NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589120 |
2mxd   |
25404 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mxd
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 888
_Distance_constraint_stats_list.Viol_count 989
_Distance_constraint_stats_list.Viol_total 2220.344
_Distance_constraint_stats_list.Viol_max 0.973
_Distance_constraint_stats_list.Viol_rms 0.0377
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.1123
_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 ALA 0.059 0.059 5 0 "[ . 1 . 2]"
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.059 0.059 5 0 "[ . 1 . 2]"
1 5 ILE 0.776 0.263 8 0 "[ . 1 . 2]"
1 6 ALA 1.408 0.237 18 0 "[ . 1 . 2]"
1 7 LEU 13.539 0.973 2 7 "[ +*-* * 1 * . * 2]"
1 8 ARG 1.493 0.257 15 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 1.946 0.202 11 0 "[ . 1 . 2]"
1 11 GLU 4.710 0.257 15 0 "[ . 1 . 2]"
1 12 TYR 10.042 0.973 2 7 "[ +*-* * 1 * . * 2]"
1 13 ASP 1.974 0.146 9 0 "[ . 1 . 2]"
1 14 GLU 0.385 0.082 16 0 "[ . 1 . 2]"
1 15 TRP 9.186 0.190 11 0 "[ . 1 . 2]"
1 16 GLN 5.760 0.275 10 0 "[ . 1 . 2]"
1 17 ASP 2.269 0.165 7 0 "[ . 1 . 2]"
1 18 ILE 4.617 0.275 10 0 "[ . 1 . 2]"
1 19 ILE 4.561 0.165 7 0 "[ . 1 . 2]"
1 20 ARG 6.092 0.697 1 6 "[+ . * *1 - .* *]"
1 21 ASP 0.715 0.132 6 0 "[ . 1 . 2]"
1 22 TRP 2.161 0.165 14 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.468 0.168 1 0 "[ . 1 . 2]"
1 25 GLU 0.426 0.132 4 0 "[ . 1 . 2]"
1 26 MET 1.652 0.168 1 0 "[ . 1 . 2]"
1 27 THR 1.584 0.092 17 0 "[ . 1 . 2]"
1 28 VAL 6.446 0.190 11 0 "[ . 1 . 2]"
1 29 GLN 3.910 0.202 15 0 "[ . 1 . 2]"
1 30 GLN 5.588 0.287 2 0 "[ . 1 . 2]"
1 31 PHE 2.888 0.323 16 0 "[ . 1 . 2]"
1 32 LEU 6.410 0.442 3 0 "[ . 1 . 2]"
1 33 ASP 0.409 0.087 11 0 "[ . 1 . 2]"
1 34 LEU 3.891 0.268 17 0 "[ . 1 . 2]"
1 35 LYS 17.211 0.442 3 0 "[ . 1 . 2]"
1 36 GLU 0.264 0.067 15 0 "[ . 1 . 2]"
1 37 ARG 0.018 0.018 1 0 "[ . 1 . 2]"
1 38 ALA 0.108 0.071 6 0 "[ . 1 . 2]"
1 39 LEU 5.334 0.313 4 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.018 0.018 1 0 "[ . 1 . 2]"
1 43 SER 2.357 0.264 5 0 "[ . 1 . 2]"
1 44 ASP 1.068 0.084 4 0 "[ . 1 . 2]"
1 45 PRO 1.583 0.084 16 0 "[ . 1 . 2]"
1 46 ASP 1.441 0.084 16 0 "[ . 1 . 2]"
1 47 SER 3.326 0.240 11 0 "[ . 1 . 2]"
1 48 GLN 5.580 0.264 5 0 "[ . 1 . 2]"
1 49 ARG 0.684 0.078 10 0 "[ . 1 . 2]"
1 50 TYR 0.723 0.285 14 0 "[ . 1 . 2]"
1 51 ASN 0.636 0.188 12 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 TRP 4.039 0.286 3 0 "[ . 1 . 2]"
1 54 LEU 0.746 0.285 14 0 "[ . 1 . 2]"
1 55 GLU 0.181 0.069 11 0 "[ . 1 . 2]"
1 56 LEU 5.489 0.286 3 0 "[ . 1 . 2]"
1 57 ARG 19.798 0.390 10 0 "[ . 1 . 2]"
1 58 ALA 10.313 0.300 1 0 "[ . 1 . 2]"
1 59 LYS 11.067 0.367 12 0 "[ . 1 . 2]"
1 60 ARG 3.549 0.390 10 0 "[ . 1 . 2]"
1 61 LEU 0.692 0.219 11 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
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 2 ALA HA 1 4 ALA H 4.890 . 4.890 3.920 2.849 4.949 0.059 5 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 4 ALA H 5.500 . 5.500 3.218 2.363 4.496 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET HA 1 3 MET ME 5.500 . 5.500 3.877 3.007 4.496 . 0 0 "[ . 1 . 2]" 1
4 1 5 ILE HA 1 5 ILE QG 3.510 . 3.510 3.224 2.529 3.442 . 0 0 "[ . 1 . 2]" 1
5 1 5 ILE HA 1 6 ALA MB 4.510 . 4.510 3.957 3.798 4.208 . 0 0 "[ . 1 . 2]" 1
