NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645654 |
6r28   |
34380 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6r28
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 348
_Distance_constraint_stats_list.Viol_count 1378
_Distance_constraint_stats_list.Viol_total 3481.872
_Distance_constraint_stats_list.Viol_max 0.743
_Distance_constraint_stats_list.Viol_rms 0.0328
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0722
_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 PRO 0.794 0.743 5 1 "[ + 1 . 2 . 3 .]"
1 2 SER 4.334 0.286 20 0 "[ . 1 . 2 . 3 .]"
1 3 ILE 5.362 0.475 34 0 "[ . 1 . 2 . 3 .]"
1 5 HIS 9.524 0.208 21 0 "[ . 1 . 2 . 3 .]"
1 6 VAL 18.606 0.250 15 0 "[ . 1 . 2 . 3 .]"
1 7 HIS 7.822 0.177 18 0 "[ . 1 . 2 . 3 .]"
1 8 ARG 22.016 0.370 4 0 "[ . 1 . 2 . 3 .]"
1 9 PRO 14.774 0.475 34 0 "[ . 1 . 2 . 3 .]"
1 10 ASP 5.489 0.277 21 0 "[ . 1 . 2 . 3 .]"
1 11 TRP 27.721 0.163 11 0 "[ . 1 . 2 . 3 .]"
1 12 PRO 17.809 0.278 16 0 "[ . 1 . 2 . 3 .]"
1 13 CYS 12.842 0.286 20 0 "[ . 1 . 2 . 3 .]"
1 14 TRP 23.152 0.743 5 1 "[ + 1 . 2 . 3 .]"
1 15 TYR 22.333 0.278 16 0 "[ . 1 . 2 . 3 .]"
1 16 ARG 0.009 0.009 25 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 1 PRO HB2 1 1 PRO HD2 4.000 . 6.000 3.438 2.933 4.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
2 1 1 PRO HB2 1 1 PRO HG3 2.600 . 3.500 2.876 2.689 2.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
3 1 1 PRO HB3 1 1 PRO HD2 3.500 . 5.100 3.914 3.860 4.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
4 1 1 PRO HB3 1 1 PRO HD3 3.600 . 5.200 3.627 2.969 4.062 . 0 0 "[ . 1 . 2 . 3 .]" 1
5 1 1 PRO HB3 1 14 TRP HZ2 3.500 . 6.000 5.078 4.040 6.743 0.743 5 1 "[ + 1 . 2 . 3 .]" 1
6 1 1 PRO HD2 1 1 PRO HG3 3.000 . 4.100 2.865 2.662 3.010 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 2 SER HA 1 2 SER HB2 2.400 . 3.100 2.931 2.471 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 2 SER HA 1 3 ILE H 2.700 . 3.600 2.380 2.113 3.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
9 1 2 SER HB2 1 13 CYS HB2 3.900 . 5.800 4.790 3.867 5.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
10 1 2 SER QB 1 3 ILE H 3.600 . 5.200 3.487 2.601 3.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 2 SER HB2 1 13 CYS QB 3.700 . 6.000 5.098 3.938 6.043 0.043 17 0 "[ . 1 . 2 . 3 .]" 1
12 1 2 SER HB3 1 13 CYS QB 3.900 . 5.800 5.726 4.544 6.086 0.286 20 0 "[ . 1 . 2 . 3 .]" 1
13 1 3 ILE H 1 3 ILE HB 3.100 . 4.300 2.758 2.457 3.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
14 1 3 ILE H 1 3 ILE HG12 3.400 . 4.900 3.390 2.412 3.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
15 1 3 ILE H 1 3 ILE HG13 3.300 . 4.700 2.290 2.035 3.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 3 ILE H 1 3 ILE MG 3.400 . 4.800 3.824 3.775 4.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
17 1 3 ILE HA 1 3 ILE HB 2.600 . 3.400 3.014 3.005 3.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
18 1 3 ILE HA 1 3 ILE MD 2.700 . 6.000 3.826 2.002 3.905 . 0 0 "[ . 1 . 2 . 3 .]" 1
19 1 3 ILE HA 1 3 ILE HG12 2.800 . 3.800 2.647 2.585 2.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
20 1 3 ILE HA 1 3 ILE HG13 2.700 . 3.600 3.122 3.032 3.690 0.090 12 0 "[ . 1 . 2 . 3 .]" 1
21 1 3 ILE HA 1 3 ILE MG 2.300 . 2.900 2.333 2.292 2.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
22 1 3 ILE HB 1 3 ILE MD 2.500 . 3.300 2.434 2.379 3.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
23 1 3 ILE HB 1 3 ILE HG12 2.500 . 3.300 3.010 2.472 3.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
24 1 3 ILE HB 1 3 ILE MG 1.800 . 2.200 2.129 2.120 2.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
25 1 3 ILE HB 1 5 HIS H 3.700 . 5.400 5.414 5.049 5.485 0.085 30 0 "[ . 1 . 2 . 3 .]" 1
26 1 3 ILE MD 1 3 ILE HG12 2.400 . 3.100 2.118 2.113 2.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
27 1 3 ILE MD 1 3 ILE HG13 1.900 . 2.300 2.120 2.115 2.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
28 1 3 ILE MD 1 9 PRO QD 3.900 . 5.600 4.487 4.196 4.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
29 1 3 ILE MD 1 9 PRO QD 3.300 . 6.000 4.780 4.389 5.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
30 1 3 ILE MD 1 9 PRO HA 2.800 . 3.800 2.421 1.986 3.304 . 0 0 "[ . 1 . 2 . 3 .]" 1
31 1 3 ILE MD 1 9 PRO QD 3.600 . 6.000 4.955 4.501 5.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
32 1 3 ILE HG12 1 5 HIS H 3.900 . 6.000 5.998 5.764 6.114 0.114 12 0 "[ . 1 . 2 . 3 .]" 1
33 1 3 ILE MG 1 5 HIS H 2.800 . 3.700 3.338 2.937 3.659 . 0 0 "[ . 1 . 2 . 3 .]" 1
34 1 3 ILE MG 1 5 HIS HB2 3.300 . 4.700 4.549 4.228 4.749 0.049 32 0 "[ . 1 . 2 . 3 .]" 1
