NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548183 |
2lpy   |
18282 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lpy
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 481
_Distance_constraint_stats_list.Viol_count 3343
_Distance_constraint_stats_list.Viol_total 9017.920
_Distance_constraint_stats_list.Viol_max 1.405
_Distance_constraint_stats_list.Viol_rms 0.0918
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0519
_Distance_constraint_stats_list.Viol_average_violations_only 0.1420
_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 4 LEU 0.191 0.191 9 0 "[ . 1 . ]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 7 HIS 0.191 0.191 9 0 "[ . 1 . ]"
1 8 GLU 3.780 0.195 10 0 "[ . 1 . ]"
1 9 ARG 9.834 0.405 3 0 "[ . 1 . ]"
1 10 TYR 7.006 0.393 11 0 "[ . 1 . ]"
1 11 VAL 11.773 0.393 11 0 "[ . 1 . ]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 13 GLN 17.221 0.449 11 0 "[ . 1 . ]"
1 14 LEU 3.092 0.164 5 0 "[ . 1 . ]"
1 15 LYS 11.099 0.305 3 0 "[ . 1 . ]"
1 16 GLN 0.170 0.104 3 0 "[ . 1 . ]"
1 17 ALA 1.470 0.169 15 0 "[ . 1 . ]"
1 18 LEU 21.876 0.382 15 0 "[ . 1 . ]"
1 19 LYS 2.722 0.208 3 0 "[ . 1 . ]"
1 20 THR 6.161 0.245 19 0 "[ . 1 . ]"
1 21 ARG 4.105 0.308 19 0 "[ . 1 . ]"
1 22 GLY 4.636 0.260 11 0 "[ . 1 . ]"
1 23 VAL 3.750 0.167 13 0 "[ . 1 . ]"
1 24 LYS 4.527 0.167 13 0 "[ . 1 . ]"
1 25 VAL 13.746 0.420 10 0 "[ . 1 . ]"
1 26 LYS 11.169 0.352 13 0 "[ . 1 . ]"
1 28 ALA 8.985 0.278 13 0 "[ . 1 . ]"
1 29 ASP 11.394 0.305 3 0 "[ . 1 . ]"
1 30 LEU 3.170 0.211 11 0 "[ . 1 . ]"
1 31 LEU 8.139 0.307 13 0 "[ . 1 . ]"
1 32 LYS 5.889 0.349 15 0 "[ . 1 . ]"
1 33 PHE 4.062 0.307 13 0 "[ . 1 . ]"
1 34 PHE 11.195 0.349 15 0 "[ . 1 . ]"
1 35 ASP 3.801 0.246 13 0 "[ . 1 . ]"
1 36 PHE 2.060 0.125 17 0 "[ . 1 . ]"
1 37 VAL 11.449 0.407 3 0 "[ . 1 . ]"
1 38 LYS 4.893 0.242 1 0 "[ . 1 . ]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 40 THR 1.160 0.183 17 0 "[ . 1 . ]"
1 41 CYS 0.658 0.216 4 0 "[ . 1 . ]"
1 42 PRO 5.825 0.931 18 1 "[ . 1 . + ]"
1 43 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 44 PHE 0.526 0.242 18 0 "[ . 1 . ]"
1 45 PRO 7.171 0.931 18 1 "[ . 1 . + ]"
1 46 GLN 3.549 0.292 11 0 "[ . 1 . ]"
1 47 GLU 3.609 0.358 13 0 "[ . 1 . ]"
1 48 GLY 3.454 0.472 18 0 "[ . 1 . ]"
1 49 THR 10.003 0.472 18 0 "[ . 1 . ]"
1 50 ILE 33.487 0.418 10 0 "[ . 1 . ]"
1 51 ASP 11.610 0.418 10 0 "[ . 1 . ]"
1 52 ILE 23.966 0.406 4 0 "[ . 1 . ]"
1 53 LYS 5.358 0.211 4 0 "[ . 1 . ]"
1 54 ARG 2.427 0.203 12 0 "[ . 1 . ]"
1 55 TRP 2.581 0.203 12 0 "[ . 1 . ]"
1 56 ARG 3.774 0.297 13 0 "[ . 1 . ]"
1 57 ARG 1.808 0.191 5 0 "[ . 1 . ]"
1 58 VAL 11.663 0.259 2 0 "[ . 1 . ]"
1 59 GLY 0.598 0.137 15 0 "[ . 1 . ]"
1 60 ASP 0.311 0.159 10 0 "[ . 1 . ]"
1 61 CYS 0.019 0.019 5 0 "[ . 1 . ]"
1 62 PHE 2.956 0.210 5 0 "[ . 1 . ]"
1 63 GLN 5.592 0.275 11 0 "[ . 1 . ]"
1 64 ASP 3.799 0.275 11 0 "[ . 1 . ]"
1 65 TYR 0.036 0.036 1 0 "[ . 1 . ]"
1 66 TYR 6.149 0.381 12 0 "[ . 1 . ]"
1 67 ASN 6.811 0.892 4 1 "[ +. 1 . ]"
1 68 THR 16.759 0.404 11 0 "[ . 1 . ]"
1 69 PHE 12.192 0.404 11 0 "[ . 1 . ]"
1 70 GLY 6.873 0.440 16 0 "[ . 1 . ]"
1 71 PRO 8.270 0.892 4 1 "[ +. 1 . ]"
1 72 GLU 7.247 0.769 4 2 "[ +. 1 .- ]"
1 73 LYS 13.178 1.405 16 2 "[ *. 1 .+ ]"
1 74 VAL 23.013 1.405 16 2 "[ -. 1 .+ ]"
1 75 PRO 6.417 0.440 11 0 "[ . 1 . ]"
1 76 VAL 30.508 0.365 9 0 "[ . 1 . ]"
1 77 THR 1.618 0.127 16 0 "[ . 1 . ]"
1 78 ALA 4.215 0.251 4 0 "[ . 1 . ]"
1 79 PHE 3.572 0.339 19 0 "[ . 1 . ]"
1 80 SER 1.149 0.168 16 0 "[ . 1 . ]"
1 81 TYR 0.195 0.051 1 0 "[ . 1 . ]"
1 82 TRP 0.639 0.135 19 0 "[ . 1 . ]"
1 83 ASN 1.475 0.187 13 0 "[ . 1 . ]"
1 84 LEU 33.363 0.386 9 0 "[ . 1 . ]"
1 85 ILE 29.864 0.386 9 0 "[ . 1 . ]"
1 86 LYS 18.040 0.353 17 0 "[ . 1 . ]"
1 87 GLU 23.955 0.382 11 0 "[ . 1 . ]"
1 88 LEU 36.430 0.382 11 0 "[ . 1 . ]"
1 89 ILE 22.184 0.406 4 0 "[ . 1 . ]"
1 91 LYS 0.425 0.171 1 0 "[ . 1 . ]"
1 94 VAL 3.657 0.313 18 0 "[ . 1 . ]"
1 95 ASN 0.007 0.007 12 0 "[ . 1 . ]"
1 96 PRO 6.118 0.363 3 0 "[ . 1 . ]"
1 97 GLN 15.983 0.363 3 0 "[ . 1 . ]"
1 98 VAL 7.434 0.210 3 0 "[ . 1 . ]"
1 100 ALA 11.352 0.288 15 0 "[ . 1 . ]"
1 101 ALA 6.608 0.217 5 0 "[ . 1 . ]"
1 102 VAL 4.053 0.212 11 0 "[ . 1 . ]"
1 103 ALA 0.691 0.133 18 0 "[ . 1 . ]"
1 106 GLU 3.474 0.283 3 0 "[ . 1 . ]"
1 107 GLU 6.695 0.371 4 0 "[ . 1 . ]"
1 108 ILE 9.222 0.402 13 0 "[ . 1 . ]"
1 109 LEU 9.954 0.468 14 0 "[ . 1 . ]"
1 110 LYS 6.091 0.468 14 0 "[ . 1 . ]"
1 111 SER 2.553 0.215 13 0 "[ . 1 . ]"
1 112 ASN 3.820 0.239 15 0 "[ . 1 . ]"
1 113 SER 0.691 0.053 7 0 "[ . 1 . ]"
1 114 GLN 3.281 0.328 3 0 "[ . 1 . ]"
1 115 THR 2.125 0.194 15 0 "[ . 1 . ]"
1 116 ASP 0.530 0.104 6 0 "[ . 1 . ]"
1 117 LEU 2.891 0.243 3 0 "[ . 1 . ]"
1 118 GLU 2.776 0.243 3 0 "[ . 1 . ]"
1 122 HIS 0.342 0.028 17 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 68 THR HB 1 68 THR HG1 2.900 2.500 3.500 2.351 2.144 2.677 0.356 11 0 "[ . 1 . ]" 1
2 1 10 TYR HB3 1 11 VAL MG2 4.300 3.400 4.400 3.668 3.240 4.247 0.160 9 0 "[ . 1 . ]" 1
3 1 84 LEU HG 1 85 ILE MD 4.200 3.400 5.000 5.136 5.049 5.386 0.386 9 0 "[ . 1 . ]" 1
4 1 52 ILE HA 1 55 TRP HB2 3.400 2.700 4.100 3.892 3.415 4.179 0.079 19 0 "[ . 1 . ]" 1
5 1 73 LYS HA 1 73 LYS HG2 3.200 2.600 3.800 3.572 2.282 3.728 0.318 5 0 "[ . 1 . ]" 1
6 1 50 ILE HG13 1 52 ILE MD 4.300 3.400 5.200 5.298 5.202 5.454 0.254 11 0 "[ . 1 . ]" 1
7 1 52 ILE H 1 52 ILE MD 4.800 2.800 5.800 3.013 2.808 3.142 . 0 0 "[ . 1 . ]" 1
8 1 18 LEU HA 1 20 THR H 3.900 3.100 4.700 4.049 3.834 4.238 . 0 0 "[ . 1 . ]" 1
9 1 18 LEU H 1 18 LEU HA 3.500 2.800 4.200 2.891 2.834 2.917 . 0 0 "[ . 1 . ]" 1
10 1 108 ILE HA 1 109 LEU H 3.500 2.800 4.200 3.342 3.243 3.411 . 0 0 "[ . 1 . ]" 1
11 1 83 ASN HB2 1 84 LEU HB2 4.300 3.400 5.200 4.485 4.377 4.603 . 0 0 "[ . 1 . ]" 1
12 1 88 LEU HA 1 88 LEU HG 2.800 2.200 3.400 3.289 2.723 3.608 0.208 14 0 "[ . 1 . ]" 1
13 1 89 ILE HA 1 89 ILE MD 3.600 . 4.300 3.491 2.370 3.582 . 0 0 "[ . 1 . ]" 1
14 1 18 LEU MD2 1 84 LEU HB2 3.200 2.600 4.800 2.554 2.473 2.691 0.127 7 0 "[ . 1 . ]" 1
15 1 115 THR H 1 115 THR HB 3.600 2.900 4.300 3.344 2.706 3.920 0.194 15 0 "[ . 1 . ]" 1
16 1 42 PRO HA 1 42 PRO HD3 3.900 3.100 4.700 3.760 3.641 3.868 . 0 0 "[ . 1 . ]" 1
17 1 100 ALA MB 1 101 ALA H 3.700 3.000 4.400 2.889 2.783 3.004 0.217 5 0 "[ . 1 . ]" 1
18 1 68 THR HA 1 68 THR HB 3.200 2.600 3.800 2.462 2.387 2.528 0.213 19 0 "[ . 1 . ]" 1
19 1 11 VAL HA 1 30 LEU HG 3.900 3.100 5.700 5.478 4.598 5.699 . 0 0 "[ . 1 . ]" 1
20 1 96 PRO HA 1 96 PRO HB3 2.700 2.200 3.200 2.298 2.281 2.312 . 0 0 "[ . 1 . ]" 1
21 1 30 LEU HA 1 32 LYS H 4.600 3.700 5.500 4.481 4.368 4.664 . 0 0 "[ . 1 . ]" 1
22 1 96 PRO HA 1 97 GLN HA 3.800 3.000 4.600 4.917 4.854 4.963 0.363 3 0 "[ . 1 . ]" 1
23 1 37 VAL HA 1 41 CYS H 4.000 3.200 4.800 3.695 2.984 4.041 0.216 4 0 "[ . 1 . ]" 1
24 1 13 GLN HB3 1 13 GLN HG2 3.400 2.900 4.100 2.500 2.451 2.527 0.449 11 0 "[ . 1 . ]" 1
25 1 11 VAL MG2 1 34 PHE HA . 3.700 4.300 4.391 4.085 4.567 0.267 10 0 "[ . 1 . ]" 1
26 1 42 PRO HA 1 45 PRO HD2 3.200 2.600 5.100 5.260 5.129 6.031 0.931 18 1 "[ . 1 . + ]" 1
27 1 68 THR H 1 68 THR HG1 3.800 3.000 4.600 3.103 2.720 3.492 0.280 4 0 "[ . 1 . ]" 1
28 1 79 PHE H 1 79 PHE HB3 3.200 2.600 3.800 3.137 2.545 3.547 0.055 16 0 "[ . 1 . ]" 1
29 1 51 ASP HA 1 89 ILE MD 4.700 3.800 5.600 3.671 3.454 4.039 0.346 1 0 "[ . 1 . ]" 1
30 1 85 ILE HG13 1 85 ILE MG . 3.000 4.600 3.206 3.186 3.228 . 0 0 "[ . 1 . ]" 1
31 1 76 VAL HA 1 79 PHE H 3.300 2.600 4.000 3.391 3.213 3.729 . 0 0 "[ . 1 . ]" 1
32 1 8 GLU H 1 8 GLU HB2 3.100 2.500 3.700 2.468 2.387 2.522 0.113 3 0 "[ . 1 . ]" 1
33 1 74 VAL HA 1 76 VAL MG2 4.400 3.500 5.300 5.527 5.405 5.665 0.365 9 0 "[ . 1 . ]" 1
34 1 11 VAL MG1 1 34 PHE HA 4.600 3.700 5.500 5.259 4.859 5.784 0.284 9 0 "[ . 1 . ]" 1
35 1 84 LEU H 1 84 LEU HG 3.400 2.700 4.100 4.311 4.277 4.347 0.247 9 0 "[ . 1 . ]" 1
36 1 87 GLU H 1 88 LEU HA 3.300 2.600 5.000 4.940 4.911 4.975 . 0 0 "[ . 1 . ]" 1
37 1 8 GLU HA 1 11 VAL MG2 4.300 3.400 4.600 3.462 3.327 3.730 0.073 13 0 "[ . 1 . ]" 1
38 1 89 ILE HA 1 94 VAL HB 3.900 3.100 4.700 4.679 4.386 4.834 0.134 3 0 "[ . 1 . ]" 1
39 1 74 VAL MG2 1 75 PRO HD2 5.000 . 6.000 4.046 3.786 4.275 . 0 0 "[ . 1 . ]" 1
40 1 98 VAL HA 1 101 ALA MB 3.900 3.100 4.700 3.015 2.900 3.125 0.200 9 0 "[ . 1 . ]" 1
41 1 84 LEU HG 1 88 LEU HB2 . 3.100 3.500 2.997 2.881 3.099 0.219 6 0 "[ . 1 . ]" 1
42 1 100 ALA HA 1 103 ALA MB 3.300 2.600 4.000 4.002 3.735 4.133 0.133 18 0 "[ . 1 . ]" 1
43 1 71 PRO HB3 1 71 PRO HG3 2.600 2.100 3.100 2.280 2.224 2.308 . 0 0 "[ . 1 . ]" 1
44 1 37 VAL H 1 37 VAL HA 3.700 3.000 4.400 2.872 2.834 2.902 0.166 18 0 "[ . 1 . ]" 1
45 1 47 GLU HG2 1 49 THR HA 3.900 3.100 5.500 5.461 3.886 5.858 0.358 13 0 "[ . 1 . ]" 1
