NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618189 |
5xk4   |
36081 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xk4
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 363
_Distance_constraint_stats_list.Viol_count 2233
_Distance_constraint_stats_list.Viol_total 9922.118
_Distance_constraint_stats_list.Viol_max 0.499
_Distance_constraint_stats_list.Viol_rms 0.0786
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0304
_Distance_constraint_stats_list.Viol_average_violations_only 0.1481
_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 2 GLN 0.149 0.081 1 0 "[ . 1 . 2 . 3]"
1 3 ILE 20.493 0.396 11 0 "[ . 1 . 2 . 3]"
1 4 PHE 20.130 0.396 11 0 "[ . 1 . 2 . 3]"
1 5 VAL 10.111 0.173 27 0 "[ . 1 . 2 . 3]"
1 6 LYS 5.112 0.193 5 0 "[ . 1 . 2 . 3]"
1 7 THR 8.158 0.318 2 0 "[ . 1 . 2 . 3]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 12 THR 7.714 0.276 21 0 "[ . 1 . 2 . 3]"
1 13 ILE 10.933 0.318 2 0 "[ . 1 . 2 . 3]"
1 14 THR 2.168 0.134 13 0 "[ . 1 . 2 . 3]"
1 15 LEU 7.236 0.283 2 0 "[ . 1 . 2 . 3]"
1 16 GLU 3.355 0.121 15 0 "[ . 1 . 2 . 3]"
1 17 VAL 35.322 0.499 15 0 "[ . 1 . 2 . 3]"
1 18 GLU 23.539 0.499 15 0 "[ . 1 . 2 . 3]"
1 19 PRO 4.038 0.199 30 0 "[ . 1 . 2 . 3]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 ASP 8.877 0.424 14 0 "[ . 1 . 2 . 3]"
1 22 THR 4.172 0.424 14 0 "[ . 1 . 2 . 3]"
1 23 ILE 0.585 0.328 15 0 "[ . 1 . 2 . 3]"
1 24 GLU 4.677 0.162 26 0 "[ . 1 . 2 . 3]"
1 25 ASN 3.591 0.162 26 0 "[ . 1 . 2 . 3]"
1 26 VAL 13.973 0.471 10 0 "[ . 1 . 2 . 3]"
1 27 LYS 18.275 0.471 10 0 "[ . 1 . 2 . 3]"
1 28 ALA 0.287 0.079 30 0 "[ . 1 . 2 . 3]"
1 29 LYS 14.168 0.290 12 0 "[ . 1 . 2 . 3]"
1 30 ILE 15.680 0.391 10 0 "[ . 1 . 2 . 3]"
1 31 GLN 0.916 0.149 7 0 "[ . 1 . 2 . 3]"
1 32 ASP 0.026 0.016 23 0 "[ . 1 . 2 . 3]"
1 33 LYS 11.196 0.277 17 0 "[ . 1 . 2 . 3]"
1 34 GLU 1.340 0.460 7 0 "[ . 1 . 2 . 3]"
1 35 GLY 1.996 0.138 28 0 "[ . 1 . 2 . 3]"
1 36 ILE 16.816 0.460 7 0 "[ . 1 . 2 . 3]"
1 39 ASP 3.323 0.170 1 0 "[ . 1 . 2 . 3]"
1 40 GLN 6.737 0.309 10 0 "[ . 1 . 2 . 3]"
1 41 GLN 3.325 0.295 14 0 "[ . 1 . 2 . 3]"
1 42 ARG 6.680 0.293 12 0 "[ . 1 . 2 . 3]"
1 43 LEU 15.153 0.410 7 0 "[ . 1 . 2 . 3]"
1 44 ILE 11.312 0.410 7 0 "[ . 1 . 2 . 3]"
1 45 PHE 7.036 0.273 12 0 "[ . 1 . 2 . 3]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 LYS 11.270 0.498 8 0 "[ . 1 . 2 . 3]"
1 49 GLN 5.569 0.250 18 0 "[ . 1 . 2 . 3]"
1 50 LEU 10.047 0.207 1 0 "[ . 1 . 2 . 3]"
1 51 GLU 13.280 0.359 23 0 "[ . 1 . 2 . 3]"
1 52 ASP 1.283 0.090 23 0 "[ . 1 . 2 . 3]"
1 54 ARG 2.440 0.161 24 0 "[ . 1 . 2 . 3]"
1 55 THR 4.962 0.161 24 0 "[ . 1 . 2 . 3]"
1 56 LEU 25.319 0.398 3 0 "[ . 1 . 2 . 3]"
1 57 SER 2.852 0.135 26 0 "[ . 1 . 2 . 3]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 TYR 9.559 0.235 19 0 "[ . 1 . 2 . 3]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 ILE 10.256 0.303 21 0 "[ . 1 . 2 . 3]"
1 62 GLN 5.145 0.303 21 0 "[ . 1 . 2 . 3]"
1 63 LYS 0.963 0.233 25 0 "[ . 1 . 2 . 3]"
1 64 GLU 1.031 0.100 24 0 "[ . 1 . 2 . 3]"
1 66 THR 6.826 0.285 24 0 "[ . 1 . 2 . 3]"
1 67 LEU 4.207 0.278 1 0 "[ . 1 . 2 . 3]"
1 68 HIS 0.030 0.011 10 0 "[ . 1 . 2 . 3]"
1 69 LEU 14.745 0.436 24 0 "[ . 1 . 2 . 3]"
1 70 VAL 22.413 0.436 24 0 "[ . 1 . 2 . 3]"
1 71 LEU 8.963 0.223 25 0 "[ . 1 . 2 . 3]"
1 72 ARG 2.389 0.293 12 0 "[ . 1 . 2 . 3]"
1 73 LEU 1.574 0.226 20 0 "[ . 1 . 2 . 3]"
1 74 ARG 1.574 0.226 20 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 50 LEU HA 1 50 LEU MD1 2.509 . 3.296 2.526 2.052 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 48 LYS HB2 1 50 LEU MD1 2.880 . 3.917 3.910 3.696 4.076 0.159 3 0 "[ . 1 . 2 . 3]" 1
3 1 50 LEU MD1 1 50 LEU MD2 2.880 2.047 3.707 2.038 2.015 2.075 0.032 6 0 "[ . 1 . 2 . 3]" 1
4 1 50 LEU HB2 1 50 LEU MD1 2.880 . 3.244 2.357 2.257 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 45 PHE HB2 1 50 LEU MD1 2.533 . 3.335 2.423 2.265 3.493 0.158 1 0 "[ . 1 . 2 . 3]" 1
6 1 45 PHE QD 1 50 LEU MD1 2.880 . 3.917 3.834 3.609 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 50 LEU MD1 1 59 TYR QE 3.280 2.243 4.317 3.586 2.513 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 50 LEU H 1 50 LEU MD1 3.093 . 4.181 1.856 1.767 3.438 0.131 22 0 "[ . 1 . 2 . 3]" 1
9 1 50 LEU MD1 1 51 GLU H 3.331 . 4.718 4.357 3.203 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 17 VAL HB 1 17 VAL MG1 2.357 2.223 3.052 2.150 2.142 2.155 0.081 8 0 "[ . 1 . 2 . 3]" 1
11 1 17 VAL MG1 1 56 LEU MD2 2.357 . 3.052 2.175 1.993 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 15 LEU HB3 1 17 VAL MG1 2.795 . 3.771 3.470 3.075 3.785 0.014 29 0 "[ . 1 . 2 . 3]" 1
13 1 17 VAL HA 1 17 VAL MG1 2.795 . 3.771 3.213 3.196 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 16 GLU HA 1 17 VAL MG1 3.505 2.529 4.085 3.636 3.445 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 17 VAL H 1 17 VAL MG1 . 2.529 3.402 2.424 2.330 2.480 0.199 5 0 "[ . 1 . 2 . 3]" 1
16 1 44 ILE HA 1 44 ILE MG 2.276 . 2.923 2.303 2.249 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 36 ILE HA 1 36 ILE MD 2.553 . 3.368 3.686 2.199 3.773 0.405 10 0 "[ . 1 . 2 . 3]" 1
18 1 36 ILE HB 1 36 ILE MD 2.553 . 3.368 2.373 2.285 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 13 ILE HB 1 13 ILE MG 2.162 . 2.746 2.145 2.139 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 30 ILE HA 1 30 ILE MG . 2.334 2.515 2.442 2.318 2.466 0.016 8 0 "[ . 1 . 2 . 3]" 1
21 1 30 ILE MG 1 31 GLN HA 2.797 . 3.725 3.279 3.230 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 5 VAL HB 1 5 VAL MG1 . 2.303 2.708 2.158 2.154 2.162 0.149 16 0 "[ . 1 . 2 . 3]" 1
23 1 70 VAL HB 1 70 VAL MG1 2.258 . 2.895 2.146 2.142 2.150 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 4 PHE HB3 1 12 THR MG . 3.195 3.334 3.043 2.919 3.223 0.276 21 0 "[ . 1 . 2 . 3]" 1
25 1 17 VAL HB 1 17 VAL MG2 . 2.341 2.952 2.127 2.119 2.138 0.222 23 0 "[ . 1 . 2 . 3]" 1
26 1 26 VAL HB 1 26 VAL MG1 1.978 . 2.467 2.151 2.143 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 12 THR HB 1 12 THR MG 2.449 . 3.199 2.148 2.144 2.153 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 66 THR MG 1 67 LEU H 2.600 2.100 3.100 3.132 1.822 3.315 0.278 1 0 "[ . 1 . 2 . 3]" 1
29 1 5 VAL H 1 12 THR MG 2.577 . 3.407 3.510 3.384 3.580 0.173 27 0 "[ . 1 . 2 . 3]" 1
30 1 7 THR H 1 7 THR MG 2.316 2.218 2.987 2.120 2.039 2.175 0.179 2 0 "[ . 1 . 2 . 3]" 1
31 1 26 VAL MG2 1 27 LYS H 2.596 . 3.438 3.872 3.823 3.909 0.471 10 0 "[ . 1 . 2 . 3]" 1
32 1 7 THR HA 1 7 THR MG 2.084 . 2.540 2.363 2.320 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 55 THR HA 1 55 THR MG 2.399 . 3.118 2.294 2.238 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 66 THR HA 1 66 THR MG 2.500 . 3.219 2.381 2.170 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 17 VAL HA 1 17 VAL MG2 2.374 2.230 2.827 2.378 2.275 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 15 LEU MD1 1 30 ILE HA 3.074 2.370 3.778 3.351 3.175 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 24 GLU HA 1 24 GLU HB2 2.288 . 2.942 2.972 2.561 3.022 0.080 26 0 "[ . 1 . 2 . 3]" 1
38 1 23 ILE HG13 1 59 TYR QE 3.190 . 4.462 3.576 3.061 4.477 0.015 15 0 "[ . 1 . 2 . 3]" 1
39 1 23 ILE HG12 1 59 TYR QE 3.121 . 4.338 4.190 3.711 4.399 0.061 11 0 "[ . 1 . 2 . 3]" 1
40 1 56 LEU MD1 1 56 LEU MD2 . 2.346 2.867 2.084 2.071 2.093 0.275 27 0 "[ . 1 . 2 . 3]" 1
