 3.688 1.937 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 28 TYR HA 1 29 PHE H 2.400 . 2.700 2.431 2.368 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 28 TYR HB3 1 29 PHE H 3.000 . 4.000 3.937 3.784 4.004 0.004 22 0 "[ . 1 . 2 . 3]" 1
205 1 28 TYR HB2 1 29 PHE H 2.400 . 2.700 2.578 2.345 2.703 0.003 2 0 "[ . 1 . 2 . 3]" 1
206 1 29 PHE H 1 29 PHE HA 3.000 . 3.500 2.933 2.884 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 29 PHE H 1 29 PHE HB3 4.000 . 5.000 3.675 3.534 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 29 PHE H 1 29 PHE HB2 4.000 . 5.000 3.842 3.754 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 29 PHE HA 1 29 PHE HB3 2.400 . 2.700 2.332 2.303 2.438 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 29 PHE HA 1 29 PHE HB2 2.400 . 3.200 2.639 2.502 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 29 PHE HB2 1 29 PHE QD 3.000 . 4.500 2.370 2.320 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 29 PHE HB3 1 29 PHE QD 3.000 . 4.500 2.480 2.300 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 29 PHE H 1 40 VAL MG1 4.000 . 6.500 3.098 2.673 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 29 PHE H 1 42 PHE HA 4.000 . 5.000 3.859 3.588 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 29 PHE HB2 1 30 GLU H 3.000 . 3.500 2.285 1.964 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 29 PHE HB3 1 30 GLU H 3.000 . 3.500 3.459 3.287 3.523 0.023 7 0 "[ . 1 . 2 . 3]" 1
217 1 29 PHE HA 1 30 GLU H 2.400 . 2.700 2.544 2.393 2.710 0.010 26 0 "[ . 1 . 2 . 3]" 1
218 1 29 PHE QD 1 30 GLU H 4.000 . 6.000 3.736 2.852 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 30 GLU H 1 30 GLU HA 3.000 . 3.500 2.976 2.902 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 30 GLU H 1 30 GLU HB3 4.000 . 5.000 3.658 3.547 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 30 GLU H 1 30 GLU HB2 2.400 . 3.200 2.484 2.234 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 30 GLU H 1 30 GLU HG3 3.000 . 5.000 3.019 2.145 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 30 GLU HA 1 30 GLU HB3 3.000 . 4.000 2.517 2.326 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 30 GLU HA 1 30 GLU HB2 3.000 . 4.000 3.018 2.991 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 30 GLU HA 1 40 VAL HA 3.000 . 3.500 2.380 2.003 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 30 GLU H 1 31 THR H 4.000 . 5.000 4.576 4.524 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 30 GLU HA 1 31 THR H 2.400 . 2.700 2.327 2.237 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 30 GLU HB2 1 31 THR H 4.000 . 5.000 3.913 3.363 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 30 GLU HB3 1 31 THR H 3.000 . 4.000 2.848 2.332 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 31 THR H 1 31 THR HB 4.000 . 5.000 3.590 3.518 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 31 THR H 1 31 THR HA 3.000 . 3.500 2.907 2.848 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 31 THR H 1 31 THR MG 2.400 . 4.200 2.540 1.850 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 31 THR HA 1 31 THR HB 2.400 . 2.700 2.556 2.385 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 31 THR HA 1 31 THR MG 3.000 . 5.000 2.244 1.997 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 31 THR H 1 39 GLY H 4.000 . 5.000 3.007 2.539 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 31 THR MG 1 39 GLY H 4.000 . 6.500 3.342 2.531 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 31 THR MG 1 39 GLY HA3 4.000 . 6.500 3.659 3.088 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 31 THR MG 1 39 GLY HA2 4.000 . 6.500 4.719 4.135 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 31 THR H 1 40 VAL HA 4.000 . 5.000 3.527 2.813 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 31 THR H 1 40 VAL MG1 4.000 . 6.500 4.995 4.277 5.322 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 31 THR H 1 40 VAL MG2 4.000 . 6.500 4.533 3.856 5.096 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 31 THR HA 1 32 ASN H 2.400 . 2.700 2.567 2.381 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 31 THR HB 1 32 ASN H 2.400 . 2.700 2.248 1.956 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 31 THR MG 1 32 ASN H 3.000 . 5.500 3.508 3.158 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 32 ASN H 1 32 ASN HA 3.000 . 3.500 2.874 2.784 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 32 ASN H 1 32 ASN QB 2.400 . 3.700 2.268 2.070 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 32 ASN HA 1 32 ASN QB 2.400 . 3.700 2.451 2.195 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 33 SER H 1 33 SER HA 3.000 . 3.500 2.849 2.782 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 34 GLU H 1 34 GLU HA 3.000 . 3.500 2.847 2.769 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 34 GLU H 1 34 GLU HB3 3.000 . 4.000 3.594 3.542 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 34 GLU H 1 34 GLU HB2 2.400 . 2.700 2.407 2.227 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 34 GLU H 1 34 GLU QG 3.000 . 4.500 2.512 2.011 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 34 GLU HA 1 34 GLU HB3 2.400 . 2.700 2.560 2.414 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 34 GLU HA 1 34 GLU HB2 3.000 . 4.000 3.018 2.990 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 34 GLU HA 1 34 GLU QG 3.000 . 4.500 2.326 2.029 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 34 GLU H 1 35 CYS H 2.400 . 3.200 2.672 2.379 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 34 GLU HA 1 35 CYS H 3.000 . 3.500 3.477 3.228 3.548 0.048 8 0 "[ . 1 . 2 . 3]" 1
258 1 34 GLU HB2 1 35 CYS H 4.000 . 5.000 3.022 2.718 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 34 GLU QG 1 35 CYS H 4.000 . 6.000 4.285 3.924 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 32 ASN QB 1 35 CYS H 4.000 . 6.000 3.111 2.547 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 35 CYS H 1 35 CYS HB3 4.000 . 5.000 3.534 3.442 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 35 CYS H 1 35 CYS HB2 2.400 . 2.700 2.264 2.136 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 35 CYS HA 1 35 CYS HB2 3.000 . 4.000 2.992 2.952 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 35 CYS HA 1 35 CYS HB3 2.400 . 3.200 2.639 2.467 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 35 CYS HB3 1 37 LYS H 3.000 . 3.500 2.763 2.171 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 35 CYS HB2 1 37 LYS H 4.000 . 5.000 4.146 3.333 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 35 CYS HB2 1 36 SER H 4.000 . 5.000 4.198 3.624 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 35 CYS HB3 1 36 SER H 4.000 . 5.000 3.091 2.103 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 36 SER H 1 36 SER HA 3.000 . 3.500 2.852 2.765 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 36 SER H 1 36 SER QB 3.000 . 4.500 2.374 2.066 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 36 SER HA 1 37 LYS H 4.000 2.800 5.000 3.528 3.392 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 36 SER QB 1 37 LYS H 3.000 . 4.500 2.880 2.085 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 37 LYS H 1 37 LYS HA 3.000 . 3.500 2.990 2.949 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 37 LYS H 1 37 LYS HB3 3.000 . 4.000 3.704 3.589 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 37 LYS H 1 37 LYS HB2 2.400 . 2.700 2.529 2.345 2.704 0.004 1 0 "[ . 1 . 2 . 3]" 1
