NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486677 |
2w1o   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2w1o
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 380
_Distance_constraint_stats_list.Viol_count 1088
_Distance_constraint_stats_list.Viol_total 28286.092
_Distance_constraint_stats_list.Viol_max 10.662
_Distance_constraint_stats_list.Viol_rms 2.0176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7444
_Distance_constraint_stats_list.Viol_average_violations_only 2.5998
_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 TYR 40.790 4.536 3 10 [**+*****-*]
1 5 VAL 8.926 0.978 8 10 [*******+-*]
1 6 ALA 78.380 7.985 10 10 [*******-*+]
1 7 SER 0.000 0.000 . 0 "[ . 1]"
1 8 TYR 58.924 5.213 10 10 [********-+]
1 9 LEU 81.215 7.988 10 10 [*******-*+]
1 10 LEU 176.915 7.839 3 10 [**+*-*****]
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 ALA 31.146 3.744 9 10 [********+*]
1 13 LEU 0.544 0.129 5 0 "[ . 1]"
1 14 GLY 0.000 0.000 . 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 ASN 0.000 0.000 . 0 "[ . 1]"
1 17 SER 48.261 3.744 9 10 [********+*]
1 18 SER 18.782 2.056 3 10 [**+******-]
1 19 PRO 63.283 6.857 4 10 [***+-*****]
1 20 SER 32.273 2.241 6 10 [**-**+****]
1 21 ALA 2.122 0.328 4 0 "[ . 1]"
1 22 LYS 20.353 1.298 6 10 [-****+****]
1 23 ASP 90.741 6.857 4 10 [-**+******]
1 24 ILE 2.122 0.328 4 0 "[ . 1]"
1 25 LYS 0.000 0.000 . 0 "[ . 1]"
1 26 LYS 13.445 0.758 5 10 [****+****-]
1 27 ILE 77.424 7.853 3 10 [*-+*******]
1 28 LEU 114.351 7.412 4 10 [***+****-*]
1 29 ASP 1.719 0.229 10 0 "[ . 1]"
1 30 SER 0.914 0.191 5 0 "[ . 1]"
1 31 VAL 0.580 0.116 10 0 "[ . 1]"
1 32 GLY 2.580 0.229 10 0 "[ . 1]"
1 33 ILE 0.000 0.000 . 0 "[ . 1]"
1 36 ASP 91.962 5.296 2 10 [*+***-****]
1 37 ASP 30.756 2.097 1 10 [+*-*******]
1 38 ASP 25.985 1.873 2 10 [*+***-****]
1 39 ARG 85.679 5.296 2 10 [*+****-***]
1 40 LEU 22.629 2.097 1 10 [+**-******]
1 41 ASN 17.030 0.950 6 10 [*-***+****]
1 42 LYS 3.852 0.497 5 0 "[ . 1]"
1 43 VAL 0.000 0.000 . 0 "[ . 1]"
1 44 ILE 123.494 5.213 10 10 [******-**+]
1 45 SER 23.336 1.976 2 10 [*+***-****]
1 46 GLU 0.166 0.166 6 0 "[ . 1]"
1 47 LEU 1.301 0.763 9 1 "[ . +1]"
1 48 ASN 26.602 2.909 2 10 [*+*-******]
1 51 ASN 53.537 5.742 10 10 [********-+]
1 52 ILE 0.000 0.000 . 0 "[ . 1]"
1 53 GLU 102.075 10.325 10 10 [-********+]
1 54 ASP 53.537 5.742 10 10 [********-+]
1 55 VAL 3.661 0.495 5 0 "[ . 1]"
1 56 ILE 1072.352 10.662 6 10 [*****+***-]
1 57 ALA 80.951 5.121 8 10 [*******+*-]
1 58 GLN 3.661 0.495 5 0 "[ . 1]"
1 59 GLY 0.000 0.000 . 0 "[ . 1]"
1 61 GLY 24.679 2.718 1 10 [+**-******]
1 63 LEU 4.086 0.773 5 4 "[ **+ - 1]"
1 64 ALA 4.086 0.773 5 4 "[ **+ - 1]"
1 65 SER 0.000 0.000 . 0 "[ . 1]"
1 66 VAL 0.000 0.000 . 0 "[ . 1]"
2 4 TYR 40.789 4.538 3 10 [**+*****-*]
2 5 VAL 8.951 0.984 8 10 [*******+-*]
2 6 ALA 78.369 7.988 10 10 [*******-*+]
2 7 SER 0.000 0.000 . 0 "[ . 1]"
2 8 TYR 58.980 5.217 10 10 [********-+]
2 9 LEU 81.198 7.985 10 10 [*******-*+]
2 10 LEU 176.474 7.853 3 10 [**+*-*****]
2 11 ALA 0.000 0.000 . 0 "[ . 1]"
2 12 ALA 31.153 3.752 9 10 [********+*]
2 13 LEU 0.000 0.000 . 0 "[ . 1]"
2 14 GLY 0.000 0.000 . 0 "[ . 1]"
2 15 GLY 0.000 0.000 . 0 "[ . 1]"
2 16 ASN 0.000 0.000 . 0 "[ . 1]"
2 17 SER 48.261 3.752 9 10 [********+*]
2 18 SER 18.777 2.058 3 10 [**+******-]
2 19 PRO 63.257 6.852 4 10 [***+-*****]
2 20 SER 32.315 2.242 6 10 [**-**+****]
2 21 ALA 2.099 0.307 4 0 "[ . 1]"
2 22 LYS 15.729 1.302 6 10 [**-**+****]
2 23 ASP 84.605 6.852 4 10 [**-+******]
2 24 ILE 2.099 0.307 4 0 "[ . 1]"
2 25 LYS 0.000 0.000 . 0 "[ . 1]"
2 26 LYS 13.475 0.764 5 10 [****+****-]
2 27 ILE 77.369 7.839 3 10 [*-+*******]
2 28 LEU 114.304 7.400 4 10 [***+****-*]
2 29 ASP 1.722 0.236 10 0 "[ . 1]"
2 30 SER 0.942 0.189 5 0 "[ . 1]"
2 31 VAL 0.577 0.117 10 0 "[ . 1]"
2 32 GLY 2.611 0.236 10 0 "[ . 1]"
2 33 ILE 0.000 0.000 . 0 "[ . 1]"
2 36 ASP 86.249 4.767 8 10 [*****-*+**]
2 37 ASP 30.815 2.104 1 10 [+*-*******]
2 38 ASP 24.480 1.477 3 10 [**+**-****]
2 39 ARG 81.564 4.767 8 10 [******-+**]
2 40 LEU 22.691 2.104 1 10 [+***-*****]
2 41 ASN 17.020 0.949 2 10 [*+********]
2 42 LYS 3.864 0.504 5 1 "[ + 1]"
2 43 VAL 0.000 0.000 . 0 "[ . 1]"
2 44 ILE 123.508 5.217 10 10 [******-**+]
2 45 SER 23.332 1.976 2 10 [*+***-****]
2 46 GLU 0.170 0.170 6 0 "[ . 1]"
2 47 LEU 1.298 0.758 9 1 "[ . +1]"
2 48 ASN 26.606 2.907 2 10 [*+*-******]
2 51 ASN 53.520 5.737 10 10 [********-+]
2 52 ILE 0.000 0.000 . 0 "[ . 1]"
2 53 GLU 102.075 10.321 10 10 [-********+]
2 54 ASP 53.520 5.737 10 10 [********-+]
2 55 VAL 2.894 0.497 5 0 "[ . 1]"
2 56 ILE 1072.343 10.662 6 10 [*****+***-]
2 57 ALA 80.925 5.123 8 10 [*******+*-]
2 58 GLN 2.894 0.497 5 0 "[ . 1]"
2 59 GLY 0.000 0.000 . 0 "[ . 1]"
2 61 GLY 24.674 2.717 1 10 [+**-******]
2 63 LEU 4.077 0.770 5 4 "[ **+ - 1]"
2 64 ALA 4.077 0.770 5 4 "[ **+ - 1]"
2 65 SER 0.000 0.000 . 0 "[ . 1]"
2 66 VAL 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 4 TYR HA 1 28 LEU MD1 3.705 . 5.421 9.500 8.812 9.957 4.536 3 10 [**+*****-*] 1
2 2 4 TYR HA 2 28 LEU MD1 3.705 . 5.421 9.500 8.802 9.959 4.538 3 10 [**+*****-*] 1
3 1 5 VAL HA 1 8 TYR QB 2.685 . 3.355 4.248 4.137 4.333 0.978 8 10 [*******+-*] 1
4 2 5 VAL HA 2 8 TYR QB 2.685 . 3.355 4.250 4.146 4.339 0.984 8 10 [*******+-*] 1
5 1 6 ALA HA 2 9 LEU QB 2.701 . 3.093 10.916 10.717 11.078 7.985 10 10 [*******-*+] 1
6 1 9 LEU QB 2 6 ALA HA 2.701 . 3.093 10.917 10.720 11.081 7.988 10 10 [*******-*+] 1
7 1 8 TYR HA 1 8 TYR QB 2.426 . 3.162 2.168 2.163 2.175 . 0 0 "[ . 1]" 1
8 2 8 TYR HA 2 8 TYR QB 2.426 . 3.162 2.168 2.164 2.176 . 0 0 "[ . 1]" 1
9 1 9 LEU HA 1 9 LEU QB 2.122 . 2.604 2.319 2.300 2.331 . 0 0 "[ . 1]" 1
10 2 9 LEU HA 2 9 LEU QB 2.122 . 2.604 2.320 2.304 2.333 . 0 0 "[ . 1]" 1
11 1 10 LEU HA 1 10 LEU QD 1.910 . 2.366 2.337 2.245 2.378 0.012 7 0 "[ . 1]" 1
12 2 10 LEU HA 2 10 LEU QD 1.910 . 2.366 2.337 2.248 2.376 0.010 7 0 "[ . 1]" 1
13 1 10 LEU HA 1 10 LEU QB 2.288 . 2.942 2.521 2.515 2.528 . 0 0 "[ . 1]" 1
14 2 10 LEU HA 2 10 LEU QB 2.288 . 2.942 2.521 2.515 2.529 . 0 0 "[ . 1]" 1
15 1 10 LEU QD 1 10 LEU HG 2.130 . 2.697 1.892 1.890 1.893 . 0 0 "[ . 1]" 1
16 2 10 LEU QD 2 10 LEU HG 2.130 . 2.697 1.892 1.890 1.893 . 0 0 "[ . 1]" 1
17 1 10 LEU QD 2 7 SER HA 2.683 . 3.325 2.711 2.549 2.881 . 0 0 "[ . 1]" 1
18 1 7 SER HA 2 10 LEU QD 2.683 . 3.325 2.717 2.535 2.889 . 0 0 "[ . 1]" 1
19 1 10 LEU QB 1 10 LEU QD 2.046 . 2.521 1.928 1.922 1.944 . 0 0 "[ . 1]" 1
20 2 10 LEU QB 2 10 LEU QD 2.046 . 2.521 1.927 1.921 1.942 . 0 0 "[ . 1]" 1
21 1 12 ALA HA 1 12 ALA MB 1.931 . 2.397 2.137 2.131 2.140 . 0 0 "[ . 1]" 1
22 2 12 ALA HA 2 12 ALA MB 1.931 . 2.397 2.137 2.132 2.141 . 0 0 "[ . 1]" 1
23 1 9 LEU HA 1 12 ALA MB 2.077 . 2.616 2.899 2.832 2.954 0.338 1 0 "[ . 1]" 1
24 2 9 LEU HA 2 12 ALA MB 2.077 . 2.616 2.899 2.827 2.950 0.334 1 0 "[ . 1]" 1
25 1 13 LEU HA 1 13 LEU QB 2.116 . 2.639 2.180 2.176 2.183 . 0 0 "[ . 1]" 1
26 2 13 LEU HA 2 13 LEU QB 2.116 . 2.639 2.329 2.315 2.345 . 0 0 "[ . 1]" 1
27 1 10 LEU HA 1 13 LEU QB 2.631 . 3.244 3.295 3.214 3.373 0.129 5 0 "[ . 1]" 1
28 2 10 LEU HA 2 13 LEU QB 2.631 . 3.244 2.819 2.800 2.841 . 0 0 "[ . 1]" 1
29 1 17 SER HA 1 17 SER QB 1.937 . 2.262 2.370 2.178 2.436 0.174 2 0 "[ . 1]" 1
30 2 17 SER HA 2 17 SER QB 1.937 . 2.262 2.370 2.175 2.439 0.177 2 0 "[ . 1]" 1
31 1 12 ALA MB 1 17 SER HA 2.382 . 3.091 5.804 5.012 6.835 3.744 9 10 [**-*****+*] 1
32 2 12 ALA MB 2 17 SER HA 2.382 . 3.091 5.805 5.019 6.843 3.752 9 10 [**-*****+*] 1
33 1 12 ALA MB 1 17 SER QB 3.118 . 4.333 3.456 2.434 5.435 1.102 9 1 "[ . +1]" 1
34 2 12 ALA MB 2 17 SER QB 3.118 . 4.333 3.456 2.440 5.437 1.104 9 1 "[ . +1]" 1
35 1 17 SER QB 1 18 SER QB 2.500 . 3.597 5.475 5.092 5.653 2.056 3 10 [**+******-] 1
36 2 17 SER QB 2 18 SER QB 2.500 . 3.597 5.475 5.089 5.655 2.058 3 10 [**+******-] 1
37 1 18 SER HA 1 18 SER QB 3.071 . 3.889 2.308 2.292 2.350 . 0 0 "[ . 1]" 1
38 2 18 SER HA 2 18 SER QB 3.071 . 3.889 2.308 2.294 2.352 . 0 0 "[ . 1]" 1
39 1 19 PRO HA 1 19 PRO QB 2.126 . 2.691 2.348 2.188 2.451 . 0 0 "[ . 1]" 1
40 2 19 PRO HA 2 19 PRO QB 2.126 . 2.691 2.348 2.188 2.451 . 0 0 "[ . 1]" 1
41 1 22 LYS HA 1 22 LYS QB 1.869 . 2.204 2.173 2.166 2.178 . 0 0 "[ . 1]" 1
42 2 22 LYS HA 2 22 LYS QB 1.869 . 2.204 2.350 2.330 2.372 0.168 6 0 "[ . 1]" 1
43 1 23 ASP HA 1 26 LYS QG 2.876 . 3.910 2.768 2.351 3.137 . 0 0 "[ . 1]" 1
44 2 23 ASP HA 2 26 LYS QG 2.876 . 3.910 2.771 2.359 3.144 . 0 0 "[ . 1]" 1
45 1 23 ASP HA 1 23 ASP QB 2.338 . 2.921 2.335 2.306 2.403 . 0 0 "[ . 1]" 1
46 2 23 ASP HA 2 23 ASP QB 2.338 . 2.921 2.335 2.306 2.402 . 0 0 "[ . 1]" 1
47 1 23 ASP HA 1 26 LYS QB 2.365 . 3.064 2.801 2.705 2.876 . 0 0 "[ . 1]" 1
48 2 23 ASP HA 2 26 LYS QB 2.365 . 3.064 2.802 2.703 2.885 . 0 0 "[ . 1]" 1
49 1 19 PRO QB 1 23 ASP QB 2.867 . 3.727 10.055 9.576 10.584 6.857 4 10 [***+-*****] 1
50 2 19 PRO QB 2 23 ASP QB 2.867 . 3.727 10.053 9.568 10.579 6.852 4 10 [***+-*****] 1
51 1 25 LYS HA 1 28 LEU MD1 2.205 . 2.751 2.245 2.154 2.328 . 0 0 "[ . 1]" 1
52 2 25 LYS HA 2 28 LEU MD1 2.205 . 2.751 2.245 2.157 2.324 . 0 0 "[ . 1]" 1
53 1 26 LYS HA 1 26 LYS QD 2.592 . 3.340 4.007 3.927 4.098 0.758 5 10 [****+****-] 1
54 2 26 LYS HA 2 26 LYS QD 2.592 . 3.340 4.008 3.929 4.104 0.764 5 10 [****+****-] 1
55 1 26 LYS HA 1 29 ASP QB 2.324 . 2.733 2.649 2.505 2.762 0.029 5 0 "[ . 1]" 1
56 2 26 LYS HA 2 29 ASP QB 2.324 . 2.733 2.648 2.496 2.764 0.031 5 0 "[ . 1]" 1