41 1 40 GLN H 1 40 GLN HB2 2.683 . 3.583 2.387 2.320 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 26 VAL HB 1 26 VAL MG2 2.218 . 2.737 2.129 2.126 2.133 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 68 HIS H 1 68 HIS HB2 3.183 . 4.450 2.912 2.278 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 26 VAL HB 1 27 LYS H 2.651 . 3.408 2.908 2.843 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 34 GLU HB2 1 36 ILE MD . 2.238 2.807 2.700 2.409 3.267 0.460 7 0 "[ . 1 . 2 . 3]" 1
46 1 54 ARG H 1 54 ARG HB2 2.803 . 3.785 2.405 2.308 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 27 LYS H 1 27 LYS HB2 2.535 . 3.224 2.385 2.302 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 34 GLU H 1 34 GLU HB2 2.594 . 3.435 2.576 2.438 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 40 GLN H 1 40 GLN HG2 2.589 . 3.427 3.024 2.469 3.736 0.309 10 0 "[ . 1 . 2 . 3]" 1
50 1 6 LYS HB3 1 70 VAL HA 2.589 . 3.427 2.542 2.326 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 29 LYS HA 1 29 LYS HB2 2.540 . 3.347 3.004 2.999 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 41 GLN HB2 1 41 GLN HG2 2.441 . 3.186 3.025 3.005 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 19 PRO HB2 1 19 PRO HG2 1.960 . 2.440 2.320 2.313 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 41 GLN HA 1 41 GLN HG2 2.846 . 3.858 3.089 2.319 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 34 GLU HB2 1 36 ILE H 3.116 . 4.220 2.911 2.701 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 54 ARG HB3 1 59 TYR QE 3.800 2.600 5.000 2.704 2.516 3.086 0.084 11 0 "[ . 1 . 2 . 3]" 1
57 1 64 GLU H 1 64 GLU HG2 2.475 . 3.241 2.792 1.861 3.341 0.100 24 0 "[ . 1 . 2 . 3]" 1
58 1 17 VAL HB 1 18 GLU H 2.396 2.227 3.056 3.520 3.450 3.555 0.499 15 0 "[ . 1 . 2 . 3]" 1
59 1 25 ASN H 1 25 ASN HB2 2.533 . 3.221 2.537 2.444 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 25 ASN H 1 25 ASN HB3 2.562 . 3.263 2.657 2.529 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 30 ILE MG 1 34 GLU HB3 3.562 2.742 4.382 4.164 3.830 4.514 0.132 9 0 "[ . 1 . 2 . 3]" 1
62 1 59 TYR H 1 59 TYR HB3 2.634 . 3.501 3.567 3.543 3.582 0.081 22 0 "[ . 1 . 2 . 3]" 1
63 1 44 ILE H 1 44 ILE HB 2.799 . 3.470 2.616 2.362 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 59 TYR H 1 59 TYR HB2 2.614 . 3.468 2.304 2.244 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 21 ASP HB2 1 56 LEU MD1 2.845 . 3.857 3.400 2.750 3.867 0.010 9 0 "[ . 1 . 2 . 3]" 1
66 1 21 ASP HB3 1 22 THR H 2.497 . 3.277 3.171 2.781 3.701 0.424 14 0 "[ . 1 . 2 . 3]" 1
67 1 3 ILE H 1 3 ILE HB 2.791 . 3.765 3.814 3.323 3.904 0.139 6 0 "[ . 1 . 2 . 3]" 1
68 1 59 TYR HA 1 59 TYR HB3 2.899 . 3.950 2.548 2.517 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 3 ILE HB 1 3 ILE MD 2.335 . 3.017 2.273 2.214 3.205 0.188 2 0 "[ . 1 . 2 . 3]" 1
70 1 3 ILE HA 1 3 ILE HB 2.904 . 3.958 2.451 2.404 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 56 LEU H 1 56 LEU HB3 2.917 . 3.981 3.556 3.531 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 35 GLY HA2 1 36 ILE H . . 3.023 3.086 2.970 3.161 0.138 28 0 "[ . 1 . 2 . 3]" 1
73 1 35 GLY HA3 1 36 ILE H 3.098 . 3.651 3.489 3.431 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 46 ALA HA 1 46 ALA MB 2.436 . 2.903 2.138 2.132 2.143 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 50 LEU HA 1 50 LEU HB2 2.740 . 3.551 3.007 2.999 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 6 LYS HA 1 6 LYS HB2 2.584 . 3.418 2.558 2.454 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 48 LYS HA 1 48 LYS HB2 2.128 . 2.694 3.002 2.955 3.007 0.313 21 0 "[ . 1 . 2 . 3]" 1
78 1 48 LYS HA 1 48 LYS HG2 2.341 . 3.026 2.575 2.366 3.524 0.498 8 0 "[ . 1 . 2 . 3]" 1
79 1 60 ASN HA 1 60 ASN HB2 2.715 2.300 3.300 2.533 2.437 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 60 ASN H 1 60 ASN HA 2.494 . 3.271 2.899 2.861 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 69 LEU HA 1 70 VAL H 2.542 . 2.800 2.186 2.162 2.219 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 6 LYS HA 1 7 THR H 2.294 2.186 2.927 2.183 2.159 2.195 0.027 4 0 "[ . 1 . 2 . 3]" 1
83 1 43 LEU HA 1 44 ILE H 2.138 2.068 2.710 2.098 2.086 2.110 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 71 LEU HA 1 72 ARG H 2.339 . 2.969 2.116 2.075 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 54 ARG HA 1 55 THR H 2.526 . 3.210 2.444 2.410 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 50 LEU HA 1 51 GLU H 2.576 . 3.210 2.162 2.105 2.185 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 2 GLN HA 1 16 GLU HG3 3.267 2.091 4.443 4.096 3.299 4.524 0.081 1 0 "[ . 1 . 2 . 3]" 1
88 1 60 ASN HA 1 60 ASN HB3 2.742 . 3.682 2.975 2.495 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 28 ALA HA 1 28 ALA MB 2.056 . 2.498 2.136 2.131 2.142 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 68 HIS HA 1 69 LEU H 2.408 2.100 2.900 2.134 2.116 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 68 HIS H 1 68 HIS HA 2.770 . 3.729 2.918 2.901 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 4 PHE HA 1 5 VAL H 2.465 2.092 3.048 2.208 2.198 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 2 GLN HA 1 3 ILE H 2.315 2.023 2.983 2.207 2.121 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 39 ASP H 1 39 ASP HA 2.705 . 3.494 2.838 2.792 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 25 ASN H 1 25 ASN HA 2.337 . 3.020 2.889 2.880 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 21 ASP H 1 21 ASP HA 2.201 . 2.806 2.790 2.729 2.882 0.076 4 0 "[ . 1 . 2 . 3]" 1
97 1 68 HIS HA 1 68 HIS HB3 2.704 . 3.618 2.596 2.429 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 4 PHE HB2 1 68 HIS HA 2.704 2.338 3.618 2.420 2.327 2.691 0.011 10 0 "[ . 1 . 2 . 3]" 1
99 1 45 PHE HA 1 45 PHE HB3 2.388 . 3.101 3.025 3.018 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 4 PHE HA 1 4 PHE HB2 2.765 . 3.721 3.022 3.011 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 25 ASN HA 1 28 ALA MB 2.162 . 2.654 2.553 2.401 2.666 0.012 9 0 "[ . 1 . 2 . 3]" 1
102 1 21 ASP HA 1 21 ASP HB2 2.484 . 3.247 2.839 2.533 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 21 ASP HA 1 21 ASP HB3 2.549 . 3.144 2.776 2.570 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 49 GLN HA 1 49 GLN HG2 2.238 . 2.768 2.584 2.368 2.860 0.092 30 0 "[ . 1 . 2 . 3]" 1
105 1 59 TYR H 1 59 TYR HA 2.446 . 3.194 2.913 2.898 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 56 LEU HA 1 56 LEU HB2 2.503 . 3.286 3.015 3.001 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 5 VAL HA 1 6 LYS H 2.371 2.124 2.924 2.081 2.061 2.168 0.063 26 0 "[ . 1 . 2 . 3]" 1
108 1 70 VAL HA 1 71 LEU H 2.483 . 3.253 2.129 2.105 2.140 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 13 ILE HA 1 14 THR H 2.432 . 2.978 2.143 2.119 2.167 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 24 GLU HA 1 27 LYS H 2.862 2.315 3.886 3.679 3.627 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 24 GLU HA 1 25 ASN H 2.891 . 3.799 3.445 3.417 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 29 LYS HA 1 29 LYS HD2 3.500 2.700 4.300 4.413 4.393 4.445 0.145 21 0 "[ . 1 . 2 . 3]" 1
113 1 17 VAL HA 1 17 VAL HB 2.269 . 2.814 2.407 2.329 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 13 ILE HA 1 13 ILE MD 3.200 2.400 4.000 3.878 3.766 4.126 0.126 9 0 "[ . 1 . 2 . 3]" 1
