NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572253 |
2mi6   |
19667 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mi6
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 676
_Distance_constraint_stats_list.Viol_count 368
_Distance_constraint_stats_list.Viol_total 187.732
_Distance_constraint_stats_list.Viol_max 0.958
_Distance_constraint_stats_list.Viol_rms 0.0355
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0510
_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 ARG 0.080 0.028 2 0 "[ . 1]"
1 3 PRO 0.080 0.028 2 0 "[ . 1]"
1 4 VAL 0.643 0.643 10 1 "[ . +]"
1 5 VAL 0.643 0.643 10 1 "[ . +]"
1 6 GLU 0.224 0.035 9 0 "[ . 1]"
1 7 VAL 0.171 0.030 2 0 "[ . 1]"
1 8 ASP 0.178 0.029 9 0 "[ . 1]"
1 9 TYR 0.007 0.003 10 0 "[ . 1]"
1 10 GLU 0.303 0.031 4 0 "[ . 1]"
1 11 VAL 0.013 0.005 10 0 "[ . 1]"
1 12 GLY 0.000 0.000 . 0 "[ . 1]"
1 13 GLU 0.002 0.002 7 0 "[ . 1]"
1 14 SER 0.480 0.259 9 0 "[ . 1]"
1 15 VAL 0.962 0.739 3 1 "[ + . 1]"
1 16 THR 0.000 0.000 1 0 "[ . 1]"
1 17 VAL 0.103 0.015 10 0 "[ . 1]"
1 18 MET 0.003 0.003 6 0 "[ . 1]"
1 19 ASP 0.331 0.305 2 0 "[ . 1]"
1 20 GLY 0.207 0.024 3 0 "[ . 1]"
1 21 PRO 0.197 0.024 3 0 "[ . 1]"
1 22 PHE 0.026 0.006 7 0 "[ . 1]"
1 23 ALA 0.372 0.053 9 0 "[ . 1]"
1 24 THR 0.418 0.053 9 0 "[ . 1]"
1 25 LEU 0.198 0.024 10 0 "[ . 1]"
1 26 PRO 0.788 0.134 9 0 "[ . 1]"
1 27 ALA 0.252 0.134 9 0 "[ . 1]"
1 28 THR 0.466 0.278 8 0 "[ . 1]"
1 29 ILE 0.014 0.005 10 0 "[ . 1]"
1 30 SER 3.816 0.958 7 4 "[ - *. + *]"
1 31 GLU 0.039 0.013 1 0 "[ . 1]"
1 32 VAL 0.383 0.133 7 0 "[ . 1]"
1 33 ASN 0.047 0.029 6 0 "[ . 1]"
1 34 ALA 0.001 0.001 7 0 "[ . 1]"
1 35 GLU 0.000 0.000 . 0 "[ . 1]"
1 36 GLN 0.272 0.031 9 0 "[ . 1]"
1 37 GLN 0.725 0.440 5 0 "[ . 1]"
1 38 LYS 0.339 0.028 7 0 "[ . 1]"
1 39 LEU 2.297 0.951 7 1 "[ . + 1]"
1 40 LYS 0.836 0.100 5 0 "[ . 1]"
1 41 VAL 0.027 0.015 10 0 "[ . 1]"
1 42 LEU 5.722 0.958 7 6 "[ * *.*+- *]"
1 43 VAL 0.047 0.014 1 0 "[ . 1]"
1 44 SER 0.181 0.031 8 0 "[ . 1]"
1 45 ILE 0.005 0.005 6 0 "[ . 1]"
1 46 PHE 0.219 0.029 6 0 "[ . 1]"
1 47 GLY 0.000 0.000 . 0 "[ . 1]"
1 48 ARG 0.402 0.386 1 0 "[ . 1]"
1 49 GLU 0.402 0.386 1 0 "[ . 1]"
1 50 THR 0.034 0.014 1 0 "[ . 1]"
1 51 PRO 0.191 0.021 3 0 "[ . 1]"
1 52 VAL 0.248 0.030 2 0 "[ . 1]"
1 53 GLU 1.715 0.705 4 2 "[ +. - 1]"
1 54 LEU 0.319 0.031 8 0 "[ . 1]"
1 55 THR 0.003 0.003 6 0 "[ . 1]"
1 56 PHE 1.049 0.951 7 1 "[ . + 1]"
1 57 GLY 0.000 0.000 . 0 "[ . 1]"
1 58 GLN 0.312 0.034 1 0 "[ . 1]"
1 59 VAL 0.029 0.026 7 0 "[ . 1]"
1 60 SER 0.000 0.000 . 0 "[ . 1]"
1 61 LYS 0.742 0.739 3 1 "[ + . 1]"
1 62 ILE 0.271 0.031 9 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 55 THR H 1 58 GLN H 0.000 . 5.000 4.074 3.829 4.194 . 0 0 "[ . 1]" 1
2 1 54 LEU MD2 1 55 THR H 0.000 . 4.000 3.741 2.997 3.973 . 0 0 "[ . 1]" 1
3 1 55 THR H 1 55 THR HB 0.000 . 4.000 3.754 3.712 3.778 . 0 0 "[ . 1]" 1
4 1 33 ASN HB3 1 33 ASN HD22 0.000 . 4.000 3.695 3.514 3.955 . 0 0 "[ . 1]" 1
5 1 33 ASN HD21 1 36 GLN QG 0.000 . 5.000 3.073 1.895 3.866 . 0 0 "[ . 1]" 1
6 1 33 ASN HB2 1 33 ASN HD22 0.000 . 4.000 3.799 3.656 4.029 0.029 6 0 "[ . 1]" 1
7 1 33 ASN HD22 1 36 GLN HB2 0.000 . 4.000 3.170 2.604 4.007 0.007 6 0 "[ . 1]" 1
8 1 18 MET H 1 60 SER H 0.000 . 5.000 4.524 4.113 4.808 . 0 0 "[ . 1]" 1
9 1 37 GLN HE21 1 37 GLN HG2 0.000 . 3.000 2.472 2.271 3.440 0.440 5 0 "[ . 1]" 1
10 1 58 GLN HA 1 58 GLN HE21 0.000 . 5.000 4.395 2.703 4.794 . 0 0 "[ . 1]" 1
11 1 18 MET QG 1 60 SER H 0.000 . 5.000 2.615 2.230 3.076 . 0 0 "[ . 1]" 1
12 1 59 VAL HB 1 60 SER H 0.000 . 3.000 2.832 2.656 2.938 . 0 0 "[ . 1]" 1
13 1 59 VAL HA 1 60 SER H 0.000 . 3.000 2.322 2.283 2.383 . 0 0 "[ . 1]" 1
14 1 59 VAL QG 1 60 SER H 0.000 . 5.000 3.331 3.248 3.401 . 0 0 "[ . 1]" 1
15 1 15 VAL HB 1 60 SER H 0.000 . 4.000 3.262 2.855 3.494 . 0 0 "[ . 1]" 1
16 1 16 THR H 1 60 SER H 0.000 . 4.000 2.682 2.290 3.308 . 0 0 "[ . 1]" 1
17 1 58 GLN HE22 1 58 GLN HG3 0.000 . 4.000 3.867 3.781 4.025 0.025 5 0 "[ . 1]" 1
18 1 19 ASP HB3 1 58 GLN HE21 0.000 . 5.000 4.207 3.245 5.005 0.005 5 0 "[ . 1]" 1
19 1 54 LEU MD2 1 58 GLN HE22 0.000 . 6.000 4.812 2.430 5.804 . 0 0 "[ . 1]" 1
20 1 35 GLU HA 1 36 GLN H 0.000 . 4.000 3.573 3.566 3.578 . 0 0 "[ . 1]" 1
21 1 36 GLN H 1 38 LYS H 0.000 . 5.000 3.461 3.362 3.534 . 0 0 "[ . 1]" 1
22 1 28 THR H 1 28 THR HB 0.000 . 3.000 2.635 2.571 2.660 . 0 0 "[ . 1]" 1
23 1 27 ALA MB 1 28 THR H 0.000 . 3.000 2.597 2.431 2.855 . 0 0 "[ . 1]" 1
24 1 28 THR H 1 41 VAL HA 0.000 . 5.000 4.432 4.202 4.556 . 0 0 "[ . 1]" 1
25 1 28 THR H 1 43 VAL HA 0.000 . 4.000 3.788 3.408 3.997 . 0 0 "[ . 1]" 1
26 1 17 VAL HA 1 24 THR H 0.000 . 6.000 4.612 4.375 4.831 . 0 0 "[ . 1]" 1
27 1 23 ALA H 1 24 THR H 0.000 . 5.000 4.604 4.593 4.619 . 0 0 "[ . 1]" 1
28 1 18 MET HA 1 24 THR H 0.000 . 5.000 3.232 2.677 3.680 . 0 0 "[ . 1]" 1
29 1 23 ALA HA 1 24 THR H 0.000 . 3.000 2.194 2.187 2.204 . 0 0 "[ . 1]" 1
30 1 24 THR H 1 24 THR HA 0.000 . 3.000 2.369 2.357 2.372 . 0 0 "[ . 1]" 1
31 1 17 VAL HB 1 24 THR H 0.000 . 5.000 2.950 2.592 3.642 . 0 0 "[ . 1]" 1
32 1 12 GLY H 1 29 ILE HG13 0.000 . 6.000 5.150 4.914 5.554 . 0 0 "[ . 1]" 1
33 1 11 VAL HA 1 12 GLY H 0.000 . 3.000 2.272 2.245 2.292 . 0 0 "[ . 1]" 1
34 1 11 VAL MG1 1 12 GLY H 0.000 . 4.000 2.149 1.904 2.373 . 0 0 "[ . 1]" 1
35 1 12 GLY H 1 12 GLY HA3 0.000 . 3.000 2.968 2.963 2.976 . 0 0 "[ . 1]" 1
36 1 12 GLY H 1 13 GLU H 0.000 . 3.000 2.578 2.439 2.804 . 0 0 "[ . 1]" 1
37 1 36 GLN QG 1 38 LYS H 0.000 . 5.000 4.902 4.655 5.001 0.001 2 0 "[ . 1]" 1
38 1 37 GLN H 1 37 GLN HG2 0.000 . 4.000 3.170 2.787 3.456 . 0 0 "[ . 1]" 1
39 1 36 GLN HA 1 37 GLN H 0.000 . 4.000 3.144 3.092 3.236 . 0 0 "[ . 1]" 1
40 1 34 ALA HA 1 37 GLN H 0.000 . 4.000 3.100 2.924 3.214 . 0 0 "[ . 1]" 1
41 1 14 SER HB3 1 15 VAL H 0.000 . 4.000 3.953 3.809 4.221 0.221 9 0 "[ . 1]" 1
42 1 14 SER HA 1 15 VAL H 0.000 . 3.000 2.258 2.238 2.292 . 0 0 "[ . 1]" 1
43 1 37 GLN H 1 38 LYS H 0.000 . 3.000 2.804 2.724 2.861 . 0 0 "[ . 1]" 1
44 1 15 VAL H 1 27 ALA MB 0.000 . 5.000 3.549 3.295 3.756 . 0 0 "[ . 1]" 1
45 1 14 SER HB2 1 15 VAL H 0.000 . 5.000 4.162 3.837 4.262 . 0 0 "[ . 1]" 1
46 1 35 GLU H 1 37 GLN H 0.000 . 4.000 3.800 3.705 3.911 . 0 0 "[ . 1]" 1
47 1 38 LYS H 1 56 PHE QE 0.000 . 4.000 2.651 2.054 3.747 . 0 0 "[ . 1]" 1
48 1 33 ASN H 1 38 LYS H 0.000 . 4.000 3.567 3.357 3.749 . 0 0 "[ . 1]" 1
49 1 37 GLN HA 1 38 LYS H 0.000 . 3.000 2.848 2.803 2.895 . 0 0 "[ . 1]" 1
50 1 38 LYS H 1 38 LYS HG2 0.000 . 5.000 3.886 3.697 4.247 . 0 0 "[ . 1]" 1
51 1 33 ASN HB3 1 38 LYS H 0.000 . 4.000 2.435 1.955 2.804 . 0 0 "[ . 1]" 1
52 1 34 ALA HA 1 38 LYS H 0.000 . 5.000 3.702 3.354 4.133 . 0 0 "[ . 1]" 1
53 1 33 ASN HB2 1 38 LYS H 0.000 . 5.000 4.119 3.576 4.502 . 0 0 "[ . 1]" 1
54 1 16 THR H 1 59 VAL HA 0.000 . 6.000 4.468 4.200 5.212 . 0 0 "[ . 1]" 1
55 1 15 VAL HA 1 16 THR H 0.000 . 3.000 2.388 2.324 2.471 . 0 0 "[ . 1]" 1
56 1 20 GLY HA3 1 22 PHE H 0.000 . 5.000 3.254 3.156 3.336 . 0 0 "[ . 1]" 1
57 1 15 VAL HB 1 16 THR H 0.000 . 3.000 2.638 2.422 2.813 . 0 0 "[ . 1]" 1
58 1 22 PHE H 1 23 ALA H 0.000 . 5.000 2.516 2.403 2.598 . 0 0 "[ . 1]" 1
59 1 22 PHE H 1 22 PHE QD 0.000 . 5.000 2.556 2.236 3.358 . 0 0 "[ . 1]" 1
60 1 22 PHE H 1 23 ALA MB 0.000 . 6.000 4.255 4.166 4.326 . 0 0 "[ . 1]" 1
