NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408270 |
1yv8   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yv8
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 521
_Distance_constraint_stats_list.Viol_count 320
_Distance_constraint_stats_list.Viol_total 254.873
_Distance_constraint_stats_list.Viol_max 0.290
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0398
_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 THR 0.034 0.029 12 0 "[ . 1 . 2]"
1 2 THR 0.142 0.035 13 0 "[ . 1 . 2]"
1 3 CYS 0.279 0.048 11 0 "[ . 1 . 2]"
1 4 CYS 0.045 0.021 7 0 "[ . 1 . 2]"
1 5 PRO 5.724 0.290 7 0 "[ . 1 . 2]"
1 6 SER 6.594 0.290 7 0 "[ . 1 . 2]"
1 7 ILE 0.106 0.021 17 0 "[ . 1 . 2]"
1 8 VAL 0.036 0.021 17 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.010 0.008 8 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 0.063 0.030 4 0 "[ . 1 . 2]"
1 13 PHE 0.163 0.038 2 0 "[ . 1 . 2]"
1 14 ASN 0.134 0.076 9 0 "[ . 1 . 2]"
1 15 VAL 0.931 0.067 3 0 "[ . 1 . 2]"
1 16 CYS 1.311 0.067 3 0 "[ . 1 . 2]"
1 17 ARG 0.155 0.086 14 0 "[ . 1 . 2]"
1 18 LEU 0.111 0.050 11 0 "[ . 1 . 2]"
1 19 PRO 0.083 0.031 18 0 "[ . 1 . 2]"
1 20 GLY 0.050 0.011 6 0 "[ . 1 . 2]"
1 21 THR 0.209 0.084 18 0 "[ . 1 . 2]"
1 22 PRO 0.065 0.034 7 0 "[ . 1 . 2]"
1 23 GLU 0.256 0.086 14 0 "[ . 1 . 2]"
1 24 ALA 0.039 0.017 16 0 "[ . 1 . 2]"
1 25 LEU 0.727 0.121 6 0 "[ . 1 . 2]"
1 26 CYS 0.484 0.056 14 0 "[ . 1 . 2]"
1 27 ALA 0.048 0.015 15 0 "[ . 1 . 2]"
1 28 THR 0.059 0.016 14 0 "[ . 1 . 2]"
1 29 TYR 1.477 0.272 9 0 "[ . 1 . 2]"
1 30 THR 1.487 0.272 9 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 0.137 0.021 7 0 "[ . 1 . 2]"
1 33 ILE 0.233 0.048 11 0 "[ . 1 . 2]"
1 34 ILE 0.365 0.053 13 0 "[ . 1 . 2]"
1 35 ILE 0.224 0.053 13 0 "[ . 1 . 2]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.046 0.017 8 0 "[ . 1 . 2]"
1 38 ALA 0.055 0.017 8 0 "[ . 1 . 2]"
1 39 THR 0.077 0.026 18 0 "[ . 1 . 2]"
1 40 CYS 0.011 0.004 7 0 "[ . 1 . 2]"
1 41 PRO 0.495 0.162 15 0 "[ . 1 . 2]"
1 42 GLY 0.261 0.162 15 0 "[ . 1 . 2]"
1 43 ASP 0.112 0.061 2 0 "[ . 1 . 2]"
1 44 TYR 0.273 0.129 1 0 "[ . 1 . 2]"
1 45 ALA 0.019 0.003 19 0 "[ . 1 . 2]"
1 46 ASN 0.070 0.020 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR HA 1 2 THR H 5.000 . 5.000 2.886 2.213 3.591 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR MG 1 2 THR H 3.000 . 4.000 2.682 1.771 3.516 0.029 12 0 "[ . 1 . 2]" 1
3 1 1 THR HB 1 2 THR H 4.000 . 4.000 3.409 1.976 3.958 . 0 0 "[ . 1 . 2]" 1
4 1 1 THR MG 1 35 ILE H 5.000 . 6.000 4.222 3.017 5.001 . 0 0 "[ . 1 . 2]" 1
5 1 1 THR HB 1 35 ILE HG13 5.000 . 5.000 3.536 1.971 4.938 . 0 0 "[ . 1 . 2]" 1
6 1 1 THR HB 1 35 ILE HG12 5.000 . 5.000 4.235 3.135 5.004 0.004 18 0 "[ . 1 . 2]" 1
7 1 1 THR HB 1 35 ILE MD 5.000 . 6.000 3.928 2.330 4.910 . 0 0 "[ . 1 . 2]" 1
8 1 1 THR MG 1 35 ILE QG 5.000 . 7.000 3.229 1.959 4.231 . 0 0 "[ . 1 . 2]" 1
9 1 2 THR H 1 2 THR HA 3.000 . 3.000 2.979 2.909 3.003 0.003 4 0 "[ . 1 . 2]" 1
10 1 2 THR H 1 2 THR HB 3.000 . 3.000 2.750 2.488 3.020 0.020 15 0 "[ . 1 . 2]" 1
11 1 2 THR H 1 2 THR MG 4.000 . 5.000 3.775 3.603 3.925 . 0 0 "[ . 1 . 2]" 1
12 1 2 THR HA 1 2 THR MG 3.000 . 3.600 2.188 1.933 2.387 . 0 0 "[ . 1 . 2]" 1
13 1 2 THR HA 1 3 CYS H 3.000 . 3.000 2.293 2.205 2.511 . 0 0 "[ . 1 . 2]" 1
14 1 2 THR HB 1 3 CYS H 4.000 . 4.000 3.785 2.991 4.035 0.035 13 0 "[ . 1 . 2]" 1
15 1 2 THR H 1 3 CYS H 5.000 . 5.000 4.529 4.417 4.662 . 0 0 "[ . 1 . 2]" 1
16 1 2 THR MG 1 3 CYS HA 5.000 . 6.000 4.129 3.595 4.699 . 0 0 "[ . 1 . 2]" 1
17 1 2 THR MG 1 3 CYS H 4.000 . 5.000 2.372 1.855 2.895 . 0 0 "[ . 1 . 2]" 1
18 1 2 THR MG 1 13 PHE QE 4.000 . 6.400 2.622 1.917 3.559 . 0 0 "[ . 1 . 2]" 1
19 1 2 THR MG 1 32 CYS HB3 5.000 . 6.000 2.900 1.843 3.730 . 0 0 "[ . 1 . 2]" 1
20 1 2 THR MG 1 32 CYS HB2 5.000 . 6.000 3.731 2.213 4.581 . 0 0 "[ . 1 . 2]" 1
21 1 2 THR HA 1 34 ILE HA 3.000 . 3.000 2.468 2.120 2.996 . 0 0 "[ . 1 . 2]" 1
22 1 2 THR HA 1 35 ILE H 5.000 . 5.000 3.515 2.898 4.228 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS H 1 3 CYS HA 3.000 . 3.000 2.986 2.959 3.002 0.002 13 0 "[ . 1 . 2]" 1
24 1 3 CYS HA 1 4 CYS H 3.000 . 3.000 2.256 2.209 2.376 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS HB3 1 4 CYS H 5.000 . 5.000 3.592 2.799 4.155 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS HB2 1 4 CYS H 5.000 . 5.000 4.335 3.968 4.664 . 0 0 "[ . 1 . 2]" 1
27 1 3 CYS H 1 4 CYS QB 5.000 . 6.000 5.071 4.379 5.425 . 0 0 "[ . 1 . 2]" 1
28 1 3 CYS HA 1 10 ARG QH 5.000 . 7.000 3.964 2.037 5.216 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS HA 1 33 ILE H 5.000 . 5.000 4.895 4.672 5.048 0.048 11 0 "[ . 1 . 2]" 1
30 1 3 CYS H 1 33 ILE H 4.000 . 4.000 2.793 2.500 3.420 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS H 1 33 ILE HG13 5.000 . 5.000 2.570 2.128 3.167 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS H 1 33 ILE HG12 5.000 . 5.000 3.885 3.300 4.503 . 0 0 "[ . 1 . 2]" 1
33 1 3 CYS H 1 33 ILE MD 5.000 . 6.000 3.775 2.965 4.573 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS HB3 1 33 ILE HG13 5.000 . 5.000 3.669 2.265 4.483 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS HB3 1 33 ILE HG12 5.000 . 5.000 3.923 2.310 4.761 . 0 0 "[ . 1 . 2]" 1
36 1 3 CYS HB2 1 33 ILE HG13 4.000 . 4.000 2.398 1.914 3.069 . 0 0 "[ . 1 . 2]" 1
37 1 3 CYS HB2 1 33 ILE HG12 4.000 . 4.000 3.174 2.507 3.902 . 0 0 "[ . 1 . 2]" 1
38 1 3 CYS HB3 1 33 ILE MD 5.000 . 6.000 3.206 1.991 3.827 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS HB2 1 33 ILE MD 5.000 . 6.000 2.379 1.869 3.098 . 0 0 "[ . 1 . 2]" 1
40 1 3 CYS H 1 34 ILE HA 5.000 . 5.000 3.776 3.256 4.318 . 0 0 "[ . 1 . 2]" 1
41 1 3 CYS H 1 35 ILE H 5.000 . 5.000 4.885 4.513 5.031 0.031 13 0 "[ . 1 . 2]" 1
42 1 3 CYS HB3 1 40 CYS QB 5.000 . 7.000 3.679 2.047 4.571 . 0 0 "[ . 1 . 2]" 1
43 1 3 CYS HB2 1 40 CYS QB 5.000 . 7.000 4.356 3.454 5.059 . 0 0 "[ . 1 . 2]" 1
44 1 3 CYS HB3 1 44 TYR QB 4.000 . 5.000 3.016 1.864 4.018 . 0 0 "[ . 1 . 2]" 1
45 1 3 CYS HB2 1 44 TYR QB 4.000 . 5.000 3.751 2.944 4.105 . 0 0 "[ . 1 . 2]" 1
46 1 3 CYS QB 1 44 TYR QD 5.000 . 8.400 3.141 2.081 3.946 . 0 0 "[ . 1 . 2]" 1
47 1 4 CYS H 1 4 CYS HA 3.000 . 3.000 2.993 2.970 3.003 0.003 1 0 "[ . 1 . 2]" 1