115 1 66 THR HA 1 67 LEU H 2.439 2.253 2.882 2.641 2.597 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 12 THR HA 1 13 ILE H 2.439 . 2.818 2.163 2.150 2.170 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 12 THR HA 1 12 THR MG 2.852 2.164 3.554 2.320 2.259 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 70 VAL HA 1 70 VAL MG1 2.426 . 3.162 2.410 2.366 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 7 THR H 1 12 THR HA 3.072 . 4.252 3.137 2.870 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 30 ILE HA 1 30 ILE HB 2.957 . 3.647 3.021 3.018 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 26 VAL HA 1 26 VAL MG1 2.355 . 3.048 2.333 2.268 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 26 VAL HA 1 26 VAL MG2 2.248 . 2.880 2.269 2.243 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 19 PRO HA 1 56 LEU MD1 2.764 . 3.719 3.854 3.730 3.918 0.199 30 0 "[ . 1 . 2 . 3]" 1
124 1 19 PRO HA 1 19 PRO HB2 2.347 . 3.035 2.778 2.732 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 26 VAL H 1 26 VAL HA 2.622 . 3.481 2.747 2.730 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 30 ILE HA 1 33 LYS H 3.070 . 4.248 3.629 3.549 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 26 VAL HA 1 27 LYS H 3.190 . 4.462 3.443 3.419 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 66 THR HB 1 66 THR MG 2.496 . 3.275 2.140 2.135 2.145 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 22 THR HA 1 22 THR HB 2.846 . 3.859 2.460 2.397 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 14 THR H 1 14 THR HB 2.846 . 3.859 2.638 2.500 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 22 THR H 1 22 THR HB 3.161 . 4.036 3.610 2.974 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 22 THR HB 1 22 THR MG . . 2.523 2.145 2.143 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 16 GLU HA 1 16 GLU HG2 3.192 . 4.465 2.922 2.394 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 49 GLN HA 1 50 LEU MD1 3.884 . 5.924 2.941 2.820 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 15 LEU HA 1 15 LEU HB2 2.884 . 3.787 2.803 2.770 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 15 LEU HA 1 15 LEU HB3 2.818 . 3.677 2.949 2.916 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 71 LEU HB2 1 71 LEU MD2 2.270 . 2.914 2.492 2.295 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 5 VAL MG2 1 15 LEU HB2 3.273 2.627 3.919 2.644 2.532 2.972 0.095 6 0 "[ . 1 . 2 . 3]" 1
139 1 43 LEU HB2 1 43 LEU MD2 2.800 2.150 3.450 3.189 3.179 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 5 VAL MG2 1 15 LEU HB3 3.418 2.687 4.149 3.648 3.495 4.183 0.034 2 0 "[ . 1 . 2 . 3]" 1
141 1 43 LEU HB3 1 44 ILE H 2.821 . 3.831 3.509 3.372 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 43 LEU HB2 1 44 ILE H 3.193 . 4.468 4.215 4.163 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 31 GLN HA 1 36 ILE H 3.193 2.548 3.756 2.630 2.399 2.863 0.149 7 0 "[ . 1 . 2 . 3]" 1
144 1 48 LYS HB2 1 59 TYR QE 3.800 2.617 4.983 3.609 3.021 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 69 LEU HA 1 69 LEU MD1 2.624 . 3.485 2.147 2.083 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 69 LEU H 1 69 LEU HA 2.779 . 3.744 2.956 2.935 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 39 ASP HA 1 40 GLN H 2.794 . 3.374 3.485 3.424 3.544 0.170 1 0 "[ . 1 . 2 . 3]" 1
148 1 56 LEU HA 1 59 TYR H 3.294 2.318 4.270 3.077 3.028 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 56 LEU H 1 56 LEU HA 2.794 . 3.770 2.813 2.799 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 36 ILE HA 1 36 ILE HB 2.492 2.210 3.157 3.011 3.004 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 33 LYS HA 1 33 LYS HB2 2.147 . 2.723 2.999 2.997 3.000 0.277 17 0 "[ . 1 . 2 . 3]" 1
152 1 49 GLN HA 1 49 GLN HB2 2.221 . 2.743 2.819 2.509 2.993 0.250 18 0 "[ . 1 . 2 . 3]" 1
153 1 28 ALA HA 1 32 ASP H 3.221 2.404 4.038 3.859 3.593 4.054 0.016 23 0 "[ . 1 . 2 . 3]" 1
154 1 33 LYS HA 1 34 GLU H 2.983 . 3.952 3.584 3.562 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 21 ASP H 1 21 ASP HB2 2.575 . 3.211 2.305 2.037 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 15 LEU HA 1 15 LEU MD1 2.228 . 2.848 2.246 2.223 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 50 LEU H 1 50 LEU HB2 3.104 . 4.087 2.315 2.260 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 69 LEU MD1 1 70 VAL HA 2.747 . 3.690 3.900 3.416 4.126 0.436 24 0 "[ . 1 . 2 . 3]" 1
159 1 30 ILE H 1 30 ILE MG 2.666 . 3.315 3.702 3.694 3.706 0.391 10 0 "[ . 1 . 2 . 3]" 1
160 1 7 THR MG 1 13 ILE H 2.577 2.236 3.407 3.576 3.481 3.725 0.318 2 0 "[ . 1 . 2 . 3]" 1
161 1 23 ILE H 1 23 ILE HG13 2.940 . 4.020 3.566 3.501 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 50 LEU HA 1 50 LEU MD2 2.877 2.655 3.707 3.700 2.746 3.767 0.060 8 0 "[ . 1 . 2 . 3]" 1
163 1 3 ILE HG13 1 17 VAL MG1 3.277 2.447 4.107 3.896 2.656 4.121 0.014 26 0 "[ . 1 . 2 . 3]" 1
164 1 36 ILE H 1 36 ILE MD 3.277 2.447 3.554 3.623 2.882 3.726 0.172 17 0 "[ . 1 . 2 . 3]" 1
165 1 34 GLU HB3 1 36 ILE MD 3.053 2.238 3.868 2.421 2.232 2.615 0.006 7 0 "[ . 1 . 2 . 3]" 1
166 1 36 ILE MD 1 36 ILE HG13 2.853 2.038 3.668 2.133 2.123 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 12 THR MG 1 13 ILE H 3.053 2.238 3.600 2.726 2.624 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 5 VAL HB 1 15 LEU MD1 3.053 2.238 3.868 3.457 2.962 3.877 0.009 5 0 "[ . 1 . 2 . 3]" 1
169 1 15 LEU MD1 1 29 LYS HD2 3.553 2.338 4.768 4.862 4.726 4.915 0.147 16 0 "[ . 1 . 2 . 3]" 1
170 1 15 LEU MD1 1 33 LYS HD3 3.553 2.338 4.768 3.152 2.796 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 15 LEU HB3 1 15 LEU MD1 . 2.338 3.542 3.177 3.170 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 7 THR MG 1 11 LYS HB3 3.553 2.338 4.768 3.543 2.552 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 44 ILE HB 1 70 VAL H 3.500 2.700 4.300 3.988 3.682 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 3 ILE H 1 15 LEU HB2 3.553 2.338 4.768 4.392 3.998 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 15 LEU MD1 1 16 GLU H 3.553 2.338 3.800 3.860 3.800 3.908 0.108 26 0 "[ . 1 . 2 . 3]" 1
176 1 31 GLN HA 1 41 GLN HE22 3.553 2.338 4.768 3.757 2.896 4.888 0.120 24 0 "[ . 1 . 2 . 3]" 1
177 1 13 ILE MD 1 30 ILE HA 3.553 2.338 4.768 4.707 4.199 4.883 0.115 3 0 "[ . 1 . 2 . 3]" 1
178 1 13 ILE QG 1 33 LYS HD3 3.553 2.738 4.368 4.383 4.099 4.507 0.139 18 0 "[ . 1 . 2 . 3]" 1
179 1 66 THR HA 1 66 THR HB 3.553 2.738 4.368 2.669 2.453 3.028 0.285 24 0 "[ . 1 . 2 . 3]" 1
180 1 3 ILE HA 1 4 PHE H 2.853 2.338 2.980 2.224 2.152 2.260 0.186 2 0 "[ . 1 . 2 . 3]" 1
181 1 44 ILE H 1 70 VAL HB 3.553 3.038 4.068 3.837 3.508 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 70 VAL H 1 70 VAL HB 2.853 2.338 3.368 2.427 2.392 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 6 LYS HB3 1 6 LYS HG3 2.853 2.338 3.368 3.028 3.025 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 6 LYS H 1 70 VAL HA 3.053 2.538 3.568 3.380 3.164 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 56 LEU HA 1 59 TYR HB2 3.500 2.300 4.700 2.426 2.374 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 56 LEU HA 1 59 TYR HB3 3.200 2.400 4.000 4.098 4.016 4.166 0.166 2 0 "[ . 1 . 2 . 3]" 1