35 1 3 ILE MG 1 5 HIS HB3 3.100 . 4.300 3.434 3.200 3.715 . 0 0 "[ . 1 . 2 . 3 .]" 1
36 1 3 ILE MG 1 5 HIS HB3 3.000 . 6.000 4.433 4.143 4.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
37 1 3 ILE MG 1 6 VAL H 3.000 . 4.100 2.771 2.317 3.539 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 3 ILE MG 1 11 TRP H 3.700 . 5.400 4.676 4.139 4.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 3 ILE MG 1 9 PRO HA 2.700 . 3.600 3.101 2.485 3.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 3 ILE MG 1 9 PRO HB2 3.400 . 4.900 4.877 3.901 5.375 0.475 34 0 "[ . 1 . 2 . 3 .]" 1
41 1 5 HIS H 1 5 HIS HB3 2.700 . 3.600 3.571 3.499 3.634 0.034 22 0 "[ . 1 . 2 . 3 .]" 1
42 1 5 HIS H 1 6 VAL HB 3.900 . 5.800 4.553 4.177 4.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
43 1 5 HIS H 1 13 CYS HA 3.600 . 5.200 4.529 4.169 4.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 5 HIS H 1 13 CYS QB 3.700 . 5.400 3.232 2.854 3.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
45 1 5 HIS HA 1 5 HIS HB2 2.200 . 2.800 2.469 2.418 2.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
46 1 5 HIS HA 1 5 HIS HB3 2.100 . 2.600 2.442 2.377 2.521 . 0 0 "[ . 1 . 2 . 3 .]" 1
47 1 5 HIS HA 1 6 VAL H 2.500 . 3.300 2.723 2.165 3.508 0.208 21 0 "[ . 1 . 2 . 3 .]" 1
48 1 5 HIS HA 1 6 VAL HA 3.200 . 4.500 4.000 3.869 4.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 5 HIS HA 1 6 VAL MG1 2.900 . 6.000 4.277 4.143 4.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
50 1 5 HIS HA 1 6 VAL MG2 2.900 . 3.900 3.702 3.279 3.945 0.045 5 0 "[ . 1 . 2 . 3 .]" 1
51 1 5 HIS HB2 1 6 VAL HA 3.900 . 5.800 4.933 4.627 5.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
52 1 5 HIS HB3 1 5 HIS HD2 2.200 . 2.800 2.885 2.808 2.946 0.146 33 0 "[ . 1 . 2 . 3 .]" 1
53 1 5 HIS HB3 1 6 VAL H 3.200 . 4.500 4.354 3.539 4.615 0.115 14 0 "[ . 1 . 2 . 3 .]" 1
54 1 5 HIS HB3 1 6 VAL HA 3.300 . 4.700 4.644 4.565 4.717 0.017 3 0 "[ . 1 . 2 . 3 .]" 1
55 1 5 HIS HD2 1 6 VAL MG1 2.700 . 6.000 5.123 4.919 5.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 5 HIS HD2 1 6 VAL MG2 2.700 . 6.000 4.640 4.007 5.075 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 5 HIS HD2 1 13 CYS QB 3.100 . 4.300 4.246 3.814 4.376 0.076 7 0 "[ . 1 . 2 . 3 .]" 1
58 1 6 VAL H 1 6 VAL HB 2.800 . 3.800 3.329 3.037 3.876 0.076 6 0 "[ . 1 . 2 . 3 .]" 1
59 1 6 VAL H 1 6 VAL MG2 2.700 . 3.600 2.062 1.761 2.530 0.039 17 0 "[ . 1 . 2 . 3 .]" 1
60 1 6 VAL HA 1 6 VAL HB 2.600 . 3.400 2.904 2.848 2.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 6 VAL HA 1 6 VAL MG1 2.100 . 2.700 2.145 2.097 2.194 . 0 0 "[ . 1 . 2 . 3 .]" 1
62 1 6 VAL HA 1 6 VAL MG2 2.200 . 2.800 2.845 2.765 2.914 0.114 18 0 "[ . 1 . 2 . 3 .]" 1
63 1 6 VAL HA 1 7 HIS H 3.200 . 4.500 2.552 2.364 2.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
64 1 6 VAL HA 1 7 HIS HB2 3.700 . 5.400 4.699 4.587 4.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 6 VAL HA 1 13 CYS HA 3.500 . 5.000 4.520 4.371 4.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
66 1 6 VAL HA 1 13 CYS QB 3.300 . 4.700 4.795 4.708 4.950 0.250 15 0 "[ . 1 . 2 . 3 .]" 1
67 1 6 VAL HB 1 6 VAL MG1 2.000 . 2.500 2.122 2.115 2.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 6 VAL HB 1 6 VAL MG2 1.900 . 2.400 2.127 2.122 2.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
69 1 6 VAL HB 1 11 TRP HD1 3.300 . 4.700 2.888 2.687 3.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
70 1 6 VAL QG 1 14 TRP HD1 3.400 . 6.000 5.253 5.109 5.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
71 1 6 VAL MG1 1 8 ARG H 2.900 . 4.000 3.536 3.353 3.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 6 VAL MG1 1 11 TRP HB2 3.200 . 6.000 4.891 4.805 4.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 6 VAL MG1 1 11 TRP HB3 3.700 . 5.400 5.469 5.412 5.513 0.113 29 0 "[ . 1 . 2 . 3 .]" 1
74 1 6 VAL MG1 1 11 TRP HD1 3.000 . 4.100 3.237 3.136 3.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 6 VAL MG1 1 11 TRP HE1 3.500 . 5.100 2.034 1.899 2.158 0.001 3 0 "[ . 1 . 2 . 3 .]" 1
76 1 6 VAL MG1 1 11 TRP HE3 3.100 . 6.000 5.281 5.132 5.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 6 VAL MG1 1 11 TRP HH2 3.200 . 4.500 4.541 4.262 4.621 0.121 1 0 "[ . 1 . 2 . 3 .]" 1
78 1 6 VAL MG1 1 12 PRO HA 3.300 . 6.000 4.746 4.545 5.125 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 6 VAL MG1 1 13 CYS HA 3.600 . 5.300 2.208 2.040 2.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 6 VAL MG1 1 13 CYS QB 3.200 . 4.500 3.349 3.229 3.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