276 1 37 LYS H 1 37 LYS QG 3.000 . 4.500 2.994 2.212 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 37 LYS HA 1 37 LYS HB3 3.000 . 3.500 2.541 2.385 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 37 LYS HA 1 38 PRO HD3 2.400 . 2.700 2.256 1.917 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 37 LYS HA 1 38 PRO HD2 2.400 . 2.700 2.116 2.043 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 12 CYS HB3 1 39 GLY HA3 4.000 . 5.000 4.082 2.656 5.009 0.009 7 0 "[ . 1 . 2 . 3]" 1
281 1 12 CYS HB2 1 39 GLY HA3 4.000 . 5.000 3.360 2.415 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 39 GLY HA3 1 51 CYS HB2 4.000 . 6.000 5.648 4.916 6.005 0.005 18 0 "[ . 1 . 2 . 3]" 1
283 1 38 PRO HA 1 39 GLY H 2.400 . 2.700 2.567 2.452 2.718 0.018 4 0 "[ . 1 . 2 . 3]" 1
284 1 38 PRO HB3 1 39 GLY H 3.000 . 3.500 3.408 3.248 3.521 0.021 9 0 "[ . 1 . 2 . 3]" 1
285 1 38 PRO HB2 1 39 GLY H 3.000 . 3.500 2.450 2.103 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 39 GLY H 1 39 GLY HA3 2.400 . 2.700 2.821 2.773 2.866 0.166 26 0 "[ . 1 . 2 . 3]" 1
287 1 39 GLY H 1 39 GLY HA2 2.400 . 2.700 2.817 2.768 2.861 0.161 24 0 "[ . 1 . 2 . 3]" 1
288 1 39 GLY HA3 1 40 VAL H 2.400 . 2.700 2.625 2.520 2.715 0.015 6 0 "[ . 1 . 2 . 3]" 1
289 1 39 GLY HA2 1 40 VAL H 2.400 . 2.700 2.602 2.506 2.707 0.007 14 0 "[ . 1 . 2 . 3]" 1
290 1 40 VAL H 1 40 VAL HA 3.000 . 3.500 2.989 2.980 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 40 VAL H 1 40 VAL HB 3.000 . 3.500 2.683 2.469 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 40 VAL H 1 40 VAL MG1 4.000 . 6.500 3.859 3.775 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 40 VAL H 1 40 VAL MG2 3.000 . 5.000 2.523 2.147 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 40 VAL HA 1 40 VAL MG1 3.000 . 5.000 2.268 2.023 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 30 GLU HA 1 40 VAL MG1 4.000 . 6.500 3.306 2.667 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 30 GLU HA 1 40 VAL MG2 4.000 . 6.500 3.506 2.749 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 40 VAL MG1 1 42 PHE HZ 4.000 . 6.500 3.250 2.574 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 40 VAL MG1 1 42 PHE QE 4.000 . 7.500 2.457 1.793 3.419 0.007 21 0 "[ . 1 . 2 . 3]" 1
299 1 40 VAL MG2 1 42 PHE QE 4.000 . 7.500 3.817 3.194 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 28 TYR HB2 1 40 VAL MG1 3.000 . 5.000 2.679 2.433 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 28 TYR HB2 1 40 VAL MG2 4.000 . 6.500 5.228 4.827 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 28 TYR QD 1 40 VAL MG1 4.000 . 7.500 2.199 1.867 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 28 TYR QD 1 40 VAL MG2 4.000 . 7.500 4.130 3.674 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 40 VAL H 1 51 CYS HA 4.000 . 5.000 4.422 4.057 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 40 VAL H 1 52 ALA H 3.000 . 3.500 2.745 2.383 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 40 VAL MG2 1 54 PRO HD3 4.000 . 6.500 3.266 2.456 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 40 VAL MG2 1 54 PRO HD2 4.000 . 6.500 4.487 3.795 5.202 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 40 VAL MG2 1 54 PRO HA 3.000 . 5.500 2.687 2.040 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 40 VAL MG2 1 54 PRO QB 4.000 . 7.500 2.219 1.793 2.793 0.007 20 0 "[ . 1 . 2 . 3]" 1
310 1 40 VAL MG1 1 41 ILE H 3.000 . 5.000 2.448 2.021 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 40 VAL HA 1 41 ILE H 2.400 . 2.700 2.234 2.190 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 40 VAL HB 1 41 ILE H 4.000 . 5.000 4.007 3.643 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 41 ILE H 1 41 ILE HB 2.400 . 2.700 2.567 2.391 2.703 0.003 7 0 "[ . 1 . 2 . 3]" 1
314 1 41 ILE HA 1 41 ILE MG 2.400 . 4.200 2.323 2.152 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 41 ILE H 1 41 ILE MG 3.000 . 5.000 3.820 3.743 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 28 TYR HA 1 41 ILE H 4.000 . 5.000 4.838 4.527 5.006 0.006 27 0 "[ . 1 . 2 . 3]" 1
317 1 30 GLU HA 1 41 ILE H 3.000 . 4.000 3.253 3.021 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 31 THR H 1 41 ILE H 4.000 . 5.000 4.432 3.954 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 28 TYR QD 1 41 ILE H 4.000 . 6.000 4.418 3.990 4.800 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 29 PHE QD 1 41 ILE HB 4.000 . 6.000 3.031 2.050 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 29 PHE QD 1 41 ILE MG 4.000 . 7.500 3.884 3.466 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 29 PHE QE 1 41 ILE MG 4.000 . 7.500 2.460 1.940 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 29 PHE QE 1 41 ILE MD 4.000 . 7.500 2.361 1.709 4.319 0.091 15 0 "[ . 1 . 2 . 3]" 1
324 1 29 PHE QD 1 41 ILE MD 4.000 . 7.500 3.118 1.851 5.337 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 41 ILE HA 1 51 CYS HA 2.400 . 2.700 2.270 1.917 2.701 0.001 4 0 "[ . 1 . 2 . 3]" 1