187 1 58 ASP HA 1 58 ASP HB2 2.800 2.300 3.300 2.807 2.461 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 3 ILE H 1 15 LEU HB3 3.518 2.223 4.813 3.675 3.444 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 3 ILE H 1 3 ILE MD 3.099 . 3.821 3.869 2.414 4.042 0.221 20 0 "[ . 1 . 2 . 3]" 1
190 1 4 PHE H 1 4 PHE HB2 2.972 . 3.956 2.386 2.299 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 3 ILE MD 1 4 PHE H 3.036 2.837 4.188 4.524 4.459 4.584 0.396 11 0 "[ . 1 . 2 . 3]" 1
192 1 6 LYS H 1 6 LYS HB2 2.854 . 3.872 2.532 2.404 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 6 LYS H 1 69 LEU HB3 3.812 2.522 5.102 3.617 3.227 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 5 VAL MG1 1 6 LYS H 3.079 . 4.264 2.839 2.266 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 6 LYS HG3 1 7 THR H 3.115 . 4.328 3.793 3.572 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 11 LYS H 1 11 LYS HB2 3.696 . 5.404 2.487 2.259 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 67 LEU H 1 67 LEU HB2 3.119 . 4.335 2.520 2.196 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 13 ILE HB 1 14 THR H 3.098 . 4.167 3.961 3.074 4.301 0.134 13 0 "[ . 1 . 2 . 3]" 1
199 1 14 THR H 1 14 THR MG 3.029 2.502 4.008 3.715 2.809 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 14 THR HA 1 15 LEU H 2.429 . 2.876 2.180 2.160 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 15 LEU H 1 15 LEU HA 2.654 . 3.534 2.964 2.961 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 15 LEU H 1 15 LEU HB2 2.570 . 3.165 2.525 2.465 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 15 LEU HA 1 16 GLU H 2.596 . 2.897 2.170 2.157 2.199 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 16 GLU H 1 16 GLU HB2 2.827 . 3.826 2.659 2.386 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 15 LEU HB3 1 16 GLU H 3.097 . 3.690 3.721 3.573 3.811 0.121 15 0 "[ . 1 . 2 . 3]" 1
206 1 16 GLU HA 1 17 VAL H 2.614 . 3.104 2.175 2.166 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 17 VAL H 1 17 VAL MG2 3.125 . 4.096 3.973 3.849 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 17 VAL HA 1 18 GLU H 2.850 . 3.865 2.403 2.302 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 18 GLU H 1 18 GLU HB2 2.995 . 3.255 2.562 2.387 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 17 VAL MG2 1 18 GLU H 3.221 . 3.320 1.604 1.565 1.677 0.359 11 0 "[ . 1 . 2 . 3]" 1
211 1 20 SER H 1 20 SER HB2 3.174 . 4.433 3.111 2.419 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 18 GLU HB2 1 20 SER H 2.951 . 4.040 3.265 2.836 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 18 GLU HB3 1 20 SER H 3.470 . 4.200 2.750 2.535 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 21 ASP H 1 21 ASP HB3 2.618 . 3.272 3.202 2.640 3.527 0.255 7 0 "[ . 1 . 2 . 3]" 1
215 1 21 ASP H 1 56 LEU MD1 3.548 2.147 4.949 3.699 3.251 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 21 ASP HA 1 22 THR H 2.563 . 3.070 2.264 2.200 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 22 THR H 1 25 ASN HB3 3.149 2.041 3.679 3.419 3.118 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 21 ASP HB2 1 22 THR H 3.215 . 4.139 4.094 4.013 4.231 0.092 29 0 "[ . 1 . 2 . 3]" 1
219 1 22 THR H 1 25 ASN HB2 3.252 . 4.574 3.018 2.839 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 23 ILE H 1 24 GLU HG2 2.834 . 3.838 3.665 3.442 3.865 0.027 26 0 "[ . 1 . 2 . 3]" 1
221 1 23 ILE H 1 23 ILE HG12 2.645 . 3.519 2.068 1.933 3.847 0.328 15 0 "[ . 1 . 2 . 3]" 1
222 1 24 GLU HG2 1 25 ASN H 2.884 . 3.924 3.917 3.035 4.086 0.162 26 0 "[ . 1 . 2 . 3]" 1
223 1 24 GLU HB2 1 25 ASN H 2.708 . 3.624 3.036 2.836 3.783 0.159 25 0 "[ . 1 . 2 . 3]" 1
224 1 25 ASN H 1 26 VAL MG1 4.248 2.762 5.734 5.762 5.699 5.814 0.080 24 0 "[ . 1 . 2 . 3]" 1
225 1 48 LYS H 1 48 LYS HA 2.887 . 3.498 2.970 2.965 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 25 ASN HB2 1 26 VAL H 3.168 . 4.218 3.507 3.435 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 26 VAL H 1 26 VAL HB 2.673 . 3.064 2.586 2.542 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 48 LYS H 1 48 LYS HG2 2.924 . 3.993 3.842 2.744 4.408 0.415 8 0 "[ . 1 . 2 . 3]" 1
229 1 27 LYS H 1 27 LYS HG2 2.388 . 3.101 3.195 2.545 3.569 0.468 3 0 "[ . 1 . 2 . 3]" 1
230 1 27 LYS H 1 28 ALA H 2.931 . 4.005 2.534 2.497 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 27 LYS HA 1 28 ALA H 3.015 . 4.151 3.543 3.534 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 28 ALA H 1 28 ALA HA 2.932 . 3.149 2.765 2.754 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 27 LYS HB2 1 28 ALA H 2.897 . 3.946 2.363 2.298 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 28 ALA H 1 28 ALA MB 2.448 . 2.490 2.166 2.139 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 29 LYS H 1 29 LYS HA 2.922 . 3.693 2.865 2.853 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 29 LYS H 1 29 LYS HB2 2.645 . 3.275 2.295 2.263 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 29 LYS H 1 29 LYS HD2 2.555 . 3.371 3.616 3.557 3.661 0.290 12 0 "[ . 1 . 2 . 3]" 1
238 1 28 ALA MB 1 29 LYS H 2.624 . 3.153 2.669 2.586 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 29 LYS H 1 29 LYS HE2 3.441 . 4.921 4.734 4.536 5.082 0.161 10 0 "[ . 1 . 2 . 3]" 1
240 1 30 ILE H 1 30 ILE HB 3.234 . 3.387 2.376 2.346 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 30 ILE H 1 30 ILE MD 2.615 . 3.470 3.292 2.789 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 28 ALA HA 1 31 GLN H 2.959 2.159 3.759 3.746 3.680 3.838 0.079 30 0 "[ . 1 . 2 . 3]" 1
243 1 73 LEU HA 1 74 ARG H 2.800 . 3.800 2.214 2.157 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 31 GLN H 1 32 ASP H 2.925 . 3.800 2.883 2.807 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 32 ASP H 1 33 LYS H 3.044 . 3.635 2.910 2.884 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 31 GLN HA 1 32 ASP H 3.444 . 4.927 3.546 3.536 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 31 GLN HB2 1 32 ASP H 3.002 2.041 3.729 3.444 2.167 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 33 LYS H 1 33 LYS HD2 2.774 . 3.736 3.782 3.656 3.863 0.127 17 0 "[ . 1 . 2 . 3]" 1
249 1 33 LYS H 1 34 GLU H 2.673 . 3.323 2.629 2.566 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 34 GLU H 1 34 GLU HA 2.993 . 3.828 2.963 2.942 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 34 GLU H 1 34 GLU HG2 2.634 . 3.501 3.070 2.277 3.556 0.055 4 0 "[ . 1 . 2 . 3]" 1
252 1 35 GLY H 1 36 ILE H 2.834 . 3.378 2.871 2.840 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 34 GLU HA 1 35 GLY H 3.161 . 4.101 3.287 3.213 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 35 GLY H 1 35 GLY HA2 2.530 . 2.820 2.282 2.272 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 35 GLY H 1 35 GLY HA3 2.339 . 3.023 2.760 2.748 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 36 ILE H 1 36 ILE HA 2.786 . 3.498 2.913 2.878 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 36 ILE H 1 36 ILE HB 2.276 2.210 2.728 2.494 2.392 2.746 0.018 7 0 "[ . 1 . 2 . 3]" 1
258 1 40 GLN H 1 41 GLN H 2.551 . 3.342 2.470 2.378 2.525 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 39 ASP H 1 40 GLN H 3.298 . 4.657 2.582 2.365 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 40 GLN H 1 40 GLN HA 2.848 . 3.862 2.893 2.870 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 41 GLN H 1 41 GLN HG2 2.915 . 3.977 2.998 1.808 4.272 0.295 14 0 "[ . 1 . 2 . 3]" 1
