NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
379134 |
1hpw   |
4918 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hpw
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 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 36 CYS 0.000 0.000 . 0 "[ . 1]"
1 72 CYS 0.000 0.000 . 0 "[ . 1]"
1 108 CYS 0.000 0.000 . 0 "[ . 1]"
1 121 CYS 0.000 0.000 . 0 "[ . 1]"
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 36 CYS SG 1 72 CYS SG 2.020 . 2.120 2.022 2.019 2.025 . 0 0 "[ . 1]" 1
2 1 108 CYS SG 1 121 CYS SG 2.020 . 2.120 2.021 2.019 2.030 . 0 0 "[ . 1]" 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 218
_Distance_constraint_stats_list.Viol_count 256
_Distance_constraint_stats_list.Viol_total 87.729
_Distance_constraint_stats_list.Viol_max 0.202
_Distance_constraint_stats_list.Viol_rms 0.0149
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0343
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 GLN 0.000 0.000 9 0 "[ . 1]"
1 23 LYS 0.205 0.035 10 0 "[ . 1]"
1 26 VAL 0.023 0.023 10 0 "[ . 1]"
1 28 ASP 0.000 0.000 . 0 "[ . 1]"
1 29 ILE 0.125 0.052 7 0 "[ . 1]"
1 30 PHE 0.122 0.052 1 0 "[ . 1]"
1 31 SER 0.000 0.000 . 0 "[ . 1]"
1 32 GLN 0.254 0.062 7 0 "[ . 1]"
1 35 SER 0.000 0.000 . 0 "[ . 1]"
1 36 CYS 0.000 0.000 . 0 "[ . 1]"
1 38 ALA 0.000 0.000 . 0 "[ . 1]"
1 39 ASN 0.278 0.054 3 0 "[ . 1]"
1 48 LYS 0.000 0.000 . 0 "[ . 1]"
1 49 ASP 0.254 0.062 7 0 "[ . 1]"
1 51 ASP 0.244 0.080 6 0 "[ . 1]"
1 52 ILE 0.867 0.202 10 0 "[ . 1]"
1 56 TYR 0.781 0.114 5 0 "[ . 1]"
1 57 VAL 0.187 0.081 8 0 "[ . 1]"
1 58 ALA 0.527 0.145 1 0 "[ . 1]"
1 59 LYS 0.352 0.138 10 0 "[ . 1]"
1 60 VAL 0.592 0.202 10 0 "[ . 1]"
1 61 THR 0.083 0.028 5 0 "[ . 1]"
1 62 THR 1.122 0.080 6 0 "[ . 1]"
1 63 GLY 0.024 0.024 6 0 "[ . 1]"
1 64 GLY 0.000 0.000 . 0 "[ . 1]"
1 65 THR 0.000 0.000 . 0 "[ . 1]"
1 66 ALA 0.000 0.000 . 0 "[ . 1]"
1 67 ALA 0.000 0.000 . 0 "[ . 1]"
1 68 ALA 0.000 0.000 . 0 "[ . 1]"
1 69 SER 0.000 0.000 . 0 "[ . 1]"
1 70 GLY 0.122 0.052 1 0 "[ . 1]"
1 71 GLY 0.000 0.000 . 0 "[ . 1]"
1 72 CYS 0.649 0.065 4 0 "[ . 1]"
1 73 THR 0.000 0.000 . 0 "[ . 1]"
1 74 ILE 0.601 0.077 5 0 "[ . 1]"
1 75 VAL 0.592 0.069 9 0 "[ . 1]"
1 76 ALA 0.168 0.056 7 0 "[ . 1]"
1 77 THR 0.085 0.028 5 0 "[ . 1]"
1 78 MET 1.005 0.120 7 0 "[ . 1]"
1 79 LYS 1.580 0.145 1 0 "[ . 1]"
1 83 VAL 0.000 0.000 . 0 "[ . 1]"
1 84 ALA 0.000 0.000 9 0 "[ . 1]"
1 89 GLY 0.445 0.120 7 0 "[ . 1]"
1 90 LYS 0.296 0.118 7 0 "[ . 1]"
1 91 THR 0.516 0.065 1 0 "[ . 1]"
1 92 LEU 0.085 0.034 1 0 "[ . 1]"
1 93 THR 0.192 0.047 1 0 "[ . 1]"
1 94 LEU 1.066 0.163 2 0 "[ . 1]"
1 95 THR 0.195 0.043 4 0 "[ . 1]"
1 96 LEU 0.965 0.067 1 0 "[ . 1]"
1 97 GLY 0.464 0.095 9 0 "[ . 1]"
1 99 ALA 0.000 0.000 . 0 "[ . 1]"
1 100 ASP 0.000 0.000 . 0 "[ . 1]"
1 104 TYR 0.000 0.000 . 0 "[ . 1]"
1 105 THR 0.000 0.000 . 0 "[ . 1]"
1 106 TRP 1.009 0.095 9 0 "[ . 1]"
1 107 ALA 0.117 0.043 3 0 "[ . 1]"
1 108 CYS 0.716 0.163 2 0 "[ . 1]"
1 109 THR 0.098 0.034 1 0 "[ . 1]"
1 110 SER 0.205 0.040 1 0 "[ . 1]"
1 111 ASN 0.184 0.034 2 0 "[ . 1]"
1 121 CYS 0.000 0.000 . 0 "[ . 1]"
1 122 GLN 0.000 0.000 . 0 "[ . 1]"
1 124 ALA 0.151 0.040 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLN QB 1 84 ALA H 4.000 . 5.000 4.370 4.038 4.471 . 0 0 "[ . 1]" 2
2 1 11 GLN HE21 1 84 ALA H 4.000 . 4.500 3.420 2.712 4.290 . 0 0 "[ . 1]" 2
3 1 11 GLN HE22 1 84 ALA H 4.000 . 4.500 3.834 2.702 4.500 0.000 9 0 "[ . 1]" 2
4 1 11 GLN QE 1 83 VAL HA 5.000 . 6.000 4.108 2.484 4.952 . 0 0 "[ . 1]" 2
5 1 11 GLN QE 1 84 ALA MB 5.000 . 6.500 2.816 1.939 4.344 . 0 0 "[ . 1]" 2
6 1 23 LYS HA 1 106 TRP HE1 5.000 . 5.500 5.089 4.500 5.532 0.032 5 0 "[ . 1]" 2
7 1 23 LYS HB3 1 106 TRP HE1 5.000 . 5.500 4.703 3.906 5.515 0.015 7 0 "[ . 1]" 2
8 1 23 LYS HB2 1 106 TRP HE1 5.000 . 5.500 4.919 3.642 5.535 0.035 10 0 "[ . 1]" 2
9 1 26 VAL HB 1 74 ILE MD 5.000 . 6.000 4.234 3.965 4.450 . 0 0 "[ . 1]" 2
10 1 26 VAL QG 1 74 ILE MD 5.000 . 6.000 1.985 1.777 2.308 0.023 10 0 "[ . 1]" 2
11 1 29 ILE QG 1 74 ILE MD 5.000 . 6.000 3.881 3.121 4.360 . 0 0 "[ . 1]" 2
12 1 28 ASP QB 1 48 LYS HB3 5.000 . 6.000 4.075 3.517 5.281 . 0 0 "[ . 1]" 2
13 1 28 ASP QB 1 48 LYS HB2 5.000 . 6.000 5.188 4.344 5.366 . 0 0 "[ . 1]" 2
14 1 29 ILE MG 1 74 ILE MD 5.000 . 6.000 2.418 1.941 2.728 . 0 0 "[ . 1]" 2
15 1 29 ILE MD 1 74 ILE MD 5.000 . 6.000 3.262 2.223 4.203 . 0 0 "[ . 1]" 2
16 1 26 VAL HB 1 74 ILE MG 5.000 . 6.000 4.529 3.096 5.035 . 0 0 "[ . 1]" 2
17 1 26 VAL QG 1 74 ILE MG 5.000 . 6.000 3.115 2.440 3.723 . 0 0 "[ . 1]" 2
18 1 29 ILE QG 1 74 ILE MG 5.000 . 6.000 3.122 2.251 3.691 . 0 0 "[ . 1]" 2
19 1 29 ILE MG 1 74 ILE MG 5.000 . 6.000 2.821 2.577 3.075 . 0 0 "[ . 1]" 2
20 1 29 ILE MD 1 74 ILE MG 5.000 . 6.000 2.243 1.748 3.373 0.052 7 0 "[ . 1]" 2
21 1 30 PHE H 1 96 LEU QD 5.000 . 6.500 2.796 2.370 3.374 . 0 0 "[ . 1]" 2
22 1 30 PHE QD 1 67 ALA H 5.000 . 6.000 5.215 3.583 5.431 . 0 0 "[ . 1]" 2
23 1 30 PHE QD 1 68 ALA H 5.000 . 6.000 5.201 4.720 5.453 . 0 0 "[ . 1]" 2
24 1 30 PHE QD 1 66 ALA MB 5.000 . 6.500 3.132 2.372 3.781 . 0 0 "[ . 1]" 2
25 1 30 PHE QD 1 96 LEU MD1 4.000 . 5.500 3.191 2.893 3.456 . 0 0 "[ . 1]" 2
26 1 30 PHE QD 1 96 LEU MD2 4.000 . 5.500 2.505 1.951 2.845 . 0 0 "[ . 1]" 2
27 1 30 PHE QE 1 96 LEU QD 4.000 . 6.000 3.431 3.116 3.762 . 0 0 "[ . 1]" 2
28 1 30 PHE QE 1 67 ALA H 4.000 . 5.000 3.337 1.972 3.804 . 0 0 "[ . 1]" 2
29 1 30 PHE QE 1 68 ALA H 5.000 . 6.000 3.052 2.412 3.477 . 0 0 "[ . 1]" 2
30 1 30 PHE QE 1 70 GLY H 4.000 . 5.000 3.290 2.491 4.113 . 0 0 "[ . 1]" 2
31 1 30 PHE HZ 1 67 ALA H 5.000 . 5.500 4.593 3.320 5.248 . 0 0 "[ . 1]" 2
32 1 30 PHE HZ 1 70 GLY H 4.000 . 4.500 3.522 2.071 4.552 0.052 1 0 "[ . 1]" 2
33 1 31 SER H 1 96 LEU MD1 5.000 . 6.000 3.869 3.672 4.103 . 0 0 "[ . 1]" 2
34 1 31 SER H 1 96 LEU MD2 5.000 . 6.000 4.793 4.555 5.021 . 0 0 "[ . 1]" 2
35 1 31 SER HA 1 96 LEU MD1 5.000 . 6.500 5.425 5.317 5.465 . 0 0 "[ . 1]" 2
36 1 31 SER HA 1 96 LEU MD2 5.000 . 6.500 5.463 5.437 5.505 . 0 0 "[ . 1]" 2
37 1 32 GLN HA 1 49 ASP H 5.000 . 6.000 5.905 5.481 6.062 0.062 7 0 "[ . 1]" 2
38 1 32 GLN QE 1 61 THR HA 5.000 . 6.200 5.615 5.589 5.658 . 0 0 "[ . 1]" 2
39 1 32 GLN QE 1 62 THR H 5.000 . 6.000 4.705 4.494 4.955 . 0 0 "[ . 1]" 2
40 1 35 SER HA 1 66 ALA H 4.000 . 5.000 4.443 3.814 4.973 . 0 0 "[ . 1]" 2
41 1 36 CYS H 1 66 ALA H 5.000 . 5.500 3.153 2.773 3.431 . 0 0 "[ . 1]" 2
42 1 36 CYS H 1 66 ALA MB 4.000 . 5.000 3.717 3.386 4.146 . 0 0 "[ . 1]" 2
43 1 36 CYS QB 1 66 ALA H 4.000 . 5.000 2.450 1.933 3.419 . 0 0 "[ . 1]" 2
44 1 36 CYS HA 1 72 CYS QB 5.000 . 6.000 3.700 3.087 4.334 . 0 0 "[ . 1]" 2
45 1 36 CYS HB3 1 72 CYS HA 5.000 . 5.500 3.049 2.233 4.932 . 0 0 "[ . 1]" 2
46 1 36 CYS HB2 1 72 CYS HA 5.000 . 5.500 3.993 3.297 4.608 . 0 0 "[ . 1]" 2
47 1 38 ALA HA 1 62 THR H 5.000 . 5.500 4.223 3.648 5.089 . 0 0 "[ . 1]" 2
48 1 39 ASN H 1 62 THR H 3.000 . 3.500 3.271 2.832 3.549 0.049 1 0 "[ . 1]" 2
49 1 39 ASN H 1 62 THR HB 4.000 . 4.500 4.048 2.848 4.554 0.054 3 0 "[ . 1]" 2
50 1 39 ASN H 1 62 THR MG 4.000 . 5.000 2.650 1.886 4.245 . 0 0 "[ . 1]" 2
51 1 39 ASN QB 1 62 THR H 5.000 . 6.000 3.266 2.481 4.223 . 0 0 "[ . 1]" 2
52 1 39 ASN HD21 1 62 THR H 5.000 . 5.500 4.153 2.219 5.506 0.006 9 0 "[ . 1]" 2
53 1 39 ASN HD22 1 62 THR H 5.000 . 5.500 4.228 2.384 5.177 . 0 0 "[ . 1]" 2
54 1 51 ASP H 1 62 THR H 5.000 . 5.700 5.724 5.703 5.780 0.080 6 0 "[ . 1]" 2
55 1 52 ILE H 1 59 LYS HA 4.000 . 5.000 5.006 4.711 5.138 0.138 10 0 "[ . 1]" 2
56 1 52 ILE HB 1 59 LYS HA 5.000 . 5.500 4.673 4.428 5.126 . 0 0 "[ . 1]" 2
57 1 52 ILE HB 1 60 VAL H 3.000 . 4.500 4.551 4.499 4.702 0.202 10 0 "[ . 1]" 2
58 1 56 TYR HA 1 79 LYS H 5.000 . 5.500 5.578 5.544 5.614 0.114 5 0 "[ . 1]" 2
59 1 57 VAL H 1 78 MET HA 5.000 . 6.000 5.778 5.413 6.081 0.081 8 0 "[ . 1]" 2
60 1 57 VAL HB 1 79 LYS H 4.000 . 5.500 5.263 4.340 5.527 0.027 4 0 "[ . 1]" 2
61 1 57 VAL MG1 1 78 MET HA 5.000 . 6.000 5.004 4.828 5.061 . 0 0 "[ . 1]" 2
62 1 57 VAL MG2 1 78 MET HA 5.000 . 6.000 3.916 3.346 5.009 . 0 0 "[ . 1]" 2
63 1 58 ALA HA 1 78 MET HA 2.400 . 2.900 2.465 2.214 2.905 0.005 9 0 "[ . 1]" 2
64 1 58 ALA HA 1 79 LYS H 3.000 . 3.500 3.552 3.512 3.645 0.145 1 0 "[ . 1]" 2
65 1 58 ALA H 1 79 LYS H 5.000 . 5.500 3.606 3.432 3.709 . 0 0 "[ . 1]" 2
66 1 58 ALA H 1 78 MET HA 5.000 . 5.500 4.168 3.982 4.559 . 0 0 "[ . 1]" 2
67 1 58 ALA MB 1 78 MET HA 5.000 . 6.000 3.969 3.776 4.175 . 0 0 "[ . 1]" 2
68 1 58 ALA MB 1 79 LYS H 5.000 . 6.000 4.772 4.640 4.828 . 0 0 "[ . 1]" 2
69 1 59 LYS H 1 77 THR H 3.000 . 3.500 2.656 2.429 2.873 . 0 0 "[ . 1]" 2
70 1 59 LYS H 1 77 THR HB 4.000 . 4.500 3.082 2.290 3.890 . 0 0 "[ . 1]" 2
71 1 59 LYS H 1 78 MET HA 4.000 . 4.500 3.578 3.343 3.909 . 0 0 "[ . 1]" 2
72 1 59 LYS H 1 79 LYS QB 5.000 . 6.500 5.572 4.699 5.822 . 0 0 "[ . 1]" 2
73 1 59 LYS H 1 79 LYS H 5.000 . 5.500 4.442 3.936 4.801 . 0 0 "[ . 1]" 2
74 1 59 LYS HA 1 79 LYS QG 5.000 . 6.500 5.804 5.557 5.858 . 0 0 "[ . 1]" 2
75 1 60 VAL H 1 76 ALA HA 5.000 . 5.500 4.330 4.123 4.450 . 0 0 "[ . 1]" 2
76 1 60 VAL H 1 76 ALA MB 5.000 . 6.000 4.882 4.743 5.011 . 0 0 "[ . 1]" 2
77 1 60 VAL HA 1 76 ALA H 5.000 . 5.500 4.588 4.518 4.629 . 0 0 "[ . 1]" 2
78 1 60 VAL HA 1 76 ALA HA 2.400 . 2.900 2.010 1.983 2.077 . 0 0 "[ . 1]" 2
79 1 60 VAL HA 1 77 THR H 3.000 . 3.500 3.158 2.553 3.502 0.002 9 0 "[ . 1]" 2
80 1 60 VAL HB 1 76 ALA HA 4.000 . 4.500 4.049 3.828 4.338 . 0 0 "[ . 1]" 2
81 1 60 VAL QG 1 75 VAL H 4.000 . 5.500 3.638 3.235 4.087 . 0 0 "[ . 1]" 2
82 1 60 VAL QG 1 76 ALA H 5.000 . 6.500 3.454 3.242 3.786 . 0 0 "[ . 1]" 2
83 1 60 VAL MG1 1 76 ALA HA 4.000 . 5.000 2.252 2.004 2.566 . 0 0 "[ . 1]" 2
84 1 60 VAL MG1 1 76 ALA MB 4.000 . 5.000 2.260 2.109 2.486 . 0 0 "[ . 1]" 2
85 1 60 VAL MG1 1 77 THR H 4.000 . 5.000 4.049 3.813 4.177 . 0 0 "[ . 1]" 2
86 1 60 VAL MG2 1 76 ALA HA 5.000 . 6.000 1.985 1.914 2.153 . 0 0 "[ . 1]" 2
87 1 60 VAL MG2 1 76 ALA MB 4.000 . 5.000 1.866 1.744 2.066 0.056 7 0 "[ . 1]" 2
88 1 60 VAL MG2 1 77 THR H 4.000 . 5.000 2.173 1.962 2.422 . 0 0 "[ . 1]" 2
89 1 61 THR H 1 75 VAL H 3.000 . 3.500 3.270 3.083 3.422 . 0 0 "[ . 1]" 2
90 1 61 THR H 1 75 VAL QG 5.000 . 6.000 3.605 3.005 4.468 . 0 0 "[ . 1]" 2
91 1 61 THR H 1 76 ALA HA 4.000 . 4.500 3.576 3.428 3.778 . 0 0 "[ . 1]" 2
92 1 61 THR H 1 76 ALA MB 5.000 . 6.000 4.497 4.400 4.824 . 0 0 "[ . 1]" 2
93 1 61 THR H 1 77 THR H 5.000 . 5.500 5.313 4.719 5.528 0.028 5 0 "[ . 1]" 2
94 1 61 THR HA 1 75 VAL H 5.000 . 5.500 5.314 5.170 5.396 . 0 0 "[ . 1]" 2
95 1 61 THR HB 1 75 VAL H 4.000 . 4.500 4.230 4.040 4.356 . 0 0 "[ . 1]" 2
96 1 61 THR MG 1 75 VAL H 5.000 . 6.000 5.000 4.973 5.012 . 0 0 "[ . 1]" 2
97 1 62 THR HA 1 74 ILE HA 2.400 . 2.900 2.899 2.813 2.977 0.077 5 0 "[ . 1]" 2
98 1 62 THR HA 1 74 ILE HB 5.000 . 5.500 4.546 4.327 4.827 . 0 0 "[ . 1]" 2
99 1 62 THR HA 1 74 ILE HG13 3.000 . 3.500 2.032 1.958 2.198 . 0 0 "[ . 1]" 2
100 1 62 THR HA 1 74 ILE HG12 4.000 . 4.500 3.011 2.552 3.240 . 0 0 "[ . 1]" 2
101 1 62 THR HA 1 74 ILE MG 4.000 . 5.000 2.608 2.401 3.192 . 0 0 "[ . 1]" 2
102 1 62 THR HA 1 74 ILE MD 5.000 . 6.000 3.729 3.576 3.896 . 0 0 "[ . 1]" 2
103 1 62 THR HA 1 75 VAL H 3.000 . 4.000 4.045 4.018 4.069 0.069 9 0 "[ . 1]" 2
104 1 63 GLY H 1 72 CYS HA 5.000 . 5.500 4.647 4.259 5.524 0.024 6 0 "[ . 1]" 2
105 1 63 GLY H 1 73 THR H 4.000 . 4.500 4.111 3.824 4.480 . 0 0 "[ . 1]" 2
106 1 63 GLY H 1 74 ILE HA 5.000 . 5.500 3.255 2.811 3.736 . 0 0 "[ . 1]" 2
107 1 63 GLY H 1 75 VAL H 5.000 . 5.500 4.991 4.467 5.484 . 0 0 "[ . 1]" 2
108 1 63 GLY QA 1 74 ILE QG 4.000 2.800 5.500 4.358 4.092 4.434 . 0 0 "[ . 1]" 2
109 1 63 GLY QA 1 74 ILE MD 5.000 . 6.500 4.812 4.616 4.857 . 0 0 "[ . 1]" 2
110 1 64 GLY HA3 1 72 CYS HA 4.000 . 5.000 2.282 2.023 2.542 . 0 0 "[ . 1]" 2
111 1 64 GLY HA2 1 72 CYS HA 4.000 . 4.500 3.959 3.700 4.144 . 0 0 "[ . 1]" 2
112 1 64 GLY QA 1 72 CYS QB 4.000 . 5.500 3.995 3.523 4.389 . 0 0 "[ . 1]" 2
113 1 64 GLY HA3 1 73 THR H 4.000 . 5.000 2.073 1.974 2.301 . 0 0 "[ . 1]" 2
114 1 64 GLY HA2 1 73 THR H 4.000 . 4.500 3.120 2.831 3.429 . 0 0 "[ . 1]" 2
115 1 65 THR H 1 72 CYS HA 4.000 . 4.500 3.441 2.823 3.949 . 0 0 "[ . 1]" 2
116 1 66 ALA H 1 71 GLY QA 5.000 . 6.000 4.780 4.092 5.381 . 0 0 "[ . 1]" 2