326 1 41 ILE MD 1 51 CYS HA 4.000 . 6.500 4.068 1.852 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 41 ILE MG 1 49 ARG HA 4.000 . 6.500 3.744 3.212 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 42 PHE H 1 42 PHE HA 3.000 . 3.500 2.980 2.952 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 42 PHE H 1 42 PHE HB3 4.000 . 5.000 3.608 3.532 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 42 PHE H 1 42 PHE HB2 2.400 . 2.700 2.364 2.255 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 42 PHE HA 1 42 PHE HB3 3.000 . 3.500 2.621 2.501 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 42 PHE H 1 42 PHE QD 3.000 . 5.000 2.907 2.133 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 42 PHE HA 1 42 PHE QD 3.000 . 4.500 2.689 1.998 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 42 PHE HB3 1 42 PHE QD 3.000 . 4.500 2.433 2.306 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 42 PHE HB2 1 42 PHE QD 3.000 . 4.500 2.485 2.305 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 42 PHE HA 1 42 PHE QE 4.000 . 6.000 4.370 4.091 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 41 ILE HA 1 42 PHE H 2.400 . 2.700 2.208 2.189 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 41 ILE HB 1 42 PHE H 4.000 . 5.000 4.226 3.831 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 41 ILE MG 1 42 PHE H 3.000 . 5.000 2.677 2.037 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 42 PHE H 1 49 ARG HA 4.000 . 5.000 4.506 4.171 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 42 PHE H 1 51 CYS HA 4.000 . 5.000 3.630 3.078 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 42 PHE H 1 50 PHE H 4.000 . 5.000 2.854 2.494 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 28 TYR HA 1 42 PHE HA 2.400 . 2.700 2.490 2.017 2.711 0.011 6 0 "[ . 1 . 2 . 3]" 1
344 1 28 TYR HA 1 42 PHE QD 4.000 . 6.000 4.135 3.432 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 28 TYR HB2 1 42 PHE QD 3.000 . 4.500 3.122 1.925 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 28 TYR QD 1 42 PHE QD 4.000 . 7.000 3.843 3.430 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 28 TYR HB2 1 42 PHE QE 3.000 . 4.500 3.442 2.482 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 28 TYR HB3 1 42 PHE QE 3.000 . 4.500 3.158 2.258 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 28 TYR QD 1 42 PHE HA 4.000 . 6.000 4.428 4.105 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 42 PHE QE 1 59 VAL MG2 3.000 . 6.000 2.752 2.085 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 42 PHE QE 1 59 VAL MG1 3.000 . 6.000 2.557 1.846 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 42 PHE HZ 1 59 VAL MG2 4.000 . 6.500 3.388 2.731 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 42 PHE HZ 1 59 VAL MG1 2.400 . 4.200 2.196 1.774 2.743 0.026 24 0 "[ . 1 . 2 . 3]" 1
354 1 42 PHE HZ 1 59 VAL HA 3.000 . 3.500 3.147 2.720 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 43 LEU H 1 43 LEU HA 3.000 . 3.500 2.977 2.966 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 43 LEU H 1 43 LEU HB3 2.400 . 2.700 2.700 2.603 2.761 0.061 11 0 "[ . 1 . 2 . 3]" 1
357 1 43 LEU H 1 43 LEU HB2 2.400 . 2.700 2.682 2.589 2.727 0.027 29 0 "[ . 1 . 2 . 3]" 1
358 1 43 LEU HA 1 43 LEU HB2 3.000 . 3.500 2.574 2.527 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 43 LEU HA 1 43 LEU QD 4.000 . 8.000 2.679 1.814 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 43 LEU H 1 43 LEU QD 4.000 . 8.000 3.770 3.555 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 42 PHE HA 1 43 LEU H 2.400 . 2.700 2.204 2.185 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 42 PHE HB3 1 43 LEU H 3.000 . 3.500 3.353 3.131 3.511 0.011 7 0 "[ . 1 . 2 . 3]" 1
363 1 42 PHE QD 1 43 LEU H 4.000 . 6.000 3.853 2.998 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 43 LEU HA 1 49 ARG HA 2.400 . 2.700 2.370 2.161 2.703 0.003 19 0 "[ . 1 . 2 . 3]" 1
365 1 28 TYR HA 1 43 LEU H 3.000 . 4.000 2.815 2.571 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 43 LEU QD 1 49 ARG HA 4.000 . 8.000 3.732 2.575 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 26 GLU H 1 44 THR HA 2.400 . 2.700 2.623 2.206 2.708 0.008 24 0 "[ . 1 . 2 . 3]" 1
368 1 44 THR HA 1 44 THR MG 2.400 . 4.200 2.444 2.127 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 44 THR HA 1 44 THR HB 2.400 . 2.700 2.409 2.328 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 44 THR H 1 44 THR HA 3.000 . 3.500 2.966 2.907 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 44 THR H 1 44 THR HB 4.000 . 5.000 3.696 3.629 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 44 THR H 1 44 THR MG 2.400 . 4.200 2.305 1.922 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 43 LEU HA 1 44 THR H 2.400 . 2.700 2.230 2.191 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 43 LEU H 1 44 THR H 4.000 . 5.000 4.507 4.326 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 43 LEU QD 1 44 THR H 3.000 . 6.500 2.929 1.838 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 44 THR H 1 47 GLY H 4.000 . 5.000 4.716 4.284 5.021 0.021 14 0 "[ . 1 . 2 . 3]" 1
377 1 44 THR H 1 48 ARG H 3.000 . 3.500 3.036 2.638 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 44 THR H 1 48 ARG QB 4.000 . 5.000 3.684 3.293 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 44 THR H 1 49 ARG HA 4.000 . 5.000 3.273 2.659 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 44 THR H 1 49 ARG QB 4.000 . 6.000 4.082 3.387 5.341 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 43 LEU HA 1 44 THR MG 3.000 . 5.000 3.469 3.240 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 44 THR MG 1 50 PHE QE 2.400 . 5.200 2.047 1.738 2.724 0.062 26 0 "[ . 1 . 2 . 3]" 1
383 1 44 THR MG 1 50 PHE QD 3.000 . 6.000 3.379 2.887 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 44 THR MG 1 50 PHE HZ 4.000 . 6.500 2.938 1.904 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 44 THR MG 1 45 LYS H 4.000 . 6.500 3.874 3.534 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 44 THR HA 1 45 LYS H 2.400 . 2.700 2.496 2.354 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 44 THR HB 1 45 LYS H 3.000 . 3.500 2.463 2.239 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 45 LYS H 1 45 LYS HA 3.000 . 3.500 2.915 2.885 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 45 LYS H 1 45 LYS HB3 2.400 . 2.700 2.629 2.433 2.712 0.012 20 0 "[ . 1 . 2 . 3]" 1
390 1 45 LYS H 1 45 LYS HB2 2.400 . 2.700 2.539 2.447 2.703 0.003 15 0 "[ . 1 . 2 . 3]" 1
391 1 45 LYS HA 1 45 LYS HB2 2.400 . 2.700 2.536 2.428 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 25 LEU MD2 1 45 LYS H 4.000 . 6.500 4.663 4.089 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 45 LYS H 1 47 GLY H 4.000 . 5.000 4.730 4.566 5.009 0.009 29 0 "[ . 1 . 2 . 3]" 1
394 1 43 LEU QD 1 47 GLY H 4.000 . 8.000 3.667 2.988 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 44 THR HG1 1 47 GLY H 4.000 . 5.000 4.024 2.314 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 43 LEU QD 1 47 GLY HA3 3.000 . 6.500 4.423 3.966 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 43 LEU QD 1 47 GLY HA2 3.000 . 6.500 3.097 2.539 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 46 LYS H 1 47 GLY H 2.400 . 2.700 2.712 2.635 2.729 0.029 26 0 "[ . 1 . 2 . 3]" 1