262 1 41 GLN H 1 41 GLN HB2 2.644 . 3.518 3.024 2.296 3.744 0.226 18 0 "[ . 1 . 2 . 3]" 1
263 1 41 GLN HA 1 42 ARG H 2.647 . 3.102 2.194 2.143 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 42 ARG H 1 72 ARG HB3 3.247 2.371 4.123 3.928 2.721 4.416 0.293 12 0 "[ . 1 . 2 . 3]" 1
265 1 42 ARG H 1 72 ARG HB2 3.247 2.371 4.123 3.737 3.136 4.310 0.187 9 0 "[ . 1 . 2 . 3]" 1
266 1 42 ARG HA 1 43 LEU H 2.651 . 2.705 2.212 2.181 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 43 LEU H 1 43 LEU HB3 2.743 . 3.683 3.662 3.634 3.688 0.005 24 0 "[ . 1 . 2 . 3]" 1
268 1 43 LEU H 1 43 LEU MD2 3.400 . 4.080 2.940 2.728 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 43 LEU MD2 1 44 ILE H 3.538 2.459 4.617 3.699 3.606 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 45 PHE H 1 48 LYS H 3.551 . 4.559 2.800 2.724 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 44 ILE HA 1 45 PHE H 2.640 . 3.392 2.126 2.111 2.145 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 45 PHE H 1 45 PHE HB2 2.994 . 3.996 3.218 3.153 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 44 ILE MD 1 45 PHE H 2.938 . 4.017 3.749 3.558 4.208 0.191 18 0 "[ . 1 . 2 . 3]" 1
274 1 44 ILE MG 1 47 GLY H 3.578 2.151 4.342 2.781 2.556 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 46 ALA HA 1 47 GLY H 3.634 . 4.330 2.865 2.807 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 49 GLN HA 1 50 LEU H 2.557 . 3.115 2.170 2.156 2.192 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 49 GLN HG2 1 50 LEU H 3.189 . 4.151 3.625 2.616 4.221 0.070 21 0 "[ . 1 . 2 . 3]" 1
278 1 50 LEU H 1 50 LEU HB3 2.582 . 3.416 3.557 3.539 3.577 0.161 1 0 "[ . 1 . 2 . 3]" 1
279 1 50 LEU H 1 50 LEU MD2 3.284 . 4.518 3.623 1.729 3.774 0.207 1 0 "[ . 1 . 2 . 3]" 1
280 1 51 GLU H 1 51 GLU HB2 3.200 2.400 4.000 2.328 2.251 2.555 0.149 6 0 "[ . 1 . 2 . 3]" 1
281 1 51 GLU H 1 51 GLU HB3 3.200 2.200 4.200 2.721 2.441 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 51 GLU H 1 51 GLU HA 2.954 . 4.045 2.840 2.813 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 51 GLU H 1 51 GLU HG3 3.200 2.200 4.200 4.275 4.164 4.422 0.222 23 0 "[ . 1 . 2 . 3]" 1
284 1 51 GLU H 1 51 GLU HG2 3.200 2.200 4.200 4.446 4.368 4.559 0.359 23 0 "[ . 1 . 2 . 3]" 1
285 1 51 GLU HG3 1 52 ASP H 2.856 2.102 3.610 3.340 2.012 3.663 0.090 23 0 "[ . 1 . 2 . 3]" 1
286 1 54 ARG HB2 1 55 THR H 2.764 . 3.719 3.711 3.558 3.878 0.159 29 0 "[ . 1 . 2 . 3]" 1
287 1 55 THR H 1 55 THR MG 3.176 . 3.865 2.668 2.531 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 54 ARG HD2 1 55 THR H 3.294 . 4.650 4.126 3.248 4.811 0.161 24 0 "[ . 1 . 2 . 3]" 1
289 1 55 THR HB 1 56 LEU H 2.845 . 3.370 2.807 2.742 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 55 THR HA 1 56 LEU H 2.937 . 3.452 2.295 2.271 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 56 LEU H 1 56 LEU MD2 2.804 . 3.499 3.808 3.715 3.897 0.398 3 0 "[ . 1 . 2 . 3]" 1
292 1 56 LEU H 1 56 LEU HB2 3.035 . 3.656 2.316 2.249 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 56 LEU H 1 56 LEU MD1 3.154 . 3.812 1.872 1.801 1.983 0.109 17 0 "[ . 1 . 2 . 3]" 1
294 1 57 SER H 1 58 ASP H 3.447 . 4.933 2.933 2.888 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 57 SER H 1 57 SER HB2 2.834 . 3.838 2.759 2.384 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 55 THR HA 1 57 SER H 2.951 . 4.040 4.135 4.094 4.175 0.135 26 0 "[ . 1 . 2 . 3]" 1
297 1 56 LEU HB3 1 57 SER H 3.113 . 4.021 3.576 3.512 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 56 LEU H 1 58 ASP H 3.326 . 4.709 4.389 4.329 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 57 SER HB2 1 58 ASP H 3.465 . 4.965 3.607 2.623 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 58 ASP HA 1 59 TYR H 3.256 . 4.581 3.491 3.484 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 58 ASP HB3 1 59 TYR H 3.315 . 4.689 3.195 2.604 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 59 TYR HB2 1 60 ASN H 3.634 . 5.285 3.463 3.274 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 60 ASN H 1 60 ASN HB2 3.441 . 4.921 2.645 2.377 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 60 ASN HA 1 61 ILE H 2.885 . 3.925 3.544 3.518 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 59 TYR HB2 1 61 ILE H 3.749 . 5.506 5.645 5.559 5.741 0.235 19 0 "[ . 1 . 2 . 3]" 1
306 1 61 ILE H 1 61 ILE HG13 2.936 . 4.014 2.376 1.949 4.312 0.298 12 0 "[ . 1 . 2 . 3]" 1
307 1 61 ILE H 1 61 ILE HG12 3.540 . 5.106 3.419 1.820 4.535 0.154 19 0 "[ . 1 . 2 . 3]" 1
308 1 60 ASN H 1 62 GLN H 3.526 . 5.080 4.102 3.914 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 61 ILE HA 1 62 GLN H 3.524 . 5.077 3.532 3.523 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 62 GLN H 1 62 GLN HB2 3.228 . 4.530 2.431 2.320 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 61 ILE HB 1 62 GLN H 3.828 2.526 5.130 2.451 2.223 3.635 0.303 21 0 "[ . 1 . 2 . 3]" 1
312 1 62 GLN HA 1 63 LYS H 3.541 . 5.108 2.782 2.762 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 63 LYS H 1 63 LYS HG2 3.826 . 5.656 3.347 1.763 4.539 0.233 25 0 "[ . 1 . 2 . 3]" 1
314 1 64 GLU H 1 64 GLU HB2 3.124 . 4.344 2.538 2.420 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 68 HIS H 1 69 LEU H 3.764 2.809 4.719 4.348 4.104 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 67 LEU HA 1 68 HIS H 2.564 2.109 3.019 2.604 2.142 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 5 VAL HA 1 69 LEU H 3.070 . 4.248 3.033 2.831 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 68 HIS HB3 1 69 LEU H 3.407 . 4.858 3.864 3.368 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 69 LEU H 1 69 LEU MD1 3.085 . 4.274 4.201 4.135 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 4 PHE HB2 1 69 LEU H 3.085 . 4.274 3.687 3.246 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 69 LEU MD1 1 70 VAL H 3.117 . 4.332 1.731 1.676 1.816 0.226 14 0 "[ . 1 . 2 . 3]" 1
322 1 6 LYS H 1 71 LEU H 3.168 2.592 4.423 3.909 3.334 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 71 LEU H 1 71 LEU HB2 2.821 . 3.816 2.627 2.229 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 71 LEU H 1 71 LEU MD1 2.907 . 3.964 3.957 2.406 4.167 0.203 21 0 "[ . 1 . 2 . 3]" 1
325 1 72 ARG H 1 72 ARG HG2 3.764 2.809 4.719 4.051 3.298 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 15 LEU MD1 1 29 LYS H 3.764 . 5.719 5.644 5.495 5.773 0.054 5 0 "[ . 1 . 2 . 3]" 1
327 1 4 PHE H 1 69 LEU H 3.770 2.592 4.948 4.070 3.776 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 4 PHE HB2 1 5 VAL H 3.270 2.092 4.448 4.303 4.165 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 5 VAL H 1 5 VAL HB 3.270 2.092 3.680 2.461 2.435 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 5 VAL H 1 5 VAL MG2 3.270 2.092 3.707 2.885 2.770 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 5 VAL HB 1 13 ILE H 3.270 2.292 4.248 3.619 3.186 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 30 ILE H 1 30 ILE HG13 3.270 2.292 4.248 2.243 2.165 3.421 0.127 4 0 "[ . 1 . 2 . 3]" 1
333 1 15 LEU MD1 1 30 ILE H 3.270 2.292 4.248 3.896 3.702 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 27 LYS H 1 43 LEU MD1 3.870 3.041 4.677 4.329 4.137 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 40 GLN HA 1 41 GLN H 3.270 2.692 3.848 3.457 3.372 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 3 ILE HG13 1 15 LEU H 3.570 2.692 4.448 3.228 2.851 4.731 0.283 2 0 "[ . 1 . 2 . 3]" 1