57 1 26 LYS HA 1 26 LYS QG 2.241 . 2.869 2.471 2.419 2.546 . 0 0 "[ . 1]" 1
58 2 26 LYS HA 2 26 LYS QG 2.241 . 2.869 2.472 2.417 2.548 . 0 0 "[ . 1]" 1
59 1 26 LYS HA 1 26 LYS QB 1.819 . 2.233 2.372 2.349 2.392 0.159 8 0 "[ . 1]" 1
60 2 26 LYS HA 2 26 LYS QB 1.819 . 2.233 2.373 2.351 2.391 0.158 8 0 "[ . 1]" 1
61 1 26 LYS QB 1 26 LYS QG 1.967 . 2.410 2.080 2.073 2.087 . 0 0 "[ . 1]" 1
62 2 26 LYS QB 2 26 LYS QG 1.967 . 2.410 2.080 2.074 2.085 . 0 0 "[ . 1]" 1
63 1 26 LYS QB 1 26 LYS QE 2.735 . 3.670 3.545 3.455 3.613 . 0 0 "[ . 1]" 1
64 2 26 LYS QB 2 26 LYS QE 2.735 . 3.670 3.545 3.456 3.611 . 0 0 "[ . 1]" 1
65 1 26 LYS QB 1 26 LYS QD 2.081 . 2.622 2.097 2.057 2.128 . 0 0 "[ . 1]" 1
66 2 26 LYS QB 2 26 LYS QD 2.081 . 2.622 2.097 2.058 2.125 . 0 0 "[ . 1]" 1
67 1 26 LYS QD 1 26 LYS QG . . 1.853 2.089 2.083 2.093 0.240 8 0 "[ . 1]" 1
68 2 26 LYS QD 2 26 LYS QG . . 1.853 2.089 2.081 2.093 0.240 8 0 "[ . 1]" 1
69 1 26 LYS QD 1 26 LYS QE 1.890 . 2.122 2.048 1.999 2.086 . 0 0 "[ . 1]" 1
70 2 26 LYS QD 2 26 LYS QE 1.890 . 2.122 2.048 2.000 2.088 . 0 0 "[ . 1]" 1
71 1 26 LYS QE 1 26 LYS QG 2.417 . 3.147 2.198 2.134 2.298 . 0 0 "[ . 1]" 1
72 2 26 LYS QE 2 26 LYS QG 2.417 . 3.147 2.198 2.136 2.297 . 0 0 "[ . 1]" 1
73 1 28 LEU HA 1 28 LEU MD1 2.861 . 3.884 3.913 3.900 3.921 0.037 7 0 "[ . 1]" 1
74 2 28 LEU HA 2 28 LEU MD1 2.861 . 3.884 3.914 3.902 3.923 0.039 3 0 "[ . 1]" 1
75 1 29 ASP HA 1 29 ASP QB 2.081 . 2.582 2.381 2.366 2.387 . 0 0 "[ . 1]" 1
76 2 29 ASP HA 2 29 ASP QB 2.081 . 2.582 2.380 2.367 2.388 . 0 0 "[ . 1]" 1
77 1 30 SER HA 1 30 SER QB 2.094 . 2.635 2.365 2.258 2.487 . 0 0 "[ . 1]" 1
78 2 30 SER HA 2 30 SER QB 2.094 . 2.635 2.365 2.259 2.486 . 0 0 "[ . 1]" 1
79 1 36 ASP QB 1 39 ARG QB 2.802 . 3.463 8.238 7.685 8.759 5.296 2 10 [*+**-*****] 1
80 2 36 ASP QB 2 39 ARG QB 2.802 . 3.463 8.036 7.682 8.230 4.767 8 10 [****-**+**] 1
81 1 37 ASP HA 1 40 LEU QB 2.535 . 2.911 4.738 4.542 5.008 2.097 1 10 [+**-******] 1
82 2 37 ASP HA 2 40 LEU QB 2.535 . 2.911 4.742 4.552 5.015 2.104 1 10 [+**-******] 1
83 1 37 ASP HA 1 37 ASP QB 1.953 . 2.430 2.362 2.325 2.428 . 0 0 "[ . 1]" 1
84 2 37 ASP HA 2 37 ASP QB 1.953 . 2.430 2.362 2.322 2.424 . 0 0 "[ . 1]" 1
85 1 38 ASP HA 1 38 ASP QB 2.055 . 2.569 2.431 2.395 2.457 . 0 0 "[ . 1]" 1
86 2 38 ASP HA 2 38 ASP QB 2.055 . 2.569 2.430 2.395 2.459 . 0 0 "[ . 1]" 1
87 1 37 ASP QB 1 38 ASP HA 2.728 . 3.658 4.728 3.973 5.136 1.478 3 9 "[*-+***** *]" 1
88 2 37 ASP QB 2 38 ASP HA 2.728 . 3.658 4.730 3.978 5.135 1.477 3 9 "[*-+***** *]" 1
89 1 38 ASP HA 1 41 ASN QB 2.391 . 3.105 2.657 2.439 2.898 . 0 0 "[ . 1]" 1
90 2 38 ASP HA 2 41 ASN QB 2.391 . 3.105 2.654 2.433 2.902 . 0 0 "[ . 1]" 1
91 1 39 ARG HA 1 39 ARG QB 2.559 . 3.283 2.313 2.177 2.393 . 0 0 "[ . 1]" 1
92 2 39 ARG HA 2 39 ARG QB 2.559 . 3.283 2.312 2.175 2.393 . 0 0 "[ . 1]" 1
93 1 41 ASN HA 1 41 ASN QB 2.316 . 2.844 2.250 2.226 2.271 . 0 0 "[ . 1]" 1
94 2 41 ASN HA 2 41 ASN QB 2.316 . 2.844 2.251 2.228 2.273 . 0 0 "[ . 1]" 1
95 1 41 ASN HA 1 44 ILE QG 2.761 . 3.714 4.627 4.589 4.664 0.950 6 10 [*****+*-**] 1
96 2 41 ASN HA 2 44 ILE QG 2.761 . 3.714 4.627 4.592 4.663 0.949 2 10 [*+*****-**] 1
97 1 41 ASN HA 1 44 ILE MG 2.717 . 3.377 3.272 3.170 3.388 0.011 8 0 "[ . 1]" 1
98 2 41 ASN HA 2 44 ILE MG 2.717 . 3.377 3.269 3.166 3.388 0.011 8 0 "[ . 1]" 1
99 1 41 ASN QB 1 44 ILE HB 2.978 . 4.086 4.875 4.845 4.906 0.820 3 10 [*-+*******] 1
100 2 41 ASN QB 2 44 ILE HB 2.978 . 4.086 4.874 4.847 4.902 0.816 3 10 [*-+*******] 1
101 1 42 LYS HA 1 42 LYS QB 2.043 . 2.551 2.390 2.339 2.443 . 0 0 "[ . 1]" 1
102 2 42 LYS HA 2 42 LYS QB 2.043 . 2.551 2.389 2.338 2.443 . 0 0 "[ . 1]" 1
103 1 44 ILE HA 1 44 ILE QG 2.550 . 3.271 2.567 2.530 2.599 . 0 0 "[ . 1]" 1
104 2 44 ILE HA 2 44 ILE QG 2.550 . 3.271 2.566 2.528 2.597 . 0 0 "[ . 1]" 1
105 1 44 ILE HA 1 47 LEU QB 2.603 . 2.985 2.882 2.492 3.748 0.763 9 1 "[ . +1]" 1
106 2 44 ILE HA 2 47 LEU QB 2.603 . 2.985 2.879 2.489 3.743 0.758 9 1 "[ . +1]" 1
107 1 44 ILE HA 1 44 ILE MG 2.073 . 2.601 2.339 2.293 2.383 . 0 0 "[ . 1]" 1
108 2 44 ILE HA 2 44 ILE MG 2.073 . 2.601 2.339 2.295 2.380 . 0 0 "[ . 1]" 1
109 1 44 ILE HB 1 44 ILE QG 2.505 . 3.023 2.328 2.314 2.337 . 0 0 "[ . 1]" 1
110 2 44 ILE HB 2 44 ILE QG 2.505 . 3.023 2.329 2.315 2.339 . 0 0 "[ . 1]" 1
111 1 44 ILE HB 1 44 ILE MG 1.994 . 2.247 2.130 2.126 2.132 . 0 0 "[ . 1]" 1
112 2 44 ILE HB 2 44 ILE MG 1.994 . 2.247 2.130 2.127 2.132 . 0 0 "[ . 1]" 1
113 1 44 ILE QG 1 44 ILE MG 2.447 . 2.475 2.112 2.102 2.123 . 0 0 "[ . 1]" 1
114 2 44 ILE QG 2 44 ILE MG 2.447 . 2.475 2.113 2.104 2.119 . 0 0 "[ . 1]" 1
115 1 8 TYR QB 1 44 ILE QG 2.155 . 2.735 7.735 7.449 7.948 5.213 10 10 [****-****+] 1
116 2 8 TYR QB 2 44 ILE QG 2.155 . 2.735 7.738 7.450 7.952 5.217 10 10 [****-****+] 1
117 1 44 ILE MG 1 45 SER HA 2.630 . 3.494 5.450 5.425 5.470 1.976 2 10 [*+***-****] 1
118 2 44 ILE MG 2 45 SER HA 2.630 . 3.494 5.451 5.431 5.470 1.976 2 10 [*+***-****] 1
119 1 45 SER HA 1 48 ASN QB 2.774 . 3.273 2.794 2.671 2.989 . 0 0 "[ . 1]" 1
120 2 45 SER HA 2 48 ASN QB 2.774 . 3.273 2.792 2.673 2.985 . 0 0 "[ . 1]" 1
121 1 46 GLU HA 1 46 GLU QB 2.094 . 2.612 2.371 2.182 2.428 . 0 0 "[ . 1]" 1
122 2 46 GLU HA 2 46 GLU QB 2.094 . 2.612 2.371 2.182 2.430 . 0 0 "[ . 1]" 1
123 1 43 VAL HA 1 46 GLU QB 2.783 . 3.751 2.609 2.316 3.647 . 0 0 "[ . 1]" 1
124 2 43 VAL HA 2 46 GLU QB 2.783 . 3.751 2.607 2.323 3.646 . 0 0 "[ . 1]" 1
125 1 47 LEU HA 1 47 LEU QB 2.468 . 3.229 2.342 2.154 2.467 . 0 0 "[ . 1]" 1
126 2 47 LEU HA 2 47 LEU QB 2.468 . 3.229 2.342 2.154 2.468 . 0 0 "[ . 1]" 1
127 1 48 ASN HA 1 48 ASN QB 2.534 . 3.337 2.407 2.358 2.458 . 0 0 "[ . 1]" 1
128 2 48 ASN HA 2 48 ASN QB 2.534 . 3.337 2.407 2.359 2.456 . 0 0 "[ . 1]" 1
129 1 44 ILE MG 1 48 ASN QB 3.049 . 3.610 6.270 6.130 6.519 2.909 2 10 [*+*-******] 1
130 2 44 ILE MG 2 48 ASN QB 3.049 . 3.610 6.271 6.131 6.517 2.907 2 10 [*+*-******] 1
131 1 53 GLU HA 2 56 ILE MG 2.518 . 2.683 12.891 12.715 13.008 10.325 10 10 [-********+] 1
132 1 56 ILE MG 2 53 GLU HA 2.518 . 2.683 12.891 12.713 13.004 10.321 10 10 [-********+] 1
133 1 54 ASP HA 1 54 ASP QB 2.617 . 3.094 2.253 2.216 2.345 . 0 0 "[ . 1]" 1
134 2 54 ASP HA 2 54 ASP QB 2.617 . 3.094 2.253 2.216 2.346 . 0 0 "[ . 1]" 1
135 1 55 VAL HA 1 58 GLN QB 2.725 . 3.653 3.966 3.124 4.148 0.495 5 0 "[ . 1]" 1
136 2 55 VAL HA 2 58 GLN QB 2.725 . 3.653 3.775 3.072 4.150 0.497 5 0 "[ . 1]" 1
137 1 56 ILE HA 1 56 ILE QG 2.481 . 3.250 2.769 2.590 3.103 . 0 0 "[ . 1]" 1
138 2 56 ILE HA 2 56 ILE QG 2.481 . 3.250 2.768 2.588 3.098 . 0 0 "[ . 1]" 1
139 1 56 ILE HA 1 56 ILE MG 2.007 . 2.510 2.264 2.229 2.301 . 0 0 "[ . 1]" 1
140 2 56 ILE HA 2 56 ILE MG 2.007 . 2.510 2.265 2.227 2.305 . 0 0 "[ . 1]" 1
141 1 56 ILE HB 1 56 ILE QG 2.234 . 2.858 2.291 2.179 2.362 . 0 0 "[ . 1]" 1
142 2 56 ILE HB 2 56 ILE QG 2.234 . 2.858 2.291 2.179 2.360 . 0 0 "[ . 1]" 1
143 1 56 ILE HB 1 56 ILE MG 1.857 . 2.288 2.118 2.111 2.123 . 0 0 "[ . 1]" 1
144 2 56 ILE HB 2 56 ILE MG 1.857 . 2.288 2.118 2.111 2.125 . 0 0 "[ . 1]" 1
145 1 56 ILE QG 2 56 ILE MG 2.218 . 2.489 11.455 11.135 11.730 9.241 6 10 [****-+****] 1
146 1 56 ILE QG 1 56 ILE MG 2.244 . 2.855 2.156 2.097 2.287 . 0 0 "[ . 1]" 1
147 2 56 ILE QG 2 56 ILE MG 2.244 . 2.855 2.157 2.098 2.283 . 0 0 "[ . 1]" 1
148 1 56 ILE MG 1 57 ALA HA 2.481 . 3.044 5.546 5.469 5.609 2.565 6 10 [-****+****] 1
149 2 56 ILE MG 2 57 ALA HA 2.481 . 3.044 5.546 5.471 5.605 2.561 6 10 [-****+****] 1
150 1 58 GLN HA 1 58 GLN QB 2.236 . 2.616 2.182 2.159 2.353 . 0 0 "[ . 1]" 1
151 2 58 GLN HA 2 58 GLN QB 2.236 . 2.616 2.218 2.158 2.352 . 0 0 "[ . 1]" 1
152 1 63 LEU HA 1 63 LEU QB 2.257 . 2.850 2.406 2.337 2.529 . 0 0 "[ . 1]" 1
153 2 63 LEU HA 2 63 LEU QB 2.257 . 2.850 2.407 2.339 2.529 . 0 0 "[ . 1]" 1
154 1 10 LEU QB 1 10 LEU HG 2.472 . 3.236 2.376 2.344 2.390 . 0 0 "[ . 1]" 1
155 2 10 LEU QB 2 10 LEU HG 2.472 . 3.236 2.376 2.342 2.389 . 0 0 "[ . 1]" 1
156 1 65 SER HA 1 65 SER QB 2.027 . 2.538 2.236 2.149 2.384 . 0 0 "[ . 1]" 1
157 2 65 SER HA 2 65 SER QB 2.027 . 2.538 2.315 2.170 2.396 . 0 0 "[ . 1]" 1
158 1 6 ALA HA 1 9 LEU QB 3.053 . 4.218 1.937 1.807 2.033 0.081 9 0 "[ . 1]" 1
159 2 6 ALA HA 2 9 LEU QB 3.053 . 4.218 1.939 1.812 2.030 0.076 9 0 "[ . 1]" 1
160 1 8 TYR H 1 8 TYR QB 2.675 . 3.323 2.802 2.751 2.829 . 0 0 "[ . 1]" 1
161 2 8 TYR H 2 8 TYR QB 2.675 . 3.323 2.803 2.755 2.832 . 0 0 "[ . 1]" 1
162 1 9 LEU QB 1 10 LEU H 3.133 . 4.360 2.439 2.406 2.499 . 0 0 "[ . 1]" 1
163 2 9 LEU QB 2 10 LEU H 3.133 . 4.360 2.440 2.406 2.497 . 0 0 "[ . 1]" 1
164 1 12 ALA MB 1 13 LEU H 2.337 . 3.019 2.588 2.516 2.647 . 0 0 "[ . 1]" 1
165 2 12 ALA MB 2 13 LEU H 2.337 . 3.019 2.587 2.520 2.648 . 0 0 "[ . 1]" 1
166 1 12 ALA H 1 12 ALA MB 1.909 . 2.365 2.236 2.230 2.242 . 0 0 "[ . 1]" 1
167 2 12 ALA H 2 12 ALA MB 1.909 . 2.365 2.237 2.230 2.246 . 0 0 "[ . 1]" 1
168 1 13 LEU H 1 13 LEU QB 2.730 . 3.309 2.445 2.417 2.481 . 0 0 "[ . 1]" 1
169 2 13 LEU H 2 13 LEU QB 2.730 . 3.309 2.519 2.479 2.540 . 0 0 "[ . 1]" 1
170 1 15 GLY H 1 15 GLY QA 2.543 . 2.706 2.221 2.195 2.308 . 0 0 "[ . 1]" 1
171 2 15 GLY H 2 15 GLY QA 2.543 . 2.706 2.222 2.196 2.309 . 0 0 "[ . 1]" 1
172 1 17 SER H 1 17 SER QB 2.754 . 3.650 2.446 2.316 2.904 . 0 0 "[ . 1]" 1
173 2 17 SER H 2 17 SER QB 2.754 . 3.650 2.446 2.317 2.906 . 0 0 "[ . 1]" 1
174 1 22 LYS HA 1 23 ASP H 2.485 . 3.257 3.294 3.262 3.322 0.065 1 0 "[ . 1]" 1
