NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
388869 |
1nbl   |
5670 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nbl
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 566
_Distance_constraint_stats_list.Viol_count 1993
_Distance_constraint_stats_list.Viol_total 2635.213
_Distance_constraint_stats_list.Viol_max 0.693
_Distance_constraint_stats_list.Viol_rms 0.0373
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0661
_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 LYS 1.042 0.095 8 0 "[ . 1 . 2]"
1 2 SER 1.379 0.093 9 0 "[ . 1 . 2]"
1 3 CYS 0.877 0.094 20 0 "[ . 1 . 2]"
1 4 CYS 8.758 0.116 16 0 "[ . 1 . 2]"
1 5 ARG 4.617 0.124 10 0 "[ . 1 . 2]"
1 6 ASN 7.556 0.166 8 0 "[ . 1 . 2]"
1 7 THR 6.680 0.133 18 0 "[ . 1 . 2]"
1 8 LEU 7.930 0.251 20 0 "[ . 1 . 2]"
1 9 ALA 9.665 0.251 20 0 "[ . 1 . 2]"
1 10 ARG 4.272 0.109 6 0 "[ . 1 . 2]"
1 11 ASN 3.572 0.115 16 0 "[ . 1 . 2]"
1 12 CYS 2.597 0.110 15 0 "[ . 1 . 2]"
1 13 TYR 3.393 0.110 15 0 "[ . 1 . 2]"
1 14 ASN 3.304 0.522 7 1 "[ . + 1 . 2]"
1 15 ALA 2.613 0.065 5 0 "[ . 1 . 2]"
1 16 CYS 4.269 0.125 18 0 "[ . 1 . 2]"
1 17 ARG 9.917 0.688 7 3 "[ .*+* 1 . 2]"
1 18 PHE 2.627 0.587 7 1 "[ . + 1 . 2]"
1 19 THR 6.194 0.173 11 0 "[ . 1 . 2]"
1 20 GLY 0.675 0.055 6 0 "[ . 1 . 2]"
1 21 GLY 6.124 0.264 10 0 "[ . 1 . 2]"
1 22 SER 16.103 0.693 1 1 "[+ . 1 . 2]"
1 23 GLN 5.371 0.256 13 0 "[ . 1 . 2]"
1 24 PRO 8.846 0.693 1 1 "[+ . 1 . 2]"
1 25 THR 12.990 0.580 1 1 "[+ . 1 . 2]"
1 26 CYS 9.212 0.154 4 0 "[ . 1 . 2]"
1 27 GLY 4.000 0.135 18 0 "[ . 1 . 2]"
1 28 ILE 7.561 0.155 16 0 "[ . 1 . 2]"
1 29 LEU 8.823 0.154 4 0 "[ . 1 . 2]"
1 30 CYS 3.971 0.104 3 0 "[ . 1 . 2]"
1 31 ASP 0.471 0.030 12 0 "[ . 1 . 2]"
1 32 CYS 6.001 0.155 16 0 "[ . 1 . 2]"
1 33 ILE 1.720 0.093 9 0 "[ . 1 . 2]"
1 34 HIS 0.560 0.110 14 0 "[ . 1 . 2]"
1 35 VAL 2.908 0.110 14 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 8.219 0.188 9 0 "[ . 1 . 2]"
1 38 THR 7.855 0.188 9 0 "[ . 1 . 2]"
1 39 THR 7.893 0.245 18 0 "[ . 1 . 2]"
1 40 CYS 4.608 0.245 18 0 "[ . 1 . 2]"
1 41 PRO 3.914 0.169 17 0 "[ . 1 . 2]"
1 42 SER 0.935 0.044 13 0 "[ . 1 . 2]"
1 43 SER 3.277 0.169 17 0 "[ . 1 . 2]"
1 44 HIS 3.509 0.080 14 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 6.620 0.124 10 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 LYS HA 1 35 VAL MG2 4.800 . 5.900 4.378 4.090 4.700 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS QB 1 35 VAL MG2 2.800 . 4.800 2.199 2.039 2.873 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS QE 1 35 VAL MG2 4.000 . 6.000 3.582 2.041 4.171 . 0 0 "[ . 1 . 2]" 1
4 1 1 LYS QE 1 39 THR HA 3.400 . 4.300 3.704 2.406 3.948 . 0 0 "[ . 1 . 2]" 1
5 1 1 LYS HA 1 1 LYS QZ 4.800 . 5.700 4.669 4.572 4.708 . 0 0 "[ . 1 . 2]" 1
6 1 1 LYS QZ 1 35 VAL MG2 4.800 . 6.800 2.806 2.257 3.524 . 0 0 "[ . 1 . 2]" 1
7 1 1 LYS QZ 1 39 THR HA 4.000 . 4.900 2.020 1.869 2.197 . 0 0 "[ . 1 . 2]" 1
8 1 1 LYS QZ 1 39 THR HB 4.000 . 4.900 4.054 3.831 4.188 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER HA 1 32 CYS QB 4.800 . 5.700 4.794 4.564 4.946 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER HA 1 35 VAL MG2 4.000 . 5.100 3.746 3.345 3.918 . 0 0 "[ . 1 . 2]" 1
11 1 2 SER QB 1 34 HIS HA 4.000 . 4.900 3.607 2.951 3.921 . 0 0 "[ . 1 . 2]" 1
12 1 1 LYS HA 1 2 SER H 2.800 . 2.800 2.207 2.168 2.361 . 0 0 "[ . 1 . 2]" 1
13 1 1 LYS QB 1 2 SER H 4.000 . 4.900 3.531 3.294 3.643 . 0 0 "[ . 1 . 2]" 1
14 1 1 LYS QD 1 2 SER H 3.400 . 4.300 2.147 1.980 2.520 . 0 0 "[ . 1 . 2]" 1
15 1 1 LYS QG 1 2 SER H 4.000 . 4.900 3.309 1.982 3.842 . 0 0 "[ . 1 . 2]" 1
16 1 1 LYS QZ 1 2 SER H 4.800 . 5.700 4.657 4.390 4.800 . 0 0 "[ . 1 . 2]" 1
17 1 2 SER H 1 35 VAL MG2 4.000 . 5.100 4.073 3.646 4.162 . 0 0 "[ . 1 . 2]" 1
18 1 1 LYS QD 1 3 CYS HA 4.000 . 4.900 4.131 3.293 4.439 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS QB 1 33 ILE MD 3.400 . 5.400 2.808 2.104 3.261 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS QB 1 33 ILE QG 3.400 . 5.200 2.754 2.352 4.002 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS QB 1 35 VAL MG1 3.400 . 5.400 3.053 2.841 3.413 . 0 0 "[ . 1 . 2]" 1
22 1 1 LYS QD 1 3 CYS H 4.000 . 4.900 4.314 3.622 4.476 . 0 0 "[ . 1 . 2]" 1
23 1 2 SER HA 1 3 CYS H 2.800 . 2.800 2.121 2.073 2.193 . 0 0 "[ . 1 . 2]" 1
24 1 2 SER QB 1 3 CYS H 4.000 . 4.900 3.384 3.091 3.833 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS H 1 4 CYS H 4.800 . 4.800 4.505 4.421 4.640 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS H 1 32 CYS HA 4.800 . 4.800 4.838 4.772 4.894 0.094 20 0 "[ . 1 . 2]" 1
27 1 3 CYS H 1 32 CYS QB 4.000 . 4.900 3.935 3.526 4.242 . 0 0 "[ . 1 . 2]" 1
28 1 3 CYS H 1 33 ILE H 3.400 . 3.400 2.781 2.567 3.057 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS H 1 34 HIS HA 4.000 . 4.000 3.559 3.471 3.623 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS H 1 35 VAL MG1 4.000 . 5.100 3.939 3.900 3.964 . 0 0 "[ . 1 . 2]" 1
31 1 3 CYS H 1 35 VAL MG2 4.000 . 5.100 3.794 3.465 3.941 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS H 1 35 VAL H 4.000 . 4.000 3.935 3.736 4.034 0.034 20 0 "[ . 1 . 2]" 1
33 1 4 CYS HA 1 4 CYS HB3 2.800 . 2.800 2.541 2.501 2.595 . 0 0 "[ . 1 . 2]" 1
34 1 4 CYS HA 1 5 ARG HA 4.000 . 4.000 4.085 4.066 4.116 0.116 16 0 "[ . 1 . 2]" 1
35 1 4 CYS HA 1 9 ALA MB 3.400 . 4.500 3.553 3.470 3.652 . 0 0 "[ . 1 . 2]" 1
36 1 4 CYS HA 1 32 CYS QB 3.400 . 4.300 3.004 2.675 3.850 . 0 0 "[ . 1 . 2]" 1
37 1 4 CYS HB2 1 9 ALA MB 3.400 . 4.500 3.492 3.348 3.520 . 0 0 "[ . 1 . 2]" 1
38 1 3 CYS HA 1 4 CYS H 2.800 . 2.800 2.338 2.252 2.472 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS QB 1 4 CYS H 3.400 . 4.300 3.166 2.805 3.583 . 0 0 "[ . 1 . 2]" 1
40 1 4 CYS H 1 4 CYS HB2 2.800 . 2.800 2.260 2.210 2.306 . 0 0 "[ . 1 . 2]" 1
41 1 4 CYS H 1 4 CYS HB3 3.400 . 3.400 3.489 3.456 3.506 0.106 20 0 "[ . 1 . 2]" 1
42 1 4 CYS H 1 46 SER H 3.400 . 3.400 3.444 3.409 3.473 0.073 5 0 "[ . 1 . 2]" 1
43 1 5 ARG HA 1 44 HIS HA 2.800 . 2.800 1.976 1.921 2.071 . 0 0 "[ . 1 . 2]" 1
44 1 5 ARG HA 1 45 PRO QD 4.000 . 4.900 2.164 2.024 2.439 . 0 0 "[ . 1 . 2]" 1
45 1 5 ARG QB 1 44 HIS HA 3.400 . 4.300 3.159 2.616 3.893 . 0 0 "[ . 1 . 2]" 1
46 1 5 ARG QD 1 44 HIS HA 4.000 . 4.900 4.139 3.246 4.538 . 0 0 "[ . 1 . 2]" 1
47 1 5 ARG H 1 5 ARG HE 4.800 . 4.800 4.733 4.215 4.836 0.036 18 0 "[ . 1 . 2]" 1