61 1 54 LEU MD2 1 58 GLN H 0.000 . 6.000 5.068 4.822 5.464 . 0 0 "[ . 1]" 1
62 1 57 GLY HA2 1 58 GLN H 0.000 . 4.000 3.479 3.446 3.498 . 0 0 "[ . 1]" 1
63 1 56 PHE HA 1 58 GLN H 0.000 . 5.000 3.464 3.370 3.621 . 0 0 "[ . 1]" 1
64 1 55 THR HB 1 58 GLN H 0.000 . 6.000 5.218 4.984 5.310 . 0 0 "[ . 1]" 1
65 1 58 GLN H 1 59 VAL H 0.000 . 3.000 2.596 2.557 2.616 . 0 0 "[ . 1]" 1
66 1 58 GLN H 1 59 VAL QG 0.000 . 4.000 3.332 3.267 3.429 . 0 0 "[ . 1]" 1
67 1 40 LYS HA 1 41 VAL H 0.000 . 3.000 2.233 2.213 2.255 . 0 0 "[ . 1]" 1
68 1 19 ASP H 1 23 ALA HA 0.000 . 5.000 3.984 3.581 4.401 . 0 0 "[ . 1]" 1
69 1 19 ASP H 1 19 ASP HB3 0.000 . 4.000 3.035 2.718 3.682 . 0 0 "[ . 1]" 1
70 1 18 MET HB2 1 19 ASP H 0.000 . 4.000 3.016 2.628 3.220 . 0 0 "[ . 1]" 1
71 1 17 VAL HA 1 19 ASP H 0.000 . 4.000 3.707 3.602 4.011 0.011 6 0 "[ . 1]" 1
72 1 18 MET H 1 19 ASP H 0.000 . 3.000 1.982 1.911 2.058 . 0 0 "[ . 1]" 1
73 1 17 VAL MG1 1 19 ASP H 0.000 . 3.000 2.442 2.141 2.906 . 0 0 "[ . 1]" 1
74 1 19 ASP H 1 23 ALA MB 0.000 . 5.000 4.042 3.638 4.366 . 0 0 "[ . 1]" 1
75 1 18 MET HA 1 19 ASP H 0.000 . 4.000 3.471 3.428 3.549 . 0 0 "[ . 1]" 1
76 1 18 MET HB3 1 19 ASP H 0.000 . 5.000 3.991 3.667 4.091 . 0 0 "[ . 1]" 1
77 1 34 ALA H 1 35 GLU H 0.000 . 4.000 2.618 2.588 2.756 . 0 0 "[ . 1]" 1
78 1 34 ALA MB 1 35 GLU H 0.000 . 4.000 2.803 2.695 2.942 . 0 0 "[ . 1]" 1
79 1 33 ASN HA 1 35 GLU H 0.000 . 5.000 3.412 3.272 3.596 . 0 0 "[ . 1]" 1
80 1 35 GLU H 1 36 GLN H 0.000 . 3.000 2.827 2.749 2.922 . 0 0 "[ . 1]" 1
81 1 8 ASP H 1 9 TYR H 0.000 . 5.000 4.086 2.290 4.537 . 0 0 "[ . 1]" 1
82 1 8 ASP HA 1 9 TYR H 0.000 . 4.000 2.535 2.210 3.575 . 0 0 "[ . 1]" 1
83 1 9 TYR H 1 9 TYR QD 0.000 . 4.000 2.553 2.161 3.169 . 0 0 "[ . 1]" 1
84 1 8 ASP HB2 1 9 TYR H 0.000 . 5.000 3.838 2.107 4.404 . 0 0 "[ . 1]" 1
85 1 9 TYR H 1 10 GLU H 0.000 . 5.000 4.542 4.426 4.581 . 0 0 "[ . 1]" 1
86 1 9 TYR H 1 9 TYR HB2 0.000 . 3.000 2.611 2.530 2.848 . 0 0 "[ . 1]" 1
87 1 8 ASP HB3 1 9 TYR H 0.000 . 4.000 3.329 2.790 3.929 . 0 0 "[ . 1]" 1
88 1 9 TYR H 1 32 VAL MG2 0.000 . 5.000 3.889 3.365 4.304 . 0 0 "[ . 1]" 1
89 1 55 THR HA 1 56 PHE H 0.000 . 3.000 2.424 2.339 2.495 . 0 0 "[ . 1]" 1
90 1 55 THR HB 1 56 PHE H 0.000 . 3.000 2.664 2.547 2.816 . 0 0 "[ . 1]" 1
91 1 56 PHE H 1 56 PHE QD 0.000 . 4.000 2.222 1.868 2.728 . 0 0 "[ . 1]" 1
92 1 55 THR MG 1 56 PHE H 0.000 . 5.000 4.002 3.793 4.115 . 0 0 "[ . 1]" 1
93 1 37 GLN HB2 1 56 PHE H 0.000 . 5.000 4.955 4.868 5.005 0.005 5 0 "[ . 1]" 1
94 1 56 PHE H 1 56 PHE QE 0.000 . 6.000 4.138 3.972 4.432 . 0 0 "[ . 1]" 1
95 1 56 PHE H 1 57 GLY H 0.000 . 6.000 4.624 4.540 4.669 . 0 0 "[ . 1]" 1
96 1 14 SER H 1 14 SER HB2 0.000 . 3.000 2.827 2.685 3.259 0.259 9 0 "[ . 1]" 1
97 1 14 SER H 1 14 SER HB3 0.000 . 4.000 2.601 2.325 2.672 . 0 0 "[ . 1]" 1
98 1 13 GLU HA 1 14 SER H 0.000 . 3.000 2.347 2.316 2.419 . 0 0 "[ . 1]" 1
99 1 56 PHE H 1 58 GLN HG3 0.000 . 6.000 4.468 4.162 5.686 . 0 0 "[ . 1]" 1
100 1 6 GLU QG 1 7 VAL H 0.000 . 4.000 3.481 2.213 3.976 . 0 0 "[ . 1]" 1
101 1 7 VAL H 1 7 VAL HB 0.000 . 4.000 2.861 2.368 3.676 . 0 0 "[ . 1]" 1
102 1 9 TYR HA 1 10 GLU H 0.000 . 3.000 2.345 2.271 2.495 . 0 0 "[ . 1]" 1
103 1 7 VAL H 1 7 VAL QG 0.000 . 4.000 2.369 1.964 2.672 . 0 0 "[ . 1]" 1
104 1 9 TYR QD 1 10 GLU H 0.000 . 5.000 3.987 3.760 4.161 . 0 0 "[ . 1]" 1
105 1 6 GLU HA 1 7 VAL H 0.000 . 4.000 2.644 2.202 3.572 . 0 0 "[ . 1]" 1
106 1 23 ALA H 1 23 ALA MB 0.000 . 3.000 2.275 2.268 2.279 . 0 0 "[ . 1]" 1
107 1 38 LYS H 1 39 LEU H 0.000 . 5.000 4.421 4.295 4.503 . 0 0 "[ . 1]" 1
108 1 31 GLU H 1 41 VAL QG 0.000 . 5.000 4.415 4.120 4.783 . 0 0 "[ . 1]" 1
109 1 31 GLU H 1 32 VAL H 0.000 . 5.000 4.322 4.270 4.371 . 0 0 "[ . 1]" 1
110 1 31 GLU H 1 40 LYS HD2 0.000 . 6.000 4.694 4.347 5.116 . 0 0 "[ . 1]" 1
111 1 31 GLU H 1 39 LEU HA 0.000 . 6.000 5.635 5.436 5.813 . 0 0 "[ . 1]" 1
112 1 30 SER HB3 1 31 GLU H 0.000 . 4.000 3.351 2.677 4.000 0.000 3 0 "[ . 1]" 1
113 1 30 SER H 1 40 LYS H 0.000 . 5.000 4.593 4.348 4.840 . 0 0 "[ . 1]" 1
114 1 30 SER HA 1 31 GLU H 0.000 . 4.000 3.508 3.471 3.558 . 0 0 "[ . 1]" 1
115 1 31 GLU H 1 40 LYS QB 0.000 . 5.000 2.265 1.874 2.654 . 0 0 "[ . 1]" 1
116 1 31 GLU H 1 40 LYS H 0.000 . 4.000 3.503 3.228 3.646 . 0 0 "[ . 1]" 1
117 1 31 GLU H 1 41 VAL HA 0.000 . 5.000 3.844 3.662 4.062 . 0 0 "[ . 1]" 1
118 1 30 SER H 1 31 GLU H 0.000 . 3.000 2.101 1.920 2.209 . 0 0 "[ . 1]" 1
119 1 29 ILE HA 1 31 GLU H 0.000 . 5.000 3.713 3.567 3.919 . 0 0 "[ . 1]" 1
120 1 30 SER HB2 1 31 GLU H 0.000 . 4.000 3.390 2.573 4.013 0.013 1 0 "[ . 1]" 1
121 1 31 GLU H 1 31 GLU QB 0.000 . 3.000 2.756 2.626 2.847 . 0 0 "[ . 1]" 1
122 1 11 VAL MG2 1 31 GLU H 0.000 . 4.000 3.880 3.772 3.985 . 0 0 "[ . 1]" 1
123 1 46 PHE HB3 1 48 ARG H 0.000 . 6.000 5.609 5.060 5.823 . 0 0 "[ . 1]" 1
124 1 47 GLY HA2 1 48 ARG H 0.000 . 4.000 2.804 2.701 2.892 . 0 0 "[ . 1]" 1
125 1 31 GLU QB 1 40 LYS H 0.000 . 4.000 3.957 3.640 4.009 0.009 5 0 "[ . 1]" 1
126 1 40 LYS H 1 40 LYS QB 0.000 . 3.000 2.565 2.483 2.670 . 0 0 "[ . 1]" 1
127 1 39 LEU HA 1 40 LYS H 0.000 . 3.000 2.309 2.297 2.341 . 0 0 "[ . 1]" 1
128 1 39 LEU HB2 1 40 LYS H 0.000 . 4.000 4.035 4.014 4.048 0.048 4 0 "[ . 1]" 1
129 1 32 VAL HA 1 40 LYS H 0.000 . 4.000 2.474 2.216 2.695 . 0 0 "[ . 1]" 1
130 1 40 LYS H 1 41 VAL H 0.000 . 5.000 4.446 4.436 4.450 . 0 0 "[ . 1]" 1
131 1 30 SER H 1 42 LEU H 0.000 . 4.000 3.354 2.925 3.935 . 0 0 "[ . 1]" 1
132 1 42 LEU H 1 42 LEU HG 0.000 . 5.000 3.993 2.128 4.823 . 0 0 "[ . 1]" 1
133 1 41 VAL HA 1 42 LEU H 0.000 . 3.000 2.274 2.203 2.347 . 0 0 "[ . 1]" 1
134 1 42 LEU H 1 42 LEU HB3 0.000 . 3.000 2.761 2.393 3.748 0.748 6 2 "[ .+ - 1]" 1
135 1 16 THR HA 1 27 ALA H 0.000 . 4.000 3.302 3.084 3.516 . 0 0 "[ . 1]" 1
136 1 3 PRO HA 1 4 VAL H 0.000 . 3.000 2.243 2.199 2.281 . 0 0 "[ . 1]" 1
137 1 15 VAL MG2 1 27 ALA H 0.000 . 4.000 3.510 3.287 3.738 . 0 0 "[ . 1]" 1
138 1 26 PRO HA 1 27 ALA H 0.000 . 3.000 2.217 2.199 2.247 . 0 0 "[ . 1]" 1
139 1 26 PRO HB3 1 27 ALA H 0.000 . 4.000 3.962 3.828 4.134 0.134 9 0 "[ . 1]" 1
140 1 43 VAL HB 1 44 SER H 0.000 . 5.000 4.243 4.213 4.265 . 0 0 "[ . 1]" 1
141 1 44 SER H 1 44 SER HB2 0.000 . 4.000 2.507 2.417 2.569 . 0 0 "[ . 1]" 1
142 1 43 VAL HA 1 44 SER H 0.000 . 3.000 2.253 2.244 2.266 . 0 0 "[ . 1]" 1
143 1 27 ALA HA 1 44 SER H 0.000 . 5.000 4.055 3.848 4.308 . 0 0 "[ . 1]" 1
144 1 43 VAL MG1 1 44 SER H 0.000 . 5.000 3.621 3.597 3.659 . 0 0 "[ . 1]" 1
145 1 44 SER H 1 45 ILE H 0.000 . 5.000 4.346 4.254 4.477 . 0 0 "[ . 1]" 1
146 1 10 GLU QG 1 11 VAL H 0.000 . 4.000 3.932 3.883 3.974 . 0 0 "[ . 1]" 1
147 1 11 VAL H 1 12 GLY H 0.000 . 5.000 4.648 4.629 4.663 . 0 0 "[ . 1]" 1
148 1 11 VAL H 1 11 VAL MG2 0.000 . 3.000 2.141 1.966 2.311 . 0 0 "[ . 1]" 1
149 1 10 GLU HA 1 11 VAL H 0.000 . 3.000 2.390 2.289 2.538 . 0 0 "[ . 1]" 1
150 1 10 GLU HB2 1 11 VAL H 0.000 . 4.000 3.750 3.429 4.003 0.003 10 0 "[ . 1]" 1
151 1 12 GLY HA2 1 13 GLU H 0.000 . 4.000 3.418 3.375 3.497 . 0 0 "[ . 1]" 1
152 1 13 GLU H 1 28 THR MG 0.000 . 5.000 3.921 3.505 4.193 . 0 0 "[ . 1]" 1
153 1 11 VAL HA 1 13 GLU H 0.000 . 4.000 3.268 3.205 3.404 . 0 0 "[ . 1]" 1
154 1 52 VAL H 1 52 VAL QG 0.000 . 3.000 2.506 1.895 2.880 . 0 0 "[ . 1]" 1
155 1 51 PRO HB3 1 52 VAL H 0.000 . 4.000 3.858 3.783 3.955 . 0 0 "[ . 1]" 1