117 1 67 ALA H 1 100 ASP QB 5.000 . 6.500 5.755 5.184 5.943 . 0 0 "[ . 1]" 2
118 1 69 SER HA 1 99 ALA H 4.000 . 4.500 3.935 3.529 4.407 . 0 0 "[ . 1]" 2
119 1 70 GLY H 1 96 LEU QD 5.000 . 7.000 4.369 3.564 5.206 . 0 0 "[ . 1]" 2
120 1 70 GLY H 1 99 ALA HA 5.000 . 5.500 3.661 2.813 4.820 . 0 0 "[ . 1]" 2
121 1 70 GLY H 1 99 ALA MB 5.000 . 6.000 4.918 4.335 5.043 . 0 0 "[ . 1]" 2
122 1 72 CYS H 1 95 THR HA 5.000 . 5.500 4.587 4.361 4.958 . 0 0 "[ . 1]" 2
123 1 72 CYS H 1 96 LEU H 3.000 . 3.500 2.772 2.448 3.051 . 0 0 "[ . 1]" 2
124 1 72 CYS H 1 96 LEU HB3 3.000 . 3.500 2.678 2.528 2.770 . 0 0 "[ . 1]" 2
125 1 72 CYS H 1 96 LEU HB2 3.000 . 3.500 3.532 3.508 3.546 0.046 1 0 "[ . 1]" 2
126 1 72 CYS H 1 96 LEU HG 5.000 . 5.500 5.512 5.389 5.565 0.065 4 0 "[ . 1]" 2
127 1 72 CYS H 1 96 LEU MD1 5.000 . 6.000 4.677 4.557 4.861 . 0 0 "[ . 1]" 2
128 1 72 CYS H 1 96 LEU MD2 5.000 . 6.000 4.019 3.660 4.202 . 0 0 "[ . 1]" 2
129 1 72 CYS QB 1 95 THR HA 5.000 . 6.000 4.422 4.217 4.820 . 0 0 "[ . 1]" 2
130 1 72 CYS QB 1 96 LEU H 5.000 . 6.000 3.485 3.096 3.920 . 0 0 "[ . 1]" 2
131 1 72 CYS QB 1 96 LEU MD2 5.000 . 6.500 3.970 3.330 4.526 . 0 0 "[ . 1]" 2
132 1 73 THR HA 1 94 LEU H 5.000 . 5.500 4.511 4.244 4.817 . 0 0 "[ . 1]" 2
133 1 73 THR HA 1 95 THR HA 2.400 . 2.900 2.276 1.970 2.598 . 0 0 "[ . 1]" 2
134 1 73 THR HA 1 95 THR HB 5.000 . 5.500 4.636 4.308 4.936 . 0 0 "[ . 1]" 2
135 1 73 THR HA 1 95 THR MG 4.000 . 5.000 2.626 2.245 3.094 . 0 0 "[ . 1]" 2
136 1 73 THR HA 1 96 LEU H 4.000 . 4.500 3.864 3.536 4.033 . 0 0 "[ . 1]" 2
137 1 73 THR HA 1 96 LEU QB 5.000 . 6.000 5.145 4.427 5.384 . 0 0 "[ . 1]" 2
138 1 73 THR HB 1 95 THR HA 5.000 . 5.500 4.557 2.775 5.152 . 0 0 "[ . 1]" 2
139 1 73 THR MG 1 95 THR HA 5.000 . 6.000 3.359 2.869 4.211 . 0 0 "[ . 1]" 2
140 1 73 THR MG 1 96 LEU H 5.000 . 6.000 4.302 3.824 5.024 . 0 0 "[ . 1]" 2
141 1 74 ILE H 1 93 THR HA 5.000 . 5.500 5.204 4.946 5.517 0.017 9 0 "[ . 1]" 2
142 1 74 ILE H 1 93 THR MG 5.000 . 6.000 3.548 3.301 4.010 . 0 0 "[ . 1]" 2
143 1 74 ILE H 1 94 LEU H 3.000 . 3.500 3.525 3.466 3.560 0.060 9 0 "[ . 1]" 2
144 1 74 ILE H 1 94 LEU HB3 5.000 . 5.500 4.923 4.161 5.500 0.000 9 0 "[ . 1]" 2
145 1 74 ILE H 1 94 LEU HB2 5.000 . 5.500 4.721 4.356 5.186 . 0 0 "[ . 1]" 2
146 1 74 ILE H 1 95 THR HA 4.000 . 4.500 3.071 2.660 3.523 . 0 0 "[ . 1]" 2
147 1 75 VAL HA 1 92 LEU H 5.000 . 5.500 4.614 4.283 4.933 . 0 0 "[ . 1]" 2
148 1 75 VAL HA 1 93 THR HA 2.400 . 2.900 2.044 1.974 2.164 . 0 0 "[ . 1]" 2
149 1 75 VAL HA 1 94 LEU H 3.000 . 3.500 3.456 3.253 3.559 0.059 1 0 "[ . 1]" 2
150 1 75 VAL HA 1 94 LEU QB 5.000 . 6.000 5.276 4.897 5.367 . 0 0 "[ . 1]" 2
151 1 75 VAL MG2 1 93 THR HA 3.000 . 4.000 3.311 3.234 3.343 . 0 0 "[ . 1]" 2
152 1 75 VAL MG2 1 93 THR HB 5.000 . 6.000 4.089 3.671 4.338 . 0 0 "[ . 1]" 2
153 1 76 ALA H 1 91 THR HA 5.000 . 5.500 5.110 4.660 5.505 0.005 7 0 "[ . 1]" 2
154 1 76 ALA H 1 92 LEU H 3.000 . 3.500 3.180 2.759 3.501 0.001 7 0 "[ . 1]" 2
155 1 76 ALA H 1 93 THR HA 4.000 . 4.500 2.764 2.527 2.954 . 0 0 "[ . 1]" 2
156 1 76 ALA H 1 94 LEU H 5.000 . 5.500 4.421 4.052 4.799 . 0 0 "[ . 1]" 2
157 1 76 ALA H 1 93 THR HB 5.000 . 5.500 5.442 5.303 5.547 0.047 1 0 "[ . 1]" 2
158 1 77 THR HA 1 91 THR HA 2.400 . 2.900 2.021 1.947 2.202 . 0 0 "[ . 1]" 2
159 1 77 THR HA 1 91 THR HB 5.000 . 5.500 3.849 2.807 4.226 . 0 0 "[ . 1]" 2
160 1 77 THR HA 1 92 LEU H 4.000 . 4.500 3.277 3.038 3.567 . 0 0 "[ . 1]" 2
161 1 78 MET H 1 90 LYS H 3.000 . 3.500 3.223 2.626 3.545 0.045 4 0 "[ . 1]" 2
162 1 78 MET H 1 91 THR HA 3.000 . 3.500 3.328 2.825 3.565 0.065 1 0 "[ . 1]" 2
163 1 78 MET H 1 91 THR HB 5.000 . 5.500 5.375 4.115 5.556 0.056 3 0 "[ . 1]" 2
164 1 78 MET QB 1 90 LYS H 4.000 . 5.000 2.336 2.029 2.890 . 0 0 "[ . 1]" 2
165 1 78 MET QG 1 90 LYS H 3.000 . 4.500 4.001 3.825 4.052 . 0 0 "[ . 1]" 2
166 1 78 MET HB3 1 89 GLY H 3.000 . 3.500 3.525 3.501 3.552 0.052 9 0 "[ . 1]" 2
167 1 78 MET HB2 1 89 GLY H 3.000 . 3.500 3.260 2.444 3.620 0.120 7 0 "[ . 1]" 2
168 1 79 LYS HA 1 90 LYS H 4.000 . 4.500 4.402 4.123 4.618 0.118 7 0 "[ . 1]" 2
169 1 79 LYS QG 1 90 LYS H 4.000 . 5.000 4.521 4.489 4.544 . 0 0 "[ . 1]" 2
170 1 91 THR H 1 111 ASN H 4.000 . 4.500 4.366 3.895 4.530 0.030 4 0 "[ . 1]" 2
171 1 91 THR H 1 111 ASN HD21 5.000 . 5.500 4.359 3.090 5.526 0.026 5 0 "[ . 1]" 2
172 1 91 THR H 1 111 ASN HD22 5.000 . 5.500 5.344 4.640 5.534 0.034 2 0 "[ . 1]" 2
173 1 92 LEU HA 1 109 THR H 5.000 . 5.500 5.380 4.995 5.534 0.034 1 0 "[ . 1]" 2
174 1 92 LEU HA 1 111 ASN H 4.000 . 4.500 2.232 1.979 2.483 . 0 0 "[ . 1]" 2
175 1 92 LEU HA 1 109 THR MG 5.000 . 6.000 5.020 4.958 5.053 . 0 0 "[ . 1]" 2
176 1 92 LEU HA 1 110 SER HA 2.400 . 2.900 2.113 1.934 2.701 . 0 0 "[ . 1]" 2
177 1 92 LEU HA 1 110 SER HB3 5.000 . 5.500 4.634 3.565 5.391 . 0 0 "[ . 1]" 2
178 1 92 LEU HA 1 110 SER HB2 5.000 . 5.500 3.785 2.361 5.344 . 0 0 "[ . 1]" 2
179 1 92 LEU QB 1 110 SER HA 5.000 . 6.000 3.439 2.708 4.002 . 0 0 "[ . 1]" 2
180 1 92 LEU HG 1 110 SER HA 4.000 . 4.500 2.520 1.961 3.599 . 0 0 "[ . 1]" 2
181 1 92 LEU HG 1 110 SER QB 5.000 . 6.000 2.617 1.975 4.574 . 0 0 "[ . 1]" 2
182 1 93 THR H 1 109 THR H 4.000 . 4.500 3.956 3.534 4.374 . 0 0 "[ . 1]" 2
183 1 93 THR H 1 110 SER HA 3.000 . 3.500 2.446 1.969 3.503 0.003 9 0 "[ . 1]" 2
184 1 93 THR HB 1 109 THR H 4.000 . 4.500 4.267 4.015 4.514 0.014 7 0 "[ . 1]" 2
185 1 93 THR MG 1 109 THR H 5.000 . 6.000 4.819 4.465 4.999 . 0 0 "[ . 1]" 2
186 1 93 THR H 1 109 THR MG 5.000 . 6.000 3.651 3.217 4.194 . 0 0 "[ . 1]" 2
187 1 93 THR H 1 110 SER QB 5.000 . 6.000 4.114 3.048 5.328 . 0 0 "[ . 1]" 2
188 1 93 THR H 1 110 SER HG 5.000 . 5.500 5.163 4.454 5.527 0.027 8 0 "[ . 1]" 2
189 1 93 THR H 1 111 ASN H 5.000 . 5.500 3.741 3.431 4.162 . 0 0 "[ . 1]" 2
190 1 94 LEU HA 1 108 CYS HA 2.400 . 2.900 2.698 1.999 2.977 0.077 10 0 "[ . 1]" 2
191 1 94 LEU HA 1 108 CYS HB3 5.000 . 5.500 5.251 3.980 5.663 0.163 2 0 "[ . 1]" 2
192 1 94 LEU HA 1 108 CYS HB2 5.000 . 5.500 5.092 4.730 5.414 . 0 0 "[ . 1]" 2
193 1 94 LEU HA 1 107 ALA H 5.000 . 5.500 4.454 4.043 4.998 . 0 0 "[ . 1]" 2
194 1 94 LEU HA 1 109 THR H 3.000 . 3.500 3.233 2.920 3.468 . 0 0 "[ . 1]" 2
195 1 95 THR H 1 108 CYS HA 4.000 2.800 4.000 3.833 3.115 4.043 0.043 4 0 "[ . 1]" 2
196 1 95 THR H 1 109 THR H 5.000 . 5.500 5.042 4.667 5.337 . 0 0 "[ . 1]" 2
197 1 95 THR HB 1 107 ALA H 4.000 2.800 4.500 2.879 2.757 3.437 0.043 3 0 "[ . 1]" 2
198 1 95 THR MG 1 107 ALA H 4.000 2.800 5.000 4.190 4.179 4.209 . 0 0 "[ . 1]" 2
199 1 96 LEU HA 1 106 TRP HA 2.400 . 2.900 2.934 2.911 2.967 0.067 1 0 "[ . 1]" 2
200 1 96 LEU HA 1 107 ALA H 4.000 . 4.500 3.969 3.549 4.389 . 0 0 "[ . 1]" 2
201 1 96 LEU MD1 1 104 TYR QB 5.000 . 6.500 4.461 3.017 4.855 . 0 0 "[ . 1]" 2
202 1 96 LEU MD1 1 104 TYR QD 4.000 . 5.500 3.403 3.122 3.630 . 0 0 "[ . 1]" 2
203 1 96 LEU MD1 1 104 TYR QE 4.000 . 5.500 4.060 3.794 4.114 . 0 0 "[ . 1]" 2
204 1 96 LEU QD 1 104 TYR H 5.000 . 6.500 4.869 4.841 4.908 . 0 0 "[ . 1]" 2
205 1 96 LEU QD 1 105 THR H 4.000 . 5.500 3.381 3.090 3.518 . 0 0 "[ . 1]" 2
206 1 96 LEU MD2 1 104 TYR QB 5.000 . 6.500 3.804 2.879 4.435 . 0 0 "[ . 1]" 2
207 1 96 LEU MD2 1 104 TYR QD 4.000 . 5.500 2.611 1.825 3.204 . 0 0 "[ . 1]" 2
208 1 96 LEU MD2 1 104 TYR QE 4.000 . 5.500 3.507 3.004 4.014 . 0 0 "[ . 1]" 2
209 1 97 GLY H 1 104 TYR HA 5.000 . 5.500 4.391 4.045 4.913 . 0 0 "[ . 1]" 2
210 1 97 GLY H 1 104 TYR QB 5.000 . 6.000 4.989 3.628 5.476 . 0 0 "[ . 1]" 2
211 1 97 GLY H 1 105 THR H 3.000 . 3.500 2.723 2.503 3.384 . 0 0 "[ . 1]" 2
212 1 97 GLY H 1 106 TRP HA 3.000 . 3.500 3.532 3.353 3.595 0.095 9 0 "[ . 1]" 2
213 1 108 CYS HA 1 121 CYS QB 5.000 . 6.000 4.692 3.900 5.128 . 0 0 "[ . 1]" 2
214 1 109 THR HA 1 122 GLN H 4.000 . 4.500 2.978 2.235 3.906 . 0 0 "[ . 1]" 2
215 1 109 THR MG 1 122 GLN H 5.000 . 6.000 4.594 3.936 5.027 . 0 0 "[ . 1]" 2
216 1 110 SER H 1 124 ALA H 4.000 . 4.500 4.327 2.638 4.540 0.040 1 0 "[ . 1]" 2
217 1 110 SER H 1 124 ALA MB 5.000 . 6.000 4.702 3.940 5.003 . 0 0 "[ . 1]" 2
218 1 111 ASN HA 1 124 ALA H 4.000 . 4.500 3.498 3.084 4.520 0.020 9 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 119
_Distance_constraint_stats_list.Viol_count 110
_Distance_constraint_stats_list.Viol_total 37.311
_Distance_constraint_stats_list.Viol_max 0.141
_Distance_constraint_stats_list.Viol_rms 0.0130
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0339
_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 7 PHE 0.016 0.016 2 0 "[ . 1]"
1 9 ARG 0.016 0.016 2 0 "[ . 1]"
1 10 ALA 0.091 0.038 3 0 "[ . 1]"
1 11 GLN 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 0.091 0.038 3 0 "[ . 1]"
1 13 SER 0.000 0.000 . 0 "[ . 1]"
1 14 GLU 0.000 0.000 . 0 "[ . 1]"
1 15 ALA 0.000 0.000 . 0 "[ . 1]"
1 16 MET 0.000 0.000 . 0 "[ . 1]"
1 17 THR 0.000 0.000 . 0 "[ . 1]"
1 18 LEU 0.000 0.000 . 0 "[ . 1]"
1 19 ALA 0.000 0.000 . 0 "[ . 1]"
1 20 SER 0.000 0.000 . 0 "[ . 1]"
1 21 GLY 0.000 0.000 . 0 "[ . 1]"
1 22 LEU 0.000 0.000 . 0 "[ . 1]"
1 23 LYS 0.008 0.005 9 0 "[ . 1]"
1 24 THR 0.000 0.000 . 0 "[ . 1]"
1 25 LYS 0.000 0.000 . 0 "[ . 1]"
1 26 VAL 0.008 0.005 9 0 "[ . 1]"
1 27 SER 0.000 0.000 . 0 "[ . 1]"
1 28 ASP 0.000 0.000 . 0 "[ . 1]"
1 29 ILE 0.181 0.118 6 0 "[ . 1]"
1 30 PHE 0.626 0.114 1 0 "[ . 1]"
1 31 SER 0.025 0.018 3 0 "[ . 1]"
1 32 GLN 0.000 0.000 . 0 "[ . 1]"
1 33 ASP 0.832 0.118 6 0 "[ . 1]"
1 34 GLY 0.000 0.000 . 0 "[ . 1]"
1 35 SER 0.000 0.000 . 0 "[ . 1]"
1 39 ASN 0.579 0.101 6 0 "[ . 1]"
1 41 ALA 0.233 0.038 10 0 "[ . 1]"
1 43 THR 0.576 0.101 6 0 "[ . 1]"
1 44 ALA 0.000 0.000 . 0 "[ . 1]"
1 45 GLY 0.000 0.000 . 0 "[ . 1]"
1 46 ILE 0.229 0.038 2 0 "[ . 1]"
1 47 GLU 0.000 0.000 . 0 "[ . 1]"
1 48 LYS 0.000 0.000 . 0 "[ . 1]"
1 49 ASP 0.000 0.000 . 0 "[ . 1]"
1 51 ASP 0.096 0.032 1 0 "[ . 1]"
1 53 ASN 0.096 0.032 1 0 "[ . 1]"
1 54 GLY 0.243 0.067 10 0 "[ . 1]"
1 55 LYS 0.019 0.017 10 0 "[ . 1]"
1 56 TYR 0.000 0.000 . 0 "[ . 1]"
1 57 VAL 0.262 0.067 10 0 "[ . 1]"
1 67 ALA 0.070 0.070 9 0 "[ . 1]"
1 68 ALA 0.000 0.000 . 0 "[ . 1]"
1 70 GLY 0.070 0.070 9 0 "[ . 1]"
1 79 LYS 0.000 0.000 . 0 "[ . 1]"
1 81 SER 0.000 0.000 . 0 "[ . 1]"
1 85 THR 0.243 0.075 3 0 "[ . 1]"
1 88 ARG 0.243 0.075 3 0 "[ . 1]"
1 96 LEU 0.000 0.000 . 0 "[ . 1]"
1 97 GLY 0.497 0.141 5 0 "[ . 1]"
1 99 ALA 0.672 0.141 5 0 "[ . 1]"
1 100 ASP 0.000 0.000 . 0 "[ . 1]"
1 101 LYS 0.077 0.044 3 0 "[ . 1]"
1 102 GLY 0.000 0.000 . 0 "[ . 1]"
1 104 TYR 0.144 0.098 5 0 "[ . 1]"
1 106 TRP 0.046 0.032 2 0 "[ . 1]"
1 110 SER 0.525 0.058 7 0 "[ . 1]"
1 112 ALA 0.580 0.058 7 0 "[ . 1]"
1 114 ASN 0.062 0.019 3 0 "[ . 1]"
1 116 TYR 0.008 0.008 10 0 "[ . 1]"
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 9 ARG H 1 11 GLN H 5.000 . 5.500 5.136 4.124 5.456 . 0 0 "[ . 1]" 3
2 1 10 ALA H 1 12 LEU H 5.000 . 5.500 4.697 3.851 5.538 0.038 3 0 "[ . 1]" 3
3 1 11 GLN H 1 13 SER H 5.000 . 5.500 4.433 4.247 4.756 . 0 0 "[ . 1]" 3
4 1 13 SER H 1 15 ALA H 5.000 . 5.500 3.915 3.777 4.028 . 0 0 "[ . 1]" 3
5 1 14 GLU H 1 16 MET H 5.000 . 5.500 4.678 4.541 4.825 . 0 0 "[ . 1]" 3
6 1 15 ALA H 1 17 THR H 5.000 . 5.500 3.880 3.818 3.946 . 0 0 "[ . 1]" 3
7 1 16 MET H 1 18 LEU H 5.000 . 5.500 4.209 3.917 4.539 . 0 0 "[ . 1]" 3
8 1 17 THR H 1 19 ALA H 5.000 . 5.500 3.914 3.748 4.198 . 0 0 "[ . 1]" 3
9 1 18 LEU H 1 20 SER H 5.000 . 5.500 4.455 4.192 4.701 . 0 0 "[ . 1]" 3
10 1 19 ALA H 1 21 GLY H 5.000 . 5.500 4.018 3.810 4.445 . 0 0 "[ . 1]" 3
11 1 20 SER H 1 22 LEU H 5.000 . 5.500 3.999 3.766 4.327 . 0 0 "[ . 1]" 3
12 1 21 GLY H 1 23 LYS H 5.000 . 5.500 4.326 3.840 4.681 . 0 0 "[ . 1]" 3
13 1 22 LEU H 1 24 THR H 5.000 . 5.500 4.143 3.935 4.456 . 0 0 "[ . 1]" 3
14 1 23 LYS H 1 25 LYS H 5.000 . 5.500 3.965 3.677 4.260 . 0 0 "[ . 1]" 3
15 1 24 THR H 1 26 VAL H 5.000 . 5.500 4.454 4.228 4.854 . 0 0 "[ . 1]" 3
16 1 25 LYS H 1 27 SER H 5.000 . 5.500 3.917 3.739 4.131 . 0 0 "[ . 1]" 3
17 1 26 VAL H 1 28 ASP H 5.000 . 5.500 4.139 4.031 4.238 . 0 0 "[ . 1]" 3
18 1 27 SER H 1 29 ILE H 5.000 . 5.500 4.056 3.965 4.460 . 0 0 "[ . 1]" 3
19 1 29 ILE H 1 31 SER H 5.000 . 5.500 3.815 3.648 3.938 . 0 0 "[ . 1]" 3
20 1 30 PHE H 1 32 GLN H 5.000 . 5.500 3.948 3.771 4.254 . 0 0 "[ . 1]" 3
21 1 31 SER H 1 33 ASP H 5.000 . 5.500 5.208 4.547 5.518 0.018 3 0 "[ . 1]" 3
22 1 32 GLN H 1 34 GLY H 5.000 . 5.500 3.835 3.641 4.034 . 0 0 "[ . 1]" 3