46 1 30 LEU HA 1 30 LEU MD1 3.900 3.100 4.400 3.255 3.080 3.544 0.020 9 0 "[ . 1 . ]" 1
47 1 51 ASP H 1 89 ILE MD 4.800 3.800 5.800 4.187 4.027 4.888 . 0 0 "[ . 1 . ]" 1
48 1 115 THR H 1 115 THR HA . 2.900 3.500 2.855 2.817 2.954 0.083 13 0 "[ . 1 . ]" 1
49 1 50 ILE MD 1 85 ILE MD 3.800 3.000 4.600 3.051 2.893 3.260 0.107 18 0 "[ . 1 . ]" 1
50 1 20 THR HA 1 22 GLY H 3.500 2.800 4.200 3.283 3.142 3.501 . 0 0 "[ . 1 . ]" 1
51 1 52 ILE HA 1 52 ILE HG13 3.400 2.700 4.000 3.754 3.721 3.772 . 0 0 "[ . 1 . ]" 1
52 1 85 ILE HA 1 88 LEU MD1 4.400 3.500 5.300 4.313 4.006 4.504 . 0 0 "[ . 1 . ]" 1
53 1 50 ILE HG13 1 89 ILE MG 3.600 2.900 5.300 4.914 4.735 5.329 0.029 18 0 "[ . 1 . ]" 1
54 1 8 GLU HA 1 9 ARG H 3.400 3.000 4.100 3.566 3.551 3.585 . 0 0 "[ . 1 . ]" 1
55 1 34 PHE HB3 1 35 ASP H 4.100 2.300 4.900 2.488 2.436 2.568 . 0 0 "[ . 1 . ]" 1
56 1 96 PRO HA 1 98 VAL H 3.900 3.100 4.300 3.388 3.130 3.747 . 0 0 "[ . 1 . ]" 1
57 1 25 VAL HB 1 26 LYS H 4.100 3.300 4.300 3.719 3.302 4.544 0.244 10 0 "[ . 1 . ]" 1
58 1 76 VAL HA 1 78 ALA H 4.100 3.300 4.900 3.313 3.192 3.435 0.108 15 0 "[ . 1 . ]" 1
59 1 109 LEU HB2 1 116 ASP HB2 3.900 3.100 4.700 4.650 4.433 4.804 0.104 6 0 "[ . 1 . ]" 1
60 1 50 ILE HB 1 85 ILE MD 4.100 3.300 4.900 5.062 4.915 5.264 0.364 9 0 "[ . 1 . ]" 1
61 1 52 ILE MD 1 82 TRP HA 4.300 3.400 5.200 4.512 4.306 4.608 . 0 0 "[ . 1 . ]" 1
62 1 15 LYS HA 1 18 LEU HG 3.400 2.700 5.100 4.959 4.213 5.227 0.127 4 0 "[ . 1 . ]" 1
63 1 89 ILE HA 1 89 ILE MG 3.600 . 4.300 2.533 2.455 2.645 . 0 0 "[ . 1 . ]" 1
64 1 71 PRO HD2 1 71 PRO HG3 2.800 2.200 3.400 2.854 2.736 3.011 . 0 0 "[ . 1 . ]" 1
65 1 50 ILE MG 1 52 ILE HA 4.400 3.500 5.300 4.070 3.959 4.168 . 0 0 "[ . 1 . ]" 1
66 1 52 ILE MD 1 89 ILE HB 5.000 . 6.000 3.410 2.931 3.624 . 0 0 "[ . 1 . ]" 1
67 1 25 VAL H 1 25 VAL HB 3.600 2.900 4.300 3.667 2.895 3.818 0.005 5 0 "[ . 1 . ]" 1
68 1 18 LEU HG 1 20 THR MG . 4.200 5.100 5.236 5.131 5.298 0.198 19 0 "[ . 1 . ]" 1
69 1 52 ILE H 1 89 ILE MG 4.400 3.500 5.300 5.394 4.687 5.543 0.243 3 0 "[ . 1 . ]" 1
70 1 96 PRO HA 1 96 PRO HG2 3.500 2.800 5.200 3.905 3.870 3.958 . 0 0 "[ . 1 . ]" 1
71 1 32 LYS HA 1 32 LYS HB2 2.900 2.300 3.500 2.522 2.471 3.028 . 0 0 "[ . 1 . ]" 1
72 1 98 VAL HA 1 98 VAL MG1 3.600 . 4.300 2.327 2.276 2.398 . 0 0 "[ . 1 . ]" 1
73 1 51 ASP HB3 1 52 ILE MD 4.400 3.500 5.300 5.017 4.809 5.221 . 0 0 "[ . 1 . ]" 1
74 1 10 TYR HA 1 11 VAL MG2 3.700 3.000 5.400 5.216 4.880 5.350 . 0 0 "[ . 1 . ]" 1
75 1 68 THR H 1 68 THR HA . 2.900 3.000 2.826 2.758 2.886 0.142 7 0 "[ . 1 . ]" 1
76 1 68 THR HB 1 69 PHE H 3.600 2.900 4.300 4.039 3.793 4.237 . 0 0 "[ . 1 . ]" 1
77 1 49 THR H 1 49 THR HB 3.800 3.000 4.600 3.012 2.558 3.228 0.442 18 0 "[ . 1 . ]" 1
78 1 96 PRO HA 1 97 GLN H 3.700 3.000 4.400 3.402 3.361 3.478 . 0 0 "[ . 1 . ]" 1
79 1 101 ALA H 1 101 ALA HA 3.400 2.700 4.100 2.812 2.762 2.843 . 0 0 "[ . 1 . ]" 1
80 1 88 LEU H 1 89 ILE HG12 4.700 3.800 5.600 5.657 5.368 5.738 0.138 2 0 "[ . 1 . ]" 1
81 1 28 ALA HA 1 31 LEU HG 3.400 2.700 4.100 2.593 2.542 2.674 0.158 6 0 "[ . 1 . ]" 1
82 1 58 VAL HA 1 58 VAL MG1 3.800 3.300 4.600 3.193 3.184 3.206 0.116 13 0 "[ . 1 . ]" 1
83 1 85 ILE HA 1 85 ILE MG 4.400 3.100 4.700 2.849 2.777 2.891 0.323 3 0 "[ . 1 . ]" 1
84 1 96 PRO HA 1 96 PRO HD3 3.800 3.000 4.600 3.454 3.336 3.749 . 0 0 "[ . 1 . ]" 1
85 1 13 GLN HA 1 13 GLN HB3 3.800 3.000 4.600 3.028 3.018 3.037 . 0 0 "[ . 1 . ]" 1
86 1 15 LYS HG3 1 25 VAL HB 4.200 3.400 5.000 5.100 4.958 5.272 0.272 3 0 "[ . 1 . ]" 1
87 1 76 VAL H 1 76 VAL MG2 3.400 2.700 4.100 2.436 2.355 2.519 0.345 13 0 "[ . 1 . ]" 1
88 1 17 ALA HA 1 18 LEU H 3.600 2.900 4.300 3.514 3.437 3.557 . 0 0 "[ . 1 . ]" 1
89 1 50 ILE HG13 1 89 ILE HG12 3.800 3.000 4.600 3.252 3.158 3.419 . 0 0 "[ . 1 . ]" 1
90 1 32 LYS HA 1 36 PHE HB2 3.200 2.600 4.800 4.665 4.015 4.925 0.125 17 0 "[ . 1 . ]" 1
91 1 76 VAL HA 1 76 VAL MG2 3.300 2.600 4.000 2.371 2.315 2.401 0.285 11 0 "[ . 1 . ]" 1
92 1 38 LYS HA 1 39 ASP H 4.200 3.400 5.000 3.504 3.470 3.570 . 0 0 "[ . 1 . ]" 1
93 1 50 ILE HB 1 50 ILE MD 3.900 3.000 4.600 2.710 2.618 2.781 0.382 13 0 "[ . 1 . ]" 1
94 1 14 LEU HA 1 14 LEU HG 3.800 . 4.600 3.625 3.572 3.662 . 0 0 "[ . 1 . ]" 1
95 1 85 ILE MG 1 86 LYS HA . 2.700 4.300 2.991 2.899 3.066 . 0 0 "[ . 1 . ]" 1
96 1 84 LEU HA 1 84 LEU HG 3.300 2.600 4.000 3.181 2.668 3.255 . 0 0 "[ . 1 . ]" 1
97 1 89 ILE MG 1 94 VAL HB 4.300 3.400 5.200 5.136 4.664 5.513 0.313 18 0 "[ . 1 . ]" 1
98 1 37 VAL MG1 1 37 VAL MG2 3.600 . 4.300 2.049 2.003 2.092 . 0 0 "[ . 1 . ]" 1
99 1 38 LYS HE3 1 38 LYS HG2 2.900 2.300 3.500 3.120 2.372 3.700 0.200 15 0 "[ . 1 . ]" 1
100 1 109 LEU HA 1 110 LYS H 3.400 2.700 4.100 3.359 2.232 3.554 0.468 14 0 "[ . 1 . ]" 1
101 1 108 ILE HB 1 108 ILE MG 4.900 . 5.900 2.141 2.109 2.157 . 0 0 "[ . 1 . ]" 1
102 1 108 ILE HG13 1 109 LEU HG 3.000 2.400 3.600 2.677 2.345 2.963 0.055 16 0 "[ . 1 . ]" 1
103 1 37 VAL HA 1 58 VAL MG1 4.600 3.700 5.500 4.750 4.281 5.500 0.000 4 0 "[ . 1 . ]" 1
104 1 50 ILE MD 1 51 ASP H 3.900 3.600 4.300 4.585 4.493 4.718 0.418 10 0 "[ . 1 . ]" 1
105 1 86 LYS H 1 86 LYS HA 3.700 3.000 4.400 2.843 2.830 2.852 0.170 10 0 "[ . 1 . ]" 1
106 1 98 VAL HB 1 101 ALA MB 3.600 2.900 5.300 5.246 5.122 5.371 0.071 14 0 "[ . 1 . ]" 1
107 1 84 LEU HB2 1 88 LEU HB2 3.000 2.400 5.600 5.617 5.514 5.693 0.093 15 0 "[ . 1 . ]" 1
108 1 67 ASN HA 1 71 PRO HG3 3.300 2.600 4.000 3.510 2.457 4.455 0.455 13 0 "[ . 1 . ]" 1
109 1 52 ILE MG 1 86 LYS HA 4.200 3.400 5.000 3.443 3.277 3.716 0.123 3 0 "[ . 1 . ]" 1
110 1 76 VAL H 1 76 VAL HB 3.200 2.600 3.800 2.502 2.431 2.539 0.169 3 0 "[ . 1 . ]" 1
111 1 73 LYS H 1 73 LYS HB3 3.500 2.800 3.800 2.830 2.573 3.510 0.227 1 0 "[ . 1 . ]" 1
112 1 13 GLN HB3 1 14 LEU MD1 5.100 4.100 6.100 5.776 5.635 5.958 . 0 0 "[ . 1 . ]" 1
113 1 10 TYR HA 1 13 GLN HB3 3.100 2.500 4.700 2.473 2.321 3.203 0.179 13 0 "[ . 1 . ]" 1
114 1 10 TYR HA 1 14 LEU HG 4.200 3.400 6.000 5.515 4.992 5.921 . 0 0 "[ . 1 . ]" 1
115 1 94 VAL HB 1 97 GLN HG2 2.600 2.100 4.100 4.067 3.635 4.274 0.174 5 0 "[ . 1 . ]" 1
116 1 15 LYS HB2 1 15 LYS HG3 2.600 2.100 3.100 2.487 2.467 2.525 . 0 0 "[ . 1 . ]" 1
117 1 11 VAL H 1 11 VAL HA 3.700 3.000 4.400 2.838 2.812 2.880 0.188 3 0 "[ . 1 . ]" 1
118 1 117 LEU HB2 1 117 LEU HG 3.100 2.500 3.200 2.697 2.471 3.041 0.029 16 0 "[ . 1 . ]" 1
119 1 89 ILE HA 1 89 ILE HG12 3.900 . 4.700 2.266 2.240 2.304 . 0 0 "[ . 1 . ]" 1
120 1 57 ARG HA 1 58 VAL HA 4.600 3.700 5.500 4.768 4.716 4.806 . 0 0 "[ . 1 . ]" 1
121 1 77 THR H 1 77 THR HB 4.300 3.400 4.400 3.589 3.556 3.604 . 0 0 "[ . 1 . ]" 1
122 1 107 GLU HB3 1 109 LEU HG 2.800 2.200 3.400 3.463 3.381 3.575 0.175 15 0 "[ . 1 . ]" 1
123 1 68 THR H 1 68 THR HB 3.400 2.700 4.100 3.617 3.587 3.641 . 0 0 "[ . 1 . ]" 1
124 1 58 VAL H 1 58 VAL HA 3.700 3.000 4.400 2.859 2.825 2.889 0.175 11 0 "[ . 1 . ]" 1
125 1 101 ALA HA 1 101 ALA MB 3.400 . 4.100 2.131 2.103 2.142 . 0 0 "[ . 1 . ]" 1
126 1 28 ALA HA 1 29 ASP H 3.800 3.000 4.600 3.442 3.429 3.468 . 0 0 "[ . 1 . ]" 1
127 1 29 ASP HA 1 30 LEU HG 4.100 3.300 5.900 5.875 5.675 6.083 0.183 9 0 "[ . 1 . ]" 1
128 1 50 ILE MD 1 89 ILE HB 3.400 2.700 5.100 5.043 4.835 5.223 0.123 12 0 "[ . 1 . ]" 1
129 1 46 GLN HA 1 47 GLU H 3.200 2.600 3.800 3.574 3.550 3.589 . 0 0 "[ . 1 . ]" 1
130 1 75 PRO HD2 1 77 THR MG 5.300 4.200 6.400 6.213 5.825 6.392 . 0 0 "[ . 1 . ]" 1
131 1 95 ASN H 1 96 PRO HD3 4.300 3.400 5.200 4.968 4.734 5.207 0.007 12 0 "[ . 1 . ]" 1
132 1 52 ILE HG13 1 52 ILE MG 3.100 2.500 3.700 2.383 2.311 2.414 0.189 13 0 "[ . 1 . ]" 1
133 1 76 VAL HB 1 76 VAL MG2 3.400 2.400 3.600 2.137 2.111 2.144 0.289 13 0 "[ . 1 . ]" 1
134 1 88 LEU HA 1 88 LEU MD1 3.400 . 4.100 2.210 2.104 2.309 . 0 0 "[ . 1 . ]" 1
135 1 8 GLU HA 1 11 VAL H 3.800 3.000 4.600 3.545 3.414 3.854 . 0 0 "[ . 1 . ]" 1
136 1 4 LEU HA 1 4 LEU HG 3.700 . 4.400 2.978 2.857 3.541 . 0 0 "[ . 1 . ]" 1
137 1 52 ILE MD 1 89 ILE HA 3.800 3.000 5.600 5.136 5.060 5.211 . 0 0 "[ . 1 . ]" 1
138 1 101 ALA HA 1 102 VAL MG2 3.600 2.900 5.300 4.973 4.892 5.083 . 0 0 "[ . 1 . ]" 1
139 1 107 GLU H 1 110 LYS HB3 3.100 2.500 3.700 3.763 3.707 3.798 0.098 15 0 "[ . 1 . ]" 1
140 1 50 ILE MD 1 88 LEU HB2 3.500 2.800 4.200 3.854 3.617 4.193 . 0 0 "[ . 1 . ]" 1
141 1 52 ILE H 1 52 ILE HG13 3.600 2.900 4.300 3.674 3.526 3.748 . 0 0 "[ . 1 . ]" 1
142 1 18 LEU HA 1 18 LEU MD2 3.300 2.600 4.000 2.423 2.286 2.495 0.314 3 0 "[ . 1 . ]" 1
143 1 85 ILE HG13 1 88 LEU HB2 3.800 3.000 4.600 4.149 3.912 4.319 . 0 0 "[ . 1 . ]" 1
144 1 88 LEU HB2 1 88 LEU HG 3.100 2.600 3.700 2.689 2.489 3.018 0.111 10 0 "[ . 1 . ]" 1
145 1 71 PRO HD2 1 74 VAL MG2 4.800 3.800 5.800 4.217 3.618 5.628 0.182 16 0 "[ . 1 . ]" 1
146 1 75 PRO HB3 1 75 PRO HD2 4.300 3.400 5.200 3.932 3.907 3.980 . 0 0 "[ . 1 . ]" 1