156 1 40 LYS HA 1 52 VAL H 0.000 . 6.000 5.207 4.981 5.337 . 0 0 "[ . 1]" 1
157 1 51 PRO HA 1 52 VAL H 0.000 . 3.000 2.247 2.212 2.276 . 0 0 "[ . 1]" 1
158 1 32 VAL H 1 32 VAL MG2 0.000 . 4.000 3.939 3.909 3.956 . 0 0 "[ . 1]" 1
159 1 32 VAL H 1 34 ALA H 0.000 . 6.000 5.711 5.546 5.866 . 0 0 "[ . 1]" 1
160 1 31 GLU QB 1 32 VAL H 0.000 . 4.000 3.159 2.914 3.680 . 0 0 "[ . 1]" 1
161 1 31 GLU HA 1 32 VAL H 0.000 . 3.000 2.254 2.220 2.288 . 0 0 "[ . 1]" 1
162 1 32 VAL H 1 32 VAL HB 0.000 . 3.000 3.008 2.957 3.023 0.023 6 0 "[ . 1]" 1
163 1 11 VAL MG2 1 32 VAL H 0.000 . 4.000 3.192 3.024 3.328 . 0 0 "[ . 1]" 1
164 1 56 PHE HB2 1 57 GLY H 0.000 . 6.000 4.211 4.033 4.310 . 0 0 "[ . 1]" 1
165 1 57 GLY H 1 58 GLN H 0.000 . 6.000 2.690 2.569 2.801 . 0 0 "[ . 1]" 1
166 1 43 VAL H 1 50 THR H 0.000 . 3.500 3.480 3.422 3.514 0.014 1 0 "[ . 1]" 1
167 1 49 GLU HA 1 50 THR H 0.000 . 3.000 2.198 2.195 2.205 . 0 0 "[ . 1]" 1
168 1 5 VAL H 1 6 GLU H 0.000 . 5.000 3.849 2.233 4.492 . 0 0 "[ . 1]" 1
169 1 4 VAL HA 1 5 VAL H 0.000 . 3.000 2.334 2.213 2.926 . 0 0 "[ . 1]" 1
170 1 8 ASP H 1 8 ASP HB2 0.000 . 3.000 2.597 2.351 2.854 . 0 0 "[ . 1]" 1
171 1 7 VAL HA 1 8 ASP H 0.000 . 4.000 2.678 2.193 3.488 . 0 0 "[ . 1]" 1
172 1 7 VAL QG 1 8 ASP H 0.000 . 5.000 2.888 1.854 3.649 . 0 0 "[ . 1]" 1
173 1 8 ASP H 1 9 TYR HA 0.000 . 5.000 4.909 4.787 5.002 0.002 8 0 "[ . 1]" 1
174 1 46 PHE H 1 47 GLY H 0.000 . 6.000 4.401 4.389 4.419 . 0 0 "[ . 1]" 1
175 1 46 PHE HA 1 47 GLY H 0.000 . 6.000 2.208 2.204 2.211 . 0 0 "[ . 1]" 1
176 1 47 GLY H 1 48 ARG H 0.000 . 6.000 2.847 2.743 3.060 . 0 0 "[ . 1]" 1
177 1 18 MET H 1 58 GLN HA 0.000 . 5.000 4.348 4.007 4.998 . 0 0 "[ . 1]" 1
178 1 43 VAL H 1 51 PRO HA 0.000 . 6.000 2.759 2.699 2.841 . 0 0 "[ . 1]" 1
179 1 18 MET H 1 59 VAL HA 0.000 . 3.000 2.845 2.636 3.003 0.003 6 0 "[ . 1]" 1
180 1 17 VAL MG1 1 18 MET H 0.000 . 3.000 2.462 2.151 2.705 . 0 0 "[ . 1]" 1
181 1 18 MET H 1 18 MET HB3 0.000 . 4.000 3.752 3.679 3.844 . 0 0 "[ . 1]" 1
182 1 17 VAL MG2 1 18 MET H 0.000 . 5.000 4.068 3.783 4.153 . 0 0 "[ . 1]" 1
183 1 17 VAL HA 1 18 MET H 0.000 . 3.000 2.204 2.195 2.227 . 0 0 "[ . 1]" 1
184 1 18 MET H 1 18 MET HB2 0.000 . 3.000 2.589 2.439 2.805 . 0 0 "[ . 1]" 1
185 1 61 LYS H 1 62 ILE H 0.000 . 5.000 4.654 4.640 4.669 . 0 0 "[ . 1]" 1
186 1 23 ALA MB 1 25 LEU H 0.000 . 5.000 4.927 4.901 4.949 . 0 0 "[ . 1]" 1
187 1 60 SER HA 1 61 LYS H 0.000 . 3.000 2.238 2.224 2.263 . 0 0 "[ . 1]" 1
188 1 24 THR H 1 25 LEU H 0.000 . 3.000 2.513 2.479 2.564 . 0 0 "[ . 1]" 1
189 1 25 LEU H 1 25 LEU HG 0.000 . 3.000 3.018 3.009 3.024 0.024 10 0 "[ . 1]" 1
190 1 23 ALA HA 1 25 LEU H 0.000 . 4.000 3.932 3.891 3.959 . 0 0 "[ . 1]" 1
191 1 25 LEU H 1 25 LEU HB2 0.000 . 3.000 2.936 2.922 2.947 . 0 0 "[ . 1]" 1
192 1 24 THR HA 1 25 LEU H 0.000 . 5.000 2.755 2.722 2.776 . 0 0 "[ . 1]" 1
193 1 17 VAL HB 1 25 LEU H 0.000 . 4.000 2.610 2.370 2.960 . 0 0 "[ . 1]" 1
194 1 17 VAL H 1 25 LEU H 0.000 . 6.000 2.533 2.352 2.619 . 0 0 "[ . 1]" 1
195 1 24 THR HB 1 25 LEU H 0.000 . 5.000 4.278 4.236 4.550 . 0 0 "[ . 1]" 1
196 1 13 GLU H 1 29 ILE H 0.000 . 5.000 4.060 3.683 4.445 . 0 0 "[ . 1]" 1
197 1 15 VAL MG2 1 29 ILE H 0.000 . 5.000 3.433 3.152 3.850 . 0 0 "[ . 1]" 1
198 1 28 THR MG 1 29 ILE H 0.000 . 4.000 2.671 2.495 2.956 . 0 0 "[ . 1]" 1
199 1 28 THR HA 1 29 ILE H 0.000 . 3.000 2.197 2.190 2.201 . 0 0 "[ . 1]" 1
200 1 14 SER HA 1 29 ILE H 0.000 . 4.000 3.273 3.041 3.545 . 0 0 "[ . 1]" 1
201 1 29 ILE H 1 41 VAL QG 0.000 . 5.000 3.327 2.568 3.667 . 0 0 "[ . 1]" 1
202 1 28 THR H 1 29 ILE H 0.000 . 5.000 4.356 4.290 4.399 . 0 0 "[ . 1]" 1
203 1 6 GLU H 1 6 GLU QG 0.000 . 5.000 2.735 1.869 4.082 . 0 0 "[ . 1]" 1
204 1 6 GLU H 1 7 VAL H 0.000 . 5.000 4.037 2.683 4.676 . 0 0 "[ . 1]" 1
205 1 6 GLU H 1 6 GLU HB2 0.000 . 4.000 2.624 2.379 2.977 . 0 0 "[ . 1]" 1
206 1 6 GLU H 1 6 GLU HA 0.000 . 3.000 2.894 2.791 2.992 . 0 0 "[ . 1]" 1
207 1 46 PHE H 1 46 PHE HA 0.000 . 3.000 2.750 2.733 2.778 . 0 0 "[ . 1]" 1
208 1 46 PHE H 1 46 PHE HB3 0.000 . 4.000 3.458 2.570 3.645 . 0 0 "[ . 1]" 1
209 1 61 LYS HA 1 62 ILE H 0.000 . 3.000 2.303 2.273 2.332 . 0 0 "[ . 1]" 1
210 1 61 LYS HB3 1 62 ILE H 0.000 . 4.000 2.870 2.779 2.967 . 0 0 "[ . 1]" 1
211 1 15 VAL HA 1 62 ILE H 0.000 . 4.000 3.712 3.489 3.929 . 0 0 "[ . 1]" 1
212 1 49 GLU H 1 49 GLU HG3 0.000 . 5.000 2.824 2.222 3.587 . 0 0 "[ . 1]" 1
213 1 48 ARG HG2 1 49 GLU H 0.000 . 5.000 3.728 2.765 4.995 . 0 0 "[ . 1]" 1
214 1 48 ARG HB3 1 49 GLU H 0.000 . 4.000 3.803 3.536 4.386 0.386 1 0 "[ . 1]" 1
215 1 54 LEU H 1 54 LEU MD2 0.000 . 5.000 4.362 3.695 4.563 . 0 0 "[ . 1]" 1
216 1 33 ASN H 1 56 PHE QE 0.000 . 4.000 3.814 3.277 4.003 0.003 1 0 "[ . 1]" 1
217 1 33 ASN H 1 33 ASN HB2 0.000 . 4.000 2.875 2.672 3.015 . 0 0 "[ . 1]" 1
218 1 32 VAL MG2 1 33 ASN H 0.000 . 3.000 2.392 2.031 2.596 . 0 0 "[ . 1]" 1
219 1 33 ASN H 1 33 ASN HB3 0.000 . 3.000 2.802 2.730 2.948 . 0 0 "[ . 1]" 1
220 1 32 VAL HA 1 33 ASN H 0.000 . 3.000 2.247 2.214 2.278 . 0 0 "[ . 1]" 1
221 1 29 ILE HA 1 30 SER H 0.000 . 3.000 2.194 2.187 2.207 . 0 0 "[ . 1]" 1
222 1 30 SER H 1 41 VAL HA 0.000 . 3.000 2.179 1.996 2.476 . 0 0 "[ . 1]" 1
223 1 30 SER H 1 30 SER HB2 0.000 . 4.000 2.620 2.272 3.119 . 0 0 "[ . 1]" 1
224 1 30 SER H 1 41 VAL QG 0.000 . 4.000 3.453 3.273 3.599 . 0 0 "[ . 1]" 1
225 1 43 VAL MG1 1 45 ILE H 0.000 . 5.000 3.937 3.738 4.240 . 0 0 "[ . 1]" 1
226 1 52 VAL HB 1 53 GLU H 0.000 . 4.000 4.007 4.000 4.017 0.017 9 0 "[ . 1]" 1
227 1 53 GLU H 1 53 GLU HG3 0.000 . 5.000 4.172 2.454 4.654 . 0 0 "[ . 1]" 1
228 1 45 ILE H 1 45 ILE HB 0.000 . 3.000 2.671 2.566 2.823 . 0 0 "[ . 1]" 1
229 1 52 VAL HA 1 53 GLU H 0.000 . 3.000 2.249 2.240 2.261 . 0 0 "[ . 1]" 1
230 1 52 VAL QG 1 53 GLU H 0.000 . 4.000 2.142 1.963 2.331 . 0 0 "[ . 1]" 1
231 1 45 ILE H 1 45 ILE MG 0.000 . 4.000 3.873 3.832 3.933 . 0 0 "[ . 1]" 1
232 1 53 GLU H 1 53 GLU HB3 0.000 . 3.000 2.808 2.483 3.705 0.705 4 2 "[ +. - 1]" 1
233 1 44 SER HA 1 45 ILE H 0.000 . 3.000 2.196 2.189 2.205 . 0 0 "[ . 1]" 1
234 1 45 ILE H 1 48 ARG H 0.000 . 4.000 3.500 3.319 3.704 . 0 0 "[ . 1]" 1
235 1 45 ILE H 1 45 ILE QG 0.000 . 4.000 2.490 2.373 2.908 . 0 0 "[ . 1]" 1
236 1 44 SER HB3 1 45 ILE H 0.000 . 4.000 3.764 3.471 4.005 0.005 6 0 "[ . 1]" 1
237 1 34 ALA H 1 34 ALA MB 0.000 . 3.000 2.090 2.046 2.236 . 0 0 "[ . 1]" 1
238 1 33 ASN HA 1 34 ALA H 0.000 . 3.000 2.367 2.319 2.577 . 0 0 "[ . 1]" 1
239 1 34 ALA H 1 34 ALA HA 0.000 . 3.000 2.868 2.823 2.874 . 0 0 "[ . 1]" 1
240 1 33 ASN HB2 1 34 ALA H 0.000 . 5.000 4.671 4.649 4.693 . 0 0 "[ . 1]" 1
241 1 32 VAL MG2 1 34 ALA H 0.000 . 4.000 3.315 2.661 3.506 . 0 0 "[ . 1]" 1
242 1 20 GLY H 1 23 ALA MB 0.000 . 4.000 3.385 3.251 3.557 . 0 0 "[ . 1]" 1
243 1 19 ASP HB2 1 20 GLY H 0.000 . 5.000 4.284 4.006 4.515 . 0 0 "[ . 1]" 1
244 1 19 ASP H 1 20 GLY H 0.000 . 6.000 4.424 4.370 4.506 . 0 0 "[ . 1]" 1
245 1 17 VAL H 1 24 THR H 0.000 . 4.000 3.891 3.652 4.005 0.005 10 0 "[ . 1]" 1
246 1 20 GLY H 1 21 PRO HD3 0.000 . 6.000 4.855 4.824 4.879 . 0 0 "[ . 1]" 1
247 1 17 VAL H 1 26 PRO HA 0.000 . 4.000 4.006 4.004 4.015 0.015 10 0 "[ . 1]" 1
248 1 17 VAL H 1 17 VAL HB 0.000 . 3.000 2.540 2.344 2.610 . 0 0 "[ . 1]" 1
249 1 17 VAL H 1 17 VAL MG2 0.000 . 3.000 2.140 1.937 2.543 . 0 0 "[ . 1]" 1
250 1 27 ALA HA 1 43 VAL HA 0.000 . 3.000 2.951 2.880 3.002 0.002 4 0 "[ . 1]" 1