48 1 4 CYS H 1 4 CYS QB 3.000 . 3.600 2.374 2.123 2.626 . 0 0 "[ . 1 . 2]" 1
49 1 4 CYS HA 1 5 PRO HD3 3.000 . 3.000 2.182 1.929 2.391 . 0 0 "[ . 1 . 2]" 1
50 1 4 CYS HA 1 5 PRO HD2 3.000 . 3.000 2.553 2.262 2.764 . 0 0 "[ . 1 . 2]" 1
51 1 4 CYS QB 1 5 PRO HD3 5.000 . 6.000 3.522 2.967 4.146 . 0 0 "[ . 1 . 2]" 1
52 1 4 CYS QB 1 5 PRO HD2 5.000 . 6.000 2.455 1.820 3.366 . 0 0 "[ . 1 . 2]" 1
53 1 4 CYS QB 1 6 SER H 5.000 . 6.000 4.649 4.195 5.504 . 0 0 "[ . 1 . 2]" 1
54 1 4 CYS HA 1 9 ALA MB 5.000 . 6.000 4.172 3.743 4.648 . 0 0 "[ . 1 . 2]" 1
55 1 4 CYS QB 1 9 ALA MB 3.000 . 5.000 2.509 1.939 3.388 . 0 0 "[ . 1 . 2]" 1
56 1 4 CYS H 1 10 ARG HE 5.000 . 5.000 4.521 3.481 5.008 0.008 8 0 "[ . 1 . 2]" 1
57 1 4 CYS QB 1 10 ARG H 5.000 . 6.000 3.139 2.812 3.534 . 0 0 "[ . 1 . 2]" 1
58 1 4 CYS QB 1 10 ARG HA 5.000 . 6.000 2.941 2.359 3.567 . 0 0 "[ . 1 . 2]" 1
59 1 4 CYS QB 1 10 ARG HB3 5.000 . 6.000 3.993 3.434 4.661 . 0 0 "[ . 1 . 2]" 1
60 1 4 CYS QB 1 10 ARG HB2 5.000 . 6.000 2.511 1.946 3.227 . 0 0 "[ . 1 . 2]" 1
61 1 4 CYS QB 1 10 ARG HE 5.000 . 6.000 4.149 3.225 4.689 . 0 0 "[ . 1 . 2]" 1
62 1 4 CYS HA 1 32 CYS HA 3.000 . 3.000 2.508 1.922 2.962 . 0 0 "[ . 1 . 2]" 1
63 1 4 CYS HA 1 32 CYS HB3 5.000 . 5.000 4.270 3.493 4.961 . 0 0 "[ . 1 . 2]" 1
64 1 4 CYS HA 1 32 CYS HB2 5.000 . 5.000 4.385 3.073 5.021 0.021 7 0 "[ . 1 . 2]" 1
65 1 4 CYS HA 1 33 ILE H 5.000 . 5.000 3.603 2.961 4.139 . 0 0 "[ . 1 . 2]" 1
66 1 4 CYS H 1 44 TYR QD 5.000 . 7.400 4.709 4.127 5.597 . 0 0 "[ . 1 . 2]" 1
67 1 4 CYS H 1 44 TYR QE 5.000 . 7.400 5.797 5.084 6.690 . 0 0 "[ . 1 . 2]" 1
68 1 4 CYS HA 1 44 TYR QD 5.000 . 7.400 3.677 2.331 5.111 . 0 0 "[ . 1 . 2]" 1
69 1 4 CYS HA 1 44 TYR QE 5.000 . 7.400 3.568 2.710 5.253 . 0 0 "[ . 1 . 2]" 1
70 1 4 CYS H 1 46 ASN H 5.000 . 5.000 2.540 1.936 2.931 . 0 0 "[ . 1 . 2]" 1
71 1 4 CYS QB 1 46 ASN H 5.000 . 6.000 3.994 3.312 4.260 . 0 0 "[ . 1 . 2]" 1
72 1 4 CYS H 1 46 ASN QB 5.000 . 6.000 4.222 3.841 4.834 . 0 0 "[ . 1 . 2]" 1
73 1 4 CYS QB 1 46 ASN QB 5.000 . 7.000 3.840 3.008 4.373 . 0 0 "[ . 1 . 2]" 1
74 1 5 PRO HA 1 6 SER H 5.000 . 5.000 3.431 2.886 3.466 . 0 0 "[ . 1 . 2]" 1
75 1 5 PRO HB3 1 6 SER H 3.000 . 3.000 3.278 3.139 3.290 0.290 7 0 "[ . 1 . 2]" 1
76 1 5 PRO HB2 1 6 SER H 3.000 . 3.000 1.797 1.757 1.823 0.043 6 0 "[ . 1 . 2]" 1
77 1 5 PRO QB 1 6 SER HA 5.000 . 6.000 3.889 3.745 4.238 . 0 0 "[ . 1 . 2]" 1
78 1 5 PRO QG 1 6 SER H 5.000 . 6.000 1.959 1.853 3.396 . 0 0 "[ . 1 . 2]" 1
79 1 5 PRO QD 1 6 SER H 5.000 . 6.000 3.402 3.077 4.568 . 0 0 "[ . 1 . 2]" 1
80 1 5 PRO QB 1 9 ALA MB 5.000 . 7.000 4.116 3.075 4.746 . 0 0 "[ . 1 . 2]" 1
81 1 5 PRO QG 1 9 ALA MB 5.000 . 7.000 2.769 1.807 3.588 . 0 0 "[ . 1 . 2]" 1
82 1 5 PRO HD3 1 9 ALA MB 5.000 . 6.000 3.914 3.141 4.900 . 0 0 "[ . 1 . 2]" 1
83 1 5 PRO HD2 1 9 ALA MB 5.000 . 6.000 2.485 1.804 3.438 . 0 0 "[ . 1 . 2]" 1
84 1 5 PRO HD3 1 32 CYS HA 4.000 . 4.000 3.055 2.374 3.777 . 0 0 "[ . 1 . 2]" 1
85 1 5 PRO HD2 1 32 CYS HA 4.000 . 4.000 3.604 3.198 4.012 0.012 20 0 "[ . 1 . 2]" 1
86 1 5 PRO QB 1 44 TYR QE 5.000 . 8.400 3.054 2.387 3.974 . 0 0 "[ . 1 . 2]" 1
87 1 5 PRO QG 1 44 TYR QE 5.000 . 8.400 3.314 2.005 4.428 . 0 0 "[ . 1 . 2]" 1
88 1 5 PRO HD3 1 44 TYR QD 5.000 . 7.400 3.817 2.006 5.031 . 0 0 "[ . 1 . 2]" 1
89 1 5 PRO HD3 1 44 TYR QE 5.000 . 7.400 2.640 1.846 4.378 . 0 0 "[ . 1 . 2]" 1
90 1 5 PRO HD2 1 44 TYR QD 5.000 . 7.400 5.164 3.564 6.323 . 0 0 "[ . 1 . 2]" 1
91 1 5 PRO HD2 1 44 TYR QE 5.000 . 7.400 4.189 3.347 5.823 . 0 0 "[ . 1 . 2]" 1
92 1 6 SER H 1 6 SER HA 3.000 . 3.000 2.832 2.683 2.962 . 0 0 "[ . 1 . 2]" 1
93 1 6 SER H 1 6 SER HB3 3.000 . 3.000 2.514 2.015 3.163 0.163 7 0 "[ . 1 . 2]" 1
94 1 6 SER H 1 6 SER HB2 3.000 . 3.000 2.638 2.062 3.151 0.151 17 0 "[ . 1 . 2]" 1
95 1 6 SER HB3 1 7 ILE H 5.000 . 5.000 4.046 3.599 4.583 . 0 0 "[ . 1 . 2]" 1
96 1 6 SER HB2 1 7 ILE H 5.000 . 5.000 4.046 3.532 4.490 . 0 0 "[ . 1 . 2]" 1
97 1 6 SER HA 1 7 ILE H 3.000 . 3.000 2.269 2.207 2.450 . 0 0 "[ . 1 . 2]" 1
98 1 6 SER QB 1 8 VAL H 4.000 . 5.000 3.701 2.725 4.415 . 0 0 "[ . 1 . 2]" 1
99 1 6 SER H 1 9 ALA MB 5.000 . 6.000 3.198 2.469 3.637 . 0 0 "[ . 1 . 2]" 1
100 1 7 ILE H 1 7 ILE HA 3.000 . 3.000 2.806 2.759 2.876 . 0 0 "[ . 1 . 2]" 1
101 1 7 ILE H 1 7 ILE HB 3.000 . 3.000 2.405 2.225 2.561 . 0 0 "[ . 1 . 2]" 1
102 1 7 ILE H 1 7 ILE HG13 4.000 . 4.000 2.453 1.879 3.555 . 0 0 "[ . 1 . 2]" 1
103 1 7 ILE H 1 7 ILE HG12 4.000 . 4.000 3.142 1.868 3.810 . 0 0 "[ . 1 . 2]" 1
104 1 7 ILE H 1 8 VAL H 4.000 . 4.000 2.909 2.599 3.083 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE HA 1 8 VAL H 4.000 . 4.000 3.578 3.524 3.597 . 0 0 "[ . 1 . 2]" 1
106 1 7 ILE HG13 1 8 VAL H 5.000 . 5.000 4.495 4.220 5.006 0.006 16 0 "[ . 1 . 2]" 1
107 1 7 ILE HG12 1 8 VAL H 5.000 . 5.000 4.787 4.105 5.021 0.021 17 0 "[ . 1 . 2]" 1
108 1 7 ILE HB 1 8 VAL H 4.000 . 4.000 2.419 2.218 2.760 . 0 0 "[ . 1 . 2]" 1
109 1 7 ILE MG 1 8 VAL H 5.000 . 6.000 3.175 2.765 3.711 . 0 0 "[ . 1 . 2]" 1
110 1 7 ILE HA 1 10 ARG H 5.000 . 5.000 3.439 3.184 3.637 . 0 0 "[ . 1 . 2]" 1
111 1 7 ILE HA 1 10 ARG HB2 4.000 . 4.000 3.287 2.604 3.798 . 0 0 "[ . 1 . 2]" 1
112 1 7 ILE HA 1 10 ARG HB3 4.000 . 4.000 3.135 2.500 3.703 . 0 0 "[ . 1 . 2]" 1
113 1 7 ILE HA 1 11 SER H 5.000 . 5.000 4.447 3.889 4.812 . 0 0 "[ . 1 . 2]" 1
114 1 7 ILE HA 1 46 ASN HA 5.000 . 5.000 4.757 4.369 5.020 0.020 2 0 "[ . 1 . 2]" 1
115 1 7 ILE HA 1 46 ASN HB3 5.000 . 5.000 3.252 2.870 3.535 . 0 0 "[ . 1 . 2]" 1
116 1 7 ILE HA 1 46 ASN HB2 5.000 . 5.000 4.916 4.523 5.016 0.016 20 0 "[ . 1 . 2]" 1
117 1 8 VAL H 1 8 VAL HA 3.000 . 3.000 2.793 2.748 2.890 . 0 0 "[ . 1 . 2]" 1
118 1 8 VAL H 1 8 VAL HB 3.000 . 3.000 2.393 2.181 2.638 . 0 0 "[ . 1 . 2]" 1
119 1 8 VAL H 1 8 VAL MG1 4.000 . 5.000 3.699 3.651 3.722 . 0 0 "[ . 1 . 2]" 1
120 1 8 VAL HB 1 9 ALA H 3.000 . 3.000 2.381 2.114 2.602 . 0 0 "[ . 1 . 2]" 1
121 1 8 VAL H 1 9 ALA H 4.000 . 4.000 2.960 2.635 3.140 . 0 0 "[ . 1 . 2]" 1
122 1 8 VAL HA 1 9 ALA H 5.000 . 5.000 3.584 3.566 3.595 . 0 0 "[ . 1 . 2]" 1
123 1 8 VAL MG1 1 9 ALA H 5.000 . 6.000 3.065 2.693 3.553 . 0 0 "[ . 1 . 2]" 1
124 1 8 VAL MG2 1 9 ALA H 5.000 . 6.000 3.828 3.612 4.020 . 0 0 "[ . 1 . 2]" 1