23 1 33 ASP H 1 35 SER H 5.000 . 5.500 3.525 3.198 3.805 . 0 0 "[ . 1]" 3
24 1 44 ALA H 1 46 ILE H 5.000 . 5.500 3.215 2.779 4.305 . 0 0 "[ . 1]" 3
25 1 47 GLU H 1 49 ASP H 5.000 . 5.500 3.512 2.830 4.118 . 0 0 "[ . 1]" 3
26 1 55 LYS H 1 57 VAL H 4.000 . 4.500 3.913 3.329 4.517 0.017 10 0 "[ . 1]" 3
27 1 68 ALA H 1 70 GLY H 5.000 . 5.500 3.852 2.510 4.719 . 0 0 "[ . 1]" 3
28 1 100 ASP H 1 102 GLY H 5.000 . 5.500 4.188 3.639 4.916 . 0 0 "[ . 1]" 3
29 1 114 ASN H 1 116 TYR H 5.000 . 6.000 5.446 4.711 6.008 0.008 10 0 "[ . 1]" 3
30 1 67 ALA H 1 70 GLY H 4.000 . 4.500 3.836 2.812 4.570 0.070 9 0 "[ . 1]" 3
31 1 7 PHE HA 1 9 ARG H 5.000 . 5.500 4.306 3.522 5.516 0.016 2 0 "[ . 1]" 3
32 1 10 ALA HA 1 12 LEU H 5.000 . 5.500 3.671 3.221 4.296 . 0 0 "[ . 1]" 3
33 1 11 GLN HA 1 13 SER H 5.000 . 5.500 4.558 4.288 4.966 . 0 0 "[ . 1]" 3
34 1 12 LEU HA 1 14 GLU H 5.000 . 5.500 4.627 4.379 4.872 . 0 0 "[ . 1]" 3
35 1 13 SER HA 1 15 ALA H 5.000 . 5.500 4.147 4.082 4.232 . 0 0 "[ . 1]" 3
36 1 14 GLU HA 1 16 MET H 5.000 . 5.500 4.814 4.656 4.902 . 0 0 "[ . 1]" 3
37 1 15 ALA HA 1 17 THR H 5.000 . 5.500 4.401 4.167 4.724 . 0 0 "[ . 1]" 3
38 1 17 THR HA 1 19 ALA H 5.000 . 5.500 4.262 4.148 4.602 . 0 0 "[ . 1]" 3
39 1 20 SER HA 1 22 LEU H 5.000 2.800 5.000 4.165 3.974 4.614 . 0 0 "[ . 1]" 3
40 1 21 GLY QA 1 23 LYS H 5.000 2.800 5.500 4.162 3.745 4.431 . 0 0 "[ . 1]" 3
41 1 22 LEU HA 1 24 THR H 5.000 . 5.500 4.455 4.300 4.806 . 0 0 "[ . 1]" 3
42 1 24 THR HA 1 26 VAL H 5.000 . 5.500 4.865 4.713 5.245 . 0 0 "[ . 1]" 3
43 1 26 VAL HA 1 28 ASP H 5.000 . 5.500 4.003 3.885 4.102 . 0 0 "[ . 1]" 3
44 1 29 ILE HA 1 31 SER H 5.000 . 5.500 4.269 4.047 4.509 . 0 0 "[ . 1]" 3
45 1 30 PHE HA 1 32 GLN H 5.000 . 5.500 4.083 3.762 4.707 . 0 0 "[ . 1]" 3
46 1 32 GLN HA 1 34 GLY H 5.000 . 5.500 4.575 4.097 4.925 . 0 0 "[ . 1]" 3
47 1 31 SER HA 1 33 ASP H 5.000 . 5.500 5.200 4.758 5.491 . 0 0 "[ . 1]" 3
48 1 33 ASP HA 1 35 SER H 5.000 . 5.500 4.590 4.330 4.968 . 0 0 "[ . 1]" 3
49 1 39 ASN HA 1 41 ALA H 3.000 . 3.500 3.520 3.472 3.538 0.038 10 0 "[ . 1]" 3
50 1 43 THR HA 1 45 GLY H 5.000 . 5.500 4.383 4.020 4.959 . 0 0 "[ . 1]" 3
51 1 54 GLY HA3 1 56 TYR H 5.000 . 5.500 3.864 3.210 4.206 . 0 0 "[ . 1]" 3
52 1 54 GLY HA2 1 56 TYR H 5.000 . 5.500 4.450 4.178 4.675 . 0 0 "[ . 1]" 3
53 1 97 GLY HA3 1 99 ALA H 4.000 . 4.500 4.470 3.861 4.641 0.141 5 0 "[ . 1]" 3
54 1 97 GLY HA2 1 99 ALA H 4.000 . 4.500 3.472 3.294 4.554 0.054 9 0 "[ . 1]" 3
55 1 99 ALA HA 1 101 LYS H 4.000 . 4.500 4.344 3.276 4.544 0.044 3 0 "[ . 1]" 3
56 1 100 ASP HA 1 102 GLY H 5.000 . 5.500 4.601 3.937 5.308 . 0 0 "[ . 1]" 3
57 1 110 SER HA 1 112 ALA H 4.000 . 4.500 4.501 4.375 4.547 0.047 2 0 "[ . 1]" 3
58 1 112 ALA HA 1 114 ASN H 5.000 . 5.500 5.097 3.737 5.519 0.019 3 0 "[ . 1]" 3
59 1 114 ASN HA 1 116 TYR H 4.000 . 4.500 3.490 3.227 4.188 . 0 0 "[ . 1]" 3
60 1 11 GLN HA 1 14 GLU H 4.000 . 4.500 3.550 3.382 4.052 . 0 0 "[ . 1]" 3
61 1 12 LEU HA 1 15 ALA H 4.000 . 4.500 3.533 3.434 3.703 . 0 0 "[ . 1]" 3
62 1 13 SER HA 1 16 MET H 4.000 . 4.500 3.811 3.615 3.972 . 0 0 "[ . 1]" 3
63 1 14 GLU HA 1 17 THR H 4.000 . 4.500 3.482 3.401 3.574 . 0 0 "[ . 1]" 3
64 1 15 ALA HA 1 18 LEU H 4.000 . 4.500 3.630 3.462 3.875 . 0 0 "[ . 1]" 3
65 1 19 ALA HA 1 22 LEU H 4.000 . 4.500 3.535 3.384 3.907 . 0 0 "[ . 1]" 3
66 1 20 SER HA 1 23 LYS H 4.000 . 4.500 3.590 3.308 3.933 . 0 0 "[ . 1]" 3
67 1 22 LEU HA 1 25 LYS H 4.000 . 4.500 3.374 3.196 3.473 . 0 0 "[ . 1]" 3
68 1 23 LYS HA 1 26 VAL H 4.000 . 4.500 3.790 3.621 3.936 . 0 0 "[ . 1]" 3
69 1 26 VAL HA 1 29 ILE H 4.000 . 4.500 3.099 2.973 3.421 . 0 0 "[ . 1]" 3
70 1 28 ASP HA 1 31 SER H 4.000 . 4.500 3.125 2.948 3.300 . 0 0 "[ . 1]" 3
71 1 29 ILE HA 1 32 GLN H 4.000 . 4.500 3.620 3.283 3.928 . 0 0 "[ . 1]" 3
72 1 30 PHE HA 1 33 ASP H 4.000 . 4.500 4.521 4.089 4.614 0.114 1 0 "[ . 1]" 3
73 1 54 GLY HA3 1 57 VAL H 4.000 . 5.500 3.219 3.119 3.441 . 0 0 "[ . 1]" 3
74 1 54 GLY HA2 1 57 VAL H 4.000 . 4.500 4.492 4.305 4.567 0.067 10 0 "[ . 1]" 3
75 1 85 THR HA 1 88 ARG H 5.000 . 5.500 5.321 4.372 5.575 0.075 3 0 "[ . 1]" 3
76 1 11 GLN HA 1 15 ALA H 5.000 . 5.500 3.994 3.708 4.374 . 0 0 "[ . 1]" 3
77 1 12 LEU HA 1 16 MET H 5.000 . 5.500 4.400 4.121 4.621 . 0 0 "[ . 1]" 3
78 1 13 SER HA 1 17 THR H 5.000 . 5.500 4.250 3.891 4.511 . 0 0 "[ . 1]" 3
79 1 14 GLU HA 1 18 LEU H 5.000 . 5.500 3.756 3.396 4.237 . 0 0 "[ . 1]" 3
80 1 15 ALA HA 1 19 ALA H 5.000 . 5.500 4.283 3.809 4.596 . 0 0 "[ . 1]" 3
81 1 16 MET HA 1 20 SER H 5.000 . 5.500 4.282 3.650 4.528 . 0 0 "[ . 1]" 3
82 1 17 THR HA 1 21 GLY H 5.000 . 5.500 4.344 3.885 4.688 . 0 0 "[ . 1]" 3
83 1 18 LEU HA 1 22 LEU H 5.000 . 5.500 3.993 3.477 4.224 . 0 0 "[ . 1]" 3
84 1 19 ALA HA 1 23 LYS H 5.000 . 5.500 4.428 4.107 4.757 . 0 0 "[ . 1]" 3
85 1 20 SER HA 1 24 THR H 5.000 . 5.500 4.495 4.246 4.712 . 0 0 "[ . 1]" 3
86 1 22 LEU HA 1 26 VAL H 5.000 . 5.500 3.826 3.407 4.337 . 0 0 "[ . 1]" 3
87 1 23 LYS HA 1 27 SER H 5.000 . 5.500 4.103 3.530 4.627 . 0 0 "[ . 1]" 3
88 1 25 LYS HA 1 29 ILE H 5.000 . 5.500 4.712 4.561 5.124 . 0 0 "[ . 1]" 3
89 1 26 VAL HA 1 30 PHE H 5.000 . 5.500 4.599 4.443 4.746 . 0 0 "[ . 1]" 3
90 1 27 SER HA 1 31 SER H 5.000 . 5.500 4.466 4.331 4.724 . 0 0 "[ . 1]" 3
91 1 28 ASP HA 1 32 GLN H 5.000 . 5.500 3.860 3.245 4.363 . 0 0 "[ . 1]" 3
92 1 29 ILE HA 1 33 ASP H 5.000 . 5.500 5.188 4.326 5.618 0.118 6 0 "[ . 1]" 3
93 1 30 PHE HA 1 34 GLY H 5.000 . 5.500 4.112 3.512 4.893 . 0 0 "[ . 1]" 3
94 1 39 ASN HA 1 43 THR H 5.000 . 5.500 5.530 5.456 5.601 0.101 6 0 "[ . 1]" 3
95 1 15 ALA MB 1 17 THR H 4.000 . 5.000 4.177 4.152 4.199 . 0 0 "[ . 1]" 3
96 1 33 ASP HB3 1 35 SER H 4.000 . 4.500 3.607 3.065 4.143 . 0 0 "[ . 1]" 3
97 1 33 ASP HB2 1 35 SER H 4.000 . 4.500 3.129 2.932 3.442 . 0 0 "[ . 1]" 3
98 1 79 LYS QB 1 81 SER H 4.000 . 5.200 4.621 4.299 4.720 . 0 0 "[ . 1]" 3
99 1 99 ALA MB 1 101 LYS H 5.000 . 6.000 3.251 2.693 4.379 . 0 0 "[ . 1]" 3
100 1 23 LYS HA 1 26 VAL HB 4.000 . 4.500 3.815 2.827 4.505 0.005 9 0 "[ . 1]" 3
101 1 29 ILE HA 1 32 GLN QB 4.000 . 4.500 3.789 3.361 4.014 . 0 0 "[ . 1]" 3
102 1 27 SER HA 1 30 PHE QD 5.000 . 5.500 4.843 4.615 4.931 . 0 0 "[ . 1]" 3
103 1 30 PHE QB 1 35 SER H 5.000 . 6.000 5.224 4.830 5.354 . 0 0 "[ . 1]" 3
104 1 30 PHE QD 1 34 GLY H 5.000 . 6.000 4.982 4.487 5.377 . 0 0 "[ . 1]" 3
105 1 30 PHE QD 1 35 SER H 5.000 . 6.000 4.254 3.452 4.747 . 0 0 "[ . 1]" 3
106 1 43 THR H 1 46 ILE HB 3.000 . 3.500 3.523 3.503 3.538 0.038 2 0 "[ . 1]" 3
107 1 43 THR H 1 46 ILE MG 5.000 . 6.000 4.719 4.339 4.942 . 0 0 "[ . 1]" 3
108 1 46 ILE QG 1 48 LYS H 5.000 . 6.000 5.028 4.285 5.384 . 0 0 "[ . 1]" 3
109 1 51 ASP HA 1 53 ASN HD22 3.000 . 3.500 3.264 2.473 3.526 0.026 6 0 "[ . 1]" 3
110 1 51 ASP HA 1 53 ASN HD21 3.000 . 3.500 3.193 2.588 3.532 0.032 1 0 "[ . 1]" 3
111 1 67 ALA H 1 70 GLY QA 5.000 . 6.000 4.651 3.526 5.245 . 0 0 "[ . 1]" 3
112 1 96 LEU MD2 1 99 ALA H 5.000 . 6.000 3.903 3.012 4.255 . 0 0 "[ . 1]" 3
113 1 99 ALA H 1 104 TYR HA 5.000 . 5.500 5.021 3.386 5.598 0.098 5 0 "[ . 1]" 3
114 1 99 ALA MB 1 104 TYR H 5.000 . 6.000 4.669 2.842 5.341 . 0 0 "[ . 1]" 3
115 1 104 TYR HB3 1 106 TRP HE1 4.000 . 4.500 3.138 2.694 3.567 . 0 0 "[ . 1]" 3
116 1 104 TYR HB2 1 106 TRP HE1 4.000 . 4.500 3.973 2.796 4.532 0.032 2 0 "[ . 1]" 3
117 1 110 SER HG 1 112 ALA H 2.400 . 2.900 2.452 1.971 2.920 0.020 9 0 "[ . 1]" 3
118 1 110 SER HB3 1 112 ALA H 3.000 . 4.500 3.848 3.205 4.095 . 0 0 "[ . 1]" 3
119 1 110 SER HB2 1 112 ALA H 3.000 . 4.700 4.731 4.697 4.758 0.058 7 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 301
_Distance_constraint_stats_list.Viol_count 64
_Distance_constraint_stats_list.Viol_total 29.487
_Distance_constraint_stats_list.Viol_max 0.170
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0461
_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 3 GLU 0.000 0.000 . 0 "[ . 1]"
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 10 ALA 0.000 0.000 . 0 "[ . 1]"
1 11 GLN 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 0.000 0.000 . 0 "[ . 1]"
1 13 SER 0.000 0.000 . 0 "[ . 1]"
1 14 GLU 0.000 0.000 . 0 "[ . 1]"
1 15 ALA 0.000 0.000 . 0 "[ . 1]"
1 16 MET 0.000 0.000 . 0 "[ . 1]"
1 17 THR 0.000 0.000 . 0 "[ . 1]"
1 18 LEU 0.000 0.000 . 0 "[ . 1]"
1 19 ALA 0.000 0.000 . 0 "[ . 1]"
1 20 SER 0.064 0.017 7 0 "[ . 1]"
1 21 GLY 0.000 0.000 . 0 "[ . 1]"
1 22 LEU 0.000 0.000 . 0 "[ . 1]"
1 23 LYS 0.000 0.000 . 0 "[ . 1]"
1 24 THR 0.000 0.000 . 0 "[ . 1]"
1 25 LYS 0.000 0.000 . 0 "[ . 1]"
1 26 VAL 0.000 0.000 . 0 "[ . 1]"
1 28 ASP 0.000 0.000 . 0 "[ . 1]"
1 29 ILE 0.000 0.000 . 0 "[ . 1]"
1 30 PHE 0.000 0.000 . 0 "[ . 1]"
1 31 SER 0.000 0.000 . 0 "[ . 1]"
1 32 GLN 0.074 0.057 6 0 "[ . 1]"
1 33 ASP 0.000 0.000 . 0 "[ . 1]"
1 34 GLY 0.000 0.000 . 0 "[ . 1]"
1 35 SER 0.000 0.000 . 0 "[ . 1]"
1 36 CYS 0.000 0.000 . 0 "[ . 1]"
1 38 ALA 0.000 0.000 . 0 "[ . 1]"
1 39 ASN 0.000 0.000 . 0 "[ . 1]"
1 40 THR 0.000 0.000 . 0 "[ . 1]"
1 41 ALA 0.000 0.000 . 0 "[ . 1]"
1 42 ALA 0.000 0.000 . 0 "[ . 1]"
1 43 THR 0.000 0.000 . 0 "[ . 1]"
1 44 ALA 0.000 0.000 . 0 "[ . 1]"
1 45 GLY 0.000 0.000 . 0 "[ . 1]"
1 46 ILE 0.216 0.081 2 0 "[ . 1]"
1 47 GLU 0.290 0.170 7 0 "[ . 1]"
1 48 LYS 0.000 0.000 . 0 "[ . 1]"
1 49 ASP 0.000 0.000 . 0 "[ . 1]"
1 50 THR 0.000 0.000 . 0 "[ . 1]"
1 51 ASP 0.000 0.000 . 0 "[ . 1]"
1 52 ILE 0.241 0.088 6 0 "[ . 1]"
1 53 ASN 0.000 0.000 . 0 "[ . 1]"
1 54 GLY 0.000 0.000 . 0 "[ . 1]"
1 55 LYS 0.000 0.000 . 0 "[ . 1]"
1 56 TYR 0.000 0.000 . 0 "[ . 1]"
1 57 VAL 0.010 0.010 1 0 "[ . 1]"
1 58 ALA 0.000 0.000 . 0 "[ . 1]"
1 59 LYS 0.000 0.000 . 0 "[ . 1]"
1 60 VAL 0.000 0.000 . 0 "[ . 1]"
1 61 THR 0.000 0.000 . 0 "[ . 1]"
1 62 THR 0.000 0.000 . 0 "[ . 1]"
1 63 GLY 0.000 0.000 . 0 "[ . 1]"
1 64 GLY 0.000 0.000 . 0 "[ . 1]"
1 65 THR 0.000 0.000 . 0 "[ . 1]"
1 67 ALA 0.000 0.000 . 0 "[ . 1]"
1 68 ALA 0.000 0.000 . 0 "[ . 1]"
1 69 SER 0.018 0.011 9 0 "[ . 1]"
1 70 GLY 0.000 0.000 . 0 "[ . 1]"
1 71 GLY 0.000 0.000 . 0 "[ . 1]"
1 72 CYS 0.000 0.000 . 0 "[ . 1]"
1 73 THR 0.000 0.000 . 0 "[ . 1]"
1 74 ILE 0.000 0.000 . 0 "[ . 1]"
1 75 VAL 0.000 0.000 . 0 "[ . 1]"
1 76 ALA 0.000 0.000 . 0 "[ . 1]"
1 77 THR 0.000 0.000 . 0 "[ . 1]"
1 78 MET 0.000 0.000 . 0 "[ . 1]"
1 79 LYS 0.000 0.000 . 0 "[ . 1]"
1 80 ALA 0.000 0.000 . 0 "[ . 1]"
1 81 SER 0.000 0.000 . 0 "[ . 1]"
1 82 ASP 0.000 0.000 . 0 "[ . 1]"
1 83 VAL 0.000 0.000 . 0 "[ . 1]"
1 84 ALA 0.000 0.000 . 0 "[ . 1]"
1 85 THR 0.144 0.048 1 0 "[ . 1]"
1 87 LEU 0.120 0.120 6 0 "[ . 1]"
1 88 ARG 0.000 0.000 . 0 "[ . 1]"
1 89 GLY 0.000 0.000 . 0 "[ . 1]"
1 90 LYS 0.000 0.000 . 0 "[ . 1]"
1 91 THR 0.000 0.000 . 0 "[ . 1]"
1 92 LEU 0.000 0.000 . 0 "[ . 1]"
1 93 THR 0.000 0.000 . 0 "[ . 1]"
1 94 LEU 0.302 0.102 7 0 "[ . 1]"
1 95 THR 0.000 0.000 . 0 "[ . 1]"
1 96 LEU 0.207 0.062 1 0 "[ . 1]"
1 98 ASN 0.000 0.000 . 0 "[ . 1]"
1 99 ALA 0.000 0.000 . 0 "[ . 1]"
1 100 ASP 0.000 0.000 . 0 "[ . 1]"
1 101 LYS 0.000 0.000 . 0 "[ . 1]"
1 102 GLY 0.000 0.000 . 0 "[ . 1]"
1 103 SER 0.123 0.076 5 0 "[ . 1]"
1 104 TYR 0.000 0.000 . 0 "[ . 1]"
1 105 THR 0.000 0.000 . 0 "[ . 1]"
1 106 TRP 0.924 0.161 5 0 "[ . 1]"
1 107 ALA 0.000 0.000 . 0 "[ . 1]"
1 108 CYS 0.000 0.000 . 0 "[ . 1]"
1 109 THR 0.000 0.000 . 0 "[ . 1]"
1 110 SER 0.000 0.000 . 0 "[ . 1]"
1 111 ASN 0.000 0.000 . 0 "[ . 1]"
1 112 ALA 0.000 0.000 . 0 "[ . 1]"
1 113 ASP 0.000 0.000 . 0 "[ . 1]"
1 114 ASN 0.214 0.133 3 0 "[ . 1]"
1 115 LYS 0.002 0.002 10 0 "[ . 1]"
1 116 TYR 0.000 0.000 . 0 "[ . 1]"
1 121 CYS 0.000 0.000 . 0 "[ . 1]"
1 122 GLN 0.000 0.000 . 0 "[ . 1]"
1 123 THR 0.000 0.000 . 0 "[ . 1]"
1 124 ALA 0.000 0.000 . 0 "[ . 1]"
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 GLU H 1 3 GLU HA 3.000 . 3.500 2.734 2.291 2.961 . 0 0 "[ . 1]" 4
2 1 4 GLY H 1 4 GLY HA3 3.000 . 3.500 2.666 2.323 2.948 . 0 0 "[ . 1]" 4
3 1 4 GLY H 1 4 GLY HA2 3.000 . 3.500 2.683 2.315 2.965 . 0 0 "[ . 1]" 4
4 1 10 ALA H 1 10 ALA HA 3.000 . 3.500 2.857 2.811 2.876 . 0 0 "[ . 1]" 4
5 1 11 GLN H 1 11 GLN HA 3.000 . 3.500 2.818 2.778 2.875 . 0 0 "[ . 1]" 4
6 1 12 LEU H 1 12 LEU HA 3.000 . 3.500 2.839 2.808 2.877 . 0 0 "[ . 1]" 4
7 1 13 SER H 1 13 SER HA 3.000 . 3.500 2.831 2.812 2.861 . 0 0 "[ . 1]" 4
8 1 14 GLU H 1 14 GLU HA 3.000 . 3.500 2.831 2.800 2.868 . 0 0 "[ . 1]" 4