175 2 22 LYS HA 2 23 ASP H 2.485 . 3.257 3.294 3.259 3.324 0.067 1 0 "[ . 1]" 1
176 1 22 LYS QB 1 23 ASP H 2.478 . 2.985 3.598 3.567 3.643 0.658 5 10 [-***+*****] 1
177 2 22 LYS QB 2 23 ASP H 2.478 . 2.985 2.921 2.876 3.004 0.019 5 0 "[ . 1]" 1
178 1 22 LYS H 1 22 LYS QB 2.800 . 2.997 2.484 2.434 2.541 . 0 0 "[ . 1]" 1
179 2 22 LYS H 2 22 LYS QB 2.800 . 2.997 2.453 2.421 2.492 . 0 0 "[ . 1]" 1
180 1 22 LYS QB 1 23 ASP HA 2.780 . 3.746 2.224 1.703 2.776 0.111 5 0 "[ . 1]" 1
181 2 22 LYS QB 2 23 ASP HA 2.780 . 3.746 2.215 1.704 2.748 0.110 5 0 "[ . 1]" 1
182 1 23 ASP H 1 23 ASP HA 2.874 . 3.907 2.674 2.653 2.698 . 0 0 "[ . 1]" 1
183 2 23 ASP H 2 23 ASP HA 2.874 . 3.907 2.676 2.654 2.701 . 0 0 "[ . 1]" 1
184 1 23 ASP H 1 23 ASP QB 2.490 . 2.975 2.460 2.203 2.560 . 0 0 "[ . 1]" 1
185 2 23 ASP H 2 23 ASP QB 2.490 . 2.975 2.460 2.210 2.557 . 0 0 "[ . 1]" 1
186 1 23 ASP QB 1 24 ILE H 2.526 . 3.159 2.461 2.358 2.552 . 0 0 "[ . 1]" 1
187 2 23 ASP QB 2 24 ILE H 2.526 . 3.159 2.463 2.367 2.547 . 0 0 "[ . 1]" 1
188 1 26 LYS H 1 26 LYS QB 1.840 . 2.263 2.503 2.470 2.556 0.293 3 0 "[ . 1]" 1
189 2 26 LYS H 2 26 LYS QB 1.840 . 2.263 2.504 2.471 2.555 0.292 3 0 "[ . 1]" 1
190 1 26 LYS QB 1 27 ILE H 2.370 . 3.072 2.448 2.321 2.540 . 0 0 "[ . 1]" 1
191 2 26 LYS QB 2 27 ILE H 2.370 . 3.072 2.450 2.322 2.549 . 0 0 "[ . 1]" 1
192 1 26 LYS H 1 26 LYS QG 2.983 . 3.802 2.121 2.013 2.183 . 0 0 "[ . 1]" 1
193 2 26 LYS H 2 26 LYS QG 2.983 . 3.802 2.122 2.005 2.183 . 0 0 "[ . 1]" 1
194 1 28 LEU HA 2 10 LEU QD 2.230 . 2.852 10.179 10.080 10.264 7.412 4 10 [***+****-*] 1
195 1 10 LEU QD 2 28 LEU HA 2.230 . 2.852 10.174 10.097 10.252 7.400 4 10 [***+****-*] 1
196 1 29 ASP HA 1 32 GLY H 2.813 . 3.802 3.344 3.278 3.431 . 0 0 "[ . 1]" 1
197 2 29 ASP HA 2 32 GLY H 2.813 . 3.802 3.344 3.272 3.437 . 0 0 "[ . 1]" 1
198 1 36 ASP H 1 36 ASP QB 2.998 . 3.646 2.704 2.566 2.957 . 0 0 "[ . 1]" 1
199 2 36 ASP H 2 36 ASP QB 2.998 . 3.646 2.739 2.554 2.953 . 0 0 "[ . 1]" 1
200 1 37 ASP H 1 37 ASP QB 2.832 . 3.810 2.424 2.246 2.550 . 0 0 "[ . 1]" 1
201 2 37 ASP H 2 37 ASP QB 2.832 . 3.810 2.425 2.251 2.544 . 0 0 "[ . 1]" 1
202 1 37 ASP QB 1 38 ASP H 2.430 . 3.168 3.233 2.122 3.858 0.690 5 2 "[ - + 1]" 1
203 2 37 ASP QB 2 38 ASP H 2.430 . 3.168 3.232 2.120 3.860 0.692 5 2 "[ - + 1]" 1
204 1 38 ASP H 1 38 ASP QB 2.333 . 2.596 2.335 2.221 2.489 . 0 0 "[ . 1]" 1
205 2 38 ASP H 2 38 ASP QB 2.333 . 2.596 2.335 2.218 2.481 . 0 0 "[ . 1]" 1
206 1 38 ASP QB 1 39 ARG H 2.450 . 3.200 2.345 2.155 2.527 . 0 0 "[ . 1]" 1
207 2 38 ASP QB 2 39 ARG H 2.450 . 3.200 2.345 2.152 2.529 . 0 0 "[ . 1]" 1
208 1 39 ARG H 1 39 ARG QB 2.435 . 3.086 2.363 2.264 2.463 . 0 0 "[ . 1]" 1
209 2 39 ARG H 2 39 ARG QB 2.435 . 3.086 2.359 2.260 2.461 . 0 0 "[ . 1]" 1
210 1 40 LEU H 1 40 LEU QB 2.486 . 3.069 2.220 2.201 2.245 . 0 0 "[ . 1]" 1
211 2 40 LEU H 2 40 LEU QB 2.486 . 3.069 2.218 2.197 2.239 . 0 0 "[ . 1]" 1
212 1 41 ASN QB 1 42 LYS H 2.233 . 2.857 2.450 2.403 2.520 . 0 0 "[ . 1]" 1
213 2 41 ASN QB 2 42 LYS H 2.233 . 2.857 2.451 2.408 2.510 . 0 0 "[ . 1]" 1
214 1 41 ASN H 1 41 ASN QB 2.501 . 3.176 2.124 2.088 2.167 . 0 0 "[ . 1]" 1
215 2 41 ASN H 2 41 ASN QB 2.501 . 3.176 2.124 2.089 2.167 . 0 0 "[ . 1]" 1
216 1 44 ILE H 1 44 ILE MG 2.625 . 3.585 2.084 2.001 2.129 . 0 0 "[ . 1]" 1
217 2 44 ILE H 2 44 ILE MG 2.625 . 3.585 2.081 1.995 2.124 . 0 0 "[ . 1]" 1
218 1 44 ILE MG 1 45 SER H 2.595 . 3.437 3.814 3.767 3.836 0.399 4 0 "[ . 1]" 1
219 2 44 ILE MG 2 45 SER H 2.595 . 3.437 3.813 3.762 3.836 0.399 4 0 "[ . 1]" 1
220 1 46 GLU QB 1 47 LEU H 2.587 . 3.424 2.778 2.650 3.590 0.166 6 0 "[ . 1]" 1
221 2 46 GLU QB 2 47 LEU H 2.587 . 3.424 2.773 2.633 3.594 0.170 6 0 "[ . 1]" 1
222 1 46 GLU H 1 46 GLU QB 2.341 . 2.838 2.234 2.187 2.432 . 0 0 "[ . 1]" 1
223 2 46 GLU H 2 46 GLU QB 2.341 . 2.838 2.232 2.183 2.435 . 0 0 "[ . 1]" 1
224 1 47 LEU H 1 47 LEU HA 2.689 . 3.593 2.713 2.695 2.750 . 0 0 "[ . 1]" 1
225 2 47 LEU H 2 47 LEU HA 2.689 . 3.593 2.713 2.695 2.750 . 0 0 "[ . 1]" 1
226 1 47 LEU QB 1 48 ASN H 2.730 . 3.661 2.558 2.206 3.452 . 0 0 "[ . 1]" 1
227 2 47 LEU QB 2 48 ASN H 2.730 . 3.661 2.557 2.215 3.448 . 0 0 "[ . 1]" 1
228 1 47 LEU H 1 47 LEU QB 3.259 . 4.587 2.187 2.050 2.574 . 0 0 "[ . 1]" 1
229 2 47 LEU H 2 47 LEU QB 3.259 . 4.587 2.187 2.050 2.574 . 0 0 "[ . 1]" 1
230 1 48 ASN H 1 48 ASN QB 2.431 . 3.170 2.330 2.278 2.413 . 0 0 "[ . 1]" 1
231 2 48 ASN H 2 48 ASN QB 2.431 . 3.170 2.328 2.273 2.406 . 0 0 "[ . 1]" 1
232 1 52 ILE H 1 52 ILE HA 2.625 . 3.486 2.873 2.742 2.910 . 0 0 "[ . 1]" 1
233 2 52 ILE H 2 52 ILE HA 2.625 . 3.486 2.872 2.740 2.908 . 0 0 "[ . 1]" 1
234 1 54 ASP H 1 54 ASP QB 2.298 . 2.958 2.765 2.531 2.858 . 0 0 "[ . 1]" 1
235 2 54 ASP H 2 54 ASP QB 2.298 . 2.958 2.763 2.530 2.863 . 0 0 "[ . 1]" 1
236 1 56 ILE HB 2 56 ILE MG 2.222 . 2.839 13.360 13.083 13.497 10.658 6 10 [-****+****] 1
237 1 56 ILE MG 2 56 ILE HB 2.222 . 2.839 13.359 13.083 13.501 10.662 6 10 [-****+****] 1
238 1 56 ILE H 1 56 ILE QG 2.897 . 3.741 4.044 3.945 4.087 0.346 3 0 "[ . 1]" 1
239 2 56 ILE H 2 56 ILE QG 2.897 . 3.741 4.043 3.939 4.086 0.345 3 0 "[ . 1]" 1
240 1 58 GLN H 1 58 GLN HA 3.146 . 4.383 2.706 2.703 2.709 . 0 0 "[ . 1]" 1
241 2 58 GLN H 2 58 GLN HA 3.146 . 4.383 2.706 2.703 2.708 . 0 0 "[ . 1]" 1
242 1 58 GLN H 1 58 GLN QB 2.587 . 3.270 2.452 2.300 2.484 . 0 0 "[ . 1]" 1
243 2 58 GLN H 2 58 GLN QB 2.587 . 3.270 2.424 2.302 2.481 . 0 0 "[ . 1]" 1
244 1 56 ILE MG 1 57 ALA H 2.616 . 3.471 4.017 3.929 4.058 0.587 6 9 "[ ****+***-]" 1
245 2 56 ILE MG 2 57 ALA H 2.616 . 3.471 4.016 3.930 4.054 0.583 6 9 "[ ****+***-]" 1
246 1 56 ILE MG 2 56 ILE H 3.609 . 5.500 12.728 12.588 12.867 7.367 4 10 [-**+******] 1
247 1 56 ILE H 2 56 ILE MG 3.609 . 5.500 12.726 12.584 12.861 7.361 4 10 [-**+******] 1
248 1 63 LEU H 1 63 LEU QB 2.767 . 3.335 2.636 2.367 3.329 . 0 0 "[ . 1]" 1
249 2 63 LEU H 2 63 LEU QB 2.767 . 3.335 2.636 2.361 3.329 . 0 0 "[ . 1]" 1
250 1 63 LEU QB 1 64 ALA H 2.436 . 3.178 3.569 3.002 3.951 0.773 5 4 "[ **+ - 1]" 1
251 2 63 LEU QB 2 64 ALA H 2.436 . 3.178 3.569 3.011 3.948 0.770 5 4 "[ **+ - 1]" 1
252 1 10 LEU QD 2 10 LEU HG 3.848 . 4.202 5.490 5.161 5.756 1.554 3 10 [**+*-*****] 1
253 1 10 LEU HG 2 10 LEU QD 3.848 . 4.202 5.490 5.161 5.754 1.552 3 10 [**+*-*****] 1
254 1 10 LEU QD 2 27 ILE HA 3.430 . 5.047 12.784 12.707 12.886 7.839 3 10 [*-+*******] 1
255 1 27 ILE HA 2 10 LEU QD 3.430 . 5.047 12.789 12.697 12.900 7.853 3 10 [*-+*******] 1
256 1 56 ILE QG 2 56 ILE MG 3.501 . 5.033 12.858 12.496 13.166 8.133 6 10 [****-+****] 1
257 1 56 ILE MG 2 56 ILE QG 3.501 . 5.033 12.857 12.500 13.167 8.134 6 10 [****-+****] 1
258 1 57 ALA HA 2 56 ILE MG 3.725 . 5.460 10.508 10.406 10.581 5.121 8 10 [-******+**] 1
259 1 56 ILE MG 2 57 ALA HA 3.725 . 5.460 10.506 10.406 10.583 5.123 8 10 [-******+**] 1
260 1 56 ILE MG 2 56 ILE HA 3.528 . 5.084 13.467 13.306 13.633 8.549 4 10 [-**+******] 1
261 1 56 ILE HA 2 56 ILE MG 3.528 . 5.084 13.467 13.302 13.635 8.551 4 10 [-**+******] 1
262 1 56 ILE MG 2 56 ILE MG 2.458 . 3.213 12.501 12.299 12.599 9.386 4 10 [-**+******] 1
263 1 4 TYR H 1 4 TYR QB 2.854 . 3.872 2.636 2.140 3.042 . 0 0 "[ . 1]" 1
264 2 4 TYR H 2 4 TYR QB 2.854 . 3.872 2.637 2.139 3.033 . 0 0 "[ . 1]" 1
265 1 7 SER H 2 10 LEU QD 3.164 . 4.415 3.320 3.210 3.469 . 0 0 "[ . 1]" 1
266 1 10 LEU QD 2 7 SER H 3.164 . 4.415 3.315 3.220 3.453 . 0 0 "[ . 1]" 1
267 1 8 TYR QB 1 9 LEU H 3.373 . 4.026 3.234 3.204 3.271 . 0 0 "[ . 1]" 1
268 2 8 TYR QB 2 9 LEU H 3.373 . 4.026 3.234 3.203 3.277 . 0 0 "[ . 1]" 1
269 1 9 LEU H 1 9 LEU QB 3.018 . 3.387 2.230 2.217 2.247 . 0 0 "[ . 1]" 1
270 2 9 LEU H 2 9 LEU QB 3.018 . 3.387 2.232 2.216 2.248 . 0 0 "[ . 1]" 1
271 1 10 LEU H 1 10 LEU QB 2.417 . 3.147 2.142 2.120 2.163 . 0 0 "[ . 1]" 1
272 2 10 LEU H 2 10 LEU QB 2.417 . 3.147 2.142 2.115 2.169 . 0 0 "[ . 1]" 1
273 1 9 LEU HA 1 12 ALA H 2.707 . 3.623 3.265 3.245 3.280 . 0 0 "[ . 1]" 1
274 2 9 LEU HA 2 12 ALA H 2.707 . 3.623 3.264 3.244 3.281 . 0 0 "[ . 1]" 1
275 1 12 ALA MB 1 13 LEU H 2.596 . 3.439 2.235 2.195 2.276 . 0 0 "[ . 1]" 1
276 2 12 ALA MB 2 13 LEU H 2.596 . 3.439 2.272 2.251 2.289 . 0 0 "[ . 1]" 1
277 1 13 LEU QB 1 14 GLY H 2.738 . 3.675 3.420 3.390 3.449 . 0 0 "[ . 1]" 1
278 2 13 LEU QB 2 14 GLY H 2.738 . 3.675 2.621 2.568 2.674 . 0 0 "[ . 1]" 1
279 1 14 GLY H 1 15 GLY QA 3.336 . 4.727 4.306 4.257 4.344 . 0 0 "[ . 1]" 1
280 2 14 GLY H 2 15 GLY QA 3.336 . 4.727 4.309 4.256 4.345 . 0 0 "[ . 1]" 1
281 1 15 GLY QA 1 16 ASN H 2.933 . 3.593 2.876 2.819 2.914 . 0 0 "[ . 1]" 1
282 2 15 GLY QA 2 16 ASN H 2.933 . 3.593 2.878 2.818 2.919 . 0 0 "[ . 1]" 1
283 1 18 SER H 1 18 SER QB 3.388 . 3.753 2.516 2.226 2.611 . 0 0 "[ . 1]" 1
284 2 18 SER H 2 18 SER QB 3.388 . 3.753 2.518 2.224 2.609 . 0 0 "[ . 1]" 1
285 1 17 SER QB 1 18 SER H 3.623 . 5.264 3.902 3.518 4.033 . 0 0 "[ . 1]" 1
286 2 17 SER QB 2 18 SER H 3.623 . 5.264 3.901 3.514 4.030 . 0 0 "[ . 1]" 1
287 1 20 SER QB 1 21 ALA H 2.968 . 3.647 3.168 2.924 3.388 . 0 0 "[ . 1]" 1
288 2 20 SER QB 2 21 ALA H 2.968 . 3.647 3.170 2.921 3.389 . 0 0 "[ . 1]" 1
289 1 20 SER QB 1 22 LYS H 3.038 . 4.192 5.344 5.156 5.490 1.298 6 10 [**-**+****] 1
290 2 20 SER QB 2 22 LYS H 3.038 . 4.192 5.349 5.152 5.494 1.302 6 10 [**-**+****] 1
291 1 21 ALA HA 1 24 ILE H 2.815 . 3.806 4.018 3.967 4.134 0.328 4 0 "[ . 1]" 1