48 1 5 ARG QG 1 31 ASP QB 3.400 . 5.200 2.745 2.211 3.342 . 0 0 "[ . 1 . 2]" 1
49 1 4 CYS HA 1 5 ARG H 2.800 . 2.800 2.133 2.017 2.192 . 0 0 "[ . 1 . 2]" 1
50 1 4 CYS HB2 1 5 ARG H 4.000 . 4.000 3.981 3.786 4.040 0.040 11 0 "[ . 1 . 2]" 1
51 1 4 CYS HB3 1 5 ARG H 4.000 . 4.000 2.803 2.558 2.937 . 0 0 "[ . 1 . 2]" 1
52 1 4 CYS H 1 5 ARG H 4.800 . 4.800 4.460 4.351 4.538 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG H 1 6 ASN H 4.000 . 4.000 2.790 2.738 2.886 . 0 0 "[ . 1 . 2]" 1
54 1 5 ARG H 1 9 ALA MB 2.800 . 3.900 2.728 2.526 2.894 . 0 0 "[ . 1 . 2]" 1
55 1 5 ARG H 1 31 ASP QB 4.000 . 4.900 4.176 3.919 4.328 . 0 0 "[ . 1 . 2]" 1
56 1 5 ARG H 1 32 CYS HA 3.400 . 3.400 3.359 3.166 3.457 0.057 19 0 "[ . 1 . 2]" 1
57 1 5 ARG H 1 44 HIS HA 4.000 . 4.000 4.026 3.908 4.056 0.056 20 0 "[ . 1 . 2]" 1
58 1 5 ARG H 1 44 HIS QB 4.000 . 4.900 3.892 3.634 4.020 . 0 0 "[ . 1 . 2]" 1
59 1 5 ARG H 1 44 HIS HD2 2.800 . 2.800 2.467 2.365 2.673 . 0 0 "[ . 1 . 2]" 1
60 1 6 ASN HA 1 9 ALA MB 4.000 . 5.100 4.031 4.018 4.053 . 0 0 "[ . 1 . 2]" 1
61 1 6 ASN HA 1 46 SER HB2 3.400 . 3.400 2.614 2.545 2.688 . 0 0 "[ . 1 . 2]" 1
62 1 6 ASN HA 1 46 SER HB3 2.800 . 2.800 2.862 2.831 2.893 0.093 18 0 "[ . 1 . 2]" 1
63 1 5 ARG QG 1 6 ASN QB 4.000 . 5.800 4.375 3.863 4.587 . 0 0 "[ . 1 . 2]" 1
64 1 6 ASN QB 1 7 THR HB 4.000 . 4.900 3.786 3.667 3.868 . 0 0 "[ . 1 . 2]" 1
65 1 6 ASN QB 1 9 ALA MB 4.000 . 6.000 3.824 2.508 4.057 . 0 0 "[ . 1 . 2]" 1
66 1 6 ASN QB 1 45 PRO QG 4.000 . 5.800 3.687 3.144 4.634 . 0 0 "[ . 1 . 2]" 1
67 1 5 ARG QB 1 6 ASN QD 4.800 . 6.600 4.248 3.191 5.166 . 0 0 "[ . 1 . 2]" 1
68 1 5 ARG QG 1 6 ASN QD 4.000 . 5.800 3.398 2.559 4.621 . 0 0 "[ . 1 . 2]" 1
69 1 6 ASN QD 1 7 THR H 4.000 . 4.900 4.196 4.072 4.489 . 0 0 "[ . 1 . 2]" 1
70 1 6 ASN QD 1 8 LEU QD 4.000 . 7.300 2.772 2.087 3.164 . 0 0 "[ . 1 . 2]" 1
71 1 6 ASN QD 1 9 ALA MB 4.000 . 6.000 2.637 1.904 4.093 . 0 0 "[ . 1 . 2]" 1
72 1 6 ASN QD 1 9 ALA H 4.000 . 4.900 2.568 1.749 4.133 . 0 0 "[ . 1 . 2]" 1
73 1 4 CYS HA 1 6 ASN H 4.000 . 4.000 3.921 3.845 3.999 . 0 0 "[ . 1 . 2]" 1
74 1 4 CYS HB2 1 6 ASN H 3.400 . 3.400 3.379 3.245 3.434 0.034 5 0 "[ . 1 . 2]" 1
75 1 4 CYS HB3 1 6 ASN H 3.400 . 3.400 2.471 2.264 2.547 . 0 0 "[ . 1 . 2]" 1
76 1 5 ARG HA 1 6 ASN H 4.000 . 4.000 3.340 3.207 3.570 . 0 0 "[ . 1 . 2]" 1
77 1 5 ARG QB 1 6 ASN H 3.400 . 4.300 3.598 2.906 3.972 . 0 0 "[ . 1 . 2]" 1
78 1 5 ARG QG 1 6 ASN H 3.400 . 4.300 3.515 2.941 3.778 . 0 0 "[ . 1 . 2]" 1
79 1 6 ASN H 1 7 THR H 4.000 . 4.000 4.108 4.089 4.125 0.125 19 0 "[ . 1 . 2]" 1
80 1 6 ASN H 1 9 ALA MB 2.300 . 3.400 1.905 1.823 1.986 . 0 0 "[ . 1 . 2]" 1
81 1 6 ASN H 1 9 ALA H 3.400 . 3.400 3.253 3.135 3.344 . 0 0 "[ . 1 . 2]" 1
82 1 6 ASN H 1 10 ARG H 3.400 . 3.400 3.446 3.415 3.488 0.088 19 0 "[ . 1 . 2]" 1
83 1 6 ASN H 1 46 SER HB2 4.000 . 4.000 4.002 3.942 4.030 0.030 8 0 "[ . 1 . 2]" 1
84 1 6 ASN H 1 46 SER HB3 3.400 . 3.400 2.920 2.809 2.995 . 0 0 "[ . 1 . 2]" 1
85 1 6 ASN H 1 46 SER H 4.800 . 4.800 3.863 3.721 4.120 . 0 0 "[ . 1 . 2]" 1
86 1 7 THR HA 1 7 THR HB 2.800 . 2.800 2.927 2.921 2.933 0.133 18 0 "[ . 1 . 2]" 1
87 1 7 THR HA 1 10 ARG QB 3.400 . 4.300 1.965 1.916 2.214 . 0 0 "[ . 1 . 2]" 1
88 1 7 THR HA 1 10 ARG QD 4.000 . 4.900 4.333 2.974 4.575 . 0 0 "[ . 1 . 2]" 1
89 1 7 THR HA 1 46 SER HB3 4.000 . 4.000 3.470 3.299 3.659 . 0 0 "[ . 1 . 2]" 1
90 1 6 ASN HA 1 7 THR H 2.300 . 2.300 2.308 2.243 2.334 0.034 9 0 "[ . 1 . 2]" 1
91 1 6 ASN QB 1 7 THR H 2.300 . 3.200 2.136 1.928 2.257 . 0 0 "[ . 1 . 2]" 1
92 1 7 THR H 1 7 THR HB 2.300 . 2.300 2.337 2.321 2.356 0.056 16 0 "[ . 1 . 2]" 1
93 1 7 THR H 1 8 LEU HB3 4.800 . 4.800 4.771 4.502 4.838 0.038 7 0 "[ . 1 . 2]" 1
94 1 7 THR H 1 10 ARG QB 4.800 . 5.700 4.192 4.100 4.537 . 0 0 "[ . 1 . 2]" 1
95 1 7 THR H 1 46 SER HB2 4.000 . 4.000 2.885 2.721 3.158 . 0 0 "[ . 1 . 2]" 1
96 1 7 THR H 1 46 SER HB3 4.000 . 4.000 3.807 3.630 3.952 . 0 0 "[ . 1 . 2]" 1
97 1 8 LEU HA 1 11 ASN QB 3.400 . 4.300 2.660 2.464 3.860 . 0 0 "[ . 1 . 2]" 1
98 1 8 LEU HA 1 8 LEU HB2 2.800 . 2.800 2.811 2.752 2.832 0.032 5 0 "[ . 1 . 2]" 1
99 1 6 ASN QB 1 8 LEU HB3 4.000 . 4.900 3.314 2.517 3.728 . 0 0 "[ . 1 . 2]" 1
100 1 6 ASN HA 1 8 LEU H 4.000 . 4.000 4.012 3.973 4.031 0.031 19 0 "[ . 1 . 2]" 1
101 1 6 ASN QB 1 8 LEU H 3.400 . 4.300 2.293 1.972 2.711 . 0 0 "[ . 1 . 2]" 1
102 1 7 THR MG 1 8 LEU H 3.400 . 4.500 3.664 3.592 3.709 . 0 0 "[ . 1 . 2]" 1
103 1 7 THR H 1 8 LEU H 2.800 . 2.800 2.414 2.167 2.597 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU H 1 8 LEU HB2 2.300 . 2.300 1.901 1.851 1.930 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU H 1 8 LEU HB3 2.800 . 2.800 2.766 2.461 2.858 0.058 11 0 "[ . 1 . 2]" 1
106 1 8 LEU H 1 9 ALA H 2.800 . 2.800 2.385 2.195 2.469 . 0 0 "[ . 1 . 2]" 1
107 1 5 ARG QG 1 9 ALA HA 4.800 . 5.700 5.104 4.757 5.219 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU QD 1 9 ALA HA 4.000 . 6.400 3.407 3.339 3.453 . 0 0 "[ . 1 . 2]" 1
109 1 9 ALA HA 1 12 CYS QB 3.400 . 4.300 2.249 2.148 2.332 . 0 0 "[ . 1 . 2]" 1
110 1 4 CYS HB3 1 9 ALA MB 2.800 . 3.900 2.086 2.005 2.120 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU QD 1 9 ALA MB 2.800 . 6.300 3.764 3.736 3.783 . 0 0 "[ . 1 . 2]" 1
112 1 9 ALA MB 1 10 ARG HA 4.000 . 5.100 4.088 4.014 4.138 . 0 0 "[ . 1 . 2]" 1
113 1 9 ALA MB 1 31 ASP QB 3.400 . 5.400 3.802 3.741 3.934 . 0 0 "[ . 1 . 2]" 1
114 1 9 ALA MB 1 32 CYS HA 4.800 . 5.900 4.451 4.154 4.549 . 0 0 "[ . 1 . 2]" 1
115 1 4 CYS HB3 1 9 ALA H 4.000 . 4.000 4.049 4.028 4.079 0.079 16 0 "[ . 1 . 2]" 1
116 1 6 ASN HA 1 9 ALA H 4.000 . 4.000 4.109 4.067 4.166 0.166 8 0 "[ . 1 . 2]" 1
117 1 7 THR HA 1 9 ALA H 4.000 . 4.000 4.026 4.010 4.045 0.045 8 0 "[ . 1 . 2]" 1
118 1 7 THR MG 1 9 ALA H 4.800 . 5.900 4.926 4.907 4.938 . 0 0 "[ . 1 . 2]" 1
119 1 7 THR H 1 9 ALA H 4.000 . 4.000 3.716 3.438 3.857 . 0 0 "[ . 1 . 2]" 1
120 1 8 LEU HA 1 9 ALA H 3.400 . 3.400 3.438 3.429 3.445 0.045 17 0 "[ . 1 . 2]" 1
121 1 8 LEU HB2 1 9 ALA H 2.800 . 2.800 2.995 2.971 3.051 0.251 20 0 "[ . 1 . 2]" 1
122 1 8 LEU HB3 1 9 ALA H 2.800 . 2.800 2.300 2.178 2.369 . 0 0 "[ . 1 . 2]" 1
123 1 8 LEU QD 1 9 ALA H 4.000 . 6.400 3.553 3.483 3.593 . 0 0 "[ . 1 . 2]" 1
124 1 9 ALA H 1 10 ARG H 2.800 . 2.800 2.464 2.386 2.563 . 0 0 "[ . 1 . 2]" 1
125 1 4 CYS HB2 1 10 ARG HA 4.000 . 4.000 3.425 3.308 3.564 . 0 0 "[ . 1 . 2]" 1