399 1 46 LYS HA 1 47 GLY H 3.000 . 3.500 3.072 2.927 3.564 0.064 27 0 "[ . 1 . 2 . 3]" 1
400 1 46 LYS QB 1 47 GLY H 4.000 . 6.000 3.515 1.882 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 47 GLY H 1 47 GLY HA3 2.400 . 2.700 2.827 2.806 2.885 0.185 27 0 "[ . 1 . 2 . 3]" 1
402 1 47 GLY H 1 47 GLY HA2 2.400 . 2.700 2.394 2.334 2.806 0.106 24 0 "[ . 1 . 2 . 3]" 1
403 1 47 GLY H 1 48 ARG H 2.400 . 2.700 2.640 2.090 2.733 0.033 25 0 "[ . 1 . 2 . 3]" 1
404 1 47 GLY HA3 1 48 ARG H 3.000 . 4.000 3.524 3.479 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 47 GLY HA2 1 48 ARG H 3.000 . 4.000 2.903 2.633 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 44 THR HG1 1 48 ARG H 4.000 . 5.000 2.772 1.872 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 44 THR MG 1 48 ARG H 3.000 . 5.000 3.771 2.631 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 43 LEU HA 1 48 ARG H 4.000 . 5.000 4.698 4.250 4.979 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 43 LEU QD 1 48 ARG H 4.000 . 8.000 3.467 2.636 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 48 ARG H 1 48 ARG HB2 2.400 . 3.200 2.635 2.333 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 48 ARG H 1 48 ARG HB3 3.000 . 3.500 3.196 2.657 3.514 0.014 18 0 "[ . 1 . 2 . 3]" 1
412 1 49 ARG HA 1 49 ARG QB 2.400 . 3.700 2.205 2.189 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 49 ARG HA 1 49 ARG QG 3.000 . 4.500 3.210 2.544 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 48 ARG H 1 49 ARG H 4.000 . 5.000 4.444 4.288 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 48 ARG HA 1 49 ARG H 2.400 . 2.700 2.288 2.194 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 48 ARG HB3 1 49 ARG H 3.000 . 4.500 3.432 2.692 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 43 LEU QD 1 49 ARG H 4.000 . 8.000 4.426 3.523 5.123 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 49 ARG HA 1 50 PHE QD 4.000 . 6.000 3.716 2.931 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 50 PHE H 1 50 PHE HA 3.000 . 3.500 2.962 2.905 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 50 PHE H 1 50 PHE HB3 4.000 . 5.000 3.528 3.298 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 50 PHE H 1 50 PHE HB2 4.000 . 5.000 3.814 3.674 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 50 PHE H 1 50 PHE QD 3.000 . 4.500 2.982 2.554 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 50 PHE HA 1 50 PHE QD 4.000 . 6.000 3.670 3.600 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 50 PHE HA 1 50 PHE HB3 2.400 . 2.700 2.362 2.312 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 50 PHE HA 1 50 PHE HB2 2.400 . 2.700 2.598 2.450 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 50 PHE HB2 1 50 PHE QD 3.000 . 4.500 2.510 2.350 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 50 PHE HB3 1 50 PHE QD 3.000 . 4.500 2.354 2.302 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 49 ARG HA 1 50 PHE H 2.400 . 2.700 2.281 2.200 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 49 ARG QB 1 50 PHE H 2.400 . 3.700 2.910 2.489 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 49 ARG QG 1 50 PHE H 4.000 . 6.000 4.065 3.585 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 41 ILE MG 1 50 PHE H 3.000 . 5.500 2.955 2.518 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 43 LEU HA 1 50 PHE H 4.000 . 5.000 3.997 3.720 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 50 PHE HB3 1 51 CYS H 3.000 . 4.000 3.737 3.421 4.017 0.017 24 0 "[ . 1 . 2 . 3]" 1
434 1 50 PHE HB2 1 51 CYS H 3.000 . 3.500 2.685 2.185 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 50 PHE HA 1 51 CYS H 2.400 . 2.700 2.381 2.251 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 51 CYS H 1 51 CYS HA 3.000 . 3.500 2.922 2.879 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 51 CYS H 1 51 CYS HB3 3.000 . 3.500 3.571 3.512 3.608 0.108 20 0 "[ . 1 . 2 . 3]" 1
438 1 51 CYS H 1 51 CYS HB2 2.400 . 2.700 2.344 2.193 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 51 CYS HA 1 51 CYS HB3 3.000 . 3.500 2.559 2.391 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 41 ILE HG12 1 51 CYS HA 4.000 . 5.000 3.304 2.494 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 41 ILE HG13 1 51 CYS HA 4.000 . 5.000 3.881 2.932 5.005 0.005 4 0 "[ . 1 . 2 . 3]" 1
442 1 16 THR HB 1 51 CYS H 4.000 . 5.000 4.372 3.596 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 16 THR MG 1 51 CYS H 4.000 . 6.500 4.428 3.680 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 12 CYS HB3 1 51 CYS HB3 4.000 . 5.000 2.872 2.270 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 12 CYS HB3 1 51 CYS HB2 4.000 . 5.000 3.397 2.718 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 15 TYR HA 1 51 CYS HB3 4.000 . 5.000 3.267 2.698 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 15 TYR HA 1 51 CYS HB2 4.000 . 5.000 2.332 1.877 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 15 TYR QD 1 51 CYS HB2 3.000 . 4.000 2.899 1.905 4.007 0.007 14 0 "[ . 1 . 2 . 3]" 1
449 1 15 TYR QD 1 51 CYS HB3 3.000 . 4.000 2.334 1.864 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 52 ALA H 1 52 ALA HA 3.000 . 3.500 2.973 2.948 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 52 ALA H 1 52 ALA MB 2.400 . 4.200 2.585 2.429 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 51 CYS HA 1 52 ALA H 2.400 . 2.700 2.340 2.235 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 51 CYS HB3 1 52 ALA H 4.000 . 5.000 2.787 2.481 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 51 CYS HB2 1 52 ALA H 4.000 . 5.000 3.954 3.568 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 20 ILE MD 1 52 ALA MB 4.000 . 8.000 4.584 2.173 5.474 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 40 VAL MG1 1 52 ALA H 4.000 . 6.500 4.415 3.777 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 40 VAL MG2 1 52 ALA H 4.000 . 6.500 4.369 3.878 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 40 VAL MG1 1 52 ALA MB 4.000 . 8.000 3.445 2.828 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 42 PHE QD 1 52 ALA MB 3.000 . 6.000 2.270 1.824 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 42 PHE QE 1 52 ALA MB 3.000 . 6.000 2.468 1.855 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 52 ALA HA 1 53 ASN H 2.400 . 2.700 2.378 2.244 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 52 ALA MB 1 53 ASN H 2.400 . 4.200 2.654 2.251 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 52 ALA MB 1 59 VAL MG1 2.400 . 5.700 3.070 2.264 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 52 ALA MB 1 59 VAL MG2 2.400 . 5.700 2.278 1.890 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 53 ASN H 1 56 ASP HB2 4.000 . 5.000 3.951 3.388 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 53 ASN H 1 59 VAL MG1 4.000 . 6.500 4.755 3.946 5.236 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 53 ASN H 1 59 VAL MG2 3.000 . 4.500 3.247 2.822 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 53 ASN H 1 53 ASN HA 3.000 . 3.500 2.925 2.866 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 53 ASN H 1 53 ASN HB3 2.400 . 2.700 2.669 2.501 2.741 0.041 25 0 "[ . 1 . 2 . 3]" 1