337 1 31 GLN H 1 31 GLN HA 2.870 2.070 3.670 2.811 2.788 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 42 ARG H 1 72 ARG H 3.270 2.470 4.070 3.052 2.660 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 45 PHE H 1 45 PHE QD 3.270 2.470 4.070 4.284 4.190 4.343 0.273 12 0 "[ . 1 . 2 . 3]" 1
340 1 44 ILE H 1 70 VAL H 3.270 2.470 4.070 3.710 3.498 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 73 LEU HB3 1 74 ARG H 3.870 3.070 4.670 3.666 2.964 4.182 0.106 27 0 "[ . 1 . 2 . 3]" 1
342 1 73 LEU MD1 1 74 ARG H 3.870 3.070 4.670 3.895 3.051 4.896 0.226 20 0 "[ . 1 . 2 . 3]" 1
343 1 61 ILE H 1 61 ILE HB 2.708 . 3.624 2.535 2.355 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 4 PHE H 1 69 LEU HB3 4.085 2.896 5.274 5.262 5.059 5.475 0.201 29 0 "[ . 1 . 2 . 3]" 1
345 1 6 LYS H 1 70 VAL MG2 3.085 . 4.274 4.383 3.963 4.467 0.193 5 0 "[ . 1 . 2 . 3]" 1
346 1 4 PHE HA 1 5 VAL MG2 2.847 . 3.860 3.867 3.771 3.950 0.090 30 0 "[ . 1 . 2 . 3]" 1
347 1 4 PHE HA 1 4 PHE QB 2.996 . 4.118 2.402 2.335 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 45 PHE HA 1 45 PHE HB2 2.942 . 3.936 2.497 2.453 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 40 GLN HA 1 40 GLN HG2 2.083 . 2.625 2.555 2.342 2.742 0.117 25 0 "[ . 1 . 2 . 3]" 1
350 1 33 LYS H 1 33 LYS HA 2.505 . 3.289 2.880 2.856 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 5 VAL HA 1 5 VAL MG2 2.331 . 3.010 2.222 2.205 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 6 LYS HA 1 12 THR MG 3.023 . 4.166 3.415 2.977 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 51 GLU HA 1 52 ASP H 2.811 2.200 3.422 2.167 2.145 2.244 0.055 15 0 "[ . 1 . 2 . 3]" 1
354 1 13 ILE H 1 13 ILE MD 3.837 2.831 4.843 4.410 3.803 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 22 THR MG 1 23 ILE H 2.995 . 4.116 3.607 1.771 3.741 0.103 13 0 "[ . 1 . 2 . 3]" 1
356 1 26 VAL H 1 26 VAL MG2 2.772 . 3.732 1.927 1.845 1.983 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 26 VAL H 1 27 LYS H 2.517 . 3.309 2.345 2.312 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 43 LEU H 1 43 LEU MD1 3.374 . 4.797 3.841 3.802 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 43 LEU MD1 1 44 ILE H 3.500 2.300 4.700 5.062 5.010 5.110 0.410 7 0 "[ . 1 . 2 . 3]" 1
360 1 68 HIS H 1 68 HIS QB 3.004 . 4.132 2.560 2.253 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 70 VAL H 1 70 VAL MG2 3.032 . 4.181 2.752 2.630 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 70 VAL MG2 1 71 LEU H 2.746 . 3.689 3.874 3.824 3.912 0.223 25 0 "[ . 1 . 2 . 3]" 1
363 1 42 ARG H 1 43 LEU HA 3.546 2.603 4.489 4.632 4.606 4.687 0.198 22 0 "[ . 1 . 2 . 3]" 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 183
_Distance_constraint_stats_list.Viol_count 947
_Distance_constraint_stats_list.Viol_total 4222.059
_Distance_constraint_stats_list.Viol_max 0.481
_Distance_constraint_stats_list.Viol_rms 0.0716
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0256
_Distance_constraint_stats_list.Viol_average_violations_only 0.1486
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.983 0.137 19 0 "[ . 1 . 2 . 3]"
1 2 GLN 3.995 0.371 17 0 "[ . 1 . 2 . 3]"
1 3 ILE 1.990 0.337 19 0 "[ . 1 . 2 . 3]"
1 4 PHE 0.610 0.071 2 0 "[ . 1 . 2 . 3]"
1 5 VAL 14.734 0.259 1 0 "[ . 1 . 2 . 3]"
1 6 LYS 14.073 0.259 1 0 "[ . 1 . 2 . 3]"
1 7 THR 0.051 0.023 16 0 "[ . 1 . 2 . 3]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 12 THR 3.626 0.184 19 0 "[ . 1 . 2 . 3]"
1 13 ILE 7.137 0.311 11 0 "[ . 1 . 2 . 3]"
1 14 THR 7.614 0.311 11 0 "[ . 1 . 2 . 3]"
1 15 LEU 8.376 0.314 17 0 "[ . 1 . 2 . 3]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 VAL 0.181 0.084 19 0 "[ . 1 . 2 . 3]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 ASP 1.498 0.116 27 0 "[ . 1 . 2 . 3]"
1 22 THR 0.168 0.080 4 0 "[ . 1 . 2 . 3]"
1 23 ILE 2.238 0.277 15 0 "[ . 1 . 2 . 3]"
1 24 GLU 0.286 0.084 5 0 "[ . 1 . 2 . 3]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 VAL 10.376 0.384 17 0 "[ . 1 . 2 . 3]"
1 27 LYS 11.833 0.358 5 0 "[ . 1 . 2 . 3]"
1 28 ALA 9.971 0.358 5 0 "[ . 1 . 2 . 3]"
1 29 LYS 2.218 0.103 1 0 "[ . 1 . 2 . 3]"
1 30 ILE 5.732 0.166 15 0 "[ . 1 . 2 . 3]"
1 31 GLN 0.172 0.042 28 0 "[ . 1 . 2 . 3]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 LYS 2.008 0.123 13 0 "[ . 1 . 2 . 3]"
1 34 GLU 1.097 0.100 23 0 "[ . 1 . 2 . 3]"
1 35 GLY 1.168 0.100 23 0 "[ . 1 . 2 . 3]"
1 36 ILE 15.541 0.405 7 0 "[ . 1 . 2 . 3]"
1 38 PRO 8.806 0.337 27 0 "[ . 1 . 2 . 3]"
1 40 GLN 2.363 0.264 3 0 "[ . 1 . 2 . 3]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 42 ARG 4.050 0.481 12 0 "[ . 1 . 2 . 3]"
1 43 LEU 0.279 0.255 1 0 "[ . 1 . 2 . 3]"
1 44 ILE 9.219 0.301 24 0 "[ . 1 . 2 . 3]"
1 45 PHE 4.967 0.261 9 0 "[ . 1 . 2 . 3]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 49 GLN 7.921 0.215 28 0 "[ . 1 . 2 . 3]"
1 50 LEU 6.562 0.261 9 0 "[ . 1 . 2 . 3]"
1 51 GLU 2.637 0.221 23 0 "[ . 1 . 2 . 3]"
1 52 ASP 6.937 0.304 23 0 "[ . 1 . 2 . 3]"
1 54 ARG 2.416 0.201 8 0 "[ . 1 . 2 . 3]"
1 55 THR 6.269 0.277 15 0 "[ . 1 . 2 . 3]"
1 56 LEU 10.178 0.384 17 0 "[ . 1 . 2 . 3]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 45 PHE HB2 1 50 LEU MD2 2.802 2.081 3.523 3.296 2.257 3.465 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 17 VAL MG1 1 18 GLU H 3.200 2.400 4.000 3.262 3.019 3.672 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 3 ILE MD 1 17 VAL HB 3.883 2.584 5.182 4.002 3.722 4.251 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 36 ILE MG 1 40 GLN HB2 2.102 . 2.654 2.711 2.315 2.918 0.264 3 0 "[ . 1 . 2 . 3]" 2
5 1 30 ILE HB 1 30 ILE MG 2.807 2.309 3.305 2.145 2.143 2.148 0.166 15 0 "[ . 1 . 2 . 3]" 2
6 1 3 ILE HA 1 3 ILE MG 2.676 . 3.571 2.307 2.149 2.356 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 13 ILE HA 1 13 ILE MG 2.844 2.215 3.473 2.931 2.222 3.189 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 12 THR HA 1 13 ILE MG 2.868 . 3.896 3.811 3.719 3.937 0.041 26 0 "[ . 1 . 2 . 3]" 2
9 1 36 ILE H 1 36 ILE MG 2.559 . 3.378 3.758 3.727 3.783 0.405 7 0 "[ . 1 . 2 . 3]" 2
10 1 30 ILE MG 1 36 ILE H 3.277 2.381 4.173 4.121 3.878 4.292 0.119 3 0 "[ . 1 . 2 . 3]" 2
11 1 44 ILE MG 1 48 LYS H 3.500 2.810 4.190 3.358 3.115 3.511 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 30 ILE MG 1 31 GLN H 2.853 2.038 3.668 3.254 3.176 3.574 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 1 MET ME 1 56 LEU MD1 3.504 2.702 4.306 4.088 3.703 4.443 0.137 19 0 "[ . 1 . 2 . 3]" 2
14 1 1 MET ME 1 17 VAL MG1 2.824 2.260 3.388 2.751 2.293 3.467 0.079 29 0 "[ . 1 . 2 . 3]" 2
15 1 5 VAL HA 1 5 VAL MG1 2.822 2.089 3.555 2.424 2.386 2.453 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 17 VAL MG2 1 29 LYS HD2 3.556 2.683 4.429 3.704 3.199 4.380 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 22 THR H 1 22 THR MG 2.877 2.110 3.644 2.299 2.098 3.670 0.026 13 0 "[ . 1 . 2 . 3]" 2
18 1 5 VAL H 1 5 VAL MG1 2.878 2.110 3.646 3.746 3.722 3.770 0.124 5 0 "[ . 1 . 2 . 3]" 2
19 1 5 VAL MG2 1 6 LYS H 2.805 . 3.635 3.844 3.705 3.894 0.259 1 0 "[ . 1 . 2 . 3]" 2
20 1 22 THR MG 1 55 THR HA 2.787 . 3.758 3.627 3.319 3.838 0.080 4 0 "[ . 1 . 2 . 3]" 2
21 1 22 THR HA 1 55 THR MG 2.811 2.143 3.479 2.885 2.658 3.144 . 0 0 "[ . 1 . 2 . 3]" 2
22 1 55 THR HB 1 55 THR MG 2.888 2.234 3.542 2.149 2.145 2.152 0.089 15 0 "[ . 1 . 2 . 3]" 2