147 1 17 ALA MB 1 18 LEU HA 3.900 3.100 4.700 3.888 3.767 3.982 . 0 0 "[ . 1 . ]" 1
148 1 60 ASP HA 1 60 ASP HB2 3.100 2.500 3.700 2.833 2.341 3.023 0.159 10 0 "[ . 1 . ]" 1
149 1 11 VAL MG2 1 30 LEU HA 4.600 3.700 5.500 4.619 3.905 4.943 . 0 0 "[ . 1 . ]" 1
150 1 78 ALA H 1 78 ALA HA 3.500 2.800 4.200 2.818 2.773 2.845 0.027 16 0 "[ . 1 . ]" 1
151 1 20 THR HB 1 22 GLY H 3.600 2.900 5.300 5.209 5.040 5.355 0.055 3 0 "[ . 1 . ]" 1
152 1 89 ILE HG12 1 89 ILE MG 3.300 2.600 4.000 2.614 2.542 3.157 0.058 14 0 "[ . 1 . ]" 1
153 1 88 LEU H 1 88 LEU HA 3.400 2.700 4.100 2.803 2.791 2.819 . 0 0 "[ . 1 . ]" 1
154 1 37 VAL MG2 1 58 VAL MG2 4.500 3.600 5.400 5.495 5.380 5.659 0.259 2 0 "[ . 1 . ]" 1
155 1 30 LEU MD1 1 31 LEU HG 3.000 2.400 4.600 4.419 4.291 4.680 0.080 2 0 "[ . 1 . ]" 1
156 1 10 TYR HA 1 13 GLN HG2 4.300 3.400 5.200 4.390 4.222 5.165 . 0 0 "[ . 1 . ]" 1
157 1 15 LYS HB2 1 25 VAL MG1 4.200 3.400 5.000 3.620 3.445 4.126 . 0 0 "[ . 1 . ]" 1
158 1 77 THR HA 1 77 THR MG 3.100 2.500 3.700 2.415 2.373 2.459 0.127 16 0 "[ . 1 . ]" 1
159 1 97 GLN HA 1 98 VAL MG2 4.100 3.300 4.900 4.951 4.917 5.002 0.102 18 0 "[ . 1 . ]" 1
160 1 84 LEU HG 1 88 LEU HA 3.000 2.400 5.600 5.047 4.773 5.167 . 0 0 "[ . 1 . ]" 1
161 1 96 PRO HB3 1 96 PRO HD3 3.800 3.000 4.600 3.644 2.965 4.053 0.035 4 0 "[ . 1 . ]" 1
162 1 88 LEU HA 1 88 LEU HB2 3.600 2.900 4.000 2.651 2.605 2.682 0.295 9 0 "[ . 1 . ]" 1
163 1 110 LYS HG3 1 114 GLN HB2 3.200 2.600 4.800 4.935 4.734 5.128 0.328 3 0 "[ . 1 . ]" 1
164 1 89 ILE HB 1 89 ILE HG12 2.900 2.300 3.500 2.991 2.679 3.015 . 0 0 "[ . 1 . ]" 1
165 1 68 THR HA 1 68 THR HG1 3.000 2.500 3.600 3.690 3.448 3.939 0.339 13 0 "[ . 1 . ]" 1
166 1 84 LEU HA 1 87 GLU HB3 2.600 2.100 4.100 4.148 4.067 4.281 0.181 9 0 "[ . 1 . ]" 1
167 1 4 LEU HA 1 5 SER H 4.100 3.300 4.900 3.516 3.480 3.548 . 0 0 "[ . 1 . ]" 1
168 1 37 VAL MG1 1 38 LYS HA 4.900 3.900 5.900 5.428 5.356 5.472 . 0 0 "[ . 1 . ]" 1
169 1 31 LEU HB2 1 31 LEU HG 3.200 2.600 3.800 2.486 2.464 2.497 0.136 11 0 "[ . 1 . ]" 1
170 1 50 ILE HG13 1 89 ILE MD 3.600 2.900 4.300 3.837 2.897 4.010 0.003 18 0 "[ . 1 . ]" 1
171 1 52 ILE MG 1 85 ILE MD 5.200 4.200 6.200 5.368 5.119 5.674 . 0 0 "[ . 1 . ]" 1
172 1 52 ILE HB 1 52 ILE MD 3.600 3.000 4.300 3.216 3.192 3.236 . 0 0 "[ . 1 . ]" 1
173 1 37 VAL MG1 1 58 VAL HB 4.500 3.600 5.400 5.467 5.117 5.580 0.180 16 0 "[ . 1 . ]" 1
174 1 74 VAL H 1 75 PRO HD2 5.000 4.000 6.000 4.358 3.994 4.758 0.006 11 0 "[ . 1 . ]" 1
175 1 74 VAL HB 1 76 VAL HA 3.300 2.600 6.000 5.799 5.251 6.218 0.218 16 0 "[ . 1 . ]" 1
176 1 52 ILE HA 1 52 ILE MD 3.500 . 4.200 2.086 2.055 2.103 . 0 0 "[ . 1 . ]" 1
177 1 49 THR MG 1 50 ILE HA 3.100 2.500 3.700 3.846 3.731 4.017 0.317 17 0 "[ . 1 . ]" 1
178 1 85 ILE MG 1 88 LEU H 4.400 3.500 5.300 4.507 4.450 4.583 . 0 0 "[ . 1 . ]" 1
179 1 84 LEU HG 1 88 LEU H 3.300 2.900 4.000 4.304 4.161 4.357 0.357 13 0 "[ . 1 . ]" 1
180 1 85 ILE MD 1 86 LYS H 4.300 3.400 5.200 4.976 4.931 5.023 . 0 0 "[ . 1 . ]" 1
181 1 17 ALA MB 1 18 LEU H 3.300 2.600 4.000 2.677 2.494 2.946 0.106 7 0 "[ . 1 . ]" 1
182 1 31 LEU HA 1 31 LEU HB2 3.500 2.800 4.200 3.021 3.016 3.025 . 0 0 "[ . 1 . ]" 1
183 1 64 ASP HA 1 64 ASP HB3 2.900 2.300 3.500 3.016 3.010 3.026 . 0 0 "[ . 1 . ]" 1
184 1 117 LEU HA 1 118 GLU H 3.000 2.400 3.600 2.626 2.157 3.555 0.243 3 0 "[ . 1 . ]" 1
185 1 115 THR HA 1 116 ASP H 3.100 2.500 3.700 3.269 2.413 3.565 0.087 6 0 "[ . 1 . ]" 1
186 1 63 GLN H 1 63 GLN HB3 3.000 2.400 3.600 2.540 2.455 2.601 . 0 0 "[ . 1 . ]" 1
187 1 86 LYS HB3 1 87 GLU HB3 3.300 2.600 6.000 3.982 3.884 4.105 . 0 0 "[ . 1 . ]" 1
188 1 109 LEU H 1 109 LEU HG 3.500 2.800 4.200 2.619 2.534 2.667 0.266 19 0 "[ . 1 . ]" 1
189 1 14 LEU HG 1 85 ILE HG13 3.300 2.600 5.000 3.819 3.338 4.369 . 0 0 "[ . 1 . ]" 1
190 1 83 ASN HA 1 83 ASN HB2 3.300 2.600 4.000 3.013 3.001 3.022 . 0 0 "[ . 1 . ]" 1
191 1 25 VAL HA 1 25 VAL HB 3.500 2.800 3.500 2.604 2.380 3.003 0.420 10 0 "[ . 1 . ]" 1
192 1 58 VAL MG2 1 59 GLY HA3 5.300 4.200 6.400 4.405 4.272 4.577 . 0 0 "[ . 1 . ]" 1
193 1 76 VAL H 1 76 VAL HA 3.400 2.700 4.100 2.911 2.896 2.921 . 0 0 "[ . 1 . ]" 1
194 1 15 LYS HA 1 15 LYS HG3 3.300 2.600 4.000 2.818 2.744 2.995 . 0 0 "[ . 1 . ]" 1
195 1 85 ILE MD 1 88 LEU HB2 4.300 3.400 5.200 5.344 5.257 5.409 0.209 3 0 "[ . 1 . ]" 1
196 1 84 LEU HB2 1 85 ILE HA 3.900 3.100 5.700 5.588 5.560 5.619 . 0 0 "[ . 1 . ]" 1
197 1 101 ALA MB 1 102 VAL MG2 4.300 3.400 5.200 3.531 3.395 3.633 0.005 18 0 "[ . 1 . ]" 1
198 1 63 GLN HA 1 64 ASP HB3 3.300 2.900 5.500 5.700 5.646 5.775 0.275 11 0 "[ . 1 . ]" 1
199 1 89 ILE MD 1 89 ILE HG12 3.700 . 4.400 2.139 2.132 2.155 . 0 0 "[ . 1 . ]" 1
200 1 107 GLU HG3 1 109 LEU H 3.900 3.100 4.700 4.926 4.753 5.071 0.371 4 0 "[ . 1 . ]" 1
201 1 76 VAL HB 1 78 ALA MB 3.800 3.200 5.600 5.785 5.720 5.851 0.251 4 0 "[ . 1 . ]" 1
202 1 98 VAL HA 1 98 VAL HB 3.600 3.000 4.300 3.021 3.016 3.027 . 0 0 "[ . 1 . ]" 1
203 1 16 GLN H 1 17 ALA HA 4.000 3.200 5.800 5.145 5.057 5.248 . 0 0 "[ . 1 . ]" 1
204 1 71 PRO HD2 1 74 VAL H 4.000 3.200 5.800 5.881 5.537 6.214 0.414 14 0 "[ . 1 . ]" 1
205 1 37 VAL MG1 1 58 VAL MG1 5.100 3.100 6.100 3.835 3.532 4.150 . 0 0 "[ . 1 . ]" 1
206 1 15 LYS HD3 1 29 ASP HA 3.200 2.600 5.200 5.357 4.707 5.505 0.305 3 0 "[ . 1 . ]" 1
207 1 11 VAL H 1 11 VAL MG2 3.700 . 4.400 2.589 2.288 2.727 . 0 0 "[ . 1 . ]" 1
208 1 42 PRO HA 1 42 PRO HG2 3.200 2.600 3.800 3.917 3.865 4.010 0.210 5 0 "[ . 1 . ]" 1
209 1 110 LYS H 1 111 SER HA 3.300 2.600 5.000 5.089 4.954 5.215 0.215 13 0 "[ . 1 . ]" 1
210 1 20 THR HA 1 20 THR MG 3.700 3.000 4.400 3.127 3.062 3.195 . 0 0 "[ . 1 . ]" 1
211 1 30 LEU HA 1 31 LEU HG 3.900 3.100 5.900 5.211 5.177 5.249 . 0 0 "[ . 1 . ]" 1
212 1 66 TYR HB2 1 74 VAL MG2 . 4.200 6.200 6.356 5.833 6.581 0.381 12 0 "[ . 1 . ]" 1
213 1 88 LEU H 1 88 LEU HB2 3.800 . 4.600 2.199 2.143 2.284 . 0 0 "[ . 1 . ]" 1
214 1 45 PRO HA 1 45 PRO HG3 3.200 . 3.800 3.641 3.047 3.982 0.182 13 0 "[ . 1 . ]" 1
215 1 44 PHE H 1 45 PRO HD2 3.800 . 4.600 2.819 2.412 3.517 . 0 0 "[ . 1 . ]" 1
216 1 58 VAL HA 1 59 GLY H 4.000 3.200 4.800 3.539 3.504 3.563 . 0 0 "[ . 1 . ]" 1
217 1 86 LYS HA 1 86 LYS HG2 3.600 2.900 4.300 3.455 3.416 3.515 . 0 0 "[ . 1 . ]" 1
218 1 87 GLU HB3 1 88 LEU HA 2.700 2.200 5.200 5.525 5.495 5.582 0.382 11 0 "[ . 1 . ]" 1
219 1 85 ILE H 1 85 ILE HG13 3.800 3.000 4.600 3.134 3.004 3.261 . 0 0 "[ . 1 . ]" 1
220 1 14 LEU MD1 1 85 ILE HG13 4.000 3.200 4.800 3.363 3.088 3.686 0.112 19 0 "[ . 1 . ]" 1
221 1 67 ASN HA 1 69 PHE H 3.100 2.500 3.700 3.830 3.400 4.024 0.324 6 0 "[ . 1 . ]" 1
222 1 67 ASN HA 1 71 PRO HD2 3.000 2.400 3.600 2.952 2.330 4.492 0.892 4 1 "[ +. 1 . ]" 1
223 1 52 ILE H 1 52 ILE HB 3.200 2.600 3.800 2.596 2.552 2.630 0.048 18 0 "[ . 1 . ]" 1
224 1 18 LEU HG 1 84 LEU HG 2.700 . 4.200 4.487 4.395 4.582 0.382 15 0 "[ . 1 . ]" 1
225 1 72 GLU HA 1 73 LYS HB3 3.900 3.100 5.700 5.537 4.835 6.469 0.769 4 2 "[ +. 1 .- ]" 1
226 1 85 ILE MD 1 88 LEU MD1 4.000 3.200 5.800 5.861 5.718 5.990 0.190 3 0 "[ . 1 . ]" 1
227 1 32 LYS H 1 34 PHE HB3 4.300 3.400 5.200 5.466 5.371 5.549 0.349 15 0 "[ . 1 . ]" 1
228 1 52 ILE HB 1 52 ILE HG13 3.200 2.600 3.800 2.524 2.502 2.554 0.098 13 0 "[ . 1 . ]" 1
229 1 76 VAL HA 1 76 VAL HB 3.100 2.500 3.600 3.027 3.023 3.030 . 0 0 "[ . 1 . ]" 1
230 1 38 LYS H 1 38 LYS HA 3.700 3.000 4.400 2.819 2.800 2.843 0.200 6 0 "[ . 1 . ]" 1
231 1 78 ALA HA 1 81 TYR HB2 3.700 3.000 4.400 3.034 2.949 3.174 0.051 1 0 "[ . 1 . ]" 1
232 1 10 TYR HB3 1 13 GLN HB3 4.000 3.200 5.800 5.366 5.260 5.868 0.068 9 0 "[ . 1 . ]" 1
233 1 75 PRO HD2 1 78 ALA MB 4.100 3.300 5.900 5.297 4.891 5.604 . 0 0 "[ . 1 . ]" 1
234 1 64 ASP HA 1 65 TYR HB2 3.400 2.700 6.100 5.800 5.728 5.848 . 0 0 "[ . 1 . ]" 1
235 1 18 LEU HB3 1 19 LYS H . 3.000 3.500 3.514 3.360 3.657 0.157 8 0 "[ . 1 . ]" 1
236 1 42 PRO HD3 1 42 PRO HG2 2.900 2.300 3.500 2.876 2.655 2.992 . 0 0 "[ . 1 . ]" 1
237 1 85 ILE MG 1 89 ILE MD 4.400 3.500 5.300 3.528 3.402 4.731 0.098 13 0 "[ . 1 . ]" 1
238 1 51 ASP HA 1 52 ILE HG13 3.600 2.900 5.300 5.336 5.299 5.392 0.092 5 0 "[ . 1 . ]" 1
239 1 73 LYS QD 1 74 VAL HB 3.000 2.400 4.600 4.864 4.621 6.005 1.405 16 2 "[ -. 1 .+ ]" 1
240 1 84 LEU HG 1 88 LEU HG 2.700 2.200 5.200 4.529 3.958 5.484 0.284 9 0 "[ . 1 . ]" 1
241 1 70 GLY H 1 71 PRO HD2 4.300 2.400 5.200 3.189 2.236 4.187 0.164 17 0 "[ . 1 . ]" 1
242 1 86 LYS HG2 1 87 GLU HB3 2.700 2.200 3.200 3.403 3.332 3.487 0.287 18 0 "[ . 1 . ]" 1
243 1 44 PHE HA 1 49 THR MG 4.300 3.400 5.200 4.884 4.094 5.289 0.089 9 0 "[ . 1 . ]" 1
244 1 75 PRO HD2 1 76 VAL MG2 4.000 3.200 5.800 5.884 5.776 5.971 0.171 9 0 "[ . 1 . ]" 1
245 1 63 GLN HB2 1 66 TYR HB2 4.500 3.600 5.400 5.418 5.281 5.537 0.137 15 0 "[ . 1 . ]" 1
246 1 114 GLN HB2 1 118 GLU HA 3.300 2.600 4.000 3.975 3.348 4.096 0.096 6 0 "[ . 1 . ]" 1