125 1 8 VAL HA 1 11 SER H 5.000 . 5.000 3.422 3.113 3.742 . 0 0 "[ . 1 . 2]" 1
126 1 8 VAL HA 1 11 SER QB 4.000 . 5.000 2.764 2.223 3.507 . 0 0 "[ . 1 . 2]" 1
127 1 8 VAL HA 1 12 ASN H 5.000 . 5.000 4.240 4.010 4.566 . 0 0 "[ . 1 . 2]" 1
128 1 8 VAL MG2 1 12 ASN HD21 5.000 . 6.000 4.825 4.437 5.032 . 0 0 "[ . 1 . 2]" 1
129 1 8 VAL MG2 1 12 ASN HD22 5.000 . 6.000 4.664 3.894 5.037 . 0 0 "[ . 1 . 2]" 1
130 1 9 ALA H 1 9 ALA HA 3.000 . 3.000 2.801 2.771 2.847 . 0 0 "[ . 1 . 2]" 1
131 1 9 ALA H 1 9 ALA MB 3.000 . 3.600 2.018 1.919 2.162 . 0 0 "[ . 1 . 2]" 1
132 1 9 ALA H 1 10 ARG H 4.000 . 4.000 2.873 2.724 3.017 . 0 0 "[ . 1 . 2]" 1
133 1 9 ALA MB 1 10 ARG H 3.000 . 4.000 2.472 2.203 2.660 . 0 0 "[ . 1 . 2]" 1
134 1 9 ALA H 1 11 SER H 5.000 . 5.000 4.451 4.237 4.810 . 0 0 "[ . 1 . 2]" 1
135 1 9 ALA HA 1 12 ASN HD21 4.000 . 4.000 3.017 1.951 3.600 . 0 0 "[ . 1 . 2]" 1
136 1 9 ALA HA 1 12 ASN HD22 5.000 . 5.000 3.816 1.867 4.982 . 0 0 "[ . 1 . 2]" 1
137 1 9 ALA MB 1 30 THR HB 5.000 . 6.000 3.238 2.240 3.757 . 0 0 "[ . 1 . 2]" 1
138 1 10 ARG H 1 10 ARG HA 3.000 . 3.000 2.859 2.790 2.913 . 0 0 "[ . 1 . 2]" 1
139 1 10 ARG H 1 10 ARG HB3 4.000 . 4.000 2.537 2.252 2.945 . 0 0 "[ . 1 . 2]" 1
140 1 10 ARG H 1 10 ARG HB2 4.000 . 4.000 2.358 2.027 2.623 . 0 0 "[ . 1 . 2]" 1
141 1 10 ARG H 1 10 ARG QD 5.000 . 6.000 4.327 3.829 4.650 . 0 0 "[ . 1 . 2]" 1
142 1 10 ARG H 1 11 SER H 3.000 . 3.000 2.779 2.537 2.998 . 0 0 "[ . 1 . 2]" 1
143 1 10 ARG HA 1 11 SER H 5.000 . 5.000 3.583 3.559 3.596 . 0 0 "[ . 1 . 2]" 1
144 1 10 ARG HB3 1 11 SER H 4.000 . 4.000 2.356 2.083 2.579 . 0 0 "[ . 1 . 2]" 1
145 1 10 ARG HB2 1 11 SER H 4.000 . 4.000 3.674 3.252 3.941 . 0 0 "[ . 1 . 2]" 1
146 1 10 ARG QG 1 11 SER H 5.000 . 6.000 3.604 3.161 4.098 . 0 0 "[ . 1 . 2]" 1
147 1 10 ARG HA 1 13 PHE H 4.000 . 4.000 3.483 3.039 3.864 . 0 0 "[ . 1 . 2]" 1
148 1 10 ARG HA 1 13 PHE HB3 4.000 . 4.000 2.545 2.116 3.140 . 0 0 "[ . 1 . 2]" 1
149 1 10 ARG HA 1 13 PHE HB2 4.000 . 4.000 3.176 2.719 3.625 . 0 0 "[ . 1 . 2]" 1
150 1 10 ARG HA 1 13 PHE QD 5.000 . 7.400 3.698 2.507 4.764 . 0 0 "[ . 1 . 2]" 1
151 1 10 ARG QD 1 13 PHE QD 5.000 . 8.400 4.422 2.524 6.215 . 0 0 "[ . 1 . 2]" 1
152 1 10 ARG HA 1 14 ASN H 5.000 . 5.000 4.335 3.668 4.760 . 0 0 "[ . 1 . 2]" 1
153 1 10 ARG HG3 1 14 ASN HD21 5.000 . 5.000 3.837 2.549 4.998 . 0 0 "[ . 1 . 2]" 1
154 1 10 ARG HG3 1 14 ASN HD22 5.000 . 5.000 3.816 2.133 4.920 . 0 0 "[ . 1 . 2]" 1
155 1 10 ARG HG2 1 14 ASN HD21 5.000 . 5.000 3.554 2.290 4.852 . 0 0 "[ . 1 . 2]" 1
156 1 10 ARG HG2 1 14 ASN HD22 5.000 . 5.000 3.628 2.118 4.934 . 0 0 "[ . 1 . 2]" 1
157 1 10 ARG QD 1 14 ASN HD21 5.000 . 6.000 3.899 2.762 5.006 . 0 0 "[ . 1 . 2]" 1
158 1 10 ARG QD 1 14 ASN HD22 5.000 . 6.000 3.521 1.919 4.722 . 0 0 "[ . 1 . 2]" 1
159 1 11 SER H 1 11 SER HA 3.000 . 3.000 2.808 2.757 2.873 . 0 0 "[ . 1 . 2]" 1
160 1 11 SER H 1 11 SER QB 3.000 . 3.600 2.217 1.956 2.800 . 0 0 "[ . 1 . 2]" 1
161 1 11 SER H 1 12 ASN H 4.000 . 4.000 3.002 2.638 3.249 . 0 0 "[ . 1 . 2]" 1
162 1 11 SER HA 1 12 ASN H 4.000 . 4.000 3.578 3.552 3.596 . 0 0 "[ . 1 . 2]" 1
163 1 11 SER QB 1 12 ASN H 3.000 . 4.000 2.463 2.039 3.258 . 0 0 "[ . 1 . 2]" 1
164 1 12 ASN H 1 12 ASN HA 3.000 . 3.000 2.834 2.761 2.913 . 0 0 "[ . 1 . 2]" 1
165 1 12 ASN H 1 12 ASN HB2 4.000 . 4.000 2.529 2.017 3.541 . 0 0 "[ . 1 . 2]" 1
166 1 12 ASN H 1 12 ASN HB3 4.000 . 4.000 3.323 2.563 3.547 . 0 0 "[ . 1 . 2]" 1
167 1 12 ASN HB2 1 13 PHE H 4.000 . 4.000 2.891 2.321 3.588 . 0 0 "[ . 1 . 2]" 1
168 1 12 ASN HB3 1 13 PHE H 4.000 . 4.000 3.676 3.313 4.030 0.030 4 0 "[ . 1 . 2]" 1
169 1 12 ASN HA 1 13 PHE H 5.000 . 5.000 3.537 3.393 3.590 . 0 0 "[ . 1 . 2]" 1
170 1 12 ASN H 1 13 PHE H 3.000 . 3.000 2.756 2.507 2.972 . 0 0 "[ . 1 . 2]" 1
171 1 12 ASN H 1 14 ASN H 5.000 . 5.000 4.384 3.982 4.988 . 0 0 "[ . 1 . 2]" 1
172 1 12 ASN HA 1 15 VAL H 4.000 . 4.000 3.464 3.174 3.854 . 0 0 "[ . 1 . 2]" 1
173 1 12 ASN HA 1 15 VAL HB 4.000 . 4.000 2.594 2.173 3.054 . 0 0 "[ . 1 . 2]" 1
174 1 12 ASN QD 1 30 THR MG 5.000 . 7.000 4.136 2.949 4.716 . 0 0 "[ . 1 . 2]" 1
175 1 12 ASN HB3 1 30 THR MG 4.000 . 5.000 2.807 2.027 3.980 . 0 0 "[ . 1 . 2]" 1
176 1 12 ASN HB2 1 30 THR MG 4.000 . 5.000 2.692 2.217 3.006 . 0 0 "[ . 1 . 2]" 1
177 1 12 ASN H 1 30 THR MG 5.000 . 6.000 4.413 3.552 4.735 . 0 0 "[ . 1 . 2]" 1
178 1 13 PHE H 1 13 PHE HA 3.000 . 3.000 2.860 2.770 2.918 . 0 0 "[ . 1 . 2]" 1
179 1 13 PHE H 1 13 PHE HB2 3.000 . 3.000 2.539 2.151 2.779 . 0 0 "[ . 1 . 2]" 1
180 1 13 PHE H 1 13 PHE HB3 3.000 . 3.000 2.357 2.151 2.758 . 0 0 "[ . 1 . 2]" 1
181 1 13 PHE H 1 13 PHE QD 5.000 . 7.400 4.094 3.995 4.140 . 0 0 "[ . 1 . 2]" 1
182 1 13 PHE H 1 14 ASN H 3.000 . 3.000 2.722 2.450 2.987 . 0 0 "[ . 1 . 2]" 1
183 1 13 PHE HA 1 14 ASN H 4.000 . 4.000 3.560 3.500 3.597 . 0 0 "[ . 1 . 2]" 1
184 1 13 PHE HB2 1 14 ASN H 4.000 . 4.000 3.879 3.636 4.034 0.034 12 0 "[ . 1 . 2]" 1
185 1 13 PHE HB3 1 14 ASN H 4.000 . 4.000 2.561 2.109 2.869 . 0 0 "[ . 1 . 2]" 1
186 1 13 PHE QD 1 14 ASN H 5.000 . 7.400 3.428 2.889 4.303 . 0 0 "[ . 1 . 2]" 1
187 1 13 PHE QD 1 14 ASN HA 5.000 . 7.400 3.697 2.587 4.442 . 0 0 "[ . 1 . 2]" 1
188 1 13 PHE HA 1 16 CYS H 4.000 . 4.000 3.608 3.320 4.004 0.004 4 0 "[ . 1 . 2]" 1
189 1 13 PHE HA 1 16 CYS HB2 5.000 . 5.000 3.596 2.996 4.250 . 0 0 "[ . 1 . 2]" 1
190 1 13 PHE HA 1 16 CYS HB3 5.000 . 5.000 2.885 2.496 3.073 . 0 0 "[ . 1 . 2]" 1
191 1 13 PHE QD 1 17 ARG HD3 5.000 . 7.400 4.658 3.211 6.199 . 0 0 "[ . 1 . 2]" 1
192 1 13 PHE QD 1 17 ARG HD2 5.000 . 7.400 5.399 3.572 6.656 . 0 0 "[ . 1 . 2]" 1
193 1 13 PHE QD 1 17 ARG QG 5.000 . 8.400 4.930 2.558 6.363 . 0 0 "[ . 1 . 2]" 1
194 1 13 PHE QE 1 17 ARG QG 5.000 . 8.400 4.325 2.224 5.705 . 0 0 "[ . 1 . 2]" 1
195 1 13 PHE QE 1 17 ARG HD3 5.000 . 7.400 3.511 2.287 4.765 . 0 0 "[ . 1 . 2]" 1
196 1 13 PHE QE 1 17 ARG HD2 5.000 . 7.400 4.169 2.825 5.702 . 0 0 "[ . 1 . 2]" 1
197 1 13 PHE QE 1 23 GLU HA 5.000 . 7.400 3.035 1.920 4.053 . 0 0 "[ . 1 . 2]" 1
198 1 13 PHE QE 1 23 GLU QB 5.000 . 8.400 3.384 2.044 4.392 . 0 0 "[ . 1 . 2]" 1
199 1 13 PHE QE 1 23 GLU HG3 5.000 . 7.400 3.711 1.944 5.698 . 0 0 "[ . 1 . 2]" 1