292 2 21 ALA HA 2 24 ILE H 2.815 . 3.806 4.016 3.963 4.113 0.307 4 0 "[ . 1]" 1
293 1 21 ALA HA 1 25 LYS H 2.536 . 3.340 3.170 3.087 3.250 . 0 0 "[ . 1]" 1
294 2 21 ALA HA 2 25 LYS H 2.536 . 3.340 3.169 3.084 3.249 . 0 0 "[ . 1]" 1
295 1 25 LYS HA 1 28 LEU H 2.934 . 4.010 3.142 3.105 3.179 . 0 0 "[ . 1]" 1
296 2 25 LYS HA 2 28 LEU H 2.934 . 4.010 3.142 3.106 3.180 . 0 0 "[ . 1]" 1
297 1 29 ASP H 1 29 ASP QB 2.641 . 3.154 2.432 2.412 2.489 . 0 0 "[ . 1]" 1
298 2 29 ASP H 2 29 ASP QB 2.641 . 3.154 2.433 2.414 2.491 . 0 0 "[ . 1]" 1
299 1 29 ASP QB 1 30 SER H 2.847 . 3.163 2.543 2.431 2.654 . 0 0 "[ . 1]" 1
300 2 29 ASP QB 2 30 SER H 2.847 . 3.163 2.544 2.434 2.651 . 0 0 "[ . 1]" 1
301 1 30 SER H 1 30 SER QB 2.243 . 2.872 2.224 2.157 2.321 . 0 0 "[ . 1]" 1
302 2 30 SER H 2 30 SER QB 2.243 . 2.872 2.227 2.161 2.320 . 0 0 "[ . 1]" 1
303 1 30 SER QB 1 31 VAL H 2.954 . 4.045 2.773 2.601 2.964 . 0 0 "[ . 1]" 1
304 2 30 SER QB 2 31 VAL H 2.954 . 4.045 2.776 2.593 2.975 . 0 0 "[ . 1]" 1
305 1 29 ASP HA 1 32 GLY H 2.367 . 3.067 3.125 3.083 3.183 0.116 10 0 "[ . 1]" 1
306 2 29 ASP HA 2 32 GLY H 2.367 . 3.067 3.125 3.084 3.184 0.117 10 0 "[ . 1]" 1
307 1 38 ASP H 1 39 ARG QB 3.258 . 4.585 4.735 4.011 5.216 0.631 10 4 "[ *.*- +]" 1
308 2 38 ASP H 2 39 ARG QB 3.258 . 4.585 4.734 4.004 5.228 0.643 4 4 "[ +.*- *]" 1
309 1 38 ASP H 1 39 ARG QB 3.201 . 4.482 4.321 3.712 4.626 0.144 7 0 "[ . 1]" 1
310 2 38 ASP H 2 39 ARG QB 3.201 . 4.482 4.321 3.706 4.624 0.142 7 0 "[ . 1]" 1
311 1 40 LEU QB 1 41 ASN H 2.750 . 3.695 2.656 2.504 2.884 . 0 0 "[ . 1]" 1
312 2 40 LEU QB 2 41 ASN H 2.750 . 3.695 2.656 2.505 2.880 . 0 0 "[ . 1]" 1
313 1 42 LYS H 1 42 LYS QB 2.172 . 2.762 2.377 2.253 2.579 . 0 0 "[ . 1]" 1
314 2 42 LYS H 2 42 LYS QB 2.172 . 2.762 2.376 2.249 2.583 . 0 0 "[ . 1]" 1
315 1 42 LYS QB 1 43 VAL H 2.717 . 3.639 2.756 2.632 2.838 . 0 0 "[ . 1]" 1
316 2 42 LYS QB 2 43 VAL H 2.717 . 3.639 2.754 2.634 2.839 . 0 0 "[ . 1]" 1
317 1 44 ILE H 1 44 ILE QG 2.684 . 3.519 4.058 4.052 4.066 0.547 10 10 [******-**+] 1
318 2 44 ILE H 2 44 ILE QG 2.684 . 3.519 4.058 4.049 4.065 0.546 10 10 [******-**+] 1
319 1 43 VAL HA 1 44 ILE H 2.650 . 3.527 2.701 2.688 2.710 . 0 0 "[ . 1]" 1
320 2 43 VAL HA 2 44 ILE H 2.650 . 3.527 2.701 2.688 2.710 . 0 0 "[ . 1]" 1
321 1 44 ILE QG 1 45 SER H 3.286 . 4.422 4.041 3.991 4.084 . 0 0 "[ . 1]" 1
322 2 44 ILE QG 2 45 SER H 3.286 . 4.422 4.040 3.993 4.076 . 0 0 "[ . 1]" 1
323 1 47 LEU H 1 47 LEU QB 2.792 . 3.767 2.471 2.262 2.658 . 0 0 "[ . 1]" 1
324 2 47 LEU H 2 47 LEU QB 2.792 . 3.767 2.473 2.264 2.657 . 0 0 "[ . 1]" 1
325 1 51 ASN H 1 54 ASP QB 2.996 . 4.000 9.354 9.046 9.742 5.742 10 10 [********-+] 1
326 2 51 ASN H 2 54 ASP QB 2.996 . 4.000 9.352 9.041 9.737 5.737 10 10 [********-+] 1
327 1 51 ASN QB 1 54 ASP H 2.576 . 3.405 2.760 2.529 2.852 . 0 0 "[ . 1]" 1
328 2 51 ASN QB 2 54 ASP H 2.576 . 3.405 2.759 2.528 2.857 . 0 0 "[ . 1]" 1
329 1 58 GLN H 1 58 GLN QB 2.461 . 3.218 2.496 2.378 2.527 . 0 0 "[ . 1]" 1
330 2 58 GLN H 2 58 GLN QB 2.461 . 3.218 2.476 2.380 2.523 . 0 0 "[ . 1]" 1
331 1 58 GLN QB 1 59 GLY H 3.364 . 4.727 3.622 3.056 3.721 . 0 0 "[ . 1]" 1
332 2 58 GLN QB 2 59 GLY H 3.364 . 4.727 3.498 3.058 3.712 . 0 0 "[ . 1]" 1
333 1 56 ILE MG 1 61 GLY H 3.308 . 4.676 7.144 6.963 7.394 2.718 1 10 [+**-******] 1
334 2 56 ILE MG 2 61 GLY H 3.308 . 4.676 7.143 6.961 7.393 2.717 1 10 [+**-******] 1
335 1 65 SER HA 1 66 VAL H 2.798 . 3.777 2.539 2.020 2.804 . 0 0 "[ . 1]" 1
336 2 65 SER HA 2 66 VAL H 2.798 . 3.777 2.539 2.019 2.805 . 0 0 "[ . 1]" 1
337 1 7 SER H 1 7 SER QB 3.167 . 4.420 2.586 2.562 2.597 . 0 0 "[ . 1]" 1
338 2 7 SER H 2 7 SER QB 3.167 . 4.420 2.273 2.244 2.309 . 0 0 "[ . 1]" 1
339 1 7 SER QB 1 8 TYR H 3.236 . 4.545 2.198 2.181 2.216 . 0 0 "[ . 1]" 1
340 2 7 SER QB 2 8 TYR H 3.236 . 4.545 3.159 3.144 3.170 . 0 0 "[ . 1]" 1
341 1 9 LEU QB 1 10 LEU H 2.517 . 3.309 2.011 1.993 2.040 . 0 0 "[ . 1]" 1
342 2 9 LEU QB 2 10 LEU H 2.517 . 3.309 2.011 1.991 2.043 . 0 0 "[ . 1]" 1
343 1 9 LEU QB 1 12 ALA H 3.156 . 4.401 4.349 4.314 4.377 . 0 0 "[ . 1]" 1
344 2 9 LEU QB 2 12 ALA H 3.156 . 4.401 4.349 4.310 4.378 . 0 0 "[ . 1]" 1
345 1 12 ALA MB 1 14 GLY H 3.373 . 4.795 4.490 4.453 4.537 . 0 0 "[ . 1]" 1
346 2 12 ALA MB 2 14 GLY H 3.373 . 4.795 4.490 4.453 4.541 . 0 0 "[ . 1]" 1
347 1 20 SER QB 1 23 ASP H 3.061 . 4.232 6.307 6.066 6.473 2.241 6 10 [**-**+****] 1
348 2 20 SER QB 2 23 ASP H 3.061 . 4.232 6.307 6.054 6.474 2.242 6 10 [**-**+****] 1
349 1 26 LYS H 1 26 LYS QD 3.308 . 4.676 3.733 3.397 3.959 . 0 0 "[ . 1]" 1
350 2 26 LYS H 2 26 LYS QD 3.308 . 4.676 3.735 3.398 3.964 . 0 0 "[ . 1]" 1
351 1 23 ASP QB 1 26 LYS H 3.260 . 4.588 4.308 4.245 4.365 . 0 0 "[ . 1]" 1
352 2 23 ASP QB 2 26 LYS H 3.260 . 4.588 4.309 4.247 4.368 . 0 0 "[ . 1]" 1
353 1 26 LYS QG 1 27 ILE H 3.426 . 4.894 4.018 3.909 4.137 . 0 0 "[ . 1]" 1
354 2 26 LYS QG 2 27 ILE H 3.426 . 4.894 4.020 3.913 4.137 . 0 0 "[ . 1]" 1
355 1 28 LEU H 1 28 LEU MD1 3.170 . 4.426 3.348 3.316 3.375 . 0 0 "[ . 1]" 1
356 2 28 LEU H 2 28 LEU MD1 3.170 . 4.426 3.349 3.313 3.378 . 0 0 "[ . 1]" 1
357 1 29 ASP H 1 30 SER QB 3.549 . 5.123 4.362 4.228 4.535 . 0 0 "[ . 1]" 1
358 2 29 ASP H 2 30 SER QB 3.549 . 5.123 4.367 4.235 4.529 . 0 0 "[ . 1]" 1
359 1 29 ASP QB 1 31 VAL H 3.571 . 5.165 4.608 4.459 4.757 . 0 0 "[ . 1]" 1
360 2 29 ASP QB 2 31 VAL H 3.571 . 5.165 4.608 4.455 4.751 . 0 0 "[ . 1]" 1
361 1 29 ASP QB 1 32 GLY H 3.313 . 4.685 4.794 4.705 4.914 0.229 10 0 "[ . 1]" 1
362 2 29 ASP QB 2 32 GLY H 3.313 . 4.685 4.794 4.710 4.921 0.236 10 0 "[ . 1]" 1
363 1 30 SER QB 1 32 GLY H 3.319 . 4.696 4.783 4.655 4.887 0.191 5 0 "[ . 1]" 1
364 2 30 SER QB 2 32 GLY H 3.319 . 4.696 4.785 4.660 4.885 0.189 5 0 "[ . 1]" 1
365 1 36 ASP QB 1 37 ASP H 3.451 . 4.940 3.261 2.974 3.738 . 0 0 "[ . 1]" 1
366 2 36 ASP QB 2 37 ASP H 3.451 . 4.940 3.076 2.531 3.388 . 0 0 "[ . 1]" 1
367 1 36 ASP QB 1 38 ASP H 3.073 . 4.253 5.242 4.718 6.126 1.873 2 9 [*+**.-****] 1
368 2 36 ASP QB 2 38 ASP H 3.073 . 4.253 5.086 4.631 5.717 1.464 1 8 "[+***.- ***]" 1
369 1 36 ASP QB 1 39 ARG H 2.737 . 3.674 7.106 6.617 7.809 4.135 2 10 [*+**-*****] 1
370 2 36 ASP QB 2 39 ARG H 2.737 . 3.674 6.893 6.615 7.229 3.555 1 10 [+***-*****] 1
371 1 39 ARG QB 1 40 LEU H 2.964 . 4.062 2.614 2.157 3.307 . 0 0 "[ . 1]" 1
372 2 39 ARG QB 2 40 LEU H 2.964 . 4.062 2.614 2.151 3.306 . 0 0 "[ . 1]" 1
373 1 40 LEU QB 1 42 LYS H 3.327 . 4.710 5.095 4.998 5.207 0.497 5 0 "[ . 1]" 1
374 2 40 LEU QB 2 42 LYS H 3.327 . 4.710 5.096 5.000 5.214 0.504 5 1 "[ + 1]" 1
375 1 39 ARG HA 1 42 LYS H 2.903 . 3.956 3.583 3.487 3.693 . 0 0 "[ . 1]" 1
376 2 39 ARG HA 2 42 LYS H 2.903 . 3.956 3.584 3.483 3.692 . 0 0 "[ . 1]" 1
377 1 54 ASP QB 1 55 VAL H 2.999 . 4.124 2.610 2.505 2.752 . 0 0 "[ . 1]" 1
378 2 54 ASP QB 2 55 VAL H 2.999 . 4.124 2.610 2.511 2.748 . 0 0 "[ . 1]" 1
379 1 56 ILE H 1 56 ILE MG 3.122 . 4.340 2.254 2.149 2.338 . 0 0 "[ . 1]" 1
380 2 56 ILE H 2 56 ILE MG 3.122 . 4.340 2.253 2.145 2.334 . 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 332
_Distance_constraint_stats_list.Viol_count 411
_Distance_constraint_stats_list.Viol_total 5076.221
_Distance_constraint_stats_list.Viol_max 5.954
_Distance_constraint_stats_list.Viol_rms 0.7244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1529
_Distance_constraint_stats_list.Viol_average_violations_only 1.2351
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ARG 0.000 0.000 . 0 "[ . 1]"
1 4 TYR 3.355 0.774 8 3 "[ * . -+ 1]"
1 5 VAL 0.000 0.000 . 0 "[ . 1]"
1 6 ALA 57.778 5.921 10 10 [-********+]
1 7 SER 12.946 1.126 3 10 [**+***-***]
1 8 TYR 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 0.000 0.000 . 0 "[ . 1]"
1 10 LEU 68.029 5.923 10 10 [****-****+]
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 ALA 35.611 3.415 9 10 [********+-]
1 13 LEU 0.000 0.000 . 0 "[ . 1]"
1 14 GLY 0.000 0.000 . 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 ASN 11.711 1.599 4 10 [***+*****-]
1 17 SER 1.220 0.141 7 0 "[ . 1]"
1 18 SER 23.707 3.415 9 10 [**-*****+*]
1 21 ALA 7.331 1.010 4 10 [***+****-*]
1 22 LYS 0.000 0.000 . 0 "[ . 1]"
1 23 ASP 0.000 0.000 . 0 "[ . 1]"
1 24 ILE 8.189 1.010 4 10 [***+****-*]
1 25 LYS 0.858 0.114 6 0 "[ . 1]"
1 26 LYS 0.060 0.028 10 0 "[ . 1]"
1 27 ILE 0.000 0.000 . 0 "[ . 1]"
1 28 LEU 32.406 3.313 3 10 [**+****-**]
1 29 ASP 5.901 0.699 4 10 [***+***-**]
1 30 SER 0.000 0.000 . 0 "[ . 1]"
1 31 VAL 0.000 0.000 . 0 "[ . 1]"
1 32 GLY 0.143 0.086 1 0 "[ . 1]"
1 33 ILE 38.165 3.313 3 10 [**+****-**]
1 34 GLU 3.126 0.320 6 0 "[ . 1]"
1 35 ALA 0.000 0.000 . 0 "[ . 1]"
1 36 ASP 14.212 1.896 2 10 [*+****-***]
1 37 ASP 6.660 1.001 1 10 [+**-******]
1 38 ASP 14.212 1.896 2 10 [*+****-***]
1 39 ARG 0.000 0.000 . 0 "[ . 1]"
1 40 LEU 6.660 1.001 1 10 [+**-******]
1 41 ASN 0.000 0.000 . 0 "[ . 1]"
1 42 LYS 2.288 0.360 8 0 "[ . 1]"
1 43 VAL 0.411 0.065 2 0 "[ . 1]"
1 44 ILE 2.278 0.360 8 0 "[ . 1]"
1 45 SER 0.411 0.065 2 0 "[ . 1]"
1 46 GLU 0.000 0.000 . 0 "[ . 1]"
1 47 LEU 0.000 0.000 . 0 "[ . 1]"
1 48 ASN 0.000 0.000 . 0 "[ . 1]"
1 49 GLY 0.000 0.000 . 0 "[ . 1]"
1 50 LYS 0.000 0.000 . 0 "[ . 1]"
1 51 ASN 0.000 0.000 . 0 "[ . 1]"
1 52 ILE 14.825 1.604 3 10 [*-+*******]
1 53 GLU 72.208 5.954 8 10 [*-*****+**]
1 54 ASP 0.270 0.085 1 0 "[ . 1]"
1 55 VAL 0.000 0.000 . 0 "[ . 1]"
1 56 ILE 0.087 0.057 9 0 "[ . 1]"
1 57 ALA 57.576 5.948 8 10 [***-***+**]