6 1 5 ILE HA 1 6 ALA H 3.560 . 3.560 2.697 2.155 3.567 0.007 5 0 "[ . 1 . 2]" 1
7 1 5 ILE HA 1 7 LEU H 4.220 . 4.220 3.904 3.564 4.249 0.029 2 0 "[ . 1 . 2]" 1
8 1 5 ILE HB 1 6 ALA H 4.440 . 4.440 3.210 1.764 4.319 . 0 0 "[ . 1 . 2]" 1
9 1 5 ILE HB 1 7 LEU H 3.810 . 3.810 2.770 2.401 3.430 . 0 0 "[ . 1 . 2]" 1
10 1 5 ILE QG 1 7 LEU H 4.260 . 4.260 3.490 2.237 4.523 0.263 8 0 "[ . 1 . 2]" 1
11 1 5 ILE MG 1 7 LEU H 5.500 . 5.500 3.882 1.756 4.833 . 0 0 "[ . 1 . 2]" 1
12 1 5 ILE H 1 5 ILE HB 3.870 . 3.870 3.500 2.628 3.928 0.058 20 0 "[ . 1 . 2]" 1
13 1 5 ILE H 1 5 ILE QG 4.390 . 4.390 2.188 1.817 3.205 . 0 0 "[ . 1 . 2]" 1
14 1 6 ALA HA 1 7 LEU HB2 5.500 . 5.500 4.955 3.825 5.667 0.167 18 0 "[ . 1 . 2]" 1
15 1 6 ALA HA 1 7 LEU QD 5.500 . 5.500 3.957 3.258 4.441 . 0 0 "[ . 1 . 2]" 1
16 1 6 ALA HA 1 7 LEU H 3.280 . 3.280 3.172 2.769 3.517 0.237 18 0 "[ . 1 . 2]" 1
17 1 6 ALA MB 1 7 LEU H 5.020 . 5.020 3.300 2.389 3.708 . 0 0 "[ . 1 . 2]" 1
18 1 6 ALA H 1 6 ALA MB 3.610 . 3.610 2.607 2.166 2.965 . 0 0 "[ . 1 . 2]" 1
19 1 7 LEU HA 1 7 LEU HB3 2.810 . 2.810 2.682 2.598 2.756 . 0 0 "[ . 1 . 2]" 1
20 1 7 LEU HA 1 8 ARG QG 4.500 . 4.500 3.651 3.291 4.240 . 0 0 "[ . 1 . 2]" 1
21 1 7 LEU HA 1 8 ARG H 3.060 . 3.060 2.253 2.126 2.465 . 0 0 "[ . 1 . 2]" 1
22 1 7 LEU HA 1 11 GLU QB 4.210 . 4.210 3.212 2.580 3.938 . 0 0 "[ . 1 . 2]" 1
23 1 7 LEU HA 1 12 TYR QB 5.500 . 5.500 5.430 5.068 5.592 0.092 5 0 "[ . 1 . 2]" 1
24 1 7 LEU HB3 1 8 ARG HA 5.260 . 5.260 4.698 4.484 4.896 . 0 0 "[ . 1 . 2]" 1
25 1 7 LEU HB3 1 8 ARG H 3.410 . 3.410 2.919 2.412 3.345 . 0 0 "[ . 1 . 2]" 1
26 1 7 LEU HB3 1 11 GLU QG 4.430 . 4.430 4.163 3.916 4.475 0.045 18 0 "[ . 1 . 2]" 1
27 1 7 LEU QB 1 12 TYR HA . . 4.580 3.118 2.860 3.323 . 0 0 "[ . 1 . 2]" 1
28 1 7 LEU QB 1 12 TYR QB 5.500 . 5.500 3.116 2.784 3.286 . 0 0 "[ . 1 . 2]" 1
29 1 7 LEU HB3 1 28 VAL MG1 5.500 . 5.500 4.705 4.388 5.020 . 0 0 "[ . 1 . 2]" 1
30 1 7 LEU HB2 1 7 LEU QD 3.130 . 3.130 2.081 2.047 2.124 . 0 0 "[ . 1 . 2]" 1
31 1 7 LEU HB2 1 8 ARG HA 5.500 . 5.500 5.481 5.350 5.604 0.104 4 0 "[ . 1 . 2]" 1
32 1 7 LEU QB 1 12 TYR HD1 5.500 . 5.500 4.519 3.212 6.389 0.889 5 6 "[ ** + - 1 * . * 2]" 1
33 1 7 LEU HB2 1 28 VAL MG1 5.500 . 5.500 3.839 3.348 4.248 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU HB2 1 28 VAL MG2 5.000 . 5.000 4.019 3.659 4.264 . 0 0 "[ . 1 . 2]" 1
35 1 7 LEU QD 1 11 GLU QB 5.000 . 5.000 2.665 2.354 3.015 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU QD 1 11 GLU QG . . 5.340 4.122 3.886 4.361 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU QD 1 12 TYR HA . . 4.500 2.927 2.627 3.341 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU QD 1 28 VAL HB . . 5.000 3.782 3.694 4.081 . 0 0 "[ . 1 . 2]" 1
39 1 7 LEU QD 1 31 PHE HD2 5.000 . 5.000 2.941 2.571 3.361 . 0 0 "[ . 1 . 2]" 1
40 1 7 LEU QD 1 12 TYR QB 5.500 . 5.500 3.965 3.741 4.190 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU QD 1 12 TYR H . . 5.500 4.053 3.759 4.225 . 0 0 "[ . 1 . 2]" 1
42 1 7 LEU QD 1 15 TRP QB 5.000 . 5.000 2.569 2.366 2.851 . 0 0 "[ . 1 . 2]" 1
43 1 7 LEU QD 1 8 ARG H 5.500 . 5.500 3.841 3.576 4.084 . 0 0 "[ . 1 . 2]" 1
44 1 7 LEU QD 1 12 TYR HD1 5.500 . 5.500 4.696 3.521 6.473 0.973 2 6 "[ + -* * 1 * . * 2]" 1