200 1 13 PHE QE 1 23 GLU HG2 5.000 . 7.400 3.561 2.028 6.126 . 0 0 "[ . 1 . 2]" 1
201 1 13 PHE QD 1 26 CYS HB3 5.000 . 7.400 2.760 2.080 3.945 . 0 0 "[ . 1 . 2]" 1
202 1 13 PHE QE 1 26 CYS HB3 5.000 . 7.400 3.685 2.613 4.648 . 0 0 "[ . 1 . 2]" 1
203 1 13 PHE QD 1 26 CYS HB2 5.000 . 7.400 3.104 2.192 4.453 . 0 0 "[ . 1 . 2]" 1
204 1 13 PHE QE 1 26 CYS HB2 5.000 . 7.400 2.787 1.909 4.126 . 0 0 "[ . 1 . 2]" 1
205 1 13 PHE QD 1 27 ALA HA 4.000 . 6.400 3.008 2.516 3.700 . 0 0 "[ . 1 . 2]" 1
206 1 13 PHE QE 1 27 ALA HA 5.000 . 7.400 3.318 2.024 4.553 . 0 0 "[ . 1 . 2]" 1
207 1 13 PHE QE 1 27 ALA H 5.000 . 7.400 2.922 2.125 3.969 . 0 0 "[ . 1 . 2]" 1
208 1 13 PHE QE 1 27 ALA MB 4.000 . 7.400 2.730 1.865 3.522 . 0 0 "[ . 1 . 2]" 1
209 1 13 PHE H 1 30 THR MG 4.000 . 5.000 3.019 2.133 3.584 . 0 0 "[ . 1 . 2]" 1
210 1 13 PHE HA 1 30 THR MG 4.000 . 5.000 2.445 1.762 3.010 0.038 2 0 "[ . 1 . 2]" 1
211 1 13 PHE HB2 1 30 THR MG 5.000 . 6.000 2.928 2.171 3.684 . 0 0 "[ . 1 . 2]" 1
212 1 13 PHE HB3 1 30 THR MG 5.000 . 6.000 4.070 3.340 4.855 . 0 0 "[ . 1 . 2]" 1
213 1 13 PHE QD 1 32 CYS QB 5.000 . 8.400 3.422 1.960 4.163 . 0 0 "[ . 1 . 2]" 1
214 1 13 PHE QE 1 34 ILE MD 5.000 . 8.400 4.371 2.755 5.432 . 0 0 "[ . 1 . 2]" 1
215 1 14 ASN H 1 14 ASN HA 3.000 . 3.000 2.882 2.841 2.936 . 0 0 "[ . 1 . 2]" 1
216 1 14 ASN H 1 14 ASN HB3 4.000 . 4.000 3.375 2.623 3.525 . 0 0 "[ . 1 . 2]" 1
217 1 14 ASN HA 1 14 ASN HD22 5.000 . 5.000 4.007 3.312 5.076 0.076 9 0 "[ . 1 . 2]" 1
218 1 14 ASN H 1 14 ASN HB2 4.000 . 4.000 2.182 1.949 3.538 . 0 0 "[ . 1 . 2]" 1
219 1 14 ASN H 1 15 VAL H 3.000 . 3.000 2.601 2.338 2.809 . 0 0 "[ . 1 . 2]" 1
220 1 14 ASN HA 1 15 VAL H 4.000 . 4.000 3.536 3.467 3.584 . 0 0 "[ . 1 . 2]" 1
221 1 14 ASN H 1 15 VAL MG1 5.000 . 6.000 4.932 4.886 4.985 . 0 0 "[ . 1 . 2]" 1
222 1 14 ASN HB2 1 15 VAL H 4.000 . 4.000 2.814 2.413 3.624 . 0 0 "[ . 1 . 2]" 1
223 1 14 ASN HB3 1 15 VAL H 4.000 . 4.000 3.315 2.656 3.987 . 0 0 "[ . 1 . 2]" 1
224 1 14 ASN HA 1 17 ARG HB3 5.000 . 5.000 3.491 2.222 4.679 . 0 0 "[ . 1 . 2]" 1
225 1 14 ASN HA 1 17 ARG HB2 5.000 . 5.000 3.191 2.617 3.909 . 0 0 "[ . 1 . 2]" 1
226 1 14 ASN HA 1 17 ARG QG 5.000 . 6.000 3.978 2.171 5.129 . 0 0 "[ . 1 . 2]" 1
227 1 15 VAL H 1 15 VAL HA 3.000 . 3.000 2.865 2.797 2.944 . 0 0 "[ . 1 . 2]" 1
228 1 15 VAL H 1 15 VAL HB 3.000 . 3.000 1.924 1.887 1.994 . 0 0 "[ . 1 . 2]" 1
229 1 15 VAL H 1 15 VAL MG1 4.000 . 4.600 3.142 2.972 3.299 . 0 0 "[ . 1 . 2]" 1
230 1 15 VAL H 1 15 VAL MG2 4.000 . 4.600 3.256 3.098 3.399 . 0 0 "[ . 1 . 2]" 1
231 1 15 VAL HA 1 15 VAL MG1 3.000 . 3.600 2.990 2.919 3.024 . 0 0 "[ . 1 . 2]" 1
232 1 15 VAL HA 1 15 VAL MG2 3.000 . 3.600 2.010 1.891 2.143 . 0 0 "[ . 1 . 2]" 1
233 1 15 VAL HA 1 16 CYS H 4.000 . 4.000 3.573 3.552 3.585 . 0 0 "[ . 1 . 2]" 1
234 1 15 VAL H 1 16 CYS H 4.000 . 4.000 2.702 2.413 2.973 . 0 0 "[ . 1 . 2]" 1
235 1 15 VAL HB 1 16 CYS H 3.000 . 3.000 3.046 3.012 3.067 0.067 3 0 "[ . 1 . 2]" 1
236 1 15 VAL MG1 1 16 CYS H 5.000 . 6.000 1.976 1.826 2.429 . 0 0 "[ . 1 . 2]" 1
237 1 15 VAL MG2 1 16 CYS H 4.000 . 5.000 4.048 3.970 4.167 . 0 0 "[ . 1 . 2]" 1
238 1 15 VAL HA 1 18 LEU H 5.000 . 5.000 3.442 3.070 3.750 . 0 0 "[ . 1 . 2]" 1
239 1 15 VAL HA 1 18 LEU HB3 4.000 . 4.000 3.598 3.160 4.007 0.007 1 0 "[ . 1 . 2]" 1
240 1 15 VAL HA 1 18 LEU HB2 4.000 . 4.000 2.797 2.295 3.557 . 0 0 "[ . 1 . 2]" 1
241 1 16 CYS H 1 16 CYS HA 3.000 . 3.000 2.838 2.791 2.887 . 0 0 "[ . 1 . 2]" 1
242 1 16 CYS H 1 16 CYS HB3 3.000 . 3.000 2.475 2.272 2.717 . 0 0 "[ . 1 . 2]" 1
243 1 16 CYS H 1 16 CYS HB2 3.000 . 3.000 2.417 2.220 2.635 . 0 0 "[ . 1 . 2]" 1
244 1 16 CYS HA 1 17 ARG H 4.000 . 4.000 3.505 3.442 3.571 . 0 0 "[ . 1 . 2]" 1
245 1 16 CYS H 1 17 ARG H 4.000 . 4.000 2.722 2.556 2.857 . 0 0 "[ . 1 . 2]" 1
246 1 16 CYS HB2 1 17 ARG H 5.000 . 5.000 4.016 3.846 4.235 . 0 0 "[ . 1 . 2]" 1
247 1 16 CYS HB3 1 17 ARG H 5.000 . 5.000 2.875 2.495 3.147 . 0 0 "[ . 1 . 2]" 1
248 1 16 CYS HA 1 18 LEU H 5.000 . 5.000 3.871 3.545 4.323 . 0 0 "[ . 1 . 2]" 1
249 1 16 CYS H 1 26 CYS HB3 5.000 . 5.000 4.511 3.936 4.944 . 0 0 "[ . 1 . 2]" 1
250 1 16 CYS HB3 1 26 CYS HB3 5.000 . 5.000 2.216 1.899 2.509 . 0 0 "[ . 1 . 2]" 1
251 1 16 CYS HB3 1 26 CYS HB2 5.000 . 5.000 3.659 3.440 3.925 . 0 0 "[ . 1 . 2]" 1
252 1 16 CYS HB2 1 26 CYS HB3 5.000 . 5.000 3.388 3.107 3.502 . 0 0 "[ . 1 . 2]" 1
253 1 16 CYS HB2 1 26 CYS HB2 5.000 . 5.000 4.982 4.757 5.056 0.056 14 0 "[ . 1 . 2]" 1
254 1 16 CYS H 1 30 THR MG 5.000 . 6.000 4.565 3.926 4.933 . 0 0 "[ . 1 . 2]" 1
255 1 16 CYS QB 1 30 THR MG 5.000 . 7.000 3.341 2.799 3.783 . 0 0 "[ . 1 . 2]" 1
256 1 17 ARG H 1 17 ARG HA 3.000 . 3.000 2.946 2.910 2.966 . 0 0 "[ . 1 . 2]" 1
257 1 17 ARG HB3 1 17 ARG HE 5.000 . 5.000 3.598 1.964 5.036 0.036 6 0 "[ . 1 . 2]" 1
258 1 17 ARG HB2 1 17 ARG HE 5.000 . 5.000 3.764 2.360 4.769 . 0 0 "[ . 1 . 2]" 1
259 1 17 ARG H 1 18 LEU H 4.000 . 4.000 2.443 2.300 2.596 . 0 0 "[ . 1 . 2]" 1
260 1 17 ARG HA 1 18 LEU H 5.000 . 5.000 3.389 3.205 3.544 . 0 0 "[ . 1 . 2]" 1
261 1 17 ARG QB 1 18 LEU H 5.000 . 6.000 3.154 2.636 3.558 . 0 0 "[ . 1 . 2]" 1
262 1 17 ARG QG 1 18 LEU H 5.000 . 6.000 4.253 3.833 4.661 . 0 0 "[ . 1 . 2]" 1
263 1 17 ARG HD3 1 23 GLU HA 4.000 . 4.000 3.415 2.358 4.086 0.086 14 0 "[ . 1 . 2]" 1
264 1 17 ARG HD2 1 23 GLU HA 4.000 . 4.000 3.440 2.393 4.015 0.015 20 0 "[ . 1 . 2]" 1
265 1 17 ARG QD 1 23 GLU H 5.000 . 6.000 3.796 2.714 5.141 . 0 0 "[ . 1 . 2]" 1
266 1 17 ARG QG 1 26 CYS QB 5.000 . 7.000 4.385 2.906 5.625 . 0 0 "[ . 1 . 2]" 1
267 1 18 LEU H 1 18 LEU HA 3.000 . 3.000 2.859 2.792 2.934 . 0 0 "[ . 1 . 2]" 1
268 1 18 LEU H 1 18 LEU HB2 3.000 . 3.000 2.418 1.953 2.813 . 0 0 "[ . 1 . 2]" 1
269 1 18 LEU H 1 18 LEU HB3 3.000 . 3.000 2.515 2.144 3.050 0.050 11 0 "[ . 1 . 2]" 1
270 1 18 LEU H 1 19 PRO HD2 4.000 . 4.000 2.084 1.864 2.278 . 0 0 "[ . 1 . 2]" 1
271 1 18 LEU H 1 19 PRO HD3 4.000 . 4.000 2.710 2.326 3.195 . 0 0 "[ . 1 . 2]" 1
272 1 18 LEU HA 1 19 PRO QD 5.000 . 6.000 3.496 3.460 3.515 . 0 0 "[ . 1 . 2]" 1
273 1 18 LEU QB 1 19 PRO HD3 5.000 . 6.000 1.840 1.769 2.022 0.031 18 0 "[ . 1 . 2]" 1
274 1 18 LEU QB 1 19 PRO HD2 5.000 . 6.000 2.815 2.405 3.065 . 0 0 "[ . 1 . 2]" 1