81 1 6 VAL MG1 1 15 TYR HB3 3.700 . 5.400 5.224 5.044 5.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
82 1 6 VAL MG1 1 15 TYR QD 3.400 . 4.800 3.259 3.103 3.476 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 6 VAL MG1 1 15 TYR QE 3.400 . 4.900 1.867 1.834 1.909 0.066 6 0 "[ . 1 . 2 . 3 .]" 1
84 1 6 VAL MG2 1 8 ARG H 3.000 . 6.000 4.740 4.452 4.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 6 VAL MG2 1 10 ASP HB2 3.700 . 6.000 6.035 5.899 6.147 0.147 15 0 "[ . 1 . 2 . 3 .]" 1
86 1 6 VAL MG2 1 11 TRP HB2 3.200 . 6.000 5.570 5.466 5.659 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 6 VAL MG2 1 11 TRP HB3 3.700 . 6.000 6.059 6.018 6.097 0.097 5 0 "[ . 1 . 2 . 3 .]" 1
88 1 6 VAL MG2 1 12 PRO HA 3.200 . 4.500 3.540 3.272 3.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 6 VAL MG2 1 13 CYS HA 3.200 . 4.500 2.270 2.047 2.498 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 6 VAL MG2 1 13 CYS QB 3.000 . 4.100 2.392 2.294 2.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 7 HIS HA 1 7 HIS HB2 2.200 . 2.800 2.411 2.387 2.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 7 HIS HA 1 8 ARG H 2.400 . 3.100 2.761 2.745 2.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
93 1 7 HIS HA 1 11 TRP HE1 3.900 . 5.800 3.967 3.885 4.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 7 HIS HB2 1 15 TYR QE 3.300 . 6.000 4.813 4.702 4.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
95 1 7 HIS HB2 1 11 TRP HH2 3.300 . 4.700 4.703 4.561 4.760 0.060 9 0 "[ . 1 . 2 . 3 .]" 1
96 1 7 HIS HB3 1 8 ARG H 2.600 . 3.500 2.228 2.132 2.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
97 1 7 HIS HB3 1 8 ARG HG2 3.200 . 4.500 3.921 2.780 4.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 7 HIS HB3 1 11 TRP HH2 3.300 . 4.700 3.686 3.525 3.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
99 1 7 HIS HD2 1 8 ARG HA 2.400 . 6.000 3.586 3.350 3.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 7 HIS HD2 1 8 ARG HB2 3.300 . 4.700 4.325 4.091 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
101 1 7 HIS HD2 1 8 ARG HB3 3.100 . 4.300 4.380 4.326 4.477 0.177 18 0 "[ . 1 . 2 . 3 .]" 1
102 1 7 HIS HD2 1 8 ARG HG2 3.000 . 4.100 1.978 1.820 2.224 0.080 18 0 "[ . 1 . 2 . 3 .]" 1
103 1 7 HIS HD2 1 8 ARG HG3 3.200 . 4.500 2.445 2.050 3.401 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 7 HIS HD2 1 11 TRP HE3 3.400 . 6.000 6.036 5.847 6.129 0.129 6 0 "[ . 1 . 2 . 3 .]" 1
105 1 7 HIS HD2 1 11 TRP HZ2 2.800 . 3.800 3.862 3.808 3.910 0.110 10 0 "[ . 1 . 2 . 3 .]" 1
106 1 8 ARG H 1 8 ARG HB2 3.100 . 4.300 2.616 2.512 2.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
107 1 8 ARG H 1 8 ARG HB3 2.900 . 3.900 3.622 3.602 3.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
108 1 8 ARG H 1 8 ARG QD 3.300 . 4.700 4.087 3.934 4.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
109 1 8 ARG H 1 8 ARG HG2 3.100 . 4.300 3.017 2.193 3.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
110 1 8 ARG H 1 8 ARG HG3 3.300 . 4.700 2.350 2.188 2.993 . 0 0 "[ . 1 . 2 . 3 .]" 1
111 1 8 ARG H 1 9 PRO HA 3.300 . 6.000 5.522 5.432 5.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 8 ARG H 1 9 PRO QD 3.400 . 4.800 4.385 4.344 4.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 8 ARG H 1 11 TRP HE3 3.400 . 6.000 5.468 5.364 5.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
114 1 8 ARG HA 1 8 ARG HB2 2.600 . 3.500 3.015 3.006 3.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 8 ARG HA 1 8 ARG HB3 2.800 . 3.800 2.407 2.368 2.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
116 1 8 ARG HA 1 8 ARG QD 3.000 . 4.300 3.813 3.187 3.928 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 8 ARG HA 1 8 ARG HG2 3.000 . 4.100 2.585 2.514 2.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
118 1 8 ARG HA 1 8 ARG HG3 3.200 . 4.500 3.460 3.305 3.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 8 ARG HA 1 9 PRO HB2 3.800 . 5.600 5.548 5.513 5.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 8 ARG HA 1 9 PRO QD 2.100 . 2.600 1.937 1.878 2.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 8 ARG HA 1 9 PRO HG2 3.100 . 4.300 4.622 4.555 4.670 0.370 4 0 "[ . 1 . 2 . 3 .]" 1
122 1 8 ARG HA 1 10 ASP H 3.200 . 4.500 3.733 3.508 3.911 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 8 ARG HA 1 11 TRP H 3.500 . 5.100 4.739 4.656 4.822 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 8 ARG HB2 1 8 ARG QD 2.900 . 3.900 2.853 2.384 3.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