45 1 7 LEU QD 1 15 TRP HB3 5.000 . 5.000 3.210 2.926 3.534 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU QD 1 15 TRP HE3 4.120 . 4.120 3.865 3.378 4.097 . 0 0 "[ . 1 . 2]" 1
47 1 7 LEU QD 1 15 TRP HZ3 5.500 . 5.500 5.136 4.669 5.360 . 0 0 "[ . 1 . 2]" 1
48 1 7 LEU QD 1 15 TRP HA 5.500 . 5.500 4.571 4.270 4.866 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU QD 1 15 TRP HD1 5.460 . 5.460 4.499 4.073 4.838 . 0 0 "[ . 1 . 2]" 1
50 1 7 LEU QD 1 28 VAL HA 5.000 . 5.000 3.711 3.410 3.911 . 0 0 "[ . 1 . 2]" 1
51 1 7 LEU QD 1 28 VAL MG2 3.400 . 3.400 2.332 2.063 2.546 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU QD 1 31 PHE HB3 5.440 . 5.440 4.050 3.594 4.366 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU HG 1 28 VAL MG1 4.500 . 4.500 3.893 3.738 4.229 . 0 0 "[ . 1 . 2]" 1
54 1 7 LEU HG 1 28 VAL MG2 5.000 . 5.000 4.939 4.677 5.172 0.172 17 0 "[ . 1 . 2]" 1
55 1 7 LEU H 1 7 LEU HB2 3.140 . 3.140 2.514 2.138 3.259 0.119 19 0 "[ . 1 . 2]" 1
56 1 7 LEU H 1 7 LEU QD 4.340 . 4.340 2.257 2.094 2.392 . 0 0 "[ . 1 . 2]" 1
57 1 8 ARG HA 1 8 ARG QD 4.380 . 4.380 3.794 2.211 4.176 . 0 0 "[ . 1 . 2]" 1
58 1 8 ARG HA 1 8 ARG QG 3.620 . 3.620 2.413 2.296 3.166 . 0 0 "[ . 1 . 2]" 1
59 1 8 ARG HA 1 9 ASP H 3.140 . 3.140 2.495 2.414 2.550 . 0 0 "[ . 1 . 2]" 1
60 1 8 ARG HA 1 12 TYR QB 5.000 . 5.000 4.861 4.711 5.057 0.057 6 0 "[ . 1 . 2]" 1
61 1 8 ARG HB3 1 8 ARG QD 3.430 . 3.430 2.538 2.367 3.457 0.027 2 0 "[ . 1 . 2]" 1
62 1 8 ARG HB3 1 9 ASP H 3.610 . 3.610 2.299 2.205 2.584 . 0 0 "[ . 1 . 2]" 1
63 1 8 ARG HB3 1 10 ASP QB 5.340 . 5.340 3.892 3.521 4.699 . 0 0 "[ . 1 . 2]" 1
64 1 8 ARG HB3 1 10 ASP H 4.280 . 4.280 2.955 2.742 3.360 . 0 0 "[ . 1 . 2]" 1
65 1 8 ARG HB3 1 11 GLU QG 4.210 . 4.210 3.765 3.594 3.977 . 0 0 "[ . 1 . 2]" 1
66 1 8 ARG HB3 1 11 GLU H 4.930 . 4.930 3.528 3.286 4.036 . 0 0 "[ . 1 . 2]" 1
67 1 8 ARG HB2 1 8 ARG QD 3.350 . 3.350 2.622 2.361 3.519 0.169 3 0 "[ . 1 . 2]" 1
68 1 8 ARG HB2 1 9 ASP H 4.140 . 4.140 3.492 3.080 3.640 . 0 0 "[ . 1 . 2]" 1
69 1 8 ARG HB2 1 10 ASP QB 4.880 . 4.880 3.577 2.974 4.733 . 0 0 "[ . 1 . 2]" 1
70 1 8 ARG HB2 1 10 ASP H 4.790 . 4.790 3.318 2.699 3.574 . 0 0 "[ . 1 . 2]" 1
71 1 8 ARG HB2 1 11 GLU QG 3.390 . 3.390 2.279 2.204 2.454 . 0 0 "[ . 1 . 2]" 1
72 1 8 ARG HB2 1 11 GLU H 3.250 . 3.250 2.502 2.172 2.751 . 0 0 "[ . 1 . 2]" 1
73 1 8 ARG QD 1 11 GLU QG 3.810 . 3.810 3.357 2.340 4.067 0.257 15 0 "[ . 1 . 2]" 1
74 1 8 ARG QG 1 9 ASP H 4.830 . 4.830 3.804 3.606 4.448 . 0 0 "[ . 1 . 2]" 1
75 1 8 ARG QG 1 11 GLU QB 4.970 . 4.970 3.828 3.086 4.287 . 0 0 "[ . 1 . 2]" 1
76 1 8 ARG QG 1 11 GLU QG 3.510 . 3.510 3.213 2.193 3.674 0.164 2 0 "[ . 1 . 2]" 1
77 1 8 ARG H 1 8 ARG HB3 4.010 . 4.010 3.598 3.565 3.648 . 0 0 "[ . 1 . 2]" 1
78 1 8 ARG H 1 8 ARG HB2 3.590 . 3.590 2.437 2.331 2.760 . 0 0 "[ . 1 . 2]" 1
79 1 8 ARG H 1 8 ARG QG 3.160 . 3.160 2.352 1.837 2.976 . 0 0 "[ . 1 . 2]" 1
80 1 8 ARG H 1 11 GLU QB 3.820 . 3.820 2.029 1.791 2.245 . 0 0 "[ . 1 . 2]" 1
81 1 8 ARG H 1 11 GLU QG 3.410 . 3.410 2.601 2.224 3.044 . 0 0 "[ . 1 . 2]" 1
82 1 8 ARG H 1 11 GLU H 4.510 . 4.510 3.621 3.277 3.922 . 0 0 "[ . 1 . 2]" 1
83 1 9 ASP HA 1 12 TYR HB3 3.450 . 3.450 2.770 2.455 2.938 . 0 0 "[ . 1 . 2]" 1
84 1 9 ASP HB3 1 10 ASP H 4.210 . 4.210 3.398 2.459 4.013 . 0 0 "[ . 1 . 2]" 1
85 1 9 ASP HB2 1 10 ASP H 4.210 . 4.210 3.180 2.541 3.872 . 0 0 "[ . 1 . 2]" 1