247 1 84 LEU HG 1 87 GLU HG3 3.500 2.800 4.200 4.260 3.783 4.340 0.140 12 0 "[ . 1 . ]" 1
248 1 82 TRP HA 1 85 ILE HB 3.600 2.900 4.300 2.887 2.765 2.987 0.135 19 0 "[ . 1 . ]" 1
249 1 107 GLU HB3 1 108 ILE H 3.000 2.400 4.600 3.296 3.019 3.514 . 0 0 "[ . 1 . ]" 1
250 1 14 LEU HA 1 14 LEU MD1 3.700 . 4.400 2.372 2.265 3.097 . 0 0 "[ . 1 . ]" 1
251 1 98 VAL H 1 98 VAL HA 3.600 2.900 4.300 2.823 2.813 2.832 0.087 9 0 "[ . 1 . ]" 1
252 1 91 LYS HB3 1 94 VAL MG1 3.600 2.900 5.300 4.356 2.801 5.471 0.171 1 0 "[ . 1 . ]" 1
253 1 85 ILE MG 1 89 ILE HB 4.400 3.500 5.300 4.662 4.265 4.798 . 0 0 "[ . 1 . ]" 1
254 1 42 PRO HB3 1 44 PHE H 4.400 3.500 5.300 5.201 4.932 5.542 0.242 18 0 "[ . 1 . ]" 1
255 1 87 GLU HA 1 87 GLU HB3 2.600 2.100 3.100 2.603 2.589 2.630 . 0 0 "[ . 1 . ]" 1
256 1 31 LEU HB2 1 33 PHE H 3.900 3.100 4.700 4.902 4.799 5.007 0.307 13 0 "[ . 1 . ]" 1
257 1 98 VAL HB 1 100 ALA MB 3.900 3.100 5.700 5.817 5.729 5.910 0.210 3 0 "[ . 1 . ]" 1
258 1 71 PRO HB3 1 71 PRO HD2 3.500 2.800 5.200 3.928 3.876 4.071 . 0 0 "[ . 1 . ]" 1
259 1 24 LYS HA 1 25 VAL H 2.900 2.300 3.500 2.199 2.148 2.263 0.152 13 0 "[ . 1 . ]" 1
260 1 85 ILE HA 1 88 LEU HB2 4.200 . 5.000 2.217 2.179 2.260 . 0 0 "[ . 1 . ]" 1
261 1 72 GLU H 1 73 LYS HB3 4.100 3.300 4.900 5.004 4.490 5.648 0.748 4 2 "[ +. 1 .- ]" 1
262 1 37 VAL HB 1 37 VAL MG2 4.200 . 4.400 2.129 2.100 2.153 . 0 0 "[ . 1 . ]" 1
263 1 117 LEU HA 1 117 LEU HB2 2.700 2.200 3.200 2.835 2.459 3.030 . 0 0 "[ . 1 . ]" 1
264 1 37 VAL H 1 37 VAL MG2 3.800 . 4.600 1.820 1.740 1.914 . 0 0 "[ . 1 . ]" 1
265 1 76 VAL HA 1 79 PHE HB3 4.300 3.400 5.200 5.126 4.294 5.539 0.339 19 0 "[ . 1 . ]" 1
266 1 84 LEU HA 1 85 ILE HB 2.500 . 5.500 5.581 5.569 5.600 0.100 13 0 "[ . 1 . ]" 1
267 1 77 THR HB 1 78 ALA H 4.500 3.600 5.400 4.017 3.937 4.089 . 0 0 "[ . 1 . ]" 1
268 1 67 ASN HA 1 67 ASN HB3 3.100 2.500 3.700 2.601 2.440 3.032 0.060 14 0 "[ . 1 . ]" 1
269 1 50 ILE MD 1 89 ILE MD 3.700 3.000 4.400 3.672 3.522 3.788 . 0 0 "[ . 1 . ]" 1
270 1 57 ARG HB3 1 58 VAL MG2 4.700 3.800 5.600 5.621 5.272 5.791 0.191 5 0 "[ . 1 . ]" 1
271 1 72 GLU HB3 1 73 LYS H 2.900 2.300 3.500 3.242 2.364 3.593 0.093 2 0 "[ . 1 . ]" 1
272 1 100 ALA HA 1 102 VAL HB 3.300 2.600 4.000 4.038 3.800 4.144 0.144 16 0 "[ . 1 . ]" 1
273 1 26 LYS HD2 1 28 ALA HA 3.700 3.000 4.400 4.601 4.481 4.678 0.278 13 0 "[ . 1 . ]" 1
274 1 30 LEU HA 1 30 LEU HG 3.500 . 4.200 2.262 2.171 2.298 . 0 0 "[ . 1 . ]" 1
275 1 17 ALA HA 1 18 LEU MD2 5.200 4.200 6.200 6.255 6.076 6.369 0.169 15 0 "[ . 1 . ]" 1
276 1 50 ILE MD 1 85 ILE MG 4.200 3.400 5.000 3.269 3.162 3.358 0.238 18 0 "[ . 1 . ]" 1
277 1 11 VAL MG2 1 30 LEU MD1 4.600 3.700 5.500 4.917 3.990 5.278 . 0 0 "[ . 1 . ]" 1
278 1 33 PHE H 1 34 PHE HA 3.400 2.700 6.100 5.358 5.190 5.444 . 0 0 "[ . 1 . ]" 1
279 1 50 ILE MD 1 85 ILE HG13 4.600 2.700 5.500 3.360 3.154 3.538 . 0 0 "[ . 1 . ]" 1
280 1 78 ALA HA 1 79 PHE H 3.600 2.900 4.300 3.526 3.459 3.546 . 0 0 "[ . 1 . ]" 1
281 1 97 GLN HA 1 101 ALA MB 4.100 3.300 4.900 4.343 3.751 4.846 . 0 0 "[ . 1 . ]" 1
282 1 52 ILE HA 1 52 ILE HB 3.400 2.700 3.800 3.021 3.013 3.025 . 0 0 "[ . 1 . ]" 1
283 1 10 TYR HB3 1 11 VAL H 3.900 3.100 4.700 2.835 2.707 3.043 0.393 11 0 "[ . 1 . ]" 1
284 1 4 LEU HG 1 7 HIS HB2 3.700 3.000 5.400 4.457 4.095 5.591 0.191 9 0 "[ . 1 . ]" 1
285 1 50 ILE HA 1 50 ILE MD 3.900 2.100 4.700 3.474 3.402 3.539 . 0 0 "[ . 1 . ]" 1
286 1 86 LYS HG2 1 87 GLU HA 2.900 2.300 3.500 3.216 3.186 3.262 . 0 0 "[ . 1 . ]" 1
287 1 31 LEU HA 1 33 PHE H 3.700 3.000 5.400 5.109 4.702 5.364 . 0 0 "[ . 1 . ]" 1
288 1 97 GLN HA 1 97 GLN HG2 2.800 2.200 3.400 3.592 3.511 3.646 0.246 13 0 "[ . 1 . ]" 1
289 1 85 ILE HB 1 86 LYS HA 4.000 3.200 4.800 4.998 4.951 5.050 0.250 18 0 "[ . 1 . ]" 1
290 1 84 LEU HA 1 84 LEU HB2 2.800 2.200 3.400 2.389 2.371 2.415 . 0 0 "[ . 1 . ]" 1
291 1 9 ARG HB2 1 13 GLN HB3 2.700 2.200 4.200 4.355 4.254 4.436 0.236 3 0 "[ . 1 . ]" 1
292 1 52 ILE MD 1 89 ILE MG 5.200 3.200 6.200 3.891 3.777 3.965 . 0 0 "[ . 1 . ]" 1
293 1 14 LEU HB3 1 14 LEU HG 2.900 2.600 3.500 2.449 2.436 2.577 0.164 5 0 "[ . 1 . ]" 1
294 1 8 GLU HA 1 11 VAL HB 2.700 2.700 3.200 3.241 3.121 3.312 0.112 4 0 "[ . 1 . ]" 1
295 1 85 ILE HA 1 88 LEU H 4.000 3.200 4.800 3.232 3.157 3.320 0.043 4 0 "[ . 1 . ]" 1
296 1 14 LEU HB3 1 14 LEU MD1 . . 4.300 2.355 2.096 2.399 . 0 0 "[ . 1 . ]" 1
297 1 9 ARG HB2 1 13 GLN HG2 3.900 3.100 4.700 4.957 4.720 5.105 0.405 3 0 "[ . 1 . ]" 1
298 1 88 LEU HB2 1 89 ILE HA 4.300 3.400 5.200 5.437 5.389 5.482 0.282 9 0 "[ . 1 . ]" 1
299 1 75 PRO HD2 1 75 PRO HG3 3.700 3.000 4.400 2.987 2.957 2.998 0.043 13 0 "[ . 1 . ]" 1
300 1 15 LYS HB2 1 16 GLN H 3.500 2.800 4.200 2.853 2.696 2.925 0.104 3 0 "[ . 1 . ]" 1
301 1 97 GLN H 1 97 GLN HA 3.300 2.900 4.000 2.748 2.723 2.791 0.177 14 0 "[ . 1 . ]" 1
302 1 111 SER HA 1 112 ASN HB2 4.800 3.800 5.800 5.669 4.770 5.910 0.110 13 0 "[ . 1 . ]" 1
303 1 14 LEU HB3 1 17 ALA MB 3.700 3.000 5.400 4.752 4.611 5.018 . 0 0 "[ . 1 . ]" 1
304 1 96 PRO HA 1 100 ALA MB 4.700 3.800 5.600 4.867 4.244 5.487 . 0 0 "[ . 1 . ]" 1
305 1 40 THR HA 1 58 VAL MG2 5.100 4.100 6.100 6.138 5.777 6.283 0.183 17 0 "[ . 1 . ]" 1
306 1 15 LYS HA 1 15 LYS HD2 3.200 2.600 4.800 4.568 4.524 4.621 . 0 0 "[ . 1 . ]" 1
307 1 98 VAL H 1 98 VAL HB 3.300 . 4.000 2.443 2.355 2.553 . 0 0 "[ . 1 . ]" 1
308 1 79 PHE HB3 1 80 SER H 3.500 2.800 4.200 3.108 2.632 3.563 0.168 16 0 "[ . 1 . ]" 1
309 1 52 ILE HG13 1 89 ILE HB 2.900 2.300 3.500 3.756 3.598 3.906 0.406 4 0 "[ . 1 . ]" 1
310 1 73 LYS HA 1 73 LYS HB3 3.500 2.400 3.600 2.526 2.288 3.029 0.112 16 0 "[ . 1 . ]" 1
311 1 116 ASP H 1 116 ASP HA 3.300 2.600 4.000 2.825 2.672 2.904 . 0 0 "[ . 1 . ]" 1
312 1 116 ASP HA 1 117 LEU H 3.000 2.400 3.600 3.487 2.480 3.579 . 0 0 "[ . 1 . ]" 1
313 1 37 VAL H 1 37 VAL MG1 4.500 2.600 5.400 2.433 2.193 2.672 0.407 3 0 "[ . 1 . ]" 1
314 1 34 PHE HA 1 34 PHE HB3 3.400 2.700 3.700 3.008 2.991 3.017 . 0 0 "[ . 1 . ]" 1
315 1 20 THR HA 1 21 ARG H 4.000 3.200 4.800 3.492 3.419 3.535 . 0 0 "[ . 1 . ]" 1
316 1 50 ILE HG13 1 89 ILE HA 3.900 3.100 4.700 4.586 4.468 4.674 . 0 0 "[ . 1 . ]" 1
317 1 20 THR HB 1 21 ARG H 4.100 3.300 4.900 4.157 3.723 4.429 . 0 0 "[ . 1 . ]" 1
318 1 45 PRO HB2 1 45 PRO HD2 3.700 3.000 4.400 3.757 3.017 4.076 . 0 0 "[ . 1 . ]" 1
319 1 74 VAL MG2 1 76 VAL MG2 3.800 3.000 5.600 5.337 5.152 5.518 . 0 0 "[ . 1 . ]" 1
320 1 18 LEU MD2 1 84 LEU MD2 3.300 2.600 5.000 2.787 2.485 2.997 0.115 15 0 "[ . 1 . ]" 1
321 1 14 LEU MD1 1 85 ILE HA 4.300 3.400 5.200 4.697 4.391 5.264 0.064 3 0 "[ . 1 . ]" 1
322 1 86 LYS H 1 87 GLU HA 3.300 2.600 5.200 5.273 5.238 5.302 0.102 13 0 "[ . 1 . ]" 1
323 1 38 LYS HA 1 38 LYS HG2 3.300 2.600 4.000 2.920 2.420 3.090 0.180 8 0 "[ . 1 . ]" 1
324 1 50 ILE MG 1 52 ILE HB 4.400 3.500 5.300 5.496 5.427 5.638 0.338 18 0 "[ . 1 . ]" 1
325 1 85 ILE HA 1 85 ILE MD 3.700 3.200 4.400 3.661 3.640 3.688 . 0 0 "[ . 1 . ]" 1
326 1 37 VAL H 1 37 VAL HB 3.800 3.000 4.600 3.602 3.537 3.643 . 0 0 "[ . 1 . ]" 1
327 1 58 VAL MG2 1 59 GLY H 4.000 3.200 4.300 3.415 3.266 3.606 . 0 0 "[ . 1 . ]" 1
328 1 97 GLN H 1 98 VAL HB 3.600 2.900 5.300 5.015 4.833 5.123 . 0 0 "[ . 1 . ]" 1
329 1 26 LYS H 1 26 LYS HB2 3.600 2.900 4.300 3.187 2.673 3.655 0.227 11 0 "[ . 1 . ]" 1
330 1 86 LYS HA 1 87 GLU H 4.300 3.400 5.200 3.551 3.534 3.568 . 0 0 "[ . 1 . ]" 1
331 1 84 LEU HA 1 88 LEU HB2 3.300 2.600 5.000 4.494 4.408 4.560 . 0 0 "[ . 1 . ]" 1
332 1 74 VAL HB 1 76 VAL MG2 4.200 3.400 4.300 4.391 4.294 4.534 0.234 9 0 "[ . 1 . ]" 1
333 1 45 PRO HD2 1 45 PRO HG3 3.500 2.800 4.200 2.795 2.676 2.995 0.124 4 0 "[ . 1 . ]" 1
334 1 37 VAL MG1 1 38 LYS H 4.300 3.400 5.200 3.998 3.903 4.139 . 0 0 "[ . 1 . ]" 1
335 1 96 PRO HD3 1 96 PRO HG2 3.100 2.500 5.700 2.859 2.714 3.020 . 0 0 "[ . 1 . ]" 1
336 1 28 ALA MB 1 30 LEU H 5.200 4.200 6.200 4.798 4.715 4.936 . 0 0 "[ . 1 . ]" 1
337 1 15 LYS HA 1 19 LYS H 3.600 2.900 4.300 4.393 4.340 4.508 0.208 3 0 "[ . 1 . ]" 1
338 1 21 ARG HG3 1 84 LEU HA 3.000 2.400 5.600 5.809 5.713 5.908 0.308 19 0 "[ . 1 . ]" 1
339 1 36 PHE HB3 1 37 VAL MG1 4.000 3.200 4.800 3.317 3.090 3.656 0.110 2 0 "[ . 1 . ]" 1
340 1 53 LYS H 1 53 LYS HB2 3.300 2.600 4.000 2.469 2.406 2.578 0.194 13 0 "[ . 1 . ]" 1
341 1 52 ILE MD 1 89 ILE MD 5.400 2.300 6.500 2.236 2.081 3.863 0.219 4 0 "[ . 1 . ]" 1
342 1 89 ILE MD 1 94 VAL MG1 4.700 3.800 5.600 4.593 3.639 5.193 0.161 18 0 "[ . 1 . ]" 1
343 1 58 VAL MG2 1 59 GLY HA2 4.400 3.500 5.300 3.494 3.363 3.635 0.137 15 0 "[ . 1 . ]" 1
344 1 26 LYS HE2 1 26 LYS HG2 3.100 2.500 3.700 3.012 2.434 3.656 0.066 18 0 "[ . 1 . ]" 1
345 1 117 LEU HA 1 117 LEU HG 3.000 2.400 3.600 2.978 2.356 3.561 0.044 13 0 "[ . 1 . ]" 1
346 1 37 VAL HA 1 38 LYS H 3.800 3.000 4.600 3.522 3.468 3.542 . 0 0 "[ . 1 . ]" 1