470 1 53 ASN H 1 53 ASN HB2 2.400 . 2.700 2.526 2.427 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 53 ASN HA 1 53 ASN HB2 2.400 . 2.700 2.559 2.464 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 53 ASN HA 1 54 PRO HD3 2.400 . 2.700 1.988 1.956 2.079 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 53 ASN HA 1 54 PRO HD2 2.400 . 2.700 2.250 2.118 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 54 PRO HA 1 54 PRO HB3 3.000 . 3.500 2.304 2.303 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 54 PRO HA 1 59 VAL HB 4.000 . 5.000 3.624 2.723 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 54 PRO HA 1 59 VAL MG1 2.400 . 4.200 2.436 1.851 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 54 PRO HA 1 59 VAL MG2 4.000 . 6.500 3.723 2.748 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 55 SER H 1 55 SER HA 3.000 . 3.500 2.970 2.933 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 55 SER H 1 55 SER HB2 2.400 . 2.700 2.490 2.225 2.716 0.016 25 0 "[ . 1 . 2 . 3]" 1
480 1 55 SER HA 1 55 SER HB3 2.400 . 2.700 2.510 2.371 2.717 0.017 14 0 "[ . 1 . 2 . 3]" 1
481 1 54 PRO HA 1 55 SER H 4.000 . 5.000 3.374 3.306 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 53 ASN HB3 1 55 SER H 4.000 . 5.000 3.211 2.912 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 53 ASN HB2 1 55 SER H 4.000 . 5.000 4.287 4.126 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 55 SER H 1 56 ASP HB3 4.000 . 5.000 4.682 4.381 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 55 SER H 1 56 ASP HB2 4.000 . 5.000 4.309 4.037 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 55 SER H 1 56 ASP H 2.400 . 2.700 2.280 2.106 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 55 SER HA 1 56 ASP H 4.000 . 5.000 3.324 3.224 3.384 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 55 SER HB2 1 56 ASP H 4.000 . 5.000 3.514 3.321 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 56 ASP H 1 56 ASP HA 3.000 . 3.500 2.913 2.890 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 56 ASP H 1 56 ASP HB3 2.400 . 2.700 2.586 2.438 2.715 0.015 29 0 "[ . 1 . 2 . 3]" 1
491 1 56 ASP H 1 56 ASP HB2 2.400 . 2.700 2.576 2.444 2.704 0.004 28 0 "[ . 1 . 2 . 3]" 1
492 1 56 ASP HA 1 56 ASP HB2 2.400 . 2.700 2.514 2.436 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 56 ASP HA 1 57 LYS H 2.400 . 2.700 2.204 2.189 2.236 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 56 ASP H 1 57 LYS H 4.000 . 5.000 4.543 4.400 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 53 ASN H 1 56 ASP H 4.000 . 5.000 4.806 4.609 5.008 0.008 15 0 "[ . 1 . 2 . 3]" 1
496 1 56 ASP H 1 59 VAL MG1 4.000 . 6.500 4.069 3.631 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 56 ASP H 1 59 VAL MG2 4.000 . 6.500 3.360 3.055 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 56 ASP HB3 1 59 VAL MG2 2.400 . 4.200 1.849 1.769 2.071 0.031 28 0 "[ . 1 . 2 . 3]" 1
499 1 56 ASP HB2 1 59 VAL MG2 3.000 . 5.000 2.954 2.733 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 57 LYS H 1 57 LYS HA 3.000 . 3.500 2.826 2.774 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 57 LYS H 1 57 LYS HB3 2.400 . 3.700 3.095 2.183 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 57 LYS H 1 57 LYS HG3 3.000 . 4.000 2.849 1.899 4.096 0.096 30 0 "[ . 1 . 2 . 3]" 1
503 1 57 LYS HA 1 58 GLN H 4.000 . 5.000 3.546 3.474 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 57 LYS HA 1 59 VAL H 3.000 . 4.000 4.001 3.927 4.019 0.019 27 0 "[ . 1 . 2 . 3]" 1
505 1 57 LYS HA 1 60 GLN H 3.000 . 3.500 3.300 3.085 3.503 0.003 11 0 "[ . 1 . 2 . 3]" 1
506 1 57 LYS HA 1 60 GLN QB 3.000 . 4.500 3.094 2.379 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 57 LYS HA 1 60 GLN HG3 4.000 . 5.000 3.270 2.429 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 57 LYS HA 1 60 GLN HG2 4.000 . 5.000 3.732 1.866 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 56 ASP HB3 1 57 LYS H 4.000 . 5.000 4.172 3.911 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 56 ASP HB2 1 57 LYS H 4.000 . 5.000 4.354 4.205 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 57 LYS H 1 58 GLN H 3.000 . 4.000 2.775 2.596 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 58 GLN H 1 58 GLN HG3 3.000 . 4.500 3.558 1.980 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 58 GLN H 1 58 GLN HA 3.000 . 3.500 2.858 2.825 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 58 GLN HA 1 58 GLN QB 2.400 . 3.700 2.445 2.196 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 58 GLN H 1 58 GLN QB 2.400 . 3.700 2.260 2.068 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 58 GLN H 1 58 GLN QG 3.000 . 4.500 3.071 1.863 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 58 GLN HA 1 61 VAL H 3.000 . 3.500 3.495 3.424 3.523 0.023 27 0 "[ . 1 . 2 . 3]" 1
518 1 58 GLN HA 1 61 VAL HB 3.000 . 3.500 2.676 2.400 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 58 GLN HA 1 61 VAL MG1 4.000 . 6.500 3.982 3.661 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 58 GLN HA 1 61 VAL MG2 3.000 . 5.000 3.041 2.154 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 58 GLN H 1 61 VAL MG2 4.000 . 6.500 4.440 4.108 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 58 GLN H 1 59 VAL H 2.400 . 2.700 2.637 2.429 2.718 0.018 10 0 "[ . 1 . 2 . 3]" 1