86 1 9 ASP QB 1 10 ASP H 3.590 . 3.590 2.786 2.429 3.445 . 0 0 "[ . 1 . 2]" 1
87 1 9 ASP H 1 9 ASP QB 3.410 . 3.410 2.364 2.214 2.590 . 0 0 "[ . 1 . 2]" 1
88 1 9 ASP H 1 11 GLU H 5.500 . 5.500 4.104 4.008 4.257 . 0 0 "[ . 1 . 2]" 1
89 1 10 ASP HA 1 10 ASP QB 2.520 . 2.520 2.394 2.185 2.487 . 0 0 "[ . 1 . 2]" 1
90 1 10 ASP HA 1 13 ASP H 4.530 . 4.530 3.659 3.508 3.839 . 0 0 "[ . 1 . 2]" 1
91 1 10 ASP QB 1 11 GLU QG 4.380 . 4.380 3.171 2.966 3.978 . 0 0 "[ . 1 . 2]" 1
92 1 10 ASP QB 1 11 GLU H 3.400 . 3.400 2.616 2.445 3.357 . 0 0 "[ . 1 . 2]" 1
93 1 10 ASP H 1 10 ASP QB 3.360 . 3.360 2.321 2.185 2.689 . 0 0 "[ . 1 . 2]" 1
94 1 10 ASP H 1 11 GLU HG3 5.500 . 5.500 5.472 4.254 5.702 0.202 11 0 "[ . 1 . 2]" 1
95 1 10 ASP H 1 11 GLU HG2 5.500 . 5.500 4.359 4.135 5.548 0.048 18 0 "[ . 1 . 2]" 1
96 1 10 ASP H 1 11 GLU H 3.700 . 3.700 2.574 2.460 2.688 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLU HA 1 11 GLU QG 3.340 . 3.340 2.720 2.331 2.806 . 0 0 "[ . 1 . 2]" 1
98 1 11 GLU HA 1 13 ASP H 5.130 . 5.130 4.380 4.267 4.488 . 0 0 "[ . 1 . 2]" 1
99 1 11 GLU HA 1 14 GLU QB 3.470 . 3.470 2.541 2.361 2.720 . 0 0 "[ . 1 . 2]" 1
100 1 11 GLU HA 1 14 GLU HG3 5.500 . 5.500 4.658 3.239 5.505 0.005 14 0 "[ . 1 . 2]" 1
101 1 11 GLU HA 1 14 GLU HG2 5.500 . 5.500 4.744 3.906 5.157 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLU HA 1 14 GLU H 3.480 . 3.480 3.301 3.192 3.380 . 0 0 "[ . 1 . 2]" 1
103 1 11 GLU HB3 1 12 TYR H 4.560 . 4.560 3.648 3.562 3.756 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLU HB3 1 13 ASP H 5.500 . 5.500 5.595 5.531 5.646 0.146 9 0 "[ . 1 . 2]" 1
105 1 11 GLU HB2 1 12 TYR H 4.560 . 4.560 2.638 2.554 2.690 . 0 0 "[ . 1 . 2]" 1
106 1 11 GLU HB2 1 13 ASP H 5.500 . 5.500 5.081 5.021 5.187 . 0 0 "[ . 1 . 2]" 1
107 1 11 GLU QB 1 12 TYR H 3.810 . 3.810 2.580 2.500 2.625 . 0 0 "[ . 1 . 2]" 1
108 1 11 GLU QG 1 12 TYR H 4.230 . 4.230 4.027 3.869 4.091 . 0 0 "[ . 1 . 2]" 1
109 1 11 GLU H 1 11 GLU HB3 3.690 . 3.690 3.568 3.552 3.603 . 0 0 "[ . 1 . 2]" 1
110 1 11 GLU H 1 11 GLU HB2 3.690 . 3.690 2.431 2.380 2.609 . 0 0 "[ . 1 . 2]" 1
111 1 11 GLU H 1 11 GLU QG 2.820 . 2.820 2.151 2.056 2.265 . 0 0 "[ . 1 . 2]" 1
112 1 11 GLU H 1 12 TYR H 3.130 . 3.130 2.613 2.541 2.685 . 0 0 "[ . 1 . 2]" 1
113 1 11 GLU H 1 13 ASP H 4.470 . 4.470 4.203 4.098 4.326 . 0 0 "[ . 1 . 2]" 1
114 1 12 TYR HA 1 12 TYR HD1 5.000 . 5.000 3.255 2.642 4.087 . 0 0 "[ . 1 . 2]" 1
115 1 12 TYR HA 1 15 TRP HB3 4.060 . 4.060 2.792 2.651 3.064 . 0 0 "[ . 1 . 2]" 1
116 1 12 TYR HA 1 15 TRP HB2 4.460 . 4.460 3.834 3.563 4.270 . 0 0 "[ . 1 . 2]" 1
117 1 12 TYR HA 1 15 TRP HE3 3.470 . 3.470 3.286 3.079 3.482 0.012 17 0 "[ . 1 . 2]" 1
118 1 12 TYR HA 1 15 TRP H 5.500 . 5.500 3.449 3.313 3.601 . 0 0 "[ . 1 . 2]" 1
119 1 12 TYR QB 1 13 ASP HA 4.410 . 4.410 4.163 4.076 4.221 . 0 0 "[ . 1 . 2]" 1
120 1 12 TYR QB 1 13 ASP QB 4.570 . 4.570 4.019 3.819 4.388 . 0 0 "[ . 1 . 2]" 1
121 1 12 TYR QB 1 13 ASP H 3.430 . 3.430 2.494 2.449 2.547 . 0 0 "[ . 1 . 2]" 1
122 1 12 TYR QB 1 14 GLU H 5.500 . 5.500 4.648 4.554 4.727 . 0 0 "[ . 1 . 2]" 1
123 1 12 TYR QD 1 13 ASP HA 4.070 . 4.070 3.043 2.826 3.412 . 0 0 "[ . 1 . 2]" 1
124 1 12 TYR QD 1 13 ASP QB 5.150 . 5.150 3.821 3.435 4.392 . 0 0 "[ . 1 . 2]" 1
125 1 12 TYR QD 1 13 ASP H 4.180 . 4.180 3.223 3.030 3.483 . 0 0 "[ . 1 . 2]" 1