1 58 GLN 0.000 0.000 . 0 "[ . 1]"
1 59 GLY 0.000 0.000 . 0 "[ . 1]"
1 63 LEU 0.000 0.000 . 0 "[ . 1]"
1 65 SER 0.000 0.000 . 0 "[ . 1]"
1 66 VAL 0.000 0.000 . 0 "[ . 1]"
2 3 ARG 0.000 0.000 . 0 "[ . 1]"
2 4 TYR 3.352 0.774 8 3 "[ * . -+ 1]"
2 5 VAL 0.000 0.000 . 0 "[ . 1]"
2 6 ALA 57.799 5.923 10 10 [-********+]
2 7 SER 12.881 1.121 3 10 [**+***-***]
2 8 TYR 0.000 0.000 . 0 "[ . 1]"
2 9 LEU 0.000 0.000 . 0 "[ . 1]"
2 10 LEU 68.073 5.921 10 10 [****-****+]
2 11 ALA 0.000 0.000 . 0 "[ . 1]"
2 12 ALA 35.665 3.418 9 10 [********+-]
2 13 LEU 0.000 0.000 . 0 "[ . 1]"
2 14 GLY 0.000 0.000 . 0 "[ . 1]"
2 15 GLY 0.000 0.000 . 0 "[ . 1]"
2 16 ASN 11.743 1.605 4 10 [***+*****-]
2 17 SER 1.220 0.140 7 0 "[ . 1]"
2 18 SER 23.746 3.418 9 10 [**-*****+*]
2 21 ALA 7.338 0.990 4 10 [**-+******]
2 22 LYS 0.000 0.000 . 0 "[ . 1]"
2 23 ASP 0.000 0.000 . 0 "[ . 1]"
2 24 ILE 8.185 0.990 4 10 [**-+******]
2 25 LYS 0.846 0.113 6 0 "[ . 1]"
2 26 LYS 0.063 0.031 10 0 "[ . 1]"
2 27 ILE 0.000 0.000 . 0 "[ . 1]"
2 28 LEU 32.389 3.310 3 10 [**+****-**]
2 29 ASP 5.899 0.690 4 9 "[-**+*** **]"
2 30 SER 0.004 0.004 10 0 "[ . 1]"
2 31 VAL 0.000 0.000 . 0 "[ . 1]"
2 32 GLY 0.147 0.079 1 0 "[ . 1]"
2 33 ILE 38.145 3.310 3 10 [-*+*******]
2 34 GLU 3.131 0.322 7 0 "[ . 1]"
2 35 ALA 0.000 0.000 . 0 "[ . 1]"
2 36 ASP 14.164 1.891 2 10 [*+****-***]
2 37 ASP 6.688 1.009 1 10 [+**-******]
2 38 ASP 14.164 1.891 2 10 [*+****-***]
2 39 ARG 0.000 0.000 . 0 "[ . 1]"
2 40 LEU 6.688 1.009 1 10 [+**-******]
2 41 ASN 0.000 0.000 . 0 "[ . 1]"
2 42 LYS 2.303 0.353 8 0 "[ . 1]"
2 43 VAL 0.416 0.071 6 0 "[ . 1]"
2 44 ILE 2.296 0.353 8 0 "[ . 1]"
2 45 SER 0.416 0.071 6 0 "[ . 1]"
2 46 GLU 0.000 0.000 . 0 "[ . 1]"
2 47 LEU 0.000 0.000 . 0 "[ . 1]"
2 48 ASN 0.000 0.000 . 0 "[ . 1]"
2 49 GLY 0.000 0.000 . 0 "[ . 1]"
2 50 LYS 0.000 0.000 . 0 "[ . 1]"
2 51 ASN 0.000 0.000 . 0 "[ . 1]"
2 52 ILE 14.822 1.604 3 10 [*-+*******]
2 53 GLU 72.221 5.948 8 10 [*-*****+**]
2 54 ASP 0.271 0.089 1 0 "[ . 1]"
2 55 VAL 0.000 0.000 . 0 "[ . 1]"
2 56 ILE 0.093 0.054 9 0 "[ . 1]"
2 57 ALA 57.568 5.954 8 10 [***-***+**]
2 58 GLN 0.000 0.000 . 0 "[ . 1]"
2 59 GLY 0.000 0.000 . 0 "[ . 1]"
2 63 LEU 0.000 0.000 . 0 "[ . 1]"
2 65 SER 0.000 0.000 . 0 "[ . 1]"
2 66 VAL 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 10 LEU HA 1 10 LEU HG 2.463 . 3.221 2.430 2.378 2.518 . 0 0 "[ . 1]" 2
2 2 10 LEU HA 2 10 LEU HG 2.463 . 3.221 2.431 2.381 2.516 . 0 0 "[ . 1]" 2
3 1 24 ILE HA 1 25 LYS HA 3.221 . 4.820 4.906 4.886 4.934 0.114 6 0 "[ . 1]" 2
4 2 24 ILE HA 2 25 LYS HA 3.221 . 4.820 4.905 4.888 4.933 0.113 6 0 "[ . 1]" 2
5 1 41 ASN HA 1 44 ILE HB 2.365 . 3.064 2.997 2.971 3.023 . 0 0 "[ . 1]" 2
6 2 41 ASN HA 2 44 ILE HB 2.365 . 3.064 2.996 2.970 3.021 . 0 0 "[ . 1]" 2
7 1 44 ILE HA 1 44 ILE HB 2.346 . 3.034 3.027 3.021 3.032 . 0 0 "[ . 1]" 2
8 2 44 ILE HA 2 44 ILE HB 2.346 . 3.034 3.027 3.020 3.032 . 0 0 "[ . 1]" 2
9 1 53 GLU HA 1 56 ILE HB 2.328 . 3.005 2.930 2.713 3.062 0.057 9 0 "[ . 1]" 2
10 2 53 GLU HA 2 56 ILE HB 2.328 . 3.005 2.931 2.705 3.059 0.054 9 0 "[ . 1]" 2
11 1 56 ILE HA 1 56 ILE HB 2.427 . 3.163 3.010 2.999 3.017 . 0 0 "[ . 1]" 2
12 2 56 ILE HA 2 56 ILE HB 2.427 . 3.163 3.010 3.001 3.016 . 0 0 "[ . 1]" 2
13 1 57 ALA HA 2 53 GLU HA 2.645 . 3.520 9.251 9.081 9.468 5.948 8 10 [***-***+**] 2
14 1 53 GLU HA 2 57 ALA HA 2.645 . 3.520 9.250 9.075 9.474 5.954 8 10 [***-***+**] 2
15 1 10 LEU HG 2 7 SER HA 2.954 . 4.045 4.998 4.807 5.166 1.121 3 10 [**+*-*****] 2
16 1 7 SER HA 2 10 LEU HG 2.954 . 4.045 5.004 4.819 5.171 1.126 3 10 [**+*-*****] 2
17 1 9 LEU H 1 9 LEU HA 2.571 . 3.397 2.776 2.771 2.783 . 0 0 "[ . 1]" 2
18 2 9 LEU H 2 9 LEU HA 2.571 . 3.397 2.777 2.770 2.784 . 0 0 "[ . 1]" 2
19 1 10 LEU H 1 10 LEU HA 2.705 . 3.620 2.788 2.782 2.795 . 0 0 "[ . 1]" 2
20 2 10 LEU H 2 10 LEU HA 2.705 . 3.620 2.789 2.783 2.795 . 0 0 "[ . 1]" 2
21 1 11 ALA HA 1 12 ALA H 3.282 . 4.628 3.566 3.563 3.569 . 0 0 "[ . 1]" 2
22 2 11 ALA HA 2 12 ALA H 3.282 . 4.628 3.565 3.560 3.569 . 0 0 "[ . 1]" 2
23 1 12 ALA H 1 12 ALA HA 2.664 . 3.363 2.804 2.792 2.820 . 0 0 "[ . 1]" 2
24 2 12 ALA H 2 12 ALA HA 2.664 . 3.363 2.804 2.791 2.821 . 0 0 "[ . 1]" 2
25 1 13 LEU HA 1 14 GLY H 3.236 . 4.129 3.512 3.499 3.521 . 0 0 "[ . 1]" 2
26 2 13 LEU HA 2 14 GLY H 3.236 . 4.129 3.512 3.499 3.521 . 0 0 "[ . 1]" 2
27 1 13 LEU H 1 13 LEU HA 2.643 . 3.516 2.822 2.810 2.829 . 0 0 "[ . 1]" 2
28 2 13 LEU H 2 13 LEU HA 2.643 . 3.516 2.821 2.810 2.830 . 0 0 "[ . 1]" 2
29 1 21 ALA HA 1 24 ILE H 3.286 . 3.981 4.714 4.613 4.991 1.010 4 10 [***+****-*] 2
30 2 21 ALA HA 2 24 ILE H 3.286 . 3.981 4.715 4.608 4.971 0.990 4 10 [**-+******] 2
31 1 24 ILE H 1 24 ILE HA 2.483 . 3.254 2.805 2.790 2.822 . 0 0 "[ . 1]" 2
32 2 24 ILE H 2 24 ILE HA 2.483 . 3.254 2.806 2.785 2.826 . 0 0 "[ . 1]" 2
33 1 25 LYS H 1 25 LYS HA 2.214 . 2.827 2.755 2.743 2.767 . 0 0 "[ . 1]" 2
34 2 25 LYS H 2 25 LYS HA 2.214 . 2.827 2.755 2.742 2.769 . 0 0 "[ . 1]" 2
35 1 26 LYS H 1 26 LYS HA 2.177 . 2.769 2.773 2.762 2.797 0.028 10 0 "[ . 1]" 2
36 2 26 LYS H 2 26 LYS HA 2.177 . 2.769 2.772 2.759 2.800 0.031 10 0 "[ . 1]" 2
37 1 27 ILE H 1 27 ILE HA 2.711 . 3.334 2.803 2.776 2.833 . 0 0 "[ . 1]" 2
38 2 27 ILE H 2 27 ILE HA 2.711 . 3.334 2.804 2.780 2.833 . 0 0 "[ . 1]" 2
39 1 30 SER H 1 30 SER HA 2.304 . 2.967 2.800 2.785 2.814 . 0 0 "[ . 1]" 2
40 2 30 SER H 2 30 SER HA 2.304 . 2.967 2.801 2.788 2.817 . 0 0 "[ . 1]" 2
41 1 31 VAL H 1 31 VAL HA 2.674 . 3.495 2.817 2.788 2.844 . 0 0 "[ . 1]" 2
42 2 31 VAL H 2 31 VAL HA 2.674 . 3.495 2.817 2.786 2.846 . 0 0 "[ . 1]" 2
43 1 32 GLY H 1 33 ILE H 2.630 . 3.494 2.157 2.018 2.237 . 0 0 "[ . 1]" 2
44 2 32 GLY H 2 33 ILE H 2.630 . 3.494 2.158 2.019 2.234 . 0 0 "[ . 1]" 2
45 1 34 GLU HA 1 35 ALA H 2.305 . 2.969 2.185 2.098 2.305 . 0 0 "[ . 1]" 2
46 2 34 GLU HA 2 35 ALA H 2.305 . 2.969 2.187 2.104 2.310 . 0 0 "[ . 1]" 2
47 1 34 GLU H 1 34 GLU HA . . 2.636 2.949 2.941 2.956 0.320 6 0 "[ . 1]" 2
48 2 34 GLU H 2 34 GLU HA . . 2.636 2.949 2.939 2.958 0.322 7 0 "[ . 1]" 2
49 1 38 ASP H 1 38 ASP HA 2.938 . 3.296 2.796 2.708 2.943 . 0 0 "[ . 1]" 2
50 2 38 ASP H 2 38 ASP HA 2.938 . 3.296 2.794 2.703 2.944 . 0 0 "[ . 1]" 2
51 1 39 ARG H 1 39 ARG HA 2.828 . 3.407 2.817 2.798 2.857 . 0 0 "[ . 1]" 2
52 2 39 ARG H 2 39 ARG HA 2.828 . 3.407 2.816 2.795 2.858 . 0 0 "[ . 1]" 2
53 1 42 LYS H 1 42 LYS HA 2.206 . 2.814 2.810 2.803 2.820 0.006 4 0 "[ . 1]" 2
54 2 42 LYS H 2 42 LYS HA 2.206 . 2.814 2.809 2.801 2.817 0.003 4 0 "[ . 1]" 2
55 1 43 VAL H 1 43 VAL HA 2.599 . 3.443 2.813 2.792 2.826 . 0 0 "[ . 1]" 2
56 2 43 VAL H 2 43 VAL HA 2.599 . 3.443 2.813 2.793 2.826 . 0 0 "[ . 1]" 2
57 1 44 ILE H 1 44 ILE HB 2.532 . 3.333 2.481 2.439 2.528 . 0 0 "[ . 1]" 2
58 2 44 ILE H 2 44 ILE HB 2.532 . 3.333 2.482 2.438 2.532 . 0 0 "[ . 1]" 2
59 1 44 ILE HB 1 45 SER H 2.599 . 3.443 2.527 2.482 2.573 . 0 0 "[ . 1]" 2
60 2 44 ILE HB 2 45 SER H 2.599 . 3.443 2.526 2.480 2.566 . 0 0 "[ . 1]" 2
61 1 47 LEU H 1 48 ASN H 2.878 . 3.284 2.683 2.500 2.794 . 0 0 "[ . 1]" 2
62 2 47 LEU H 2 48 ASN H 2.878 . 3.284 2.685 2.503 2.795 . 0 0 "[ . 1]" 2
63 1 46 GLU H 1 46 GLU HA 2.455 . 3.109 2.826 2.817 2.836 . 0 0 "[ . 1]" 2
64 2 46 GLU H 2 46 GLU HA 2.455 . 3.109 2.826 2.812 2.836 . 0 0 "[ . 1]" 2
65 1 52 ILE H 1 53 GLU H 2.338 . 3.021 4.504 4.214 4.625 1.604 3 10 [*-+*******] 2
66 2 52 ILE H 2 53 GLU H 2.338 . 3.021 4.503 4.213 4.625 1.604 3 10 [*-+*******] 2
67 1 53 GLU H 1 53 GLU HA 2.542 . 3.349 2.777 2.724 2.812 . 0 0 "[ . 1]" 2
68 2 53 GLU H 2 53 GLU HA 2.542 . 3.349 2.777 2.724 2.812 . 0 0 "[ . 1]" 2
69 1 54 ASP H 1 54 ASP HA 2.730 . 3.662 2.804 2.775 2.824 . 0 0 "[ . 1]" 2
70 2 54 ASP H 2 54 ASP HA 2.730 . 3.662 2.805 2.775 2.827 . 0 0 "[ . 1]" 2
71 1 55 VAL H 1 55 VAL HA 2.600 . 3.445 2.819 2.796 2.852 . 0 0 "[ . 1]" 2
72 2 55 VAL H 2 55 VAL HA 2.600 . 3.445 2.820 2.797 2.853 . 0 0 "[ . 1]" 2
73 1 56 ILE H 1 56 ILE HA 2.550 . 3.363 2.798 2.784 2.818 . 0 0 "[ . 1]" 2
74 2 56 ILE H 2 56 ILE HA 2.550 . 3.363 2.798 2.785 2.814 . 0 0 "[ . 1]" 2
75 1 56 ILE H 1 56 ILE HB 2.608 . 3.458 2.380 2.330 2.431 . 0 0 "[ . 1]" 2
76 2 56 ILE H 2 56 ILE HB 2.608 . 3.458 2.380 2.326 2.432 . 0 0 "[ . 1]" 2
77 1 56 ILE HB 1 57 ALA H 2.855 . 3.486 2.840 2.672 2.926 . 0 0 "[ . 1]" 2
78 2 56 ILE HB 2 57 ALA H 2.855 . 3.486 2.839 2.676 2.929 . 0 0 "[ . 1]" 2
79 1 57 ALA H 1 57 ALA HA 2.551 . 3.364 2.789 2.764 2.824 . 0 0 "[ . 1]" 2
80 2 57 ALA H 2 57 ALA HA 2.551 . 3.364 2.789 2.762 2.824 . 0 0 "[ . 1]" 2
81 1 63 LEU H 1 63 LEU HA 2.841 . 3.850 2.782 2.259 2.949 . 0 0 "[ . 1]" 2
82 2 63 LEU H 2 63 LEU HA 2.841 . 3.850 2.781 2.263 2.947 . 0 0 "[ . 1]" 2
83 1 4 TYR H 1 5 VAL H 2.897 . 3.946 2.594 2.143 3.078 . 0 0 "[ . 1]" 2
84 2 4 TYR H 2 5 VAL H 2.897 . 3.946 2.593 2.141 3.079 . 0 0 "[ . 1]" 2
85 1 6 ALA H 1 7 SER H 3.148 . 4.387 2.591 2.471 2.711 . 0 0 "[ . 1]" 2
86 2 6 ALA H 2 7 SER H 3.148 . 4.387 2.591 2.468 2.711 . 0 0 "[ . 1]" 2
87 1 6 ALA H 1 6 ALA HA 2.810 . 3.797 2.818 2.784 2.851 . 0 0 "[ . 1]" 2
88 2 6 ALA H 2 6 ALA HA 2.810 . 3.797 2.818 2.780 2.852 . 0 0 "[ . 1]" 2
89 1 5 VAL H 1 6 ALA H 3.007 . 4.137 2.324 2.118 2.484 . 0 0 "[ . 1]" 2
90 2 5 VAL H 2 6 ALA H 3.007 . 4.137 2.324 2.111 2.481 . 0 0 "[ . 1]" 2
91 1 7 SER H 1 7 SER HA 2.749 . 3.694 2.783 2.772 2.798 . 0 0 "[ . 1]" 2
92 2 7 SER H 2 7 SER HA 2.749 . 3.694 2.784 2.772 2.801 . 0 0 "[ . 1]" 2