275 1 19 PRO QB 1 20 GLY H 5.000 . 6.000 1.996 1.789 3.248 0.011 6 0 "[ . 1 . 2]" 1
276 1 19 PRO QD 1 20 GLY H 4.000 . 5.000 4.158 2.470 4.615 . 0 0 "[ . 1 . 2]" 1
277 1 19 PRO HA 1 20 GLY H 5.000 . 5.000 3.046 2.860 3.593 . 0 0 "[ . 1 . 2]" 1
278 1 19 PRO QB 1 21 THR H 4.000 . 5.000 3.590 2.527 4.222 . 0 0 "[ . 1 . 2]" 1
279 1 19 PRO QB 1 21 THR MG 5.000 . 7.000 4.842 4.497 5.101 . 0 0 "[ . 1 . 2]" 1
280 1 19 PRO QG 1 21 THR MG 5.000 . 7.000 3.864 3.525 4.151 . 0 0 "[ . 1 . 2]" 1
281 1 20 GLY H 1 20 GLY HA2 3.000 . 3.000 2.905 2.573 2.984 . 0 0 "[ . 1 . 2]" 1
282 1 20 GLY H 1 21 THR H 4.000 . 4.000 2.934 1.851 3.772 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLY HA2 1 21 THR H 5.000 . 5.000 2.831 2.438 3.300 . 0 0 "[ . 1 . 2]" 1
284 1 20 GLY HA3 1 21 THR H 5.000 . 5.000 3.513 3.318 3.589 . 0 0 "[ . 1 . 2]" 1
285 1 21 THR H 1 21 THR HA 3.000 . 3.000 2.966 2.878 3.002 0.002 13 0 "[ . 1 . 2]" 1
286 1 21 THR H 1 21 THR HB 3.000 . 3.000 2.781 2.474 3.084 0.084 18 0 "[ . 1 . 2]" 1
287 1 21 THR HA 1 21 THR MG 3.000 . 3.600 2.159 1.944 2.434 . 0 0 "[ . 1 . 2]" 1
288 1 21 THR HA 1 22 PRO QG 5.000 . 6.000 3.881 3.823 4.015 . 0 0 "[ . 1 . 2]" 1
289 1 21 THR HA 1 22 PRO QD 3.000 . 4.000 1.973 1.924 2.079 . 0 0 "[ . 1 . 2]" 1
290 1 21 THR MG 1 22 PRO HD2 5.000 . 6.000 1.906 1.766 2.080 0.034 7 0 "[ . 1 . 2]" 1
291 1 21 THR MG 1 22 PRO HD3 5.000 . 6.000 3.139 2.615 3.367 . 0 0 "[ . 1 . 2]" 1
292 1 21 THR MG 1 25 LEU QB 3.000 . 5.000 1.974 1.748 2.446 0.052 20 0 "[ . 1 . 2]" 1
293 1 21 THR MG 1 25 LEU HG 4.000 . 5.000 4.010 3.729 4.261 . 0 0 "[ . 1 . 2]" 1
294 1 21 THR MG 1 26 CYS H 5.000 . 6.000 3.554 2.875 4.650 . 0 0 "[ . 1 . 2]" 1
295 1 22 PRO HB3 1 23 GLU H 4.000 . 4.000 3.746 3.502 3.990 . 0 0 "[ . 1 . 2]" 1
296 1 22 PRO HB2 1 23 GLU H 4.000 . 4.000 3.045 2.605 3.450 . 0 0 "[ . 1 . 2]" 1
297 1 22 PRO QG 1 23 GLU H 5.000 . 6.000 4.427 4.154 4.645 . 0 0 "[ . 1 . 2]" 1
298 1 22 PRO HA 1 23 GLU H 3.000 . 3.000 2.338 2.229 2.481 . 0 0 "[ . 1 . 2]" 1
299 1 22 PRO HB2 1 24 ALA H 5.000 . 5.000 2.786 2.307 3.173 . 0 0 "[ . 1 . 2]" 1
300 1 22 PRO HB3 1 24 ALA H 5.000 . 5.000 4.449 3.992 4.836 . 0 0 "[ . 1 . 2]" 1
301 1 22 PRO HB2 1 24 ALA MB 5.000 . 6.000 2.805 2.320 3.198 . 0 0 "[ . 1 . 2]" 1
302 1 22 PRO HB3 1 24 ALA MB 5.000 . 6.000 4.281 3.889 4.618 . 0 0 "[ . 1 . 2]" 1
303 1 22 PRO QG 1 24 ALA H 5.000 . 6.000 3.960 3.399 4.367 . 0 0 "[ . 1 . 2]" 1
304 1 22 PRO QG 1 25 LEU H 5.000 . 6.000 2.466 2.226 2.860 . 0 0 "[ . 1 . 2]" 1
305 1 22 PRO HB3 1 25 LEU H 5.000 . 5.000 4.739 4.553 4.960 . 0 0 "[ . 1 . 2]" 1
306 1 22 PRO HB2 1 25 LEU H 5.000 . 5.000 3.250 3.104 3.516 . 0 0 "[ . 1 . 2]" 1
307 1 22 PRO HD2 1 25 LEU MD1 5.000 . 6.000 2.400 1.892 3.220 . 0 0 "[ . 1 . 2]" 1
308 1 22 PRO HD3 1 25 LEU MD1 5.000 . 6.000 3.542 3.198 4.605 . 0 0 "[ . 1 . 2]" 1
309 1 23 GLU H 1 23 GLU HA 3.000 . 3.000 2.817 2.739 2.897 . 0 0 "[ . 1 . 2]" 1
310 1 23 GLU H 1 23 GLU QB 3.000 . 3.600 2.190 1.924 2.455 . 0 0 "[ . 1 . 2]" 1
311 1 23 GLU H 1 23 GLU HG2 5.000 . 5.000 3.617 1.871 4.539 . 0 0 "[ . 1 . 2]" 1
312 1 23 GLU H 1 23 GLU HG3 5.000 . 5.000 3.091 1.874 4.470 . 0 0 "[ . 1 . 2]" 1
313 1 23 GLU HA 1 24 ALA H 5.000 . 5.000 3.560 3.475 3.591 . 0 0 "[ . 1 . 2]" 1
314 1 23 GLU HG3 1 24 ALA H 5.000 . 5.000 4.204 1.924 4.869 . 0 0 "[ . 1 . 2]" 1
315 1 23 GLU HG2 1 24 ALA H 5.000 . 5.000 4.321 1.888 5.017 0.017 16 0 "[ . 1 . 2]" 1
316 1 23 GLU QB 1 24 ALA H 4.000 . 5.000 2.662 2.238 3.592 . 0 0 "[ . 1 . 2]" 1
317 1 23 GLU H 1 24 ALA H 4.000 . 4.000 2.851 2.691 3.074 . 0 0 "[ . 1 . 2]" 1
318 1 23 GLU H 1 26 CYS H 5.000 . 5.000 4.963 4.879 5.047 0.047 14 0 "[ . 1 . 2]" 1
319 1 23 GLU HA 1 26 CYS H 5.000 . 5.000 3.347 3.153 3.519 . 0 0 "[ . 1 . 2]" 1
320 1 23 GLU HA 1 26 CYS HB3 5.000 . 5.000 4.204 3.505 4.843 . 0 0 "[ . 1 . 2]" 1
321 1 23 GLU HA 1 26 CYS HB2 5.000 . 5.000 2.602 2.110 3.091 . 0 0 "[ . 1 . 2]" 1
322 1 23 GLU QB 1 34 ILE MD 5.000 . 7.000 2.725 1.779 4.394 0.021 12 0 "[ . 1 . 2]" 1
323 1 23 GLU QG 1 34 ILE MD 5.000 . 7.000 3.585 2.205 4.844 . 0 0 "[ . 1 . 2]" 1
324 1 24 ALA H 1 24 ALA HA 3.000 . 3.000 2.796 2.739 2.881 . 0 0 "[ . 1 . 2]" 1
325 1 24 ALA H 1 24 ALA MB 3.000 . 3.600 2.056 1.910 2.175 . 0 0 "[ . 1 . 2]" 1
326 1 24 ALA H 1 25 LEU H 4.000 . 4.000 2.960 2.717 3.227 . 0 0 "[ . 1 . 2]" 1
327 1 24 ALA H 1 25 LEU QB 5.000 . 6.000 4.510 4.283 4.696 . 0 0 "[ . 1 . 2]" 1
328 1 24 ALA MB 1 25 LEU H 4.000 . 5.000 2.384 1.922 2.694 . 0 0 "[ . 1 . 2]" 1
329 1 24 ALA MB 1 25 LEU HG 5.000 . 6.000 4.720 4.435 4.876 . 0 0 "[ . 1 . 2]" 1
330 1 24 ALA HA 1 27 ALA H 4.000 . 4.000 3.771 3.471 4.008 0.008 8 0 "[ . 1 . 2]" 1
331 1 24 ALA HA 1 27 ALA MB 4.000 . 5.000 2.683 2.405 3.018 . 0 0 "[ . 1 . 2]" 1
332 1 24 ALA HA 1 34 ILE MD 4.000 . 5.000 2.925 1.865 4.061 . 0 0 "[ . 1 . 2]" 1
333 1 24 ALA H 1 34 ILE MD 5.000 . 6.000 3.739 2.826 4.808 . 0 0 "[ . 1 . 2]" 1
334 1 25 LEU H 1 25 LEU HA 3.000 . 3.000 2.861 2.796 2.930 . 0 0 "[ . 1 . 2]" 1
335 1 25 LEU H 1 25 LEU HB2 3.000 . 3.000 1.980 1.913 2.091 . 0 0 "[ . 1 . 2]" 1
336 1 25 LEU H 1 25 LEU HB3 3.000 . 3.000 3.017 2.908 3.121 0.121 6 0 "[ . 1 . 2]" 1
337 1 25 LEU H 1 25 LEU HG 4.000 . 4.000 3.906 3.764 4.028 0.028 6 0 "[ . 1 . 2]" 1
338 1 25 LEU H 1 26 CYS H 3.000 . 3.000 2.698 2.516 2.847 . 0 0 "[ . 1 . 2]" 1
339 1 25 LEU HA 1 26 CYS H 5.000 . 5.000 3.558 3.515 3.595 . 0 0 "[ . 1 . 2]" 1
340 1 25 LEU HB2 1 26 CYS H 4.000 . 4.000 3.354 2.946 3.601 . 0 0 "[ . 1 . 2]" 1
341 1 25 LEU HB3 1 26 CYS H 4.000 . 4.000 2.746 2.402 3.087 . 0 0 "[ . 1 . 2]" 1
342 1 25 LEU HA 1 28 THR HB 4.000 . 4.000 3.320 2.859 3.996 . 0 0 "[ . 1 . 2]" 1
343 1 26 CYS H 1 26 CYS HA 3.000 . 3.000 2.921 2.885 2.954 . 0 0 "[ . 1 . 2]" 1
344 1 26 CYS H 1 26 CYS HB3 4.000 . 4.000 3.545 3.531 3.570 . 0 0 "[ . 1 . 2]" 1
345 1 26 CYS H 1 26 CYS HB2 4.000 . 4.000 2.413 2.245 2.557 . 0 0 "[ . 1 . 2]" 1
346 1 26 CYS H 1 27 ALA H 3.000 . 3.000 2.574 2.325 2.826 . 0 0 "[ . 1 . 2]" 1
347 1 26 CYS HA 1 27 ALA H 4.000 . 4.000 3.571 3.517 3.594 . 0 0 "[ . 1 . 2]" 1
348 1 26 CYS HB3 1 27 ALA H 4.000 . 4.000 3.573 3.253 4.015 0.015 15 0 "[ . 1 . 2]" 1
349 1 26 CYS HB2 1 27 ALA H 4.000 . 4.000 2.427 2.018 2.830 . 0 0 "[ . 1 . 2]" 1