347 1 15 LYS HA 1 18 LEU H 4.000 3.200 4.800 3.609 3.329 3.785 . 0 0 "[ . 1 . ]" 1
348 1 62 PHE HA 1 66 TYR HB2 3.700 3.000 4.400 4.479 4.243 4.610 0.210 5 0 "[ . 1 . ]" 1
349 1 106 GLU HB2 1 108 ILE HA 3.400 2.700 5.100 5.283 5.184 5.383 0.283 3 0 "[ . 1 . ]" 1
350 1 13 GLN HA 1 13 GLN HG2 4.200 3.400 5.000 3.718 3.664 3.738 . 0 0 "[ . 1 . ]" 1
351 1 87 GLU HG3 1 88 LEU H 3.100 2.500 3.700 2.365 2.275 2.406 0.225 3 0 "[ . 1 . ]" 1
352 1 74 VAL H 1 74 VAL MG2 3.700 . 4.400 2.466 2.128 2.757 . 0 0 "[ . 1 . ]" 1
353 1 37 VAL HA 1 37 VAL MG2 3.800 3.000 4.600 3.176 3.130 3.194 . 0 0 "[ . 1 . ]" 1
354 1 101 ALA MB 1 102 VAL H 4.000 3.200 4.800 3.054 2.988 3.099 0.212 11 0 "[ . 1 . ]" 1
355 1 25 VAL HA 1 25 VAL MG1 3.500 . 4.200 2.244 2.162 2.514 . 0 0 "[ . 1 . ]" 1
356 1 86 LYS HA 1 88 LEU HB2 3.400 2.700 6.100 5.634 5.530 5.738 . 0 0 "[ . 1 . ]" 1
357 1 52 ILE HB 1 53 LYS H 3.800 . 4.600 2.324 2.176 2.988 . 0 0 "[ . 1 . ]" 1
358 1 25 VAL HA 1 26 LYS H 2.800 2.500 3.400 2.248 2.148 2.999 0.352 13 0 "[ . 1 . ]" 1
359 1 58 VAL H 1 58 VAL MG2 3.900 3.100 4.700 3.749 3.723 3.771 . 0 0 "[ . 1 . ]" 1
360 1 73 LYS HB3 1 73 LYS QD 2.900 2.300 3.500 2.373 2.142 2.447 0.158 5 0 "[ . 1 . ]" 1
361 1 87 GLU HB3 1 87 GLU HG3 2.100 . 2.500 2.595 2.563 2.654 0.154 3 0 "[ . 1 . ]" 1
362 1 50 ILE MD 1 85 ILE H 4.300 3.400 5.200 5.485 5.399 5.567 0.367 15 0 "[ . 1 . ]" 1
363 1 50 ILE HG13 1 88 LEU HG 3.200 2.600 5.800 5.248 4.925 5.535 . 0 0 "[ . 1 . ]" 1
364 1 28 ALA MB 1 29 ASP H 3.900 3.100 4.700 2.935 2.891 2.998 0.209 5 0 "[ . 1 . ]" 1
365 1 42 PRO HB3 1 42 PRO HD3 3.800 3.000 4.600 3.425 3.032 4.064 . 0 0 "[ . 1 . ]" 1
366 1 72 GLU H 1 72 GLU HB3 3.000 2.400 3.600 3.249 2.469 3.621 0.021 5 0 "[ . 1 . ]" 1
367 1 18 LEU HA 1 20 THR MG 4.000 3.200 4.800 3.519 3.282 3.679 . 0 0 "[ . 1 . ]" 1
368 1 32 LYS H 1 32 LYS HB2 3.100 2.500 3.700 2.611 2.442 2.666 0.058 7 0 "[ . 1 . ]" 1
369 1 50 ILE HA 1 89 ILE MD 4.300 3.400 5.200 4.256 4.200 4.378 . 0 0 "[ . 1 . ]" 1
370 1 50 ILE HB 1 50 ILE HG13 3.800 2.100 4.600 2.281 2.261 2.314 . 0 0 "[ . 1 . ]" 1
371 1 18 LEU HB3 1 20 THR H 3.600 2.900 5.300 5.308 5.071 5.435 0.135 9 0 "[ . 1 . ]" 1
372 1 50 ILE HG13 1 51 ASP H 4.300 3.400 5.200 5.322 5.265 5.411 0.211 11 0 "[ . 1 . ]" 1
373 1 31 LEU HA 1 31 LEU HG 3.100 2.500 3.700 3.167 3.126 3.205 . 0 0 "[ . 1 . ]" 1
374 1 100 ALA HA 1 101 ALA HA 3.300 2.600 5.000 4.824 4.778 4.885 . 0 0 "[ . 1 . ]" 1
375 1 51 ASP HA 1 51 ASP HB3 3.300 2.600 4.000 2.684 2.389 3.013 0.211 10 0 "[ . 1 . ]" 1
376 1 68 THR HG1 1 69 PHE H 3.800 3.000 4.600 3.051 2.822 3.867 0.178 2 0 "[ . 1 . ]" 1
377 1 17 ALA HA 1 19 LYS HB2 3.800 3.000 6.600 5.769 4.847 6.161 . 0 0 "[ . 1 . ]" 1
378 1 15 LYS HD2 1 29 ASP HB3 3.500 2.800 4.200 4.175 3.986 4.469 0.269 2 0 "[ . 1 . ]" 1
379 1 116 ASP HA 1 116 ASP HB2 2.900 2.300 3.500 2.838 2.444 3.022 . 0 0 "[ . 1 . ]" 1
380 1 96 PRO HA 1 98 VAL HA 3.700 3.000 6.400 5.900 5.730 6.107 . 0 0 "[ . 1 . ]" 1
381 1 86 LYS HA 1 86 LYS HB3 3.500 2.800 4.200 3.018 3.000 3.039 . 0 0 "[ . 1 . ]" 1
382 1 58 VAL H 1 58 VAL HB 3.700 . 4.400 2.692 2.645 2.745 . 0 0 "[ . 1 . ]" 1
383 1 47 GLU H 1 47 GLU HB2 2.900 2.300 3.500 2.781 2.361 3.641 0.141 4 0 "[ . 1 . ]" 1
384 1 58 VAL HB 1 59 GLY H 3.700 3.000 4.400 3.980 3.882 4.072 . 0 0 "[ . 1 . ]" 1
385 1 37 VAL MG1 1 42 PRO HB3 4.100 3.300 5.900 5.638 5.174 5.992 0.092 13 0 "[ . 1 . ]" 1
386 1 85 ILE HB 1 85 ILE HG13 3.100 2.500 3.700 2.525 2.469 2.610 0.031 16 0 "[ . 1 . ]" 1
387 1 86 LYS H 1 87 GLU HG3 3.500 2.800 4.200 4.496 4.447 4.553 0.353 17 0 "[ . 1 . ]" 1
388 1 53 LYS H 1 53 LYS HA 3.200 2.600 3.800 2.862 2.819 2.909 . 0 0 "[ . 1 . ]" 1
389 1 84 LEU HA 1 84 LEU MD2 3.700 3.000 4.400 3.782 3.763 3.827 . 0 0 "[ . 1 . ]" 1
390 1 34 PHE HA 1 35 ASP H 4.700 3.800 5.600 3.600 3.554 3.639 0.246 13 0 "[ . 1 . ]" 1
391 1 83 ASN HB2 1 84 LEU H 3.400 2.700 4.100 2.622 2.513 2.695 0.187 13 0 "[ . 1 . ]" 1
392 1 4 LEU HA 1 6 GLN H 3.900 3.100 4.700 4.114 3.962 4.341 . 0 0 "[ . 1 . ]" 1
393 1 85 ILE MG 1 87 GLU HG3 5.300 4.200 6.400 6.104 5.987 6.169 . 0 0 "[ . 1 . ]" 1
394 1 108 ILE MD 1 109 LEU HG 3.600 2.900 4.300 3.949 3.731 4.159 . 0 0 "[ . 1 . ]" 1
395 1 108 ILE H 1 108 ILE HB 4.100 3.300 4.900 3.592 3.584 3.600 . 0 0 "[ . 1 . ]" 1
396 1 79 PHE HA 1 79 PHE HB3 3.400 2.700 4.100 2.812 2.605 3.032 0.095 12 0 "[ . 1 . ]" 1
397 1 30 LEU HA 1 33 PHE H 3.900 3.100 4.700 3.802 3.420 4.267 . 0 0 "[ . 1 . ]" 1
398 1 23 VAL HA 1 24 LYS H 2.900 2.600 3.500 2.463 2.433 2.481 0.167 13 0 "[ . 1 . ]" 1
399 1 108 ILE HA 1 108 ILE MG 3.400 2.700 4.100 2.405 2.298 2.434 0.402 13 0 "[ . 1 . ]" 1
400 1 18 LEU MD2 1 84 LEU HG 3.700 3.000 4.400 4.443 4.283 4.543 0.143 4 0 "[ . 1 . ]" 1
401 1 97 GLN H 1 98 VAL HA 4.400 3.500 5.300 5.349 5.243 5.398 0.098 14 0 "[ . 1 . ]" 1
402 1 108 ILE HA 1 108 ILE HG13 3.400 2.700 4.100 3.689 3.657 3.723 . 0 0 "[ . 1 . ]" 1
403 1 112 ASN H 1 112 ASN HB2 3.400 2.700 4.100 2.613 2.461 3.445 0.239 15 0 "[ . 1 . ]" 1
404 1 98 VAL H 1 100 ALA MB 3.200 2.600 4.800 4.518 4.372 4.618 . 0 0 "[ . 1 . ]" 1
405 1 37 VAL HB 1 38 LYS H 3.700 3.000 4.400 3.651 3.407 3.919 . 0 0 "[ . 1 . ]" 1
406 1 89 ILE HA 1 89 ILE HB 3.600 2.900 4.300 3.039 2.980 3.050 . 0 0 "[ . 1 . ]" 1
407 1 71 PRO HB3 1 72 GLU H 4.600 3.700 5.500 3.873 3.332 4.592 0.368 3 0 "[ . 1 . ]" 1
408 1 66 TYR HB2 1 67 ASN HA 3.800 3.000 5.600 5.578 5.539 5.635 0.035 5 0 "[ . 1 . ]" 1
409 1 31 LEU HA 1 32 LYS H 3.900 3.100 4.700 3.548 3.529 3.568 . 0 0 "[ . 1 . ]" 1
410 1 20 THR H 1 20 THR MG 3.600 . 4.300 1.968 1.655 2.665 0.245 19 0 "[ . 1 . ]" 1
411 1 122 HIS HA 1 122 HIS HB2 2.500 . 3.000 2.912 2.475 3.028 0.028 17 0 "[ . 1 . ]" 1
412 1 100 ALA HA 1 100 ALA MB 3.000 2.400 3.600 2.129 2.112 2.150 0.288 15 0 "[ . 1 . ]" 1
413 1 15 LYS HB2 1 16 GLN HA 3.100 2.500 5.700 4.584 4.377 4.671 . 0 0 "[ . 1 . ]" 1
414 1 47 GLU HB2 1 49 THR HB 4.400 3.500 5.300 4.840 3.358 5.339 0.142 14 0 "[ . 1 . ]" 1
415 1 15 LYS HA 1 23 VAL MG1 4.300 3.400 5.200 5.225 4.865 5.311 0.111 12 0 "[ . 1 . ]" 1
416 1 97 GLN HA 1 98 VAL H 3.100 2.500 3.700 3.460 3.398 3.519 . 0 0 "[ . 1 . ]" 1
417 1 12 GLU H 1 13 GLN HA 4.400 3.500 5.300 5.106 5.009 5.172 . 0 0 "[ . 1 . ]" 1
418 1 17 ALA MB 1 18 LEU MD2 4.300 3.400 5.200 4.624 4.476 4.819 . 0 0 "[ . 1 . ]" 1
419 1 49 THR HA 1 49 THR MG 3.800 3.000 4.600 3.183 3.155 3.207 . 0 0 "[ . 1 . ]" 1
420 1 85 ILE HB 1 88 LEU HB2 3.300 2.600 6.000 5.043 5.011 5.086 . 0 0 "[ . 1 . ]" 1
421 1 73 LYS HB3 1 73 LYS HG2 3.200 2.600 3.800 3.035 2.944 3.052 . 0 0 "[ . 1 . ]" 1
422 1 38 LYS HA 1 38 LYS HD3 3.200 2.600 5.000 4.376 2.358 4.641 0.242 1 0 "[ . 1 . ]" 1
423 1 85 ILE H 1 85 ILE MG 4.300 3.400 5.200 3.478 3.429 3.534 . 0 0 "[ . 1 . ]" 1
424 1 68 THR HG1 1 69 PHE HA 3.400 2.700 5.100 4.078 3.538 5.223 0.123 13 0 "[ . 1 . ]" 1
425 1 84 LEU HG 1 85 ILE HA 3.600 2.900 4.300 3.251 3.109 3.579 . 0 0 "[ . 1 . ]" 1
426 1 74 VAL HA 1 75 PRO HD2 3.400 2.700 4.100 2.461 2.260 2.576 0.440 11 0 "[ . 1 . ]" 1
427 1 15 LYS HD2 1 30 LEU MD1 4.300 3.400 5.200 3.334 3.189 3.978 0.211 11 0 "[ . 1 . ]" 1
428 1 18 LEU HA 1 18 LEU HB3 3.500 2.800 4.200 2.640 2.596 2.687 0.204 4 0 "[ . 1 . ]" 1
429 1 18 LEU HA 1 18 LEU HG 3.000 2.400 3.600 2.334 2.300 2.423 0.100 15 0 "[ . 1 . ]" 1
430 1 68 THR HA 1 69 PHE HA 3.700 3.000 4.400 4.644 4.523 4.804 0.404 11 0 "[ . 1 . ]" 1
431 1 36 PHE H 1 37 VAL HA 3.600 2.900 5.300 5.368 5.313 5.424 0.124 15 0 "[ . 1 . ]" 1
432 1 55 TRP H 1 55 TRP HB2 3.400 . 4.100 2.780 2.660 2.873 . 0 0 "[ . 1 . ]" 1
433 1 69 PHE H 1 70 GLY H 3.800 2.700 4.100 2.547 2.358 2.694 0.342 4 0 "[ . 1 . ]" 1
434 1 21 ARG H 1 22 GLY H 3.300 2.600 4.000 2.777 2.563 3.010 0.037 8 0 "[ . 1 . ]" 1
435 1 62 PHE H 1 63 GLN HB2 2.800 2.200 5.400 4.967 4.792 5.160 . 0 0 "[ . 1 . ]" 1
436 1 54 ARG HA 1 55 TRP H 3.600 2.900 4.300 3.513 3.495 3.541 . 0 0 "[ . 1 . ]" 1
437 1 113 SER H 1 113 SER HB3 3.300 2.600 4.000 3.325 2.585 3.957 0.015 1 0 "[ . 1 . ]" 1
438 1 42 PRO HA 1 43 TRP H 3.900 3.100 4.700 3.508 3.401 3.559 . 0 0 "[ . 1 . ]" 1
439 1 77 THR H 1 77 THR MG 4.200 . 5.000 1.875 1.764 2.010 . 0 0 "[ . 1 . ]" 1
440 1 54 ARG HB2 1 55 TRP H 3.800 3.000 4.600 2.905 2.797 3.485 0.203 12 0 "[ . 1 . ]" 1
441 1 21 ARG H 1 21 ARG HB3 3.500 2.800 4.200 3.584 3.466 3.640 . 0 0 "[ . 1 . ]" 1
442 1 52 ILE H 1 53 LYS H 3.300 2.600 4.000 2.450 2.389 2.604 0.211 4 0 "[ . 1 . ]" 1
443 1 32 LYS HB2 1 33 PHE H 3.600 2.900 4.300 3.655 2.672 3.909 0.228 7 0 "[ . 1 . ]" 1
444 1 33 PHE H 1 33 PHE HB2 3.400 . 4.100 2.387 2.194 2.534 . 0 0 "[ . 1 . ]" 1
445 1 8 GLU HB2 1 9 ARG H 3.400 2.700 4.100 2.866 2.505 3.783 0.195 10 0 "[ . 1 . ]" 1
446 1 54 ARG H 1 55 TRP H 3.300 2.600 4.000 2.646 2.603 2.683 . 0 0 "[ . 1 . ]" 1