93 1 4 TYR HA 1 7 SER H 3.092 . 4.287 4.574 3.871 5.061 0.774 8 3 "[ * . -+ 1]" 2
94 2 4 TYR HA 2 7 SER H 3.092 . 4.287 4.573 3.869 5.061 0.774 8 3 "[ * . -+ 1]" 2
95 1 7 SER HA 1 8 TYR H 3.211 . 4.500 3.558 3.551 3.565 . 0 0 "[ . 1]" 2
96 2 7 SER HA 2 8 TYR H 3.211 . 4.500 3.560 3.555 3.566 . 0 0 "[ . 1]" 2
97 1 7 SER H 1 8 TYR H 3.210 . 4.498 2.859 2.816 2.906 . 0 0 "[ . 1]" 2
98 2 7 SER H 2 8 TYR H 3.210 . 4.498 2.857 2.807 2.901 . 0 0 "[ . 1]" 2
99 1 9 LEU H 1 10 LEU H 3.233 . 4.540 2.809 2.786 2.839 . 0 0 "[ . 1]" 2
100 2 9 LEU H 2 10 LEU H 3.233 . 4.540 2.810 2.796 2.826 . 0 0 "[ . 1]" 2
101 1 10 LEU H 1 12 ALA H 3.095 . 4.292 4.309 4.277 4.347 0.055 1 0 "[ . 1]" 2
102 2 10 LEU H 2 12 ALA H 3.095 . 4.292 4.308 4.287 4.346 0.054 5 0 "[ . 1]" 2
103 1 10 LEU H 1 11 ALA H 2.987 . 4.102 2.897 2.863 2.941 . 0 0 "[ . 1]" 2
104 2 10 LEU H 2 11 ALA H 2.987 . 4.102 2.894 2.851 2.938 . 0 0 "[ . 1]" 2
105 1 10 LEU H 2 6 ALA HA 2.823 . 3.819 9.599 9.428 9.742 5.923 10 10 [-********+] 2
106 1 6 ALA HA 2 10 LEU H 2.823 . 3.819 9.597 9.423 9.740 5.921 10 10 [-********+] 2
107 1 11 ALA H 1 12 ALA H 2.950 . 3.410 2.988 2.962 3.017 . 0 0 "[ . 1]" 2
108 2 11 ALA H 2 12 ALA H 2.950 . 3.410 2.986 2.954 3.014 . 0 0 "[ . 1]" 2
109 1 12 ALA H 1 13 LEU H 2.764 . 3.719 2.690 2.639 2.726 . 0 0 "[ . 1]" 2
110 2 12 ALA H 2 13 LEU H 2.764 . 3.719 2.691 2.641 2.741 . 0 0 "[ . 1]" 2
111 1 12 ALA H 1 14 GLY H 3.142 . 4.376 4.130 4.094 4.185 . 0 0 "[ . 1]" 2
112 2 12 ALA H 2 14 GLY H 3.142 . 4.376 4.131 4.096 4.189 . 0 0 "[ . 1]" 2
113 1 12 ALA HA 1 13 LEU H 3.437 . 4.914 3.542 3.528 3.552 . 0 0 "[ . 1]" 2
114 2 12 ALA HA 2 13 LEU H 3.437 . 4.914 3.543 3.526 3.554 . 0 0 "[ . 1]" 2
115 1 13 LEU H 1 14 GLY H 3.280 . 3.699 2.614 2.580 2.657 . 0 0 "[ . 1]" 2
116 2 13 LEU H 2 14 GLY H 3.280 . 3.699 2.614 2.581 2.655 . 0 0 "[ . 1]" 2
117 1 11 ALA HA 1 13 LEU H 3.278 . 4.621 4.400 4.368 4.450 . 0 0 "[ . 1]" 2
118 2 11 ALA HA 2 13 LEU H 3.278 . 4.621 4.400 4.368 4.445 . 0 0 "[ . 1]" 2
119 1 14 GLY H 1 15 GLY H 2.943 . 3.872 2.403 2.358 2.466 . 0 0 "[ . 1]" 2
120 2 14 GLY H 2 15 GLY H 2.943 . 3.872 2.406 2.357 2.460 . 0 0 "[ . 1]" 2
121 1 14 GLY H 1 16 ASN H 3.059 . 4.229 4.118 4.001 4.178 . 0 0 "[ . 1]" 2
122 2 14 GLY H 2 16 ASN H 3.059 . 4.229 4.122 4.000 4.187 . 0 0 "[ . 1]" 2
123 1 17 SER H 1 18 SER H 3.300 . 5.000 3.970 3.611 4.323 . 0 0 "[ . 1]" 2
124 2 17 SER H 2 18 SER H 3.300 . 5.000 3.970 3.593 4.317 . 0 0 "[ . 1]" 2
125 1 17 SER H 1 17 SER HA 2.336 . 2.800 2.922 2.907 2.941 0.141 7 0 "[ . 1]" 2
126 2 17 SER H 2 17 SER HA 2.336 . 2.800 2.922 2.907 2.940 0.140 7 0 "[ . 1]" 2
127 1 12 ALA HA 1 18 SER H 3.692 . 5.396 7.767 6.952 8.811 3.415 9 10 [**-*****+*] 2
128 2 12 ALA HA 2 18 SER H 3.692 . 5.396 7.771 6.945 8.814 3.418 9 10 [**-*****+*] 2
129 1 21 ALA H 1 22 LYS H 3.602 . 5.224 4.550 4.497 4.582 . 0 0 "[ . 1]" 2
130 2 21 ALA H 2 22 LYS H 3.602 . 5.224 4.552 4.508 4.581 . 0 0 "[ . 1]" 2
131 1 21 ALA H 1 21 ALA HA 2.929 . 3.463 2.892 2.852 2.927 . 0 0 "[ . 1]" 2
132 2 21 ALA H 2 21 ALA HA 2.929 . 3.463 2.892 2.844 2.933 . 0 0 "[ . 1]" 2
133 1 22 LYS H 1 22 LYS HA 2.624 . 3.485 2.809 2.798 2.823 . 0 0 "[ . 1]" 2
134 2 22 LYS H 2 22 LYS HA 2.624 . 3.485 2.811 2.800 2.824 . 0 0 "[ . 1]" 2
135 1 22 LYS H 1 23 ASP H 2.819 . 3.797 2.661 2.610 2.742 . 0 0 "[ . 1]" 2
136 2 22 LYS H 2 23 ASP H 2.819 . 3.797 2.652 2.611 2.727 . 0 0 "[ . 1]" 2
137 1 23 ASP H 1 24 ILE H 2.335 . 3.017 2.576 2.485 2.645 . 0 0 "[ . 1]" 2
138 2 23 ASP H 2 24 ILE H 2.335 . 3.017 2.577 2.487 2.643 . 0 0 "[ . 1]" 2
139 1 23 ASP H 1 23 ASP HA 2.310 . 2.977 2.838 2.819 2.851 . 0 0 "[ . 1]" 2
140 2 23 ASP H 2 23 ASP HA 2.310 . 2.977 2.839 2.819 2.855 . 0 0 "[ . 1]" 2
141 1 22 LYS HA 1 23 ASP H 2.692 . 3.598 3.477 3.455 3.502 . 0 0 "[ . 1]" 2
142 2 22 LYS HA 2 23 ASP H 2.692 . 3.598 3.478 3.454 3.509 . 0 0 "[ . 1]" 2
143 1 23 ASP HA 1 24 ILE H 2.962 . 3.989 3.516 3.504 3.526 . 0 0 "[ . 1]" 2
144 2 23 ASP HA 2 24 ILE H 2.962 . 3.989 3.517 3.509 3.526 . 0 0 "[ . 1]" 2
145 1 24 ILE H 1 25 LYS H 2.489 . 3.263 2.648 2.567 2.716 . 0 0 "[ . 1]" 2
146 2 24 ILE H 2 25 LYS H 2.489 . 3.263 2.647 2.560 2.721 . 0 0 "[ . 1]" 2
147 1 23 ASP HA 1 25 LYS H 3.516 . 5.061 4.389 4.319 4.463 . 0 0 "[ . 1]" 2
148 2 23 ASP HA 2 25 LYS H 3.516 . 5.061 4.394 4.320 4.460 . 0 0 "[ . 1]" 2
149 1 25 LYS H 1 26 LYS H 2.678 . 3.575 2.882 2.842 2.920 . 0 0 "[ . 1]" 2
150 2 25 LYS H 2 26 LYS H 2.678 . 3.575 2.884 2.844 2.928 . 0 0 "[ . 1]" 2
151 1 26 LYS H 1 27 ILE H 2.703 . 3.617 2.816 2.753 2.865 . 0 0 "[ . 1]" 2
152 2 26 LYS H 2 27 ILE H 2.703 . 3.617 2.818 2.745 2.860 . 0 0 "[ . 1]" 2
153 1 23 ASP HA 1 26 LYS H 3.087 . 4.278 3.271 3.175 3.348 . 0 0 "[ . 1]" 2
154 2 23 ASP HA 2 26 LYS H 3.087 . 4.278 3.276 3.184 3.353 . 0 0 "[ . 1]" 2
155 1 26 LYS HA 1 27 ILE H 3.125 . 4.345 3.552 3.538 3.566 . 0 0 "[ . 1]" 2
156 2 26 LYS HA 2 27 ILE H 3.125 . 4.345 3.553 3.537 3.569 . 0 0 "[ . 1]" 2
157 1 27 ILE H 1 28 LEU H 2.838 . 3.845 2.730 2.654 2.819 . 0 0 "[ . 1]" 2
158 2 27 ILE H 2 28 LEU H 2.838 . 3.845 2.731 2.648 2.803 . 0 0 "[ . 1]" 2
159 1 28 LEU H 1 28 LEU HA 2.976 . 4.083 2.836 2.828 2.846 . 0 0 "[ . 1]" 2
160 2 28 LEU H 2 28 LEU HA 2.976 . 4.083 2.835 2.829 2.844 . 0 0 "[ . 1]" 2
161 1 28 LEU H 1 29 ASP H 3.112 . 4.236 2.595 2.557 2.628 . 0 0 "[ . 1]" 2
162 2 28 LEU H 2 29 ASP H 3.112 . 4.236 2.597 2.562 2.628 . 0 0 "[ . 1]" 2
163 1 28 LEU HA 1 29 ASP H 3.189 . 4.460 3.531 3.514 3.565 . 0 0 "[ . 1]" 2
164 2 28 LEU HA 2 29 ASP H 3.189 . 4.460 3.531 3.517 3.564 . 0 0 "[ . 1]" 2
165 1 26 LYS HA 1 29 ASP H 3.287 . 4.442 3.663 3.543 3.817 . 0 0 "[ . 1]" 2
166 2 26 LYS HA 2 29 ASP H 3.287 . 4.442 3.665 3.542 3.818 . 0 0 "[ . 1]" 2
167 1 29 ASP H 1 30 SER H 3.037 . 3.456 2.639 2.597 2.699 . 0 0 "[ . 1]" 2
168 2 29 ASP H 2 30 SER H 3.037 . 3.456 2.641 2.594 2.697 . 0 0 "[ . 1]" 2
169 1 29 ASP H 1 29 ASP HA 2.850 . 3.705 2.825 2.818 2.834 . 0 0 "[ . 1]" 2
170 2 29 ASP H 2 29 ASP HA 2.850 . 3.705 2.825 2.815 2.833 . 0 0 "[ . 1]" 2
171 1 27 ILE HA 1 30 SER H 3.025 . 4.169 3.277 3.130 3.584 . 0 0 "[ . 1]" 2
172 2 27 ILE HA 2 30 SER H 3.025 . 4.169 3.275 3.131 3.586 . 0 0 "[ . 1]" 2
173 1 29 ASP HA 1 30 SER H 2.963 . 4.061 3.519 3.497 3.549 . 0 0 "[ . 1]" 2
174 2 29 ASP HA 2 30 SER H 2.963 . 4.061 3.518 3.497 3.549 . 0 0 "[ . 1]" 2
175 1 30 SER H 1 31 VAL H 2.574 . 3.402 2.704 2.648 2.756 . 0 0 "[ . 1]" 2
176 2 30 SER H 2 31 VAL H 2.574 . 3.402 2.704 2.646 2.755 . 0 0 "[ . 1]" 2
177 1 28 LEU HA 1 31 VAL H 3.132 . 4.358 3.216 3.152 3.330 . 0 0 "[ . 1]" 2
178 2 28 LEU HA 2 31 VAL H 3.132 . 4.358 3.214 3.147 3.319 . 0 0 "[ . 1]" 2
179 1 31 VAL H 1 32 GLY H 2.322 . 2.805 2.667 2.561 2.793 . 0 0 "[ . 1]" 2
180 2 31 VAL H 2 32 GLY H 2.322 . 2.805 2.667 2.554 2.799 . 0 0 "[ . 1]" 2
181 1 30 SER HA 1 31 VAL H 3.217 . 4.414 3.522 3.485 3.560 . 0 0 "[ . 1]" 2
182 2 30 SER HA 2 31 VAL H 3.217 . 4.414 3.523 3.487 3.556 . 0 0 "[ . 1]" 2
183 1 31 VAL H 1 33 ILE H 3.045 . 4.204 3.786 3.736 3.907 . 0 0 "[ . 1]" 2
184 2 31 VAL H 2 33 ILE H 3.045 . 4.204 3.787 3.730 3.899 . 0 0 "[ . 1]" 2
185 1 28 LEU HA 1 33 ILE H 2.537 . 3.341 6.573 6.460 6.654 3.313 3 10 [**+****-**] 2
186 2 28 LEU HA 2 33 ILE H 2.537 . 3.341 6.572 6.464 6.651 3.310 3 10 [**+****-**] 2
187 1 29 ASP HA 1 33 ILE H 2.726 . 3.655 4.239 4.159 4.354 0.699 4 10 [***+***-**] 2
188 2 29 ASP HA 2 33 ILE H 2.726 . 3.655 4.239 4.153 4.345 0.690 4 9 "[-**+*** **]" 2
189 1 33 ILE H 1 34 GLU H 3.526 . 5.080 2.382 2.263 2.539 . 0 0 "[ . 1]" 2
190 2 33 ILE H 2 34 GLU H 3.526 . 5.080 2.382 2.266 2.539 . 0 0 "[ . 1]" 2
191 1 34 GLU H 1 35 ALA H 3.399 . 4.844 4.450 4.390 4.483 . 0 0 "[ . 1]" 2
192 2 34 GLU H 2 35 ALA H 3.399 . 4.844 4.452 4.385 4.488 . 0 0 "[ . 1]" 2
193 1 37 ASP H 1 38 ASP H 3.538 . 4.970 4.444 4.339 4.571 . 0 0 "[ . 1]" 2
194 2 37 ASP H 2 38 ASP H 3.538 . 4.970 4.441 4.331 4.565 . 0 0 "[ . 1]" 2
195 1 38 ASP H 1 39 ARG H 2.564 . 3.386 2.792 2.193 3.193 . 0 0 "[ . 1]" 2
196 2 38 ASP H 2 39 ARG H 2.564 . 3.386 2.794 2.180 3.194 . 0 0 "[ . 1]" 2
197 1 37 ASP HA 1 38 ASP H 3.140 . 3.675 2.287 2.130 2.594 . 0 0 "[ . 1]" 2
198 2 37 ASP HA 2 38 ASP H 3.140 . 3.675 2.287 2.133 2.592 . 0 0 "[ . 1]" 2
199 1 39 ARG H 1 40 LEU H 2.426 . 3.162 2.750 2.544 2.866 . 0 0 "[ . 1]" 2
200 2 39 ARG H 2 40 LEU H 2.426 . 3.162 2.752 2.548 2.859 . 0 0 "[ . 1]" 2
201 1 38 ASP HA 1 39 ARG H 3.413 . 4.869 3.553 3.528 3.570 . 0 0 "[ . 1]" 2
202 2 38 ASP HA 2 39 ARG H 3.413 . 4.869 3.553 3.527 3.570 . 0 0 "[ . 1]" 2
203 1 37 ASP HA 1 40 LEU H 3.146 . 4.383 5.049 4.898 5.384 1.001 1 10 [+**-******] 2
204 2 37 ASP HA 2 40 LEU H 3.146 . 4.383 5.052 4.908 5.392 1.009 1 10 [+**-******] 2
205 1 41 ASN H 1 41 ASN HA 2.814 . 3.804 2.811 2.790 2.831 . 0 0 "[ . 1]" 2
206 2 41 ASN H 2 41 ASN HA 2.814 . 3.804 2.810 2.788 2.827 . 0 0 "[ . 1]" 2
207 1 41 ASN H 1 42 LYS H 2.733 . 3.665 2.834 2.787 2.899 . 0 0 "[ . 1]" 2
208 2 41 ASN H 2 42 LYS H 2.733 . 3.665 2.836 2.798 2.902 . 0 0 "[ . 1]" 2
209 1 41 ASN HA 1 42 LYS H 3.225 . 4.323 3.577 3.564 3.587 . 0 0 "[ . 1]" 2
210 2 41 ASN HA 2 42 LYS H 3.225 . 4.323 3.577 3.564 3.587 . 0 0 "[ . 1]" 2
211 1 42 LYS H 1 43 VAL H 2.573 . 3.401 2.659 2.619 2.710 . 0 0 "[ . 1]" 2
212 2 42 LYS H 2 43 VAL H 2.573 . 3.401 2.658 2.615 2.706 . 0 0 "[ . 1]" 2
213 1 43 VAL H 1 44 ILE H 2.770 . 3.729 2.770 2.692 2.859 . 0 0 "[ . 1]" 2
214 2 43 VAL H 2 44 ILE H 2.770 . 3.729 2.770 2.694 2.856 . 0 0 "[ . 1]" 2