523 1 58 GLN H 1 60 GLN H 4.000 . 5.000 4.309 4.111 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 56 ASP HA 1 58 GLN H 4.000 . 5.000 3.941 3.551 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 56 ASP HB3 1 58 GLN H 4.000 . 5.000 3.907 3.426 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 57 LYS HB3 1 58 GLN H 3.000 . 4.500 3.737 2.710 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 58 GLN QB 1 59 VAL H 3.000 . 4.500 2.908 2.756 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 59 VAL H 1 59 VAL HA 3.000 . 3.500 2.910 2.894 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 59 VAL H 1 59 VAL HB 2.400 . 2.700 2.371 2.312 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 59 VAL HA 1 59 VAL MG1 2.400 . 4.200 2.416 2.348 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 59 VAL HA 1 59 VAL MG2 2.400 . 4.200 2.270 2.149 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 59 VAL H 1 59 VAL MG1 3.000 . 5.000 3.743 3.719 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 59 VAL H 1 59 VAL MG2 2.400 . 4.200 2.471 2.268 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 56 ASP HB3 1 59 VAL HB 4.000 . 5.000 2.462 1.870 3.249 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 56 ASP HA 1 59 VAL H 4.000 . 5.000 4.321 4.150 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 56 ASP HB3 1 59 VAL MG1 4.000 . 6.500 3.829 3.329 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 56 ASP HB3 1 59 VAL H 3.000 . 3.500 2.582 2.348 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 57 LYS HG3 1 59 VAL H 4.000 . 6.000 5.346 4.329 5.990 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 58 GLN HA 1 59 VAL H 4.000 . 5.000 3.505 3.468 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 59 VAL HB 1 60 GLN H 2.400 . 2.700 2.605 2.378 2.706 0.006 21 0 "[ . 1 . 2 . 3]" 1
541 1 59 VAL HA 1 60 GLN H 4.000 . 5.000 3.561 3.537 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 59 VAL H 1 60 GLN H 2.400 . 2.700 2.540 2.418 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 60 GLN H 1 60 GLN HA 3.000 . 3.500 2.880 2.839 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 60 GLN H 1 60 GLN HB3 2.400 . 3.700 3.300 2.495 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 60 GLN H 1 60 GLN HG3 2.400 . 3.700 2.741 1.894 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 60 GLN HA 1 60 GLN HB2 3.000 . 4.500 2.856 2.404 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 60 GLN HA 1 60 GLN HG3 3.000 . 4.000 3.409 2.653 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 60 GLN HA 1 60 GLN HG2 3.000 . 4.000 2.889 2.152 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 59 VAL MG1 1 60 GLN H 3.000 . 5.000 3.253 3.006 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 59 VAL MG2 1 60 GLN H 3.000 . 5.000 3.946 3.852 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 60 GLN HA 1 63 MET H 3.000 . 3.500 3.463 3.281 3.528 0.028 20 0 "[ . 1 . 2 . 3]" 1
552 1 60 GLN HA 1 63 MET QB 3.000 . 4.500 2.942 2.146 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 56 ASP HB3 1 60 GLN H 4.000 . 5.000 4.299 3.966 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 59 VAL HB 1 61 VAL H 4.000 . 5.000 4.884 4.683 5.004 0.004 21 0 "[ . 1 . 2 . 3]" 1
555 1 61 VAL HA 1 61 VAL HB 3.000 . 3.500 3.031 3.028 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 61 VAL H 1 61 VAL HA 3.000 . 3.500 2.903 2.868 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 61 VAL H 1 61 VAL HB 3.000 . 3.500 2.442 2.363 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 61 VAL HA 1 61 VAL MG1 2.400 . 4.200 2.393 2.199 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 61 VAL HA 1 61 VAL MG2 2.400 . 4.200 2.305 2.153 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 61 VAL H 1 61 VAL MG1 4.000 . 6.500 3.759 3.738 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 61 VAL H 1 61 VAL MG2 2.400 . 4.200 2.369 2.060 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 61 VAL HA 1 62 CYS H 4.000 . 5.000 3.530 3.471 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 61 VAL HA 1 64 ARG QB 3.000 . 4.500 3.329 2.782 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 61 VAL HB 1 62 CYS H 4.000 . 5.000 2.755 2.405 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 61 VAL MG2 1 62 CYS H 4.000 . 6.500 3.939 3.675 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 61 VAL MG1 1 62 CYS H 4.000 . 6.500 3.503 3.216 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 61 VAL MG1 1 62 CYS HA 4.000 . 5.000 3.505 3.218 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 61 VAL H 1 62 CYS H 3.000 . 3.500 2.524 2.461 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 62 CYS H 1 62 CYS HB2 3.000 . 3.500 2.311 2.089 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 62 CYS H 1 62 CYS HB3 3.000 . 3.500 3.091 2.396 3.605 0.105 21 0 "[ . 1 . 2 . 3]" 1
571 1 62 CYS H 1 62 CYS HA 3.000 . 3.500 2.905 2.833 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 62 CYS HA 1 62 CYS HB3 3.000 . 4.000 2.862 2.383 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 62 CYS HA 1 62 CYS HB2 3.000 . 4.000 2.771 2.407 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 60 GLN HA 1 62 CYS H 4.000 . 5.000 4.324 4.033 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 62 CYS HA 1 65 MET HB3 4.000 . 5.000 2.987 2.107 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 42 PHE HZ 1 62 CYS HB2 4.000 . 5.000 4.188 2.763 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 42 PHE HZ 1 62 CYS HB3 4.000 . 5.000 3.550 2.111 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 42 PHE QE 1 62 CYS HB3 4.000 . 6.000 2.958 2.214 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 59 VAL HA 1 62 CYS H 3.000 . 4.000 3.433 3.239 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 59 VAL HA 1 62 CYS HB2 4.000 . 5.000 3.135 2.442 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 59 VAL HA 1 62 CYS HB3 4.000 . 5.000 3.638 2.772 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 28 TYR QE 1 63 MET HA 4.000 . 6.000 2.985 1.931 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 28 TYR QD 1 63 MET HA 4.000 . 6.000 4.300 3.609 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 63 MET H 1 63 MET HA 3.000 . 3.500 2.834 2.776 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 63 MET H 1 63 MET QB 2.400 . 3.700 2.345 2.070 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 63 MET H 1 63 MET QG 2.400 . 3.700 2.515 1.903 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 63 MET HA 1 63 MET HG3 4.000 . 5.000 3.351 2.239 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 63 MET HA 1 63 MET HG2 4.000 . 5.000 3.159 1.944 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 62 CYS H 1 63 MET H 3.000 . 3.500 2.516 2.389 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 62 CYS HA 1 63 MET H 4.000 . 5.000 3.536 3.451 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 62 CYS HB3 1 63 MET H 3.000 . 4.000 3.039 2.521 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 62 CYS HB2 1 63 MET H 3.000 . 4.000 3.392 2.646 4.008 0.008 13 0 "[ . 1 . 2 . 3]" 1