447 1 62 PHE H 1 63 GLN HB3 3.200 2.600 4.800 4.860 4.776 4.928 0.128 6 0 "[ . 1 . ]" 1
448 1 45 PRO HG3 1 46 GLN H 3.000 2.400 4.600 4.635 4.359 4.850 0.250 11 0 "[ . 1 . ]" 1
449 1 5 SER HA 1 6 GLN H 3.500 2.800 5.200 3.533 3.512 3.558 . 0 0 "[ . 1 . ]" 1
450 1 59 GLY H 1 61 CYS H 3.600 2.900 4.300 4.159 3.956 4.319 0.019 5 0 "[ . 1 . ]" 1
451 1 29 ASP H 1 29 ASP HB3 3.100 2.500 3.700 3.186 2.526 3.601 . 0 0 "[ . 1 . ]" 1
452 1 67 ASN H 1 67 ASN HB3 3.700 . 4.400 3.333 2.248 3.594 . 0 0 "[ . 1 . ]" 1
453 1 84 LEU HG 1 85 ILE H 3.400 2.700 4.100 3.130 2.834 3.513 . 0 0 "[ . 1 . ]" 1
454 1 29 ASP H 1 30 LEU H 3.300 2.600 4.000 2.721 2.625 2.838 . 0 0 "[ . 1 . ]" 1
455 1 48 GLY H 1 49 THR H 3.500 2.800 4.200 2.740 2.328 3.228 0.472 18 0 "[ . 1 . ]" 1
456 1 52 ILE HB 1 54 ARG H 3.700 3.000 5.400 4.888 4.671 5.531 0.131 4 0 "[ . 1 . ]" 1
457 1 72 GLU H 1 73 LYS H 3.700 . 4.400 2.400 2.159 2.588 . 0 0 "[ . 1 . ]" 1
458 1 56 ARG H 1 56 ARG HB2 3.400 2.700 4.100 2.501 2.403 2.585 0.297 13 0 "[ . 1 . ]" 1
459 1 22 GLY H 1 22 GLY HA2 3.200 2.600 3.800 2.386 2.340 2.447 0.260 11 0 "[ . 1 . ]" 1
460 1 102 VAL H 1 102 VAL MG2 4.000 2.200 4.800 2.291 2.152 2.437 0.048 14 0 "[ . 1 . ]" 1
461 1 48 GLY H 1 49 THR HB 3.700 3.000 4.400 4.468 4.049 4.764 0.364 18 0 "[ . 1 . ]" 1
462 1 66 TYR HB2 1 67 ASN H 3.900 3.100 4.700 3.814 3.733 3.924 . 0 0 "[ . 1 . ]" 1
463 1 117 LEU H 1 117 LEU HA 2.400 . 2.900 2.907 2.783 2.958 0.058 10 0 "[ . 1 . ]" 1
464 1 70 GLY H 1 70 GLY HA2 3.500 2.800 4.200 2.629 2.360 2.936 0.440 16 0 "[ . 1 . ]" 1
465 1 5 SER H 1 6 GLN HA 3.300 2.600 6.000 5.342 5.306 5.462 . 0 0 "[ . 1 . ]" 1
466 1 47 GLU HB2 1 48 GLY H 3.900 3.100 4.700 3.983 3.289 4.185 . 0 0 "[ . 1 . ]" 1
467 1 112 ASN HA 1 113 SER H 2.900 2.300 3.500 3.464 2.753 3.553 0.053 7 0 "[ . 1 . ]" 1
468 1 23 VAL H 1 23 VAL MG1 4.500 3.600 5.400 3.818 3.781 3.839 . 0 0 "[ . 1 . ]" 1
469 1 97 GLN H 1 98 VAL H 3.400 2.700 4.100 2.801 2.700 2.849 . 0 0 "[ . 1 . ]" 1
470 1 46 GLN HB3 1 47 GLU H 3.400 2.700 4.100 3.175 2.408 3.539 0.292 11 0 "[ . 1 . ]" 1
471 1 51 ASP HA 1 52 ILE H 3.800 . 4.300 2.142 2.123 2.162 . 0 0 "[ . 1 . ]" 1
472 1 6 GLN H 1 6 GLN HB2 2.900 2.300 3.500 2.454 2.374 2.551 . 0 0 "[ . 1 . ]" 1
473 1 25 VAL MG1 1 26 LYS H 4.500 3.600 5.400 3.949 3.523 4.193 0.077 5 0 "[ . 1 . ]" 1
474 1 65 TYR HB3 1 66 TYR H 3.700 3.000 4.400 3.577 2.964 3.758 0.036 1 0 "[ . 1 . ]" 1
475 1 29 ASP HB3 1 30 LEU H 3.300 2.600 4.000 3.052 2.429 3.674 0.171 18 0 "[ . 1 . ]" 1
476 1 22 GLY HA2 1 23 VAL H 3.900 3.100 4.700 3.114 3.029 3.238 0.071 3 0 "[ . 1 . ]" 1
477 1 62 PHE H 1 63 GLN HA 3.200 2.600 5.800 5.223 5.138 5.293 . 0 0 "[ . 1 . ]" 1
478 1 29 ASP H 1 29 ASP HA 3.800 3.000 4.600 2.828 2.811 2.844 0.189 11 0 "[ . 1 . ]" 1
479 1 46 GLN H 1 46 GLN HA 3.600 2.900 4.300 2.827 2.779 2.902 0.121 5 0 "[ . 1 . ]" 1
480 1 23 VAL H 1 23 VAL HB 3.800 . 4.600 2.601 2.537 2.679 . 0 0 "[ . 1 . ]" 1
481 1 51 ASP H 1 52 ILE HA 3.200 2.600 5.800 4.885 4.713 4.988 . 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 117
_Distance_constraint_stats_list.Viol_count 781
_Distance_constraint_stats_list.Viol_total 2227.347
_Distance_constraint_stats_list.Viol_max 0.773
_Distance_constraint_stats_list.Viol_rms 0.0953
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0527
_Distance_constraint_stats_list.Viol_average_violations_only 0.1501
_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 4 LEU 0.483 0.194 9 0 "[ . 1 . ]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 7 HIS 0.483 0.194 9 0 "[ . 1 . ]"
1 9 ARG 0.770 0.230 10 0 "[ . 1 . ]"
1 10 TYR 4.772 0.279 13 0 "[ . 1 . ]"
1 11 VAL 3.872 0.238 9 0 "[ . 1 . ]"
1 12 GLU 2.013 0.142 4 0 "[ . 1 . ]"
1 13 GLN 0.770 0.230 10 0 "[ . 1 . ]"
1 14 LEU 5.319 0.373 18 0 "[ . 1 . ]"
1 15 LYS 5.024 0.237 13 0 "[ . 1 . ]"
1 16 GLN 4.967 0.373 18 0 "[ . 1 . ]"
1 17 ALA 0.101 0.090 9 0 "[ . 1 . ]"
1 18 LEU 1.159 0.107 14 0 "[ . 1 . ]"
1 19 LYS 1.269 0.293 17 0 "[ . 1 . ]"
1 20 THR 3.815 0.293 17 0 "[ . 1 . ]"
1 21 ARG 4.823 0.266 17 0 "[ . 1 . ]"
1 23 VAL 5.941 0.283 10 0 "[ . 1 . ]"
1 24 LYS 3.291 0.283 10 0 "[ . 1 . ]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 29 ASP 5.770 0.401 3 0 "[ . 1 . ]"
1 30 LEU 6.325 0.381 13 0 "[ . 1 . ]"
1 31 LEU 16.459 0.401 3 0 "[ . 1 . ]"
1 32 LYS 10.869 0.365 7 0 "[ . 1 . ]"
1 33 PHE 0.562 0.176 7 0 "[ . 1 . ]"
1 34 PHE 7.185 0.381 13 0 "[ . 1 . ]"
1 36 PHE 3.298 0.493 16 0 "[ . 1 . ]"
1 37 VAL 2.824 0.773 18 1 "[ . 1 . + ]"
1 38 LYS 0.367 0.124 18 0 "[ . 1 . ]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 40 THR 0.026 0.026 14 0 "[ . 1 . ]"
1 42 PRO 2.934 0.773 18 1 "[ . 1 . + ]"
1 43 TRP 3.767 0.617 18 1 "[ . 1 . + ]"
1 44 PHE 2.143 0.485 18 0 "[ . 1 . ]"
1 45 PRO 0.350 0.105 5 0 "[ . 1 . ]"
1 46 GLN 3.065 0.416 15 0 "[ . 1 . ]"
1 47 GLU 2.986 0.252 6 0 "[ . 1 . ]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 49 THR 6.941 0.485 18 0 "[ . 1 . ]"
1 50 ILE 11.396 0.301 18 0 "[ . 1 . ]"
1 51 ASP 1.355 0.249 18 0 "[ . 1 . ]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 55 TRP 3.107 0.247 9 0 "[ . 1 . ]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 58 VAL 9.576 0.493 16 0 "[ . 1 . ]"
1 62 PHE 2.035 0.232 4 0 "[ . 1 . ]"
1 65 TYR 0.289 0.174 7 0 "[ . 1 . ]"
1 66 TYR 3.552 0.576 5 2 "[ -+ 1 . ]"
1 67 ASN 0.964 0.165 2 0 "[ . 1 . ]"
1 68 THR 1.897 0.177 15 0 "[ . 1 . ]"
1 69 PHE 1.957 0.177 15 0 "[ . 1 . ]"
1 71 PRO 4.752 0.576 5 2 "[ -+ 1 . ]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 73 LYS 1.732 0.379 18 0 "[ . 1 . ]"
1 74 VAL 3.929 0.379 18 0 "[ . 1 . ]"
1 77 THR 0.207 0.062 6 0 "[ . 1 . ]"
1 78 ALA 0.019 0.019 6 0 "[ . 1 . ]"
1 79 PHE 5.672 0.378 3 0 "[ . 1 . ]"
1 81 TYR 5.384 0.309 9 0 "[ . 1 . ]"
1 82 TRP 7.823 0.421 18 0 "[ . 1 . ]"
1 83 ASN 3.048 0.252 3 0 "[ . 1 . ]"
1 84 LEU 0.101 0.090 9 0 "[ . 1 . ]"
1 85 ILE 16.398 0.617 18 1 "[ . 1 . + ]"
1 86 LYS 3.635 0.587 18 1 "[ . 1 . + ]"
1 88 LEU 2.071 0.354 4 0 "[ . 1 . ]"
1 89 ILE 7.853 0.587 18 1 "[ . 1 . + ]"
1 91 LYS 0.053 0.045 6 0 "[ . 1 . ]"
1 94 VAL 0.497 0.106 16 0 "[ . 1 . ]"
1 95 ASN 0.514 0.144 14 0 "[ . 1 . ]"
1 97 GLN 3.714 0.252 6 0 "[ . 1 . ]"
1 98 VAL 0.514 0.144 14 0 "[ . 1 . ]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 103 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 82 TRP HA 1 85 ILE MG 3.800 3.000 4.600 2.925 2.819 3.025 0.181 5 0 "[ . 1 . ]" 2
2 1 43 TRP HZ2 1 85 ILE MG 3.800 3.000 4.600 3.411 2.902 5.217 0.617 18 1 "[ . 1 . + ]" 2
3 1 50 ILE MG 1 85 ILE MG 3.500 . 4.300 2.103 2.015 2.149 . 0 0 "[ . 1 . ]" 2
4 1 50 ILE MG 1 89 ILE MD 3.500 2.700 4.300 2.566 2.433 3.553 0.267 2 0 "[ . 1 . ]" 2
5 1 17 ALA MB 1 84 LEU MD1 3.500 2.700 4.300 3.601 2.610 4.311 0.090 9 0 "[ . 1 . ]" 2
6 1 52 ILE MG 1 53 LYS H 3.500 2.700 4.300 3.469 3.324 3.949 . 0 0 "[ . 1 . ]" 2
7 1 65 TYR QD 1 68 THR HG1 3.500 2.700 4.300 3.804 3.152 4.351 0.051 16 0 "[ . 1 . ]" 2
8 1 55 TRP HH2 1 58 VAL MG2 3.500 2.500 4.300 4.463 4.376 4.547 0.247 9 0 "[ . 1 . ]" 2
9 1 58 VAL MG2 1 62 PHE QE 3.500 2.700 4.300 2.813 2.480 3.549 0.220 4 0 "[ . 1 . ]" 2
10 1 55 TRP HZ3 1 58 VAL MG2 3.500 2.700 4.300 3.042 2.791 3.324 . 0 0 "[ . 1 . ]" 2
11 1 58 VAL MG2 1 62 PHE H 3.500 2.700 4.300 3.916 3.485 4.321 0.021 4 0 "[ . 1 . ]" 2
12 1 42 PRO HB2 1 58 VAL MG2 4.000 3.200 4.300 4.320 4.104 4.456 0.156 4 0 "[ . 1 . ]" 2
13 1 55 TRP HB2 1 58 VAL MG1 3.500 2.700 4.300 3.951 3.863 4.070 . 0 0 "[ . 1 . ]" 2
14 1 36 PHE HB2 1 58 VAL MG2 3.500 2.700 5.300 5.447 5.191 5.793 0.493 16 0 "[ . 1 . ]" 2
15 1 36 PHE H 1 37 VAL MG2 3.500 2.700 4.300 3.701 3.528 3.805 . 0 0 "[ . 1 . ]" 2
16 1 79 PHE HB2 1 79 PHE QD 3.800 3.000 4.600 2.701 2.622 2.775 0.378 3 0 "[ . 1 . ]" 2
17 1 71 PRO HA 1 74 VAL MG2 3.500 2.700 4.300 4.220 2.573 4.650 0.350 19 0 "[ . 1 . ]" 2
18 1 73 LYS HB2 1 74 VAL MG2 3.500 2.700 5.300 5.254 4.337 5.679 0.379 18 0 "[ . 1 . ]" 2
19 1 18 LEU MD1 1 23 VAL MG2 3.500 2.700 4.300 3.836 3.659 4.014 . 0 0 "[ . 1 . ]" 2
20 1 21 ARG HG2 1 23 VAL MG2 3.500 2.700 4.300 4.409 4.250 4.566 0.266 17 0 "[ . 1 . ]" 2
21 1 23 VAL MG2 1 81 TYR QE 3.500 2.700 4.300 4.177 3.763 4.506 0.206 15 0 "[ . 1 . ]" 2
22 1 20 THR MG 1 21 ARG HB2 3.500 2.700 4.300 4.049 3.258 4.405 0.105 19 0 "[ . 1 . ]" 2
23 1 20 THR MG 1 21 ARG HG2 3.500 2.700 4.300 2.594 2.473 2.826 0.227 1 0 "[ . 1 . ]" 2
24 1 19 LYS H 1 20 THR MG 3.500 2.700 4.300 3.865 3.418 4.593 0.293 17 0 "[ . 1 . ]" 2
25 1 48 GLY H 1 49 THR MG 3.500 2.700 5.300 3.754 3.015 4.161 . 0 0 "[ . 1 . ]" 2
26 1 49 THR MG 1 51 ASP H 3.500 2.700 4.300 4.363 4.247 4.549 0.249 18 0 "[ . 1 . ]" 2
27 1 46 GLN H 1 49 THR MG 3.500 2.700 5.300 5.433 4.771 5.716 0.416 15 0 "[ . 1 . ]" 2
28 1 44 PHE QE 1 49 THR MG 3.500 2.700 4.300 4.364 3.950 4.785 0.485 18 0 "[ . 1 . ]" 2