9 1 15 ALA H 1 15 ALA HA 3.000 . 3.500 2.815 2.808 2.823 . 0 0 "[ . 1]" 4
10 1 16 MET H 1 16 MET HA 3.000 . 3.500 2.824 2.803 2.883 . 0 0 "[ . 1]" 4
11 1 17 THR H 1 17 THR HA 3.000 . 3.500 2.841 2.815 2.876 . 0 0 "[ . 1]" 4
12 1 18 LEU H 1 18 LEU HA 3.000 . 3.500 2.854 2.824 2.877 . 0 0 "[ . 1]" 4
13 1 19 ALA H 1 19 ALA HA 3.000 . 3.500 2.814 2.801 2.829 . 0 0 "[ . 1]" 4
14 1 20 SER H 1 20 SER HA 3.000 . 3.500 2.829 2.814 2.859 . 0 0 "[ . 1]" 4
15 1 21 GLY H 1 21 GLY QA 2.400 . 3.400 2.213 2.206 2.222 . 0 0 "[ . 1]" 4
16 1 22 LEU H 1 22 LEU HA 3.000 . 3.500 2.846 2.810 2.875 . 0 0 "[ . 1]" 4
17 1 23 LYS H 1 23 LYS HA 3.000 . 3.500 2.817 2.800 2.849 . 0 0 "[ . 1]" 4
18 1 24 THR H 1 24 THR HA 3.000 . 3.500 2.856 2.819 2.883 . 0 0 "[ . 1]" 4
19 1 25 LYS H 1 25 LYS HA 3.000 . 3.500 2.854 2.813 2.902 . 0 0 "[ . 1]" 4
20 1 26 VAL H 1 26 VAL HA 3.000 . 3.500 2.798 2.760 2.824 . 0 0 "[ . 1]" 4
21 1 28 ASP H 1 28 ASP HA 3.000 . 3.500 2.875 2.871 2.878 . 0 0 "[ . 1]" 4
22 1 29 ILE H 1 29 ILE HA 3.000 . 3.500 2.800 2.750 2.811 . 0 0 "[ . 1]" 4
23 1 30 PHE H 1 30 PHE HA 3.000 . 3.500 2.893 2.833 2.940 . 0 0 "[ . 1]" 4
24 1 31 SER H 1 31 SER HA 3.000 . 3.500 2.865 2.821 2.915 . 0 0 "[ . 1]" 4
25 1 32 GLN H 1 32 GLN HA 3.000 . 3.500 2.774 2.744 2.799 . 0 0 "[ . 1]" 4
26 1 33 ASP H 1 33 ASP HA 3.000 . 3.500 2.927 2.920 2.938 . 0 0 "[ . 1]" 4
27 1 34 GLY H 1 34 GLY HA3 3.000 . 3.500 2.889 2.781 2.958 . 0 0 "[ . 1]" 4
28 1 34 GLY H 1 34 GLY HA2 3.000 . 3.500 2.361 2.306 2.441 . 0 0 "[ . 1]" 4
29 1 35 SER H 1 35 SER HA 3.000 . 3.500 2.899 2.893 2.913 . 0 0 "[ . 1]" 4
30 1 36 CYS H 1 36 CYS HA 3.000 . 3.500 2.956 2.945 2.964 . 0 0 "[ . 1]" 4
31 1 38 ALA H 1 38 ALA HA 3.000 . 3.500 2.941 2.881 2.962 . 0 0 "[ . 1]" 4
32 1 39 ASN H 1 39 ASN HA 3.000 . 3.500 2.797 2.311 2.868 . 0 0 "[ . 1]" 4
33 1 40 THR H 1 40 THR HA 3.000 . 3.500 2.941 2.881 2.957 . 0 0 "[ . 1]" 4
34 1 41 ALA H 1 41 ALA HA 3.000 . 3.500 2.939 2.897 2.961 . 0 0 "[ . 1]" 4
35 1 43 THR H 1 43 THR HA 3.000 . 3.500 2.365 2.296 2.958 . 0 0 "[ . 1]" 4
36 1 44 ALA H 1 44 ALA HA 3.000 . 3.500 2.933 2.844 2.961 . 0 0 "[ . 1]" 4
37 1 45 GLY H 1 45 GLY HA3 3.000 . 3.500 2.534 2.304 2.789 . 0 0 "[ . 1]" 4
38 1 45 GLY H 1 45 GLY HA2 3.000 . 3.500 2.924 2.798 2.965 . 0 0 "[ . 1]" 4
39 1 46 ILE H 1 46 ILE HA 3.000 . 3.500 2.910 2.845 2.962 . 0 0 "[ . 1]" 4
40 1 47 GLU H 1 47 GLU HA 3.000 . 3.500 2.759 2.298 2.963 . 0 0 "[ . 1]" 4
41 1 48 LYS H 1 48 LYS HA 3.000 . 3.500 2.886 2.815 2.953 . 0 0 "[ . 1]" 4
42 1 49 ASP H 1 49 ASP HA 3.000 . 3.500 2.828 2.801 2.941 . 0 0 "[ . 1]" 4
43 1 50 THR H 1 50 THR HA 3.000 . 3.500 2.911 2.888 2.961 . 0 0 "[ . 1]" 4
44 1 51 ASP H 1 51 ASP HA 3.000 . 3.500 2.902 2.806 2.943 . 0 0 "[ . 1]" 4
45 1 52 ILE H 1 52 ILE HA 3.000 . 3.500 2.666 2.305 2.844 . 0 0 "[ . 1]" 4
46 1 53 ASN H 1 53 ASN HA 3.000 . 3.500 2.948 2.912 2.962 . 0 0 "[ . 1]" 4
47 1 54 GLY H 1 54 GLY HA3 3.000 . 3.500 2.708 2.305 2.962 . 0 0 "[ . 1]" 4
48 1 54 GLY H 1 54 GLY HA2 3.000 . 3.500 2.641 2.352 2.944 . 0 0 "[ . 1]" 4
49 1 55 LYS H 1 55 LYS HA 3.000 . 3.500 2.700 2.290 2.918 . 0 0 "[ . 1]" 4
50 1 56 TYR H 1 56 TYR HA 3.000 . 3.500 2.659 2.298 2.933 . 0 0 "[ . 1]" 4
51 1 57 VAL H 1 57 VAL HA 3.000 . 3.500 2.935 2.910 2.955 . 0 0 "[ . 1]" 4
52 1 58 ALA H 1 58 ALA HA 3.000 . 3.500 2.872 2.858 2.882 . 0 0 "[ . 1]" 4
53 1 60 VAL H 1 60 VAL HA 3.000 . 3.500 2.956 2.922 2.968 . 0 0 "[ . 1]" 4
54 1 61 THR H 1 61 THR HA 3.000 . 3.500 2.905 2.890 2.963 . 0 0 "[ . 1]" 4
55 1 62 THR H 1 62 THR HA 3.000 . 3.500 2.913 2.910 2.917 . 0 0 "[ . 1]" 4
56 1 63 GLY H 1 63 GLY HA3 3.000 . 3.500 2.799 2.746 2.902 . 0 0 "[ . 1]" 4
57 1 63 GLY H 1 63 GLY HA2 3.000 . 3.500 2.818 2.694 2.869 . 0 0 "[ . 1]" 4
58 1 64 GLY H 1 64 GLY HA3 3.000 . 3.500 2.954 2.916 2.965 . 0 0 "[ . 1]" 4
59 1 64 GLY H 1 64 GLY HA2 3.000 . 3.500 2.536 2.434 2.679 . 0 0 "[ . 1]" 4
60 1 65 THR H 1 65 THR HA 3.000 . 3.500 2.915 2.912 2.918 . 0 0 "[ . 1]" 4
61 1 67 ALA H 1 67 ALA HA 3.000 . 3.500 2.707 2.304 2.798 . 0 0 "[ . 1]" 4
62 1 68 ALA H 1 68 ALA HA 3.000 . 3.500 2.402 2.298 2.833 . 0 0 "[ . 1]" 4
63 1 69 SER H 1 69 SER HA 3.000 . 3.500 2.918 2.844 2.956 . 0 0 "[ . 1]" 4
64 1 70 GLY H 1 70 GLY HA3 3.000 . 3.500 2.743 2.352 2.929 . 0 0 "[ . 1]" 4
65 1 70 GLY H 1 70 GLY HA2 3.000 . 3.500 2.384 2.300 2.708 . 0 0 "[ . 1]" 4
66 1 71 GLY H 1 71 GLY HA3 3.000 . 3.500 2.714 2.701 2.723 . 0 0 "[ . 1]" 4
67 1 71 GLY H 1 71 GLY HA2 3.000 . 3.500 2.894 2.887 2.897 . 0 0 "[ . 1]" 4
68 1 72 CYS H 1 72 CYS HA 3.000 . 3.500 2.950 2.936 2.967 . 0 0 "[ . 1]" 4
69 1 73 THR H 1 73 THR HA 3.000 . 3.500 2.941 2.929 2.961 . 0 0 "[ . 1]" 4
70 1 74 ILE H 1 74 ILE HA 3.000 . 3.500 2.923 2.892 2.947 . 0 0 "[ . 1]" 4
71 1 75 VAL H 1 75 VAL HA 3.000 . 3.500 2.961 2.956 2.966 . 0 0 "[ . 1]" 4
72 1 76 ALA H 1 76 ALA HA 3.000 . 3.500 2.953 2.934 2.962 . 0 0 "[ . 1]" 4
73 1 77 THR H 1 77 THR HA 3.000 . 3.500 2.940 2.914 2.958 . 0 0 "[ . 1]" 4
74 1 78 MET H 1 78 MET HA 3.000 . 3.500 2.955 2.935 2.968 . 0 0 "[ . 1]" 4
75 1 79 LYS H 1 79 LYS HA 3.000 . 3.500 2.964 2.953 2.971 . 0 0 "[ . 1]" 4
76 1 80 ALA H 1 80 ALA HA 3.000 . 3.500 2.303 2.295 2.313 . 0 0 "[ . 1]" 4
77 1 81 SER H 1 81 SER HA 3.000 . 3.500 2.896 2.886 2.916 . 0 0 "[ . 1]" 4
78 1 82 ASP H 1 82 ASP HA 3.000 . 3.500 2.884 2.842 2.957 . 0 0 "[ . 1]" 4
79 1 83 VAL H 1 83 VAL HA 3.000 . 3.500 2.881 2.779 2.961 . 0 0 "[ . 1]" 4
80 1 84 ALA H 1 84 ALA HA 3.000 . 3.500 2.606 2.300 2.857 . 0 0 "[ . 1]" 4
81 1 85 THR H 1 85 THR HA 3.000 . 3.500 2.450 2.280 2.880 . 0 0 "[ . 1]" 4
82 1 87 LEU H 1 87 LEU HA 3.000 . 3.500 2.810 2.773 2.933 . 0 0 "[ . 1]" 4
83 1 89 GLY H 1 89 GLY HA3 3.000 . 3.500 2.371 2.294 2.966 . 0 0 "[ . 1]" 4
84 1 89 GLY H 1 89 GLY HA2 3.000 . 3.500 2.793 2.483 2.861 . 0 0 "[ . 1]" 4
85 1 90 LYS H 1 90 LYS HA 3.000 . 3.500 2.473 2.291 2.803 . 0 0 "[ . 1]" 4
86 1 91 THR H 1 91 THR HA 3.000 . 3.500 2.958 2.941 2.970 . 0 0 "[ . 1]" 4
87 1 92 LEU H 1 92 LEU HA 3.000 . 3.500 2.920 2.887 2.939 . 0 0 "[ . 1]" 4
88 1 93 THR H 1 93 THR HA 3.000 . 3.500 2.937 2.913 2.963 . 0 0 "[ . 1]" 4
89 1 94 LEU H 1 94 LEU HA 3.000 . 3.500 2.946 2.890 2.968 . 0 0 "[ . 1]" 4
90 1 95 THR H 1 95 THR HA 3.000 . 3.500 2.933 2.891 2.965 . 0 0 "[ . 1]" 4
91 1 96 LEU H 1 96 LEU HA 3.000 . 3.500 2.955 2.915 2.966 . 0 0 "[ . 1]" 4
92 1 98 ASN H 1 98 ASN HA 3.000 . 3.500 2.898 2.879 2.956 . 0 0 "[ . 1]" 4
93 1 99 ALA H 1 99 ALA HA 3.000 . 3.500 2.369 2.289 2.954 . 0 0 "[ . 1]" 4
94 1 100 ASP H 1 100 ASP HA 3.000 . 3.500 2.349 2.276 2.867 . 0 0 "[ . 1]" 4
95 1 101 LYS H 1 101 LYS HA 3.000 . 3.500 2.822 2.296 2.958 . 0 0 "[ . 1]" 4
96 1 102 GLY H 1 102 GLY HA3 3.000 . 3.500 2.488 2.303 2.754 . 0 0 "[ . 1]" 4
97 1 102 GLY H 1 102 GLY HA2 3.000 . 3.500 2.928 2.798 2.965 . 0 0 "[ . 1]" 4
98 1 103 SER H 1 103 SER HA 3.000 . 3.500 2.749 2.265 2.913 . 0 0 "[ . 1]" 4
99 1 104 TYR H 1 104 TYR HA 3.000 . 3.500 2.339 2.283 2.774 . 0 0 "[ . 1]" 4
100 1 106 TRP H 1 106 TRP HA 3.000 . 3.500 2.952 2.923 2.962 . 0 0 "[ . 1]" 4
101 1 107 ALA H 1 107 ALA HA 3.000 . 3.500 2.945 2.906 2.964 . 0 0 "[ . 1]" 4
102 1 110 SER H 1 110 SER HA 3.000 . 3.500 2.896 2.873 2.938 . 0 0 "[ . 1]" 4
103 1 111 ASN H 1 111 ASN HA 3.000 . 3.500 2.946 2.913 2.957 . 0 0 "[ . 1]" 4
104 1 112 ALA H 1 112 ALA HA 3.000 . 3.500 2.924 2.829 2.958 . 0 0 "[ . 1]" 4
105 1 113 ASP H 1 113 ASP HA 3.000 . 3.500 2.469 2.297 2.937 . 0 0 "[ . 1]" 4
106 1 114 ASN H 1 114 ASN HA 3.000 . 3.500 2.842 2.299 2.961 . 0 0 "[ . 1]" 4
107 1 115 LYS H 1 115 LYS HA 3.000 . 3.500 2.911 2.813 2.961 . 0 0 "[ . 1]" 4
108 1 116 TYR H 1 116 TYR HA 3.000 . 3.500 2.924 2.888 2.963 . 0 0 "[ . 1]" 4
109 1 121 CYS H 1 121 CYS HA 3.000 . 3.500 2.921 2.891 2.960 . 0 0 "[ . 1]" 4
110 1 122 GLN H 1 122 GLN HA 3.000 . 3.500 2.929 2.921 2.953 . 0 0 "[ . 1]" 4
111 1 123 THR H 1 123 THR HA 3.000 . 3.500 2.918 2.804 2.961 . 0 0 "[ . 1]" 4
112 1 124 ALA H 1 124 ALA HA 3.000 . 3.500 2.778 2.296 2.944 . 0 0 "[ . 1]" 4
113 1 3 GLU H 1 3 GLU HB3 4.000 . 4.500 3.798 3.539 4.121 . 0 0 "[ . 1]" 4
114 1 3 GLU H 1 3 GLU HB2 3.000 . 3.500 2.767 2.247 3.457 . 0 0 "[ . 1]" 4
115 1 10 ALA H 1 10 ALA MB 2.400 . 3.400 2.212 2.170 2.265 . 0 0 "[ . 1]" 4
116 1 11 GLN H 1 11 GLN HB3 4.000 . 4.500 2.795 2.596 3.520 . 0 0 "[ . 1]" 4
117 1 11 GLN H 1 11 GLN HB2 4.000 . 4.500 2.497 2.217 3.605 . 0 0 "[ . 1]" 4
118 1 12 LEU H 1 12 LEU HB3 3.000 . 3.500 2.812 2.674 2.899 . 0 0 "[ . 1]" 4
119 1 12 LEU H 1 12 LEU HB2 3.000 . 3.500 2.273 2.197 2.410 . 0 0 "[ . 1]" 4
120 1 14 GLU H 1 14 GLU HB3 3.000 . 3.500 2.803 2.644 2.928 . 0 0 "[ . 1]" 4
121 1 14 GLU H 1 14 GLU HB2 3.000 . 3.500 2.334 2.226 2.492 . 0 0 "[ . 1]" 4
122 1 15 ALA H 1 15 ALA MB 2.400 . 3.400 2.224 2.140 2.248 . 0 0 "[ . 1]" 4
123 1 16 MET H 1 16 MET QB 3.000 . 4.000 2.605 2.537 2.691 . 0 0 "[ . 1]" 4
124 1 17 THR H 1 17 THR HB 3.000 . 3.700 2.641 2.594 2.696 . 0 0 "[ . 1]" 4
125 1 18 LEU H 1 18 LEU HB3 3.000 . 3.500 2.648 2.463 2.875 . 0 0 "[ . 1]" 4
126 1 18 LEU H 1 18 LEU HB2 3.000 . 3.500 2.427 2.232 2.623 . 0 0 "[ . 1]" 4
127 1 19 ALA H 1 19 ALA MB 2.400 . 3.400 2.222 2.189 2.250 . 0 0 "[ . 1]" 4
128 1 20 SER H 1 20 SER HB3 3.000 . 3.500 3.063 2.444 3.517 0.017 7 0 "[ . 1]" 4
129 1 20 SER H 1 20 SER HB2 3.000 . 3.500 2.721 2.204 3.509 0.009 2 0 "[ . 1]" 4
130 1 22 LEU H 1 22 LEU HB3 3.000 . 3.500 2.932 2.426 3.389 . 0 0 "[ . 1]" 4
131 1 22 LEU H 1 22 LEU HB2 3.000 . 3.500 2.247 2.069 2.621 . 0 0 "[ . 1]" 4
132 1 23 LYS H 1 23 LYS QB 2.400 . 3.400 2.472 2.202 2.646 . 0 0 "[ . 1]" 4
133 1 26 VAL H 1 26 VAL HB 2.400 . 2.900 2.552 2.474 2.672 . 0 0 "[ . 1]" 4
134 1 29 ILE H 1 29 ILE HB 3.000 . 3.500 2.573 2.445 2.635 . 0 0 "[ . 1]" 4
135 1 30 PHE H 1 30 PHE HB3 3.000 . 3.500 2.394 2.324 2.533 . 0 0 "[ . 1]" 4
136 1 30 PHE H 1 30 PHE HB2 3.000 . 3.500 2.856 2.694 3.067 . 0 0 "[ . 1]" 4
137 1 31 SER H 1 31 SER QB 3.000 . 4.000 2.303 2.176 2.499 . 0 0 "[ . 1]" 4
138 1 32 GLN H 1 32 GLN QB 3.000 . 4.000 2.679 2.426 2.885 . 0 0 "[ . 1]" 4
139 1 33 ASP H 1 33 ASP HB3 4.000 . 4.500 3.563 3.517 3.622 . 0 0 "[ . 1]" 4
140 1 33 ASP H 1 33 ASP HB2 4.000 . 4.500 2.297 2.246 2.387 . 0 0 "[ . 1]" 4
141 1 35 SER H 1 35 SER HB3 3.000 . 3.500 3.032 2.902 3.169 . 0 0 "[ . 1]" 4
142 1 35 SER H 1 35 SER HB2 3.000 . 3.500 3.268 3.135 3.363 . 0 0 "[ . 1]" 4
143 1 36 CYS H 1 36 CYS HB3 4.000 . 4.500 3.792 3.531 3.891 . 0 0 "[ . 1]" 4
144 1 36 CYS H 1 36 CYS HB2 3.000 . 3.500 2.727 2.364 2.959 . 0 0 "[ . 1]" 4
145 1 38 ALA H 1 38 ALA MB 3.000 . 4.000 2.473 2.174 2.617 . 0 0 "[ . 1]" 4
146 1 39 ASN H 1 39 ASN HB3 4.000 . 4.500 3.622 3.507 4.058 . 0 0 "[ . 1]" 4
147 1 39 ASN H 1 39 ASN HB2 3.000 . 3.500 2.477 2.196 3.205 . 0 0 "[ . 1]" 4
148 1 40 THR H 1 40 THR HB 3.000 . 4.000 3.408 2.891 3.713 . 0 0 "[ . 1]" 4
149 1 42 ALA H 1 42 ALA MB 3.000 . 4.000 2.298 2.125 2.425 . 0 0 "[ . 1]" 4
150 1 46 ILE H 1 46 ILE HB 3.000 . 3.700 2.793 2.542 3.096 . 0 0 "[ . 1]" 4
151 1 47 GLU H 1 47 GLU QB 3.000 . 4.000 2.783 2.410 3.273 . 0 0 "[ . 1]" 4
152 1 48 LYS H 1 48 LYS HB3 3.000 . 4.000 3.710 3.593 3.968 . 0 0 "[ . 1]" 4
153 1 48 LYS H 1 48 LYS HB2 3.000 . 4.000 2.620 2.417 2.978 . 0 0 "[ . 1]" 4
154 1 49 ASP H 1 49 ASP HB3 3.000 . 4.000 2.933 2.780 3.426 . 0 0 "[ . 1]" 4
155 1 49 ASP H 1 49 ASP HB2 3.000 . 3.500 2.395 2.209 3.308 . 0 0 "[ . 1]" 4
156 1 50 THR H 1 50 THR HB 3.000 . 3.500 3.058 2.593 3.496 . 0 0 "[ . 1]" 4
157 1 51 ASP H 1 51 ASP HB3 4.000 . 4.500 3.631 3.588 3.694 . 0 0 "[ . 1]" 4
158 1 51 ASP H 1 51 ASP HB2 4.000 . 4.500 2.489 2.323 2.687 . 0 0 "[ . 1]" 4
159 1 52 ILE H 1 52 ILE HB 2.400 . 3.400 2.893 2.597 3.488 0.088 6 0 "[ . 1]" 4
160 1 53 ASN H 1 53 ASN HB3 4.000 . 4.500 3.558 3.249 3.819 . 0 0 "[ . 1]" 4
161 1 53 ASN H 1 53 ASN HB2 4.000 . 4.500 2.867 2.297 3.834 . 0 0 "[ . 1]" 4
162 1 56 TYR H 1 56 TYR HB3 4.000 . 4.500 3.910 3.609 4.122 . 0 0 "[ . 1]" 4
163 1 56 TYR H 1 56 TYR HB2 4.000 . 4.500 3.109 2.355 3.734 . 0 0 "[ . 1]" 4
164 1 57 VAL H 1 57 VAL HB 3.000 . 3.700 3.132 2.738 3.710 0.010 1 0 "[ . 1]" 4
165 1 61 THR H 1 61 THR HB 3.000 . 3.500 3.015 2.751 3.074 . 0 0 "[ . 1]" 4
166 1 62 THR H 1 62 THR HB 4.000 . 4.500 2.711 2.392 2.836 . 0 0 "[ . 1]" 4
167 1 65 THR H 1 65 THR HB 3.000 . 4.000 2.942 2.931 2.957 . 0 0 "[ . 1]" 4