125 1 8 ARG HB2 1 8 ARG HG2 2.700 . 3.600 2.973 2.764 3.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 8 ARG HB2 1 8 ARG HG3 2.600 . 3.500 2.312 2.193 2.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 8 ARG HB2 1 9 PRO QD 2.800 . 3.700 3.525 3.435 3.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
128 1 8 ARG HB2 1 10 ASP H 3.100 . 4.300 2.892 2.484 3.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 8 ARG HB2 1 11 TRP H 3.000 . 4.100 2.480 2.291 2.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
130 1 8 ARG HB2 1 11 TRP HB3 2.900 . 4.000 3.064 2.987 3.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
131 1 8 ARG HB2 1 11 TRP HD1 2.700 . 3.600 2.739 2.504 2.911 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 8 ARG HB2 1 11 TRP HE1 3.600 . 5.200 3.336 3.140 3.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
133 1 8 ARG HB2 1 11 TRP HE3 3.000 . 6.000 4.426 4.285 4.685 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 8 ARG HB2 1 11 TRP HH2 3.400 . 4.900 4.034 3.927 4.227 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 8 ARG HB2 1 15 TYR QD 3.400 . 6.000 5.600 5.155 5.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 8 ARG HB3 1 8 ARG QD 3.200 . 4.300 2.331 2.092 2.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 8 ARG HB3 1 8 ARG HG2 2.300 . 3.000 2.572 2.482 2.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
138 1 8 ARG HB3 1 8 ARG HG3 2.600 . 3.400 2.966 2.756 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 8 ARG HB3 1 9 PRO QD 3.100 . 4.000 2.246 2.123 2.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 8 ARG HB3 1 10 ASP H 3.300 . 4.700 2.371 1.954 2.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 8 ARG HB3 1 11 TRP H 3.000 . 4.200 3.193 2.889 3.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
142 1 8 ARG HB3 1 11 TRP HB3 2.900 . 3.900 3.998 3.910 4.063 0.163 11 0 "[ . 1 . 2 . 3 .]" 1
143 1 8 ARG HB3 1 11 TRP HD1 2.900 . 6.000 4.283 3.963 4.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 8 ARG HB3 1 11 TRP HE1 3.700 . 5.400 4.866 4.711 5.010 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 8 ARG HB3 1 11 TRP HE3 3.100 . 6.000 5.523 5.383 5.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 8 ARG QD 1 8 ARG HG3 2.800 . 3.700 2.280 2.222 2.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 8 ARG QD 1 9 PRO QD 4.100 . 4.900 3.757 3.522 3.880 . 0 0 "[ . 1 . 2 . 3 .]" 1
148 1 8 ARG QD 1 11 TRP HB3 3.300 . 4.700 3.390 2.197 4.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
149 1 8 ARG QD 1 11 TRP HD1 2.900 . 4.000 3.869 3.688 3.986 . 0 0 "[ . 1 . 2 . 3 .]" 1
150 1 8 ARG QD 1 11 TRP HD1 2.600 . 6.000 3.720 3.557 3.832 . 0 0 "[ . 1 . 2 . 3 .]" 1
151 1 8 ARG QD 1 11 TRP HE1 3.400 . 6.000 5.120 4.542 5.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 8 ARG QD 1 11 TRP HE3 3.300 . 4.600 3.420 2.826 4.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 8 ARG QD 1 11 TRP HH2 3.600 . 5.200 4.841 4.464 5.081 . 0 0 "[ . 1 . 2 . 3 .]" 1
154 1 8 ARG QD 1 11 TRP HH2 3.400 . 6.000 4.641 4.351 4.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
155 1 8 ARG QD 1 11 TRP HZ2 3.500 . 6.000 5.037 4.787 5.118 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 8 ARG QD 1 11 TRP HZ2 3.600 . 6.000 4.954 4.728 5.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 8 ARG HG2 1 9 PRO QD 3.600 . 5.300 3.719 3.462 4.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
158 1 8 ARG HG2 1 10 ASP H 4.000 . 6.000 4.867 4.429 5.202 . 0 0 "[ . 1 . 2 . 3 .]" 1
159 1 8 ARG HG2 1 11 TRP H 3.700 . 5.400 5.313 5.063 5.458 0.058 18 0 "[ . 1 . 2 . 3 .]" 1
160 1 8 ARG HG2 1 11 TRP HB3 3.400 . 6.000 5.256 4.918 5.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
161 1 8 ARG HG2 1 11 TRP HE1 4.100 . 6.000 4.808 3.775 5.063 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 8 ARG HG2 1 11 TRP HE3 3.500 . 6.000 5.408 4.763 5.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 8 ARG HG2 1 11 TRP HZ3 3.200 . 6.000 5.617 4.820 5.979 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 8 ARG HG3 1 9 PRO QD 3.600 . 5.300 4.594 4.440 4.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
165 1 8 ARG HG3 1 10 ASP H 3.700 . 5.400 4.990 4.479 5.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 8 ARG HG3 1 11 TRP H 3.300 . 4.700 4.717 4.247 4.791 0.091 26 0 "[ . 1 . 2 . 3 .]" 1
167 1 8 ARG HG3 1 11 TRP HB2 3.500 . 5.100 5.118 4.341 5.241 0.141 16 0 "[ . 1 . 2 . 3 .]" 1
168 1 8 ARG HG3 1 11 TRP HB3 3.300 . 4.700 4.175 3.298 4.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 8 ARG HG3 1 11 TRP HE1 3.900 . 5.800 3.644 3.521 3.842 . 0 0 "[ . 1 . 2 . 3 .]" 1
170 1 8 ARG HG3 1 11 TRP HE3 3.300 . 4.600 3.920 3.143 4.165 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 8 ARG HG3 1 11 TRP HZ3 3.200 . 4.500 4.220 3.844 4.520 0.020 29 0 "[ . 1 . 2 . 3 .]" 1