29 1 95 ASN H 1 98 VAL MG2 3.500 2.700 4.300 3.878 2.908 4.444 0.144 14 0 "[ . 1 . ]" 2
30 1 4 LEU MD1 1 7 HIS HB2 3.500 2.700 4.300 2.840 2.608 4.494 0.194 9 0 "[ . 1 . ]" 2
31 1 14 LEU MD1 1 16 GLN H 3.500 2.700 4.300 4.561 4.395 4.673 0.373 18 0 "[ . 1 . ]" 2
32 1 14 LEU MD1 1 18 LEU H 3.500 2.700 4.300 3.459 3.053 3.878 . 0 0 "[ . 1 . ]" 2
33 1 18 LEU MD1 1 81 TYR QD 3.500 2.700 4.300 2.667 2.593 2.979 0.107 14 0 "[ . 1 . ]" 2
34 1 40 THR HG1 1 58 VAL MG1 3.500 2.700 5.300 4.927 4.560 5.326 0.026 14 0 "[ . 1 . ]" 2
35 1 43 TRP HZ3 1 58 VAL MG1 3.500 2.700 4.300 4.100 3.244 4.377 0.077 6 0 "[ . 1 . ]" 2
36 1 55 TRP HH2 1 58 VAL MG1 3.500 2.700 5.300 4.255 4.063 4.431 . 0 0 "[ . 1 . ]" 2
37 1 55 TRP HZ2 1 58 VAL MG1 3.500 2.700 5.300 5.050 4.896 5.204 . 0 0 "[ . 1 . ]" 2
38 1 11 VAL MG2 1 15 LYS HD2 3.500 2.700 4.300 4.458 4.362 4.537 0.237 13 0 "[ . 1 . ]" 2
39 1 11 VAL MG2 1 34 PHE QD 3.500 2.700 4.300 2.747 2.462 3.361 0.238 9 0 "[ . 1 . ]" 2
40 1 29 ASP H 1 30 LEU MD1 3.500 2.700 4.300 3.481 3.309 4.258 . 0 0 "[ . 1 . ]" 2
41 1 37 VAL MG2 1 38 LYS HD2 3.500 2.700 5.300 5.196 4.557 5.424 0.124 18 0 "[ . 1 . ]" 2
42 1 37 VAL MG2 1 42 PRO HD2 3.500 2.700 4.300 4.310 3.874 5.073 0.773 18 1 "[ . 1 . + ]" 2
43 1 37 VAL MG1 1 58 VAL MG2 3.500 2.700 4.300 3.732 3.407 4.081 . 0 0 "[ . 1 . ]" 2
44 1 29 ASP H 1 31 LEU HG 3.500 2.700 4.300 4.604 4.521 4.701 0.401 3 0 "[ . 1 . ]" 2
45 1 85 ILE HA 1 88 LEU HG 3.500 2.700 5.300 3.943 3.585 4.531 . 0 0 "[ . 1 . ]" 2
46 1 85 ILE HG13 1 88 LEU HG 3.500 2.700 5.300 4.944 4.502 5.654 0.354 4 0 "[ . 1 . ]" 2
47 1 30 LEU HG 1 34 PHE QD 3.500 2.700 4.300 4.395 3.941 4.515 0.215 9 0 "[ . 1 . ]" 2
48 1 50 ILE QG 1 85 ILE QG 3.500 2.700 4.300 4.134 4.031 4.277 . 0 0 "[ . 1 . ]" 2
49 1 50 ILE QG 1 89 ILE HA 3.500 2.700 4.300 4.474 4.359 4.546 0.246 11 0 "[ . 1 . ]" 2
50 1 12 GLU H 1 15 LYS HG3 3.500 2.700 5.300 5.406 5.372 5.442 0.142 4 0 "[ . 1 . ]" 2
51 1 15 LYS HG2 1 16 GLN H 3.500 2.700 5.300 5.091 5.007 5.132 . 0 0 "[ . 1 . ]" 2
52 1 42 PRO HD2 1 43 TRP HA 3.500 2.700 5.300 5.146 4.896 5.489 0.189 18 0 "[ . 1 . ]" 2
53 1 10 TYR QE 1 50 ILE MD 4.100 3.300 4.600 3.317 3.021 4.602 0.279 13 0 "[ . 1 . ]" 2
54 1 68 THR HB 1 69 PHE QD 4.100 3.300 4.900 4.842 3.954 5.037 0.137 14 0 "[ . 1 . ]" 2
55 1 10 TYR QD 1 14 LEU HG 3.900 3.100 4.700 3.892 3.172 4.190 . 0 0 "[ . 1 . ]" 2
56 1 44 PHE QD 1 45 PRO HD3 4.300 3.400 5.200 5.041 4.510 5.305 0.105 5 0 "[ . 1 . ]" 2
57 1 10 TYR QD 1 14 LEU MD2 4.600 3.500 5.700 3.602 3.322 3.972 0.178 4 0 "[ . 1 . ]" 2
58 1 10 TYR HB2 1 10 TYR QD 3.900 2.100 4.700 2.446 2.339 2.629 . 0 0 "[ . 1 . ]" 2
59 1 68 THR HG1 1 69 PHE QD 3.700 3.000 4.400 3.091 2.823 4.254 0.177 15 0 "[ . 1 . ]" 2
60 1 34 PHE HB2 1 34 PHE QD 3.700 . 4.400 2.357 2.257 2.620 . 0 0 "[ . 1 . ]" 2
61 1 65 TYR HB2 1 65 TYR QD 3.700 . 4.400 2.353 2.313 2.582 . 0 0 "[ . 1 . ]" 2
62 1 33 PHE QD 1 37 VAL MG2 4.100 3.300 4.900 3.720 3.412 4.082 . 0 0 "[ . 1 . ]" 2
63 1 33 PHE QE 1 37 VAL MG1 3.900 3.100 4.700 3.491 3.001 4.758 0.099 12 0 "[ . 1 . ]" 2
64 1 10 TYR QE 1 85 ILE MD 4.500 3.600 5.400 3.664 3.501 3.806 0.099 9 0 "[ . 1 . ]" 2
65 1 10 TYR QD 1 85 ILE MD 4.500 3.600 5.400 5.440 4.900 5.601 0.201 13 0 "[ . 1 . ]" 2
66 1 66 TYR QE 1 67 ASN HA 4.100 3.300 4.900 4.943 4.836 5.065 0.165 2 0 "[ . 1 . ]" 2
67 1 10 TYR QE 1 85 ILE MG 5.300 4.200 6.400 5.892 5.727 6.167 . 0 0 "[ . 1 . ]" 2
68 1 10 TYR HB2 1 10 TYR QE 4.000 3.200 4.800 4.448 4.415 4.492 . 0 0 "[ . 1 . ]" 2
69 1 65 TYR HB2 1 65 TYR QE 4.100 3.300 4.900 4.432 4.419 4.492 . 0 0 "[ . 1 . ]" 2
70 1 66 TYR QE 1 74 VAL MG1 4.700 2.800 5.600 3.954 2.789 5.606 0.011 12 0 "[ . 1 . ]" 2
71 1 55 TRP HZ2 1 78 ALA MB 3.700 3.000 4.400 3.948 3.451 4.419 0.019 6 0 "[ . 1 . ]" 2
72 1 36 PHE QD 1 37 VAL MG1 4.100 3.300 4.900 4.360 3.142 4.932 0.158 9 0 "[ . 1 . ]" 2
73 1 66 TYR QE 1 71 PRO HD2 4.100 3.300 4.900 4.529 3.142 5.476 0.576 5 2 "[ -+ 1 . ]" 2
74 1 81 TYR QD 1 85 ILE HB 3.500 2.700 4.300 4.492 4.362 4.609 0.309 9 0 "[ . 1 . ]" 2
75 1 82 TRP H 1 85 ILE HB 3.500 2.700 4.300 4.635 4.567 4.721 0.421 18 0 "[ . 1 . ]" 2
76 1 43 TRP HE1 1 50 ILE HB 3.500 2.700 4.300 4.414 4.302 4.601 0.301 18 0 "[ . 1 . ]" 2
77 1 50 ILE HB 1 51 ASP H 3.500 2.700 4.300 3.916 3.786 4.038 . 0 0 "[ . 1 . ]" 2
78 1 33 PHE H 1 34 PHE HB2 3.500 2.700 5.300 4.931 4.624 5.080 . 0 0 "[ . 1 . ]" 2
79 1 10 TYR QE 1 14 LEU HB2 3.500 2.700 4.300 3.392 3.139 3.909 . 0 0 "[ . 1 . ]" 2
80 1 31 LEU HB2 1 32 LYS H 3.500 2.700 4.300 2.454 2.342 2.565 0.358 4 0 "[ . 1 . ]" 2
81 1 31 LEU HB2 1 32 LYS HA 3.500 2.700 4.300 4.194 4.091 4.226 . 0 0 "[ . 1 . ]" 2
82 1 51 ASP HA 1 52 ILE MG 3.500 2.700 5.500 5.444 5.427 5.476 . 0 0 "[ . 1 . ]" 2
83 1 23 VAL HB 1 24 LYS HA 3.500 2.700 4.300 4.473 4.415 4.583 0.283 10 0 "[ . 1 . ]" 2
84 1 24 LYS HA 1 25 VAL MG2 3.500 2.700 4.300 3.452 3.201 4.105 . 0 0 "[ . 1 . ]" 2
85 1 30 LEU HA 1 34 PHE HA 3.500 2.700 4.300 4.519 4.386 4.681 0.381 13 0 "[ . 1 . ]" 2
86 1 30 LEU HA 1 34 PHE QD 3.500 2.700 4.300 4.121 3.434 4.298 . 0 0 "[ . 1 . ]" 2
87 1 18 LEU HA 1 21 ARG HA 3.500 2.700 5.300 5.054 4.745 5.369 0.069 15 0 "[ . 1 . ]" 2
88 1 31 LEU HA 1 32 LYS HA 3.500 2.700 4.300 4.617 4.586 4.665 0.365 7 0 "[ . 1 . ]" 2
89 1 38 LYS HA 1 39 ASP HA 3.500 2.700 5.300 4.867 4.656 4.938 . 0 0 "[ . 1 . ]" 2
90 1 13 GLN HA 1 16 GLN H 3.500 2.700 4.300 3.625 3.518 4.190 . 0 0 "[ . 1 . ]" 2
91 1 9 ARG HB3 1 13 GLN HA 3.500 2.700 5.300 5.267 4.907 5.530 0.230 10 0 "[ . 1 . ]" 2
92 1 86 LYS HA 1 89 ILE MD 3.500 2.700 5.300 4.690 4.528 5.887 0.587 18 1 "[ . 1 . + ]" 2
93 1 85 ILE HA 1 86 LYS HA 3.500 2.700 5.300 4.770 4.730 4.798 . 0 0 "[ . 1 . ]" 2
94 1 83 ASN HA 1 86 LYS HA 3.500 2.700 5.300 5.460 5.344 5.552 0.252 3 0 "[ . 1 . ]" 2
95 1 4 LEU HG 1 5 SER HA 3.500 2.700 4.300 3.930 3.662 4.035 . 0 0 "[ . 1 . ]" 2
96 1 84 LEU HA 1 85 ILE HA 3.500 2.700 5.300 4.811 4.762 4.850 . 0 0 "[ . 1 . ]" 2
97 1 68 THR HA 1 69 PHE H 3.500 2.700 4.300 3.437 3.390 3.511 . 0 0 "[ . 1 . ]" 2
98 1 89 ILE HA 1 94 VAL MG1 3.500 2.700 4.300 2.978 2.594 4.026 0.106 16 0 "[ . 1 . ]" 2
99 1 89 ILE HA 1 91 LYS HB2 3.500 2.700 5.300 4.949 4.212 5.345 0.045 6 0 "[ . 1 . ]" 2
100 1 58 VAL HA 1 62 PHE QE 3.500 2.700 4.300 4.258 3.674 4.532 0.232 4 0 "[ . 1 . ]" 2
101 1 77 THR HB 1 81 TYR QE 3.500 2.700 4.300 3.843 3.039 4.362 0.062 6 0 "[ . 1 . ]" 2
102 1 49 THR HB 1 97 GLN HA 3.500 2.700 5.300 5.118 4.501 5.544 0.244 14 0 "[ . 1 . ]" 2
103 1 72 GLU HG2 1 73 LYS H 3.500 2.700 5.300 4.447 3.554 5.051 . 0 0 "[ . 1 . ]" 2
104 1 43 TRP HE1 1 85 ILE MD 3.500 2.700 5.300 3.459 2.720 5.457 0.157 18 0 "[ . 1 . ]" 2
105 1 36 PHE QD 1 58 VAL MG2 3.500 2.700 5.300 3.959 2.923 4.572 . 0 0 "[ . 1 . ]" 2
106 1 33 PHE QE 1 37 VAL MG2 3.500 2.700 5.300 4.018 3.365 5.476 0.176 7 0 "[ . 1 . ]" 2
107 1 11 VAL MG2 1 34 PHE QE 3.500 2.700 5.300 2.990 2.616 4.075 0.084 4 0 "[ . 1 . ]" 2
108 1 30 LEU MD2 1 34 PHE QE 3.500 2.700 5.300 4.589 3.866 5.030 . 0 0 "[ . 1 . ]" 2
109 1 55 TRP HD1 1 56 ARG HA 3.500 2.700 5.300 4.112 3.974 4.235 . 0 0 "[ . 1 . ]" 2
110 1 65 TYR HA 1 69 PHE QD 3.500 2.700 5.300 4.224 3.110 5.474 0.174 7 0 "[ . 1 . ]" 2
111 1 32 LYS HG2 1 33 PHE QD 3.500 2.700 5.300 5.048 4.048 5.441 0.141 7 0 "[ . 1 . ]" 2
112 1 47 GLU HB3 1 97 GLN HG3 3.200 . 5.700 5.686 5.197 5.935 0.235 5 0 "[ . 1 . ]" 2
113 1 47 GLU HB3 1 97 GLN HA 3.200 . 5.700 5.773 5.378 5.952 0.252 6 0 "[ . 1 . ]" 2
114 1 47 GLU HB3 1 101 ALA MB 3.200 . 5.700 3.714 2.240 5.296 . 0 0 "[ . 1 . ]" 2
115 1 47 GLU HB3 1 100 ALA MB 3.200 . 5.700 4.907 4.678 5.176 . 0 0 "[ . 1 . ]" 2
116 1 47 GLU HB3 1 103 ALA MB 3.200 . 5.700 5.356 4.829 5.491 . 0 0 "[ . 1 . ]" 2
117 1 47 GLU HG3 1 101 ALA MB 3.200 . 5.700 3.851 2.317 5.110 . 0 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 84
_Distance_constraint_stats_list.Viol_count 906
_Distance_constraint_stats_list.Viol_total 1775.028
_Distance_constraint_stats_list.Viol_max 0.411
_Distance_constraint_stats_list.Viol_rms 0.0793
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0585
_Distance_constraint_stats_list.Viol_average_violations_only 0.1031
_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 4 LEU 4.625 0.267 8 0 "[ . 1 . ]"
1 5 SER 1.998 0.142 10 0 "[ . 1 . ]"
1 6 GLN 1.240 0.147 8 0 "[ . 1 . ]"
1 7 HIS 1.202 0.166 13 0 "[ . 1 . ]"
1 8 GLU 13.003 0.348 13 0 "[ . 1 . ]"
1 9 ARG 11.962 0.411 13 0 "[ . 1 . ]"
1 10 TYR 2.174 0.281 9 0 "[ . 1 . ]"
1 11 VAL 3.615 0.183 2 0 "[ . 1 . ]"
1 12 GLU 9.451 0.348 13 0 "[ . 1 . ]"
1 13 GLN 10.306 0.411 13 0 "[ . 1 . ]"
1 14 LEU 1.674 0.281 9 0 "[ . 1 . ]"
1 15 LYS 2.413 0.183 2 0 "[ . 1 . ]"
1 16 GLN 5.845 0.331 15 0 "[ . 1 . ]"
1 17 ALA 0.342 0.141 4 0 "[ . 1 . ]"
1 18 LEU 0.740 0.154 3 0 "[ . 1 . ]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 20 THR 4.772 0.331 15 0 "[ . 1 . ]"