251 1 40 LYS HD3 1 40 LYS HG3 0.000 . 3.000 3.034 3.033 3.036 0.036 10 0 "[ . 1]" 1
252 1 37 GLN H 1 37 GLN HB2 0.000 . 4.000 3.663 3.578 3.782 . 0 0 "[ . 1]" 1
253 1 55 THR HA 1 55 THR HB 0.000 . 3.000 2.374 2.329 2.493 . 0 0 "[ . 1]" 1
254 1 14 SER HA 1 28 THR HA 0.000 . 3.000 2.200 1.976 2.463 . 0 0 "[ . 1]" 1
255 1 37 GLN HB2 1 37 GLN HG2 0.000 . 3.000 3.028 3.025 3.031 0.031 5 0 "[ . 1]" 1
256 1 28 THR HA 1 28 THR MG 0.000 . 3.000 2.379 2.259 2.457 . 0 0 "[ . 1]" 1
257 1 39 LEU H 1 55 THR HA 0.000 . 4.000 2.296 2.081 2.757 . 0 0 "[ . 1]" 1
258 1 22 PHE HB3 1 25 LEU MD1 0.000 . 3.000 1.844 1.832 1.869 . 0 0 "[ . 1]" 1
259 1 28 THR HA 1 29 ILE HB 0.000 . 5.000 4.706 4.649 4.763 . 0 0 "[ . 1]" 1
260 1 25 LEU H 1 25 LEU MD1 0.000 . 5.000 4.222 4.211 4.229 . 0 0 "[ . 1]" 1
261 1 9 TYR HB3 1 39 LEU MD1 0.000 . 4.000 2.556 1.891 3.508 . 0 0 "[ . 1]" 1
262 1 25 LEU HB2 1 25 LEU MD1 0.000 . 3.000 2.205 2.197 2.221 . 0 0 "[ . 1]" 1
263 1 39 LEU MD1 1 40 LYS H 0.000 . 5.000 3.376 3.137 4.770 . 0 0 "[ . 1]" 1
264 1 32 VAL HA 1 39 LEU MD1 0.000 . 5.000 3.104 2.798 4.521 . 0 0 "[ . 1]" 1
265 1 32 VAL MG2 1 39 LEU MD1 0.000 . 3.000 1.790 1.583 3.133 0.133 7 0 "[ . 1]" 1
266 1 39 LEU MD1 1 39 LEU MD2 0.000 . 3.000 1.980 1.951 2.046 . 0 0 "[ . 1]" 1
267 1 39 LEU HB2 1 39 LEU MD1 0.000 . 3.000 1.931 1.882 2.189 . 0 0 "[ . 1]" 1
268 1 7 VAL HA 1 7 VAL HB 0.000 . 3.000 2.801 2.409 3.030 0.030 2 0 "[ . 1]" 1
269 1 52 VAL HA 1 52 VAL QG 0.000 . 3.000 2.207 2.031 2.387 . 0 0 "[ . 1]" 1
270 1 42 LEU HA 1 42 LEU HG 0.000 . 4.000 3.132 2.718 3.603 . 0 0 "[ . 1]" 1
271 1 16 THR HA 1 26 PRO HD3 0.000 . 6.000 5.344 5.193 5.529 . 0 0 "[ . 1]" 1
272 1 42 LEU HB3 1 42 LEU HG 0.000 . 3.000 2.659 2.517 3.030 0.030 8 0 "[ . 1]" 1
273 1 28 THR HB 1 42 LEU HG 0.000 . 5.000 4.779 4.024 5.005 0.005 7 0 "[ . 1]" 1
274 1 51 PRO HA 1 51 PRO HB3 0.000 . 3.000 2.288 2.287 2.289 . 0 0 "[ . 1]" 1
275 1 51 PRO HA 1 51 PRO HG3 0.000 . 4.000 4.019 4.014 4.021 0.021 3 0 "[ . 1]" 1
276 1 43 VAL MG2 1 51 PRO HA 0.000 . 6.000 5.947 5.859 5.999 . 0 0 "[ . 1]" 1
277 1 16 THR HA 1 17 VAL HB 0.000 . 5.000 4.740 4.554 4.822 . 0 0 "[ . 1]" 1
278 1 16 THR HA 1 17 VAL H 0.000 . 3.000 2.219 2.191 2.235 . 0 0 "[ . 1]" 1
279 1 45 ILE HA 1 45 ILE QG 0.000 . 4.000 2.704 2.470 3.032 . 0 0 "[ . 1]" 1
280 1 16 THR HA 1 26 PRO HA 0.000 . 3.000 2.740 2.613 2.973 . 0 0 "[ . 1]" 1
281 1 5 VAL HA 1 6 GLU H 0.000 . 4.000 2.623 2.190 3.540 . 0 0 "[ . 1]" 1
282 1 15 VAL HB 1 16 THR HA 0.000 . 6.000 4.789 4.647 4.886 . 0 0 "[ . 1]" 1
283 1 26 PRO HA 1 26 PRO HB3 0.000 . 3.000 2.288 2.287 2.289 . 0 0 "[ . 1]" 1
284 1 32 VAL HA 1 39 LEU HA 0.000 . 3.000 2.011 1.931 2.214 . 0 0 "[ . 1]" 1
285 1 32 VAL HA 1 32 VAL HB 0.000 . 3.000 2.558 2.545 2.575 . 0 0 "[ . 1]" 1
286 1 32 VAL HA 1 32 VAL MG2 0.000 . 3.000 2.153 2.131 2.272 . 0 0 "[ . 1]" 1
287 1 26 PRO HA 1 26 PRO HD3 0.000 . 4.000 3.619 3.612 3.625 . 0 0 "[ . 1]" 1
288 1 25 LEU HG 1 26 PRO HD2 0.000 . 5.000 4.720 4.634 4.776 . 0 0 "[ . 1]" 1
289 1 51 PRO HB2 1 51 PRO HG3 0.000 . 3.000 2.665 2.662 2.673 . 0 0 "[ . 1]" 1
290 1 25 LEU HB2 1 25 LEU HG 0.000 . 3.000 2.506 2.504 2.511 . 0 0 "[ . 1]" 1
291 1 62 ILE H 1 62 ILE HG12 0.000 . 5.000 3.547 2.130 4.152 . 0 0 "[ . 1]" 1
292 1 62 ILE H 1 62 ILE HG13 0.000 . 5.000 2.518 1.931 3.152 . 0 0 "[ . 1]" 1
293 1 62 ILE HA 1 62 ILE HG12 0.000 . 4.000 2.657 2.516 3.787 . 0 0 "[ . 1]" 1
294 1 44 SER HB2 1 45 ILE H 0.000 . 5.000 4.434 4.284 4.600 . 0 0 "[ . 1]" 1
295 1 43 VAL HA 1 44 SER HB3 0.000 . 6.000 5.505 5.088 5.725 . 0 0 "[ . 1]" 1
296 1 29 ILE HA 1 29 ILE HG13 0.000 . 4.000 3.042 2.936 3.171 . 0 0 "[ . 1]" 1
297 1 44 SER HA 1 44 SER HB2 0.000 . 3.000 2.909 2.682 3.031 0.031 8 0 "[ . 1]" 1
298 1 44 SER H 1 44 SER HB3 0.000 . 4.000 3.431 2.914 3.732 . 0 0 "[ . 1]" 1
299 1 29 ILE HA 1 29 ILE HG12 0.000 . 3.000 2.543 2.425 2.622 . 0 0 "[ . 1]" 1
300 1 3 PRO HA 1 3 PRO HB3 0.000 . 3.000 2.287 2.286 2.289 . 0 0 "[ . 1]" 1
301 1 29 ILE HG12 1 39 LEU MD2 0.000 . 6.000 2.127 1.830 3.527 . 0 0 "[ . 1]" 1
302 1 62 ILE HA 1 62 ILE HG13 0.000 . 4.000 3.029 2.902 3.624 . 0 0 "[ . 1]" 1
303 1 43 VAL MG2 1 44 SER HB3 0.000 . 6.000 4.981 4.453 5.304 . 0 0 "[ . 1]" 1
304 1 62 ILE H 1 62 ILE HA 0.000 . 3.000 2.941 2.773 2.988 . 0 0 "[ . 1]" 1
305 1 62 ILE HA 1 62 ILE MG 0.000 . 3.000 2.362 2.288 2.458 . 0 0 "[ . 1]" 1
306 1 29 ILE HA 1 41 VAL HA 0.000 . 3.000 1.977 1.870 2.133 . 0 0 "[ . 1]" 1
307 1 17 VAL HA 1 54 LEU MD1 0.000 . 5.000 4.518 3.028 5.005 0.005 8 0 "[ . 1]" 1
308 1 36 GLN HA 1 36 GLN HB2 0.000 . 3.000 3.026 3.013 3.031 0.031 9 0 "[ . 1]" 1
309 1 36 GLN HB2 1 38 LYS HG2 0.000 . 6.000 4.300 3.919 4.780 . 0 0 "[ . 1]" 1
310 1 20 GLY HA2 1 21 PRO HA 0.000 . 5.000 4.437 4.435 4.439 . 0 0 "[ . 1]" 1
311 1 36 GLN H 1 36 GLN HB2 0.000 . 3.000 2.610 2.497 2.776 . 0 0 "[ . 1]" 1
312 1 21 PRO HA 1 22 PHE H 0.000 . 4.000 3.491 3.448 3.517 . 0 0 "[ . 1]" 1
313 1 13 GLU HA 1 14 SER HB3 0.000 . 5.000 4.795 4.356 4.899 . 0 0 "[ . 1]" 1
314 1 35 GLU HA 1 35 GLU HB3 0.000 . 3.000 2.537 2.506 2.577 . 0 0 "[ . 1]" 1
315 1 35 GLU HB2 1 36 GLN H 0.000 . 4.000 2.519 2.455 2.585 . 0 0 "[ . 1]" 1
316 1 21 PRO HA 1 21 PRO HB3 0.000 . 3.000 2.286 2.286 2.287 . 0 0 "[ . 1]" 1
317 1 61 LYS HB3 1 61 LYS HD3 0.000 . 4.000 2.507 2.459 2.542 . 0 0 "[ . 1]" 1
318 1 61 LYS HA 1 61 LYS HD3 0.000 . 5.000 4.249 4.201 4.297 . 0 0 "[ . 1]" 1
319 1 61 LYS HB2 1 61 LYS HD3 0.000 . 4.000 3.170 3.106 3.226 . 0 0 "[ . 1]" 1
320 1 17 VAL HA 1 60 SER H 0.000 . 5.000 4.445 4.238 4.629 . 0 0 "[ . 1]" 1
321 1 30 SER H 1 30 SER HB3 0.000 . 4.000 3.186 2.376 3.707 . 0 0 "[ . 1]" 1
322 1 30 SER HA 1 30 SER HB2 0.000 . 3.000 2.791 2.372 3.036 0.036 5 0 "[ . 1]" 1
323 1 30 SER HB3 1 40 LYS HD2 0.000 . 6.000 5.649 5.139 6.100 0.100 5 0 "[ . 1]" 1
324 1 17 VAL HB 1 23 ALA HA 0.000 . 4.000 2.681 2.382 3.333 . 0 0 "[ . 1]" 1
325 1 10 GLU HA 1 10 GLU HB2 0.000 . 3.000 3.030 3.026 3.031 0.031 4 0 "[ . 1]" 1
326 1 24 THR HA 1 24 THR MG 0.000 . 3.000 2.182 1.998 2.609 . 0 0 "[ . 1]" 1
327 1 23 ALA HA 1 24 THR HA 0.000 . 5.000 4.487 4.482 4.494 . 0 0 "[ . 1]" 1
328 1 9 TYR HA 1 10 GLU HB2 0.000 . 5.000 4.548 4.480 4.598 . 0 0 "[ . 1]" 1
329 1 11 VAL HA 1 12 GLY HA2 0.000 . 5.000 4.567 4.545 4.583 . 0 0 "[ . 1]" 1
330 1 16 THR MG 1 60 SER QB 0.000 . 4.000 3.790 3.550 3.940 . 0 0 "[ . 1]" 1
331 1 18 MET QG 1 60 SER QB 0.000 . 4.000 2.625 1.826 2.988 . 0 0 "[ . 1]" 1
332 1 53 GLU H 1 53 GLU HB2 0.000 . 4.000 2.749 2.530 2.939 . 0 0 "[ . 1]" 1
333 1 60 SER QB 1 61 LYS H 0.000 . 4.000 3.530 2.918 3.700 . 0 0 "[ . 1]" 1
334 1 53 GLU HA 1 53 GLU HB3 0.000 . 3.000 2.916 2.456 3.035 0.035 6 0 "[ . 1]" 1
335 1 18 MET QG 1 59 VAL HA 0.000 . 3.000 2.387 1.989 2.861 . 0 0 "[ . 1]" 1
336 1 18 MET H 1 18 MET QG 0.000 . 3.000 2.669 2.460 2.912 . 0 0 "[ . 1]" 1
337 1 53 GLU HB2 1 53 GLU HG3 0.000 . 3.000 2.458 2.421 2.486 . 0 0 "[ . 1]" 1
338 1 13 GLU H 1 13 GLU QB 0.000 . 3.000 2.362 2.312 2.502 . 0 0 "[ . 1]" 1
339 1 21 PRO HB3 1 21 PRO HD3 0.000 . 4.000 3.085 3.068 3.102 . 0 0 "[ . 1]" 1
340 1 55 THR H 1 58 GLN HB2 0.000 . 4.000 2.744 2.597 2.853 . 0 0 "[ . 1]" 1
341 1 58 GLN HA 1 58 GLN HB2 0.000 . 3.000 3.028 3.024 3.034 0.034 1 0 "[ . 1]" 1
342 1 58 GLN H 1 58 GLN HB2 0.000 . 4.000 2.604 2.429 2.699 . 0 0 "[ . 1]" 1