126 1 4 CYS HB3 1 10 ARG HA 4.000 . 4.000 3.556 3.461 3.817 . 0 0 "[ . 1 . 2]" 1
127 1 10 ARG HA 1 10 ARG QD 4.000 . 4.900 2.556 2.251 4.000 . 0 0 "[ . 1 . 2]" 1
128 1 4 CYS HA 1 10 ARG QB 4.800 . 5.700 4.908 4.867 4.938 . 0 0 "[ . 1 . 2]" 1
129 1 4 CYS HB2 1 10 ARG QD 4.800 . 5.700 4.352 4.034 4.546 . 0 0 "[ . 1 . 2]" 1
130 1 4 CYS HB2 1 10 ARG HE 4.000 . 4.000 2.640 2.445 3.508 . 0 0 "[ . 1 . 2]" 1
131 1 10 ARG HA 1 10 ARG HE 4.000 . 4.000 2.998 2.283 3.322 . 0 0 "[ . 1 . 2]" 1
132 1 10 ARG HE 1 10 ARG QG 3.400 . 4.300 2.667 2.576 3.383 . 0 0 "[ . 1 . 2]" 1
133 1 10 ARG HE 1 13 TYR QR 3.400 . 5.900 4.522 3.360 4.668 . 0 0 "[ . 1 . 2]" 1
134 1 2 SER QB 1 10 ARG QH 4.800 . 6.600 3.329 2.692 4.105 . 0 0 "[ . 1 . 2]" 1
135 1 3 CYS HA 1 10 ARG QH 4.000 . 4.900 2.343 2.085 2.721 . 0 0 "[ . 1 . 2]" 1
136 1 4 CYS HB2 1 10 ARG QH 4.800 . 5.700 3.133 2.903 3.737 . 0 0 "[ . 1 . 2]" 1
137 1 4 CYS H 1 10 ARG QH 4.000 . 4.900 2.630 2.258 3.010 . 0 0 "[ . 1 . 2]" 1
138 1 10 ARG HA 1 10 ARG QH 4.800 . 5.700 3.716 3.488 4.480 . 0 0 "[ . 1 . 2]" 1
139 1 10 ARG QH 1 13 TYR QR 3.400 . 6.800 2.577 2.159 4.159 . 0 0 "[ . 1 . 2]" 1
140 1 4 CYS HB2 1 10 ARG H 4.000 . 4.000 3.188 3.057 3.384 . 0 0 "[ . 1 . 2]" 1
141 1 6 ASN HA 1 10 ARG H 4.800 . 4.800 4.779 4.724 4.838 0.038 5 0 "[ . 1 . 2]" 1
142 1 7 THR HA 1 10 ARG H 3.400 . 3.400 3.301 3.268 3.353 . 0 0 "[ . 1 . 2]" 1
143 1 9 ALA HA 1 10 ARG H 3.400 . 3.400 3.455 3.439 3.489 0.089 5 0 "[ . 1 . 2]" 1
144 1 9 ALA MB 1 10 ARG H 2.800 . 3.900 2.512 2.465 2.591 . 0 0 "[ . 1 . 2]" 1
145 1 10 ARG H 1 10 ARG QB 2.800 . 3.700 1.939 1.896 2.081 . 0 0 "[ . 1 . 2]" 1
146 1 10 ARG H 1 10 ARG QD 4.000 . 4.900 4.317 4.253 4.361 . 0 0 "[ . 1 . 2]" 1
147 1 10 ARG H 1 13 TYR H 4.800 . 4.800 4.363 4.294 4.471 . 0 0 "[ . 1 . 2]" 1
148 1 10 ARG H 1 46 SER HB3 4.000 . 4.000 3.849 3.705 3.978 . 0 0 "[ . 1 . 2]" 1
149 1 11 ASN HA 1 14 ASN QB 4.800 . 5.700 2.743 2.587 2.822 . 0 0 "[ . 1 . 2]" 1
150 1 7 THR MG 1 11 ASN QB 4.000 . 6.000 4.241 3.544 4.292 . 0 0 "[ . 1 . 2]" 1
151 1 11 ASN QB 1 15 ALA MB 4.000 . 6.000 4.100 4.055 4.160 . 0 0 "[ . 1 . 2]" 1
152 1 7 THR HA 1 11 ASN QD 4.800 . 5.700 5.069 4.967 5.103 . 0 0 "[ . 1 . 2]" 1
153 1 7 THR MG 1 11 ASN QD 2.800 . 4.800 2.741 2.596 3.087 . 0 0 "[ . 1 . 2]" 1
154 1 8 LEU HA 1 11 ASN QD 3.400 . 4.300 2.870 2.136 3.002 . 0 0 "[ . 1 . 2]" 1
155 1 8 LEU QD 1 11 ASN QD 4.000 . 7.300 3.919 3.104 4.034 . 0 0 "[ . 1 . 2]" 1
156 1 7 THR MG 1 11 ASN H 4.000 . 5.100 4.087 3.983 4.111 . 0 0 "[ . 1 . 2]" 1
157 1 8 LEU HA 1 11 ASN H 3.400 . 3.400 3.476 3.451 3.515 0.115 16 0 "[ . 1 . 2]" 1
158 1 9 ALA MB 1 11 ASN H 4.000 . 5.100 4.342 4.323 4.380 . 0 0 "[ . 1 . 2]" 1
159 1 10 ARG HA 1 11 ASN H 3.400 . 3.400 3.497 3.471 3.509 0.109 6 0 "[ . 1 . 2]" 1
160 1 10 ARG QB 1 11 ASN H 3.400 . 4.300 2.498 2.440 2.571 . 0 0 "[ . 1 . 2]" 1
161 1 10 ARG QD 1 11 ASN H 4.000 . 4.900 4.296 4.220 4.482 . 0 0 "[ . 1 . 2]" 1
162 1 10 ARG QG 1 11 ASN H 4.000 . 4.900 3.394 3.217 3.452 . 0 0 "[ . 1 . 2]" 1
163 1 10 ARG H 1 11 ASN H 2.800 . 2.800 2.661 2.564 2.744 . 0 0 "[ . 1 . 2]" 1
164 1 12 CYS HA 1 15 ALA MB 3.400 . 4.500 2.289 2.237 2.328 . 0 0 "[ . 1 . 2]" 1
165 1 9 ALA HA 1 12 CYS H 3.400 . 3.400 3.384 3.279 3.438 0.038 9 0 "[ . 1 . 2]" 1
166 1 12 CYS H 1 13 TYR QB 4.800 . 5.700 4.527 4.491 4.587 . 0 0 "[ . 1 . 2]" 1
167 1 12 CYS H 1 13 TYR H 2.800 . 2.800 2.817 2.801 2.832 0.032 8 0 "[ . 1 . 2]" 1
168 1 12 CYS H 1 15 ALA MB 4.000 . 5.100 4.202 4.175 4.222 . 0 0 "[ . 1 . 2]" 1
169 1 13 TYR HA 1 16 CYS QB 3.400 . 4.300 2.514 2.428 2.685 . 0 0 "[ . 1 . 2]" 1
170 1 13 TYR HA 1 26 CYS QB 3.400 . 4.300 2.137 2.077 2.162 . 0 0 "[ . 1 . 2]" 1
171 1 13 TYR HA 1 30 CYS QB 4.000 . 4.900 3.330 3.036 3.539 . 0 0 "[ . 1 . 2]" 1
172 1 10 ARG HA 1 13 TYR QB 3.400 . 4.300 2.120 2.046 2.166 . 0 0 "[ . 1 . 2]" 1
173 1 13 TYR QB 1 30 CYS QB 3.400 . 5.200 2.507 2.341 2.614 . 0 0 "[ . 1 . 2]" 1
174 1 2 SER QB 1 13 TYR QR 4.000 . 7.400 3.384 3.047 3.678 . 0 0 "[ . 1 . 2]" 1
175 1 10 ARG HA 1 13 TYR QR 4.000 . 6.500 3.485 3.173 3.701 . 0 0 "[ . 1 . 2]" 1
176 1 13 TYR HA 1 13 TYR QR 2.800 . 5.300 3.146 3.024 3.264 . 0 0 "[ . 1 . 2]" 1
177 1 13 TYR QR 1 17 ARG HB3 4.000 . 6.500 4.673 4.477 4.857 . 0 0 "[ . 1 . 2]" 1
178 1 13 TYR QR 1 17 ARG HB2 3.400 . 5.900 4.085 3.982 4.244 . 0 0 "[ . 1 . 2]" 1
179 1 13 TYR QR 1 17 ARG QG 3.400 . 6.800 4.227 2.625 4.655 . 0 0 "[ . 1 . 2]" 1
180 1 13 TYR QR 1 26 CYS HA 3.400 . 5.900 3.912 3.847 3.993 . 0 0 "[ . 1 . 2]" 1
181 1 13 TYR QR 1 26 CYS QB 2.800 . 6.200 2.312 2.198 2.417 . 0 0 "[ . 1 . 2]" 1
182 1 13 TYR QR 1 27 GLY QA 2.800 . 6.200 2.529 2.240 2.742 . 0 0 "[ . 1 . 2]" 1
183 1 13 TYR QR 1 30 CYS QB 3.400 . 6.800 3.186 3.095 3.302 . 0 0 "[ . 1 . 2]" 1
184 1 13 TYR QR 1 32 CYS QB 2.800 . 6.200 2.332 2.198 2.462 . 0 0 "[ . 1 . 2]" 1
185 1 9 ALA HA 1 13 TYR H 4.000 . 4.000 3.841 3.765 3.920 . 0 0 "[ . 1 . 2]" 1
186 1 9 ALA MB 1 13 TYR H 4.000 . 5.100 4.310 4.287 4.323 . 0 0 "[ . 1 . 2]" 1
187 1 10 ARG HA 1 13 TYR H 3.400 . 3.400 3.407 3.362 3.420 0.020 1 0 "[ . 1 . 2]" 1
188 1 10 ARG QB 1 13 TYR H 4.800 . 5.700 4.769 4.738 4.833 . 0 0 "[ . 1 . 2]" 1
189 1 11 ASN HA 1 13 TYR H 4.800 . 4.800 4.323 4.222 4.471 . 0 0 "[ . 1 . 2]" 1
190 1 12 CYS HA 1 13 TYR H 3.400 . 3.400 3.500 3.492 3.510 0.110 15 0 "[ . 1 . 2]" 1
191 1 12 CYS QB 1 13 TYR H 3.400 . 4.300 2.549 2.426 2.597 . 0 0 "[ . 1 . 2]" 1
192 1 13 TYR H 1 14 ASN H 3.400 . 3.400 2.800 2.746 2.889 . 0 0 "[ . 1 . 2]" 1
193 1 13 TYR H 1 15 ALA H 4.000 . 4.000 3.835 3.762 3.972 . 0 0 "[ . 1 . 2]" 1
194 1 13 TYR H 1 26 CYS QB 4.800 . 5.700 4.780 4.707 4.822 . 0 0 "[ . 1 . 2]" 1
195 1 13 TYR H 1 30 CYS QB 4.000 . 4.900 3.163 2.872 3.318 . 0 0 "[ . 1 . 2]" 1
196 1 14 ASN QB 1 15 ALA MB 4.000 . 6.000 3.885 3.828 3.943 . 0 0 "[ . 1 . 2]" 1
197 1 10 ARG QB 1 14 ASN QD 3.400 . 5.200 4.174 4.072 4.202 . 0 0 "[ . 1 . 2]" 1
198 1 10 ARG QD 1 14 ASN QD 3.400 . 5.200 2.195 1.988 3.076 . 0 0 "[ . 1 . 2]" 1
199 1 10 ARG QG 1 14 ASN QD 4.000 . 5.800 2.565 2.158 2.684 . 0 0 "[ . 1 . 2]" 1
200 1 11 ASN HA 1 14 ASN QD 3.400 . 4.300 2.802 2.700 2.911 . 0 0 "[ . 1 . 2]" 1
201 1 11 ASN HA 1 14 ASN H 4.000 . 4.000 3.405 3.215 3.479 . 0 0 "[ . 1 . 2]" 1
202 1 13 TYR HA 1 14 ASN H 4.000 . 4.000 3.541 3.524 3.555 . 0 0 "[ . 1 . 2]" 1
203 1 13 TYR QB 1 14 ASN H 3.400 . 4.300 2.644 2.583 2.788 . 0 0 "[ . 1 . 2]" 1