1 27 TYR 4.819 0.313 3 0 "[ . 1 . ]"
1 29 ASP 5.783 0.344 3 0 "[ . 1 . ]"
1 30 LEU 1.634 0.240 7 0 "[ . 1 . ]"
1 31 LEU 12.653 0.356 4 0 "[ . 1 . ]"
1 32 LYS 2.440 0.267 2 0 "[ . 1 . ]"
1 33 PHE 6.006 0.344 3 0 "[ . 1 . ]"
1 34 PHE 1.682 0.240 7 0 "[ . 1 . ]"
1 35 ASP 8.705 0.356 4 0 "[ . 1 . ]"
1 36 PHE 2.440 0.267 2 0 "[ . 1 . ]"
1 37 VAL 0.223 0.072 2 0 "[ . 1 . ]"
1 38 LYS 0.048 0.029 5 0 "[ . 1 . ]"
1 39 ASP 0.871 0.149 2 0 "[ . 1 . ]"
1 53 LYS 4.265 0.268 11 0 "[ . 1 . ]"
1 54 ARG 0.986 0.103 3 0 "[ . 1 . ]"
1 55 TRP 0.413 0.106 6 0 "[ . 1 . ]"
1 56 ARG 2.538 0.205 16 0 "[ . 1 . ]"
1 57 ARG 4.566 0.268 11 0 "[ . 1 . ]"
1 58 VAL 1.496 0.118 4 0 "[ . 1 . ]"
1 59 GLY 1.776 0.144 8 0 "[ . 1 . ]"
1 60 ASP 3.032 0.205 16 0 "[ . 1 . ]"
1 61 CYS 2.337 0.112 11 0 "[ . 1 . ]"
1 62 PHE 2.811 0.211 7 0 "[ . 1 . ]"
1 63 GLN 1.669 0.144 8 0 "[ . 1 . ]"
1 64 ASP 2.617 0.246 4 0 "[ . 1 . ]"
1 65 TYR 2.037 0.112 11 0 "[ . 1 . ]"
1 66 TYR 2.301 0.211 7 0 "[ . 1 . ]"
1 67 ASN 0.307 0.066 6 0 "[ . 1 . ]"
1 68 THR 2.123 0.246 4 0 "[ . 1 . ]"
1 78 ALA 2.132 0.154 13 0 "[ . 1 . ]"
1 79 PHE 0.018 0.018 10 0 "[ . 1 . ]"
1 80 SER 0.057 0.057 5 0 "[ . 1 . ]"
1 81 TYR 1.368 0.116 15 0 "[ . 1 . ]"
1 82 TRP 3.914 0.157 9 0 "[ . 1 . ]"
1 83 ASN 3.242 0.161 5 0 "[ . 1 . ]"
1 84 LEU 2.099 0.157 6 0 "[ . 1 . ]"
1 85 ILE 4.726 0.195 11 0 "[ . 1 . ]"
1 86 LYS 1.781 0.157 9 0 "[ . 1 . ]"
1 87 GLU 3.223 0.161 5 0 "[ . 1 . ]"
1 88 LEU 2.042 0.157 6 0 "[ . 1 . ]"
1 89 ILE 3.358 0.195 11 0 "[ . 1 . ]"
1 97 GLN 0.471 0.093 5 0 "[ . 1 . ]"
1 101 ALA 0.471 0.093 5 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 4 LEU O 1 8 GLU H 1.800 . 2.300 2.435 1.753 2.567 0.267 8 0 "[ . 1 . ]" 3
2 1 4 LEU O 1 8 GLU N 2.800 2.800 3.300 3.340 2.710 3.447 0.147 8 0 "[ . 1 . ]" 3
3 1 5 SER O 1 9 ARG H 1.800 . 2.300 2.345 1.842 2.442 0.142 10 0 "[ . 1 . ]" 3
4 1 5 SER O 1 9 ARG N 2.800 2.800 3.300 3.296 2.753 3.387 0.087 10 0 "[ . 1 . ]" 3
5 1 6 GLN O 1 10 TYR H 1.800 . 2.300 1.929 1.789 2.373 0.073 9 0 "[ . 1 . ]" 3
6 1 6 GLN O 1 10 TYR N 2.800 2.800 3.300 2.777 2.653 3.181 0.147 8 0 "[ . 1 . ]" 3
7 1 7 HIS O 1 11 VAL H 1.800 . 2.300 2.362 2.286 2.466 0.166 13 0 "[ . 1 . ]" 3
8 1 7 HIS O 1 11 VAL N 2.800 2.800 3.300 3.198 3.092 3.296 . 0 0 "[ . 1 . ]" 3
9 1 8 GLU O 1 12 GLU H 1.800 . 2.300 2.533 2.110 2.648 0.348 13 0 "[ . 1 . ]" 3
10 1 8 GLU O 1 12 GLU N 2.800 2.800 3.300 3.486 3.078 3.587 0.287 13 0 "[ . 1 . ]" 3
11 1 9 ARG O 1 13 GLN H 1.800 . 2.300 1.606 1.504 1.775 0.296 11 0 "[ . 1 . ]" 3
12 1 9 ARG O 1 13 GLN N 2.800 2.800 3.300 2.469 2.389 2.526 0.411 13 0 "[ . 1 . ]" 3
13 1 10 TYR O 1 14 LEU H 1.800 . 2.300 1.990 1.821 2.581 0.281 9 0 "[ . 1 . ]" 3
14 1 10 TYR O 1 14 LEU N 2.800 2.800 3.300 2.858 2.675 3.406 0.125 13 0 "[ . 1 . ]" 3
15 1 11 VAL O 1 15 LYS H 1.800 . 2.300 2.407 2.207 2.483 0.183 2 0 "[ . 1 . ]" 3
16 1 11 VAL O 1 15 LYS N 2.800 2.800 3.300 3.289 3.111 3.347 0.047 2 0 "[ . 1 . ]" 3
17 1 12 GLU O 1 16 GLN H 1.800 . 2.300 2.134 1.722 2.406 0.106 18 0 "[ . 1 . ]" 3
18 1 12 GLU O 1 16 GLN N 2.800 2.800 3.300 2.940 2.587 3.204 0.213 9 0 "[ . 1 . ]" 3
19 1 13 GLN O 1 17 ALA H 1.800 . 2.300 2.012 1.789 2.350 0.050 10 0 "[ . 1 . ]" 3
20 1 13 GLN O 1 17 ALA N 2.800 2.800 3.300 2.891 2.659 3.235 0.141 4 0 "[ . 1 . ]" 3
21 1 14 LEU O 1 18 LEU H 1.800 . 2.300 2.294 2.041 2.454 0.154 3 0 "[ . 1 . ]" 3
22 1 14 LEU O 1 18 LEU N 2.800 2.800 3.300 3.151 2.992 3.263 . 0 0 "[ . 1 . ]" 3
23 1 15 LYS O 1 19 LYS H 1.800 . 2.300 2.214 2.094 2.296 . 0 0 "[ . 1 . ]" 3
24 1 15 LYS O 1 19 LYS N 2.800 2.800 3.300 3.060 2.884 3.158 . 0 0 "[ . 1 . ]" 3
25 1 16 GLN O 1 20 THR H 1.800 . 2.300 2.478 2.359 2.631 0.331 15 0 "[ . 1 . ]" 3
26 1 16 GLN O 1 20 THR N 2.800 2.800 3.300 3.372 3.294 3.503 0.203 15 0 "[ . 1 . ]" 3
27 1 27 TYR O 1 31 LEU H 1.800 . 2.300 2.450 2.327 2.613 0.313 3 0 "[ . 1 . ]" 3
28 1 27 TYR O 1 31 LEU N 2.800 2.800 3.300 3.403 3.287 3.530 0.230 3 0 "[ . 1 . ]" 3
29 1 29 ASP O 1 33 PHE H 1.800 . 2.300 1.728 1.635 1.868 0.165 11 0 "[ . 1 . ]" 3
30 1 29 ASP O 1 33 PHE N 2.800 2.800 3.300 2.572 2.456 2.701 0.344 3 0 "[ . 1 . ]" 3
31 1 30 LEU O 1 34 PHE H 1.800 . 2.300 1.999 1.838 2.407 0.107 4 0 "[ . 1 . ]" 3
32 1 30 LEU O 1 34 PHE N 2.800 2.800 3.300 2.756 2.560 3.158 0.240 7 0 "[ . 1 . ]" 3
33 1 31 LEU O 1 35 ASP H 1.800 . 2.300 2.580 2.528 2.656 0.356 4 0 "[ . 1 . ]" 3
34 1 31 LEU O 1 35 ASP N 2.800 2.800 3.300 3.432 3.381 3.558 0.258 4 0 "[ . 1 . ]" 3
35 1 32 LYS O 1 36 PHE H 1.800 . 2.300 1.892 1.692 2.360 0.108 16 0 "[ . 1 . ]" 3
36 1 32 LYS O 1 36 PHE N 2.800 2.800 3.300 2.728 2.533 3.189 0.267 2 0 "[ . 1 . ]" 3
37 1 33 PHE O 1 37 VAL H 1.800 . 2.300 2.163 1.784 2.372 0.072 2 0 "[ . 1 . ]" 3
38 1 33 PHE O 1 37 VAL N 2.800 2.800 3.300 3.121 2.748 3.309 0.052 7 0 "[ . 1 . ]" 3
39 1 34 PHE O 1 38 LYS H 1.800 . 2.300 2.070 1.856 2.278 . 0 0 "[ . 1 . ]" 3
40 1 34 PHE O 1 38 LYS N 2.800 2.800 3.300 2.961 2.771 3.161 0.029 5 0 "[ . 1 . ]" 3
41 1 35 ASP O 1 39 ASP H 1.800 . 2.300 2.284 2.003 2.449 0.149 2 0 "[ . 1 . ]" 3
42 1 35 ASP O 1 39 ASP N 2.800 2.800 3.300 3.066 2.785 3.341 0.041 4 0 "[ . 1 . ]" 3
43 1 53 LYS O 1 57 ARG H 1.800 . 2.300 2.470 2.402 2.568 0.268 11 0 "[ . 1 . ]" 3
44 1 53 LYS O 1 57 ARG N 2.800 2.800 3.300 3.354 3.292 3.447 0.147 11 0 "[ . 1 . ]" 3
45 1 54 ARG O 1 58 VAL H 1.800 . 2.300 2.289 2.105 2.403 0.103 3 0 "[ . 1 . ]" 3
46 1 54 ARG O 1 58 VAL N 2.800 2.800 3.300 3.250 3.071 3.359 0.059 8 0 "[ . 1 . ]" 3
47 1 55 TRP O 1 59 GLY H 1.800 . 2.300 1.962 1.788 2.281 0.012 8 0 "[ . 1 . ]" 3
48 1 55 TRP O 1 59 GLY N 2.800 2.800 3.300 2.875 2.694 3.159 0.106 6 0 "[ . 1 . ]" 3
49 1 56 ARG O 1 60 ASP H 1.800 . 2.300 1.790 1.702 1.892 0.098 14 0 "[ . 1 . ]" 3
50 1 56 ARG O 1 60 ASP N 2.800 2.800 3.300 2.693 2.595 2.786 0.205 16 0 "[ . 1 . ]" 3
51 1 57 ARG O 1 61 CYS H 1.800 . 2.300 2.236 1.997 2.399 0.099 4 0 "[ . 1 . ]" 3
52 1 57 ARG O 1 61 CYS N 2.800 2.800 3.300 3.143 2.936 3.316 0.016 5 0 "[ . 1 . ]" 3
53 1 58 VAL O 1 62 PHE H 1.800 . 2.300 2.217 1.948 2.418 0.118 4 0 "[ . 1 . ]" 3
54 1 58 VAL O 1 62 PHE N 2.800 2.800 3.300 3.174 2.902 3.341 0.041 2 0 "[ . 1 . ]" 3
55 1 59 GLY O 1 63 GLN H 1.800 . 2.300 1.903 1.775 2.381 0.081 4 0 "[ . 1 . ]" 3
56 1 59 GLY O 1 63 GLN N 2.800 2.800 3.300 2.762 2.656 3.264 0.144 8 0 "[ . 1 . ]" 3
57 1 60 ASP O 1 64 ASP H 1.800 . 2.300 2.069 1.879 2.399 0.099 5 0 "[ . 1 . ]" 3
58 1 60 ASP O 1 64 ASP N 2.800 2.800 3.300 2.953 2.740 3.308 0.060 13 0 "[ . 1 . ]" 3
59 1 61 CYS O 1 65 TYR H 1.800 . 2.300 2.362 2.223 2.412 0.112 11 0 "[ . 1 . ]" 3
60 1 61 CYS O 1 65 TYR N 2.800 2.800 3.300 3.336 3.198 3.387 0.087 11 0 "[ . 1 . ]" 3
61 1 62 PHE O 1 66 TYR H 1.800 . 2.300 1.817 1.718 1.921 0.082 9 0 "[ . 1 . ]" 3
62 1 62 PHE O 1 66 TYR N 2.800 2.800 3.300 2.693 2.589 2.796 0.211 7 0 "[ . 1 . ]" 3
63 1 63 GLN O 1 67 ASN H 1.800 . 2.300 1.970 1.797 2.279 0.003 2 0 "[ . 1 . ]" 3
64 1 63 GLN O 1 67 ASN N 2.800 2.800 3.300 2.874 2.734 3.128 0.066 6 0 "[ . 1 . ]" 3
65 1 64 ASP O 1 68 THR H 1.800 . 2.300 2.387 2.277 2.546 0.246 4 0 "[ . 1 . ]" 3
66 1 64 ASP O 1 68 THR N 2.800 2.800 3.300 3.306 3.206 3.375 0.075 4 0 "[ . 1 . ]" 3
67 1 78 ALA O 1 82 TRP H 1.800 . 2.300 2.364 2.170 2.454 0.154 13 0 "[ . 1 . ]" 3
68 1 78 ALA O 1 82 TRP N 2.800 2.800 3.300 3.321 3.134 3.399 0.099 13 0 "[ . 1 . ]" 3
69 1 79 PHE O 1 83 ASN H 1.800 . 2.300 2.055 1.869 2.209 . 0 0 "[ . 1 . ]" 3
70 1 79 PHE O 1 83 ASN N 2.800 2.800 3.300 2.966 2.782 3.117 0.018 10 0 "[ . 1 . ]" 3
71 1 80 SER O 1 84 LEU H 1.800 . 2.300 2.142 2.000 2.357 0.057 5 0 "[ . 1 . ]" 3
72 1 80 SER O 1 84 LEU N 2.800 2.800 3.300 3.077 2.927 3.292 . 0 0 "[ . 1 . ]" 3
73 1 81 TYR O 1 85 ILE H 1.800 . 2.300 1.797 1.745 1.832 0.055 15 0 "[ . 1 . ]" 3
74 1 81 TYR O 1 85 ILE N 2.800 2.800 3.300 2.740 2.684 2.785 0.116 15 0 "[ . 1 . ]" 3
75 1 82 TRP O 1 86 LYS H 1.800 . 2.300 2.001 1.928 2.055 . 0 0 "[ . 1 . ]" 3
76 1 82 TRP O 1 86 LYS N 2.800 2.800 3.300 2.706 2.643 2.756 0.157 9 0 "[ . 1 . ]" 3
77 1 83 ASN O 1 87 GLU H 1.800 . 2.300 2.417 2.359 2.461 0.161 5 0 "[ . 1 . ]" 3
78 1 83 ASN O 1 87 GLU N 2.800 2.800 3.300 3.352 3.299 3.410 0.110 5 0 "[ . 1 . ]" 3
79 1 84 LEU O 1 88 LEU H 1.800 . 2.300 1.850 1.793 1.940 0.007 6 0 "[ . 1 . ]" 3
80 1 84 LEU O 1 88 LEU N 2.800 2.800 3.300 2.693 2.643 2.738 0.157 6 0 "[ . 1 . ]" 3
81 1 85 ILE O 1 89 ILE H 1.800 . 2.300 2.416 2.329 2.495 0.195 11 0 "[ . 1 . ]" 3
82 1 85 ILE O 1 89 ILE N 2.800 2.800 3.300 3.358 3.263 3.437 0.137 14 0 "[ . 1 . ]" 3
83 1 97 GLN O 1 101 ALA H 1.800 . 2.300 2.121 1.874 2.361 0.061 13 0 "[ . 1 . ]" 3
84 1 97 GLN O 1 101 ALA N 2.800 2.800 3.300 2.856 2.707 3.095 0.093 5 0 "[ . 1 . ]" 3
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