350 1 26 CYS H 1 27 ALA MB 5.000 . 6.000 4.048 3.938 4.186 . 0 0 "[ . 1 . 2]" 1
351 1 26 CYS HA 1 29 TYR H 5.000 . 5.000 3.377 3.071 4.124 . 0 0 "[ . 1 . 2]" 1
352 1 26 CYS HA 1 29 TYR HB3 5.000 . 6.000 2.997 2.350 3.833 . 0 0 "[ . 1 . 2]" 1
353 1 26 CYS HA 1 29 TYR HB2 5.000 . 6.000 3.316 2.387 4.280 . 0 0 "[ . 1 . 2]" 1
354 1 27 ALA H 1 27 ALA HA 3.000 . 3.000 2.832 2.753 2.907 . 0 0 "[ . 1 . 2]" 1
355 1 27 ALA H 1 27 ALA MB 3.000 . 3.600 2.050 1.914 2.166 . 0 0 "[ . 1 . 2]" 1
356 1 27 ALA H 1 28 THR H 4.000 . 4.000 2.764 2.503 2.954 . 0 0 "[ . 1 . 2]" 1
357 1 27 ALA HA 1 28 THR H 4.000 . 4.000 3.530 3.444 3.591 . 0 0 "[ . 1 . 2]" 1
358 1 27 ALA MB 1 28 THR H 3.000 . 4.000 2.670 2.284 3.012 . 0 0 "[ . 1 . 2]" 1
359 1 27 ALA HA 1 30 THR H 4.000 . 4.000 3.747 3.441 4.009 0.009 14 0 "[ . 1 . 2]" 1
360 1 27 ALA HA 1 30 THR HB 5.000 . 5.000 4.627 3.878 5.004 0.004 14 0 "[ . 1 . 2]" 1
361 1 27 ALA HA 1 32 CYS H . . 4.000 2.792 2.142 3.481 . 0 0 "[ . 1 . 2]" 1
362 1 27 ALA MB 1 32 CYS H 5.000 . 6.000 3.434 2.909 4.037 . 0 0 "[ . 1 . 2]" 1
363 1 27 ALA HA 1 32 CYS HB2 4.000 . 4.000 2.482 1.925 3.731 . 0 0 "[ . 1 . 2]" 1
364 1 27 ALA HA 1 32 CYS HB3 4.000 . 4.000 2.978 2.065 4.009 0.009 13 0 "[ . 1 . 2]" 1
365 1 27 ALA MB 1 32 CYS HB2 5.000 . 6.000 3.245 1.869 4.535 . 0 0 "[ . 1 . 2]" 1
366 1 27 ALA MB 1 32 CYS HB3 5.000 . 6.000 2.926 2.033 4.146 . 0 0 "[ . 1 . 2]" 1
367 1 27 ALA MB 1 33 ILE H 5.000 . 6.000 4.254 3.698 4.665 . 0 0 "[ . 1 . 2]" 1
368 1 27 ALA MB 1 34 ILE HB 5.000 . 6.000 4.836 4.439 5.079 . 0 0 "[ . 1 . 2]" 1
369 1 27 ALA H 1 34 ILE MD 5.000 . 6.000 4.393 3.692 4.794 . 0 0 "[ . 1 . 2]" 1
370 1 27 ALA MB 1 34 ILE MD 5.000 . 7.000 2.563 2.077 3.315 . 0 0 "[ . 1 . 2]" 1
371 1 28 THR H 1 28 THR HA 3.000 . 3.000 2.924 2.840 2.963 . 0 0 "[ . 1 . 2]" 1
372 1 28 THR H 1 28 THR MG 4.000 . 5.000 3.703 3.653 3.747 . 0 0 "[ . 1 . 2]" 1
373 1 28 THR H 1 28 THR HB 3.000 . 3.000 2.438 2.247 2.789 . 0 0 "[ . 1 . 2]" 1
374 1 28 THR MG 1 29 TYR H 5.000 . 6.000 3.534 2.963 4.096 . 0 0 "[ . 1 . 2]" 1
375 1 28 THR H 1 29 TYR H 3.000 . 3.000 2.514 2.266 2.835 . 0 0 "[ . 1 . 2]" 1
376 1 28 THR HA 1 29 TYR H 5.000 . 5.000 3.550 3.461 3.595 . 0 0 "[ . 1 . 2]" 1
377 1 28 THR HB 1 29 TYR H 3.000 . 3.000 2.592 2.136 3.011 0.011 17 0 "[ . 1 . 2]" 1
378 1 28 THR H 1 32 CYS H 5.000 . 5.000 4.835 4.509 5.016 0.016 14 0 "[ . 1 . 2]" 1
379 1 29 TYR H 1 29 TYR HA 3.000 . 3.000 2.900 2.823 2.985 . 0 0 "[ . 1 . 2]" 1
380 1 29 TYR H 1 29 TYR HB3 3.000 . 3.000 2.751 2.355 3.036 0.036 10 0 "[ . 1 . 2]" 1
381 1 29 TYR H 1 29 TYR HB2 3.000 . 3.000 2.221 1.964 2.594 . 0 0 "[ . 1 . 2]" 1
382 1 29 TYR H 1 30 THR MG 5.000 . 6.000 4.092 3.502 4.889 . 0 0 "[ . 1 . 2]" 1
383 1 29 TYR H 1 30 THR H 4.000 . 4.000 2.535 2.194 2.747 . 0 0 "[ . 1 . 2]" 1
384 1 29 TYR HB2 1 30 THR H 5.000 2.800 5.000 3.838 3.490 4.269 . 0 0 "[ . 1 . 2]" 1
385 1 29 TYR HB3 1 30 THR H 5.000 2.800 5.000 3.084 2.813 3.565 . 0 0 "[ . 1 . 2]" 1
386 1 29 TYR HB2 1 30 THR MG 5.000 2.800 6.000 4.261 3.863 4.710 . 0 0 "[ . 1 . 2]" 1
387 1 29 TYR HB3 1 30 THR MG 5.000 2.800 6.000 2.859 2.528 3.310 0.272 9 0 "[ . 1 . 2]" 1
388 1 29 TYR QD 1 30 THR HA 5.000 2.800 7.400 4.345 3.359 4.916 . 0 0 "[ . 1 . 2]" 1
389 1 29 TYR QD 1 30 THR MG 5.000 2.800 8.400 3.423 2.650 4.294 0.150 11 0 "[ . 1 . 2]" 1
390 1 30 THR H 1 30 THR HA 3.000 . 3.000 2.986 2.920 3.003 0.003 15 0 "[ . 1 . 2]" 1
391 1 30 THR HA 1 30 THR MG 3.000 . 3.600 2.258 2.098 2.418 . 0 0 "[ . 1 . 2]" 1
392 1 30 THR H 1 30 THR MG 4.000 . 5.000 2.690 2.290 3.134 . 0 0 "[ . 1 . 2]" 1
393 1 30 THR H 1 31 GLY H 3.000 . 3.000 2.156 1.900 2.526 . 0 0 "[ . 1 . 2]" 1
394 1 30 THR HA 1 31 GLY H 4.000 . 4.000 3.522 3.386 3.590 . 0 0 "[ . 1 . 2]" 1
395 1 30 THR MG 1 31 GLY H 5.000 . 6.000 3.942 3.564 4.197 . 0 0 "[ . 1 . 2]" 1
396 1 31 GLY H 1 31 GLY HA3 3.000 . 3.000 2.972 2.890 2.994 . 0 0 "[ . 1 . 2]" 1
397 1 31 GLY H 1 31 GLY HA2 3.000 . 3.000 2.454 2.350 2.580 . 0 0 "[ . 1 . 2]" 1
398 1 31 GLY H 1 32 CYS H 3.000 . 3.000 2.211 1.870 2.630 . 0 0 "[ . 1 . 2]" 1
399 1 31 GLY HA2 1 32 CYS H 5.000 . 5.000 2.937 2.506 3.240 . 0 0 "[ . 1 . 2]" 1
400 1 31 GLY HA3 1 32 CYS H 5.000 . 5.000 3.499 3.352 3.586 . 0 0 "[ . 1 . 2]" 1
401 1 32 CYS H 1 32 CYS HA 3.000 . 3.000 2.967 2.897 3.003 0.003 11 0 "[ . 1 . 2]" 1
402 1 32 CYS H 1 32 CYS QB 3.000 . 4.000 2.288 1.934 2.563 . 0 0 "[ . 1 . 2]" 1
403 1 32 CYS HA 1 33 ILE H 3.000 . 3.000 2.529 2.249 2.764 . 0 0 "[ . 1 . 2]" 1
404 1 32 CYS HB2 1 33 ILE H 4.000 . 4.000 3.825 3.004 4.013 0.013 6 0 "[ . 1 . 2]" 1
405 1 32 CYS HB3 1 33 ILE H 4.000 . 4.000 2.845 2.119 3.653 . 0 0 "[ . 1 . 2]" 1
406 1 32 CYS HA 1 44 TYR QD 5.000 2.800 7.400 4.758 3.688 6.134 . 0 0 "[ . 1 . 2]" 1
407 1 32 CYS HA 1 44 TYR QE 5.000 2.800 7.400 3.715 2.844 5.532 . 0 0 "[ . 1 . 2]" 1
408 1 33 ILE H 1 33 ILE HA 3.000 . 3.000 2.994 2.972 3.004 0.004 15 0 "[ . 1 . 2]" 1
409 1 33 ILE H 1 33 ILE HB 4.000 . 4.000 3.749 3.638 3.836 . 0 0 "[ . 1 . 2]" 1
410 1 33 ILE H 1 33 ILE HG13 3.000 . 3.000 2.233 1.867 2.885 . 0 0 "[ . 1 . 2]" 1
411 1 33 ILE H 1 33 ILE HG12 4.000 . 4.000 2.562 1.970 3.391 . 0 0 "[ . 1 . 2]" 1
412 1 33 ILE H 1 33 ILE MG 4.000 . 5.000 2.889 2.547 3.122 . 0 0 "[ . 1 . 2]" 1
413 1 33 ILE HA 1 33 ILE MG 3.000 . 3.600 2.283 2.145 2.461 . 0 0 "[ . 1 . 2]" 1
414 1 33 ILE HA 1 34 ILE H 3.000 . 3.000 2.331 2.285 2.423 . 0 0 "[ . 1 . 2]" 1
415 1 33 ILE HB 1 34 ILE H 3.000 . 3.000 2.903 2.639 3.021 0.021 3 0 "[ . 1 . 2]" 1
416 1 33 ILE MG 1 34 ILE H 5.000 . 6.000 3.857 3.679 4.075 . 0 0 "[ . 1 . 2]" 1
417 1 33 ILE MD 1 34 ILE H 5.000 . 6.000 4.102 3.034 4.774 . 0 0 "[ . 1 . 2]" 1
418 1 33 ILE MD 1 41 PRO QG 5.000 . 7.000 4.047 2.929 5.113 . 0 0 "[ . 1 . 2]" 1
419 1 33 ILE H 1 44 TYR QD 5.000 . 7.400 4.549 3.469 5.941 . 0 0 "[ . 1 . 2]" 1
420 1 33 ILE H 1 44 TYR QE 5.000 . 7.400 4.486 3.680 5.491 . 0 0 "[ . 1 . 2]" 1
421 1 33 ILE MG 1 44 TYR QE 5.000 . 8.400 2.886 1.884 4.088 . 0 0 "[ . 1 . 2]" 1
422 1 33 ILE MD 1 44 TYR QD 5.000 . 8.400 2.910 1.871 4.172 . 0 0 "[ . 1 . 2]" 1
423 1 33 ILE MD 1 44 TYR QE 5.000 . 8.400 3.966 2.653 5.347 . 0 0 "[ . 1 . 2]" 1
424 1 34 ILE H 1 34 ILE HA 3.000 . 3.000 2.997 2.982 3.003 0.003 6 0 "[ . 1 . 2]" 1