168 1 69 SER H 1 69 SER HB3 3.000 . 3.500 3.270 2.907 3.507 0.007 9 0 "[ . 1]" 4
169 1 69 SER H 1 69 SER HB2 3.000 . 4.000 3.674 3.126 4.011 0.011 9 0 "[ . 1]" 4
170 1 72 CYS H 1 72 CYS HB3 3.000 . 4.000 3.624 3.499 3.780 . 0 0 "[ . 1]" 4
171 1 72 CYS H 1 72 CYS HB2 3.000 . 4.000 2.447 2.257 2.668 . 0 0 "[ . 1]" 4
172 1 73 THR H 1 73 THR HB 4.000 . 4.500 3.537 3.249 3.681 . 0 0 "[ . 1]" 4
173 1 74 ILE H 1 74 ILE HB 4.000 . 4.500 2.437 2.325 2.487 . 0 0 "[ . 1]" 4
174 1 75 VAL H 1 75 VAL HB 3.000 . 3.500 2.894 2.641 3.145 . 0 0 "[ . 1]" 4
175 1 76 ALA H 1 76 ALA MB 3.000 . 4.000 2.359 2.248 2.448 . 0 0 "[ . 1]" 4
176 1 77 THR H 1 77 THR HB 4.000 . 4.500 2.962 2.724 3.142 . 0 0 "[ . 1]" 4
177 1 78 MET H 1 78 MET HB3 4.000 . 4.500 3.821 3.645 3.971 . 0 0 "[ . 1]" 4
178 1 78 MET H 1 78 MET HB2 4.000 . 4.500 2.729 2.445 3.051 . 0 0 "[ . 1]" 4
179 1 79 LYS H 1 79 LYS QB 3.000 . 4.000 2.578 2.431 2.777 . 0 0 "[ . 1]" 4
180 1 80 ALA H 1 80 ALA MB 3.000 . 4.000 2.875 2.770 2.940 . 0 0 "[ . 1]" 4
181 1 81 SER H 1 81 SER QB 3.000 . 4.000 2.485 2.268 3.032 . 0 0 "[ . 1]" 4
182 1 82 ASP H 1 82 ASP HB3 4.000 . 4.500 3.453 3.152 3.826 . 0 0 "[ . 1]" 4
183 1 83 VAL H 1 83 VAL HB 3.000 . 4.000 3.679 3.597 3.936 . 0 0 "[ . 1]" 4
184 1 84 ALA H 1 84 ALA MB 3.000 . 4.000 2.470 2.115 2.935 . 0 0 "[ . 1]" 4
185 1 85 THR H 1 85 THR HB 3.000 . 4.000 3.837 3.346 4.048 0.048 1 0 "[ . 1]" 4
186 1 87 LEU H 1 87 LEU HB3 4.000 . 4.500 3.574 3.533 3.603 . 0 0 "[ . 1]" 4
187 1 87 LEU H 1 87 LEU HB2 4.000 . 4.500 2.444 2.268 2.716 . 0 0 "[ . 1]" 4
188 1 88 ARG H 1 88 ARG QB 3.000 . 3.700 3.178 2.701 3.444 . 0 0 "[ . 1]" 4
189 1 90 LYS H 1 90 LYS HB3 4.000 . 4.500 4.021 3.675 4.129 . 0 0 "[ . 1]" 4
190 1 90 LYS H 1 90 LYS HB2 4.000 . 4.500 3.627 3.285 4.074 . 0 0 "[ . 1]" 4
191 1 91 THR H 1 91 THR HB 4.000 . 4.500 3.578 2.875 3.816 . 0 0 "[ . 1]" 4
192 1 92 LEU H 1 92 LEU QB 3.000 . 4.000 2.685 2.616 2.774 . 0 0 "[ . 1]" 4
193 1 93 THR H 1 93 THR HB 3.000 . 3.500 2.722 2.507 3.013 . 0 0 "[ . 1]" 4
194 1 94 LEU H 1 94 LEU HB3 4.000 . 4.500 3.567 3.074 3.784 . 0 0 "[ . 1]" 4
195 1 94 LEU H 1 94 LEU HB2 4.000 . 4.500 2.760 2.518 3.974 . 0 0 "[ . 1]" 4
196 1 95 THR H 1 95 THR HB 4.000 . 4.500 2.860 2.718 3.050 . 0 0 "[ . 1]" 4
197 1 96 LEU H 1 96 LEU HB3 4.000 . 4.500 2.901 2.726 3.041 . 0 0 "[ . 1]" 4
198 1 96 LEU H 1 96 LEU HB2 4.000 . 4.500 2.612 2.332 2.771 . 0 0 "[ . 1]" 4
199 1 98 ASN H 1 98 ASN HB3 3.000 . 3.500 2.694 2.258 3.073 . 0 0 "[ . 1]" 4
200 1 98 ASN H 1 98 ASN HB2 3.000 . 4.500 3.563 2.916 3.730 . 0 0 "[ . 1]" 4
201 1 99 ALA H 1 99 ALA MB 3.000 . 4.000 2.902 2.511 3.095 . 0 0 "[ . 1]" 4
202 1 100 ASP H 1 100 ASP HB3 4.000 . 4.500 3.507 2.720 3.765 . 0 0 "[ . 1]" 4
203 1 100 ASP H 1 100 ASP HB2 4.000 . 4.500 3.270 2.951 3.930 . 0 0 "[ . 1]" 4
204 1 101 LYS H 1 101 LYS HB3 4.000 . 4.500 3.323 2.910 3.697 . 0 0 "[ . 1]" 4
205 1 101 LYS H 1 101 LYS HB2 4.000 . 4.500 3.527 2.847 4.072 . 0 0 "[ . 1]" 4
206 1 103 SER H 1 103 SER HB3 3.000 . 3.500 3.316 3.026 3.576 0.076 5 0 "[ . 1]" 4
207 1 103 SER H 1 103 SER HB2 3.000 . 3.500 3.228 3.113 3.515 0.015 9 0 "[ . 1]" 4
208 1 104 TYR H 1 104 TYR HB3 4.000 . 4.500 4.030 3.601 4.103 . 0 0 "[ . 1]" 4
209 1 104 TYR H 1 104 TYR HB2 4.000 . 4.500 3.473 2.649 3.664 . 0 0 "[ . 1]" 4
210 1 105 THR H 1 105 THR HB 4.000 . 4.500 3.152 2.848 3.508 . 0 0 "[ . 1]" 4
211 1 106 TRP H 1 106 TRP QB 3.000 . 4.000 2.875 2.645 3.013 . 0 0 "[ . 1]" 4
212 1 108 CYS H 1 108 CYS HB3 4.000 . 4.500 2.820 2.289 3.666 . 0 0 "[ . 1]" 4
213 1 108 CYS H 1 108 CYS HB2 4.000 . 4.500 3.094 2.456 3.623 . 0 0 "[ . 1]" 4
214 1 110 SER H 1 110 SER HB3 4.000 . 4.500 2.422 2.280 2.872 . 0 0 "[ . 1]" 4
215 1 110 SER H 1 110 SER HB2 4.000 . 4.500 2.810 2.325 2.977 . 0 0 "[ . 1]" 4
216 1 111 ASN H 1 111 ASN HB3 4.000 . 4.500 2.877 2.599 3.163 . 0 0 "[ . 1]" 4
217 1 111 ASN H 1 111 ASN HB2 4.000 . 4.500 3.000 2.632 3.363 . 0 0 "[ . 1]" 4
218 1 113 ASP H 1 113 ASP HB3 4.000 . 4.500 3.681 2.678 4.119 . 0 0 "[ . 1]" 4
219 1 113 ASP H 1 113 ASP HB2 4.000 . 4.500 3.226 2.514 3.993 . 0 0 "[ . 1]" 4
220 1 114 ASN H 1 114 ASN HB3 3.000 . 4.000 3.141 2.710 3.771 . 0 0 "[ . 1]" 4
221 1 114 ASN H 1 114 ASN HB2 3.000 . 3.500 2.878 2.214 3.633 0.133 3 0 "[ . 1]" 4
222 1 115 LYS H 1 115 LYS HB3 3.000 . 4.000 3.191 2.584 3.779 . 0 0 "[ . 1]" 4
223 1 115 LYS H 1 115 LYS HB2 3.000 . 4.000 2.755 2.198 4.002 0.002 10 0 "[ . 1]" 4
224 1 116 TYR H 1 116 TYR HB3 4.000 . 4.500 3.694 3.506 3.912 . 0 0 "[ . 1]" 4
225 1 116 TYR H 1 116 TYR HB2 4.000 . 4.500 2.551 2.205 2.876 . 0 0 "[ . 1]" 4
226 1 121 CYS H 1 121 CYS HB3 4.000 . 4.500 3.692 3.624 3.847 . 0 0 "[ . 1]" 4
227 1 121 CYS H 1 121 CYS HB2 4.000 . 4.500 2.580 2.404 2.847 . 0 0 "[ . 1]" 4
228 1 123 THR H 1 123 THR HB 3.000 . 4.000 3.217 2.601 3.931 . 0 0 "[ . 1]" 4
229 1 3 GLU H 1 3 GLU QG 4.000 . 5.000 2.798 2.108 3.258 . 0 0 "[ . 1]" 4
230 1 16 MET H 1 16 MET QG 2.400 . 3.400 1.958 1.925 1.990 . 0 0 "[ . 1]" 4
231 1 17 THR H 1 17 THR MG 4.000 . 5.000 3.756 3.744 3.770 . 0 0 "[ . 1]" 4
232 1 18 LEU H 1 18 LEU HG 5.000 . 5.500 4.516 4.451 4.604 . 0 0 "[ . 1]" 4
233 1 22 LEU H 1 22 LEU HG 5.000 . 5.500 4.461 4.235 4.598 . 0 0 "[ . 1]" 4
234 1 23 LYS H 1 23 LYS QG 4.000 . 5.000 2.386 1.939 3.918 . 0 0 "[ . 1]" 4
235 1 24 THR H 1 24 THR MG 2.400 . 3.400 2.096 1.941 2.640 . 0 0 "[ . 1]" 4
236 1 25 LYS H 1 25 LYS QG 2.400 . 3.400 2.692 2.211 3.036 . 0 0 "[ . 1]" 4
237 1 26 VAL H 1 26 VAL QG 3.000 . 4.500 2.068 1.940 2.146 . 0 0 "[ . 1]" 4
238 1 29 ILE H 1 29 ILE MG 4.000 . 5.000 3.773 3.765 3.789 . 0 0 "[ . 1]" 4
239 1 32 GLN H 1 32 GLN HG3 3.000 . 3.500 2.239 1.987 3.440 . 0 0 "[ . 1]" 4
240 1 32 GLN H 1 32 GLN HG2 3.000 . 3.500 2.800 1.956 3.557 0.057 6 0 "[ . 1]" 4
241 1 40 THR H 1 40 THR MG 2.400 . 3.400 2.262 1.917 2.704 . 0 0 "[ . 1]" 4
242 1 43 THR H 1 43 THR MG 4.000 . 5.000 3.052 1.972 3.851 . 0 0 "[ . 1]" 4
243 1 46 ILE H 1 46 ILE HG13 3.000 . 3.500 3.040 2.058 3.581 0.081 2 0 "[ . 1]" 4
244 1 46 ILE H 1 46 ILE HG12 3.000 . 4.000 3.102 1.973 4.037 0.037 10 0 "[ . 1]" 4
245 1 46 ILE H 1 46 ILE MG 4.000 . 5.000 3.861 3.759 4.017 . 0 0 "[ . 1]" 4
246 1 47 GLU H 1 47 GLU HG3 4.000 . 4.500 3.788 2.755 4.670 0.170 7 0 "[ . 1]" 4
247 1 47 GLU H 1 47 GLU HG2 4.000 . 4.500 4.003 1.989 4.558 0.058 6 0 "[ . 1]" 4
248 1 55 LYS H 1 55 LYS QG 4.000 . 4.500 3.463 2.384 4.046 . 0 0 "[ . 1]" 4
249 1 57 VAL H 1 57 VAL MG2 4.000 . 5.000 3.716 2.042 3.989 . 0 0 "[ . 1]" 4
250 1 57 VAL H 1 57 VAL MG1 4.000 . 5.000 2.305 2.024 2.929 . 0 0 "[ . 1]" 4
251 1 59 LYS H 1 59 LYS QG 4.000 . 5.000 3.998 3.464 4.158 . 0 0 "[ . 1]" 4
252 1 60 VAL H 1 60 VAL MG1 4.000 . 5.000 3.866 3.796 3.921 . 0 0 "[ . 1]" 4
253 1 60 VAL H 1 60 VAL MG2 4.000 . 5.000 2.596 2.403 2.756 . 0 0 "[ . 1]" 4
254 1 62 THR H 1 62 THR MG 4.000 . 5.000 2.554 1.949 3.781 . 0 0 "[ . 1]" 4
255 1 65 THR H 1 65 THR MG 3.000 . 4.700 3.954 3.949 3.960 . 0 0 "[ . 1]" 4
256 1 73 THR H 1 73 THR MG 4.000 . 5.000 2.861 1.989 3.624 . 0 0 "[ . 1]" 4
257 1 77 THR H 1 77 THR MG 4.000 . 5.000 3.956 3.853 4.012 . 0 0 "[ . 1]" 4
258 1 78 MET H 1 78 MET QG 3.000 . 4.500 2.814 2.508 3.077 . 0 0 "[ . 1]" 4
259 1 79 LYS H 1 79 LYS QG 3.000 . 4.500 2.859 2.751 2.964 . 0 0 "[ . 1]" 4
260 1 83 VAL H 1 83 VAL MG1 3.000 . 4.000 2.497 2.151 3.162 . 0 0 "[ . 1]" 4
261 1 83 VAL H 1 83 VAL MG2 3.000 . 4.000 2.015 1.939 2.296 . 0 0 "[ . 1]" 4
262 1 85 THR H 1 85 THR MG 3.000 . 4.000 3.008 2.434 3.371 . 0 0 "[ . 1]" 4
263 1 87 LEU H 1 87 LEU HG 3.000 . 3.500 2.706 1.980 3.620 0.120 6 0 "[ . 1]" 4
264 1 88 ARG H 1 88 ARG HG3 4.000 . 4.500 3.245 2.416 4.220 . 0 0 "[ . 1]" 4
265 1 88 ARG H 1 88 ARG HG2 4.000 . 4.500 3.529 2.706 4.267 . 0 0 "[ . 1]" 4
266 1 90 LYS H 1 90 LYS QG 4.000 . 4.500 3.223 2.698 4.060 . 0 0 "[ . 1]" 4
267 1 91 THR H 1 91 THR MG 4.000 . 5.000 2.762 1.901 3.917 . 0 0 "[ . 1]" 4
268 1 92 LEU H 1 92 LEU HG 5.000 . 5.500 4.589 4.419 4.698 . 0 0 "[ . 1]" 4
269 1 94 LEU H 1 94 LEU HG 4.000 . 4.500 4.223 2.480 4.602 0.102 7 0 "[ . 1]" 4
270 1 95 THR H 1 95 THR MG 4.000 . 5.000 3.884 3.773 4.013 . 0 0 "[ . 1]" 4
271 1 96 LEU H 1 96 LEU HG 4.000 . 4.500 4.497 4.367 4.562 0.062 1 0 "[ . 1]" 4
272 1 101 LYS H 1 101 LYS HG3 5.000 . 5.500 3.786 2.284 4.973 . 0 0 "[ . 1]" 4
273 1 101 LYS H 1 101 LYS HG2 5.000 . 5.500 3.703 2.033 5.320 . 0 0 "[ . 1]" 4
274 1 105 THR H 1 105 THR MG 4.000 . 5.000 3.635 2.282 4.041 . 0 0 "[ . 1]" 4
275 1 109 THR H 1 109 THR MG 4.000 . 5.000 3.344 2.364 4.005 . 0 0 "[ . 1]" 4
276 1 123 THR H 1 123 THR MG 4.000 . 5.000 2.805 1.961 3.866 . 0 0 "[ . 1]" 4
277 1 18 LEU H 1 18 LEU MD1 5.000 . 6.000 4.075 3.636 4.248 . 0 0 "[ . 1]" 4
278 1 18 LEU H 1 18 LEU MD2 5.000 . 6.000 4.076 3.604 4.245 . 0 0 "[ . 1]" 4
279 1 22 LEU H 1 22 LEU MD1 4.000 . 5.000 3.809 2.526 4.197 . 0 0 "[ . 1]" 4
280 1 22 LEU H 1 22 LEU MD2 4.000 . 5.000 3.793 2.602 4.189 . 0 0 "[ . 1]" 4
281 1 23 LYS H 1 23 LYS QD 5.000 . 6.000 3.688 1.978 4.511 . 0 0 "[ . 1]" 4
282 1 29 ILE H 1 29 ILE MD 4.000 . 5.000 3.227 1.913 3.531 . 0 0 "[ . 1]" 4
283 1 30 PHE H 1 30 PHE QD 5.000 . 6.000 4.128 3.962 4.246 . 0 0 "[ . 1]" 4
284 1 74 ILE H 1 74 ILE MD 5.000 . 6.000 1.976 1.884 2.230 . 0 0 "[ . 1]" 4
285 1 79 LYS H 1 79 LYS QD 4.000 . 5.000 4.435 3.998 4.500 . 0 0 "[ . 1]" 4
286 1 90 LYS H 1 90 LYS QD 5.000 . 6.000 4.663 4.151 4.857 . 0 0 "[ . 1]" 4
287 1 92 LEU H 1 92 LEU MD1 5.000 . 6.000 4.480 3.356 4.875 . 0 0 "[ . 1]" 4
288 1 92 LEU H 1 92 LEU MD2 5.000 . 6.000 4.295 3.889 4.780 . 0 0 "[ . 1]" 4
289 1 96 LEU H 1 96 LEU MD1 5.000 . 6.000 4.273 4.020 4.391 . 0 0 "[ . 1]" 4
290 1 96 LEU H 1 96 LEU MD2 5.000 . 6.000 4.398 4.323 4.496 . 0 0 "[ . 1]" 4
291 1 104 TYR H 1 104 TYR QD 5.000 . 6.000 3.056 2.276 3.351 . 0 0 "[ . 1]" 4
292 1 106 TRP H 1 106 TRP HD1 3.000 . 3.500 3.563 3.517 3.592 0.092 4 0 "[ . 1]" 4
293 1 23 LYS H 1 23 LYS QE 5.000 . 6.000 4.159 3.036 4.739 . 0 0 "[ . 1]" 4
294 1 60 VAL HA 1 60 VAL MG1 3.000 . 4.000 2.262 2.197 2.327 . 0 0 "[ . 1]" 4
295 1 60 VAL HA 1 60 VAL MG2 3.000 . 4.000 2.373 2.351 2.401 . 0 0 "[ . 1]" 4
296 1 73 THR HA 1 73 THR MG 3.000 . 4.000 2.315 2.144 3.184 . 0 0 "[ . 1]" 4
297 1 92 LEU HA 1 92 LEU HG 3.000 . 3.500 2.508 2.178 2.807 . 0 0 "[ . 1]" 4
298 1 106 TRP HA 1 106 TRP HD1 5.000 . 5.500 3.124 2.491 4.237 . 0 0 "[ . 1]" 4
299 1 116 TYR HA 1 116 TYR QD 4.000 . 5.000 2.551 2.236 2.944 . 0 0 "[ . 1]" 4
300 1 106 TRP HA 1 106 TRP HE1 5.000 . 5.200 5.183 4.979 5.361 0.161 5 0 "[ . 1]" 4
301 1 116 TYR HA 1 116 TYR QE 5.000 . 6.000 4.363 4.233 4.573 . 0 0 "[ . 1]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 356
_Distance_constraint_stats_list.Viol_count 174
_Distance_constraint_stats_list.Viol_total 85.412
_Distance_constraint_stats_list.Viol_max 0.304
_Distance_constraint_stats_list.Viol_rms 0.0144
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0491
_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 3 GLU 0.051 0.046 2 0 "[ . 1]"
1 4 GLY 0.051 0.046 2 0 "[ . 1]"
1 7 PHE 0.000 0.000 . 0 "[ . 1]"
1 8 ALA 0.233 0.086 1 0 "[ . 1]"
1 9 ARG 0.298 0.086 1 0 "[ . 1]"
1 10 ALA 0.095 0.029 7 0 "[ . 1]"
1 11 GLN 0.031 0.019 6 0 "[ . 1]"
1 12 LEU 0.044 0.017 9 0 "[ . 1]"
1 13 SER 0.044 0.017 9 0 "[ . 1]"
1 14 GLU 0.000 0.000 . 0 "[ . 1]"
1 15 ALA 0.000 0.000 . 0 "[ . 1]"
1 16 MET 0.000 0.000 . 0 "[ . 1]"
1 17 THR 0.000 0.000 . 0 "[ . 1]"
1 18 LEU 0.000 0.000 . 0 "[ . 1]"
1 19 ALA 0.000 0.000 . 0 "[ . 1]"
1 20 SER 0.000 0.000 . 0 "[ . 1]"
1 21 GLY 0.000 0.000 . 0 "[ . 1]"
1 22 LEU 0.000 0.000 . 0 "[ . 1]"
1 23 LYS 0.000 0.000 . 0 "[ . 1]"
1 24 THR 0.000 0.000 . 0 "[ . 1]"
1 25 LYS 0.000 0.000 . 0 "[ . 1]"
1 26 VAL 0.000 0.000 . 0 "[ . 1]"
1 27 SER 0.000 0.000 . 0 "[ . 1]"
1 28 ASP 0.000 0.000 . 0 "[ . 1]"
1 29 ILE 0.000 0.000 . 0 "[ . 1]"
1 30 PHE 0.000 0.000 . 0 "[ . 1]"
1 31 SER 0.000 0.000 . 0 "[ . 1]"
1 32 GLN 0.000 0.000 . 0 "[ . 1]"
1 33 ASP 0.000 0.000 . 0 "[ . 1]"
1 34 GLY 0.000 0.000 . 0 "[ . 1]"
1 35 SER 0.000 0.000 . 0 "[ . 1]"
1 36 CYS 0.000 0.000 . 0 "[ . 1]"
1 37 PRO 0.000 0.000 . 0 "[ . 1]"
1 38 ALA 0.000 0.000 . 0 "[ . 1]"
1 39 ASN 0.000 0.000 . 0 "[ . 1]"
1 40 THR 0.000 0.000 . 0 "[ . 1]"
1 41 ALA 0.011 0.005 5 0 "[ . 1]"
1 42 ALA 0.011 0.005 5 0 "[ . 1]"
1 43 THR 0.003 0.003 9 0 "[ . 1]"