204 1 13 TYR QR 1 14 ASN H 4.000 . 6.500 3.111 2.965 3.305 . 0 0 "[ . 1 . 2]" 1
205 1 14 ASN H 1 14 ASN QB 2.800 . 3.700 2.403 2.382 2.419 . 0 0 "[ . 1 . 2]" 1
206 1 14 ASN H 1 14 ASN QD 4.000 . 4.900 3.566 3.496 3.682 . 0 0 "[ . 1 . 2]" 1
207 1 14 ASN H 1 15 ALA H 2.800 . 2.800 2.383 2.320 2.424 . 0 0 "[ . 1 . 2]" 1
208 1 14 ASN H 1 16 CYS H 4.000 . 4.000 4.043 4.028 4.056 0.056 7 0 "[ . 1 . 2]" 1
209 1 11 ASN HA 1 15 ALA H 4.000 . 4.000 3.996 3.864 4.022 0.022 16 0 "[ . 1 . 2]" 1
210 1 14 ASN HA 1 15 ALA H 3.400 . 3.400 3.458 3.452 3.465 0.065 5 0 "[ . 1 . 2]" 1
211 1 14 ASN QB 1 15 ALA H 3.400 . 4.300 2.752 2.670 2.805 . 0 0 "[ . 1 . 2]" 1
212 1 15 ALA H 1 16 CYS H 2.800 . 2.800 2.675 2.610 2.755 . 0 0 "[ . 1 . 2]" 1
213 1 16 CYS HA 1 19 THR HB 4.000 . 4.000 4.059 4.043 4.083 0.083 9 0 "[ . 1 . 2]" 1
214 1 15 ALA MB 1 16 CYS QB 4.000 . 6.000 3.867 3.783 3.933 . 0 0 "[ . 1 . 2]" 1
215 1 16 CYS QB 1 26 CYS HA 4.000 . 4.900 2.709 2.677 2.733 . 0 0 "[ . 1 . 2]" 1
216 1 16 CYS QB 1 26 CYS QB 3.400 . 5.200 2.655 2.521 2.780 . 0 0 "[ . 1 . 2]" 1
217 1 16 CYS QB 1 29 LEU QD 3.400 . 6.700 3.221 2.117 3.644 . 0 0 "[ . 1 . 2]" 1
218 1 12 CYS HA 1 16 CYS H 4.000 . 4.000 3.997 3.975 4.013 0.013 8 0 "[ . 1 . 2]" 1
219 1 13 TYR HA 1 16 CYS H 4.000 . 4.000 3.098 2.928 3.277 . 0 0 "[ . 1 . 2]" 1
220 1 15 ALA HA 1 16 CYS H 4.000 . 4.000 3.687 3.655 3.740 . 0 0 "[ . 1 . 2]" 1
221 1 15 ALA MB 1 16 CYS H 4.000 . 5.100 2.679 2.636 2.738 . 0 0 "[ . 1 . 2]" 1
222 1 16 CYS H 1 17 ARG H 2.800 . 2.800 2.408 2.320 2.538 . 0 0 "[ . 1 . 2]" 1
223 1 16 CYS H 1 26 CYS HA 4.800 . 4.800 4.909 4.881 4.925 0.125 18 0 "[ . 1 . 2]" 1
224 1 16 CYS H 1 26 CYS QB 4.800 . 5.700 4.095 3.957 4.238 . 0 0 "[ . 1 . 2]" 1
225 1 14 ASN HA 1 17 ARG HB3 3.400 . 3.400 2.672 2.334 3.922 0.522 7 1 "[ . + 1 . 2]" 1
226 1 14 ASN HA 1 17 ARG HB2 4.000 . 4.000 3.045 2.304 3.631 . 0 0 "[ . 1 . 2]" 1
227 1 17 ARG HB3 1 17 ARG HE 4.000 . 4.000 3.930 3.409 4.070 0.070 11 0 "[ . 1 . 2]" 1
228 1 17 ARG HB2 1 17 ARG HE 3.400 . 3.400 3.033 2.726 4.048 0.648 7 3 "[ .*+- 1 . 2]" 1
229 1 17 ARG HE 1 17 ARG QG 3.400 . 4.300 2.987 2.390 3.198 . 0 0 "[ . 1 . 2]" 1
230 1 17 ARG H 1 17 ARG HE 4.800 . 4.800 4.243 4.010 4.612 . 0 0 "[ . 1 . 2]" 1
231 1 17 ARG HE 1 22 SER HA 4.000 . 4.000 3.996 3.739 4.069 0.069 7 0 "[ . 1 . 2]" 1
232 1 17 ARG HE 1 23 GLN QG 4.000 . 4.900 3.568 2.678 4.325 . 0 0 "[ . 1 . 2]" 1
233 1 17 ARG HA 1 17 ARG QH 4.000 . 4.900 2.820 2.602 3.377 . 0 0 "[ . 1 . 2]" 1
234 1 17 ARG QH 1 22 SER HA 3.400 . 4.300 2.151 2.032 2.443 . 0 0 "[ . 1 . 2]" 1
235 1 17 ARG QH 1 23 GLN QB 4.000 . 5.800 3.729 2.560 4.319 . 0 0 "[ . 1 . 2]" 1
236 1 17 ARG QH 1 23 GLN QG 4.800 . 6.600 3.470 2.076 4.681 . 0 0 "[ . 1 . 2]" 1
237 1 17 ARG QH 1 23 GLN H 4.000 . 4.900 3.277 2.875 4.015 . 0 0 "[ . 1 . 2]" 1
238 1 13 TYR HA 1 17 ARG H 4.000 . 4.000 4.042 4.028 4.062 0.062 19 0 "[ . 1 . 2]" 1
239 1 15 ALA HA 1 17 ARG H 4.000 . 4.000 4.044 4.029 4.062 0.062 9 0 "[ . 1 . 2]" 1
240 1 15 ALA H 1 17 ARG H 4.000 . 4.000 3.703 3.630 3.777 . 0 0 "[ . 1 . 2]" 1
241 1 16 CYS QB 1 17 ARG H 3.400 . 4.300 3.064 2.991 3.281 . 0 0 "[ . 1 . 2]" 1
242 1 17 ARG H 1 17 ARG HB3 2.800 . 2.800 2.707 2.466 3.488 0.688 7 3 "[ .*+- 1 . 2]" 1
243 1 17 ARG H 1 17 ARG HB2 3.400 . 3.400 2.480 2.211 2.644 . 0 0 "[ . 1 . 2]" 1
244 1 17 ARG H 1 18 PHE H 2.800 . 2.800 2.476 2.311 2.537 . 0 0 "[ . 1 . 2]" 1
245 1 17 ARG H 1 19 THR MG 4.800 . 5.900 4.758 4.686 4.786 . 0 0 "[ . 1 . 2]" 1
246 1 17 ARG H 1 19 THR H 4.000 . 4.000 4.037 4.026 4.048 0.048 19 0 "[ . 1 . 2]" 1
247 1 17 ARG H 1 26 CYS QB 4.000 . 4.900 4.041 3.819 4.216 . 0 0 "[ . 1 . 2]" 1
248 1 15 ALA HA 1 18 PHE HB3 2.800 . 2.800 2.815 2.641 2.859 0.059 2 0 "[ . 1 . 2]" 1
249 1 15 ALA MB 1 18 PHE HB3 4.000 . 5.100 3.815 3.715 3.851 . 0 0 "[ . 1 . 2]" 1
250 1 18 PHE HB3 1 19 THR MG 4.000 . 5.100 2.607 2.151 2.849 . 0 0 "[ . 1 . 2]" 1
251 1 15 ALA HA 1 18 PHE HB2 2.800 . 2.800 2.371 2.177 2.484 . 0 0 "[ . 1 . 2]" 1
252 1 15 ALA MB 1 18 PHE HB2 4.000 . 5.100 3.987 3.816 4.092 . 0 0 "[ . 1 . 2]" 1
253 1 18 PHE HB2 1 19 THR MG 3.400 . 4.500 4.043 3.579 4.172 . 0 0 "[ . 1 . 2]" 1
254 1 15 ALA MB 1 18 PHE QR 4.000 . 7.900 4.760 4.640 4.813 . 0 0 "[ . 1 . 2]" 1
255 1 18 PHE HA 1 18 PHE QR 2.800 . 5.600 2.968 2.942 2.994 . 0 0 "[ . 1 . 2]" 1
256 1 18 PHE QR 1 19 THR HA 3.400 . 6.200 3.321 3.136 3.497 . 0 0 "[ . 1 . 2]" 1
257 1 18 PHE QR 1 19 THR MG 2.800 . 6.700 3.035 3.011 3.081 . 0 0 "[ . 1 . 2]" 1
258 1 17 ARG HB3 1 18 PHE H 3.400 . 3.400 3.069 2.783 3.987 0.587 7 1 "[ . + 1 . 2]" 1
259 1 18 PHE H 1 18 PHE HB3 2.800 . 2.800 2.803 2.772 2.824 0.024 2 0 "[ . 1 . 2]" 1
260 1 18 PHE H 1 18 PHE HB2 2.800 . 2.800 2.294 2.213 2.379 . 0 0 "[ . 1 . 2]" 1
261 1 18 PHE H 1 18 PHE QR 4.000 . 6.800 4.061 3.968 4.121 . 0 0 "[ . 1 . 2]" 1
262 1 18 PHE H 1 19 THR MG 4.000 . 5.100 4.037 3.838 4.108 . 0 0 "[ . 1 . 2]" 1
263 1 18 PHE H 1 19 THR H 2.800 . 2.800 2.703 2.616 2.752 . 0 0 "[ . 1 . 2]" 1
264 1 19 THR HA 1 19 THR HB 2.800 . 2.800 2.304 2.249 2.462 . 0 0 "[ . 1 . 2]" 1
265 1 15 ALA MB 1 19 THR H 4.000 . 5.100 4.308 4.279 4.331 . 0 0 "[ . 1 . 2]" 1
266 1 18 PHE HA 1 19 THR H 4.000 . 4.000 3.631 3.600 3.647 . 0 0 "[ . 1 . 2]" 1
267 1 18 PHE HB3 1 19 THR H 3.400 . 3.400 2.269 2.207 2.345 . 0 0 "[ . 1 . 2]" 1
268 1 18 PHE HB2 1 19 THR H 3.400 . 3.400 3.424 3.298 3.450 0.050 15 0 "[ . 1 . 2]" 1
269 1 19 THR H 1 19 THR HB 3.400 . 3.400 3.495 3.462 3.505 0.105 19 0 "[ . 1 . 2]" 1
270 1 19 THR H 1 19 THR MG 2.800 . 3.900 2.071 2.008 2.094 . 0 0 "[ . 1 . 2]" 1
271 1 19 THR HA 1 20 GLY QA 4.800 . 5.700 4.091 3.981 4.302 . 0 0 "[ . 1 . 2]" 1
272 1 20 GLY QA 1 21 GLY QA 4.800 . 6.600 3.918 3.837 4.004 . 0 0 "[ . 1 . 2]" 1
273 1 20 GLY H 1 21 GLY QA 4.000 . 4.900 4.364 4.319 4.431 . 0 0 "[ . 1 . 2]" 1
274 1 20 GLY H 1 21 GLY H 2.800 . 2.800 2.813 2.628 2.855 0.055 6 0 "[ . 1 . 2]" 1
275 1 21 GLY QA 1 25 THR HB 4.000 . 4.900 3.126 2.899 3.810 . 0 0 "[ . 1 . 2]" 1
276 1 21 GLY QA 1 25 THR MG 4.000 . 6.000 2.547 2.358 2.991 . 0 0 "[ . 1 . 2]" 1
277 1 19 THR HA 1 21 GLY H 4.000 . 4.000 4.089 4.069 4.173 0.173 11 0 "[ . 1 . 2]" 1
278 1 19 THR HB 1 21 GLY H 4.000 . 4.000 3.563 3.458 3.852 . 0 0 "[ . 1 . 2]" 1
279 1 19 THR MG 1 21 GLY H 4.000 . 5.100 4.315 4.278 4.345 . 0 0 "[ . 1 . 2]" 1