172 1 9 PRO HA 1 9 PRO HB2 2.300 . 3.000 2.677 2.660 2.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
173 1 9 PRO HA 1 9 PRO HB3 2.500 . 3.300 2.318 2.280 2.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
174 1 9 PRO HA 1 9 PRO QD 2.900 . 3.900 3.535 3.519 3.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
175 1 9 PRO HA 1 9 PRO HG2 2.600 . 6.000 3.943 3.909 4.048 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 9 PRO HA 1 10 ASP H 2.400 . 6.000 3.300 3.104 3.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 9 PRO HA 1 11 TRP H 3.000 . 6.000 4.119 3.858 4.287 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 9 PRO HB2 1 9 PRO QD 2.800 . 3.800 3.515 3.379 3.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
179 1 9 PRO HB2 1 9 PRO HG2 2.000 . 2.500 2.287 2.257 2.303 . 0 0 "[ . 1 . 2 . 3 .]" 1
180 1 9 PRO HB2 1 10 ASP H 3.200 . 4.500 3.957 3.690 4.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 9 PRO HB2 1 11 TRP H 3.900 . 6.000 5.570 5.310 5.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
182 1 9 PRO HB3 1 10 ASP H 2.900 . 6.000 4.417 4.331 4.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
183 1 9 PRO HB3 1 11 TRP H 3.500 . 6.000 5.935 5.750 6.067 0.067 8 0 "[ . 1 . 2 . 3 .]" 1
184 1 9 PRO HB3 1 11 TRP HD1 3.400 . 6.000 5.688 5.619 5.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 9 PRO QD 1 9 PRO HG2 2.300 . 2.900 2.185 2.168 2.195 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 9 PRO QD 1 10 ASP H 3.200 . 3.800 2.217 1.986 2.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
187 1 9 PRO QD 1 11 TRP H 3.800 . 5.600 4.028 3.904 4.259 . 0 0 "[ . 1 . 2 . 3 .]" 1
188 1 9 PRO HG2 1 10 ASP H 2.800 . 6.000 3.422 3.131 3.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 10 ASP H 1 10 ASP HA 2.600 . 3.500 2.929 2.908 2.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
190 1 10 ASP H 1 10 ASP HB2 2.600 . 3.500 3.183 2.419 3.777 0.277 21 0 "[ . 1 . 2 . 3 .]" 1
191 1 10 ASP H 1 10 ASP HB3 2.700 . 3.600 2.926 2.198 3.693 0.093 3 0 "[ . 1 . 2 . 3 .]" 1
192 1 10 ASP H 1 11 TRP H 2.300 . 3.000 2.103 1.854 2.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 10 ASP H 1 11 TRP HB2 3.600 . 6.000 5.644 5.437 5.797 . 0 0 "[ . 1 . 2 . 3 .]" 1
194 1 10 ASP H 1 11 TRP HB3 4.000 . 6.000 4.300 4.127 4.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
195 1 10 ASP H 1 11 TRP HD1 3.800 . 5.600 3.995 3.636 4.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
196 1 10 ASP HA 1 11 TRP H 2.600 . 3.400 3.413 3.359 3.443 0.043 11 0 "[ . 1 . 2 . 3 .]" 1
197 1 10 ASP HA 1 11 TRP HA 3.500 . 5.000 4.525 4.462 4.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
198 1 10 ASP HA 1 11 TRP HD1 3.200 . 6.000 5.629 5.417 5.884 . 0 0 "[ . 1 . 2 . 3 .]" 1
199 1 10 ASP HB2 1 11 TRP H 3.100 . 4.300 3.941 3.152 4.382 0.082 27 0 "[ . 1 . 2 . 3 .]" 1
200 1 10 ASP HB2 1 11 TRP HD1 2.900 . 6.000 5.121 4.804 5.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
201 1 10 ASP HB3 1 11 TRP H 3.100 . 4.300 3.846 3.026 4.339 0.039 33 0 "[ . 1 . 2 . 3 .]" 1
202 1 11 TRP H 1 11 TRP HA 2.400 . 3.100 2.932 2.922 2.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 11 TRP H 1 11 TRP HB2 2.200 . 6.000 3.760 3.707 3.807 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 11 TRP H 1 11 TRP HB3 2.400 . 3.100 2.812 2.706 2.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 11 TRP H 1 11 TRP HD1 3.000 . 4.100 2.416 2.274 2.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
206 1 11 TRP H 1 11 TRP HE3 3.700 . 5.400 5.393 5.320 5.465 0.065 16 0 "[ . 1 . 2 . 3 .]" 1
207 1 11 TRP H 1 12 PRO HA 3.800 . 5.700 5.336 5.233 5.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 11 TRP H 1 12 PRO HD2 3.000 . 6.000 4.885 4.852 4.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 11 TRP HA 1 11 TRP HB2 2.300 . 3.000 2.380 2.363 2.393 . 0 0 "[ . 1 . 2 . 3 .]" 1
210 1 11 TRP HA 1 11 TRP HD1 2.000 . 6.000 3.889 3.867 3.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 11 TRP HA 1 11 TRP HE3 2.800 . 6.000 4.996 4.959 5.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
212 1 11 TRP HA 1 12 PRO HD2 2.300 . 2.900 2.755 2.691 2.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
213 1 11 TRP HA 1 12 PRO HD3 2.300 . 3.000 2.358 2.290 2.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
214 1 11 TRP HA 1 12 PRO HG2 3.900 . 5.800 4.770 4.722 4.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 11 TRP HA 1 12 PRO HG3 3.700 . 5.400 4.601 4.540 4.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