1 44 ALA 0.003 0.003 9 0 "[ . 1]"
1 45 GLY 0.000 0.000 . 0 "[ . 1]"
1 46 ILE 0.000 0.000 . 0 "[ . 1]"
1 47 GLU 0.009 0.009 7 0 "[ . 1]"
1 48 LYS 0.009 0.009 7 0 "[ . 1]"
1 49 ASP 0.000 0.000 . 0 "[ . 1]"
1 50 THR 0.000 0.000 . 0 "[ . 1]"
1 51 ASP 0.022 0.022 6 0 "[ . 1]"
1 52 ILE 0.022 0.022 6 0 "[ . 1]"
1 53 ASN 0.000 0.000 . 0 "[ . 1]"
1 54 GLY 0.040 0.029 10 0 "[ . 1]"
1 55 LYS 0.540 0.167 9 0 "[ . 1]"
1 56 TYR 0.622 0.167 9 0 "[ . 1]"
1 57 VAL 0.419 0.073 10 0 "[ . 1]"
1 58 ALA 0.297 0.044 4 0 "[ . 1]"
1 59 LYS 0.000 0.000 . 0 "[ . 1]"
1 60 VAL 0.000 0.000 . 0 "[ . 1]"
1 61 THR 0.000 0.000 . 0 "[ . 1]"
1 62 THR 0.634 0.072 1 0 "[ . 1]"
1 63 GLY 0.634 0.072 1 0 "[ . 1]"
1 64 GLY 0.000 0.000 . 0 "[ . 1]"
1 65 THR 0.424 0.077 2 0 "[ . 1]"
1 66 ALA 0.440 0.077 2 0 "[ . 1]"
1 67 ALA 0.017 0.017 2 0 "[ . 1]"
1 68 ALA 0.000 0.000 . 0 "[ . 1]"
1 69 SER 0.000 0.000 . 0 "[ . 1]"
1 70 GLY 0.000 0.000 . 0 "[ . 1]"
1 71 GLY 0.522 0.074 2 0 "[ . 1]"
1 72 CYS 0.628 0.078 3 0 "[ . 1]"
1 73 THR 0.106 0.078 3 0 "[ . 1]"
1 74 ILE 0.000 0.000 . 0 "[ . 1]"
1 75 VAL 0.000 0.000 . 0 "[ . 1]"
1 76 ALA 0.000 0.000 . 0 "[ . 1]"
1 77 THR 0.026 0.026 3 0 "[ . 1]"
1 78 MET 0.026 0.026 3 0 "[ . 1]"
1 79 LYS 0.000 0.000 . 0 "[ . 1]"
1 80 ALA 0.041 0.041 9 0 "[ . 1]"
1 81 SER 0.041 0.041 9 0 "[ . 1]"
1 82 ASP 0.000 0.000 . 0 "[ . 1]"
1 83 VAL 0.006 0.006 8 0 "[ . 1]"
1 84 ALA 0.006 0.006 8 0 "[ . 1]"
1 85 THR 0.000 0.000 . 0 "[ . 1]"
1 86 PRO 0.000 0.000 . 0 "[ . 1]"
1 87 LEU 0.499 0.081 3 0 "[ . 1]"
1 88 ARG 0.499 0.081 3 0 "[ . 1]"
1 89 GLY 0.000 0.000 . 0 "[ . 1]"
1 90 LYS 0.801 0.153 10 0 "[ . 1]"
1 91 THR 0.866 0.153 10 0 "[ . 1]"
1 92 LEU 0.096 0.040 4 0 "[ . 1]"
1 93 THR 0.031 0.025 3 0 "[ . 1]"
1 94 LEU 0.000 0.000 . 0 "[ . 1]"
1 95 THR 0.000 0.000 . 0 "[ . 1]"
1 96 LEU 0.041 0.041 10 0 "[ . 1]"
1 97 GLY 0.119 0.078 9 0 "[ . 1]"
1 98 ASN 0.346 0.169 8 0 "[ . 1]"
1 99 ALA 0.309 0.169 8 0 "[ . 1]"
1 100 ASP 0.873 0.178 8 0 "[ . 1]"
1 101 LYS 0.935 0.178 8 0 "[ . 1]"
1 102 GLY 0.228 0.073 4 0 "[ . 1]"
1 103 SER 0.864 0.157 5 0 "[ . 1]"
1 104 TYR 1.123 0.157 5 0 "[ . 1]"
1 105 THR 0.984 0.155 2 0 "[ . 1]"
1 106 TRP 0.600 0.155 2 0 "[ . 1]"
1 107 ALA 0.000 0.000 . 0 "[ . 1]"
1 108 CYS 0.000 0.000 . 0 "[ . 1]"
1 109 THR 0.316 0.096 10 0 "[ . 1]"
1 110 SER 0.316 0.096 10 0 "[ . 1]"
1 111 ASN 0.000 0.000 . 0 "[ . 1]"
1 112 ALA 0.000 0.000 . 0 "[ . 1]"
1 113 ASP 0.006 0.006 5 0 "[ . 1]"
1 114 ASN 0.006 0.006 5 0 "[ . 1]"
1 115 LYS 0.000 0.000 . 0 "[ . 1]"
1 116 TYR 0.000 0.000 . 0 "[ . 1]"
1 120 THR 0.000 0.000 . 0 "[ . 1]"
1 121 CYS 0.000 0.000 . 0 "[ . 1]"
1 122 GLN 0.408 0.304 6 0 "[ . 1]"
1 123 THR 0.408 0.304 6 0 "[ . 1]"
1 124 ALA 0.000 0.000 . 0 "[ . 1]"
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 8 ALA H 1 9 ARG H 3.000 . 3.500 2.690 1.990 3.586 0.086 1 0 "[ . 1]" 5
2 1 9 ARG H 1 10 ALA H 3.000 . 3.500 3.111 2.285 3.529 0.029 7 0 "[ . 1]" 5
3 1 10 ALA H 1 11 GLN H 3.000 . 3.700 3.033 2.451 3.719 0.019 6 0 "[ . 1]" 5
4 1 11 GLN H 1 12 LEU H 3.000 . 3.500 2.635 2.433 2.759 . 0 0 "[ . 1]" 5
5 1 12 LEU H 1 13 SER H 3.000 . 3.500 2.676 2.524 2.860 . 0 0 "[ . 1]" 5
6 1 13 SER H 1 14 GLU H 3.000 . 3.500 2.678 2.524 2.821 . 0 0 "[ . 1]" 5
7 1 14 GLU H 1 15 ALA H 3.000 . 3.500 2.598 2.484 2.697 . 0 0 "[ . 1]" 5
8 1 15 ALA H 1 16 MET H 3.000 . 3.500 2.865 2.812 2.928 . 0 0 "[ . 1]" 5
9 1 16 MET H 1 17 THR H 3.000 . 3.500 2.626 2.421 2.707 . 0 0 "[ . 1]" 5
10 1 17 THR H 1 18 LEU H 3.000 . 3.500 2.624 2.452 2.729 . 0 0 "[ . 1]" 5
11 1 18 LEU H 1 19 ALA H 3.000 . 3.500 2.529 2.448 2.613 . 0 0 "[ . 1]" 5
12 1 19 ALA H 1 20 SER H 3.000 . 3.500 2.798 2.658 2.948 . 0 0 "[ . 1]" 5
13 1 20 SER H 1 21 GLY H 3.000 . 3.500 2.644 2.518 2.750 . 0 0 "[ . 1]" 5
14 1 21 GLY H 1 22 LEU H 3.000 . 3.500 2.588 2.495 2.769 . 0 0 "[ . 1]" 5
15 1 22 LEU H 1 23 LYS H 3.000 . 3.500 2.637 2.496 2.850 . 0 0 "[ . 1]" 5
16 1 23 LYS H 1 24 THR H 3.000 . 3.500 2.717 2.670 2.761 . 0 0 "[ . 1]" 5
17 1 24 THR H 1 25 LYS H 3.000 . 3.500 2.531 2.449 2.708 . 0 0 "[ . 1]" 5
18 1 25 LYS H 1 26 VAL H 3.000 . 3.500 2.704 2.491 2.857 . 0 0 "[ . 1]" 5
19 1 26 VAL H 1 27 SER H 3.000 . 3.500 2.737 2.617 2.878 . 0 0 "[ . 1]" 5
20 1 27 SER H 1 28 ASP H 3.000 . 3.500 2.653 2.590 2.712 . 0 0 "[ . 1]" 5
21 1 28 ASP H 1 29 ILE H 3.000 . 3.500 2.458 2.432 2.555 . 0 0 "[ . 1]" 5
22 1 29 ILE H 1 30 PHE H 3.000 . 3.500 2.831 2.686 3.140 . 0 0 "[ . 1]" 5
23 1 30 PHE H 1 31 SER H 3.000 . 3.500 2.388 2.167 2.625 . 0 0 "[ . 1]" 5
24 1 31 SER H 1 32 GLN H 3.000 . 3.500 2.506 2.350 2.646 . 0 0 "[ . 1]" 5
25 1 32 GLN H 1 33 ASP H 3.000 . 3.500 3.270 3.024 3.444 . 0 0 "[ . 1]" 5
26 1 33 ASP H 1 34 GLY H 3.000 . 3.500 2.405 2.137 2.717 . 0 0 "[ . 1]" 5
27 1 34 GLY H 1 35 SER H 3.000 . 3.500 2.352 1.957 2.745 . 0 0 "[ . 1]" 5
28 1 35 SER H 1 36 CYS H 5.000 . 5.500 4.219 4.150 4.283 . 0 0 "[ . 1]" 5
29 1 38 ALA H 1 39 ASN H 5.000 . 5.500 4.063 3.264 4.475 . 0 0 "[ . 1]" 5
30 1 39 ASN H 1 40 THR H 4.000 . 4.500 3.759 2.843 4.261 . 0 0 "[ . 1]" 5
31 1 40 THR H 1 41 ALA H 2.400 . 2.900 2.082 1.979 2.425 . 0 0 "[ . 1]" 5
32 1 41 ALA H 1 42 ALA H 4.000 . 4.500 2.550 2.145 4.361 . 0 0 "[ . 1]" 5
33 1 42 ALA H 1 43 THR H 4.000 . 4.500 4.349 4.183 4.461 . 0 0 "[ . 1]" 5
34 1 43 THR H 1 44 ALA H 4.000 . 4.500 2.925 2.534 4.503 0.003 9 0 "[ . 1]" 5
35 1 44 ALA H 1 45 GLY H 2.400 . 2.900 2.256 1.995 2.599 . 0 0 "[ . 1]" 5
36 1 45 GLY H 1 46 ILE H 5.000 . 5.500 2.202 1.966 2.715 . 0 0 "[ . 1]" 5
37 1 46 ILE H 1 47 GLU H 5.000 . 5.500 3.892 2.243 4.620 . 0 0 "[ . 1]" 5
38 1 47 GLU H 1 48 LYS H 2.400 . 2.900 2.261 1.947 2.909 0.009 7 0 "[ . 1]" 5
39 1 48 LYS H 1 49 ASP H 2.400 . 2.900 2.405 1.979 2.818 . 0 0 "[ . 1]" 5
40 1 49 ASP H 1 50 THR H 5.000 . 5.500 3.425 2.681 4.356 . 0 0 "[ . 1]" 5
41 1 51 ASP H 1 52 ILE H 3.000 . 3.500 2.776 2.149 3.522 0.022 6 0 "[ . 1]" 5
42 1 52 ILE H 1 53 ASN H 5.000 . 5.500 3.912 3.174 4.325 . 0 0 "[ . 1]" 5
43 1 53 ASN H 1 54 GLY H 5.000 . 5.500 3.597 2.032 4.588 . 0 0 "[ . 1]" 5
44 1 54 GLY H 1 55 LYS H 5.000 . 5.500 3.885 2.291 4.628 . 0 0 "[ . 1]" 5
45 1 55 LYS H 1 56 TYR H 3.000 . 3.500 3.240 2.636 3.667 0.167 9 0 "[ . 1]" 5
46 1 56 TYR H 1 57 VAL H 2.400 . 3.400 2.442 2.098 2.606 . 0 0 "[ . 1]" 5
47 1 57 VAL H 1 58 ALA H 5.000 . 5.500 2.277 1.949 2.685 . 0 0 "[ . 1]" 5
48 1 58 ALA H 1 59 LYS H 4.000 . 4.500 4.080 3.462 4.283 . 0 0 "[ . 1]" 5
49 1 60 VAL H 1 61 THR H 5.000 . 5.500 4.495 4.270 4.592 . 0 0 "[ . 1]" 5
50 1 61 THR H 1 62 THR H 5.000 . 5.500 4.366 4.339 4.458 . 0 0 "[ . 1]" 5
51 1 62 THR H 1 63 GLY H 4.000 . 4.500 4.563 4.539 4.572 0.072 1 0 "[ . 1]" 5
52 1 64 GLY H 1 65 THR H 5.000 . 5.500 4.455 4.373 4.510 . 0 0 "[ . 1]" 5
53 1 65 THR H 1 66 ALA H 3.000 . 3.500 3.542 3.527 3.577 0.077 2 0 "[ . 1]" 5
54 1 66 ALA H 1 67 ALA H 5.000 . 5.500 4.331 4.224 4.410 . 0 0 "[ . 1]" 5
55 1 68 ALA H 1 69 SER H 2.400 . 2.900 2.426 1.917 2.631 . 0 0 "[ . 1]" 5
56 1 69 SER H 1 70 GLY H 2.400 . 2.900 2.135 1.858 2.726 . 0 0 "[ . 1]" 5
57 1 71 GLY H 1 72 CYS H 2.400 . 2.600 2.349 2.051 2.623 0.023 1 0 "[ . 1]" 5
58 1 73 THR H 1 74 ILE H 5.000 . 5.500 4.043 3.820 4.170 . 0 0 "[ . 1]" 5
59 1 75 VAL H 1 76 ALA H 5.000 . 5.500 4.304 4.145 4.456 . 0 0 "[ . 1]" 5
60 1 76 ALA H 1 77 THR H 5.000 . 5.500 4.507 4.252 4.563 . 0 0 "[ . 1]" 5
61 1 77 THR H 1 78 MET H 4.000 . 4.500 4.393 4.200 4.526 0.026 3 0 "[ . 1]" 5
62 1 78 MET H 1 79 LYS H 4.000 . 4.500 4.079 3.796 4.356 . 0 0 "[ . 1]" 5
63 1 79 LYS H 1 80 ALA H 4.000 . 4.500 4.454 4.381 4.496 . 0 0 "[ . 1]" 5
64 1 80 ALA H 1 81 SER H 4.000 . 4.500 2.869 2.627 4.010 . 0 0 "[ . 1]" 5
65 1 81 SER H 1 82 ASP H 4.000 . 4.500 4.188 4.113 4.231 . 0 0 "[ . 1]" 5
66 1 82 ASP H 1 83 VAL H 4.000 . 4.500 2.107 1.936 2.856 . 0 0 "[ . 1]" 5
67 1 83 VAL H 1 84 ALA H 5.000 . 5.500 4.488 4.305 4.606 . 0 0 "[ . 1]" 5
68 1 84 ALA H 1 85 THR H 5.000 . 5.500 4.378 3.702 4.652 . 0 0 "[ . 1]" 5
69 1 87 LEU H 1 88 ARG H 4.000 2.800 4.500 2.815 2.719 3.041 0.081 3 0 "[ . 1]" 5
70 1 88 ARG H 1 89 GLY H 5.000 . 5.500 4.442 3.774 4.680 . 0 0 "[ . 1]" 5
71 1 89 GLY H 1 90 LYS H 3.000 . 3.500 2.977 2.510 3.497 . 0 0 "[ . 1]" 5
72 1 90 LYS H 1 91 THR H 4.000 . 4.500 4.530 4.375 4.653 0.153 10 0 "[ . 1]" 5
73 1 91 THR H 1 92 LEU H 5.000 . 5.500 4.512 4.470 4.545 . 0 0 "[ . 1]" 5
74 1 92 LEU H 1 93 THR H 4.000 . 4.500 4.071 3.659 4.403 . 0 0 "[ . 1]" 5
75 1 97 GLY H 1 98 ASN H 3.000 . 4.500 3.334 2.912 4.578 0.078 9 0 "[ . 1]" 5
76 1 98 ASN H 1 99 ALA H 3.000 . 3.500 2.465 1.926 3.547 0.047 9 0 "[ . 1]" 5
77 1 99 ALA H 1 100 ASP H 3.000 . 3.500 2.783 2.360 3.541 0.041 9 0 "[ . 1]" 5
78 1 100 ASP H 1 101 LYS H 3.000 . 3.500 3.102 2.530 3.678 0.178 8 0 "[ . 1]" 5
79 1 101 LYS H 1 102 GLY H 2.400 . 2.900 2.504 1.921 2.934 0.034 9 0 "[ . 1]" 5
80 1 102 GLY H 1 103 SER H 3.000 . 3.500 3.111 2.393 3.573 0.073 4 0 "[ . 1]" 5
81 1 103 SER H 1 104 TYR H 3.000 . 3.500 2.274 1.944 3.393 . 0 0 "[ . 1]" 5
82 1 104 TYR H 1 105 THR H 5.000 . 5.500 4.195 4.059 4.565 . 0 0 "[ . 1]" 5
83 1 105 THR H 1 106 TRP H 5.000 . 5.500 4.367 4.254 4.547 . 0 0 "[ . 1]" 5
84 1 111 ASN H 1 112 ALA H 3.000 . 3.500 2.996 2.633 3.253 . 0 0 "[ . 1]" 5
85 1 115 LYS H 1 116 TYR H 2.400 . 2.900 2.497 2.133 2.890 . 0 0 "[ . 1]" 5
86 1 121 CYS H 1 122 GLN H 5.000 . 5.500 4.417 4.252 4.602 . 0 0 "[ . 1]" 5
87 1 3 GLU HA 1 4 GLY H 3.000 . 3.500 2.697 2.173 3.546 0.046 2 0 "[ . 1]" 5
88 1 8 ALA HA 1 9 ARG H 3.000 . 3.500 3.074 2.455 3.556 0.056 1 0 "[ . 1]" 5
89 1 10 ALA HA 1 11 GLN H 4.000 . 4.500 3.104 2.488 3.571 . 0 0 "[ . 1]" 5
90 1 11 GLN HA 1 12 LEU H 4.000 . 4.500 3.499 3.489 3.506 . 0 0 "[ . 1]" 5
91 1 12 LEU HA 1 13 SER H 4.000 . 4.500 3.555 3.535 3.571 . 0 0 "[ . 1]" 5
92 1 14 GLU HA 1 15 ALA H 4.000 . 4.500 3.499 3.489 3.506 . 0 0 "[ . 1]" 5
93 1 15 ALA HA 1 16 MET H 4.000 . 4.500 3.569 3.562 3.574 . 0 0 "[ . 1]" 5
94 1 17 THR HA 1 18 LEU H 4.000 . 4.500 3.537 3.513 3.562 . 0 0 "[ . 1]" 5
95 1 19 ALA HA 1 20 SER H 4.000 . 4.500 3.561 3.528 3.572 . 0 0 "[ . 1]" 5
96 1 20 SER HA 1 21 GLY H 4.000 . 4.500 3.530 3.503 3.565 . 0 0 "[ . 1]" 5
97 1 21 GLY QA 1 22 LEU H 4.000 . 4.500 2.799 2.618 2.874 . 0 0 "[ . 1]" 5
98 1 22 LEU HA 1 23 LYS H 4.000 . 4.500 3.546 3.481 3.575 . 0 0 "[ . 1]" 5
99 1 23 LYS HA 1 24 THR H 4.000 . 4.500 3.543 3.513 3.565 . 0 0 "[ . 1]" 5
100 1 24 THR HA 1 25 LYS H 4.000 . 4.500 3.503 3.489 3.559 . 0 0 "[ . 1]" 5
101 1 25 LYS HA 1 26 VAL H 4.000 . 4.500 3.569 3.561 3.581 . 0 0 "[ . 1]" 5
102 1 28 ASP HA 1 29 ILE H 5.000 . 5.500 3.515 3.497 3.558 . 0 0 "[ . 1]" 5
103 1 29 ILE HA 1 30 PHE H 4.000 . 4.500 3.552 3.501 3.598 . 0 0 "[ . 1]" 5
104 1 30 PHE HA 1 31 SER H 4.000 . 4.500 3.488 3.443 3.507 . 0 0 "[ . 1]" 5
105 1 32 GLN HA 1 33 ASP H 4.000 . 4.500 3.572 3.554 3.594 . 0 0 "[ . 1]" 5
106 1 33 ASP HA 1 34 GLY H 4.000 . 4.500 3.362 3.092 3.512 . 0 0 "[ . 1]" 5
107 1 34 GLY QA 1 35 SER H 3.000 . 3.500 2.873 2.820 2.923 . 0 0 "[ . 1]" 5
108 1 35 SER HA 1 36 CYS H 4.000 . 4.500 2.935 2.805 3.037 . 0 0 "[ . 1]" 5
109 1 37 PRO HA 1 38 ALA H 2.400 . 2.900 2.620 2.226 2.737 . 0 0 "[ . 1]" 5
110 1 38 ALA HA 1 39 ASN H 2.400 . 2.900 2.211 2.111 2.448 . 0 0 "[ . 1]" 5
111 1 39 ASN HA 1 40 THR H 3.000 . 3.500 2.475 2.192 2.952 . 0 0 "[ . 1]" 5
112 1 40 THR HA 1 41 ALA H 4.000 . 4.500 3.499 3.494 3.502 . 0 0 "[ . 1]" 5
113 1 41 ALA HA 1 42 ALA H 2.400 . 2.900 2.842 2.367 2.905 0.005 5 0 "[ . 1]" 5
114 1 42 ALA HA 1 43 THR H 2.400 . 2.900 2.731 2.246 2.864 . 0 0 "[ . 1]" 5
115 1 43 THR HA 1 44 ALA H 3.000 . 3.500 2.862 2.470 3.002 . 0 0 "[ . 1]" 5
116 1 45 GLY QA 1 46 ILE H 3.000 . 4.000 2.795 2.744 2.867 . 0 0 "[ . 1]" 5
117 1 48 LYS HA 1 49 ASP H 4.000 . 4.500 3.495 3.242 3.572 . 0 0 "[ . 1]" 5
118 1 50 THR HA 1 51 ASP H 5.000 . 5.500 2.311 2.145 2.530 . 0 0 "[ . 1]" 5
119 1 51 ASP HA 1 52 ILE H 4.000 . 4.500 3.542 3.476 3.585 . 0 0 "[ . 1]" 5
120 1 52 ILE HA 1 53 ASN H 2.400 . 2.900 2.315 2.184 2.533 . 0 0 "[ . 1]" 5
121 1 54 GLY HA3 1 55 LYS H 3.000 . 3.500 2.899 2.657 3.472 . 0 0 "[ . 1]" 5
122 1 54 GLY HA2 1 55 LYS H 3.000 . 3.500 2.652 2.193 3.529 0.029 10 0 "[ . 1]" 5
123 1 55 LYS HA 1 56 TYR H 4.000 . 4.500 3.081 2.472 3.571 . 0 0 "[ . 1]" 5
124 1 56 TYR HA 1 57 VAL H 3.000 . 3.500 2.983 2.702 3.573 0.073 10 0 "[ . 1]" 5