343 1 51 PRO HB2 1 52 VAL H 0.000 . 4.000 3.254 3.124 3.412 . 0 0 "[ . 1]" 1
344 1 54 LEU MD2 1 58 GLN HB2 0.000 . 4.000 2.820 2.637 3.083 . 0 0 "[ . 1]" 1
345 1 26 PRO HB2 1 26 PRO HD2 0.000 . 4.000 4.050 4.048 4.053 0.053 9 0 "[ . 1]" 1
346 1 26 PRO HB2 1 27 ALA H 0.000 . 5.000 3.424 3.219 3.681 . 0 0 "[ . 1]" 1
347 1 18 MET HA 1 18 MET HB3 0.000 . 3.000 2.473 2.385 2.557 . 0 0 "[ . 1]" 1
348 1 17 VAL HA 1 18 MET HB3 0.000 . 6.000 5.733 5.688 5.749 . 0 0 "[ . 1]" 1
349 1 61 LYS H 1 61 LYS HB2 0.000 . 4.000 2.461 2.436 2.486 . 0 0 "[ . 1]" 1
350 1 43 VAL H 1 43 VAL HB 0.000 . 4.000 2.783 2.740 2.823 . 0 0 "[ . 1]" 1
351 1 43 VAL HB 1 50 THR HB 0.000 . 5.000 4.826 4.615 5.001 0.001 7 0 "[ . 1]" 1
352 1 36 GLN HA 1 36 GLN QG 0.000 . 3.000 2.565 2.399 2.967 . 0 0 "[ . 1]" 1
353 1 36 GLN H 1 36 GLN QG 0.000 . 4.000 2.331 2.120 2.466 . 0 0 "[ . 1]" 1
354 1 37 GLN H 1 37 GLN HG3 0.000 . 4.000 2.686 2.504 2.911 . 0 0 "[ . 1]" 1
355 1 37 GLN HB3 1 37 GLN HG2 0.000 . 3.000 2.460 2.390 2.538 . 0 0 "[ . 1]" 1
356 1 24 THR H 1 24 THR HB 0.000 . 4.000 3.878 3.830 4.038 0.038 10 0 "[ . 1]" 1
357 1 31 GLU QB 1 40 LYS QB 0.000 . 3.000 1.916 1.737 1.989 . 0 0 "[ . 1]" 1
358 1 41 VAL HA 1 41 VAL HB 0.000 . 3.000 2.517 2.465 2.618 . 0 0 "[ . 1]" 1
359 1 29 ILE HA 1 41 VAL HB 0.000 . 5.000 3.341 3.040 3.635 . 0 0 "[ . 1]" 1
360 1 16 THR HB 1 60 SER H 0.000 . 4.000 3.127 2.908 3.458 . 0 0 "[ . 1]" 1
361 1 19 ASP HB3 1 58 GLN HG2 0.000 . 5.000 4.036 2.971 4.996 . 0 0 "[ . 1]" 1
362 1 16 THR H 1 16 THR HB 0.000 . 4.000 2.563 2.526 2.586 . 0 0 "[ . 1]" 1
363 1 58 GLN H 1 58 GLN HG3 0.000 . 4.000 2.373 2.094 3.803 . 0 0 "[ . 1]" 1
364 1 16 THR HB 1 59 VAL HB 0.000 . 6.000 5.328 5.123 5.614 . 0 0 "[ . 1]" 1
365 1 58 GLN H 1 58 GLN HG2 0.000 . 3.000 2.793 2.376 2.980 . 0 0 "[ . 1]" 1
366 1 55 THR H 1 58 GLN HG2 0.000 . 5.000 3.594 2.552 3.771 . 0 0 "[ . 1]" 1
367 1 58 GLN HA 1 58 GLN HG2 0.000 . 4.000 2.524 2.371 3.093 . 0 0 "[ . 1]" 1
368 1 58 GLN HA 1 58 GLN HG3 0.000 . 4.000 3.470 3.392 3.629 . 0 0 "[ . 1]" 1
369 1 55 THR H 1 58 GLN HG3 0.000 . 5.000 2.296 1.848 2.435 . 0 0 "[ . 1]" 1
370 1 52 VAL HA 1 52 VAL HB 0.000 . 3.000 2.777 2.385 3.030 0.030 2 0 "[ . 1]" 1
371 1 28 THR HB 1 42 LEU HA 0.000 . 6.000 5.632 5.300 5.838 . 0 0 "[ . 1]" 1
372 1 59 VAL HA 1 59 VAL HB 0.000 . 3.000 2.445 2.430 2.459 . 0 0 "[ . 1]" 1
373 1 38 LYS HB3 1 55 THR HB 0.000 . 6.000 5.549 5.223 5.760 . 0 0 "[ . 1]" 1
374 1 15 VAL HB 1 59 VAL HB 0.000 . 4.000 2.062 1.867 2.474 . 0 0 "[ . 1]" 1
375 1 28 THR HB 1 42 LEU HB3 0.000 . 5.000 3.515 2.681 5.180 0.180 8 0 "[ . 1]" 1
376 1 10 GLU H 1 10 GLU QG 0.000 . 5.000 2.907 2.855 3.011 . 0 0 "[ . 1]" 1
377 1 55 THR HB 1 58 GLN HG3 0.000 . 5.000 3.912 3.641 4.582 . 0 0 "[ . 1]" 1
378 1 15 VAL HA 1 15 VAL HB 0.000 . 3.000 2.469 2.444 2.493 . 0 0 "[ . 1]" 1
379 1 13 GLU H 1 13 GLU HG2 0.000 . 5.000 4.078 2.339 4.708 . 0 0 "[ . 1]" 1
380 1 13 GLU H 1 13 GLU HG3 0.000 . 5.000 3.994 2.104 4.547 . 0 0 "[ . 1]" 1
381 1 13 GLU HA 1 13 GLU HG2 0.000 . 4.000 2.903 2.441 3.702 . 0 0 "[ . 1]" 1
382 1 13 GLU HA 1 13 GLU HG3 0.000 . 4.000 2.768 2.465 3.660 . 0 0 "[ . 1]" 1
383 1 22 PHE H 1 22 PHE HB3 0.000 . 4.000 3.661 3.634 3.685 . 0 0 "[ . 1]" 1
384 1 22 PHE H 1 22 PHE HB2 0.000 . 4.000 2.462 2.408 2.508 . 0 0 "[ . 1]" 1
385 1 22 PHE HB2 1 25 LEU HB2 0.000 . 6.000 3.968 3.922 4.021 . 0 0 "[ . 1]" 1
386 1 45 ILE HB 1 49 GLU HG2 0.000 . 6.000 5.292 4.789 5.572 . 0 0 "[ . 1]" 1
387 1 50 THR H 1 50 THR HB 0.000 . 4.000 2.688 2.596 2.775 . 0 0 "[ . 1]" 1
388 1 53 GLU H 1 53 GLU HG2 0.000 . 5.000 4.289 3.524 4.518 . 0 0 "[ . 1]" 1
389 1 28 THR MG 1 29 ILE HB 0.000 . 5.000 3.931 3.773 4.148 . 0 0 "[ . 1]" 1
390 1 53 GLU HB3 1 53 GLU HG2 0.000 . 3.000 2.481 2.452 2.513 . 0 0 "[ . 1]" 1
391 1 53 GLU HA 1 53 GLU HG3 0.000 . 4.000 2.597 2.387 3.170 . 0 0 "[ . 1]" 1
392 1 53 GLU HA 1 53 GLU HG2 0.000 . 4.000 2.871 2.457 3.071 . 0 0 "[ . 1]" 1
393 1 13 GLU H 1 29 ILE HB 0.000 . 4.000 3.086 2.823 3.550 . 0 0 "[ . 1]" 1
394 1 33 ASN HB2 1 38 LYS HB2 0.000 . 4.000 3.162 2.777 3.472 . 0 0 "[ . 1]" 1
395 1 29 ILE HB 1 29 ILE HG13 0.000 . 3.000 2.489 2.429 2.527 . 0 0 "[ . 1]" 1
396 1 38 LYS H 1 38 LYS HB2 0.000 . 3.000 2.568 2.487 2.614 . 0 0 "[ . 1]" 1
397 1 33 ASN HB3 1 38 LYS HB2 0.000 . 3.000 1.986 1.884 2.158 . 0 0 "[ . 1]" 1
398 1 11 VAL HA 1 29 ILE HB 0.000 . 3.000 2.588 2.387 2.843 . 0 0 "[ . 1]" 1
399 1 56 PHE H 1 56 PHE HB3 0.000 . 4.000 3.614 3.600 3.620 . 0 0 "[ . 1]" 1
400 1 38 LYS HB2 1 38 LYS HG2 0.000 . 3.000 3.017 2.997 3.028 0.028 7 0 "[ . 1]" 1
401 1 56 PHE HA 1 56 PHE HB3 0.000 . 3.000 2.529 2.487 2.576 . 0 0 "[ . 1]" 1
402 1 37 GLN HB3 1 56 PHE HB3 0.000 . 6.000 5.344 4.855 5.556 . 0 0 "[ . 1]" 1
403 1 38 LYS H 1 38 LYS HB3 0.000 . 4.000 3.754 3.700 3.785 . 0 0 "[ . 1]" 1
404 1 56 PHE H 1 56 PHE HB2 0.000 . 4.000 2.459 2.376 2.537 . 0 0 "[ . 1]" 1
405 1 37 GLN HB3 1 56 PHE HB2 0.000 . 6.000 3.827 3.434 4.070 . 0 0 "[ . 1]" 1
406 1 38 LYS HB3 1 39 LEU H 0.000 . 4.000 3.101 2.654 3.552 . 0 0 "[ . 1]" 1
407 1 33 ASN HB3 1 38 LYS HB3 0.000 . 4.000 3.469 3.103 3.707 . 0 0 "[ . 1]" 1
408 1 33 ASN HA 1 33 ASN HB2 0.000 . 3.000 2.581 2.528 2.677 . 0 0 "[ . 1]" 1
409 1 62 ILE HB 1 62 ILE HG13 0.000 . 3.000 2.504 2.487 2.523 . 0 0 "[ . 1]" 1
410 1 62 ILE HA 1 62 ILE HB 0.000 . 3.000 2.968 2.408 3.031 0.031 9 0 "[ . 1]" 1
411 1 25 LEU HB2 1 26 PRO HD2 0.000 . 5.000 3.828 3.624 3.953 . 0 0 "[ . 1]" 1
412 1 25 LEU HB3 1 43 VAL MG1 0.000 . 6.000 5.954 5.847 6.006 0.006 9 0 "[ . 1]" 1
413 1 25 LEU HA 1 25 LEU HB3 0.000 . 3.000 2.438 2.435 2.441 . 0 0 "[ . 1]" 1
414 1 25 LEU H 1 25 LEU HB3 0.000 . 4.000 3.965 3.957 3.970 . 0 0 "[ . 1]" 1
415 1 25 LEU HB3 1 26 PRO HD2 0.000 . 4.000 2.398 2.136 2.564 . 0 0 "[ . 1]" 1
416 1 17 VAL HB 1 25 LEU HB2 0.000 . 6.000 3.014 2.656 3.273 . 0 0 "[ . 1]" 1
417 1 61 LYS HB3 1 61 LYS HE3 0.000 . 5.000 4.575 4.368 4.787 . 0 0 "[ . 1]" 1
418 1 9 TYR HA 1 61 LYS HE2 0.000 . 5.000 3.290 2.785 4.014 . 0 0 "[ . 1]" 1
419 1 9 TYR HA 1 61 LYS HE3 0.000 . 5.000 4.134 3.372 4.911 . 0 0 "[ . 1]" 1
420 1 15 VAL MG1 1 61 LYS HE2 0.000 . 5.000 4.289 3.687 5.739 0.739 3 1 "[ + . 1]" 1
421 1 8 ASP H 1 8 ASP HB3 0.000 . 4.000 3.392 2.713 3.731 . 0 0 "[ . 1]" 1
422 1 8 ASP HA 1 8 ASP HB2 0.000 . 3.000 2.876 2.562 3.029 0.029 9 0 "[ . 1]" 1
423 1 8 ASP HA 1 8 ASP HB3 0.000 . 3.000 2.719 2.512 3.021 0.021 7 0 "[ . 1]" 1
424 1 9 TYR HB2 1 39 LEU MD1 0.000 . 4.000 2.140 1.827 2.469 . 0 0 "[ . 1]" 1
425 1 9 TYR H 1 9 TYR HB3 0.000 . 4.000 3.755 3.699 3.917 . 0 0 "[ . 1]" 1
426 1 9 TYR HB2 1 32 VAL MG2 0.000 . 5.000 2.816 2.187 3.334 . 0 0 "[ . 1]" 1
427 1 9 TYR HA 1 9 TYR HB3 0.000 . 3.000 2.454 2.422 2.471 . 0 0 "[ . 1]" 1
428 1 9 TYR HB3 1 10 GLU H 0.000 . 3.000 2.770 2.422 2.999 . 0 0 "[ . 1]" 1
429 1 9 TYR HB2 1 10 GLU H 0.000 . 4.000 3.788 3.409 3.928 . 0 0 "[ . 1]" 1
430 1 42 LEU HB3 1 43 VAL H 0.000 . 5.000 3.873 3.091 4.182 . 0 0 "[ . 1]" 1
431 1 28 THR H 1 42 LEU HB3 0.000 . 5.000 4.013 3.150 5.278 0.278 8 0 "[ . 1]" 1
432 1 42 LEU HB2 1 42 LEU HG 0.000 . 3.000 2.784 2.417 3.028 0.028 2 0 "[ . 1]" 1
433 1 42 LEU H 1 42 LEU HB2 0.000 . 4.000 2.849 2.725 3.003 . 0 0 "[ . 1]" 1
434 1 42 LEU HA 1 42 LEU HB2 0.000 . 3.000 2.578 2.406 3.021 0.021 6 0 "[ . 1]" 1