280 1 20 GLY QA 1 21 GLY H 4.000 . 4.900 2.871 2.800 3.017 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLY H 1 22 SER H 4.000 . 4.000 4.182 3.975 4.264 0.264 10 0 "[ . 1 . 2]" 1
282 1 21 GLY H 1 25 THR MG 4.800 . 5.900 4.700 4.569 4.808 . 0 0 "[ . 1 . 2]" 1
283 1 22 SER HA 1 22 SER HB3 2.800 . 2.800 2.345 2.185 2.403 . 0 0 "[ . 1 . 2]" 1
284 1 22 SER HA 1 22 SER HB2 2.800 . 2.800 2.916 2.523 2.965 0.165 7 0 "[ . 1 . 2]" 1
285 1 22 SER HB2 1 24 PRO HD3 4.000 . 4.000 3.853 2.416 4.047 0.047 11 0 "[ . 1 . 2]" 1
286 1 20 GLY QA 1 22 SER H 4.800 . 5.700 4.954 4.884 5.159 . 0 0 "[ . 1 . 2]" 1
287 1 21 GLY QA 1 22 SER H 3.400 . 4.300 2.143 1.935 2.414 . 0 0 "[ . 1 . 2]" 1
288 1 22 SER H 1 22 SER HA 2.800 . 2.800 2.749 2.698 2.797 . 0 0 "[ . 1 . 2]" 1
289 1 22 SER H 1 22 SER HB3 3.400 . 3.400 3.432 2.646 3.673 0.273 11 0 "[ . 1 . 2]" 1
290 1 22 SER H 1 22 SER HB2 2.800 . 2.800 2.526 2.334 3.444 0.644 1 1 "[+ . 1 . 2]" 1
291 1 22 SER H 1 23 GLN H 4.000 . 4.000 4.194 4.051 4.256 0.256 13 0 "[ . 1 . 2]" 1
292 1 22 SER H 1 25 THR HB 3.400 . 3.400 2.629 2.193 2.745 . 0 0 "[ . 1 . 2]" 1
293 1 22 SER H 1 25 THR MG 3.400 . 4.500 3.538 2.996 3.680 . 0 0 "[ . 1 . 2]" 1
294 1 22 SER H 1 25 THR H 4.000 . 4.000 4.027 3.833 4.083 0.083 15 0 "[ . 1 . 2]" 1
295 1 23 GLN HA 1 23 GLN QG 3.400 . 4.300 2.361 2.235 2.620 . 0 0 "[ . 1 . 2]" 1
296 1 23 GLN QB 1 24 PRO HD3 3.400 . 4.300 2.142 2.101 2.267 . 0 0 "[ . 1 . 2]" 1
297 1 22 SER HA 1 23 GLN H 2.800 . 2.800 2.329 2.125 2.879 0.079 9 0 "[ . 1 . 2]" 1
298 1 22 SER HB3 1 23 GLN H 3.400 . 3.400 2.151 1.914 3.268 . 0 0 "[ . 1 . 2]" 1
299 1 23 GLN H 1 23 GLN QB 3.400 . 4.300 2.567 2.366 2.876 . 0 0 "[ . 1 . 2]" 1
300 1 23 GLN H 1 23 GLN QG 4.000 . 4.900 3.361 2.161 4.364 . 0 0 "[ . 1 . 2]" 1
301 1 23 GLN H 1 24 PRO HD2 3.400 . 3.400 2.449 1.850 2.669 . 0 0 "[ . 1 . 2]" 1
302 1 23 GLN H 1 24 PRO HD3 3.400 . 3.400 2.509 2.199 2.666 . 0 0 "[ . 1 . 2]" 1
303 1 23 GLN H 1 25 THR H 4.000 . 4.000 3.978 3.176 4.079 0.079 7 0 "[ . 1 . 2]" 1
304 1 24 PRO HA 1 24 PRO HB3 2.800 . 2.800 2.444 2.419 2.463 . 0 0 "[ . 1 . 2]" 1
305 1 22 SER HB3 1 24 PRO HD2 2.800 . 2.800 2.352 2.084 3.456 0.656 1 1 "[+ . 1 . 2]" 1
306 1 22 SER HB2 1 24 PRO HD2 3.400 . 3.400 2.337 2.039 2.542 . 0 0 "[ . 1 . 2]" 1
307 1 22 SER HB3 1 24 PRO HD3 3.400 . 3.400 3.257 2.799 4.093 0.693 1 1 "[+ . 1 . 2]" 1
308 1 23 GLN QG 1 24 PRO HD3 4.000 . 4.900 3.808 3.332 4.128 . 0 0 "[ . 1 . 2]" 1
309 1 25 THR HA 1 25 THR HB 2.800 . 2.800 2.925 2.918 2.935 0.135 19 0 "[ . 1 . 2]" 1
310 1 25 THR HA 1 28 ILE HB 2.800 . 2.800 2.434 2.346 2.513 . 0 0 "[ . 1 . 2]" 1
311 1 25 THR HA 1 28 ILE MD 3.400 . 4.500 2.386 2.226 3.818 . 0 0 "[ . 1 . 2]" 1
312 1 25 THR HA 1 28 ILE QG 4.000 . 4.900 3.736 2.152 4.032 . 0 0 "[ . 1 . 2]" 1
313 1 25 THR HA 1 28 ILE MG 3.400 . 4.500 3.771 3.761 3.802 . 0 0 "[ . 1 . 2]" 1
314 1 22 SER HA 1 25 THR H 4.800 . 4.800 4.785 4.632 4.898 0.098 9 0 "[ . 1 . 2]" 1
315 1 22 SER HB3 1 25 THR H 4.000 . 4.000 3.919 3.451 4.580 0.580 1 1 "[+ . 1 . 2]" 1
316 1 22 SER HB2 1 25 THR H 4.800 . 4.800 2.705 2.082 3.697 . 0 0 "[ . 1 . 2]" 1
317 1 24 PRO HA 1 25 THR H 3.400 . 3.400 3.478 3.459 3.493 0.093 15 0 "[ . 1 . 2]" 1
318 1 24 PRO HB2 1 25 THR H 2.800 . 2.800 2.156 2.115 2.204 . 0 0 "[ . 1 . 2]" 1
319 1 24 PRO HB3 1 25 THR H 3.400 . 3.400 3.533 3.509 3.559 0.159 1 0 "[ . 1 . 2]" 1
320 1 24 PRO HD3 1 25 THR H 4.000 . 4.000 3.952 3.715 4.029 0.029 9 0 "[ . 1 . 2]" 1
321 1 24 PRO QG 1 25 THR H 4.000 . 4.900 3.718 3.622 3.812 . 0 0 "[ . 1 . 2]" 1
322 1 25 THR H 1 25 THR HB 2.300 . 2.300 2.356 2.342 2.365 0.065 18 0 "[ . 1 . 2]" 1
323 1 25 THR H 1 26 CYS H 2.800 . 2.800 2.774 2.723 2.808 0.008 11 0 "[ . 1 . 2]" 1
324 1 25 THR H 1 28 ILE MD 4.800 . 5.900 3.672 3.473 4.831 . 0 0 "[ . 1 . 2]" 1
325 1 25 THR MG 1 26 CYS HA 4.000 . 5.100 3.362 3.158 3.474 . 0 0 "[ . 1 . 2]" 1
326 1 26 CYS HA 1 29 LEU QB 3.400 . 4.300 3.373 3.223 3.558 . 0 0 "[ . 1 . 2]" 1
327 1 26 CYS HA 1 29 LEU QD 4.000 . 6.400 3.712 2.747 4.032 . 0 0 "[ . 1 . 2]" 1
328 1 26 CYS HA 1 29 LEU HG 4.800 . 4.800 4.300 3.354 4.562 . 0 0 "[ . 1 . 2]" 1
329 1 25 THR HA 1 26 CYS H 3.400 . 3.400 3.483 3.470 3.503 0.103 18 0 "[ . 1 . 2]" 1
330 1 25 THR HB 1 26 CYS H 2.800 . 2.800 2.812 2.720 2.828 0.028 2 0 "[ . 1 . 2]" 1
331 1 25 THR MG 1 26 CYS H 3.400 . 4.500 3.328 3.199 3.405 . 0 0 "[ . 1 . 2]" 1
332 1 27 GLY QA 1 30 CYS QB 3.400 . 5.200 3.507 3.468 3.579 . 0 0 "[ . 1 . 2]" 1
333 1 27 GLY QA 1 32 CYS QB 3.400 . 5.200 1.978 1.929 2.000 . 0 0 "[ . 1 . 2]" 1
334 1 13 TYR QR 1 27 GLY H 3.400 . 5.900 2.867 2.748 3.001 . 0 0 "[ . 1 . 2]" 1
335 1 23 GLN HA 1 27 GLY H 4.000 . 4.000 3.996 3.860 4.028 0.028 15 0 "[ . 1 . 2]" 1
336 1 24 PRO HA 1 27 GLY H 3.400 . 3.400 3.469 3.446 3.489 0.089 18 0 "[ . 1 . 2]" 1
337 1 26 CYS HA 1 27 GLY H 3.400 . 3.400 3.521 3.508 3.535 0.135 18 0 "[ . 1 . 2]" 1
338 1 26 CYS QB 1 27 GLY H 3.400 . 4.300 2.351 2.242 2.460 . 0 0 "[ . 1 . 2]" 1
339 1 27 GLY H 1 28 ILE H 3.400 . 3.400 2.787 2.653 2.889 . 0 0 "[ . 1 . 2]" 1
340 1 27 GLY H 1 32 CYS QB 4.000 . 4.900 4.067 4.017 4.231 . 0 0 "[ . 1 . 2]" 1
341 1 28 ILE HA 1 28 ILE MD 3.400 . 4.500 3.735 2.154 3.871 . 0 0 "[ . 1 . 2]" 1
342 1 28 ILE HA 1 28 ILE MG 2.800 . 3.900 2.499 2.369 2.675 . 0 0 "[ . 1 . 2]" 1
343 1 28 ILE HB 1 28 ILE MD 2.800 . 3.900 2.346 2.270 3.179 . 0 0 "[ . 1 . 2]" 1
344 1 28 ILE MG 1 29 LEU HA 2.800 . 3.900 2.661 2.490 2.837 . 0 0 "[ . 1 . 2]" 1
345 1 24 PRO HA 1 28 ILE H 4.000 . 4.000 4.067 4.051 4.097 0.097 5 0 "[ . 1 . 2]" 1
346 1 25 THR HA 1 28 ILE H 3.400 . 3.400 3.311 3.040 3.406 0.006 13 0 "[ . 1 . 2]" 1
347 1 25 THR MG 1 28 ILE H 4.800 . 5.900 4.504 4.310 4.652 . 0 0 "[ . 1 . 2]" 1
348 1 26 CYS HA 1 28 ILE H 4.800 . 4.800 3.988 3.888 4.382 . 0 0 "[ . 1 . 2]" 1
349 1 27 GLY QA 1 28 ILE H 3.400 . 4.300 2.938 2.867 2.957 . 0 0 "[ . 1 . 2]" 1
350 1 28 ILE H 1 28 ILE HB 2.800 . 2.800 2.393 2.317 2.641 . 0 0 "[ . 1 . 2]" 1
351 1 28 ILE H 1 28 ILE MD 3.400 . 4.500 3.271 2.199 3.401 . 0 0 "[ . 1 . 2]" 1
352 1 28 ILE H 1 28 ILE QG 2.800 . 3.700 2.655 2.536 3.403 . 0 0 "[ . 1 . 2]" 1
353 1 28 ILE H 1 28 ILE MG 3.400 . 4.500 3.746 3.700 3.817 . 0 0 "[ . 1 . 2]" 1
354 1 28 ILE H 1 29 LEU H 2.800 . 2.800 2.519 2.420 2.702 . 0 0 "[ . 1 . 2]" 1
355 1 28 ILE H 1 32 CYS H 4.800 . 4.800 4.329 4.208 4.691 . 0 0 "[ . 1 . 2]" 1
356 1 28 ILE HB 1 29 LEU HA 4.000 . 4.000 4.079 4.012 4.119 0.119 19 0 "[ . 1 . 2]" 1