125 1 58 ALA HA 1 59 LYS H 4.000 . 4.500 2.196 2.137 2.255 . 0 0 "[ . 1]" 5
126 1 59 LYS HA 1 60 VAL H 3.000 . 3.500 2.301 2.193 2.488 . 0 0 "[ . 1]" 5
127 1 60 VAL HA 1 61 THR H 2.400 . 2.900 2.276 2.129 2.327 . 0 0 "[ . 1]" 5
128 1 61 THR HA 1 62 THR H 3.000 . 3.500 2.354 2.329 2.382 . 0 0 "[ . 1]" 5
129 1 62 THR HA 1 63 GLY H 2.400 . 2.900 2.331 2.225 2.489 . 0 0 "[ . 1]" 5
130 1 63 GLY HA3 1 64 GLY H 3.000 . 3.500 2.806 2.615 3.049 . 0 0 "[ . 1]" 5
131 1 63 GLY HA2 1 64 GLY H 3.000 . 3.500 2.377 2.207 2.522 . 0 0 "[ . 1]" 5
132 1 64 GLY HA3 1 65 THR H 3.000 . 3.500 2.393 2.225 2.534 . 0 0 "[ . 1]" 5
133 1 64 GLY HA2 1 65 THR H 3.000 . 3.500 2.750 2.612 2.962 . 0 0 "[ . 1]" 5
134 1 65 THR HA 1 66 ALA H 2.400 . 2.900 2.247 2.217 2.265 . 0 0 "[ . 1]" 5
135 1 66 ALA HA 1 67 ALA H 2.400 . 2.900 2.718 2.447 2.917 0.017 2 0 "[ . 1]" 5
136 1 67 ALA HA 1 68 ALA H 3.000 . 4.000 2.456 2.202 2.808 . 0 0 "[ . 1]" 5
137 1 69 SER HA 1 70 GLY H 4.000 . 4.500 3.099 2.437 3.556 . 0 0 "[ . 1]" 5
138 1 70 GLY HA3 1 71 GLY H 3.000 . 3.500 3.433 3.262 3.488 . 0 0 "[ . 1]" 5
139 1 70 GLY HA2 1 71 GLY H 3.000 . 3.500 2.219 2.104 2.267 . 0 0 "[ . 1]" 5
140 1 71 GLY HA3 1 72 CYS H 3.000 . 3.500 3.549 3.513 3.574 0.074 2 0 "[ . 1]" 5
141 1 71 GLY HA2 1 72 CYS H 3.000 . 3.500 2.790 2.609 2.962 . 0 0 "[ . 1]" 5
142 1 72 CYS HA 1 73 THR H 2.400 . 2.900 2.132 2.099 2.193 . 0 0 "[ . 1]" 5
143 1 73 THR HA 1 74 ILE H 2.400 . 2.900 2.216 2.105 2.281 . 0 0 "[ . 1]" 5
144 1 74 ILE HA 1 75 VAL H 2.400 . 2.900 2.182 2.153 2.232 . 0 0 "[ . 1]" 5
145 1 75 VAL HA 1 76 ALA H 2.400 . 2.900 2.134 2.118 2.161 . 0 0 "[ . 1]" 5
146 1 76 ALA HA 1 77 THR H 2.400 . 2.900 2.285 2.156 2.381 . 0 0 "[ . 1]" 5
147 1 77 THR HA 1 78 MET H 2.400 . 2.900 2.281 2.139 2.444 . 0 0 "[ . 1]" 5
148 1 78 MET HA 1 79 LYS H 2.400 . 2.900 2.188 2.168 2.211 . 0 0 "[ . 1]" 5
149 1 79 LYS HA 1 80 ALA H 2.400 . 2.900 2.283 2.110 2.558 . 0 0 "[ . 1]" 5
150 1 80 ALA HA 1 81 SER H 3.000 . 3.500 2.970 2.817 3.541 0.041 9 0 "[ . 1]" 5
151 1 81 SER HA 1 82 ASP H 3.000 . 3.500 3.121 3.099 3.131 . 0 0 "[ . 1]" 5
152 1 83 VAL HA 1 84 ALA H 2.400 . 2.900 2.440 2.138 2.714 . 0 0 "[ . 1]" 5
153 1 84 ALA HA 1 85 THR H 2.400 . 2.900 2.329 2.127 2.790 . 0 0 "[ . 1]" 5
154 1 86 PRO HA 1 87 LEU H 4.000 . 4.500 3.473 3.351 3.576 . 0 0 "[ . 1]" 5
155 1 87 LEU HA 1 88 ARG H 3.000 . 3.500 3.505 3.458 3.552 0.052 6 0 "[ . 1]" 5
156 1 88 ARG HA 1 89 GLY H 2.400 . 2.900 2.539 2.178 2.841 . 0 0 "[ . 1]" 5
157 1 89 GLY HA3 1 90 LYS H 4.000 . 4.500 2.698 2.171 3.349 . 0 0 "[ . 1]" 5
158 1 89 GLY HA2 1 90 LYS H 4.000 . 4.500 3.395 2.169 3.587 . 0 0 "[ . 1]" 5
159 1 90 LYS HA 1 91 THR H 3.000 . 3.500 2.814 2.602 2.956 . 0 0 "[ . 1]" 5
160 1 91 THR HA 1 92 LEU H 2.400 . 2.900 2.291 2.197 2.393 . 0 0 "[ . 1]" 5
161 1 92 LEU HA 1 93 THR H 2.400 . 2.900 2.213 2.142 2.360 . 0 0 "[ . 1]" 5
162 1 93 THR HA 1 94 LEU H 2.400 . 2.900 2.221 2.141 2.385 . 0 0 "[ . 1]" 5
163 1 94 LEU HA 1 95 THR H 2.400 . 2.900 2.353 2.155 2.667 . 0 0 "[ . 1]" 5
164 1 95 THR HA 1 96 LEU H 2.400 . 2.900 2.317 2.165 2.430 . 0 0 "[ . 1]" 5
165 1 96 LEU HA 1 97 GLY H 2.400 . 2.900 2.171 2.131 2.267 . 0 0 "[ . 1]" 5
166 1 97 GLY HA3 1 98 ASN H 4.000 . 4.500 3.474 2.703 3.586 . 0 0 "[ . 1]" 5
167 1 97 GLY HA2 1 98 ASN H 4.000 . 4.500 2.513 2.308 2.647 . 0 0 "[ . 1]" 5
168 1 98 ASN HA 1 99 ALA H 3.000 . 3.500 3.385 2.545 3.502 0.002 3 0 "[ . 1]" 5
169 1 99 ALA HA 1 100 ASP H 3.000 . 3.500 2.957 2.340 3.315 . 0 0 "[ . 1]" 5
170 1 100 ASP HA 1 101 LYS H 3.000 . 3.500 3.232 2.708 3.560 0.060 7 0 "[ . 1]" 5
171 1 101 LYS HA 1 102 GLY H 3.000 . 3.500 2.809 2.455 3.539 0.039 4 0 "[ . 1]" 5
172 1 102 GLY QA 1 103 SER H 4.000 . 5.000 2.320 2.119 2.844 . 0 0 "[ . 1]" 5
173 1 103 SER HA 1 104 TYR H 2.400 . 2.900 2.879 2.205 3.057 0.157 5 0 "[ . 1]" 5
174 1 104 TYR HA 1 105 THR H 2.400 . 3.400 2.158 2.117 2.231 . 0 0 "[ . 1]" 5
175 1 105 THR HA 1 106 TRP H 2.400 . 2.900 2.382 2.258 2.609 . 0 0 "[ . 1]" 5
176 1 106 TRP HA 1 107 ALA H 2.400 . 2.900 2.180 2.127 2.242 . 0 0 "[ . 1]" 5
177 1 107 ALA HA 1 108 CYS H 2.400 . 2.900 2.214 2.145 2.604 . 0 0 "[ . 1]" 5
178 1 108 CYS HA 1 109 THR H 2.400 . 2.900 2.167 2.092 2.354 . 0 0 "[ . 1]" 5
179 1 109 THR HA 1 110 SER H 2.400 . 2.900 2.375 2.151 2.540 . 0 0 "[ . 1]" 5
180 1 110 SER HA 1 111 ASN H 2.400 . 2.900 2.240 2.167 2.325 . 0 0 "[ . 1]" 5
181 1 111 ASN HA 1 112 ALA H 4.000 . 4.500 2.569 2.526 2.648 . 0 0 "[ . 1]" 5
182 1 112 ALA HA 1 113 ASP H 3.000 . 3.500 2.396 2.141 2.812 . 0 0 "[ . 1]" 5
183 1 113 ASP HA 1 114 ASN H 2.400 . 2.900 2.374 2.144 2.906 0.006 5 0 "[ . 1]" 5
184 1 114 ASN HA 1 115 LYS H 2.400 . 3.100 2.511 2.337 2.939 . 0 0 "[ . 1]" 5
185 1 121 CYS HA 1 122 GLN H 3.000 . 3.500 2.319 2.135 2.682 . 0 0 "[ . 1]" 5
186 1 122 GLN HA 1 123 THR H 4.000 . 4.500 2.653 2.310 3.558 . 0 0 "[ . 1]" 5
187 1 123 THR HA 1 124 ALA H 3.000 . 3.500 2.152 2.134 2.213 . 0 0 "[ . 1]" 5
188 1 3 GLU HB3 1 4 GLY H 4.000 . 4.500 2.705 2.007 4.445 . 0 0 "[ . 1]" 5
189 1 3 GLU HB2 1 4 GLY H 4.000 . 4.500 3.478 2.297 4.127 . 0 0 "[ . 1]" 5
190 1 10 ALA MB 1 11 GLN H 3.000 . 4.500 3.115 2.310 3.724 . 0 0 "[ . 1]" 5
191 1 11 GLN QB 1 12 LEU H 3.000 . 4.000 2.865 2.731 3.525 . 0 0 "[ . 1]" 5
192 1 12 LEU HB3 1 13 SER H 3.000 . 3.500 2.395 2.144 2.587 . 0 0 "[ . 1]" 5
193 1 12 LEU HB2 1 13 SER H 3.000 . 3.500 3.500 3.479 3.517 0.017 9 0 "[ . 1]" 5
194 1 14 GLU HB3 1 15 ALA H 4.000 . 4.500 2.868 2.776 2.975 . 0 0 "[ . 1]" 5
195 1 14 GLU HB2 1 15 ALA H 4.000 . 4.500 3.815 3.682 3.921 . 0 0 "[ . 1]" 5
196 1 15 ALA MB 1 16 MET H 4.000 . 5.000 2.138 2.059 2.299 . 0 0 "[ . 1]" 5
197 1 16 MET QB 1 17 THR H 3.000 . 4.000 3.096 2.499 3.511 . 0 0 "[ . 1]" 5
198 1 17 THR HB 1 18 LEU H 4.000 . 4.500 2.552 2.295 2.732 . 0 0 "[ . 1]" 5
199 1 18 LEU QB 1 19 ALA H 3.000 . 4.000 2.725 2.499 2.814 . 0 0 "[ . 1]" 5
200 1 19 ALA MB 1 20 SER H 3.000 . 4.000 2.301 2.147 2.559 . 0 0 "[ . 1]" 5
201 1 20 SER QB 1 21 GLY H 4.000 . 5.000 2.713 2.289 3.249 . 0 0 "[ . 1]" 5
202 1 22 LEU QB 1 23 LYS H 4.000 . 5.000 2.526 2.191 2.934 . 0 0 "[ . 1]" 5
203 1 23 LYS HB3 1 24 THR H 4.000 . 4.500 3.588 2.544 4.085 . 0 0 "[ . 1]" 5
204 1 23 LYS HB2 1 24 THR H 4.000 . 4.500 3.112 2.243 3.721 . 0 0 "[ . 1]" 5
205 1 25 LYS QB 1 26 VAL H 4.000 . 5.000 2.372 2.215 2.510 . 0 0 "[ . 1]" 5
206 1 28 ASP HB3 1 29 ILE H 4.000 . 4.500 3.598 2.974 3.860 . 0 0 "[ . 1]" 5
207 1 28 ASP HB2 1 29 ILE H 4.000 . 4.500 2.954 2.552 3.619 . 0 0 "[ . 1]" 5
208 1 29 ILE HB 1 30 PHE H 4.000 . 4.500 2.546 2.140 2.901 . 0 0 "[ . 1]" 5
209 1 30 PHE HB3 1 31 SER H 4.000 . 4.500 2.997 2.876 3.223 . 0 0 "[ . 1]" 5
210 1 30 PHE HB2 1 31 SER H 4.000 . 4.500 4.168 4.116 4.231 . 0 0 "[ . 1]" 5
211 1 32 GLN QB 1 33 ASP H 3.000 . 4.000 2.363 1.861 3.150 . 0 0 "[ . 1]" 5
212 1 33 ASP HB3 1 34 GLY H 5.000 . 5.500 3.889 3.416 4.344 . 0 0 "[ . 1]" 5
213 1 33 ASP HB2 1 34 GLY H 5.000 . 5.500 3.347 2.854 4.047 . 0 0 "[ . 1]" 5
214 1 35 SER HB3 1 36 CYS H 3.000 . 4.000 2.529 2.289 2.811 . 0 0 "[ . 1]" 5
215 1 35 SER HB2 1 36 CYS H 4.000 2.800 4.500 3.491 3.452 3.522 . 0 0 "[ . 1]" 5
216 1 37 PRO QB 1 38 ALA H 4.000 . 5.000 2.239 1.950 3.691 . 0 0 "[ . 1]" 5
217 1 38 ALA MB 1 39 ASN H 3.000 . 4.500 3.317 2.791 3.709 . 0 0 "[ . 1]" 5
218 1 39 ASN HB3 1 40 THR H 5.000 . 5.500 4.231 3.888 4.325 . 0 0 "[ . 1]" 5
219 1 39 ASN HB2 1 40 THR H 5.000 . 5.500 4.456 4.171 4.581 . 0 0 "[ . 1]" 5
220 1 44 ALA MB 1 45 GLY H 2.400 . 3.400 2.406 2.046 2.774 . 0 0 "[ . 1]" 5
221 1 48 LYS HB3 1 49 ASP H 5.000 . 5.500 3.716 2.806 4.435 . 0 0 "[ . 1]" 5
222 1 48 LYS HB2 1 49 ASP H 5.000 . 5.500 2.729 2.039 3.722 . 0 0 "[ . 1]" 5
223 1 50 THR HB 1 51 ASP H 5.000 . 5.500 4.134 2.883 4.620 . 0 0 "[ . 1]" 5
224 1 51 ASP HB3 1 52 ILE H 5.000 . 5.500 3.138 2.138 3.932 . 0 0 "[ . 1]" 5
225 1 51 ASP HB2 1 52 ILE H 5.000 . 5.500 2.307 2.039 3.033 . 0 0 "[ . 1]" 5
226 1 52 ILE HB 1 53 ASN H 5.000 . 5.500 4.407 4.334 4.461 . 0 0 "[ . 1]" 5
227 1 53 ASN HB3 1 54 GLY H 4.000 . 4.500 3.562 2.474 4.273 . 0 0 "[ . 1]" 5
228 1 53 ASN HB2 1 54 GLY H 4.000 . 4.500 3.266 2.000 4.492 . 0 0 "[ . 1]" 5
229 1 55 LYS QB 1 56 TYR H 4.000 . 5.000 3.108 2.187 4.008 . 0 0 "[ . 1]" 5
230 1 56 TYR HB3 1 57 VAL H 5.000 . 5.500 4.146 2.848 4.517 . 0 0 "[ . 1]" 5
231 1 56 TYR HB2 1 57 VAL H 5.000 . 5.500 3.887 2.482 4.379 . 0 0 "[ . 1]" 5
232 1 57 VAL HB 1 58 ALA H 4.000 . 4.500 4.517 4.372 4.544 0.044 4 0 "[ . 1]" 5
233 1 58 ALA MB 1 59 LYS H 4.000 . 5.000 3.013 2.724 3.581 . 0 0 "[ . 1]" 5
234 1 59 LYS QB 1 60 VAL H 4.000 . 5.000 3.916 3.729 3.968 . 0 0 "[ . 1]" 5
235 1 60 VAL HB 1 61 THR H 4.000 . 4.500 3.709 3.531 4.134 . 0 0 "[ . 1]" 5
236 1 61 THR HB 1 62 THR H 5.000 . 5.500 3.562 3.457 3.610 . 0 0 "[ . 1]" 5
237 1 65 THR HB 1 66 ALA H 4.000 . 4.500 4.425 4.415 4.431 . 0 0 "[ . 1]" 5
238 1 66 ALA MB 1 67 ALA H 2.400 . 2.900 2.015 1.897 2.389 . 0 0 "[ . 1]" 5
239 1 68 ALA MB 1 69 SER H 3.000 . 4.500 3.443 2.459 3.723 . 0 0 "[ . 1]" 5
240 1 69 SER QB 1 70 GLY H 3.000 . 4.500 3.700 2.390 4.032 . 0 0 "[ . 1]" 5
241 1 72 CYS HB3 1 73 THR H 4.000 . 4.500 3.472 3.052 3.956 . 0 0 "[ . 1]" 5
242 1 72 CYS HB2 1 73 THR H 4.000 . 4.500 4.333 4.067 4.578 0.078 3 0 "[ . 1]" 5
243 1 73 THR HB 1 74 ILE H 4.000 . 4.500 4.012 3.810 4.245 . 0 0 "[ . 1]" 5
244 1 74 ILE HB 1 75 VAL H 5.000 . 5.500 4.093 4.046 4.172 . 0 0 "[ . 1]" 5
245 1 75 VAL HB 1 76 ALA H 5.000 . 5.500 4.257 4.034 4.397 . 0 0 "[ . 1]" 5
246 1 76 ALA MB 1 77 THR H 3.000 . 4.000 2.745 2.505 3.301 . 0 0 "[ . 1]" 5
247 1 77 THR HB 1 78 MET H 4.000 . 4.500 3.538 3.031 4.060 . 0 0 "[ . 1]" 5
248 1 78 MET HB3 1 79 LYS H 4.000 . 4.500 3.708 3.480 3.890 . 0 0 "[ . 1]" 5
249 1 78 MET HB2 1 79 LYS H 4.000 . 4.500 4.348 4.243 4.433 . 0 0 "[ . 1]" 5
250 1 79 LYS QB 1 80 ALA H 3.000 . 4.000 2.686 2.037 3.267 . 0 0 "[ . 1]" 5
251 1 80 ALA MB 1 81 SER H 3.000 . 4.500 3.468 1.940 3.672 . 0 0 "[ . 1]" 5
252 1 81 SER QB 1 82 ASP H 3.000 . 4.500 2.095 1.893 2.311 . 0 0 "[ . 1]" 5
253 1 83 VAL HB 1 84 ALA H 2.400 . 3.400 2.478 1.945 3.406 0.006 8 0 "[ . 1]" 5
254 1 84 ALA MB 1 85 THR H 4.000 . 5.000 2.765 1.959 3.591 . 0 0 "[ . 1]" 5
255 1 87 LEU QB 1 88 ARG H 2.400 . 3.400 2.606 1.951 3.046 . 0 0 "[ . 1]" 5
256 1 88 ARG QB 1 89 GLY H 3.000 . 4.000 2.274 1.930 3.595 . 0 0 "[ . 1]" 5
257 1 90 LYS HB3 1 91 THR H 3.000 . 3.500 2.122 1.924 3.475 . 0 0 "[ . 1]" 5
258 1 90 LYS HB2 1 91 THR H 3.000 . 3.500 2.878 1.992 3.515 0.015 5 0 "[ . 1]" 5
259 1 91 THR HB 1 92 LEU H 3.000 . 3.500 2.853 2.332 3.540 0.040 4 0 "[ . 1]" 5
260 1 92 LEU QB 1 93 THR H 4.000 . 5.000 3.635 2.678 3.989 . 0 0 "[ . 1]" 5
261 1 93 THR HB 1 94 LEU H 5.000 . 5.500 3.821 3.473 4.163 . 0 0 "[ . 1]" 5
262 1 94 LEU HB3 1 95 THR H 5.000 . 5.500 3.054 2.145 3.729 . 0 0 "[ . 1]" 5
263 1 94 LEU HB2 1 95 THR H 5.000 . 5.500 3.910 1.999 4.529 . 0 0 "[ . 1]" 5
264 1 95 THR HB 1 96 LEU H 4.000 . 4.500 3.533 3.205 3.898 . 0 0 "[ . 1]" 5
265 1 96 LEU HB3 1 97 GLY H 4.000 . 4.500 3.880 3.655 4.024 . 0 0 "[ . 1]" 5
266 1 96 LEU HB2 1 97 GLY H 4.000 . 4.500 4.400 4.157 4.541 0.041 10 0 "[ . 1]" 5
267 1 98 ASN HB3 1 99 ALA H 5.000 . 5.500 4.019 3.037 4.643 . 0 0 "[ . 1]" 5
268 1 98 ASN HB2 1 99 ALA H 5.000 . 5.500 4.013 3.744 4.354 . 0 0 "[ . 1]" 5
269 1 99 ALA MB 1 100 ASP H 4.000 . 5.000 3.523 3.291 3.689 . 0 0 "[ . 1]" 5
270 1 100 ASP HB3 1 101 LYS H 5.000 . 5.500 3.370 2.107 4.623 . 0 0 "[ . 1]" 5
271 1 100 ASP HB2 1 101 LYS H 5.000 . 5.500 4.087 3.533 4.629 . 0 0 "[ . 1]" 5
272 1 101 LYS QB 1 102 GLY H 4.000 . 5.000 3.874 2.665 4.049 . 0 0 "[ . 1]" 5
273 1 103 SER HB3 1 104 TYR H 4.000 . 4.500 4.102 3.958 4.412 . 0 0 "[ . 1]" 5
274 1 103 SER HB2 1 104 TYR H 4.000 . 4.500 4.507 4.436 4.588 0.088 5 0 "[ . 1]" 5
275 1 104 TYR HB3 1 105 THR H 3.000 . 3.500 2.953 2.579 3.148 . 0 0 "[ . 1]" 5
276 1 104 TYR HB2 1 105 THR H 3.000 . 4.000 3.997 3.705 4.072 0.072 6 0 "[ . 1]" 5
277 1 105 THR HB 1 106 TRP H 3.000 . 3.500 3.467 2.834 3.655 0.155 2 0 "[ . 1]" 5
278 1 107 ALA MB 1 108 CYS H 4.000 . 5.000 3.311 2.364 3.631 . 0 0 "[ . 1]" 5
279 1 108 CYS HB3 1 109 THR H 5.000 . 5.500 3.737 2.540 4.213 . 0 0 "[ . 1]" 5
280 1 108 CYS HB2 1 109 THR H 5.000 . 5.500 3.522 2.817 4.093 . 0 0 "[ . 1]" 5
281 1 109 THR HB 1 110 SER H 4.000 . 4.500 4.467 4.258 4.596 0.096 10 0 "[ . 1]" 5