23 1 26 VAL MG1 1 27 LYS HA 2.809 2.022 3.596 3.636 3.536 3.710 0.114 15 0 "[ . 1 . 2 . 3]" 2
24 1 33 LYS HA 1 33 LYS HG2 2.802 2.081 3.523 2.572 2.496 2.627 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 26 VAL HB 1 56 LEU MD1 2.832 2.031 3.633 3.933 3.849 4.017 0.384 17 0 "[ . 1 . 2 . 3]" 2
26 1 56 LEU HB2 1 56 LEU MD1 2.825 2.090 3.560 2.261 2.217 2.324 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 45 PHE HB3 1 50 LEU MD1 2.703 . 3.616 2.230 2.168 2.769 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 28 ALA HA 1 31 GLN HB2 2.827 2.090 3.564 3.379 2.624 3.606 0.042 28 0 "[ . 1 . 2 . 3]" 2
29 1 31 GLN HA 1 31 GLN HB2 2.827 2.090 3.564 2.526 2.417 3.030 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 42 ARG HD2 1 42 ARG HG2 2.827 2.090 3.564 2.739 2.324 3.037 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 31 GLN HA 1 31 GLN HB3 2.827 2.090 3.564 2.979 2.501 3.033 . 0 0 "[ . 1 . 2 . 3]" 2
32 1 15 LEU MD1 1 15 LEU MD2 2.885 2.041 3.729 2.073 2.036 2.086 0.005 2 0 "[ . 1 . 2 . 3]" 2
33 1 31 GLN H 1 31 GLN HB3 2.885 2.041 3.729 2.671 2.451 3.600 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 31 GLN H 1 31 GLN HB2 2.885 2.041 3.729 2.519 2.398 2.625 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 29 LYS H 1 29 LYS HG2 2.922 . 3.989 4.026 3.886 4.092 0.103 1 0 "[ . 1 . 2 . 3]" 2
36 1 51 GLU HB2 1 54 ARG H 3.579 2.614 4.544 4.625 4.555 4.745 0.201 8 0 "[ . 1 . 2 . 3]" 2
37 1 27 LYS HA 1 30 ILE HB 2.336 . 3.018 2.922 2.810 3.078 0.060 8 0 "[ . 1 . 2 . 3]" 2
38 1 21 ASP HB3 1 26 VAL MG2 3.287 2.384 3.722 3.519 3.155 3.753 0.031 20 0 "[ . 1 . 2 . 3]" 2
39 1 56 LEU HB2 1 57 SER H 3.145 . 4.381 2.806 2.743 2.860 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 50 LEU HB3 1 50 LEU MD2 3.057 . 4.225 2.421 2.295 3.206 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 50 LEU HB2 1 50 LEU MD2 2.870 . 3.900 2.338 2.269 2.448 . 0 0 "[ . 1 . 2 . 3]" 2
42 1 50 LEU HA 1 50 LEU HB3 2.985 . 4.099 2.565 2.530 2.600 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 27 LYS QE 1 43 LEU MD1 2.615 . 3.470 2.642 2.095 3.725 0.255 1 0 "[ . 1 . 2 . 3]" 2
44 1 44 ILE MG 1 47 GLY HA2 2.895 . 3.943 2.809 2.693 2.955 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 45 PHE HB3 1 50 LEU MD2 3.061 . 4.232 3.635 2.175 3.870 . 0 0 "[ . 1 . 2 . 3]" 2
46 1 34 GLU H 1 35 GLY HA2 3.246 . 4.563 4.597 4.523 4.663 0.100 23 0 "[ . 1 . 2 . 3]" 2
47 1 45 PHE HB3 1 45 PHE HD1 2.776 . 3.739 3.656 3.618 3.685 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 45 PHE HB2 1 45 PHE HD1 2.595 . 3.437 2.422 2.382 2.460 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 45 PHE H 1 45 PHE HB3 3.170 . 4.426 2.807 2.706 2.884 . 0 0 "[ . 1 . 2 . 3]" 2
50 1 2 GLN HA 1 2 GLN HB2 2.663 . 3.549 2.622 2.435 3.020 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 43 LEU HA 1 43 LEU HB2 2.665 . 3.553 3.009 3.001 3.018 . 0 0 "[ . 1 . 2 . 3]" 2
52 1 43 LEU HA 1 43 LEU HB3 2.755 . 3.704 2.400 2.376 2.428 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 2 GLN HA 1 2 GLN HB3 2.597 . 3.440 2.459 2.323 3.028 . 0 0 "[ . 1 . 2 . 3]" 2
54 1 48 LYS HA 1 48 LYS QG 2.277 . 2.925 2.432 2.312 2.835 . 0 0 "[ . 1 . 2 . 3]" 2
55 1 1 MET HA 1 2 GLN H 2.432 . 3.171 2.776 2.227 3.010 . 0 0 "[ . 1 . 2 . 3]" 2
56 1 42 ARG HA 1 42 ARG HG2 2.120 . 2.682 2.643 2.320 3.047 0.365 12 0 "[ . 1 . 2 . 3]" 2
57 1 18 GLU HA 1 18 GLU HB2 2.482 . 3.252 3.024 3.014 3.035 . 0 0 "[ . 1 . 2 . 3]" 2
58 1 44 ILE MG 1 49 GLN HA 3.511 2.452 4.570 4.159 3.815 4.704 0.134 18 0 "[ . 1 . 2 . 3]" 2
59 1 42 ARG HA 1 43 LEU MD2 3.729 2.498 4.960 3.703 3.448 4.066 . 0 0 "[ . 1 . 2 . 3]" 2
60 1 4 PHE HA 1 4 PHE HB3 2.873 . 3.904 2.522 2.429 2.593 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 4 PHE HA 1 14 THR HA 3.086 . 4.277 2.424 2.338 2.678 . 0 0 "[ . 1 . 2 . 3]" 2
62 1 4 PHE HA 1 4 PHE HD1 2.947 . 4.033 3.894 3.603 4.087 0.054 21 0 "[ . 1 . 2 . 3]" 2
63 1 4 PHE HA 1 15 LEU H 3.537 . 5.101 3.456 3.260 3.927 . 0 0 "[ . 1 . 2 . 3]" 2
64 1 42 ARG H 1 42 ARG HA 2.691 . 3.596 2.961 2.956 2.969 . 0 0 "[ . 1 . 2 . 3]" 2
65 1 2 GLN H 1 2 GLN HA 2.816 . 3.808 2.929 2.912 2.944 . 0 0 "[ . 1 . 2 . 3]" 2
66 1 25 ASN HA 1 25 ASN HB2 2.346 . 3.034 2.542 2.477 2.607 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 25 ASN HA 1 25 ASN HB3 2.436 . 3.178 3.022 3.016 3.028 . 0 0 "[ . 1 . 2 . 3]" 2
68 1 56 LEU HA 1 56 LEU MD1 2.173 . 2.763 2.710 2.488 2.875 0.112 3 0 "[ . 1 . 2 . 3]" 2
69 1 56 LEU HA 1 56 LEU HB3 2.433 . 3.173 2.586 2.549 2.622 . 0 0 "[ . 1 . 2 . 3]" 2
70 1 23 ILE H 1 55 THR HA 2.954 . 4.045 4.118 4.055 4.322 0.277 15 0 "[ . 1 . 2 . 3]" 2
71 1 13 ILE HA 1 13 ILE HB 2.452 . 3.203 2.514 2.493 2.552 . 0 0 "[ . 1 . 2 . 3]" 2
72 1 24 GLU H 1 24 GLU HA 2.856 . 3.875 2.757 2.737 2.811 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 23 ILE HA 1 56 LEU MD1 3.831 2.609 5.053 3.261 3.177 3.443 . 0 0 "[ . 1 . 2 . 3]" 2
74 1 23 ILE HA 1 26 VAL HB 2.505 . 3.289 2.849 2.706 3.055 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 23 ILE HA 1 23 ILE HG12 3.115 . 4.328 3.376 3.326 3.594 . 0 0 "[ . 1 . 2 . 3]" 2
76 1 23 ILE H 1 23 ILE HA 2.808 . 3.794 2.884 2.862 2.896 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 30 ILE HA 1 33 LYS HB2 3.519 . 5.191 2.918 2.807 3.012 . 0 0 "[ . 1 . 2 . 3]" 2
78 1 30 ILE HA 1 33 LYS HB3 3.575 2.042 5.108 4.582 4.446 4.688 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 38 PRO HA 1 38 PRO HG2 2.882 2.231 3.533 3.827 3.798 3.870 0.337 27 0 "[ . 1 . 2 . 3]" 2
80 1 12 THR HA 1 12 THR HB 2.805 . 3.789 3.028 3.019 3.030 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 55 THR HA 1 55 THR HB 2.627 . 3.489 2.500 2.457 2.534 . 0 0 "[ . 1 . 2 . 3]" 2
82 1 15 LEU HB2 1 15 LEU MD1 2.210 . 2.821 2.270 2.214 2.297 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 43 LEU HB3 1 43 LEU MD2 2.817 2.202 3.432 2.453 2.365 2.547 . 0 0 "[ . 1 . 2 . 3]" 2
84 1 43 LEU H 1 43 LEU HB2 2.804 . 3.787 2.575 2.530 2.629 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 23 ILE HA 1 26 VAL MG1 3.818 2.962 4.674 4.321 4.210 4.472 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 6 LYS HA 1 6 LYS HB3 2.634 . 3.501 3.014 3.010 3.024 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 4 PHE HB3 1 4 PHE HD1 3.686 . 5.384 3.682 3.629 3.734 . 0 0 "[ . 1 . 2 . 3]" 2
88 1 55 THR HA 1 56 LEU MD1 3.327 . 4.710 3.001 2.930 3.078 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 55 THR HA 1 56 LEU HB2 3.501 . 5.033 4.604 4.559 4.648 . 0 0 "[ . 1 . 2 . 3]" 2
90 1 36 ILE HA 1 36 ILE MG 2.263 . 2.903 2.311 2.224 2.349 . 0 0 "[ . 1 . 2 . 3]" 2
91 1 43 LEU HA 1 43 LEU MD2 2.334 . 3.015 2.064 2.047 2.090 . 0 0 "[ . 1 . 2 . 3]" 2
92 1 36 ILE HB 1 36 ILE MG 1.980 . 2.470 2.150 2.143 2.157 . 0 0 "[ . 1 . 2 . 3]" 2
93 1 13 ILE MG 1 14 THR H 2.678 . 3.575 3.810 3.706 3.886 0.311 11 0 "[ . 1 . 2 . 3]" 2
94 1 23 ILE HA 1 23 ILE MD 2.327 . 3.004 2.105 2.066 2.714 . 0 0 "[ . 1 . 2 . 3]" 2
95 1 23 ILE HA 1 23 ILE HG13 3.127 . 4.349 3.681 2.339 3.744 . 0 0 "[ . 1 . 2 . 3]" 2
96 1 18 GLU HA 1 19 PRO HD2 2.399 . 3.118 2.402 2.288 2.546 . 0 0 "[ . 1 . 2 . 3]" 2
97 1 7 THR MG 1 11 LYS QB 3.299 2.480 4.118 2.861 2.526 3.115 . 0 0 "[ . 1 . 2 . 3]" 2
98 1 5 VAL MG1 1 7 THR MG 3.299 2.480 4.118 2.600 2.457 2.742 0.023 16 0 "[ . 1 . 2 . 3]" 2
99 1 15 LEU MD2 1 30 ILE MD 3.299 2.480 4.118 2.883 2.339 3.212 0.141 8 0 "[ . 1 . 2 . 3]" 2