216 1 11 TRP HA 1 15 TYR HB2 3.900 . 6.000 6.003 5.914 6.055 0.055 13 0 "[ . 1 . 2 . 3 .]" 1
217 1 11 TRP HA 1 15 TYR HB3 3.800 . 5.600 4.582 4.468 4.710 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 11 TRP HB2 1 11 TRP HE3 2.400 . 3.100 2.819 2.756 2.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 11 TRP HB2 1 15 TYR HB2 2.900 . 4.000 4.042 3.938 4.106 0.106 20 0 "[ . 1 . 2 . 3 .]" 1
220 1 11 TRP HB3 1 11 TRP HE1 3.500 . 5.100 5.114 5.101 5.127 0.027 9 0 "[ . 1 . 2 . 3 .]" 1
221 1 11 TRP HB3 1 11 TRP HE3 2.400 . 3.100 2.924 2.838 2.993 . 0 0 "[ . 1 . 2 . 3 .]" 1
222 1 11 TRP HB3 1 15 TYR QD 3.100 . 6.000 4.557 4.475 4.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
223 1 11 TRP HB3 1 15 TYR QE 3.700 . 5.500 5.403 5.319 5.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
224 1 11 TRP HB3 1 15 TYR HB2 3.300 . 6.000 5.460 5.295 5.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 11 TRP HB3 1 15 TYR HB3 3.300 . 4.700 4.531 4.334 4.710 0.010 5 0 "[ . 1 . 2 . 3 .]" 1
226 1 11 TRP HD1 1 12 PRO HG2 3.500 . 6.000 5.515 5.438 5.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
227 1 11 TRP HD1 1 12 PRO HD2 2.700 . 6.000 4.437 4.378 4.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
228 1 11 TRP HD1 1 13 CYS HA 3.200 . 6.000 5.067 4.820 5.196 . 0 0 "[ . 1 . 2 . 3 .]" 1
229 1 11 TRP HD1 1 13 CYS QB 3.300 . 6.000 5.998 5.812 6.081 0.081 35 0 "[ . 1 . 2 . 3 .]" 1
230 1 11 TRP HE1 1 12 PRO HD2 3.900 . 6.000 6.027 5.971 6.076 0.076 27 0 "[ . 1 . 2 . 3 .]" 1
231 1 11 TRP HE1 1 13 CYS HA 4.000 . 6.000 4.904 4.676 5.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 11 TRP HE1 1 15 TYR QD 3.700 . 5.500 4.923 4.766 5.091 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 11 TRP HE1 1 15 TYR QE 3.900 . 5.800 3.863 3.652 4.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
234 1 11 TRP HE3 1 15 TYR QE 3.400 . 4.800 3.746 3.606 3.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
235 1 11 TRP HE3 1 12 PRO HD2 3.200 . 4.500 4.274 4.166 4.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
236 1 11 TRP HE3 1 12 PRO HG2 3.300 . 6.000 5.933 5.795 6.038 0.038 9 0 "[ . 1 . 2 . 3 .]" 1
237 1 11 TRP HE3 1 15 TYR HB2 3.100 . 4.300 3.906 3.722 4.103 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 11 TRP HE3 1 15 TYR HB3 3.300 . 4.700 3.881 3.662 4.165 . 0 0 "[ . 1 . 2 . 3 .]" 1
239 1 11 TRP HE3 1 15 TYR QD 3.100 . 4.300 3.952 3.822 4.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
240 1 11 TRP HH2 1 15 TYR QD 3.200 . 4.500 4.582 4.520 4.626 0.126 26 0 "[ . 1 . 2 . 3 .]" 1
241 1 11 TRP HH2 1 15 TYR HB3 3.600 . 6.000 5.860 5.816 5.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 11 TRP HH2 1 15 TYR QD 3.400 . 4.900 4.910 4.825 4.986 0.086 9 0 "[ . 1 . 2 . 3 .]" 1
243 1 11 TRP HH2 1 15 TYR QE 3.400 . 4.800 3.685 3.533 3.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 12 PRO HA 1 12 PRO HB2 2.400 . 3.100 2.677 2.663 2.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
245 1 12 PRO HA 1 12 PRO HB3 3.000 . 4.100 2.322 2.305 2.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 12 PRO HA 1 12 PRO HD2 3.400 . 4.900 4.095 4.087 4.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 12 PRO HA 1 12 PRO HD3 3.500 . 5.000 3.723 3.676 3.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 12 PRO HA 1 12 PRO HG2 3.300 . 4.600 3.827 3.805 3.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 12 PRO HA 1 13 CYS H 3.200 . 4.500 2.676 2.596 2.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
250 1 12 PRO HA 1 13 CYS HB3 3.400 . 4.800 4.538 4.475 4.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
251 1 12 PRO HA 1 14 TRP H 3.200 . 4.500 4.186 4.078 4.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 12 PRO HA 1 14 TRP HE1 4.000 . 6.000 4.672 4.550 4.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
253 1 12 PRO HB2 1 12 PRO HD3 3.400 . 4.800 3.934 3.914 3.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 12 PRO HB2 1 12 PRO HG2 2.500 . 3.300 2.326 2.317 2.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 12 PRO HB2 1 12 PRO HG3 2.500 . 3.300 2.649 2.640 2.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 12 PRO HB2 1 14 TRP H 3.000 . 4.100 2.425 2.295 2.530 . 0 0 "[ . 1 . 2 . 3 .]" 1
257 1 12 PRO HB2 1 14 TRP HD1 3.100 . 4.300 2.865 2.806 2.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
258 1 12 PRO HB2 1 14 TRP HE1 3.200 . 4.500 2.655 2.566 2.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 12 PRO HB2 1 14 TRP HH2 3.500 . 6.000 5.751 5.557 5.924 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 12 PRO HB2 1 14 TRP HZ2 3.200 . 4.500 4.220 4.119 4.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 12 PRO HB2 1 15 TYR QD 3.900 . 5.800 3.884 3.719 4.053 . 0 0 "[ . 1 . 2 . 3 .]" 1