593 1 63 MET H 1 64 ARG H 3.000 . 3.500 2.745 2.558 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 61 VAL MG1 1 64 ARG H 4.000 . 6.500 4.624 4.166 5.283 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 61 VAL HA 1 64 ARG H 4.000 . 5.000 3.779 3.535 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 62 CYS HA 1 64 ARG H 4.000 . 5.000 3.995 3.524 5.002 0.002 12 0 "[ . 1 . 2 . 3]" 1
597 1 64 ARG H 1 64 ARG QB 2.400 . 3.700 2.224 2.065 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 64 ARG H 1 64 ARG QD 3.850 . 6.000 4.180 2.947 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 64 ARG H 1 65 MET H 3.000 . 3.500 2.549 2.336 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 62 CYS HA 1 65 MET H 4.000 . 5.000 3.240 2.804 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 64 ARG HA 1 65 MET H 4.000 . 5.000 3.523 3.406 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 65 MET H 1 65 MET HA 3.000 . 3.500 2.895 2.826 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 65 MET H 1 65 MET HB3 2.400 . 3.700 2.628 2.392 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 65 MET H 1 65 MET HG3 4.000 . 6.000 4.439 4.267 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 65 MET HA 1 65 MET HB2 2.400 . 2.700 2.522 2.400 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 63 MET HA 1 66 LEU MD1 4.000 . 7.500 3.991 1.911 6.046 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 63 MET HA 1 66 LEU H 4.000 . 5.000 3.732 3.215 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 64 ARG HA 1 66 LEU H 4.000 . 5.000 4.799 4.386 5.005 0.005 14 0 "[ . 1 . 2 . 3]" 1
609 1 28 TYR QD 1 66 LEU HB3 3.000 . 5.000 2.962 2.136 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 28 TYR QD 1 66 LEU HB2 4.000 . 6.000 3.222 2.517 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 28 TYR QE 1 66 LEU HB3 4.000 . 6.000 2.431 1.945 3.066 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 28 TYR QE 1 66 LEU HB2 4.000 . 6.000 2.224 1.875 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 28 TYR QE 1 66 LEU MD1 4.000 . 7.500 3.368 1.978 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 28 TYR QD 1 66 LEU MD1 4.000 . 7.500 2.691 1.849 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 28 TYR QD 1 66 LEU MD2 4.000 . 7.500 3.361 1.953 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 66 LEU H 1 66 LEU HB2 3.000 . 3.500 2.312 2.200 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 66 LEU HA 1 66 LEU HB3 3.000 . 4.000 2.596 2.451 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 66 LEU H 1 66 LEU MD1 4.000 . 6.500 3.224 2.028 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 66 LEU H 1 66 LEU MD2 4.000 . 6.500 3.582 1.841 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 66 LEU HA 1 66 LEU MD1 4.000 . 6.500 3.331 1.854 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 66 LEU HA 1 66 LEU MD2 4.000 . 6.500 2.481 1.849 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 67 LYS H 1 67 LYS HA 3.000 . 3.500 2.841 2.765 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 67 LYS H 1 67 LYS QB 2.400 . 3.700 2.273 2.064 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 67 LYS H 1 67 LYS QG 3.000 . 4.500 3.125 1.909 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 64 ARG HA 1 67 LYS H 4.000 . 6.000 4.610 3.269 5.972 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 65 MET HA 1 67 LYS H 4.000 . 5.000 4.035 3.590 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 68 LEU H 1 68 LEU HA 3.000 . 3.500 2.910 2.828 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 68 LEU HA 1 68 LEU MD2 3.000 . 5.500 2.690 1.861 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 68 LEU HA 1 69 ASP H 3.000 . 3.500 2.556 2.191 3.516 0.016 18 0 "[ . 1 . 2 . 3]" 1
630 1 67 LYS HA 1 68 LEU H 3.000 . 3.500 2.864 2.266 3.570 0.070 24 0 "[ . 1 . 2 . 3]" 1
631 1 67 LYS QB 1 68 LEU H 2.400 . 3.700 2.604 1.822 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 68 LEU H 1 68 LEU QB 2.400 . 3.700 2.304 2.066 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 68 LEU HA 1 68 LEU MD1 3.000 . 5.500 3.207 1.882 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 68 LEU H 1 69 ASP H 4.000 . 5.000 3.901 2.237 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 68 LEU QB 1 69 ASP H 3.000 . 4.500 3.474 1.803 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 68 LEU MD1 1 69 ASP H 4.000 . 8.000 4.447 2.084 5.625 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 69 ASP H 1 69 ASP HA 3.000 . 4.000 2.918 2.817 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 69 ASP H 1 69 ASP HB3 3.000 . 3.500 3.038 2.543 3.510 0.010 15 0 "[ . 1 . 2 . 3]" 1
639 1 69 ASP H 1 69 ASP HB2 3.000 . 3.500 2.485 2.108 3.593 0.093 11 0 "[ . 1 . 2 . 3]" 1
640 1 69 ASP HA 1 69 ASP HB3 2.400 . 3.200 2.822 2.321 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 69 ASP HA 1 69 ASP HB2 2.400 . 3.200 2.739 2.476 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 69 ASP H 1 70 THR H 3.000 . 4.000 3.195 2.390 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 69 ASP HB2 1 70 THR H 4.000 . 5.000 3.959 2.048 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 69 ASP HB3 1 70 THR H 4.000 . 5.000 3.657 1.878 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 68 LEU QB 1 70 THR H 4.000 . 6.500 3.999 2.769 5.729 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 69 ASP HA 1 70 THR H 4.000 . 5.000 3.017 2.363 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 70 THR H 1 70 THR HA 3.000 . 3.500 2.714 2.344 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 70 THR H 1 70 THR HB 4.000 . 6.500 3.526 2.498 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 70 THR H 1 70 THR MG 3.000 . 5.000 3.309 2.025 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 71 ARG HA 1 71 ARG QG 3.470 . 5.240 2.240 1.929 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 71 ARG HA 1 72 ILE H 2.810 . 3.930 2.611 2.187 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 70 THR HA 1 71 ARG H 3.020 . 4.340 2.671 2.191 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 70 THR H 1 71 ARG H 3.480 . 5.260 3.691 2.089 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 70 THR MG 1 71 ARG H 3.850 . 6.000 3.475 1.943 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 71 ARG H 1 71 ARG HB3 3.020 . 4.340 3.537 2.835 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 71 ARG H 1 71 ARG QG 3.620 . 5.540 3.530 2.098 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 71 ARG H 1 72 ILE H 3.180 . 4.660 3.667 1.845 4.672 0.012 29 0 "[ . 1 . 2 . 3]" 1
658 1 72 ILE H 1 72 ILE HB 2.810 . 3.910 3.410 2.463 4.014 0.104 28 0 "[ . 1 . 2 . 3]" 1