425 1 34 ILE H 1 34 ILE HG12 4.000 . 4.000 3.925 2.789 4.036 0.036 17 0 "[ . 1 . 2]" 1
426 1 34 ILE H 1 34 ILE HG13 4.000 . 4.000 2.719 2.391 3.931 . 0 0 "[ . 1 . 2]" 1
427 1 34 ILE H 1 34 ILE HB 3.000 . 3.000 2.484 2.297 2.660 . 0 0 "[ . 1 . 2]" 1
428 1 34 ILE HA 1 35 ILE H 3.000 . 3.000 2.237 2.197 2.316 . 0 0 "[ . 1 . 2]" 1
429 1 34 ILE HB 1 35 ILE H 5.000 . 5.000 4.211 4.030 4.436 . 0 0 "[ . 1 . 2]" 1
430 1 34 ILE MG 1 35 ILE H 4.000 . 5.000 2.633 2.133 3.173 . 0 0 "[ . 1 . 2]" 1
431 1 34 ILE HG13 1 35 ILE H 5.000 . 5.000 4.887 4.551 5.053 0.053 13 0 "[ . 1 . 2]" 1
432 1 34 ILE HG12 1 35 ILE H 5.000 . 5.000 4.723 4.086 5.010 0.010 17 0 "[ . 1 . 2]" 1
433 1 35 ILE H 1 35 ILE HA 3.000 . 3.000 2.991 2.954 3.003 0.003 8 0 "[ . 1 . 2]" 1
434 1 35 ILE H 1 35 ILE HG12 5.000 . 5.000 2.204 1.858 3.186 . 0 0 "[ . 1 . 2]" 1
435 1 35 ILE H 1 35 ILE HG13 5.000 . 5.000 2.493 1.942 3.278 . 0 0 "[ . 1 . 2]" 1
436 1 35 ILE H 1 35 ILE MG 4.000 . 5.000 2.757 2.023 3.340 . 0 0 "[ . 1 . 2]" 1
437 1 35 ILE HA 1 35 ILE MG 3.000 . 3.600 2.284 2.117 2.451 . 0 0 "[ . 1 . 2]" 1
438 1 35 ILE H 1 35 ILE MD 5.000 . 6.000 3.695 3.428 3.953 . 0 0 "[ . 1 . 2]" 1
439 1 35 ILE HA 1 36 PRO QD 3.000 . 4.000 1.992 1.925 2.119 . 0 0 "[ . 1 . 2]" 1
440 1 35 ILE HB 1 36 PRO QD 3.000 . 4.000 2.475 1.870 3.277 . 0 0 "[ . 1 . 2]" 1
441 1 35 ILE MG 1 36 PRO QD 5.000 . 7.000 3.176 2.876 3.423 . 0 0 "[ . 1 . 2]" 1
442 1 35 ILE HB 1 37 GLY H 4.000 . 4.000 2.945 2.365 3.922 . 0 0 "[ . 1 . 2]" 1
443 1 35 ILE HG13 1 37 GLY H 5.000 . 5.000 3.029 1.966 3.756 . 0 0 "[ . 1 . 2]" 1
444 1 35 ILE HG12 1 37 GLY H 5.000 . 5.000 4.544 3.668 4.995 . 0 0 "[ . 1 . 2]" 1
445 1 35 ILE MD 1 37 GLY H 5.000 . 6.000 3.186 2.493 3.727 . 0 0 "[ . 1 . 2]" 1
446 1 35 ILE MD 1 38 ALA H 5.000 . 6.000 4.197 2.998 4.734 . 0 0 "[ . 1 . 2]" 1
447 1 35 ILE MD 1 39 THR H 5.000 . 6.000 3.220 1.852 4.958 . 0 0 "[ . 1 . 2]" 1
448 1 35 ILE MD 1 40 CYS HA 3.000 . 4.000 2.891 2.404 3.341 . 0 0 "[ . 1 . 2]" 1
449 1 35 ILE MD 1 40 CYS H 5.000 . 6.000 4.092 3.554 4.656 . 0 0 "[ . 1 . 2]" 1
450 1 35 ILE MD 1 41 PRO HD3 5.000 . 6.000 3.828 2.937 4.468 . 0 0 "[ . 1 . 2]" 1
451 1 35 ILE MD 1 41 PRO HD2 5.000 . 6.000 4.207 3.563 4.860 . 0 0 "[ . 1 . 2]" 1
452 1 36 PRO HA 1 37 GLY H 5.000 . 5.000 3.197 2.690 3.571 . 0 0 "[ . 1 . 2]" 1
453 1 36 PRO HB3 1 37 GLY H 5.000 . 5.000 4.472 4.045 4.715 . 0 0 "[ . 1 . 2]" 1
454 1 36 PRO HB2 1 37 GLY H 5.000 . 5.000 3.920 3.155 4.372 . 0 0 "[ . 1 . 2]" 1
455 1 36 PRO QD 1 37 GLY H 5.000 . 6.000 3.044 2.364 4.016 . 0 0 "[ . 1 . 2]" 1
456 1 37 GLY H 1 37 GLY HA3 3.000 . 3.000 2.648 2.354 2.993 . 0 0 "[ . 1 . 2]" 1
457 1 37 GLY H 1 37 GLY HA2 3.000 . 3.000 2.849 2.409 2.996 . 0 0 "[ . 1 . 2]" 1
458 1 37 GLY HA3 1 38 ALA H 3.000 . 3.000 2.491 2.268 2.893 . 0 0 "[ . 1 . 2]" 1
459 1 37 GLY HA2 1 38 ALA H 3.000 . 3.000 2.754 2.349 3.017 0.017 8 0 "[ . 1 . 2]" 1
460 1 37 GLY H 1 38 ALA H 5.000 . 5.000 4.418 4.158 4.616 . 0 0 "[ . 1 . 2]" 1
461 1 38 ALA H 1 38 ALA HA 3.000 . 3.000 2.797 2.363 3.003 0.003 14 0 "[ . 1 . 2]" 1
462 1 38 ALA H 1 38 ALA MB 3.000 . 3.600 2.422 1.966 2.884 . 0 0 "[ . 1 . 2]" 1
463 1 38 ALA H 1 39 THR H 4.000 . 4.000 2.585 1.956 3.630 . 0 0 "[ . 1 . 2]" 1
464 1 38 ALA HA 1 39 THR H 4.000 . 4.000 3.070 2.254 3.527 . 0 0 "[ . 1 . 2]" 1
465 1 38 ALA H 1 39 THR MG 5.000 . 6.000 4.001 2.987 5.033 . 0 0 "[ . 1 . 2]" 1
466 1 38 ALA MB 1 39 THR H 4.000 . 5.000 3.366 1.903 3.674 . 0 0 "[ . 1 . 2]" 1
467 1 39 THR H 1 39 THR HA 3.000 . 3.000 2.844 2.375 3.002 0.002 16 0 "[ . 1 . 2]" 1
468 1 39 THR H 1 39 THR HB 3.000 . 3.000 2.839 2.553 3.026 0.026 18 0 "[ . 1 . 2]" 1
469 1 39 THR H 1 39 THR MG 4.000 . 5.000 2.431 1.843 3.932 . 0 0 "[ . 1 . 2]" 1
470 1 39 THR HB 1 40 CYS H 5.000 . 5.000 4.046 3.441 4.619 . 0 0 "[ . 1 . 2]" 1
471 1 39 THR MG 1 40 CYS H 4.000 . 5.000 3.366 2.194 4.097 . 0 0 "[ . 1 . 2]" 1
472 1 39 THR HA 1 40 CYS H 3.000 . 3.000 2.424 2.211 2.921 . 0 0 "[ . 1 . 2]" 1
473 1 39 THR H 1 40 CYS H 5.000 . 5.000 4.476 3.968 4.714 . 0 0 "[ . 1 . 2]" 1
474 1 40 CYS H 1 40 CYS HA 3.000 . 3.000 2.983 2.933 3.004 0.004 7 0 "[ . 1 . 2]" 1
475 1 40 CYS HA 1 41 PRO HD2 3.000 . 3.000 2.425 2.172 2.766 . 0 0 "[ . 1 . 2]" 1
476 1 40 CYS HA 1 41 PRO HD3 3.000 . 3.000 2.214 2.029 2.388 . 0 0 "[ . 1 . 2]" 1
477 1 40 CYS QB 1 41 PRO QD 4.000 . 6.000 2.701 1.835 3.411 . 0 0 "[ . 1 . 2]" 1
478 1 40 CYS HB3 1 45 ALA HA 5.000 . 5.000 3.266 1.870 4.343 . 0 0 "[ . 1 . 2]" 1
479 1 40 CYS HB2 1 45 ALA HA 5.000 . 5.000 4.077 2.426 4.999 . 0 0 "[ . 1 . 2]" 1
480 1 41 PRO HA 1 42 GLY H 3.000 . 3.000 2.588 2.221 3.162 0.162 15 0 "[ . 1 . 2]" 1
481 1 41 PRO HB3 1 42 GLY H 5.000 . 5.000 3.753 3.218 4.708 . 0 0 "[ . 1 . 2]" 1
482 1 41 PRO HB2 1 42 GLY H 5.000 . 5.000 2.922 1.906 4.294 . 0 0 "[ . 1 . 2]" 1
483 1 41 PRO QG 1 42 GLY H 5.000 . 6.000 4.118 3.559 4.715 . 0 0 "[ . 1 . 2]" 1
484 1 41 PRO HB2 1 43 ASP H 5.000 . 5.000 2.533 2.156 3.424 . 0 0 "[ . 1 . 2]" 1
485 1 41 PRO HB3 1 43 ASP H 5.000 . 5.000 4.209 3.890 5.033 0.033 13 0 "[ . 1 . 2]" 1
486 1 41 PRO QG 1 43 ASP H 5.000 . 6.000 3.483 2.846 4.390 . 0 0 "[ . 1 . 2]" 1
487 1 41 PRO HB2 1 44 TYR H 5.000 . 5.000 3.373 2.394 3.715 . 0 0 "[ . 1 . 2]" 1
488 1 41 PRO HB3 1 44 TYR H 5.000 . 5.000 4.834 3.916 5.024 0.024 9 0 "[ . 1 . 2]" 1
489 1 41 PRO QG 1 44 TYR H 5.000 . 6.000 2.565 1.919 2.981 . 0 0 "[ . 1 . 2]" 1
490 1 41 PRO QG 1 44 TYR QB 5.000 . 5.000 2.455 1.671 3.256 0.129 1 0 "[ . 1 . 2]" 1
491 1 41 PRO QG 1 44 TYR QD 5.000 . 8.400 4.253 2.732 5.188 . 0 0 "[ . 1 . 2]" 1
492 1 41 PRO QD 1 44 TYR QB 5.000 . 7.000 3.194 1.876 4.076 . 0 0 "[ . 1 . 2]" 1
493 1 42 GLY H 1 42 GLY HA3 3.000 . 3.000 2.470 2.347 2.911 . 0 0 "[ . 1 . 2]" 1
494 1 42 GLY H 1 42 GLY HA2 3.000 . 3.000 2.821 2.344 2.992 . 0 0 "[ . 1 . 2]" 1
495 1 42 GLY HA2 1 43 ASP H 5.000 . 5.000 3.430 3.185 3.589 . 0 0 "[ . 1 . 2]" 1
496 1 42 GLY HA3 1 43 ASP H 5.000 . 5.000 3.045 2.523 3.395 . 0 0 "[ . 1 . 2]" 1
497 1 42 GLY HA3 1 44 TYR H 5.000 . 5.000 4.640 4.228 5.009 0.009 9 0 "[ . 1 . 2]" 1
498 1 42 GLY HA2 1 44 TYR H 5.000 . 5.000 4.018 3.535 4.614 . 0 0 "[ . 1 . 2]" 1
499 1 42 GLY HA3 1 45 ALA MB 5.000 . 6.000 3.946 3.318 4.844 . 0 0 "[ . 1 . 2]" 1