435 1 12 GLY HA3 1 28 THR MG 0.000 . 5.000 4.246 4.096 4.447 . 0 0 "[ . 1]" 1
436 1 12 GLY HA2 1 28 THR MG 0.000 . 4.000 2.932 2.750 3.106 . 0 0 "[ . 1]" 1
437 1 12 GLY H 1 12 GLY HA2 0.000 . 3.000 2.416 2.407 2.431 . 0 0 "[ . 1]" 1
438 1 11 VAL MG1 1 12 GLY HA2 0.000 . 5.000 3.399 3.238 3.521 . 0 0 "[ . 1]" 1
439 1 12 GLY HA3 1 13 GLU H 0.000 . 4.000 3.141 3.003 3.207 . 0 0 "[ . 1]" 1
440 1 11 VAL MG1 1 12 GLY HA3 0.000 . 4.000 3.571 3.440 3.669 . 0 0 "[ . 1]" 1
441 1 20 GLY HA2 1 21 PRO HD3 0.000 . 3.000 2.545 2.511 2.576 . 0 0 "[ . 1]" 1
442 1 20 GLY H 1 20 GLY HA2 0.000 . 3.000 2.489 2.449 2.519 . 0 0 "[ . 1]" 1
443 1 47 GLY H 1 47 GLY HA2 0.000 . 3.000 2.349 2.345 2.363 . 0 0 "[ . 1]" 1
444 1 57 GLY HA3 1 58 GLN H 0.000 . 6.000 3.031 3.001 3.096 . 0 0 "[ . 1]" 1
445 1 19 ASP H 1 19 ASP HB2 0.000 . 3.000 2.860 2.486 3.305 0.305 2 0 "[ . 1]" 1
446 1 19 ASP HB3 1 20 GLY H 0.000 . 4.000 3.730 3.336 4.005 0.005 8 0 "[ . 1]" 1
447 1 39 LEU HB3 1 39 LEU MD2 0.000 . 3.000 2.103 2.082 2.131 . 0 0 "[ . 1]" 1
448 1 39 LEU H 1 39 LEU HB3 0.000 . 3.000 2.757 2.553 3.711 0.711 7 1 "[ . + 1]" 1
449 1 39 LEU HB3 1 40 LYS H 0.000 . 4.000 3.741 2.755 3.930 . 0 0 "[ . 1]" 1
450 1 54 LEU HA 1 54 LEU HB2 0.000 . 3.000 3.029 3.023 3.031 0.031 8 0 "[ . 1]" 1
451 1 54 LEU HA 1 54 LEU HB3 0.000 . 3.000 2.491 2.422 2.555 . 0 0 "[ . 1]" 1
452 1 54 LEU HB3 1 54 LEU HG 0.000 . 3.000 2.729 2.585 3.027 0.027 10 0 "[ . 1]" 1
453 1 54 LEU HB3 1 54 LEU MD2 0.000 . 3.000 2.114 2.017 2.408 . 0 0 "[ . 1]" 1
454 1 54 LEU H 1 54 LEU HB2 0.000 . 4.000 2.744 2.547 2.882 . 0 0 "[ . 1]" 1
455 1 45 ILE HA 1 45 ILE MD 0.000 . 4.000 3.134 1.880 3.888 . 0 0 "[ . 1]" 1
456 1 62 ILE HB 1 62 ILE MD 0.000 . 3.000 2.295 2.203 2.395 . 0 0 "[ . 1]" 1
457 1 9 TYR HA 1 29 ILE MD 0.000 . 4.000 3.549 3.376 3.749 . 0 0 "[ . 1]" 1
458 1 29 ILE HA 1 29 ILE MD 0.000 . 4.000 3.816 3.746 3.857 . 0 0 "[ . 1]" 1
459 1 21 PRO HD2 1 22 PHE H 0.000 . 3.000 2.607 2.564 2.697 . 0 0 "[ . 1]" 1
460 1 29 ILE MD 1 39 LEU MD2 0.000 . 3.000 2.282 1.982 2.788 . 0 0 "[ . 1]" 1
461 1 21 PRO HB3 1 21 PRO HD2 0.000 . 4.000 3.904 3.900 3.909 . 0 0 "[ . 1]" 1
462 1 20 GLY HA3 1 21 PRO HD3 0.000 . 3.000 3.020 3.015 3.024 0.024 3 0 "[ . 1]" 1
463 1 9 TYR HB3 1 29 ILE MD 0.000 . 4.000 1.891 1.754 2.047 . 0 0 "[ . 1]" 1
464 1 20 GLY HA3 1 21 PRO HD2 0.000 . 4.000 2.280 2.256 2.303 . 0 0 "[ . 1]" 1
465 1 25 LEU HA 1 26 PRO HD2 0.000 . 3.000 2.262 2.193 2.377 . 0 0 "[ . 1]" 1
466 1 25 LEU MD2 1 26 PRO HD3 0.000 . 5.000 3.305 3.189 3.367 . 0 0 "[ . 1]" 1
467 1 25 LEU HB3 1 26 PRO HD3 0.000 . 4.000 3.778 3.555 3.919 . 0 0 "[ . 1]" 1
468 1 25 LEU HA 1 26 PRO HD3 0.000 . 3.000 2.297 2.285 2.328 . 0 0 "[ . 1]" 1
469 1 26 PRO HB2 1 26 PRO HD3 0.000 . 4.000 3.926 3.921 3.929 . 0 0 "[ . 1]" 1
470 1 27 ALA HA 1 28 THR H 0.000 . 3.000 2.385 2.273 2.447 . 0 0 "[ . 1]" 1
471 1 2 ARG HA 1 3 PRO HD3 0.000 . 4.000 3.130 2.375 4.028 0.028 2 0 "[ . 1]" 1
472 1 2 ARG HA 1 3 PRO HD2 0.000 . 4.000 2.692 1.965 3.814 . 0 0 "[ . 1]" 1
473 1 32 VAL MG2 1 33 ASN HA 0.000 . 5.000 4.042 3.936 4.114 . 0 0 "[ . 1]" 1
474 1 50 THR MG 1 51 PRO HD3 0.000 . 4.000 3.724 3.532 3.998 . 0 0 "[ . 1]" 1
475 1 33 ASN HA 1 34 ALA MB 0.000 . 5.000 4.140 4.096 4.242 . 0 0 "[ . 1]" 1
476 1 51 PRO HD3 1 51 PRO HG3 0.000 . 3.000 2.306 2.298 2.310 . 0 0 "[ . 1]" 1
477 1 50 THR MG 1 51 PRO HD2 0.000 . 4.000 2.491 2.225 2.920 . 0 0 "[ . 1]" 1
478 1 45 ILE MG 1 46 PHE HB3 0.000 . 5.000 4.291 3.389 4.533 . 0 0 "[ . 1]" 1
479 1 44 SER HA 1 45 ILE MG 0.000 . 6.000 5.505 5.468 5.532 . 0 0 "[ . 1]" 1
480 1 15 VAL MG2 1 59 VAL QG 0.000 . 3.000 2.252 1.940 2.411 . 0 0 "[ . 1]" 1
481 1 56 PHE HA 1 59 VAL QG 0.000 . 4.000 3.508 3.399 3.764 . 0 0 "[ . 1]" 1
482 1 39 LEU MD2 1 59 VAL QG 0.000 . 4.000 2.388 1.996 4.026 0.026 7 0 "[ . 1]" 1
483 1 42 LEU HA 1 51 PRO HB3 0.000 . 4.000 3.444 3.356 3.529 . 0 0 "[ . 1]" 1
484 1 42 LEU HA 1 51 PRO HA 0.000 . 3.000 1.863 1.828 1.980 . 0 0 "[ . 1]" 1
485 1 42 LEU HA 1 43 VAL H 0.000 . 3.000 2.248 2.238 2.256 . 0 0 "[ . 1]" 1
486 1 23 ALA MB 1 24 THR H 0.000 . 3.000 3.037 3.021 3.053 0.053 9 0 "[ . 1]" 1
487 1 19 ASP HA 1 23 ALA MB 0.000 . 5.000 3.274 2.833 3.831 . 0 0 "[ . 1]" 1
488 1 18 MET HA 1 23 ALA HA 0.000 . 4.000 3.334 2.591 3.731 . 0 0 "[ . 1]" 1
489 1 17 VAL MG2 1 23 ALA HA 0.000 . 6.000 4.147 3.890 4.518 . 0 0 "[ . 1]" 1
490 1 34 ALA MB 1 36 GLN H 0.000 . 5.000 4.705 4.630 4.790 . 0 0 "[ . 1]" 1
491 1 32 VAL MG2 1 34 ALA MB 0.000 . 4.000 3.461 2.890 3.656 . 0 0 "[ . 1]" 1
492 1 32 VAL MG1 1 34 ALA MB 0.000 . 5.000 3.450 3.298 3.665 . 0 0 "[ . 1]" 1
493 1 17 VAL H 1 25 LEU HA 0.000 . 5.000 4.639 4.523 4.731 . 0 0 "[ . 1]" 1
494 1 7 VAL QG 1 8 ASP HA 0.000 . 6.000 3.693 3.386 3.948 . 0 0 "[ . 1]" 1
495 1 25 LEU HA 1 25 LEU HG 0.000 . 4.000 3.050 3.044 3.056 . 0 0 "[ . 1]" 1
496 1 10 GLU HA 1 11 VAL MG2 0.000 . 6.000 3.513 3.441 3.625 . 0 0 "[ . 1]" 1
497 1 18 MET HA 1 18 MET QG 0.000 . 4.000 2.570 2.232 2.968 . 0 0 "[ . 1]" 1
498 1 18 MET HA 1 23 ALA MB 0.000 . 4.000 3.267 2.665 3.681 . 0 0 "[ . 1]" 1
499 1 9 TYR HB3 1 29 ILE MG 0.000 . 4.000 3.483 3.189 3.972 . 0 0 "[ . 1]" 1
500 1 29 ILE MG 1 31 GLU H 0.000 . 4.000 2.640 2.374 2.979 . 0 0 "[ . 1]" 1
501 1 11 VAL HA 1 29 ILE MG 0.000 . 3.000 2.328 2.133 2.431 . 0 0 "[ . 1]" 1
502 1 29 ILE MG 1 39 LEU HB2 0.000 . 5.000 4.561 4.351 4.659 . 0 0 "[ . 1]" 1
503 1 29 ILE HA 1 29 ILE MG 0.000 . 3.000 2.297 2.188 2.386 . 0 0 "[ . 1]" 1
504 1 11 VAL MG2 1 29 ILE MG 0.000 . 3.000 2.747 2.634 2.853 . 0 0 "[ . 1]" 1
505 1 29 ILE MG 1 30 SER H 0.000 . 3.000 2.685 2.319 2.807 . 0 0 "[ . 1]" 1
506 1 38 LYS HA 1 56 PHE H 0.000 . 4.000 3.361 3.009 3.900 . 0 0 "[ . 1]" 1
507 1 29 ILE MG 1 41 VAL QG 0.000 . 5.000 3.026 2.749 3.556 . 0 0 "[ . 1]" 1
508 1 41 VAL QG 1 54 LEU HG 0.000 . 5.000 3.705 2.768 4.355 . 0 0 "[ . 1]" 1
509 1 38 LYS HA 1 38 LYS HB3 0.000 . 3.000 2.530 2.490 2.588 . 0 0 "[ . 1]" 1
510 1 38 LYS HA 1 55 THR HA 0.000 . 3.000 2.265 1.902 2.467 . 0 0 "[ . 1]" 1
511 1 38 LYS HA 1 39 LEU H 0.000 . 3.000 2.267 2.186 2.377 . 0 0 "[ . 1]" 1
512 1 38 LYS HA 1 38 LYS HG2 0.000 . 3.000 2.296 2.232 2.338 . 0 0 "[ . 1]" 1
513 1 50 THR HA 1 50 THR MG 0.000 . 3.000 2.408 2.255 2.501 . 0 0 "[ . 1]" 1
514 1 53 GLU HA 1 54 LEU H 0.000 . 3.000 2.235 2.193 2.299 . 0 0 "[ . 1]" 1
515 1 32 VAL MG2 1 34 ALA HA 0.000 . 4.000 3.781 3.718 3.881 . 0 0 "[ . 1]" 1
516 1 34 ALA HA 1 36 GLN H 0.000 . 5.000 4.355 4.226 4.521 . 0 0 "[ . 1]" 1
517 1 40 LYS HA 1 40 LYS HG3 0.000 . 4.000 2.711 2.401 3.248 . 0 0 "[ . 1]" 1
518 1 40 LYS HA 1 40 LYS QE 0.000 . 5.000 4.586 4.406 4.826 . 0 0 "[ . 1]" 1
519 1 40 LYS HA 1 54 LEU H 0.000 . 4.000 2.574 2.405 3.062 . 0 0 "[ . 1]" 1
520 1 43 VAL H 1 43 VAL MG1 0.000 . 4.000 2.213 2.169 2.268 . 0 0 "[ . 1]" 1
521 1 40 LYS HA 1 53 GLU HG3 0.000 . 5.000 3.430 2.699 4.985 . 0 0 "[ . 1]" 1
522 1 11 VAL MG1 1 13 GLU H 0.000 . 5.000 4.181 4.103 4.322 . 0 0 "[ . 1]" 1
523 1 4 VAL H 1 5 VAL MG2 0.000 . 6.000 5.188 3.035 6.643 0.643 10 1 "[ . +]" 1
524 1 22 PHE HA 1 23 ALA H 0.000 . 4.000 3.218 3.174 3.261 . 0 0 "[ . 1]" 1
525 1 54 LEU MD2 1 58 GLN HA 0.000 . 6.000 4.537 4.051 4.999 . 0 0 "[ . 1]" 1
526 1 22 PHE HA 1 22 PHE HB3 0.000 . 3.000 2.492 2.459 2.517 . 0 0 "[ . 1]" 1
527 1 5 VAL MG2 1 6 GLU HA 0.000 . 6.000 4.397 3.350 5.822 . 0 0 "[ . 1]" 1