126 1 12 TYR QD 1 14 GLU H 5.500 . 5.500 5.222 5.075 5.383 . 0 0 "[ . 1 . 2]" 1
127 1 12 TYR QD 1 15 TRP HB3 5.160 . 5.160 4.419 4.230 4.610 . 0 0 "[ . 1 . 2]" 1
128 1 12 TYR QD 1 15 TRP HE3 3.560 . 3.560 3.241 2.983 3.382 . 0 0 "[ . 1 . 2]" 1
129 1 12 TYR QD 1 15 TRP HZ3 4.220 . 4.220 3.795 3.493 4.128 . 0 0 "[ . 1 . 2]" 1
130 1 12 TYR QD 1 16 GLN HG3 4.560 . 4.560 3.795 3.509 4.088 . 0 0 "[ . 1 . 2]" 1
131 1 12 TYR QD 1 16 GLN HG2 5.070 . 5.070 3.923 3.772 4.022 . 0 0 "[ . 1 . 2]" 1
132 1 12 TYR QE 1 15 TRP HE3 4.220 . 4.220 3.413 3.176 3.641 . 0 0 "[ . 1 . 2]" 1
133 1 12 TYR QE 1 15 TRP HZ3 3.420 . 3.420 2.376 2.319 2.498 . 0 0 "[ . 1 . 2]" 1
134 1 12 TYR QE 1 16 GLN HG3 3.950 . 3.950 2.630 2.368 3.143 . 0 0 "[ . 1 . 2]" 1
135 1 12 TYR QE 1 16 GLN HG2 3.690 . 3.690 3.551 3.305 3.691 0.001 13 0 "[ . 1 . 2]" 1
136 1 12 TYR H 1 12 TYR HB3 3.380 . 3.380 2.489 2.431 2.580 . 0 0 "[ . 1 . 2]" 1
137 1 12 TYR H 1 12 TYR HB2 3.430 . 3.430 2.567 2.490 2.621 . 0 0 "[ . 1 . 2]" 1
138 1 12 TYR H 1 13 ASP QB 5.340 . 5.340 4.474 4.371 4.641 . 0 0 "[ . 1 . 2]" 1
139 1 12 TYR H 1 13 ASP H 3.710 . 3.710 2.695 2.630 2.744 . 0 0 "[ . 1 . 2]" 1
140 1 13 ASP HA 1 16 GLN HB3 5.080 . 5.080 4.540 4.404 4.681 . 0 0 "[ . 1 . 2]" 1
141 1 13 ASP HA 1 16 GLN HB2 3.230 . 3.230 2.871 2.733 2.992 . 0 0 "[ . 1 . 2]" 1
142 1 13 ASP HA 1 16 GLN HG3 4.270 . 4.270 3.979 3.738 4.158 . 0 0 "[ . 1 . 2]" 1
143 1 13 ASP HA 1 16 GLN HG2 4.150 . 4.150 4.070 3.855 4.183 0.033 10 0 "[ . 1 . 2]" 1
144 1 13 ASP HA 1 16 GLN H 4.130 . 4.130 3.554 3.479 3.733 . 0 0 "[ . 1 . 2]" 1
145 1 13 ASP QB 1 14 GLU H 2.980 . 2.980 2.624 2.546 2.705 . 0 0 "[ . 1 . 2]" 1
146 1 13 ASP H 1 13 ASP QB 3.160 . 3.160 2.254 2.179 2.340 . 0 0 "[ . 1 . 2]" 1
147 1 13 ASP H 1 14 GLU HA 5.440 . 5.440 5.248 5.174 5.286 . 0 0 "[ . 1 . 2]" 1
148 1 13 ASP H 1 14 GLU H 3.180 . 3.180 2.622 2.528 2.673 . 0 0 "[ . 1 . 2]" 1
149 1 13 ASP H 1 16 GLN H 5.110 . 5.110 4.857 4.794 4.916 . 0 0 "[ . 1 . 2]" 1
150 1 14 GLU HA 1 14 GLU QG 3.180 . 3.180 2.359 2.288 2.646 . 0 0 "[ . 1 . 2]" 1
151 1 14 GLU HA 1 17 ASP QB 3.450 . 3.450 2.381 2.292 2.585 . 0 0 "[ . 1 . 2]" 1
152 1 14 GLU HA 1 17 ASP H 4.540 . 4.540 3.475 3.297 3.663 . 0 0 "[ . 1 . 2]" 1
153 1 14 GLU HA 1 18 ILE H 5.500 . 5.500 4.094 3.923 4.284 . 0 0 "[ . 1 . 2]" 1
154 1 14 GLU HA 1 53 TRP HH2 5.000 . 5.000 3.095 2.521 3.609 . 0 0 "[ . 1 . 2]" 1
155 1 14 GLU HB3 1 15 TRP H 4.590 . 4.590 2.978 2.532 3.721 . 0 0 "[ . 1 . 2]" 1
156 1 14 GLU HB2 1 15 TRP H 4.590 . 4.590 3.396 2.568 3.892 . 0 0 "[ . 1 . 2]" 1
157 1 14 GLU QB 1 14 GLU QG 2.260 . 2.260 2.089 2.026 2.110 . 0 0 "[ . 1 . 2]" 1
158 1 14 GLU QB 1 15 TRP HA 5.340 . 5.340 4.002 3.859 4.141 . 0 0 "[ . 1 . 2]" 1
159 1 14 GLU QB 1 15 TRP HB2 5.060 . 5.060 4.274 4.127 4.369 . 0 0 "[ . 1 . 2]" 1
160 1 14 GLU QB 1 15 TRP H 3.820 . 3.820 2.594 2.499 2.736 . 0 0 "[ . 1 . 2]" 1
161 1 14 GLU QB 1 53 TRP HH2 5.000 . 5.000 3.813 2.717 4.640 . 0 0 "[ . 1 . 2]" 1
162 1 14 GLU QB 1 53 TRP HZ3 5.000 . 5.000 4.302 3.126 5.031 0.031 19 0 "[ . 1 . 2]" 1
163 1 14 GLU HG3 1 15 TRP H 5.500 . 5.500 4.633 4.143 5.078 . 0 0 "[ . 1 . 2]" 1
164 1 14 GLU HG2 1 15 TRP H 5.500 . 5.500 4.477 3.711 5.233 . 0 0 "[ . 1 . 2]" 1
165 1 14 GLU QG 1 57 ARG HD3 4.920 . 4.920 4.455 3.765 5.002 0.082 16 0 "[ . 1 . 2]" 1
166 1 14 GLU QG 1 57 ARG HD2 5.160 . 5.160 4.390 3.559 5.197 0.037 11 0 "[ . 1 . 2]" 1