357 1 29 LEU HA 1 29 LEU QD 2.800 . 5.200 2.291 2.106 3.037 . 0 0 "[ . 1 . 2]" 1
358 1 29 LEU HA 1 29 LEU HG 3.400 . 3.400 3.113 2.949 3.519 0.119 13 0 "[ . 1 . 2]" 1
359 1 25 THR HA 1 29 LEU H 4.000 . 4.000 3.564 3.506 3.666 . 0 0 "[ . 1 . 2]" 1
360 1 25 THR MG 1 29 LEU H 4.000 . 5.100 3.631 3.480 3.724 . 0 0 "[ . 1 . 2]" 1
361 1 26 CYS HA 1 29 LEU H 3.400 . 3.400 3.532 3.478 3.554 0.154 4 0 "[ . 1 . 2]" 1
362 1 27 GLY H 1 29 LEU H 4.800 . 4.800 4.591 4.403 4.755 . 0 0 "[ . 1 . 2]" 1
363 1 28 ILE HA 1 29 LEU H 3.400 . 3.400 3.503 3.465 3.514 0.114 15 0 "[ . 1 . 2]" 1
364 1 28 ILE HB 1 29 LEU H 2.800 . 2.800 2.308 2.214 2.525 . 0 0 "[ . 1 . 2]" 1
365 1 28 ILE MD 1 29 LEU H 4.000 . 5.100 4.189 4.169 4.271 . 0 0 "[ . 1 . 2]" 1
366 1 28 ILE MG 1 29 LEU H 3.400 . 4.500 2.930 2.821 3.027 . 0 0 "[ . 1 . 2]" 1
367 1 29 LEU H 1 29 LEU QD 3.400 . 5.800 3.304 3.158 3.560 . 0 0 "[ . 1 . 2]" 1
368 1 29 LEU H 1 29 LEU HG 3.400 . 3.400 2.626 2.293 3.460 0.060 18 0 "[ . 1 . 2]" 1
369 1 29 LEU H 1 30 CYS H 2.800 . 2.800 2.372 2.329 2.474 . 0 0 "[ . 1 . 2]" 1
370 1 25 THR MG 1 30 CYS H 4.800 . 5.900 4.874 4.857 4.895 . 0 0 "[ . 1 . 2]" 1
371 1 26 CYS HA 1 30 CYS H 3.400 . 3.400 3.282 3.172 3.349 . 0 0 "[ . 1 . 2]" 1
372 1 29 LEU HA 1 30 CYS H 3.400 . 3.400 3.430 3.420 3.444 0.044 9 0 "[ . 1 . 2]" 1
373 1 29 LEU QB 1 30 CYS H 2.800 . 3.700 2.587 2.351 3.246 . 0 0 "[ . 1 . 2]" 1
374 1 29 LEU QD 1 30 CYS H 3.400 . 5.800 3.876 3.353 4.017 . 0 0 "[ . 1 . 2]" 1
375 1 29 LEU HG 1 30 CYS H 4.000 . 4.000 3.761 2.393 4.094 0.094 19 0 "[ . 1 . 2]" 1
376 1 30 CYS H 1 31 ASP H 2.800 . 2.800 2.580 2.528 2.649 . 0 0 "[ . 1 . 2]" 1
377 1 30 CYS H 1 32 CYS H 4.000 . 4.000 4.086 4.055 4.104 0.104 3 0 "[ . 1 . 2]" 1
378 1 27 GLY QA 1 31 ASP H 4.000 . 4.900 4.001 3.844 4.274 . 0 0 "[ . 1 . 2]" 1
379 1 28 ILE HA 1 31 ASP H 3.400 . 3.400 3.326 3.224 3.408 0.008 13 0 "[ . 1 . 2]" 1
380 1 28 ILE MG 1 31 ASP H 4.000 . 5.100 4.229 4.197 4.257 . 0 0 "[ . 1 . 2]" 1
381 1 29 LEU HA 1 31 ASP H 4.000 . 4.000 3.845 3.695 3.956 . 0 0 "[ . 1 . 2]" 1
382 1 30 CYS HA 1 31 ASP H 3.400 . 3.400 3.415 3.381 3.430 0.030 12 0 "[ . 1 . 2]" 1
383 1 30 CYS QB 1 31 ASP H 4.000 . 4.900 3.475 3.380 3.546 . 0 0 "[ . 1 . 2]" 1
384 1 31 ASP H 1 32 CYS H 2.800 . 2.800 2.804 2.765 2.818 0.018 20 0 "[ . 1 . 2]" 1
385 1 4 CYS HA 1 32 CYS HA 2.800 . 2.800 2.299 2.074 2.373 . 0 0 "[ . 1 . 2]" 1
386 1 27 GLY QA 1 32 CYS HA 4.000 . 4.900 3.861 3.767 4.152 . 0 0 "[ . 1 . 2]" 1
387 1 32 CYS HA 1 33 ILE QG 4.800 . 5.700 3.512 3.330 4.865 . 0 0 "[ . 1 . 2]" 1
388 1 32 CYS HA 1 33 ILE MG 4.000 . 5.100 3.348 3.115 3.772 . 0 0 "[ . 1 . 2]" 1
389 1 4 CYS HA 1 32 CYS H 4.800 . 4.800 4.820 4.787 4.843 0.043 10 0 "[ . 1 . 2]" 1
390 1 9 ALA MB 1 32 CYS H 4.800 . 5.900 4.696 4.550 4.734 . 0 0 "[ . 1 . 2]" 1
391 1 13 TYR QR 1 32 CYS H 4.000 . 6.500 4.023 3.913 4.141 . 0 0 "[ . 1 . 2]" 1
392 1 27 GLY QA 1 32 CYS H 3.400 . 4.300 2.037 1.888 2.496 . 0 0 "[ . 1 . 2]" 1
393 1 28 ILE HA 1 32 CYS H 4.000 . 4.000 4.129 4.106 4.155 0.155 16 0 "[ . 1 . 2]" 1
394 1 30 CYS QB 1 32 CYS H 4.800 . 5.700 3.336 3.133 3.546 . 0 0 "[ . 1 . 2]" 1
395 1 31 ASP HA 1 32 CYS H 2.800 . 2.800 2.693 2.606 2.818 0.018 8 0 "[ . 1 . 2]" 1
396 1 31 ASP QB 1 32 CYS H 4.000 . 4.900 3.919 3.830 3.941 . 0 0 "[ . 1 . 2]" 1
397 1 33 ILE HA 1 33 ILE MG 3.400 . 4.500 2.275 2.242 2.307 . 0 0 "[ . 1 . 2]" 1
398 1 33 ILE HB 1 33 ILE MD 2.800 . 3.900 2.402 2.338 3.239 . 0 0 "[ . 1 . 2]" 1
399 1 33 ILE HB 1 35 VAL MG1 4.000 . 5.100 3.905 3.552 4.145 . 0 0 "[ . 1 . 2]" 1
400 1 33 ILE MD 1 41 PRO HB2 4.800 . 5.900 4.398 4.029 4.680 . 0 0 "[ . 1 . 2]" 1
401 1 2 SER HA 1 33 ILE H 4.000 . 4.000 4.069 4.035 4.093 0.093 9 0 "[ . 1 . 2]" 1
402 1 3 CYS QB 1 33 ILE H 4.000 . 4.900 3.995 3.728 4.320 . 0 0 "[ . 1 . 2]" 1
403 1 4 CYS HA 1 33 ILE H 4.000 . 4.000 3.799 3.672 3.904 . 0 0 "[ . 1 . 2]" 1
404 1 32 CYS HA 1 33 ILE H 2.800 . 2.800 2.509 2.273 2.689 . 0 0 "[ . 1 . 2]" 1
405 1 32 CYS QB 1 33 ILE H 4.000 . 4.900 2.558 2.283 2.821 . 0 0 "[ . 1 . 2]" 1
406 1 32 CYS H 1 33 ILE H 4.800 . 4.800 4.679 4.619 4.745 . 0 0 "[ . 1 . 2]" 1
407 1 33 ILE H 1 33 ILE HB 4.000 . 4.000 3.764 3.676 3.938 . 0 0 "[ . 1 . 2]" 1
408 1 33 ILE H 1 33 ILE MD 3.400 . 4.500 3.763 2.200 3.887 . 0 0 "[ . 1 . 2]" 1
409 1 33 ILE H 1 33 ILE MG 3.400 . 4.500 3.044 2.815 3.222 . 0 0 "[ . 1 . 2]" 1
410 1 33 ILE H 1 34 HIS HA 4.800 . 4.800 4.670 4.559 4.786 . 0 0 "[ . 1 . 2]" 1
411 1 33 ILE H 1 44 HIS HD2 4.000 . 4.000 3.979 3.553 4.048 0.048 9 0 "[ . 1 . 2]" 1
412 1 2 SER HA 1 34 HIS HA 2.800 . 2.800 2.154 2.056 2.278 . 0 0 "[ . 1 . 2]" 1
413 1 33 ILE HB 1 34 HIS HA 4.800 . 4.800 4.385 4.269 4.822 0.022 14 0 "[ . 1 . 2]" 1
414 1 33 ILE QG 1 34 HIS HA 4.800 . 5.700 3.721 3.527 4.847 . 0 0 "[ . 1 . 2]" 1
415 1 34 HIS HA 1 35 VAL MG1 4.000 . 5.100 4.096 4.045 4.148 . 0 0 "[ . 1 . 2]" 1
416 1 34 HIS HA 1 35 VAL MG2 4.000 . 5.100 3.944 3.653 4.033 . 0 0 "[ . 1 . 2]" 1
417 1 33 ILE HA 1 34 HIS QB 4.000 . 4.900 4.114 3.845 4.211 . 0 0 "[ . 1 . 2]" 1
418 1 34 HIS QB 1 35 VAL HA 4.800 . 5.700 4.780 4.714 4.851 . 0 0 "[ . 1 . 2]" 1
419 1 34 HIS HD2 1 35 VAL HA 4.000 . 6.200 4.453 3.674 5.395 . 0 0 "[ . 1 . 2]" 1
420 1 34 HIS HD2 1 35 VAL H 4.000 . 6.200 4.049 3.712 4.509 . 0 0 "[ . 1 . 2]" 1
421 1 34 HIS HD2 1 36 THR MG 3.400 . 6.700 2.695 2.394 2.950 . 0 0 "[ . 1 . 2]" 1
422 1 33 ILE HA 1 34 HIS H 2.800 . 2.800 2.715 2.238 2.824 0.024 3 0 "[ . 1 . 2]" 1
423 1 33 ILE HB 1 34 HIS H 2.800 . 2.800 1.953 1.870 2.544 . 0 0 "[ . 1 . 2]" 1
424 1 33 ILE QG 1 34 HIS H 4.000 . 4.900 3.157 2.906 3.745 . 0 0 "[ . 1 . 2]" 1
425 1 33 ILE MG 1 34 HIS H 3.400 . 4.500 3.510 3.434 3.738 . 0 0 "[ . 1 . 2]" 1
426 1 35 VAL HA 1 35 VAL HB 2.800 . 2.800 2.308 2.276 2.441 . 0 0 "[ . 1 . 2]" 1
427 1 35 VAL HA 1 35 VAL MG1 2.800 . 3.900 2.278 2.256 2.330 . 0 0 "[ . 1 . 2]" 1
428 1 35 VAL HA 1 35 VAL MG2 2.800 . 3.900 3.274 3.243 3.291 . 0 0 "[ . 1 . 2]" 1
429 1 35 VAL HB 1 37 THR MG 3.400 . 4.500 3.002 2.022 3.847 . 0 0 "[ . 1 . 2]" 1
430 1 33 ILE MD 1 35 VAL MG1 2.800 . 5.000 2.133 2.011 2.398 . 0 0 "[ . 1 . 2]" 1
431 1 35 VAL MG1 1 37 THR HA 4.000 . 5.100 4.320 4.177 4.375 . 0 0 "[ . 1 . 2]" 1
432 1 35 VAL MG1 1 40 CYS HA 3.400 . 4.500 3.603 3.569 3.676 . 0 0 "[ . 1 . 2]" 1
433 1 1 LYS QD 1 35 VAL MG2 3.400 . 5.400 2.468 2.028 3.627 . 0 0 "[ . 1 . 2]" 1