100 1 43 LEU HB2 1 43 LEU MD1 2.800 . 3.800 2.456 2.387 2.511 . 0 0 "[ . 1 . 2 . 3]" 2
101 1 2 GLN H 1 2 GLN HB3 2.658 . 3.541 3.464 2.807 3.912 0.371 17 0 "[ . 1 . 2 . 3]" 2
102 1 2 GLN H 1 2 GLN HB2 2.949 . 4.036 3.587 2.716 3.917 . 0 0 "[ . 1 . 2 . 3]" 2
103 1 2 GLN HB2 1 3 ILE H 2.921 . 3.987 3.299 2.393 4.324 0.337 19 0 "[ . 1 . 2 . 3]" 2
104 1 3 ILE H 1 14 THR MG 2.815 . 3.806 3.237 2.872 3.925 0.119 2 0 "[ . 1 . 2 . 3]" 2
105 1 3 ILE H 1 3 ILE MG 2.670 . 3.561 2.839 2.404 3.709 0.148 2 0 "[ . 1 . 2 . 3]" 2
106 1 3 ILE HB 1 4 PHE H 2.579 . 3.410 2.852 2.743 3.475 0.065 2 0 "[ . 1 . 2 . 3]" 2
107 1 4 PHE H 1 14 THR MG 3.135 . 4.364 4.335 4.046 4.432 0.068 3 0 "[ . 1 . 2 . 3]" 2
108 1 4 PHE H 1 4 PHE HB3 3.091 . 4.285 3.617 3.574 3.657 . 0 0 "[ . 1 . 2 . 3]" 2
109 1 4 PHE HB3 1 5 VAL H 3.188 . 4.458 3.349 3.266 3.534 . 0 0 "[ . 1 . 2 . 3]" 2
110 1 5 VAL H 1 6 LYS H 3.314 . 4.687 4.234 4.183 4.456 . 0 0 "[ . 1 . 2 . 3]" 2
111 1 5 VAL HB 1 6 LYS H 3.297 . 4.656 4.377 4.114 4.434 . 0 0 "[ . 1 . 2 . 3]" 2
112 1 5 VAL H 1 13 ILE H 2.838 . 3.845 3.362 3.254 3.487 . 0 0 "[ . 1 . 2 . 3]" 2
113 1 13 ILE H 1 13 ILE HB 2.847 . 3.860 3.289 3.062 3.816 . 0 0 "[ . 1 . 2 . 3]" 2
114 1 14 THR MG 1 15 LEU H 2.646 . 3.521 2.272 2.095 3.336 . 0 0 "[ . 1 . 2 . 3]" 2
115 1 15 LEU H 1 15 LEU MD1 2.622 . 3.481 3.727 3.631 3.795 0.314 17 0 "[ . 1 . 2 . 3]" 2
116 1 16 GLU QG 1 17 VAL H 3.805 2.521 5.089 3.299 2.686 4.219 . 0 0 "[ . 1 . 2 . 3]" 2
117 1 16 GLU QB 1 17 VAL H 3.042 . 4.199 3.597 3.264 3.828 . 0 0 "[ . 1 . 2 . 3]" 2
118 1 2 GLN HA 1 17 VAL H 3.355 . 4.762 3.138 2.669 4.131 . 0 0 "[ . 1 . 2 . 3]" 2
119 1 20 SER H 1 21 ASP H 2.831 . 3.833 2.296 2.033 2.669 . 0 0 "[ . 1 . 2 . 3]" 2
120 1 20 SER HA 1 21 ASP H 3.115 . 4.328 3.395 3.185 3.528 . 0 0 "[ . 1 . 2 . 3]" 2
121 1 17 VAL MG2 1 21 ASP H 3.073 . 4.254 3.596 3.404 3.862 . 0 0 "[ . 1 . 2 . 3]" 2
122 1 21 ASP H 1 55 THR MG 3.305 . 4.670 4.681 4.373 4.786 0.116 27 0 "[ . 1 . 2 . 3]" 2
123 1 22 THR HB 1 23 ILE H 2.444 . 3.191 2.226 2.041 2.749 . 0 0 "[ . 1 . 2 . 3]" 2
124 1 23 ILE H 1 23 ILE MD 2.971 . 4.074 2.566 1.829 2.695 0.039 15 0 "[ . 1 . 2 . 3]" 2
125 1 23 ILE HB 1 24 GLU H 3.540 . 5.106 2.507 2.334 2.847 . 0 0 "[ . 1 . 2 . 3]" 2
126 1 22 THR HB 1 24 GLU H 3.857 . 5.717 3.039 2.399 3.183 . 0 0 "[ . 1 . 2 . 3]" 2
127 1 25 ASN HA 1 26 VAL H 2.791 . 3.764 3.584 3.579 3.590 . 0 0 "[ . 1 . 2 . 3]" 2
128 1 23 ILE HA 1 26 VAL H 3.024 . 4.094 3.165 3.017 3.267 . 0 0 "[ . 1 . 2 . 3]" 2
129 1 27 LYS H 1 27 LYS HA 2.657 . 3.539 2.874 2.866 2.886 . 0 0 "[ . 1 . 2 . 3]" 2
130 1 26 VAL HA 1 29 LYS H 2.967 . 4.067 3.561 3.498 3.650 . 0 0 "[ . 1 . 2 . 3]" 2
131 1 29 LYS H 1 30 ILE H 2.839 . 3.846 2.867 2.806 2.910 . 0 0 "[ . 1 . 2 . 3]" 2
132 1 27 LYS HA 1 30 ILE H 3.167 . 4.421 3.679 3.578 3.784 . 0 0 "[ . 1 . 2 . 3]" 2
133 1 33 LYS H 1 33 LYS HG2 2.603 . 3.450 3.517 3.459 3.573 0.123 13 0 "[ . 1 . 2 . 3]" 2
134 1 31 GLN HA 1 34 GLU H 3.161 . 4.410 3.645 3.538 3.803 . 0 0 "[ . 1 . 2 . 3]" 2
135 1 30 ILE MG 1 34 GLU H 2.949 . 4.036 3.669 3.399 3.815 . 0 0 "[ . 1 . 2 . 3]" 2
136 1 36 ILE H 1 36 ILE HG12 2.572 . 3.399 3.362 1.924 3.551 0.152 9 0 "[ . 1 . 2 . 3]" 2
137 1 36 ILE MG 1 40 GLN H 3.819 2.603 5.035 4.115 3.631 4.395 . 0 0 "[ . 1 . 2 . 3]" 2
138 1 44 ILE H 1 44 ILE MG 3.583 2.615 4.551 3.835 3.648 3.865 . 0 0 "[ . 1 . 2 . 3]" 2
139 1 44 ILE MG 1 45 PHE H 2.750 . 3.695 2.772 2.623 2.870 . 0 0 "[ . 1 . 2 . 3]" 2
140 1 45 PHE H 1 50 LEU MD2 3.349 . 4.751 4.847 2.672 5.012 0.261 9 0 "[ . 1 . 2 . 3]" 2
141 1 46 ALA MB 1 47 GLY H 3.290 . 4.643 3.664 3.633 3.686 . 0 0 "[ . 1 . 2 . 3]" 2
142 1 49 GLN H 1 49 GLN HB2 2.641 . 3.513 2.402 2.299 2.527 . 0 0 "[ . 1 . 2 . 3]" 2
143 1 49 GLN HB2 1 50 LEU H 3.037 . 4.190 4.243 4.176 4.302 0.112 14 0 "[ . 1 . 2 . 3]" 2
144 1 52 ASP H 1 52 ASP HA 2.042 . 2.563 2.787 2.764 2.867 0.304 23 0 "[ . 1 . 2 . 3]" 2
145 1 52 ASP H 1 52 ASP HB2 2.214 . 2.827 2.507 2.336 2.690 . 0 0 "[ . 1 . 2 . 3]" 2
146 1 51 GLU HG2 1 52 ASP H 2.821 2.148 3.494 2.606 2.193 3.715 0.221 23 0 "[ . 1 . 2 . 3]" 2
147 1 56 LEU H 1 57 SER H 2.785 . 3.755 2.709 2.682 2.731 . 0 0 "[ . 1 . 2 . 3]" 2
148 1 55 THR HB 1 57 SER H 2.795 . 3.772 2.683 2.605 2.788 . 0 0 "[ . 1 . 2 . 3]" 2
149 1 3 ILE MG 1 4 PHE H 3.800 3.000 4.600 3.824 2.929 3.910 0.071 2 0 "[ . 1 . 2 . 3]" 2
150 1 3 ILE MD 1 56 LEU MD2 2.884 2.341 3.427 2.476 2.327 2.850 0.014 20 0 "[ . 1 . 2 . 3]" 2
151 1 44 ILE HB 1 44 ILE MG . 2.441 2.810 2.145 2.140 2.148 0.301 24 0 "[ . 1 . 2 . 3]" 2
152 1 27 LYS H 1 28 ALA MB 2.771 . 3.731 4.060 4.016 4.089 0.358 5 0 "[ . 1 . 2 . 3]" 2
153 1 38 PRO HA 1 38 PRO HG2 2.851 2.160 3.542 3.340 3.310 3.363 . 0 0 "[ . 1 . 2 . 3]" 2
154 1 40 GLN H 1 40 GLN QB 2.609 . 3.460 2.354 2.292 2.438 . 0 0 "[ . 1 . 2 . 3]" 2
155 1 1 MET QG 1 17 VAL MG1 3.571 2.540 4.602 3.443 2.529 4.686 0.084 19 0 "[ . 1 . 2 . 3]" 2
156 1 27 LYS QB 1 28 ALA H 2.561 . 3.381 2.318 2.266 2.379 . 0 0 "[ . 1 . 2 . 3]" 2
157 1 1 MET HA 1 1 MET QB 2.470 . 3.233 2.209 2.144 2.360 . 0 0 "[ . 1 . 2 . 3]" 2
158 1 5 VAL HB 1 5 VAL MG2 2.882 2.340 3.424 2.159 2.155 2.163 0.185 17 0 "[ . 1 . 2 . 3]" 2
159 1 15 LEU MD2 1 29 LYS HB2 3.215 2.360 4.070 2.340 2.280 2.429 0.080 5 0 "[ . 1 . 2 . 3]" 2
160 1 56 LEU HB3 1 56 LEU MD1 2.497 . 3.277 3.201 3.190 3.207 . 0 0 "[ . 1 . 2 . 3]" 2
161 1 1 MET HA 1 1 MET QB 2.082 . 2.624 2.276 2.195 2.467 . 0 0 "[ . 1 . 2 . 3]" 2
162 1 44 ILE MD 1 49 GLN HA 2.881 2.111 3.651 2.833 2.492 3.177 . 0 0 "[ . 1 . 2 . 3]" 2
163 1 4 PHE HA 1 12 THR MG 3.269 . 4.604 3.957 3.702 4.136 . 0 0 "[ . 1 . 2 . 3]" 2
164 1 49 GLN H 1 49 GLN HA 2.105 . 2.659 2.859 2.842 2.874 0.215 28 0 "[ . 1 . 2 . 3]" 2
165 1 25 ASN HA 1 28 ALA H 3.272 2.627 3.812 3.211 3.123 3.304 . 0 0 "[ . 1 . 2 . 3]" 2
166 1 42 ARG HA 1 42 ARG HD2 2.649 . 3.526 3.291 2.292 4.007 0.481 12 0 "[ . 1 . 2 . 3]" 2
167 1 31 GLN HA 1 35 GLY H 3.082 2.372 3.792 3.659 3.448 3.828 0.036 5 0 "[ . 1 . 2 . 3]" 2
168 1 24 GLU HA 1 27 LYS QB 2.860 2.029 3.691 2.601 2.428 2.724 . 0 0 "[ . 1 . 2 . 3]" 2
169 1 24 GLU HA 1 28 ALA MB 4.391 3.677 6.005 4.985 4.753 5.178 . 0 0 "[ . 1 . 2 . 3]" 2
170 1 6 LYS QG 1 12 THR HA 2.805 . 3.788 3.906 3.811 3.972 0.184 19 0 "[ . 1 . 2 . 3]" 2
171 1 6 LYS HA 1 6 LYS QG 2.553 . 3.368 2.271 2.207 2.380 . 0 0 "[ . 1 . 2 . 3]" 2
172 1 1 MET QB 1 2 GLN H 2.631 . 3.497 2.185 1.755 3.605 0.108 20 0 "[ . 1 . 2 . 3]" 2
173 1 6 LYS H 1 6 LYS QG 2.832 . 3.834 3.976 3.952 4.042 0.208 2 0 "[ . 1 . 2 . 3]" 2
174 1 5 VAL MG1 1 13 ILE H 3.063 . 4.236 3.908 3.712 4.080 . 0 0 "[ . 1 . 2 . 3]" 2
175 1 19 PRO HA 1 20 SER H 2.816 . 3.807 3.427 3.313 3.557 . 0 0 "[ . 1 . 2 . 3]" 2
176 1 24 GLU H 1 27 LYS QB 3.433 . 4.906 4.867 4.609 4.990 0.084 5 0 "[ . 1 . 2 . 3]" 2
177 1 27 LYS H 1 27 LYS QB 2.465 . 3.224 2.352 2.275 2.446 . 0 0 "[ . 1 . 2 . 3]" 2
178 1 26 VAL MG2 1 29 LYS H 4.215 3.002 5.428 5.243 5.207 5.315 . 0 0 "[ . 1 . 2 . 3]" 2
179 1 28 ALA MB 1 32 ASP H 3.985 2.717 5.253 4.538 4.338 4.663 . 0 0 "[ . 1 . 2 . 3]" 2
180 1 32 ASP HA 1 33 LYS H 2.845 . 3.720 3.558 3.547 3.567 . 0 0 "[ . 1 . 2 . 3]" 2
181 1 36 ILE MG 1 41 GLN H 3.173 . 4.432 3.638 2.923 4.071 . 0 0 "[ . 1 . 2 . 3]" 2
182 1 45 PHE H 1 49 GLN HA 3.197 . 4.474 3.720 3.607 3.859 . 0 0 "[ . 1 . 2 . 3]" 2
183 1 48 LYS HA 1 49 GLN H 2.604 . 3.452 2.207 2.186 2.221 . 0 0 "[ . 1 . 2 . 3]" 2
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