167 1 14 GLU QG 1 17 ASP QB 4.960 . 4.960 3.765 3.369 4.242 . 0 0 "[ . 1 . 2]" 1
168 1 14 GLU QG 1 53 TRP HH2 3.500 . 3.500 2.746 2.247 3.504 0.004 1 0 "[ . 1 . 2]" 1
169 1 14 GLU QG 1 53 TRP HZ2 5.150 . 5.150 4.804 4.387 5.224 0.074 1 0 "[ . 1 . 2]" 1
170 1 14 GLU QG 1 53 TRP HZ3 5.000 . 5.000 3.284 2.340 4.606 . 0 0 "[ . 1 . 2]" 1
171 1 14 GLU QG 1 54 LEU MD2 4.520 . 4.520 3.949 3.225 4.576 0.056 5 0 "[ . 1 . 2]" 1
172 1 14 GLU H 1 14 GLU QB 3.040 . 3.040 2.276 2.165 2.376 . 0 0 "[ . 1 . 2]" 1
173 1 14 GLU H 1 14 GLU QG 4.490 . 4.490 3.423 2.235 4.065 . 0 0 "[ . 1 . 2]" 1
174 1 14 GLU H 1 15 TRP HA 5.500 . 5.500 5.263 5.216 5.343 . 0 0 "[ . 1 . 2]" 1
175 1 14 GLU H 1 15 TRP HB2 5.500 . 5.500 5.241 5.145 5.382 . 0 0 "[ . 1 . 2]" 1
176 1 14 GLU H 1 15 TRP H 3.220 . 3.220 2.649 2.591 2.752 . 0 0 "[ . 1 . 2]" 1
177 1 14 GLU H 1 16 GLN HB2 5.500 . 5.500 5.321 5.231 5.457 . 0 0 "[ . 1 . 2]" 1
178 1 15 TRP HA 1 15 TRP HB2 2.930 . 2.930 2.383 2.361 2.399 . 0 0 "[ . 1 . 2]" 1
179 1 15 TRP HA 1 15 TRP HD1 4.350 . 4.350 2.577 2.508 2.653 . 0 0 "[ . 1 . 2]" 1
180 1 15 TRP HA 1 15 TRP HE3 5.420 . 5.420 5.076 5.016 5.122 . 0 0 "[ . 1 . 2]" 1
181 1 15 TRP HA 1 18 ILE HB . . 3.500 3.122 2.700 3.349 . 0 0 "[ . 1 . 2]" 1
182 1 15 TRP HA 1 18 ILE H 5.000 . 5.000 3.396 3.165 3.505 . 0 0 "[ . 1 . 2]" 1
183 1 15 TRP HA 1 19 ILE H 5.500 . 5.500 4.266 4.156 4.380 . 0 0 "[ . 1 . 2]" 1
184 1 15 TRP HA 1 28 VAL HA 5.500 . 5.500 5.468 5.404 5.557 0.057 4 0 "[ . 1 . 2]" 1
185 1 15 TRP HB3 1 15 TRP HE3 3.410 . 3.410 2.409 2.384 2.451 . 0 0 "[ . 1 . 2]" 1
186 1 15 TRP HB3 1 16 GLN HE21 4.610 . 4.610 4.002 3.839 4.187 . 0 0 "[ . 1 . 2]" 1
187 1 15 TRP HB3 1 16 GLN HG2 4.280 . 4.280 3.519 3.411 3.608 . 0 0 "[ . 1 . 2]" 1
188 1 15 TRP HB3 1 16 GLN H 3.350 . 3.350 2.600 2.504 2.690 . 0 0 "[ . 1 . 2]" 1
189 1 15 TRP HB3 1 28 VAL HA 5.130 . 5.130 5.258 5.191 5.320 0.190 11 0 "[ . 1 . 2]" 1
190 1 15 TRP HB2 1 15 TRP HD1 3.470 . 3.470 2.957 2.897 3.019 . 0 0 "[ . 1 . 2]" 1
191 1 15 TRP HB2 1 15 TRP HE3 3.880 . 3.880 3.802 3.734 3.866 . 0 0 "[ . 1 . 2]" 1
192 1 15 TRP HB2 1 16 GLN HE21 5.500 . 5.500 5.325 5.139 5.454 . 0 0 "[ . 1 . 2]" 1
193 1 15 TRP HB2 1 16 GLN H 4.320 . 4.320 3.967 3.903 4.020 . 0 0 "[ . 1 . 2]" 1
194 1 15 TRP HB2 1 28 VAL HA 4.240 . 4.240 4.309 4.212 4.394 0.154 16 0 "[ . 1 . 2]" 1
195 1 15 TRP HB2 1 28 VAL MG2 5.000 . 5.000 3.399 3.245 3.531 . 0 0 "[ . 1 . 2]" 1
196 1 15 TRP HB2 1 31 PHE HB3 4.790 . 4.790 4.306 4.041 4.482 . 0 0 "[ . 1 . 2]" 1
197 1 15 TRP HB2 1 31 PHE HB2 5.500 . 5.500 4.569 4.267 4.860 . 0 0 "[ . 1 . 2]" 1
198 1 15 TRP HD1 1 16 GLN HE21 5.500 . 5.500 5.456 5.193 5.567 0.067 17 0 "[ . 1 . 2]" 1
199 1 15 TRP HD1 1 28 VAL HA 4.180 . 4.180 3.296 3.056 3.528 . 0 0 "[ . 1 . 2]" 1
200 1 15 TRP HD1 1 31 PHE HB2 3.410 . 3.410 2.429 2.313 2.688 . 0 0 "[ . 1 . 2]" 1
201 1 15 TRP HD1 1 31 PHE H 4.860 . 4.860 4.455 4.262 4.795 . 0 0 "[ . 1 . 2]" 1
202 1 15 TRP HE3 1 16 GLN HG3 5.500 . 5.500 4.181 4.046 4.465 . 0 0 "[ . 1 . 2]" 1
203 1 15 TRP HE3 1 16 GLN HG2 4.020 . 4.020 2.675 2.534 2.946 . 0 0 "[ . 1 . 2]" 1
204 1 15 TRP HE3 1 28 VAL MG2 4.470 . 4.470 3.259 3.127 3.457 . 0 0 "[ . 1 . 2]" 1
205 1 15 TRP HH2 1 28 VAL MG2 4.210 . 4.210 3.429 3.225 3.608 . 0 0 "[ . 1 . 2]" 1