262 1 12 PRO HB3 1 12 PRO HD2 3.500 . 5.000 3.851 3.831 3.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 12 PRO HB3 1 12 PRO HD3 3.200 . 4.500 2.992 2.940 3.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 12 PRO HB3 1 12 PRO HG2 2.900 . 3.900 2.994 2.990 3.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 12 PRO HB3 1 12 PRO HG3 2.500 . 3.300 2.336 2.325 2.347 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 12 PRO HB3 1 14 TRP H 3.400 . 4.800 4.060 3.967 4.128 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 12 PRO HB3 1 14 TRP HD1 3.000 . 4.200 4.341 4.308 4.366 0.166 12 0 "[ . 1 . 2 . 3 .]" 1
268 1 12 PRO HB3 1 14 TRP HE1 3.300 . 4.600 3.044 2.984 3.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
269 1 12 PRO HB3 1 14 TRP HZ2 3.500 . 5.000 3.786 3.563 4.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 12 PRO HB3 1 15 TYR HB3 3.700 . 5.400 5.119 4.872 5.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 12 PRO HB3 1 15 TYR QD 3.500 . 5.100 4.823 4.725 4.921 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 12 PRO HD2 1 12 PRO HG2 2.600 . 3.400 2.292 2.282 2.301 . 0 0 "[ . 1 . 2 . 3 .]" 1
273 1 12 PRO HD2 1 12 PRO HG3 2.700 . 3.600 2.715 2.704 2.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 12 PRO HD2 1 15 TYR HB2 3.600 . 5.200 3.666 3.549 3.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 12 PRO HD2 1 15 TYR HB3 3.800 . 5.600 1.999 1.966 2.051 0.034 5 0 "[ . 1 . 2 . 3 .]" 1
276 1 12 PRO HD2 1 15 TYR QD 3.700 . 5.400 2.840 2.720 2.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 12 PRO HD3 1 12 PRO HG2 2.700 . 3.600 2.972 2.966 2.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
278 1 12 PRO HD3 1 12 PRO HG3 2.600 . 3.400 2.295 2.287 2.303 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 12 PRO HD3 1 15 TYR HB2 3.100 . 6.000 5.071 4.915 5.209 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 12 PRO HD3 1 15 TYR HB3 3.000 . 4.200 3.506 3.415 3.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
281 1 12 PRO HD3 1 15 TYR QD 3.100 . 4.300 4.322 4.248 4.373 0.073 16 0 "[ . 1 . 2 . 3 .]" 1
282 1 12 PRO HG2 1 14 TRP HD1 3.400 . 4.900 4.499 4.312 4.685 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 12 PRO HG2 1 14 TRP HE1 3.600 . 5.200 4.461 4.276 4.654 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 12 PRO HG2 1 14 TRP HH2 3.600 . 5.300 5.398 5.360 5.434 0.134 16 0 "[ . 1 . 2 . 3 .]" 1
285 1 12 PRO HG2 1 15 TYR QD 3.400 . 4.800 2.370 2.272 2.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
286 1 12 PRO HG2 1 15 TYR QE 3.900 . 5.800 4.565 4.514 4.637 . 0 0 "[ . 1 . 2 . 3 .]" 1
287 1 12 PRO HG3 1 14 TRP HD1 3.400 . 6.000 5.004 4.819 5.195 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 12 PRO HG3 1 14 TRP HE1 3.400 . 4.900 3.988 3.744 4.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
289 1 12 PRO HG3 1 15 TYR HB3 3.300 . 4.600 3.350 3.107 3.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 12 PRO HG3 1 15 TYR QE 3.600 . 6.000 6.205 6.157 6.278 0.278 16 0 "[ . 1 . 2 . 3 .]" 1
291 1 13 CYS H 1 13 CYS HB3 3.500 . 5.000 2.835 2.729 2.911 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 13 CYS HA 1 13 CYS HB2 2.100 . 2.600 2.441 2.404 2.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
293 1 13 CYS HA 1 14 TRP H 2.700 . 3.600 3.081 3.015 3.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
294 1 13 CYS HA 1 14 TRP HB3 3.600 . 5.300 5.343 5.298 5.395 0.095 1 0 "[ . 1 . 2 . 3 .]" 1
295 1 13 CYS HA 1 14 TRP HD1 3.300 . 4.700 4.770 4.712 4.817 0.117 19 0 "[ . 1 . 2 . 3 .]" 1
296 1 13 CYS QB 1 14 TRP H 3.100 . 4.300 3.979 3.917 4.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
297 1 13 CYS QB 1 14 TRP HA 3.700 . 5.400 4.667 4.607 4.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 13 CYS QB 1 14 TRP HD1 3.100 . 4.300 4.101 3.943 4.240 . 0 0 "[ . 1 . 2 . 3 .]" 1
299 1 13 CYS QB 1 15 TYR QE 3.400 . 4.900 4.540 4.275 4.777 . 0 0 "[ . 1 . 2 . 3 .]" 1
300 1 14 TRP H 1 14 TRP HB2 3.000 . 4.100 3.809 3.770 3.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 14 TRP H 1 14 TRP HB3 3.100 . 4.300 3.427 3.359 3.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 14 TRP H 1 14 TRP HD1 3.300 . 4.700 3.078 2.977 3.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
303 1 14 TRP H 1 14 TRP HE3 3.600 . 5.200 4.658 4.593 4.718 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 14 TRP HA 1 14 TRP HB2 2.200 . 2.800 2.559 2.542 2.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