434 1 3 CYS HA 1 35 VAL MG2 4.800 . 5.900 4.828 4.804 4.871 . 0 0 "[ . 1 . 2]" 1
435 1 35 VAL MG2 1 37 THR HA 4.000 . 5.100 4.180 3.287 4.280 . 0 0 "[ . 1 . 2]" 1
436 1 35 VAL MG2 1 37 THR HB 4.000 . 5.100 2.904 2.257 3.723 . 0 0 "[ . 1 . 2]" 1
437 1 35 VAL MG2 1 40 CYS HA 3.400 . 4.500 2.853 2.587 3.081 . 0 0 "[ . 1 . 2]" 1
438 1 1 LYS HA 1 35 VAL H 4.800 . 4.800 4.852 4.830 4.895 0.095 8 0 "[ . 1 . 2]" 1
439 1 1 LYS QD 1 35 VAL H 4.800 . 5.700 4.044 3.342 5.141 . 0 0 "[ . 1 . 2]" 1
440 1 2 SER HA 1 35 VAL H 3.400 . 3.400 2.959 2.740 3.409 0.009 20 0 "[ . 1 . 2]" 1
441 1 34 HIS HA 1 35 VAL H 2.300 . 2.300 2.099 2.023 2.174 . 0 0 "[ . 1 . 2]" 1
442 1 34 HIS QB 1 35 VAL H 4.000 . 4.900 3.881 3.823 3.931 . 0 0 "[ . 1 . 2]" 1
443 1 34 HIS H 1 35 VAL H 4.000 . 4.000 4.025 4.012 4.110 0.110 14 0 "[ . 1 . 2]" 1
444 1 35 VAL H 1 35 VAL HB 4.000 . 4.000 3.753 3.719 3.798 . 0 0 "[ . 1 . 2]" 1
445 1 35 VAL H 1 35 VAL MG1 3.400 . 4.500 2.984 2.898 3.057 . 0 0 "[ . 1 . 2]" 1
446 1 35 VAL H 1 35 VAL MG2 2.800 . 3.900 2.290 2.031 2.412 . 0 0 "[ . 1 . 2]" 1
447 1 35 VAL H 1 36 THR MG 4.800 . 5.900 4.768 4.732 4.809 . 0 0 "[ . 1 . 2]" 1
448 1 35 VAL H 1 37 THR H 4.800 . 4.800 4.641 4.451 4.854 0.054 20 0 "[ . 1 . 2]" 1
449 1 35 VAL HA 1 36 THR H 2.300 . 2.300 2.058 1.997 2.180 . 0 0 "[ . 1 . 2]" 1
450 1 35 VAL HB 1 36 THR H 2.800 . 2.800 2.612 2.569 2.734 . 0 0 "[ . 1 . 2]" 1
451 1 35 VAL MG1 1 36 THR H 3.400 . 4.500 3.572 3.517 3.688 . 0 0 "[ . 1 . 2]" 1
452 1 35 VAL MG2 1 36 THR H 3.400 . 4.500 3.753 3.731 3.772 . 0 0 "[ . 1 . 2]" 1
453 1 36 THR H 1 37 THR H 2.800 . 2.800 2.611 2.036 2.747 . 0 0 "[ . 1 . 2]" 1
454 1 35 VAL MG1 1 37 THR HB 4.000 . 5.100 3.449 2.793 4.237 . 0 0 "[ . 1 . 2]" 1
455 1 37 THR HA 1 37 THR HB 2.800 . 2.800 2.643 2.150 2.862 0.062 8 0 "[ . 1 . 2]" 1
456 1 35 VAL HA 1 37 THR H 3.400 . 3.400 3.462 3.433 3.488 0.088 13 0 "[ . 1 . 2]" 1
457 1 35 VAL HB 1 37 THR H 2.800 . 2.800 1.814 1.755 2.079 . 0 0 "[ . 1 . 2]" 1
458 1 35 VAL MG1 1 37 THR H 3.400 . 4.500 3.477 3.333 3.795 . 0 0 "[ . 1 . 2]" 1
459 1 35 VAL MG2 1 37 THR H 2.800 . 3.900 2.259 2.077 2.991 . 0 0 "[ . 1 . 2]" 1
460 1 36 THR MG 1 37 THR H 4.000 . 5.100 4.244 4.103 4.273 . 0 0 "[ . 1 . 2]" 1
461 1 37 THR H 1 37 THR HB 3.400 . 3.400 3.028 2.570 3.559 0.159 18 0 "[ . 1 . 2]" 1
462 1 37 THR H 1 38 THR H 4.000 . 4.000 4.154 4.026 4.188 0.188 9 0 "[ . 1 . 2]" 1
463 1 38 THR HA 1 38 THR HB 2.800 . 2.800 2.768 2.486 2.938 0.138 14 0 "[ . 1 . 2]" 1
464 1 37 THR HA 1 38 THR H 2.300 . 2.300 2.341 1.978 2.400 0.100 2 0 "[ . 1 . 2]" 1
465 1 37 THR HB 1 38 THR H 2.800 . 2.800 2.457 1.810 2.894 0.094 4 0 "[ . 1 . 2]" 1
466 1 38 THR H 1 38 THR HB 3.400 . 3.400 2.927 2.489 3.517 0.117 4 0 "[ . 1 . 2]" 1
467 1 38 THR H 1 39 THR H 2.800 . 2.800 2.543 1.594 2.794 . 0 0 "[ . 1 . 2]" 1
468 1 39 THR HA 1 39 THR HB 2.800 . 2.800 2.871 2.381 2.909 0.109 6 0 "[ . 1 . 2]" 1
469 1 35 VAL MG2 1 39 THR H 4.000 . 5.100 4.148 4.087 4.221 . 0 0 "[ . 1 . 2]" 1
470 1 37 THR HB 1 39 THR H 2.800 . 2.800 2.463 1.943 2.849 0.049 4 0 "[ . 1 . 2]" 1
471 1 37 THR MG 1 39 THR H 3.400 . 4.500 2.772 1.922 3.942 . 0 0 "[ . 1 . 2]" 1
472 1 38 THR HB 1 39 THR H 3.400 . 3.400 2.916 2.439 3.537 0.137 19 0 "[ . 1 . 2]" 1
473 1 39 THR H 1 39 THR HB 2.800 . 2.800 2.887 2.851 2.937 0.137 2 0 "[ . 1 . 2]" 1
474 1 39 THR H 1 39 THR MG 3.400 . 4.500 3.824 2.076 3.949 . 0 0 "[ . 1 . 2]" 1
475 1 39 THR H 1 40 CYS H 4.000 . 4.000 4.031 3.881 4.062 0.062 5 0 "[ . 1 . 2]" 1
476 1 40 CYS HA 1 41 PRO HD2 2.800 . 2.800 2.157 2.119 2.223 . 0 0 "[ . 1 . 2]" 1
477 1 40 CYS HA 1 41 PRO HD3 2.800 . 2.800 2.235 2.164 2.369 . 0 0 "[ . 1 . 2]" 1
478 1 3 CYS QB 1 40 CYS QB 4.000 . 5.800 2.716 2.320 3.706 . 0 0 "[ . 1 . 2]" 1
479 1 40 CYS QB 1 45 PRO HA 2.800 . 3.700 3.095 2.498 3.350 . 0 0 "[ . 1 . 2]" 1
480 1 1 LYS QZ 1 40 CYS H 4.000 . 4.900 2.309 1.842 3.561 . 0 0 "[ . 1 . 2]" 1
481 1 39 THR HA 1 40 CYS H 2.300 . 2.300 2.365 2.338 2.453 0.153 18 0 "[ . 1 . 2]" 1
482 1 39 THR HB 1 40 CYS H 2.800 . 2.800 2.883 2.846 3.045 0.245 18 0 "[ . 1 . 2]" 1
483 1 40 CYS H 1 41 PRO HD2 4.800 . 4.800 4.845 4.820 4.863 0.063 7 0 "[ . 1 . 2]" 1
484 1 40 CYS H 1 41 PRO HD3 4.800 . 4.800 4.605 4.394 4.808 0.008 20 0 "[ . 1 . 2]" 1
485 1 3 CYS QB 1 41 PRO HD2 4.000 . 4.900 2.361 2.220 2.563 . 0 0 "[ . 1 . 2]" 1
486 1 33 ILE MD 1 41 PRO HD2 4.000 . 5.100 3.082 2.902 3.230 . 0 0 "[ . 1 . 2]" 1
487 1 35 VAL MG1 1 41 PRO HD2 3.400 . 4.500 3.043 2.952 3.184 . 0 0 "[ . 1 . 2]" 1
488 1 35 VAL MG2 1 41 PRO HD2 3.400 . 4.500 3.481 3.375 3.568 . 0 0 "[ . 1 . 2]" 1
489 1 40 CYS QB 1 41 PRO HD2 4.000 . 4.900 3.088 2.620 3.439 . 0 0 "[ . 1 . 2]" 1
490 1 41 PRO HD2 1 44 HIS QB 4.000 . 4.900 2.683 2.424 2.868 . 0 0 "[ . 1 . 2]" 1
491 1 33 ILE MD 1 41 PRO HD3 4.000 . 5.100 3.636 3.425 3.836 . 0 0 "[ . 1 . 2]" 1
492 1 35 VAL MG1 1 41 PRO HD3 2.800 . 3.900 2.137 2.063 2.216 . 0 0 "[ . 1 . 2]" 1
493 1 35 VAL MG2 1 41 PRO HD3 3.400 . 4.500 2.684 2.513 2.850 . 0 0 "[ . 1 . 2]" 1
494 1 40 CYS QB 1 41 PRO HD3 4.000 . 4.900 4.059 3.788 4.259 . 0 0 "[ . 1 . 2]" 1
495 1 41 PRO HD3 1 44 HIS QB 4.000 . 4.900 4.087 3.883 4.170 . 0 0 "[ . 1 . 2]" 1
496 1 3 CYS QB 1 41 PRO HG3 4.000 . 4.900 4.130 3.909 4.331 . 0 0 "[ . 1 . 2]" 1
497 1 33 ILE MD 1 41 PRO HG3 3.400 . 4.500 2.468 2.264 2.712 . 0 0 "[ . 1 . 2]" 1
498 1 35 VAL MG1 1 41 PRO HG3 3.400 . 4.500 2.416 2.348 2.479 . 0 0 "[ . 1 . 2]" 1
499 1 33 ILE MD 1 41 PRO HG2 3.400 . 4.500 2.747 2.346 2.852 . 0 0 "[ . 1 . 2]" 1
500 1 33 ILE QG 1 41 PRO HG2 4.000 . 4.900 4.419 4.018 4.546 . 0 0 "[ . 1 . 2]" 1
501 1 35 VAL MG1 1 41 PRO HG2 3.400 . 4.500 3.663 3.384 3.747 . 0 0 "[ . 1 . 2]" 1
502 1 35 VAL MG2 1 41 PRO HG2 4.000 . 5.100 5.019 4.819 5.094 . 0 0 "[ . 1 . 2]" 1
503 1 41 PRO HA 1 42 SER H 2.300 . 2.300 2.316 2.305 2.328 0.028 16 0 "[ . 1 . 2]" 1
504 1 41 PRO HB2 1 42 SER H 3.400 . 3.400 2.442 2.296 2.733 . 0 0 "[ . 1 . 2]" 1
505 1 42 SER H 1 43 SER H 4.000 . 4.000 2.662 2.595 2.715 . 0 0 "[ . 1 . 2]" 1
506 1 43 SER HA 1 43 SER QB 2.800 . 2.800 2.305 2.191 2.373 . 0 0 "[ . 1 . 2]" 1
507 1 43 SER HA 1 45 PRO QD 4.000 . 4.900 4.315 4.253 4.371 . 0 0 "[ . 1 . 2]" 1
508 1 41 PRO HA 1 43 SER H 4.000 . 4.000 4.053 4.015 4.081 0.081 4 0 "[ . 1 . 2]" 1
509 1 41 PRO HB2 1 43 SER H 2.800 . 2.800 2.080 1.690 2.174 . 0 0 "[ . 1 . 2]" 1
510 1 41 PRO HB3 1 43 SER H 4.000 . 4.000 3.778 2.883 3.927 . 0 0 "[ . 1 . 2]" 1