206 1 15 TRP H 1 15 TRP HB3 3.350 . 3.350 2.344 2.305 2.375 . 0 0 "[ . 1 . 2]" 1
207 1 15 TRP H 1 15 TRP HB2 3.420 . 3.420 2.718 2.665 2.752 . 0 0 "[ . 1 . 2]" 1
208 1 15 TRP H 1 15 TRP HE3 4.440 . 4.440 4.552 4.511 4.591 0.151 17 0 "[ . 1 . 2]" 1
209 1 15 TRP HZ2 1 27 THR HA 3.890 . 3.890 2.596 2.323 3.161 . 0 0 "[ . 1 . 2]" 1
210 1 15 TRP HZ2 1 27 THR MG 5.500 . 5.500 4.273 3.838 4.790 . 0 0 "[ . 1 . 2]" 1
211 1 15 TRP HZ2 1 28 VAL HB 4.950 . 4.950 5.012 4.960 5.083 0.133 1 0 "[ . 1 . 2]" 1
212 1 15 TRP HZ2 1 28 VAL MG2 3.650 . 3.650 3.042 2.901 3.173 . 0 0 "[ . 1 . 2]" 1
213 1 15 TRP HZ2 1 28 VAL H 4.430 . 4.430 3.338 3.071 3.723 . 0 0 "[ . 1 . 2]" 1
214 1 15 TRP HZ3 1 16 GLN HE22 5.100 . 5.100 3.248 3.038 3.442 . 0 0 "[ . 1 . 2]" 1
215 1 15 TRP HZ3 1 16 GLN HG3 5.500 . 5.500 4.647 4.425 5.052 . 0 0 "[ . 1 . 2]" 1
216 1 15 TRP HZ3 1 16 GLN H 5.500 . 5.500 5.557 5.400 5.597 0.097 1 0 "[ . 1 . 2]" 1
217 1 15 TRP HZ3 1 28 VAL MG2 5.500 . 5.500 3.588 3.381 3.842 . 0 0 "[ . 1 . 2]" 1
218 1 16 GLN HA 1 16 GLN HE21 5.350 . 5.350 2.916 2.595 3.104 . 0 0 "[ . 1 . 2]" 1
219 1 16 GLN HA 1 16 GLN HE22 4.680 . 4.680 3.398 3.249 3.490 . 0 0 "[ . 1 . 2]" 1
220 1 16 GLN HA 1 16 GLN HG3 3.960 . 3.960 3.679 3.664 3.695 . 0 0 "[ . 1 . 2]" 1
221 1 16 GLN HA 1 16 GLN HG2 3.480 . 3.480 2.839 2.795 2.888 . 0 0 "[ . 1 . 2]" 1
222 1 16 GLN HA 1 18 ILE H 4.090 . 4.090 4.300 4.227 4.365 0.275 10 0 "[ . 1 . 2]" 1
223 1 16 GLN HA 1 19 ILE HB 4.090 . 4.090 2.757 2.610 3.122 . 0 0 "[ . 1 . 2]" 1
224 1 16 GLN HA 1 19 ILE MD 5.000 . 5.000 2.382 2.251 2.683 . 0 0 "[ . 1 . 2]" 1
225 1 16 GLN HA 1 19 ILE QG 4.590 . 4.590 3.279 2.853 3.476 . 0 0 "[ . 1 . 2]" 1
226 1 16 GLN HA 1 19 ILE H 4.490 . 4.490 3.437 3.332 3.492 . 0 0 "[ . 1 . 2]" 1
227 1 16 GLN HB3 1 17 ASP H 4.240 . 4.240 3.629 3.584 3.702 . 0 0 "[ . 1 . 2]" 1
228 1 16 GLN HB3 1 19 ILE HB 5.560 . 5.560 4.403 4.258 4.630 . 0 0 "[ . 1 . 2]" 1
229 1 16 GLN HB3 1 19 ILE MD 5.500 . 5.500 4.297 3.960 4.563 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLN HB3 1 19 ILE H 5.500 . 5.500 5.295 5.221 5.364 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLN HB2 1 17 ASP H 3.830 . 3.830 2.699 2.625 2.816 . 0 0 "[ . 1 . 2]" 1
232 1 16 GLN QE 1 19 ILE MD 5.500 . 5.500 2.252 2.006 2.481 . 0 0 "[ . 1 . 2]" 1
233 1 16 GLN H 1 16 GLN HB3 3.780 . 3.780 3.595 3.580 3.612 . 0 0 "[ . 1 . 2]" 1
234 1 16 GLN H 1 16 GLN HB2 3.310 . 3.310 2.420 2.363 2.472 . 0 0 "[ . 1 . 2]" 1
235 1 16 GLN H 1 16 GLN HE21 5.280 . 5.280 3.748 3.514 3.921 . 0 0 "[ . 1 . 2]" 1
236 1 16 GLN H 1 16 GLN HE22 5.500 . 5.500 5.122 4.935 5.251 . 0 0 "[ . 1 . 2]" 1
237 1 16 GLN H 1 16 GLN HG3 3.820 . 3.820 3.606 3.510 3.669 . 0 0 "[ . 1 . 2]" 1
238 1 16 GLN H 1 16 GLN HG2 3.650 . 3.650 2.291 2.122 2.393 . 0 0 "[ . 1 . 2]" 1
239 1 16 GLN H 1 17 ASP QB 5.100 . 5.100 4.479 4.363 4.581 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLN H 1 17 ASP H 3.800 . 3.800 2.617 2.569 2.717 . 0 0 "[ . 1 . 2]" 1
241 1 16 GLN H 1 18 ILE H 4.530 . 4.530 4.141 4.065 4.219 . 0 0 "[ . 1 . 2]" 1
242 1 17 ASP HA 1 17 ASP QB 2.620 . 2.620 2.436 2.404 2.485 . 0 0 "[ . 1 . 2]" 1
243 1 17 ASP HA 1 20 ARG HB3 4.170 . 4.170 2.878 2.662 3.045 . 0 0 "[ . 1 . 2]" 1
244 1 17 ASP HA 1 20 ARG HB2 4.510 . 4.510 3.304 2.992 3.478 . 0 0 "[ . 1 . 2]" 1
245 1 17 ASP HA 1 20 ARG H 4.370 . 4.370 3.369 3.180 3.462 . 0 0 "[ . 1 . 2]" 1