528 1 19 ASP HB3 1 58 GLN HA 0.000 . 5.000 3.892 2.956 4.509 . 0 0 "[ . 1]" 1
529 1 4 VAL HA 1 5 VAL MG2 0.000 . 6.000 3.943 3.339 5.514 . 0 0 "[ . 1]" 1
530 1 18 MET HB2 1 58 GLN HA 0.000 . 4.000 3.041 2.487 3.675 . 0 0 "[ . 1]" 1
531 1 32 VAL MG1 1 39 LEU HG 0.000 . 5.000 5.008 5.003 5.013 0.013 4 0 "[ . 1]" 1
532 1 31 GLU H 1 32 VAL MG1 0.000 . 6.000 5.508 5.419 5.647 . 0 0 "[ . 1]" 1
533 1 11 VAL H 1 11 VAL MG1 0.000 . 4.000 3.780 3.770 3.795 . 0 0 "[ . 1]" 1
534 1 11 VAL HA 1 11 VAL MG1 0.000 . 3.000 2.303 2.227 2.404 . 0 0 "[ . 1]" 1
535 1 32 VAL MG1 1 32 VAL MG2 0.000 . 3.000 1.984 1.919 2.060 . 0 0 "[ . 1]" 1
536 1 17 VAL MG2 1 19 ASP H 0.000 . 5.000 4.828 4.712 4.999 . 0 0 "[ . 1]" 1
537 1 11 VAL MG2 1 31 GLU HA 0.000 . 4.000 2.590 2.347 2.751 . 0 0 "[ . 1]" 1
538 1 6 GLU HA 1 6 GLU HB2 0.000 . 3.000 2.878 2.516 3.035 0.035 9 0 "[ . 1]" 1
539 1 31 GLU HA 1 32 VAL MG1 0.000 . 4.000 3.953 3.923 4.000 . 0 0 "[ . 1]" 1
540 1 6 GLU HA 1 7 VAL HB 0.000 . 6.000 5.037 4.576 6.006 0.006 9 0 "[ . 1]" 1
541 1 49 GLU HA 1 50 THR MG 0.000 . 6.000 5.491 5.469 5.510 . 0 0 "[ . 1]" 1
542 1 52 VAL QG 1 54 LEU HG 0.000 . 4.000 2.702 2.131 3.171 . 0 0 "[ . 1]" 1
543 1 37 GLN HA 1 37 GLN HG2 0.000 . 3.000 2.646 2.581 2.707 . 0 0 "[ . 1]" 1
544 1 34 ALA HA 1 37 GLN HA 0.000 . 4.000 2.865 2.679 2.981 . 0 0 "[ . 1]" 1
545 1 44 SER HB2 1 49 GLU HA 0.000 . 6.000 5.520 5.144 5.769 . 0 0 "[ . 1]" 1
546 1 22 PHE HA 1 25 LEU MD2 0.000 . 6.000 4.275 4.172 4.341 . 0 0 "[ . 1]" 1
547 1 14 SER HA 1 28 THR MG 0.000 . 4.000 3.396 3.077 3.679 . 0 0 "[ . 1]" 1
548 1 28 THR H 1 28 THR MG 0.000 . 4.000 3.863 3.822 3.879 . 0 0 "[ . 1]" 1
549 1 37 GLN H 1 37 GLN HA 0.000 . 3.000 2.348 2.346 2.352 . 0 0 "[ . 1]" 1
550 1 43 VAL MG2 1 44 SER H 0.000 . 3.000 2.297 2.050 2.488 . 0 0 "[ . 1]" 1
551 1 43 VAL HA 1 43 VAL MG2 0.000 . 3.000 2.200 2.102 2.296 . 0 0 "[ . 1]" 1
552 1 49 GLU HA 1 49 GLU HG3 0.000 . 4.000 3.206 3.106 3.878 . 0 0 "[ . 1]" 1
553 1 29 ILE HA 1 41 VAL QG 0.000 . 4.000 2.045 1.842 2.207 . 0 0 "[ . 1]" 1
554 1 43 VAL MG2 1 45 ILE QG 0.000 . 6.000 2.809 2.449 3.236 . 0 0 "[ . 1]" 1
555 1 45 ILE H 1 49 GLU HA 0.000 . 4.000 2.503 2.336 2.665 . 0 0 "[ . 1]" 1
556 1 22 PHE HB2 1 43 VAL MG2 0.000 . 6.000 4.302 3.846 5.069 . 0 0 "[ . 1]" 1
557 1 49 GLU HA 1 50 THR HB 0.000 . 5.000 4.613 4.480 4.755 . 0 0 "[ . 1]" 1
558 1 43 VAL MG1 1 44 SER HA 0.000 . 4.000 3.790 3.766 3.816 . 0 0 "[ . 1]" 1
559 1 15 VAL MG1 1 60 SER HA 0.000 . 6.000 5.053 4.765 5.224 . 0 0 "[ . 1]" 1
560 1 17 VAL HA 1 17 VAL MG2 0.000 . 3.000 2.348 2.199 2.456 . 0 0 "[ . 1]" 1
561 1 13 GLU HA 1 14 SER HA 0.000 . 5.000 4.428 4.414 4.438 . 0 0 "[ . 1]" 1
562 1 44 SER HA 1 44 SER HB3 0.000 . 3.000 2.673 2.455 2.983 . 0 0 "[ . 1]" 1
563 1 8 ASP HB3 1 9 TYR HA 0.000 . 5.000 4.632 4.494 4.847 . 0 0 "[ . 1]" 1
564 1 44 SER HA 1 45 ILE QG 0.000 . 4.000 3.633 3.458 3.899 . 0 0 "[ . 1]" 1
565 1 16 THR MG 1 59 VAL HB 0.000 . 6.000 5.781 5.567 5.990 . 0 0 "[ . 1]" 1
566 1 43 VAL HB 1 44 SER HA 0.000 . 6.000 5.866 5.851 5.878 . 0 0 "[ . 1]" 1
567 1 55 THR H 1 55 THR MG 0.000 . 3.000 2.388 2.127 2.772 . 0 0 "[ . 1]" 1
568 1 41 VAL HA 1 42 LEU HA 0.000 . 5.000 4.435 4.427 4.441 . 0 0 "[ . 1]" 1
569 1 38 LYS QE 1 55 THR MG 0.000 . 4.000 3.808 3.471 4.003 0.003 6 0 "[ . 1]" 1
570 1 25 LEU HB3 1 25 LEU MD2 0.000 . 3.000 2.341 2.321 2.375 . 0 0 "[ . 1]" 1
571 1 25 LEU MD2 1 26 PRO HD2 0.000 . 5.000 2.746 2.671 2.876 . 0 0 "[ . 1]" 1
572 1 25 LEU H 1 25 LEU MD2 0.000 . 5.000 3.836 3.808 3.849 . 0 0 "[ . 1]" 1
573 1 61 LYS HA 1 61 LYS HB3 0.000 . 3.000 2.489 2.473 2.501 . 0 0 "[ . 1]" 1
574 1 15 VAL HA 1 61 LYS HA 0.000 . 4.000 2.978 2.676 3.406 . 0 0 "[ . 1]" 1
575 1 27 ALA MB 1 41 VAL HA 0.000 . 5.000 4.166 3.903 4.385 . 0 0 "[ . 1]" 1
576 1 41 VAL HA 1 41 VAL QG 0.000 . 3.000 2.245 2.204 2.310 . 0 0 "[ . 1]" 1
577 1 17 VAL MG1 1 23 ALA MB 0.000 . 5.000 3.166 3.018 3.285 . 0 0 "[ . 1]" 1
578 1 17 VAL MG1 1 22 PHE HB3 0.000 . 6.000 3.284 2.896 3.451 . 0 0 "[ . 1]" 1
579 1 17 VAL MG1 1 23 ALA HA 0.000 . 4.000 2.114 1.854 2.384 . 0 0 "[ . 1]" 1
580 1 17 VAL MG1 1 59 VAL QG 0.000 . 4.000 3.777 3.617 3.929 . 0 0 "[ . 1]" 1
581 1 52 VAL QG 1 59 VAL QG 0.000 . 6.000 4.850 4.378 5.361 . 0 0 "[ . 1]" 1
582 1 18 MET HA 1 59 VAL QG 0.000 . 6.000 5.609 5.430 5.727 . 0 0 "[ . 1]" 1
583 1 9 TYR HA 1 15 VAL MG1 0.000 . 5.000 4.864 4.555 5.002 0.002 4 0 "[ . 1]" 1
584 1 11 VAL HA 1 11 VAL MG2 0.000 . 3.000 2.420 2.312 2.447 . 0 0 "[ . 1]" 1
585 1 15 VAL MG1 1 61 LYS HA 0.000 . 3.000 2.882 2.473 3.001 0.001 8 0 "[ . 1]" 1
586 1 14 SER HA 1 15 VAL MG2 0.000 . 4.000 3.589 3.463 3.718 . 0 0 "[ . 1]" 1
587 1 14 SER HA 1 14 SER HB2 0.000 . 3.000 2.509 2.322 2.558 . 0 0 "[ . 1]" 1
588 1 46 PHE HA 1 46 PHE HB2 0.000 . 3.000 2.929 2.512 3.029 0.029 6 0 "[ . 1]" 1
589 1 46 PHE HA 1 46 PHE HB3 0.000 . 3.000 2.560 2.430 3.017 0.017 5 0 "[ . 1]" 1
590 1 55 THR HB 1 56 PHE HA 0.000 . 6.000 5.119 4.927 5.254 . 0 0 "[ . 1]" 1
591 1 39 LEU MD2 1 56 PHE HA 0.000 . 4.000 4.096 3.971 4.951 0.951 7 1 "[ . + 1]" 1
592 1 15 VAL HA 1 16 THR MG 0.000 . 6.000 5.493 5.485 5.508 . 0 0 "[ . 1]" 1
593 1 12 GLY H 1 30 SER HA 0.000 . 4.000 3.754 3.496 3.950 . 0 0 "[ . 1]" 1
594 1 11 VAL HA 1 30 SER HA 0.000 . 5.000 4.241 3.828 4.504 . 0 0 "[ . 1]" 1
595 1 27 ALA MB 1 43 VAL HA 0.000 . 4.000 3.281 2.854 3.847 . 0 0 "[ . 1]" 1
596 1 11 VAL MG1 1 30 SER HA 0.000 . 5.000 2.361 2.060 2.683 . 0 0 "[ . 1]" 1
597 1 16 THR HA 1 27 ALA MB 0.000 . 5.000 3.918 3.612 4.207 . 0 0 "[ . 1]" 1
598 1 43 VAL H 1 50 THR HA 0.000 . 6.000 4.922 4.872 4.974 . 0 0 "[ . 1]" 1
599 1 30 SER HA 1 41 VAL QG 0.000 . 6.000 5.564 5.248 5.709 . 0 0 "[ . 1]" 1
600 1 30 SER HA 1 40 LYS QB 0.000 . 6.000 5.364 4.937 5.610 . 0 0 "[ . 1]" 1
601 1 50 THR HA 1 51 PRO HB2 0.000 . 6.000 5.481 5.477 5.484 . 0 0 "[ . 1]" 1
602 1 50 THR HA 1 51 PRO HG3 0.000 . 5.000 4.368 4.358 4.389 . 0 0 "[ . 1]" 1
603 1 44 SER HA 1 45 ILE HA 0.000 . 5.000 4.462 4.456 4.471 . 0 0 "[ . 1]" 1
604 1 45 ILE HA 1 45 ILE MG 0.000 . 3.000 2.258 2.159 2.404 . 0 0 "[ . 1]" 1
605 1 38 LYS HG2 1 55 THR HA 0.000 . 5.000 3.668 2.854 4.053 . 0 0 "[ . 1]" 1
606 1 49 GLU HA 1 50 THR HA 0.000 . 6.000 4.461 4.458 4.467 . 0 0 "[ . 1]" 1
607 1 38 LYS QE 1 38 LYS HG3 0.000 . 3.000 2.440 2.125 3.002 0.002 8 0 "[ . 1]" 1
608 1 38 LYS QE 1 38 LYS HG2 0.000 . 3.000 2.506 2.348 2.773 . 0 0 "[ . 1]" 1
609 1 38 LYS HB3 1 38 LYS HG3 0.000 . 3.000 3.016 2.996 3.028 0.028 7 0 "[ . 1]" 1
610 1 38 LYS HB3 1 38 LYS HG2 0.000 . 3.000 2.577 2.508 2.653 . 0 0 "[ . 1]" 1
611 1 11 VAL H 1 11 VAL HB 0.000 . 3.000 2.540 2.515 2.579 . 0 0 "[ . 1]" 1
612 1 21 PRO HA 1 23 ALA H 0.000 . 5.000 3.624 3.557 3.724 . 0 0 "[ . 1]" 1
613 1 21 PRO HD2 1 22 PHE HA 0.000 . 6.000 5.432 5.378 5.470 . 0 0 "[ . 1]" 1
614 1 17 VAL MG1 1 22 PHE HA 0.000 . 5.000 4.080 3.838 4.260 . 0 0 "[ . 1]" 1
615 1 18 MET ME 1 60 SER HA 0.000 . 5.000 4.293 3.197 4.936 . 0 0 "[ . 1]" 1
616 1 10 GLU H 1 29 ILE MD 0.000 . 3.000 2.810 2.604 3.003 0.003 7 0 "[ . 1]" 1
617 1 32 VAL MG1 1 34 ALA HA 0.000 . 5.000 4.740 4.573 5.001 0.001 7 0 "[ . 1]" 1
618 1 35 GLU H 1 35 GLU HG2 0.000 . 4.000 3.240 2.154 3.419 . 0 0 "[ . 1]" 1
619 1 35 GLU HB3 1 36 GLN HA 0.000 . 5.000 4.453 4.361 4.506 . 0 0 "[ . 1]" 1