511 1 41 PRO HG3 1 43 SER H 4.000 . 4.000 4.082 4.061 4.169 0.169 17 0 "[ . 1 . 2]" 1
512 1 41 PRO HG2 1 43 SER H 4.000 . 4.000 3.009 2.882 3.543 . 0 0 "[ . 1 . 2]" 1
513 1 42 SER QB 1 43 SER H 3.400 . 4.300 2.713 2.554 2.790 . 0 0 "[ . 1 . 2]" 1
514 1 43 SER H 1 43 SER QB . . 2.800 2.297 2.199 2.484 . 0 0 "[ . 1 . 2]" 1
515 1 43 SER H 1 44 HIS H 2.800 . 2.800 2.332 2.185 2.483 . 0 0 "[ . 1 . 2]" 1
516 1 44 HIS HA 1 45 PRO QD 2.800 . 3.700 2.164 2.081 2.231 . 0 0 "[ . 1 . 2]" 1
517 1 3 CYS QB 1 44 HIS QB 3.400 . 5.200 2.459 2.172 2.756 . 0 0 "[ . 1 . 2]" 1
518 1 4 CYS HA 1 44 HIS QB 4.000 . 4.900 3.286 3.134 3.503 . 0 0 "[ . 1 . 2]" 1
519 1 5 ARG HA 1 44 HIS QB 4.000 . 4.900 3.426 3.127 3.658 . 0 0 "[ . 1 . 2]" 1
520 1 32 CYS HA 1 44 HIS QB 4.000 . 4.900 4.114 3.981 4.224 . 0 0 "[ . 1 . 2]" 1
521 1 33 ILE MD 1 44 HIS QB 3.400 . 5.400 2.198 1.962 2.449 . 0 0 "[ . 1 . 2]" 1
522 1 33 ILE QG 1 44 HIS QB 4.000 . 5.800 2.714 2.566 3.570 . 0 0 "[ . 1 . 2]" 1
523 1 35 VAL MG1 1 44 HIS QB 4.800 . 6.800 3.947 3.847 4.098 . 0 0 "[ . 1 . 2]" 1
524 1 41 PRO HG3 1 44 HIS QB 3.400 . 4.300 3.360 3.189 3.572 . 0 0 "[ . 1 . 2]" 1
525 1 44 HIS QB 1 45 PRO QD 4.800 . 6.600 3.797 3.725 3.850 . 0 0 "[ . 1 . 2]" 1
526 1 4 CYS HA 1 44 HIS HD2 2.800 . 2.800 2.662 2.448 2.855 0.055 17 0 "[ . 1 . 2]" 1
527 1 5 ARG HA 1 44 HIS HD2 3.400 . 3.400 3.284 2.717 3.480 0.080 14 0 "[ . 1 . 2]" 1
528 1 5 ARG QD 1 44 HIS HD2 4.000 . 4.900 3.485 2.168 4.229 . 0 0 "[ . 1 . 2]" 1
529 1 5 ARG QG 1 44 HIS HD2 4.000 . 4.900 3.781 3.271 4.495 . 0 0 "[ . 1 . 2]" 1
530 1 31 ASP QB 1 44 HIS HD2 4.000 . 4.900 4.321 4.033 4.510 . 0 0 "[ . 1 . 2]" 1
531 1 32 CYS HA 1 44 HIS HD2 2.800 . 2.800 2.610 2.339 2.818 0.018 17 0 "[ . 1 . 2]" 1
532 1 33 ILE MD 1 44 HIS HD2 4.000 . 5.100 4.129 2.898 4.223 . 0 0 "[ . 1 . 2]" 1
533 1 33 ILE QG 1 44 HIS HD2 4.000 . 4.900 3.319 3.131 4.275 . 0 0 "[ . 1 . 2]" 1
534 1 33 ILE MG 1 44 HIS HD2 3.400 . 4.500 3.385 3.236 3.452 . 0 0 "[ . 1 . 2]" 1
535 1 44 HIS HA 1 44 HIS HD2 3.400 . 3.400 3.323 3.106 3.424 0.024 8 0 "[ . 1 . 2]" 1
536 1 44 HIS QB 1 44 HIS HD2 2.800 . 3.700 2.645 2.590 2.692 . 0 0 "[ . 1 . 2]" 1
537 1 33 ILE MD 1 44 HIS HE1 3.400 . 4.500 3.323 3.056 3.687 . 0 0 "[ . 1 . 2]" 1
538 1 33 ILE MG 1 44 HIS HE1 3.400 . 4.500 2.759 2.602 2.965 . 0 0 "[ . 1 . 2]" 1
539 1 43 SER QB 1 44 HIS HE1 3.400 . 3.400 3.134 2.445 3.354 . 0 0 "[ . 1 . 2]" 1
540 1 33 ILE MD 1 44 HIS H 4.000 . 5.100 4.124 4.088 4.147 . 0 0 "[ . 1 . 2]" 1
541 1 41 PRO HB2 1 44 HIS H 4.000 . 4.000 3.231 2.132 3.429 . 0 0 "[ . 1 . 2]" 1
542 1 41 PRO HD2 1 44 HIS H 4.000 . 4.000 3.872 3.730 3.947 . 0 0 "[ . 1 . 2]" 1
543 1 41 PRO HG2 1 44 HIS H 4.000 . 4.000 2.219 2.127 2.483 . 0 0 "[ . 1 . 2]" 1
544 1 42 SER QB 1 44 HIS H 4.000 . 4.900 4.464 4.448 4.479 . 0 0 "[ . 1 . 2]" 1
545 1 42 SER H 1 44 HIS H 4.000 . 4.000 4.031 4.009 4.044 0.044 13 0 "[ . 1 . 2]" 1
546 1 43 SER HA 1 44 HIS H 3.400 . 3.400 3.429 3.413 3.445 0.045 17 0 "[ . 1 . 2]" 1
547 1 43 SER QB 1 44 HIS H 4.000 . 4.000 2.981 2.712 3.559 . 0 0 "[ . 1 . 2]" 1
548 1 44 HIS H 1 45 PRO QD 3.400 . 4.300 3.207 3.041 3.439 . 0 0 "[ . 1 . 2]" 1
549 1 6 ASN HA 1 45 PRO QD 4.000 . 4.900 4.053 3.602 4.192 . 0 0 "[ . 1 . 2]" 1
550 1 6 ASN HA 1 45 PRO QG 3.400 . 4.300 2.850 2.445 3.214 . 0 0 "[ . 1 . 2]" 1
551 1 4 CYS HB2 1 46 SER HB2 4.000 . 4.000 4.044 3.995 4.079 0.079 12 0 "[ . 1 . 2]" 1
552 1 7 THR HA 1 46 SER HB2 4.000 . 4.000 3.012 2.881 3.116 . 0 0 "[ . 1 . 2]" 1
553 1 7 THR MG 1 46 SER HB2 4.000 . 5.100 4.311 4.291 4.335 . 0 0 "[ . 1 . 2]" 1
554 1 10 ARG QB 1 46 SER HB2 3.400 . 4.300 3.682 3.600 3.919 . 0 0 "[ . 1 . 2]" 1
555 1 46 SER HA 1 46 SER HB2 2.800 . 2.800 2.374 2.299 2.448 . 0 0 "[ . 1 . 2]" 1
556 1 4 CYS HB2 1 46 SER HB3 3.400 . 3.400 2.409 2.328 2.504 . 0 0 "[ . 1 . 2]" 1
557 1 10 ARG QB 1 46 SER HB3 4.000 . 4.900 2.963 2.758 3.373 . 0 0 "[ . 1 . 2]" 1
558 1 4 CYS HA 1 46 SER H 4.800 . 4.800 4.866 4.827 4.891 0.091 1 0 "[ . 1 . 2]" 1
559 1 4 CYS HB2 1 46 SER H 4.000 . 4.000 3.932 3.826 4.018 0.018 15 0 "[ . 1 . 2]" 1
560 1 5 ARG HA 1 46 SER H 4.000 . 4.000 3.753 3.411 4.124 0.124 10 0 "[ . 1 . 2]" 1
561 1 6 ASN HA 1 46 SER H 4.000 . 4.000 3.378 3.082 3.649 . 0 0 "[ . 1 . 2]" 1
562 1 44 HIS HA 1 46 SER H 4.000 . 4.000 3.960 3.779 4.045 0.045 11 0 "[ . 1 . 2]" 1
563 1 44 HIS QB 1 46 SER H 4.800 . 5.700 4.054 3.922 4.185 . 0 0 "[ . 1 . 2]" 1
564 1 45 PRO QD 1 46 SER H 4.000 . 4.900 3.192 2.851 3.383 . 0 0 "[ . 1 . 2]" 1
565 1 46 SER H 1 46 SER HB2 2.800 . 2.800 2.855 2.830 2.881 0.081 16 0 "[ . 1 . 2]" 1
566 1 46 SER H 1 46 SER HB3 2.800 . 2.800 2.302 2.125 2.422 . 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 17
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.124
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0062
_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 LYS 0.006 0.006 20 0 "[ . 1 . 2]"
1 3 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.006 0.006 20 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 ASN O 1 10 ARG H . . 2.500 1.827 1.803 1.873 . 0 0 "[ . 1 . 2]" 2
2 1 7 THR O 1 11 ASN H . . 2.500 2.113 1.943 2.201 . 0 0 "[ . 1 . 2]" 2
3 1 8 LEU O 1 12 CYS H . . 2.500 1.905 1.856 1.943 . 0 0 "[ . 1 . 2]" 2
4 1 9 ALA O 1 13 TYR H . . 2.500 1.822 1.804 1.846 . 0 0 "[ . 1 . 2]" 2
5 1 10 ARG O 1 14 ASN H . . 2.500 1.897 1.860 1.929 . 0 0 "[ . 1 . 2]" 2
6 1 11 ASN O 1 15 ALA H . . 2.500 1.982 1.966 2.018 . 0 0 "[ . 1 . 2]" 2
7 1 12 CYS O 1 16 CYS H . . 2.500 1.848 1.823 1.866 . 0 0 "[ . 1 . 2]" 2
8 1 14 ASN O 1 18 PHE H . . 2.500 2.191 2.117 2.262 . 0 0 "[ . 1 . 2]" 2
9 1 15 ALA O 1 19 THR H . . 2.500 1.817 1.808 1.830 . 0 0 "[ . 1 . 2]" 2
10 1 24 PRO O 1 28 ILE H . . 2.500 1.893 1.848 1.946 . 0 0 "[ . 1 . 2]" 2
11 1 25 THR O 1 29 LEU H . . 2.500 1.814 1.768 1.845 . 0 0 "[ . 1 . 2]" 2
12 1 26 CYS O 1 30 CYS H . . 2.500 2.046 1.977 2.150 . 0 0 "[ . 1 . 2]" 2
13 1 28 ILE O 1 31 ASP H . . 2.500 2.021 1.989 2.070 . 0 0 "[ . 1 . 2]" 2
14 1 27 GLY O 1 32 CYS H . . 2.500 2.045 1.911 2.295 . 0 0 "[ . 1 . 2]" 2
15 1 3 CYS O 1 33 ILE H . . 2.500 2.023 1.885 2.117 . 0 0 "[ . 1 . 2]" 2
16 1 1 LYS O 1 35 VAL H . . 2.500 2.086 1.983 2.506 0.006 20 0 "[ . 1 . 2]" 2
17 1 4 CYS O 1 46 SER H . . 2.500 1.865 1.834 1.934 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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