215 1 41 ASN HA 1 44 ILE H 3.218 . 4.466 3.500 3.424 3.607 . 0 0 "[ . 1]" 2
216 2 41 ASN HA 2 44 ILE H 3.218 . 4.466 3.499 3.428 3.603 . 0 0 "[ . 1]" 2
217 1 44 ILE H 1 45 SER H 2.790 . 3.763 2.707 2.675 2.760 . 0 0 "[ . 1]" 2
218 2 44 ILE H 2 45 SER H 2.790 . 3.763 2.710 2.677 2.769 . 0 0 "[ . 1]" 2
219 1 42 LYS HA 1 44 ILE H 3.179 . 4.442 4.670 4.544 4.802 0.360 8 0 "[ . 1]" 2
220 2 42 LYS HA 2 44 ILE H 3.179 . 4.442 4.672 4.550 4.795 0.353 8 0 "[ . 1]" 2
221 1 45 SER H 1 45 SER HA 2.650 . 3.528 2.792 2.782 2.798 . 0 0 "[ . 1]" 2
222 2 45 SER H 2 45 SER HA 2.650 . 3.528 2.791 2.783 2.798 . 0 0 "[ . 1]" 2
223 1 43 VAL HA 1 45 SER H 3.199 . 4.478 4.519 4.495 4.543 0.065 2 0 "[ . 1]" 2
224 2 43 VAL HA 2 45 SER H 3.199 . 4.478 4.520 4.501 4.549 0.071 6 0 "[ . 1]" 2
225 1 43 VAL HA 1 46 GLU H 2.850 . 3.866 3.402 3.340 3.569 . 0 0 "[ . 1]" 2
226 2 43 VAL HA 2 46 GLU H 2.850 . 3.866 3.402 3.341 3.574 . 0 0 "[ . 1]" 2
227 1 46 GLU H 1 47 LEU H 2.300 . 2.961 2.624 2.597 2.654 . 0 0 "[ . 1]" 2
228 2 46 GLU H 2 47 LEU H 2.300 . 2.961 2.625 2.603 2.664 . 0 0 "[ . 1]" 2
229 1 44 ILE HA 1 47 LEU H 3.138 . 4.369 3.323 3.158 3.515 . 0 0 "[ . 1]" 2
230 2 44 ILE HA 2 47 LEU H 3.138 . 4.369 3.324 3.155 3.512 . 0 0 "[ . 1]" 2
231 1 46 GLU HA 1 47 LEU H 3.277 . 4.516 3.539 3.505 3.558 . 0 0 "[ . 1]" 2
232 2 46 GLU HA 2 47 LEU H 3.277 . 4.516 3.538 3.505 3.561 . 0 0 "[ . 1]" 2
233 1 47 LEU H 1 47 LEU HA 2.847 . 3.860 2.818 2.793 2.867 . 0 0 "[ . 1]" 2
234 2 47 LEU H 2 47 LEU HA 2.847 . 3.860 2.818 2.794 2.866 . 0 0 "[ . 1]" 2
235 1 47 LEU HA 1 48 ASN H 3.266 . 4.600 3.538 3.508 3.548 . 0 0 "[ . 1]" 2
236 2 47 LEU HA 2 48 ASN H 3.266 . 4.600 3.537 3.506 3.548 . 0 0 "[ . 1]" 2
237 1 48 ASN HA 1 49 GLY H 3.645 . 5.135 3.509 3.466 3.541 . 0 0 "[ . 1]" 2
238 2 48 ASN HA 2 49 GLY H 3.645 . 5.135 3.510 3.466 3.540 . 0 0 "[ . 1]" 2
239 1 49 GLY H 1 50 LYS H 3.273 . 4.612 2.542 2.471 2.652 . 0 0 "[ . 1]" 2
240 2 49 GLY H 2 50 LYS H 3.273 . 4.612 2.542 2.470 2.643 . 0 0 "[ . 1]" 2
241 1 53 GLU H 1 54 ASP H 3.034 . 3.671 2.801 2.678 3.024 . 0 0 "[ . 1]" 2
242 2 53 GLU H 2 54 ASP H 3.034 . 3.671 2.799 2.683 3.022 . 0 0 "[ . 1]" 2
243 1 53 GLU HA 1 54 ASP H 3.044 . 4.202 3.542 3.521 3.563 . 0 0 "[ . 1]" 2
244 2 53 GLU HA 2 54 ASP H 3.044 . 4.202 3.542 3.521 3.564 . 0 0 "[ . 1]" 2
245 1 54 ASP HA 1 55 VAL H 3.594 . 5.208 3.524 3.495 3.555 . 0 0 "[ . 1]" 2
246 2 54 ASP HA 2 55 VAL H 3.594 . 5.208 3.523 3.495 3.551 . 0 0 "[ . 1]" 2
247 1 55 VAL H 1 56 ILE H 2.936 . 4.014 2.736 2.601 2.808 . 0 0 "[ . 1]" 2
248 2 55 VAL H 2 56 ILE H 2.936 . 4.014 2.737 2.604 2.810 . 0 0 "[ . 1]" 2
249 1 56 ILE H 1 57 ALA H 2.728 . 3.376 2.683 2.615 2.759 . 0 0 "[ . 1]" 2
250 2 56 ILE H 2 57 ALA H 2.728 . 3.376 2.682 2.622 2.764 . 0 0 "[ . 1]" 2
251 1 56 ILE HA 1 57 ALA H 3.292 . 4.647 3.525 3.507 3.545 . 0 0 "[ . 1]" 2
252 2 56 ILE HA 2 57 ALA H 3.292 . 4.647 3.525 3.509 3.547 . 0 0 "[ . 1]" 2
253 1 54 ASP HA 1 57 ALA H 3.137 . 4.135 3.496 3.389 3.633 . 0 0 "[ . 1]" 2
254 2 54 ASP HA 2 57 ALA H 3.137 . 4.135 3.497 3.390 3.635 . 0 0 "[ . 1]" 2
255 1 54 ASP H 1 57 ALA H 3.245 . 4.561 4.585 4.531 4.646 0.085 1 0 "[ . 1]" 2
256 2 54 ASP H 2 57 ALA H 3.245 . 4.561 4.585 4.533 4.650 0.089 1 0 "[ . 1]" 2
257 1 56 ILE HA 1 58 GLN H 3.570 . 5.163 4.640 4.560 4.701 . 0 0 "[ . 1]" 2
258 2 56 ILE HA 2 58 GLN H 3.570 . 5.163 4.641 4.570 4.702 . 0 0 "[ . 1]" 2
259 1 58 GLN H 1 58 GLN HA 2.820 . 3.814 2.838 2.831 2.847 . 0 0 "[ . 1]" 2
260 2 58 GLN H 2 58 GLN HA 2.820 . 3.814 2.837 2.830 2.849 . 0 0 "[ . 1]" 2
261 1 58 GLN HA 1 59 GLY H 3.601 . 4.930 3.412 3.378 3.438 . 0 0 "[ . 1]" 2
262 2 58 GLN HA 2 59 GLY H 3.601 . 4.930 3.413 3.376 3.436 . 0 0 "[ . 1]" 2
263 1 3 ARG H 1 3 ARG HA 3.800 2.600 5.000 2.902 2.787 2.956 . 0 0 "[ . 1]" 2
264 2 3 ARG H 2 3 ARG HA 3.800 2.600 5.000 2.900 2.781 2.957 . 0 0 "[ . 1]" 2
265 1 6 ALA HA 1 7 SER H 3.593 . 5.207 3.491 3.468 3.510 . 0 0 "[ . 1]" 2
266 2 6 ALA HA 2 7 SER H 3.593 . 5.207 3.490 3.469 3.506 . 0 0 "[ . 1]" 2
267 1 5 VAL HA 1 8 TYR H 3.485 . 5.003 3.415 3.319 3.514 . 0 0 "[ . 1]" 2
268 2 5 VAL HA 2 8 TYR H 3.485 . 5.003 3.415 3.315 3.506 . 0 0 "[ . 1]" 2
269 1 6 ALA HA 1 9 LEU H 3.482 . 4.997 3.402 3.250 3.529 . 0 0 "[ . 1]" 2
270 2 6 ALA HA 2 9 LEU H 3.482 . 4.997 3.404 3.250 3.535 . 0 0 "[ . 1]" 2
271 1 10 LEU H 1 10 LEU HG 2.955 . 4.047 4.098 4.055 4.140 0.093 6 0 "[ . 1]" 2
272 2 10 LEU H 2 10 LEU HG 2.955 . 4.047 4.100 4.055 4.137 0.090 6 0 "[ . 1]" 2
273 1 9 LEU HA 1 12 ALA H 2.938 . 4.017 3.787 3.730 3.830 . 0 0 "[ . 1]" 2
274 2 9 LEU HA 2 12 ALA H 2.938 . 4.017 3.786 3.729 3.834 . 0 0 "[ . 1]" 2
275 1 11 ALA HA 1 14 GLY H 3.035 . 4.186 3.480 3.424 3.526 . 0 0 "[ . 1]" 2
276 2 11 ALA HA 2 14 GLY H 3.035 . 4.186 3.479 3.427 3.511 . 0 0 "[ . 1]" 2
277 1 13 LEU HA 1 15 GLY H 3.283 . 4.631 4.182 3.927 4.417 . 0 0 "[ . 1]" 2
278 2 13 LEU HA 2 15 GLY H 3.283 . 4.631 4.182 3.940 4.419 . 0 0 "[ . 1]" 2
279 1 12 ALA HA 1 15 GLY H 3.121 . 4.338 3.407 3.313 3.478 . 0 0 "[ . 1]" 2
280 2 12 ALA HA 2 15 GLY H 3.121 . 4.338 3.405 3.314 3.480 . 0 0 "[ . 1]" 2
281 1 12 ALA HA 1 16 ASN H 2.848 . 3.862 5.033 4.615 5.461 1.599 4 10 [***+*****-] 2
282 2 12 ALA HA 2 16 ASN H 2.848 . 3.862 5.036 4.617 5.467 1.605 4 10 [***+*****-] 2
283 1 17 SER HA 1 18 SER H 3.136 . 4.366 2.263 2.132 2.442 . 0 0 "[ . 1]" 2
284 2 17 SER HA 2 18 SER H 3.136 . 4.366 2.261 2.133 2.454 . 0 0 "[ . 1]" 2
285 1 22 LYS HA 1 24 ILE H 3.265 . 4.597 4.358 4.323 4.412 . 0 0 "[ . 1]" 2
286 2 22 LYS HA 2 24 ILE H 3.265 . 4.597 4.354 4.320 4.416 . 0 0 "[ . 1]" 2
287 1 22 LYS HA 1 25 LYS H 2.908 . 3.965 3.194 3.109 3.283 . 0 0 "[ . 1]" 2
288 2 22 LYS HA 2 25 LYS H 2.908 . 3.965 3.193 3.106 3.282 . 0 0 "[ . 1]" 2
289 1 24 ILE HA 1 25 LYS H 3.225 . 4.525 3.524 3.514 3.531 . 0 0 "[ . 1]" 2
290 2 24 ILE HA 2 25 LYS H 3.225 . 4.525 3.524 3.511 3.528 . 0 0 "[ . 1]" 2
291 1 25 LYS HA 1 26 LYS H 3.000 . 4.125 3.553 3.544 3.561 . 0 0 "[ . 1]" 2
292 2 25 LYS HA 2 26 LYS H 3.000 . 4.125 3.554 3.541 3.563 . 0 0 "[ . 1]" 2
293 1 24 ILE HA 1 27 ILE H 3.162 . 4.412 3.387 3.271 3.590 . 0 0 "[ . 1]" 2
294 2 24 ILE HA 2 27 ILE H 3.162 . 4.412 3.387 3.274 3.590 . 0 0 "[ . 1]" 2
295 1 25 LYS HA 1 28 LEU H 3.306 . 4.672 3.511 3.432 3.621 . 0 0 "[ . 1]" 2
296 2 25 LYS HA 2 28 LEU H 3.306 . 4.672 3.512 3.434 3.622 . 0 0 "[ . 1]" 2
297 1 25 LYS HA 1 29 ASP H 3.314 . 4.687 3.999 3.917 4.065 . 0 0 "[ . 1]" 2
298 2 25 LYS HA 2 29 ASP H 3.314 . 4.687 3.995 3.909 4.065 . 0 0 "[ . 1]" 2
299 1 28 LEU HA 1 32 GLY H 3.415 . 4.873 4.819 4.710 4.959 0.086 1 0 "[ . 1]" 2
300 2 28 LEU HA 2 32 GLY H 3.415 . 4.873 4.818 4.706 4.952 0.079 1 0 "[ . 1]" 2
301 1 29 ASP HA 1 32 GLY H 2.678 . 3.574 3.502 3.420 3.631 0.057 10 0 "[ . 1]" 2
302 2 29 ASP HA 2 32 GLY H 2.678 . 3.574 3.502 3.412 3.638 0.064 10 0 "[ . 1]" 2
303 1 31 VAL HA 1 32 GLY H 2.676 . 3.571 3.515 3.470 3.548 . 0 0 "[ . 1]" 2
304 2 31 VAL HA 2 32 GLY H 2.676 . 3.571 3.515 3.467 3.547 . 0 0 "[ . 1]" 2
305 1 30 SER HA 1 32 GLY H 3.112 . 4.323 4.177 3.911 4.322 . 0 0 "[ . 1]" 2
306 2 30 SER HA 2 32 GLY H 3.112 . 4.323 4.177 3.910 4.327 0.004 10 0 "[ . 1]" 2
307 1 35 ALA HA 1 36 ASP H 2.720 . 3.645 2.311 2.159 2.484 . 0 0 "[ . 1]" 2
308 2 35 ALA HA 2 36 ASP H 2.720 . 3.645 2.314 2.161 2.485 . 0 0 "[ . 1]" 2
309 1 36 ASP HA 1 37 ASP H 2.648 . 3.524 2.131 2.064 2.269 . 0 0 "[ . 1]" 2
310 2 36 ASP HA 2 37 ASP H 2.648 . 3.524 2.131 2.063 2.262 . 0 0 "[ . 1]" 2
311 1 36 ASP HA 1 38 ASP H 3.261 . 4.590 6.011 5.718 6.486 1.896 2 10 [*+****-***] 2
312 2 36 ASP HA 2 38 ASP H 3.261 . 4.590 6.006 5.712 6.481 1.891 2 10 [*+****-***] 2
313 1 40 LEU H 1 40 LEU HA 2.648 . 3.524 2.797 2.772 2.827 . 0 0 "[ . 1]" 2
314 2 40 LEU H 2 40 LEU HA 2.648 . 3.524 2.798 2.769 2.825 . 0 0 "[ . 1]" 2
315 1 40 LEU HA 1 41 ASN H 2.930 . 4.003 3.505 3.497 3.517 . 0 0 "[ . 1]" 2
316 2 40 LEU HA 2 41 ASN H 2.930 . 4.003 3.507 3.501 3.518 . 0 0 "[ . 1]" 2
317 1 43 VAL HA 1 44 ILE H 3.483 . 4.999 3.566 3.557 3.572 . 0 0 "[ . 1]" 2
318 2 43 VAL HA 2 44 ILE H 3.483 . 4.999 3.565 3.556 3.571 . 0 0 "[ . 1]" 2
319 1 44 ILE HA 1 45 SER H 3.121 . 4.339 3.523 3.504 3.532 . 0 0 "[ . 1]" 2
320 2 44 ILE HA 2 45 SER H 3.121 . 4.339 3.523 3.501 3.535 . 0 0 "[ . 1]" 2
321 1 42 LYS HA 1 45 SER H 3.347 . 4.747 3.494 3.303 3.633 . 0 0 "[ . 1]" 2
322 2 42 LYS HA 2 45 SER H 3.347 . 4.747 3.495 3.308 3.631 . 0 0 "[ . 1]" 2
323 1 45 SER HA 1 46 GLU H 3.310 . 3.554 3.519 3.505 3.536 . 0 0 "[ . 1]" 2
324 2 45 SER HA 2 46 GLU H 3.310 . 3.554 3.519 3.505 3.533 . 0 0 "[ . 1]" 2
325 1 44 ILE HA 1 46 GLU H 3.350 . 4.753 4.360 4.249 4.504 . 0 0 "[ . 1]" 2
326 2 44 ILE HA 2 46 GLU H 3.350 . 4.753 4.364 4.249 4.507 . 0 0 "[ . 1]" 2
327 1 51 ASN HA 1 52 ILE H 3.063 . 4.235 2.863 2.531 3.370 . 0 0 "[ . 1]" 2
328 2 51 ASN HA 2 52 ILE H 3.063 . 4.235 2.865 2.537 3.372 . 0 0 "[ . 1]" 2
329 1 55 VAL HA 1 56 ILE H 3.543 . 5.113 3.553 3.541 3.572 . 0 0 "[ . 1]" 2
330 2 55 VAL HA 2 56 ILE H 3.543 . 5.113 3.552 3.537 3.567 . 0 0 "[ . 1]" 2
331 1 65 SER HA 1 66 VAL H 2.885 . 3.925 3.196 2.291 3.568 . 0 0 "[ . 1]" 2
332 2 65 SER HA 2 66 VAL H 2.885 . 3.925 3.195 2.292 3.567 . 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 344
_Distance_constraint_stats_list.Viol_total 190.295
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0433
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0227