500 1 42 GLY HA2 1 45 ALA MB 5.000 . 6.000 2.442 1.844 3.419 . 0 0 "[ . 1 . 2]" 1
501 1 43 ASP H 1 43 ASP HA 3.000 . 3.000 2.891 2.785 3.002 0.002 1 0 "[ . 1 . 2]" 1
502 1 43 ASP H 1 43 ASP HB3 4.000 . 4.000 2.816 2.208 3.583 . 0 0 "[ . 1 . 2]" 1
503 1 43 ASP H 1 43 ASP HB2 4.000 . 4.000 2.740 1.958 3.615 . 0 0 "[ . 1 . 2]" 1
504 1 43 ASP H 1 44 TYR H 4.000 . 4.000 2.526 1.886 2.918 . 0 0 "[ . 1 . 2]" 1
505 1 43 ASP HA 1 44 TYR H 5.000 . 5.000 3.490 3.249 3.584 . 0 0 "[ . 1 . 2]" 1
506 1 43 ASP QB 1 44 TYR QD 5.000 2.800 8.400 3.897 2.739 4.870 0.061 2 0 "[ . 1 . 2]" 1
507 1 44 TYR H 1 44 TYR HA 3.000 . 3.000 2.981 2.919 3.004 0.004 9 0 "[ . 1 . 2]" 1
508 1 44 TYR H 1 44 TYR QD 5.000 . 7.400 3.996 3.295 4.467 . 0 0 "[ . 1 . 2]" 1
509 1 44 TYR H 1 44 TYR HB2 4.000 . 4.000 2.525 2.017 2.979 . 0 0 "[ . 1 . 2]" 1
510 1 44 TYR H 1 44 TYR HB3 4.000 . 4.000 3.235 2.822 3.532 . 0 0 "[ . 1 . 2]" 1
511 1 44 TYR H 1 45 ALA H 4.000 . 4.000 2.631 1.884 3.369 . 0 0 "[ . 1 . 2]" 1
512 1 44 TYR HA 1 45 ALA H 4.000 . 4.000 2.931 2.471 3.534 . 0 0 "[ . 1 . 2]" 1
513 1 44 TYR H 1 45 ALA MB 5.000 . 6.000 3.508 3.207 4.043 . 0 0 "[ . 1 . 2]" 1
514 1 45 ALA H 1 45 ALA HA 3.000 . 3.000 2.977 2.897 3.003 0.003 19 0 "[ . 1 . 2]" 1
515 1 45 ALA H 1 45 ALA MB 3.000 . 3.600 2.227 1.939 2.466 . 0 0 "[ . 1 . 2]" 1
516 1 45 ALA MB 1 46 ASN H 5.000 . 6.000 3.651 3.558 3.676 . 0 0 "[ . 1 . 2]" 1
517 1 45 ALA H 1 46 ASN H 5.000 . 5.000 3.965 3.737 4.180 . 0 0 "[ . 1 . 2]" 1
518 1 45 ALA HA 1 46 ASN H 3.000 . 3.000 2.348 2.268 2.376 . 0 0 "[ . 1 . 2]" 1
519 1 46 ASN H 1 46 ASN HA 3.000 . 3.000 2.908 2.806 2.996 . 0 0 "[ . 1 . 2]" 1
520 1 46 ASN H 1 46 ASN HB2 4.000 . 4.000 2.836 2.470 3.097 . 0 0 "[ . 1 . 2]" 1
521 1 46 ASN H 1 46 ASN HB3 4.000 . 4.000 3.675 3.439 3.823 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 66
_Distance_constraint_stats_list.Viol_total 30.267
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0229
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.013 0.013 9 0 "[ . 1 . 2]"
1 3 CYS 0.015 0.015 18 0 "[ . 1 . 2]"
1 4 CYS 0.219 0.072 19 0 "[ . 1 . 2]"
1 6 SER 0.508 0.074 4 0 "[ . 1 . 2]"
1 7 ILE 0.002 0.002 8 0 "[ . 1 . 2]"
1 8 VAL 0.015 0.015 4 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.584 0.074 4 0 "[ . 1 . 2]"
1 11 SER 0.007 0.005 9 0 "[ . 1 . 2]"
1 12 ASN 0.015 0.015 4 0 "[ . 1 . 2]"
1 13 PHE 0.411 0.056 9 0 "[ . 1 . 2]"
1 14 ASN 0.058 0.058 9 0 "[ . 1 . 2]"
1 15 VAL 0.005 0.005 9 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.411 0.056 9 0 "[ . 1 . 2]"
1 22 PRO 0.048 0.025 2 0 "[ . 1 . 2]"
1 23 GLU 0.074 0.025 15 0 "[ . 1 . 2]"
1 24 ALA 0.040 0.012 4 0 "[ . 1 . 2]"
1 25 LEU 0.067 0.024 20 0 "[ . 1 . 2]"
1 26 CYS 0.048 0.025 2 0 "[ . 1 . 2]"
1 27 ALA 0.093 0.025 15 0 "[ . 1 . 2]"
1 28 THR 0.040 0.012 4 0 "[ . 1 . 2]"
1 29 TYR 0.067 0.024 20 0 "[ . 1 . 2]"
1 31 GLY 0.019 0.019 20 0 "[ . 1 . 2]"
1 33 ILE 0.015 0.015 18 0 "[ . 1 . 2]"
1 35 ILE 0.013 0.013 9 0 "[ . 1 . 2]"
1 46 ASN 0.236 0.072 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 CYS H 1 33 ILE O 2.300 . 2.500 2.110 1.771 2.439 . 0 0 "[ . 1 . 2]" 2
2 1 3 CYS N 1 33 ILE O 3.300 2.500 3.500 3.022 2.593 3.323 . 0 0 "[ . 1 . 2]" 2
3 1 3 CYS O 1 33 ILE H 2.300 . 2.500 2.284 1.840 2.515 0.015 18 0 "[ . 1 . 2]" 2
4 1 3 CYS O 1 33 ILE N 3.300 2.500 3.500 3.180 2.773 3.387 . 0 0 "[ . 1 . 2]" 2
5 1 1 THR O 1 35 ILE H 2.300 . 2.500 2.097 1.658 2.513 0.013 9 0 "[ . 1 . 2]" 2
6 1 1 THR O 1 35 ILE N 3.300 2.500 3.500 3.033 2.583 3.492 . 0 0 "[ . 1 . 2]" 2
7 1 4 CYS H 1 46 ASN OXT 2.300 . 2.500 2.252 1.873 2.504 0.004 13 0 "[ . 1 . 2]" 2
8 1 4 CYS N 1 46 ASN OXT 3.300 2.500 3.500 3.026 2.689 3.275 . 0 0 "[ . 1 . 2]" 2
9 1 4 CYS O 1 46 ASN H 2.300 . 2.500 2.472 2.369 2.572 0.072 19 0 "[ . 1 . 2]" 2
10 1 4 CYS O 1 46 ASN N 3.300 2.500 3.500 2.906 2.605 3.213 . 0 0 "[ . 1 . 2]" 2
11 1 10 ARG HE 1 46 ASN O 2.300 . 2.500 2.305 1.838 2.508 0.008 2 0 "[ . 1 . 2]" 2
12 1 10 ARG NE 1 46 ASN O 3.300 2.500 3.500 2.989 2.686 3.286 . 0 0 "[ . 1 . 2]" 2
13 1 6 SER O 1 10 ARG H 2.300 . 2.500 2.514 2.335 2.574 0.074 4 0 "[ . 1 . 2]" 2
14 1 6 SER O 1 10 ARG N 3.300 2.500 3.500 3.423 3.269 3.502 0.002 18 0 "[ . 1 . 2]" 2
15 1 7 ILE O 1 11 SER H 2.300 . 2.500 2.176 1.791 2.502 0.002 8 0 "[ . 1 . 2]" 2
16 1 7 ILE O 1 11 SER N 3.300 2.500 3.500 3.113 2.747 3.441 . 0 0 "[ . 1 . 2]" 2
17 1 8 VAL O 1 12 ASN H 2.300 . 2.500 2.248 2.017 2.515 0.015 4 0 "[ . 1 . 2]" 2
18 1 8 VAL O 1 12 ASN N 3.300 2.500 3.500 3.156 2.938 3.343 . 0 0 "[ . 1 . 2]" 2
19 1 9 ALA O 1 13 PHE H 2.300 . 2.500 2.258 1.885 2.483 . 0 0 "[ . 1 . 2]" 2
20 1 9 ALA O 1 13 PHE N 3.300 2.500 3.500 3.099 2.737 3.355 . 0 0 "[ . 1 . 2]" 2
21 1 10 ARG O 1 14 ASN H 2.300 . 2.500 2.148 1.703 2.558 0.058 9 0 "[ . 1 . 2]" 2
22 1 10 ARG O 1 14 ASN N 3.300 2.500 3.500 3.038 2.639 3.472 . 0 0 "[ . 1 . 2]" 2
23 1 11 SER O 1 15 VAL H 2.300 . 2.500 2.269 1.747 2.505 0.005 9 0 "[ . 1 . 2]" 2
24 1 11 SER O 1 15 VAL N 3.300 2.500 3.500 3.172 2.721 3.465 . 0 0 "[ . 1 . 2]" 2
25 1 12 ASN O 1 16 CYS H 2.300 . 2.500 2.012 1.604 2.421 . 0 0 "[ . 1 . 2]" 2
26 1 12 ASN O 1 16 CYS N 3.300 2.500 3.500 2.964 2.577 3.345 . 0 0 "[ . 1 . 2]" 2
27 1 13 PHE O 1 17 ARG H 2.300 . 2.500 2.481 2.296 2.556 0.056 9 0 "[ . 1 . 2]" 2
28 1 13 PHE O 1 17 ARG N 3.300 2.500 3.500 3.237 3.028 3.332 . 0 0 "[ . 1 . 2]" 2
29 1 22 PRO O 1 26 CYS H 2.300 . 2.500 2.386 2.208 2.525 0.025 2 0 "[ . 1 . 2]" 2
30 1 22 PRO O 1 26 CYS N 3.300 2.500 3.500 3.318 3.152 3.486 . 0 0 "[ . 1 . 2]" 2
31 1 23 GLU O 1 27 ALA H 2.300 . 2.500 1.629 1.507 1.902 . 0 0 "[ . 1 . 2]" 2
32 1 23 GLU O 1 27 ALA N 3.300 2.500 3.500 2.572 2.475 2.770 0.025 15 0 "[ . 1 . 2]" 2
33 1 24 ALA O 1 28 THR H 2.300 . 2.500 2.335 1.947 2.512 0.012 4 0 "[ . 1 . 2]" 2
34 1 24 ALA O 1 28 THR N 3.300 2.500 3.500 3.174 2.781 3.410 . 0 0 "[ . 1 . 2]" 2
35 1 25 LEU O 1 29 TYR H 2.300 . 2.500 2.423 1.982 2.524 0.024 20 0 "[ . 1 . 2]" 2
36 1 25 LEU O 1 29 TYR N 3.300 2.500 3.500 3.276 2.924 3.485 . 0 0 "[ . 1 . 2]" 2
37 1 27 ALA O 1 31 GLY H 2.300 . 2.500 2.085 1.651 2.493 . 0 0 "[ . 1 . 2]" 2
38 1 27 ALA O 1 31 GLY N 3.300 2.500 3.500 2.848 2.481 3.314 0.019 20 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 1:22:20 PM GMT (wattos1)