305 1 14 TRP HA 1 14 TRP HB3 2.200 . 2.800 2.354 2.340 2.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 14 TRP HA 1 14 TRP HD1 2.600 . 6.000 4.222 4.182 4.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 14 TRP HA 1 14 TRP HE3 2.700 . 6.000 4.503 4.421 4.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 14 TRP HA 1 15 TYR H 2.800 . 3.800 3.544 3.533 3.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 14 TRP HA 1 15 TYR QD 3.500 . 5.100 4.187 4.119 4.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
310 1 14 TRP HB2 1 14 TRP HE1 3.600 . 5.200 5.243 5.234 5.252 0.052 9 0 "[ . 1 . 2 . 3 .]" 1
311 1 14 TRP HB2 1 14 TRP HE3 2.400 . 3.100 2.552 2.505 2.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 14 TRP HB2 1 15 TYR H 3.400 . 4.800 3.315 3.204 3.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
313 1 14 TRP HB3 1 14 TRP HD1 2.300 . 2.900 2.667 2.640 2.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
314 1 14 TRP HB3 1 14 TRP HE3 2.500 . 6.000 4.099 4.059 4.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 14 TRP HB3 1 15 TYR H 3.500 . 5.000 3.894 3.842 3.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 14 TRP HD1 1 15 TYR HA 3.300 . 6.000 6.061 5.984 6.112 0.112 33 0 "[ . 1 . 2 . 3 .]" 1
317 1 14 TRP HD1 1 16 ARG QD 3.200 . 6.000 5.705 5.338 5.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
318 1 14 TRP HE3 1 15 TYR HA 2.800 . 3.800 3.137 3.001 3.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 14 TRP HE3 1 15 TYR HB2 3.500 . 6.000 5.267 5.175 5.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 14 TRP HE3 1 15 TYR HB3 3.400 . 6.000 5.196 5.083 5.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 14 TRP HE3 1 15 TYR QD 3.600 . 5.300 5.270 5.234 5.312 0.012 4 0 "[ . 1 . 2 . 3 .]" 1
322 1 14 TRP HE3 1 16 ARG QD 3.600 . 5.200 2.534 2.138 2.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 14 TRP HZ3 1 15 TYR HA 3.500 . 5.100 3.417 3.336 3.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 14 TRP HZ3 1 15 TYR HB2 3.800 . 5.600 5.700 5.665 5.751 0.151 27 0 "[ . 1 . 2 . 3 .]" 1
325 1 14 TRP HZ3 1 15 TYR HB3 3.600 . 6.000 5.692 5.588 5.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
326 1 14 TRP HZ3 1 16 ARG QD 3.200 . 4.500 4.265 3.666 4.437 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 15 TYR H 1 15 TYR HB2 2.800 . 6.000 3.989 3.965 4.064 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 15 TYR H 1 15 TYR HB3 2.800 . 3.800 3.081 3.021 3.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 15 TYR H 1 15 TYR QD 3.100 . 4.300 2.866 2.771 2.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 15 TYR HA 1 15 TYR QD 2.300 . 6.000 3.629 3.584 3.674 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 15 TYR HA 1 15 TYR QE 3.200 . 6.000 5.564 5.535 5.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 15 TYR HA 1 16 ARG H 2.800 . 3.800 2.310 2.150 3.582 . 0 0 "[ . 1 . 2 . 3 .]" 1
333 1 15 TYR HB2 1 15 TYR QD 2.100 . 2.700 2.385 2.357 2.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 15 TYR HB3 1 15 TYR QD 2.200 . 2.800 2.415 2.367 2.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
335 1 15 TYR QD 1 16 ARG H 3.900 . 5.800 4.670 2.134 4.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 15 TYR QD 1 16 ARG HA 2.800 . 6.000 4.534 3.477 4.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
337 1 15 TYR QD 1 16 ARG QG 3.500 . 5.100 4.519 4.059 4.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 15 TYR QE 1 16 ARG QG 3.900 . 6.000 5.412 4.991 5.736 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 16 ARG H 1 16 ARG HB2 3.600 . 5.200 2.731 2.496 3.548 . 0 0 "[ . 1 . 2 . 3 .]" 1
340 1 16 ARG H 1 16 ARG HB3 3.300 . 4.700 3.806 3.686 4.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 16 ARG H 1 16 ARG QG 3.800 . 5.600 2.943 2.612 3.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 16 ARG HA 1 16 ARG HB2 2.700 . 3.600 3.023 3.016 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
343 1 16 ARG HA 1 16 ARG HB3 2.900 . 3.900 2.485 2.427 2.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 16 ARG HA 1 16 ARG QD 3.000 . 6.000 4.156 4.049 4.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
345 1 16 ARG HA 1 16 ARG QG 2.900 . 3.800 2.476 2.406 2.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 16 ARG HB2 1 16 ARG QD 2.700 . 3.600 2.357 2.192 2.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
347 1 16 ARG HB2 1 16 ARG QG 2.200 . 2.500 2.427 2.393 2.509 0.009 25 0 "[ . 1 . 2 . 3 .]" 1
348 1 16 ARG HB3 1 16 ARG QD 2.900 . 3.900 2.889 2.465 3.335 . 0 0 "[ . 1 . 2 . 3 .]" 1
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