_Distance_constraint_stats_list.Viol_average_violations_only 0.0553
_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 5 VAL 0.242 0.056 6 0 "[ . 1]"
1 6 ALA 0.294 0.053 3 0 "[ . 1]"
1 7 SER 1.357 0.087 9 0 "[ . 1]"
1 8 TYR 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 1.371 0.119 8 0 "[ . 1]"
1 10 LEU 0.294 0.053 3 0 "[ . 1]"
1 11 ALA 1.357 0.087 9 0 "[ . 1]"
1 12 ALA 0.000 0.000 . 0 "[ . 1]"
1 13 LEU 1.129 0.119 8 0 "[ . 1]"
1 21 ALA 2.456 0.255 2 0 "[ . 1]"
1 22 LYS 0.100 0.046 1 0 "[ . 1]"
1 23 ASP 1.249 0.138 8 0 "[ . 1]"
1 24 ILE 0.132 0.048 3 0 "[ . 1]"
1 25 LYS 2.456 0.255 2 0 "[ . 1]"
1 26 LYS 0.166 0.046 1 0 "[ . 1]"
1 27 ILE 1.249 0.138 8 0 "[ . 1]"
1 28 LEU 0.132 0.048 3 0 "[ . 1]"
1 29 ASP 0.000 0.000 . 0 "[ . 1]"
1 30 SER 0.066 0.022 2 0 "[ . 1]"
1 38 ASP 0.527 0.279 10 0 "[ . 1]"
1 39 ARG 0.098 0.053 10 0 "[ . 1]"
1 40 LEU 0.017 0.009 8 0 "[ . 1]"
1 41 ASN 0.000 0.000 . 0 "[ . 1]"
1 42 LYS 0.569 0.279 10 0 "[ . 1]"
1 43 VAL 0.153 0.053 10 0 "[ . 1]"
1 44 ILE 0.461 0.088 2 0 "[ . 1]"
1 45 SER 0.000 0.000 . 0 "[ . 1]"
1 46 GLU 0.042 0.023 9 0 "[ . 1]"
1 47 LEU 0.055 0.029 5 0 "[ . 1]"
1 48 ASN 0.444 0.088 2 0 "[ . 1]"
1 53 GLU 0.807 0.148 6 0 "[ . 1]"
1 54 ASP 0.065 0.020 9 0 "[ . 1]"
1 55 VAL 0.393 0.086 9 0 "[ . 1]"
1 57 ALA 0.807 0.148 6 0 "[ . 1]"
1 58 GLN 0.065 0.020 9 0 "[ . 1]"
1 59 GLY 0.393 0.086 9 0 "[ . 1]"
2 5 VAL 0.236 0.059 6 0 "[ . 1]"
2 6 ALA 0.280 0.052 3 0 "[ . 1]"
2 7 SER 1.341 0.090 9 0 "[ . 1]"
2 8 TYR 0.001 0.001 10 0 "[ . 1]"
2 9 LEU 1.365 0.121 8 0 "[ . 1]"
2 10 LEU 0.280 0.052 3 0 "[ . 1]"
2 11 ALA 1.341 0.090 9 0 "[ . 1]"
2 12 ALA 0.001 0.001 10 0 "[ . 1]"
2 13 LEU 1.129 0.121 8 0 "[ . 1]"
2 21 ALA 2.512 0.264 2 0 "[ . 1]"
2 22 LYS 0.099 0.040 1 0 "[ . 1]"
2 23 ASP 1.330 0.141 8 0 "[ . 1]"
2 24 ILE 0.123 0.048 3 0 "[ . 1]"
2 25 LYS 2.512 0.264 2 0 "[ . 1]"
2 26 LYS 0.175 0.040 1 0 "[ . 1]"
2 27 ILE 1.330 0.141 8 0 "[ . 1]"
2 28 LEU 0.123 0.048 3 0 "[ . 1]"
2 29 ASP 0.000 0.000 . 0 "[ . 1]"
2 30 SER 0.076 0.020 2 0 "[ . 1]"
2 38 ASP 0.526 0.277 10 0 "[ . 1]"
2 39 ARG 0.092 0.048 10 0 "[ . 1]"
2 40 LEU 0.015 0.008 5 0 "[ . 1]"
2 41 ASN 0.000 0.000 . 0 "[ . 1]"
2 42 LYS 0.572 0.277 10 0 "[ . 1]"
2 43 VAL 0.154 0.048 10 0 "[ . 1]"
2 44 ILE 0.449 0.084 2 0 "[ . 1]"
2 45 SER 0.000 0.000 . 0 "[ . 1]"
2 46 GLU 0.046 0.031 9 0 "[ . 1]"
2 47 LEU 0.062 0.033 5 0 "[ . 1]"
2 48 ASN 0.434 0.084 2 0 "[ . 1]"
2 53 GLU 0.797 0.147 6 0 "[ . 1]"
2 54 ASP 0.070 0.019 4 0 "[ . 1]"
2 55 VAL 0.387 0.088 6 0 "[ . 1]"
2 57 ALA 0.797 0.147 6 0 "[ . 1]"
2 58 GLN 0.070 0.019 4 0 "[ . 1]"
2 59 GLY 0.387 0.088 6 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 5 VAL O 1 9 LEU N 2.800 2.700 3.000 2.741 2.680 2.835 0.020 10 0 "[ . 1]" 3
2 1 5 VAL O 1 9 LEU H 1.900 . 2.000 1.819 1.744 1.920 0.056 6 0 "[ . 1]" 3
3 2 5 VAL O 2 9 LEU N 2.800 2.700 3.000 2.742 2.682 2.837 0.018 10 0 "[ . 1]" 3
4 2 5 VAL O 2 9 LEU H 1.900 . 2.000 1.820 1.741 1.923 0.059 6 0 "[ . 1]" 3
5 1 6 ALA O 1 10 LEU N 2.800 2.700 3.000 2.721 2.698 2.742 0.002 2 0 "[ . 1]" 3
6 1 6 ALA O 1 10 LEU H 1.900 . 2.000 1.771 1.747 1.793 0.053 3 0 "[ . 1]" 3
7 2 6 ALA O 2 10 LEU N 2.800 2.700 3.000 2.721 2.700 2.742 . 0 0 "[ . 1]" 3
8 2 6 ALA O 2 10 LEU H 1.900 . 2.000 1.772 1.748 1.790 0.052 3 0 "[ . 1]" 3
9 1 7 SER O 1 11 ALA N 2.800 2.700 3.000 3.063 3.038 3.077 0.077 5 0 "[ . 1]" 3
10 1 7 SER O 1 11 ALA H 1.900 . 2.000 2.073 2.052 2.087 0.087 9 0 "[ . 1]" 3
11 2 7 SER O 2 11 ALA N 2.800 2.700 3.000 3.062 3.041 3.081 0.081 9 0 "[ . 1]" 3
12 2 7 SER O 2 11 ALA H 1.900 . 2.000 2.072 2.057 2.090 0.090 9 0 "[ . 1]" 3
13 1 8 TYR O 1 12 ALA N 2.800 2.700 3.000 2.832 2.770 2.866 . 0 0 "[ . 1]" 3
14 1 8 TYR O 1 12 ALA H 1.900 . 2.000 1.865 1.805 1.898 . 0 0 "[ . 1]" 3
15 2 8 TYR O 2 12 ALA N 2.800 2.700 3.000 2.830 2.765 2.862 . 0 0 "[ . 1]" 3
16 2 8 TYR O 2 12 ALA H 1.900 . 2.000 1.862 1.799 1.889 0.001 10 0 "[ . 1]" 3
17 1 9 LEU O 1 13 LEU N 2.800 2.700 3.000 3.003 2.960 3.024 0.024 8 0 "[ . 1]" 3
18 1 9 LEU O 1 13 LEU H 1.900 . 2.000 2.105 2.082 2.119 0.119 8 0 "[ . 1]" 3
19 2 9 LEU O 2 13 LEU N 2.800 2.700 3.000 3.003 2.960 3.025 0.025 3 0 "[ . 1]" 3
20 2 9 LEU O 2 13 LEU H 1.900 . 2.000 2.104 2.080 2.121 0.121 8 0 "[ . 1]" 3
21 1 21 ALA O 1 25 LYS N 2.800 2.700 3.000 3.102 2.981 3.211 0.211 2 0 "[ . 1]" 3
22 1 21 ALA O 1 25 LYS H 1.900 . 2.000 2.141 2.011 2.255 0.255 2 0 "[ . 1]" 3
23 2 21 ALA O 2 25 LYS N 2.800 2.700 3.000 3.105 2.979 3.220 0.220 2 0 "[ . 1]" 3
24 2 21 ALA O 2 25 LYS H 1.900 . 2.000 2.144 2.010 2.264 0.264 2 0 "[ . 1]" 3
25 1 22 LYS O 1 26 LYS N 2.800 2.700 3.000 2.914 2.814 2.986 . 0 0 "[ . 1]" 3
26 1 22 LYS O 1 26 LYS H 1.900 . 2.000 1.982 1.877 2.046 0.046 1 0 "[ . 1]" 3
27 2 22 LYS O 2 26 LYS N 2.800 2.700 3.000 2.917 2.814 2.981 . 0 0 "[ . 1]" 3
28 2 22 LYS O 2 26 LYS H 1.900 . 2.000 1.984 1.874 2.040 0.040 1 0 "[ . 1]" 3
29 1 23 ASP O 1 27 ILE N 2.800 2.700 3.000 3.030 3.003 3.073 0.073 7 0 "[ . 1]" 3
30 1 23 ASP O 1 27 ILE H 1.900 . 2.000 2.095 2.060 2.138 0.138 8 0 "[ . 1]" 3
31 2 23 ASP O 2 27 ILE N 2.800 2.700 3.000 3.034 3.008 3.072 0.072 7 0 "[ . 1]" 3
32 2 23 ASP O 2 27 ILE H 1.900 . 2.000 2.099 2.073 2.141 0.141 8 0 "[ . 1]" 3
33 1 24 ILE O 1 28 LEU N 2.800 2.700 3.000 2.903 2.746 2.969 . 0 0 "[ . 1]" 3
34 1 24 ILE O 1 28 LEU H 1.900 . 2.000 1.974 1.799 2.048 0.048 3 0 "[ . 1]" 3
35 2 24 ILE O 2 28 LEU N 2.800 2.700 3.000 2.903 2.748 2.972 . 0 0 "[ . 1]" 3
36 2 24 ILE O 2 28 LEU H 1.900 . 2.000 1.973 1.801 2.048 0.048 3 0 "[ . 1]" 3
37 1 25 LYS O 1 29 ASP N 2.800 2.700 3.000 2.846 2.789 2.880 . 0 0 "[ . 1]" 3
38 1 25 LYS O 1 29 ASP H 1.900 . 2.000 1.873 1.808 1.914 . 0 0 "[ . 1]" 3
39 2 25 LYS O 2 29 ASP N 2.800 2.700 3.000 2.843 2.783 2.879 . 0 0 "[ . 1]" 3
40 2 25 LYS O 2 29 ASP H 1.900 . 2.000 1.870 1.803 1.913 . 0 0 "[ . 1]" 3
41 1 26 LYS O 1 30 SER N 2.800 2.700 3.000 2.723 2.678 2.776 0.022 2 0 "[ . 1]" 3
42 1 26 LYS O 1 30 SER H 1.900 . 2.000 1.850 1.786 1.949 0.014 4 0 "[ . 1]" 3
43 2 26 LYS O 2 30 SER N 2.800 2.700 3.000 2.722 2.680 2.777 0.020 2 0 "[ . 1]" 3
44 2 26 LYS O 2 30 SER H 1.900 . 2.000 1.851 1.785 1.943 0.015 4 0 "[ . 1]" 3
45 1 38 ASP O 1 42 LYS N 2.800 2.700 3.000 2.925 2.823 3.249 0.249 10 0 "[ . 1]" 3
46 1 38 ASP O 1 42 LYS H 1.900 . 2.000 1.947 1.841 2.279 0.279 10 0 "[ . 1]" 3
47 2 38 ASP O 2 42 LYS N 2.800 2.700 3.000 2.924 2.810 3.248 0.248 10 0 "[ . 1]" 3
48 2 38 ASP O 2 42 LYS H 1.900 . 2.000 1.946 1.834 2.277 0.277 10 0 "[ . 1]" 3
49 1 39 ARG O 1 43 VAL N 2.800 2.700 3.000 2.863 2.804 2.966 . 0 0 "[ . 1]" 3
50 1 39 ARG O 1 43 VAL H 1.900 . 2.000 1.989 1.907 2.053 0.053 10 0 "[ . 1]" 3
51 2 39 ARG O 2 43 VAL N 2.800 2.700 3.000 2.863 2.807 2.961 . 0 0 "[ . 1]" 3
52 2 39 ARG O 2 43 VAL H 1.900 . 2.000 1.990 1.905 2.048 0.048 10 0 "[ . 1]" 3
53 1 40 LEU O 1 44 ILE N 2.800 2.700 3.000 2.835 2.748 2.896 . 0 0 "[ . 1]" 3
54 1 40 LEU O 1 44 ILE H 1.900 . 2.000 1.873 1.791 1.948 0.009 8 0 "[ . 1]" 3
55 2 40 LEU O 2 44 ILE N 2.800 2.700 3.000 2.835 2.748 2.892 . 0 0 "[ . 1]" 3
56 2 40 LEU O 2 44 ILE H 1.900 . 2.000 1.871 1.792 1.944 0.008 5 0 "[ . 1]" 3
57 1 41 ASN O 1 45 SER N 2.800 2.700 3.000 2.888 2.837 2.952 . 0 0 "[ . 1]" 3
58 1 41 ASN O 1 45 SER H 1.900 . 2.000 1.915 1.869 1.977 . 0 0 "[ . 1]" 3
59 2 41 ASN O 2 45 SER N 2.800 2.700 3.000 2.886 2.839 2.946 . 0 0 "[ . 1]" 3
60 2 41 ASN O 2 45 SER H 1.900 . 2.000 1.912 1.868 1.973 . 0 0 "[ . 1]" 3
61 1 42 LYS O 1 46 GLU N 2.800 2.700 3.000 2.738 2.677 2.816 0.023 9 0 "[ . 1]" 3
62 1 42 LYS O 1 46 GLU H 1.900 . 2.000 1.874 1.799 1.934 0.001 1 0 "[ . 1]" 3
63 2 42 LYS O 2 46 GLU N 2.800 2.700 3.000 2.740 2.669 2.822 0.031 9 0 "[ . 1]" 3
64 2 42 LYS O 2 46 GLU H 1.900 . 2.000 1.875 1.800 1.943 0.000 1 0 "[ . 1]" 3
65 1 43 VAL O 1 47 LEU N 2.800 2.700 3.000 2.763 2.671 2.883 0.029 5 0 "[ . 1]" 3
66 1 43 VAL O 1 47 LEU H 1.900 . 2.000 1.876 1.794 2.020 0.020 6 0 "[ . 1]" 3
67 2 43 VAL O 2 47 LEU N 2.800 2.700 3.000 2.762 2.667 2.882 0.033 5 0 "[ . 1]" 3
68 2 43 VAL O 2 47 LEU H 1.900 . 2.000 1.874 1.789 2.018 0.018 6 0 "[ . 1]" 3
69 1 44 ILE O 1 48 ASN N 2.800 2.700 3.000 2.999 2.941 3.068 0.068 2 0 "[ . 1]" 3
70 1 44 ILE O 1 48 ASN H 1.900 . 2.000 2.029 1.977 2.088 0.088 2 0 "[ . 1]" 3
71 2 44 ILE O 2 48 ASN N 2.800 2.700 3.000 2.998 2.937 3.064 0.064 2 0 "[ . 1]" 3
72 2 44 ILE O 2 48 ASN H 1.900 . 2.000 2.028 1.971 2.084 0.084 2 0 "[ . 1]" 3
73 1 53 GLU O 1 57 ALA N 2.800 2.700 3.000 2.681 2.586 2.743 0.114 6 0 "[ . 1]" 3
74 1 53 GLU O 1 57 ALA H 1.900 . 2.000 1.743 1.652 1.802 0.148 6 0 "[ . 1]" 3
75 2 53 GLU O 2 57 ALA N 2.800 2.700 3.000 2.682 2.584 2.745 0.116 6 0 "[ . 1]" 3
76 2 53 GLU O 2 57 ALA H 1.900 . 2.000 1.745 1.653 1.806 0.147 6 0 "[ . 1]" 3
77 1 54 ASP O 1 58 GLN N 2.800 2.700 3.000 2.788 2.746 2.945 . 0 0 "[ . 1]" 3
78 1 54 ASP O 1 58 GLN H 1.900 . 2.000 1.831 1.780 2.004 0.020 9 0 "[ . 1]" 3
79 2 54 ASP O 2 58 GLN N 2.800 2.700 3.000 2.787 2.745 2.952 . 0 0 "[ . 1]" 3
80 2 54 ASP O 2 58 GLN H 1.900 . 2.000 1.831 1.781 2.011 0.019 4 0 "[ . 1]" 3
81 1 55 VAL O 1 59 GLY N 2.800 2.700 3.000 2.880 2.850 2.928 . 0 0 "[ . 1]" 3
82 1 55 VAL O 1 59 GLY H 1.900 . 2.000 2.039 2.006 2.086 0.086 9 0 "[ . 1]" 3
83 2 55 VAL O 2 59 GLY N 2.800 2.700 3.000 2.880 2.853 2.925 . 0 0 "[ . 1]" 3
84 2 55 VAL O 2 59 GLY H 1.900 . 2.000 2.039 2.007 2.088 0.088 6 0 "[ . 1]" 3
stop_
save_
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