282 1 110 SER HB3 1 111 ASN H 4.000 . 4.500 3.845 3.612 4.086 . 0 0 "[ . 1]" 5
283 1 110 SER HB2 1 111 ASN H 4.000 . 4.500 3.784 3.671 4.183 . 0 0 "[ . 1]" 5
284 1 113 ASP QB 1 114 ASN H 4.000 . 5.000 3.772 3.484 3.994 . 0 0 "[ . 1]" 5
285 1 115 LYS QB 1 116 TYR H 4.000 . 5.000 3.321 2.542 4.030 . 0 0 "[ . 1]" 5
286 1 123 THR HB 1 124 ALA H 4.000 . 4.500 4.006 3.302 4.479 . 0 0 "[ . 1]" 5
287 1 120 THR HB 1 121 CYS H 4.000 . 4.500 3.253 1.989 3.933 . 0 0 "[ . 1]" 5
288 1 121 CYS QB 1 122 GLN H 3.000 . 4.000 2.804 1.961 3.564 . 0 0 "[ . 1]" 5
289 1 122 GLN HB3 1 123 THR H 3.000 . 3.500 2.719 1.987 3.547 0.047 6 0 "[ . 1]" 5
290 1 122 GLN HB2 1 123 THR H 3.000 . 3.500 2.913 1.992 3.804 0.304 6 0 "[ . 1]" 5
291 1 3 GLU QG 1 4 GLY H 4.000 . 5.000 3.893 3.582 4.424 . 0 0 "[ . 1]" 5
292 1 16 MET QG 1 17 THR H 3.000 . 4.000 2.688 2.008 3.652 . 0 0 "[ . 1]" 5
293 1 23 LYS QG 1 24 THR H 4.000 . 5.000 3.227 1.949 4.395 . 0 0 "[ . 1]" 5
294 1 24 THR MG 1 25 LYS H 4.000 . 5.000 2.846 2.016 4.151 . 0 0 "[ . 1]" 5
295 1 29 ILE QG 1 30 PHE H 5.000 . 6.000 3.998 3.778 4.445 . 0 0 "[ . 1]" 5
296 1 29 ILE MG 1 30 PHE H 4.000 . 5.000 3.436 3.054 3.750 . 0 0 "[ . 1]" 5
297 1 32 GLN HG3 1 33 ASP H 5.000 . 5.500 2.871 1.946 4.268 . 0 0 "[ . 1]" 5
298 1 32 GLN HG2 1 33 ASP H 5.000 . 5.500 3.811 2.197 4.607 . 0 0 "[ . 1]" 5
299 1 46 ILE HG13 1 47 GLU H 5.000 . 5.500 4.769 4.397 4.950 . 0 0 "[ . 1]" 5
300 1 46 ILE HG12 1 47 GLU H 5.000 . 5.500 4.315 3.830 4.963 . 0 0 "[ . 1]" 5
301 1 46 ILE MG 1 47 GLU H 4.000 . 5.000 2.374 1.872 3.804 . 0 0 "[ . 1]" 5
302 1 50 THR MG 1 51 ASP H 5.000 . 6.000 3.312 1.940 4.161 . 0 0 "[ . 1]" 5
303 1 52 ILE MG 1 53 ASN H 3.000 . 4.500 3.467 3.135 3.797 . 0 0 "[ . 1]" 5
304 1 55 LYS QG 1 56 TYR H 4.000 . 5.000 4.099 3.534 4.472 . 0 0 "[ . 1]" 5
305 1 57 VAL MG1 1 58 ALA H 5.000 . 6.000 3.457 3.191 4.348 . 0 0 "[ . 1]" 5
306 1 57 VAL MG2 1 58 ALA H 5.000 . 6.000 4.104 3.331 4.202 . 0 0 "[ . 1]" 5
307 1 60 VAL MG1 1 61 THR H 4.000 . 4.500 2.069 1.900 2.669 . 0 0 "[ . 1]" 5
308 1 60 VAL MG2 1 61 THR H 4.000 . 5.000 3.941 3.868 4.157 . 0 0 "[ . 1]" 5
309 1 61 THR MG 1 62 THR H 3.000 . 4.000 1.904 1.876 1.923 . 0 0 "[ . 1]" 5
310 1 65 THR MG 1 66 ALA H 3.000 . 4.000 3.331 3.285 3.350 . 0 0 "[ . 1]" 5
311 1 73 THR MG 1 74 ILE H 4.000 . 5.000 4.065 3.821 4.179 . 0 0 "[ . 1]" 5
312 1 74 ILE HG13 1 75 VAL H 5.000 . 5.500 4.157 3.862 4.259 . 0 0 "[ . 1]" 5
313 1 74 ILE HG12 1 75 VAL H 5.000 . 5.500 4.974 4.673 5.061 . 0 0 "[ . 1]" 5
314 1 75 VAL MG1 1 76 ALA H 4.000 . 5.000 3.494 2.348 4.101 . 0 0 "[ . 1]" 5
315 1 75 VAL MG2 1 76 ALA H 4.000 . 5.000 3.296 2.361 4.151 . 0 0 "[ . 1]" 5
316 1 77 THR MG 1 78 MET H 3.000 . 4.000 2.091 1.924 2.601 . 0 0 "[ . 1]" 5
317 1 78 MET QG 1 79 LYS H 5.000 . 6.000 4.505 4.152 4.806 . 0 0 "[ . 1]" 5
318 1 83 VAL QG 1 84 ALA H 4.000 . 5.500 3.153 2.808 3.581 . 0 0 "[ . 1]" 5
319 1 86 PRO HG3 1 87 LEU H 5.000 . 6.000 4.181 3.532 4.648 . 0 0 "[ . 1]" 5
320 1 86 PRO HG2 1 87 LEU H 5.000 . 6.000 2.963 2.020 3.569 . 0 0 "[ . 1]" 5
321 1 87 LEU HG 1 88 ARG H 5.000 . 5.500 4.560 4.235 5.134 . 0 0 "[ . 1]" 5
322 1 90 LYS QG 1 91 THR H 4.000 . 5.000 3.634 2.672 4.008 . 0 0 "[ . 1]" 5
323 1 92 LEU HG 1 93 THR H 3.000 . 3.500 2.994 1.975 3.525 0.025 3 0 "[ . 1]" 5
324 1 94 LEU HG 1 95 THR H 5.000 . 5.500 4.063 2.765 5.416 . 0 0 "[ . 1]" 5
325 1 96 LEU HG 1 97 GLY H 5.000 . 5.500 2.993 2.262 3.536 . 0 0 "[ . 1]" 5
326 1 101 LYS QG 1 102 GLY H 4.000 . 5.000 3.910 3.533 4.460 . 0 0 "[ . 1]" 5
327 1 105 THR MG 1 106 TRP H 3.000 . 4.000 2.320 1.906 3.380 . 0 0 "[ . 1]" 5
328 1 109 THR MG 1 110 SER H 5.000 . 6.000 3.775 2.974 4.125 . 0 0 "[ . 1]" 5
329 1 110 SER HG 1 111 ASN H 3.000 . 3.500 2.500 1.994 3.199 . 0 0 "[ . 1]" 5
330 1 122 GLN QG 1 123 THR H 5.000 . 6.000 3.327 1.961 4.119 . 0 0 "[ . 1]" 5
331 1 123 THR MG 1 124 ALA H 4.000 . 5.000 3.696 2.623 4.172 . 0 0 "[ . 1]" 5
332 1 7 PHE QD 1 8 ALA H 5.000 . 6.000 4.211 2.775 4.870 . 0 0 "[ . 1]" 5
333 1 18 LEU MD1 1 19 ALA H 5.000 . 6.000 4.600 3.703 4.948 . 0 0 "[ . 1]" 5
334 1 18 LEU MD2 1 19 ALA H 5.000 . 6.000 4.245 3.358 4.803 . 0 0 "[ . 1]" 5
335 1 30 PHE QD 1 31 SER H 4.000 . 5.000 3.550 3.025 4.196 . 0 0 "[ . 1]" 5
336 1 46 ILE MD 1 47 GLU H 4.000 . 5.200 4.339 3.613 4.468 . 0 0 "[ . 1]" 5
337 1 79 LYS QD 1 80 ALA H 3.000 . 4.000 3.559 3.390 3.591 . 0 0 "[ . 1]" 5
338 1 92 LEU MD1 1 93 THR H 5.000 . 6.000 4.261 3.742 4.609 . 0 0 "[ . 1]" 5
339 1 92 LEU MD2 1 93 THR H 5.000 . 6.000 3.791 2.510 4.753 . 0 0 "[ . 1]" 5
340 1 94 LEU MD1 1 95 THR H 5.000 . 6.000 3.845 2.491 4.889 . 0 0 "[ . 1]" 5
341 1 94 LEU MD2 1 95 THR H 5.000 . 6.000 3.996 2.464 4.725 . 0 0 "[ . 1]" 5
342 1 96 LEU MD1 1 97 GLY H 5.000 . 6.000 4.519 3.949 4.902 . 0 0 "[ . 1]" 5
343 1 96 LEU MD2 1 97 GLY H 5.000 . 6.000 3.232 2.949 3.471 . 0 0 "[ . 1]" 5
344 1 104 TYR QD 1 105 THR H 5.000 . 6.000 3.931 3.758 4.118 . 0 0 "[ . 1]" 5
345 1 36 CYS HA 1 37 PRO QD 5.000 . 5.500 2.229 2.097 2.368 . 0 0 "[ . 1]" 5
346 1 85 THR H 1 86 PRO QD 5.000 . 6.000 3.824 2.224 4.357 . 0 0 "[ . 1]" 5
347 1 85 THR HA 1 86 PRO HD3 4.000 . 4.500 2.317 2.010 3.852 . 0 0 "[ . 1]" 5
348 1 85 THR HA 1 86 PRO HD2 4.000 . 4.500 2.920 2.189 4.030 . 0 0 "[ . 1]" 5
349 1 30 PHE QD 1 31 SER HA 4.000 . 5.000 3.365 2.864 4.181 . 0 0 "[ . 1]" 5
350 1 30 PHE QB 1 31 SER HA 4.000 . 5.000 4.365 4.248 4.448 . 0 0 "[ . 1]" 5
351 1 72 CYS HA 1 73 THR MG 5.000 . 6.000 4.106 3.307 5.000 . 0 0 "[ . 1]" 5
352 1 98 ASN HD21 1 99 ALA HA 5.000 . 5.500 4.821 3.335 5.530 0.030 5 0 "[ . 1]" 5
353 1 98 ASN HD21 1 99 ALA MB 5.000 . 6.000 4.835 3.977 5.083 . 0 0 "[ . 1]" 5
354 1 98 ASN HD22 1 99 ALA HA 5.000 . 5.500 4.880 3.740 5.669 0.169 8 0 "[ . 1]" 5
355 1 98 ASN HD22 1 99 ALA MB 5.000 . 6.500 5.186 4.805 5.457 . 0 0 "[ . 1]" 5
356 1 105 THR HA 1 106 TRP HD1 4.000 . 4.500 3.652 3.318 3.905 . 0 0 "[ . 1]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 91
_Distance_constraint_stats_list.Viol_total 27.079
_Distance_constraint_stats_list.Viol_max 0.179
_Distance_constraint_stats_list.Viol_rms 0.0177
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0298
_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 10 ALA 0.020 0.019 3 0 "[ . 1]"
1 11 GLN 0.011 0.011 6 0 "[ . 1]"
1 12 LEU 0.027 0.019 7 0 "[ . 1]"
1 13 SER 0.000 0.000 . 0 "[ . 1]"
1 14 GLU 0.044 0.019 3 0 "[ . 1]"
1 15 ALA 0.011 0.011 6 0 "[ . 1]"
1 16 MET 0.064 0.024 7 0 "[ . 1]"
1 17 THR 0.021 0.010 5 0 "[ . 1]"
1 18 LEU 0.023 0.012 4 0 "[ . 1]"
1 19 ALA 0.008 0.008 9 0 "[ . 1]"
1 20 SER 0.124 0.024 7 0 "[ . 1]"
1 21 GLY 0.027 0.010 5 0 "[ . 1]"
1 22 LEU 0.068 0.028 7 0 "[ . 1]"
1 23 LYS 0.123 0.044 7 0 "[ . 1]"
1 24 THR 0.088 0.020 7 0 "[ . 1]"
1 25 LYS 0.006 0.006 7 0 "[ . 1]"
1 26 VAL 0.756 0.179 1 0 "[ . 1]"
1 27 SER 0.115 0.044 7 0 "[ . 1]"
1 30 PHE 0.688 0.179 1 0 "[ . 1]"
1 59 LYS 0.101 0.029 3 0 "[ . 1]"
1 61 THR 0.103 0.030 1 0 "[ . 1]"
1 72 CYS 0.031 0.031 8 0 "[ . 1]"
1 74 ILE 0.075 0.034 6 0 "[ . 1]"
1 75 VAL 0.103 0.030 1 0 "[ . 1]"
1 76 ALA 0.094 0.039 1 0 "[ . 1]"
1 77 THR 0.101 0.029 3 0 "[ . 1]"
1 91 THR 0.960 0.163 7 0 "[ . 1]"
1 92 LEU 0.094 0.039 1 0 "[ . 1]"
1 93 THR 0.115 0.049 2 0 "[ . 1]"
1 94 LEU 0.075 0.034 6 0 "[ . 1]"
1 95 THR 0.115 0.060 4 0 "[ . 1]"
1 96 LEU 0.031 0.031 8 0 "[ . 1]"
1 107 ALA 0.115 0.060 4 0 "[ . 1]"
1 109 THR 0.115 0.049 2 0 "[ . 1]"
1 111 ASN 0.960 0.163 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 ALA O 1 14 GLU H 2.200 . 2.400 2.075 1.718 2.419 0.019 3 0 "[ . 1]" 6
2 1 10 ALA O 1 14 GLU N 3.300 2.500 3.500 3.021 2.592 3.381 . 0 0 "[ . 1]" 6
3 1 11 GLN O 1 15 ALA H 2.200 . 2.400 2.083 1.830 2.411 0.011 6 0 "[ . 1]" 6
4 1 11 GLN O 1 15 ALA N 3.300 2.500 3.500 2.851 2.596 3.187 . 0 0 "[ . 1]" 6
5 1 12 LEU O 1 16 MET H 2.200 . 2.400 2.353 2.109 2.419 0.019 7 0 "[ . 1]" 6
6 1 12 LEU O 1 16 MET N 3.300 2.500 3.500 3.316 3.081 3.369 . 0 0 "[ . 1]" 6
7 1 13 SER O 1 17 THR H 2.200 . 2.400 2.122 1.737 2.381 . 0 0 "[ . 1]" 6
8 1 13 SER O 1 17 THR N 3.300 2.500 3.500 3.020 2.688 3.251 . 0 0 "[ . 1]" 6
9 1 14 GLU O 1 18 LEU H 2.200 . 2.400 1.825 1.688 2.140 0.012 4 0 "[ . 1]" 6
10 1 14 GLU O 1 18 LEU N 3.300 2.500 3.500 2.701 2.593 3.006 . 0 0 "[ . 1]" 6
11 1 15 ALA O 1 19 ALA H 2.200 . 2.400 2.055 1.710 2.292 . 0 0 "[ . 1]" 6
12 1 15 ALA O 1 19 ALA N 3.300 2.500 3.500 2.914 2.597 3.154 . 0 0 "[ . 1]" 6
13 1 16 MET O 1 20 SER H 2.200 . 2.400 2.323 1.884 2.424 0.024 7 0 "[ . 1]" 6
14 1 16 MET O 1 20 SER N 3.300 2.500 3.500 3.259 2.833 3.374 . 0 0 "[ . 1]" 6
15 1 17 THR O 1 21 GLY H 2.200 . 2.400 2.269 1.778 2.410 0.010 5 0 "[ . 1]" 6
16 1 17 THR O 1 21 GLY N 3.300 2.500 3.500 3.165 2.685 3.382 . 0 0 "[ . 1]" 6
17 1 18 LEU O 1 22 LEU H 2.200 . 2.400 1.961 1.790 2.167 . 0 0 "[ . 1]" 6
18 1 18 LEU O 1 22 LEU N 3.300 2.500 3.500 2.738 2.595 2.943 . 0 0 "[ . 1]" 6
19 1 19 ALA O 1 23 LYS H 2.200 . 2.400 2.286 2.028 2.408 0.008 9 0 "[ . 1]" 6
20 1 19 ALA O 1 23 LYS N 3.300 2.500 3.500 3.199 2.996 3.316 . 0 0 "[ . 1]" 6
21 1 20 SER O 1 24 THR H 2.200 . 2.400 2.383 2.174 2.420 0.020 7 0 "[ . 1]" 6
22 1 20 SER O 1 24 THR N 3.300 2.500 3.500 3.316 3.152 3.380 . 0 0 "[ . 1]" 6
23 1 21 GLY O 1 25 LYS H 2.200 . 2.400 2.190 1.860 2.406 0.006 7 0 "[ . 1]" 6
24 1 21 GLY O 1 25 LYS N 3.300 2.500 3.500 2.984 2.664 3.296 . 0 0 "[ . 1]" 6
25 1 22 LEU O 1 26 VAL H 2.200 . 2.400 1.902 1.672 2.291 0.028 7 0 "[ . 1]" 6
26 1 22 LEU O 1 26 VAL N 3.300 2.500 3.500 2.870 2.630 3.252 . 0 0 "[ . 1]" 6
27 1 23 LYS O 1 27 SER H 2.200 . 2.400 2.240 1.830 2.444 0.044 7 0 "[ . 1]" 6
28 1 23 LYS O 1 27 SER N 3.300 2.500 3.500 3.124 2.730 3.378 . 0 0 "[ . 1]" 6
29 1 26 VAL O 1 30 PHE H 2.200 . 2.400 2.469 2.428 2.579 0.179 1 0 "[ . 1]" 6
30 1 26 VAL O 1 30 PHE N 3.300 2.500 5.500 3.358 3.278 3.494 . 0 0 "[ . 1]" 6
31 1 59 LYS O 1 77 THR H 2.200 . 2.400 2.302 2.037 2.417 0.017 3 0 "[ . 1]" 6
32 1 59 LYS O 1 77 THR N 3.300 2.500 3.500 2.840 2.595 3.256 . 0 0 "[ . 1]" 6
33 1 61 THR O 1 75 VAL H 2.200 . 2.400 2.387 2.310 2.410 0.010 4 0 "[ . 1]" 6
34 1 61 THR O 1 75 VAL N 3.300 2.500 3.500 3.257 3.189 3.312 . 0 0 "[ . 1]" 6
35 1 72 CYS O 1 96 LEU H 2.200 . 2.400 2.157 1.799 2.431 0.031 8 0 "[ . 1]" 6
36 1 72 CYS O 1 96 LEU N 3.300 2.500 3.500 2.937 2.588 3.169 . 0 0 "[ . 1]" 6
37 1 74 ILE O 1 94 LEU H 2.200 . 2.400 1.895 1.694 2.094 0.006 7 0 "[ . 1]" 6
38 1 74 ILE O 1 94 LEU N 3.300 2.500 3.500 2.826 2.649 3.059 . 0 0 "[ . 1]" 6
39 1 61 THR H 1 75 VAL O 2.200 . 2.400 2.311 2.049 2.430 0.030 1 0 "[ . 1]" 6
40 1 61 THR N 1 75 VAL O 3.300 2.500 3.500 3.164 2.941 3.291 . 0 0 "[ . 1]" 6
41 1 76 ALA O 1 92 LEU H 2.200 . 2.400 1.719 1.661 1.780 0.039 1 0 "[ . 1]" 6
42 1 76 ALA O 1 92 LEU N 3.300 2.500 3.500 2.644 2.580 2.729 . 0 0 "[ . 1]" 6
43 1 59 LYS H 1 77 THR O 2.200 . 2.400 1.847 1.671 2.260 0.029 3 0 "[ . 1]" 6
44 1 59 LYS N 1 77 THR O 3.300 2.500 3.500 2.687 2.587 3.070 . 0 0 "[ . 1]" 6
45 1 91 THR O 1 111 ASN H 2.200 . 2.400 2.014 1.789 2.161 . 0 0 "[ . 1]" 6
46 1 91 THR O 1 111 ASN N 3.300 2.500 3.500 2.754 2.614 2.968 . 0 0 "[ . 1]" 6
47 1 76 ALA H 1 92 LEU O 2.200 . 2.400 1.851 1.699 2.156 0.001 5 0 "[ . 1]" 6
48 1 76 ALA N 1 92 LEU O 3.300 2.500 3.500 2.736 2.584 3.056 . 0 0 "[ . 1]" 6
49 1 93 THR O 1 109 THR H 2.200 . 2.400 2.123 1.869 2.305 . 0 0 "[ . 1]" 6
50 1 93 THR O 1 109 THR N 3.300 2.500 3.500 2.824 2.579 3.140 . 0 0 "[ . 1]" 6
51 1 74 ILE H 1 94 LEU O 2.200 . 2.400 2.277 1.925 2.434 0.034 6 0 "[ . 1]" 6
52 1 74 ILE N 1 94 LEU O 3.300 2.500 3.500 3.020 2.707 3.316 . 0 0 "[ . 1]" 6
53 1 95 THR O 1 107 ALA H 2.200 . 2.400 2.037 1.640 2.403 0.060 4 0 "[ . 1]" 6
54 1 95 THR O 1 107 ALA N 3.300 2.500 3.500 2.953 2.599 3.236 . 0 0 "[ . 1]" 6
55 1 95 THR H 1 107 ALA O 2.200 . 2.400 2.054 1.840 2.434 0.034 3 0 "[ . 1]" 6
56 1 95 THR N 1 107 ALA O 3.300 2.500 3.500 2.833 2.586 3.386 . 0 0 "[ . 1]" 6
57 1 93 THR H 1 109 THR O 2.200 . 2.400 2.124 1.738 2.449 0.049 2 0 "[ . 1]" 6
58 1 93 THR N 1 109 THR O 3.300 2.500 3.500 2.888 2.570 3.300 . 0 0 "[ . 1]" 6
59 1 91 THR H 1 111 ASN O 2.200 . 2.400 2.496 2.435 2.563 0.163 7 0 "[ . 1]" 6
60 1 91 THR N 1 111 ASN O 3.300 2.500 3.500 3.337 3.253 3.433 . 0 0 "[ . 1]" 6
stop_
save_
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