659 1 72 ILE H 1 72 ILE HA 2.700 . 3.700 2.812 2.346 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 72 ILE H 1 72 ILE HG13 2.850 . 4.000 2.662 1.915 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 72 ILE H 1 72 ILE HG12 2.790 . 3.890 3.042 2.129 3.900 0.010 26 0 "[ . 1 . 2 . 3]" 1
662 1 72 ILE H 1 72 ILE MG 3.380 . 5.060 3.524 2.453 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 72 ILE HA 1 73 LYS H 2.380 . 3.050 2.619 2.194 3.087 0.037 26 0 "[ . 1 . 2 . 3]" 1
664 1 72 ILE H 1 73 LYS H 2.830 . 3.960 3.390 2.207 4.030 0.070 26 0 "[ . 1 . 2 . 3]" 1
665 1 72 ILE MG 1 73 LYS H 3.800 . 5.900 3.763 1.842 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 73 LYS H 1 73 LYS HA 2.770 . 3.840 2.872 2.346 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 73 LYS H 1 73 LYS HB3 2.670 . 3.630 3.165 2.468 3.651 0.021 30 0 "[ . 1 . 2 . 3]" 1
668 1 73 LYS H 1 73 LYS HB2 2.620 . 3.540 2.765 2.117 3.602 0.062 23 0 "[ . 1 . 2 . 3]" 1
669 1 73 LYS H 1 73 LYS QG 3.370 . 5.040 3.386 1.817 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 74 THR HA 1 75 ARG H 3.100 . 4.500 2.717 2.192 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 73 LYS HA 1 74 THR H 3.070 . 4.440 2.801 2.193 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 75 ARG H 1 75 ARG HB3 3.480 . 5.260 3.537 2.480 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 76 LYS H 1 77 ASN HA 2.980 . 4.250 4.175 4.001 4.255 0.005 18 0 "[ . 1 . 2 . 3]" 1
674 1 76 LYS HA 1 77 ASN H 3.040 . 4.380 3.205 2.243 3.588 . 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 36
_Distance_constraint_stats_list.Viol_count 134
_Distance_constraint_stats_list.Viol_total 57.201
_Distance_constraint_stats_list.Viol_max 0.052
_Distance_constraint_stats_list.Viol_rms 0.0071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0142
_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 16 THR 0.095 0.012 15 0 "[ . 1 . 2 . 3]"
1 27 SER 0.012 0.006 1 0 "[ . 1 . 2 . 3]"
1 29 PHE 0.051 0.018 24 0 "[ . 1 . 2 . 3]"
1 31 THR 0.036 0.012 24 0 "[ . 1 . 2 . 3]"
1 32 ASN 0.001 0.001 13 0 "[ . 1 . 2 . 3]"
1 35 CYS 0.001 0.001 13 0 "[ . 1 . 2 . 3]"
1 39 GLY 0.036 0.012 24 0 "[ . 1 . 2 . 3]"
1 40 VAL 0.059 0.016 13 0 "[ . 1 . 2 . 3]"
1 41 ILE 0.051 0.018 24 0 "[ . 1 . 2 . 3]"
1 42 PHE 0.140 0.038 19 0 "[ . 1 . 2 . 3]"
1 43 LEU 0.012 0.006 1 0 "[ . 1 . 2 . 3]"
1 44 THR 0.043 0.017 20 0 "[ . 1 . 2 . 3]"
1 48 ARG 0.043 0.017 20 0 "[ . 1 . 2 . 3]"
1 50 PHE 0.140 0.038 19 0 "[ . 1 . 2 . 3]"
1 51 CYS 0.095 0.012 15 0 "[ . 1 . 2 . 3]"
1 52 ALA 0.059 0.016 13 0 "[ . 1 . 2 . 3]"
1 53 ASN 1.224 0.052 23 0 "[ . 1 . 2 . 3]"
1 56 ASP 1.308 0.052 23 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.022 0.013 28 0 "[ . 1 . 2 . 3]"
1 58 GLN 0.136 0.019 18 0 "[ . 1 . 2 . 3]"
1 59 VAL 0.012 0.005 30 0 "[ . 1 . 2 . 3]"
1 60 GLN 0.076 0.017 20 0 "[ . 1 . 2 . 3]"
1 61 VAL 0.022 0.013 28 0 "[ . 1 . 2 . 3]"
1 62 CYS 0.136 0.019 18 0 "[ . 1 . 2 . 3]"
1 63 MET 0.003 0.003 26 0 "[ . 1 . 2 . 3]"
1 66 LEU 0.000 0.000 . 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 16 THR H 1 51 CYS O 2.000 . 2.300 2.277 2.028 2.312 0.012 15 0 "[ . 1 . 2 . 3]" 2
2 1 29 PHE H 1 41 ILE O 2.000 . 2.300 2.092 1.897 2.305 0.005 12 0 "[ . 1 . 2 . 3]" 2
3 1 31 THR H 1 39 GLY O 2.000 . 2.300 2.228 1.946 2.312 0.012 24 0 "[ . 1 . 2 . 3]" 2
4 1 32 ASN O 1 35 CYS H 2.000 . 2.300 2.074 1.728 2.301 0.001 13 0 "[ . 1 . 2 . 3]" 2
5 1 40 VAL H 1 52 ALA O 2.000 . 2.300 2.268 2.086 2.316 0.016 13 0 "[ . 1 . 2 . 3]" 2
6 1 29 PHE O 1 41 ILE H 2.000 . 2.300 1.852 1.682 2.087 0.018 24 0 "[ . 1 . 2 . 3]" 2
7 1 42 PHE H 1 50 PHE O 2.000 . 2.300 1.991 1.740 2.263 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 27 SER O 1 43 LEU H 2.000 . 2.300 1.839 1.694 2.144 0.006 1 0 "[ . 1 . 2 . 3]" 2
9 1 44 THR H 1 48 ARG O 2.000 . 2.300 1.827 1.683 2.312 0.017 20 0 "[ . 1 . 2 . 3]" 2
10 1 42 PHE O 1 50 PHE H 2.000 . 2.300 2.281 2.137 2.338 0.038 19 0 "[ . 1 . 2 . 3]" 2
11 1 40 VAL O 1 52 ALA H 2.000 . 2.300 1.837 1.699 2.160 0.001 22 0 "[ . 1 . 2 . 3]" 2
12 1 16 THR N 1 51 CYS O 3.000 2.500 3.300 3.193 3.002 3.271 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 29 PHE N 1 41 ILE O 3.000 2.500 3.300 2.981 2.760 3.200 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 31 THR N 1 39 GLY O 3.000 2.500 3.300 3.141 2.890 3.280 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 32 ASN O 1 35 CYS N 3.000 2.500 3.300 3.005 2.672 3.239 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 40 VAL N 1 52 ALA O 3.000 2.500 3.300 3.212 3.040 3.290 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 29 PHE O 1 41 ILE N 3.000 2.500 3.300 2.800 2.597 3.064 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 42 PHE N 1 50 PHE O 3.000 2.500 3.300 2.921 2.678 3.207 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 27 SER O 1 43 LEU N 3.000 2.500 3.300 2.793 2.578 3.088 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 44 THR N 1 48 ARG O 3.000 2.500 3.300 2.751 2.588 3.097 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 42 PHE O 1 50 PHE N 3.000 2.500 3.300 3.166 3.037 3.241 . 0 0 "[ . 1 . 2 . 3]" 2
22 1 40 VAL O 1 52 ALA N 3.000 2.500 3.300 2.598 2.499 2.800 0.001 24 0 "[ . 1 . 2 . 3]" 2
23 1 56 ASP O 1 59 VAL H 2.000 . 2.300 2.048 1.700 2.305 0.005 30 0 "[ . 1 . 2 . 3]" 2
24 1 53 ASN O 1 56 ASP H 2.000 . 2.300 2.340 2.324 2.352 0.052 23 0 "[ . 1 . 2 . 3]" 2
25 1 56 ASP O 1 60 GLN H 2.000 . 2.300 2.213 1.978 2.317 0.017 20 0 "[ . 1 . 2 . 3]" 2
26 1 57 LYS O 1 61 VAL H 2.000 . 2.300 2.028 1.744 2.313 0.013 28 0 "[ . 1 . 2 . 3]" 2
27 1 58 GLN O 1 62 CYS H 2.000 . 2.300 2.270 2.053 2.319 0.019 18 0 "[ . 1 . 2 . 3]" 2
28 1 59 VAL O 1 63 MET H 2.000 . 2.300 2.084 1.764 2.303 0.003 26 0 "[ . 1 . 2 . 3]" 2
29 1 62 CYS O 1 66 LEU H 2.000 . 2.300 1.973 1.767 2.271 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 56 ASP O 1 59 VAL N 3.000 2.500 3.300 2.801 2.505 3.053 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 53 ASN O 1 56 ASP N 3.000 2.500 3.300 3.287 3.271 3.306 0.006 16 0 "[ . 1 . 2 . 3]" 2
32 1 56 ASP O 1 60 GLN N 3.000 2.500 3.300 3.143 2.913 3.263 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 57 LYS O 1 61 VAL N 3.000 2.500 3.300 2.926 2.659 3.214 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 58 GLN O 1 62 CYS N 3.000 2.500 3.300 3.111 2.969 3.259 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 59 VAL O 1 63 MET N 3.000 2.500 3.300 2.985 2.664 3.211 . 0 0 "[ . 1 . 2 . 3]" 2
36 1 62 CYS O 1 66 LEU N 3.000 2.500 3.300 2.918 2.731 3.181 . 0 0 "[ . 1 . 2 . 3]" 2
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