620 1 35 GLU HB2 1 36 GLN HA 0.000 . 5.000 4.659 4.573 4.742 . 0 0 "[ . 1]" 1
621 1 17 VAL HA 1 59 VAL HB 0.000 . 5.000 4.171 3.754 4.432 . 0 0 "[ . 1]" 1
622 1 22 PHE QD 1 25 LEU MD1 0.000 . 3.000 2.109 1.994 2.253 . 0 0 "[ . 1]" 1
623 1 17 VAL MG2 1 22 PHE QD 0.000 . 4.000 3.943 3.641 4.006 0.006 7 0 "[ . 1]" 1
624 1 22 PHE QD 1 43 VAL MG2 0.000 . 4.000 2.988 2.600 3.867 . 0 0 "[ . 1]" 1
625 1 22 PHE QD 1 52 VAL QG 0.000 . 4.000 2.927 2.503 3.536 . 0 0 "[ . 1]" 1
626 1 22 PHE QD 1 45 ILE MD 0.000 . 5.000 4.020 3.409 4.427 . 0 0 "[ . 1]" 1
627 1 22 PHE QE 1 45 ILE MD 0.000 . 4.000 2.743 2.200 3.801 . 0 0 "[ . 1]" 1
628 1 22 PHE QD 1 43 VAL MG1 0.000 . 4.000 3.933 3.830 4.003 0.003 10 0 "[ . 1]" 1
629 1 22 PHE HZ 1 50 THR MG 0.000 . 4.000 3.544 2.843 4.001 0.001 4 0 "[ . 1]" 1
630 1 22 PHE HZ 1 43 VAL MG1 0.000 . 5.000 3.767 3.579 4.001 . 0 0 "[ . 1]" 1
631 1 22 PHE HZ 1 43 VAL MG2 0.000 . 5.000 4.805 4.370 5.002 0.002 9 0 "[ . 1]" 1
632 1 22 PHE QE 1 50 THR MG 0.000 . 4.000 3.884 3.554 4.005 0.005 5 0 "[ . 1]" 1
633 1 22 PHE QE 1 43 VAL MG1 0.000 . 6.000 3.314 3.163 3.484 . 0 0 "[ . 1]" 1
634 1 22 PHE QE 1 52 VAL QG 0.000 . 6.000 2.963 2.196 3.995 . 0 0 "[ . 1]" 1
635 1 8 ASP HA 1 9 TYR QD 0.000 . 5.000 3.718 3.249 4.687 . 0 0 "[ . 1]" 1
636 1 9 TYR QD 1 59 VAL QG 0.000 . 5.000 3.286 3.027 3.527 . 0 0 "[ . 1]" 1
637 1 9 TYR QD 1 39 LEU MD2 0.000 . 5.000 3.737 3.291 4.204 . 0 0 "[ . 1]" 1
638 1 9 TYR QE 1 56 PHE HB3 0.000 . 4.000 2.893 2.464 3.224 . 0 0 "[ . 1]" 1
639 1 9 TYR QE 1 56 PHE HB2 0.000 . 5.000 4.512 4.017 4.893 . 0 0 "[ . 1]" 1
640 1 9 TYR QE 1 56 PHE QD 0.000 . 3.000 2.229 1.910 2.898 . 0 0 "[ . 1]" 1
641 1 8 ASP HA 1 9 TYR QE 0.000 . 5.000 4.524 4.234 5.003 0.003 10 0 "[ . 1]" 1
642 1 9 TYR QE 1 56 PHE HA 0.000 . 5.000 3.265 1.889 4.128 . 0 0 "[ . 1]" 1
643 1 9 TYR QE 1 61 LYS HE3 0.000 . 5.000 2.612 1.994 3.530 . 0 0 "[ . 1]" 1
644 1 9 TYR QE 1 61 LYS HE2 0.000 . 4.000 3.271 2.209 3.954 . 0 0 "[ . 1]" 1
645 1 9 TYR QE 1 61 LYS HD3 0.000 . 6.000 4.601 4.004 5.399 . 0 0 "[ . 1]" 1
646 1 9 TYR QE 1 15 VAL MG1 0.000 . 4.000 3.439 2.997 3.997 . 0 0 "[ . 1]" 1
647 1 9 TYR QE 1 29 ILE MD 0.000 . 5.000 4.294 4.021 4.418 . 0 0 "[ . 1]" 1
648 1 9 TYR QE 1 59 VAL QG 0.000 . 3.000 2.636 2.244 2.853 . 0 0 "[ . 1]" 1
649 1 39 LEU MD2 1 56 PHE QD 0.000 . 5.000 4.480 3.994 4.804 . 0 0 "[ . 1]" 1
650 1 39 LEU MD1 1 56 PHE QD 0.000 . 5.000 3.454 2.171 3.929 . 0 0 "[ . 1]" 1
651 1 32 VAL HA 1 56 PHE QE 0.000 . 5.000 4.883 3.796 5.015 0.015 7 0 "[ . 1]" 1
652 1 32 VAL MG2 1 56 PHE QE 0.000 . 4.000 2.469 2.054 2.760 . 0 0 "[ . 1]" 1
653 1 8 ASP HA 1 56 PHE QE 0.000 . 6.000 4.401 3.117 5.747 . 0 0 "[ . 1]" 1
654 1 39 LEU MD1 1 56 PHE QE 0.000 . 3.000 2.578 2.132 3.007 0.007 9 0 "[ . 1]" 1
655 1 32 VAL MG2 1 56 PHE HZ 0.000 . 3.000 1.979 1.852 2.321 . 0 0 "[ . 1]" 1
656 1 34 ALA MB 1 56 PHE HZ 0.000 . 4.000 3.268 2.925 3.595 . 0 0 "[ . 1]" 1
657 1 10 GLU HB3 1 11 VAL H 0.000 . 3.000 2.636 2.291 2.907 . 0 0 "[ . 1]" 1
658 1 11 VAL H 1 29 ILE MG 0.000 . 4.000 3.990 3.937 4.005 0.005 10 0 "[ . 1]" 1
659 1 13 GLU H 1 29 ILE MD 0.000 . 4.000 3.728 3.373 4.002 0.002 7 0 "[ . 1]" 1
660 1 48 ARG H 1 49 GLU H 0.000 . 4.000 3.746 1.864 3.999 . 0 0 "[ . 1]" 1
661 1 16 THR HB 1 61 LYS H 0.000 . 6.000 5.902 5.710 6.000 0.000 1 0 "[ . 1]" 1
662 1 61 LYS HB2 1 62 ILE H 0.000 . 4.000 3.938 3.876 4.002 0.002 2 0 "[ . 1]" 1
663 1 3 PRO HB2 1 5 VAL H 0.000 . 6.000 5.293 2.724 5.992 . 0 0 "[ . 1]" 1
664 1 37 GLN H 1 38 LYS HG3 0.000 . 6.000 4.515 4.343 4.781 . 0 0 "[ . 1]" 1
665 1 38 LYS HA 1 56 PHE QD 0.000 . 4.000 3.699 3.425 3.875 . 0 0 "[ . 1]" 1
666 1 38 LYS HG2 1 56 PHE QD 0.000 . 6.000 5.327 5.110 5.655 . 0 0 "[ . 1]" 1
667 1 26 PRO HA 1 62 ILE MD 0.000 . 6.000 4.308 3.379 5.762 . 0 0 "[ . 1]" 1
668 1 27 ALA HA 1 41 VAL HB 0.000 . 6.000 4.782 4.367 6.015 0.015 10 0 "[ . 1]" 1
669 1 13 GLU QB 1 29 ILE MG 0.000 . 5.000 4.358 4.118 4.747 . 0 0 "[ . 1]" 1
670 1 9 TYR QD 1 29 ILE MD 0.000 . 3.000 2.659 2.316 2.989 . 0 0 "[ . 1]" 1
671 1 48 ARG HA 1 49 GLU HB2 0.000 . 5.000 4.713 4.528 5.011 0.011 1 0 "[ . 1]" 1
672 1 48 ARG HB3 1 50 THR H 0.000 . 6.000 5.259 5.081 5.602 . 0 0 "[ . 1]" 1
673 1 30 SER HB3 1 42 LEU HG 0.000 . 6.000 5.675 2.739 6.958 0.958 7 4 "[ - *. + *]" 1
674 1 30 SER HB3 1 42 LEU QD 0.000 . 5.000 4.002 2.308 4.962 . 0 0 "[ . 1]" 1
675 1 31 GLU HG3 1 32 VAL H 0.000 . 5.000 4.414 2.950 5.002 0.002 10 0 "[ . 1]" 1
676 1 31 GLU HG2 1 32 VAL H 0.000 . 5.000 3.703 2.254 4.949 . 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 26
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 1.687
_Distance_constraint_stats_list.Viol_max 0.022
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0094
_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 13 GLU 0.001 0.001 10 0 "[ . 1]"
1 15 VAL 0.000 0.000 . 0 "[ . 1]"
1 16 THR 0.008 0.006 8 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 THR 0.000 0.000 . 0 "[ . 1]"
1 29 ILE 0.001 0.001 10 0 "[ . 1]"
1 39 LEU 0.000 0.000 . 0 "[ . 1]"
1 41 VAL 0.000 0.000 . 0 "[ . 1]"
1 42 LEU 0.000 0.000 . 0 "[ . 1]"
1 43 VAL 0.161 0.022 3 0 "[ . 1]"
1 50 THR 0.161 0.022 3 0 "[ . 1]"
1 52 VAL 0.000 0.000 . 0 "[ . 1]"
1 54 LEU 0.000 0.000 . 0 "[ . 1]"
1 60 SER 0.008 0.006 8 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 16 THR O 1 60 SER H 0.000 . 2.300 2.168 1.990 2.306 0.006 8 0 "[ . 1]" 2
2 1 16 THR O 1 60 SER N 0.000 . 3.300 3.089 2.915 3.244 . 0 0 "[ . 1]" 2
3 1 16 THR H 1 60 SER O 0.000 . 2.300 2.002 1.904 2.237 . 0 0 "[ . 1]" 2
4 1 16 THR N 1 60 SER O 0.000 . 3.300 2.951 2.846 3.122 . 0 0 "[ . 1]" 2
5 1 15 VAL H 1 27 ALA O 0.000 . 2.300 1.809 1.633 1.998 . 0 0 "[ . 1]" 2
6 1 15 VAL N 1 27 ALA O 0.000 . 3.300 2.760 2.610 2.935 . 0 0 "[ . 1]" 2
7 1 15 VAL O 1 27 ALA H 0.000 . 2.300 1.952 1.759 2.130 . 0 0 "[ . 1]" 2
8 1 15 VAL O 1 27 ALA N 0.000 . 3.300 2.786 2.566 2.986 . 0 0 "[ . 1]" 2
9 1 13 GLU O 1 29 ILE H 0.000 . 2.300 2.112 1.850 2.301 0.001 10 0 "[ . 1]" 2
10 1 13 GLU O 1 29 ILE N 0.000 . 3.300 3.031 2.778 3.210 . 0 0 "[ . 1]" 2
11 1 28 THR H 1 42 LEU O 0.000 . 2.300 2.103 1.982 2.245 . 0 0 "[ . 1]" 2
12 1 28 THR N 1 42 LEU O 0.000 . 3.300 3.066 2.926 3.213 . 0 0 "[ . 1]" 2
13 1 28 THR O 1 42 LEU H 0.000 . 2.300 1.781 1.587 2.024 . 0 0 "[ . 1]" 2
14 1 28 THR O 1 42 LEU N 0.000 . 3.300 2.716 2.492 2.991 . 0 0 "[ . 1]" 2
15 1 43 VAL H 1 50 THR O 0.000 . 2.300 2.290 2.212 2.320 0.020 9 0 "[ . 1]" 2
16 1 43 VAL N 1 50 THR O 0.000 . 3.300 3.192 3.112 3.232 . 0 0 "[ . 1]" 2
17 1 43 VAL O 1 50 THR H 0.000 . 2.300 2.299 2.256 2.322 0.022 3 0 "[ . 1]" 2
18 1 43 VAL O 1 50 THR N 0.000 . 3.300 3.144 3.086 3.206 . 0 0 "[ . 1]" 2
19 1 41 VAL O 1 52 VAL H 0.000 . 2.300 1.874 1.719 2.104 . 0 0 "[ . 1]" 2
20 1 41 VAL O 1 52 VAL N 0.000 . 3.300 2.818 2.673 3.028 . 0 0 "[ . 1]" 2
21 1 41 VAL H 1 52 VAL O 0.000 . 2.300 1.894 1.740 2.010 . 0 0 "[ . 1]" 2
22 1 41 VAL N 1 52 VAL O 0.000 . 3.300 2.856 2.707 2.974 . 0 0 "[ . 1]" 2
23 1 39 LEU H 1 54 LEU O 0.000 . 2.300 1.762 1.533 1.986 . 0 0 "[ . 1]" 2
24 1 39 LEU N 1 54 LEU O 0.000 . 3.300 2.584 2.496 2.754 . 0 0 "[ . 1]" 2
25 1 39 LEU O 1 54 LEU H 0.000 . 2.300 1.713 1.568 1.785 . 0 0 "[ . 1]" 2
26 1 39 LEU O 1 54 LEU N 0.000 . 3.300 2.615 2.503 2.679 . 0 0 "[ . 1]" 2
stop_
save_
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