246 1 17 ASP HB3 1 57 ARG HD2 5.500 . 5.500 4.798 4.150 5.235 . 0 0 "[ . 1 . 2]" 1
247 1 17 ASP HB3 1 18 ILE H 4.300 . 4.300 3.458 2.661 3.682 . 0 0 "[ . 1 . 2]" 1
248 1 17 ASP HB3 1 53 TRP HH2 4.290 . 4.290 3.311 2.384 4.282 . 0 0 "[ . 1 . 2]" 1
249 1 17 ASP HB3 1 53 TRP HZ2 3.790 . 3.790 2.429 2.312 2.619 . 0 0 "[ . 1 . 2]" 1
250 1 17 ASP HB2 1 57 ARG HD2 5.500 . 5.500 5.320 4.644 5.614 0.114 5 0 "[ . 1 . 2]" 1
251 1 17 ASP HB2 1 18 ILE H 4.300 . 4.300 2.978 2.724 3.846 . 0 0 "[ . 1 . 2]" 1
252 1 17 ASP HB2 1 53 TRP HH2 4.290 . 4.290 3.250 2.517 4.267 . 0 0 "[ . 1 . 2]" 1
253 1 17 ASP HB2 1 53 TRP HZ2 3.790 . 3.790 3.454 2.657 3.924 0.134 4 0 "[ . 1 . 2]" 1
254 1 17 ASP QB 1 20 ARG HB3 5.340 . 5.340 4.385 4.101 4.858 . 0 0 "[ . 1 . 2]" 1
255 1 17 ASP H 1 17 ASP QB 3.060 . 3.060 2.282 2.203 2.353 . 0 0 "[ . 1 . 2]" 1
256 1 17 ASP H 1 18 ILE HB 4.990 . 4.990 4.714 4.575 4.834 . 0 0 "[ . 1 . 2]" 1
257 1 17 ASP H 1 18 ILE H 3.500 . 3.500 2.670 2.624 2.717 . 0 0 "[ . 1 . 2]" 1
258 1 17 ASP H 1 19 ILE HG13 5.340 . 5.340 5.408 5.048 5.505 0.165 7 0 "[ . 1 . 2]" 1
259 1 18 ILE HA 1 18 ILE HG12 3.610 . 3.610 3.059 2.446 3.600 . 0 0 "[ . 1 . 2]" 1
260 1 18 ILE HA 1 20 ARG HB3 5.500 . 5.500 4.936 4.815 5.183 . 0 0 "[ . 1 . 2]" 1
261 1 18 ILE HA 1 20 ARG H 5.500 . 5.500 4.310 4.254 4.377 . 0 0 "[ . 1 . 2]" 1
262 1 18 ILE HA 1 21 ASP H 4.260 . 4.260 3.171 3.095 3.258 . 0 0 "[ . 1 . 2]" 1
263 1 18 ILE HA 1 22 TRP H 5.500 . 5.500 4.240 4.120 4.399 . 0 0 "[ . 1 . 2]" 1
264 1 18 ILE HB 1 19 ILE H 4.600 . 4.600 3.589 3.475 3.691 . 0 0 "[ . 1 . 2]" 1
265 1 18 ILE HB 1 31 PHE HE1 5.500 . 5.500 4.040 3.082 4.769 . 0 0 "[ . 1 . 2]" 1
266 1 18 ILE HB 1 53 TRP HH2 4.230 . 4.230 3.763 2.932 4.240 0.010 16 0 "[ . 1 . 2]" 1
267 1 18 ILE MD 1 50 TYR QD 4.110 . 4.110 2.494 2.281 3.297 . 0 0 "[ . 1 . 2]" 1
268 1 18 ILE MD 1 53 TRP HE3 4.930 . 4.930 3.301 2.574 4.284 . 0 0 "[ . 1 . 2]" 1
269 1 18 ILE HG12 1 26 MET ME 5.500 . 5.500 3.732 3.178 4.882 . 0 0 "[ . 1 . 2]" 1
270 1 18 ILE MG 1 19 ILE HA 4.490 . 4.490 2.983 2.944 3.026 . 0 0 "[ . 1 . 2]" 1
271 1 18 ILE MG 1 19 ILE HB . . 4.890 3.893 3.811 4.052 . 0 0 "[ . 1 . 2]" 1
272 1 18 ILE MG 1 22 TRP HD1 5.000 . 5.000 2.548 2.294 2.978 . 0 0 "[ . 1 . 2]" 1
273 1 18 ILE MG 1 26 MET ME 4.610 . 4.610 2.096 1.859 2.405 . 0 0 "[ . 1 . 2]" 1
274 1 18 ILE MG 1 26 MET HG3 4.990 . 4.990 3.817 3.175 4.163 . 0 0 "[ . 1 . 2]" 1
275 1 18 ILE MG 1 31 PHE HB2 4.030 . 4.030 3.048 2.565 3.589 . 0 0 "[ . 1 . 2]" 1
276 1 18 ILE MG 1 31 PHE HD1 4.000 . 4.000 2.793 2.289 3.486 . 0 0 "[ . 1 . 2]" 1
277 1 18 ILE MG 1 19 ILE HG12 4.660 . 4.660 3.320 2.930 3.467 . 0 0 "[ . 1 . 2]" 1
278 1 18 ILE MG 1 19 ILE H 3.030 . 3.030 2.076 2.022 2.248 . 0 0 "[ . 1 . 2]" 1
279 1 18 ILE H 1 18 ILE HB 3.330 . 3.330 2.249 2.153 2.327 . 0 0 "[ . 1 . 2]" 1
280 1 18 ILE H 1 18 ILE HG13 4.440 . 4.440 4.287 3.977 4.536 0.096 4 0 "[ . 1 . 2]" 1
281 1 18 ILE H 1 18 ILE MG 3.920 . 3.920 2.788 2.700 2.899 . 0 0 "[ . 1 . 2]" 1
282 1 18 ILE H 1 19 ILE H 3.540 . 3.540 2.518 2.476 2.585 . 0 0 "[ . 1 . 2]" 1
283 1 18 ILE H 1 21 ASP H 5.500 . 5.500 4.640 4.581 4.717 . 0 0 "[ . 1 . 2]" 1
284 1 18 ILE H 1 53 TRP HZ2 4.400 . 4.400 4.140 3.411 4.442 0.042 18 0 "[ . 1 . 2]" 1
285 1 19 ILE HA 1 22 TRP HB2 5.460 . 5.460 3.284 2.914 3.520 . 0 0 "[ . 1 . 2]" 1
286 1 19 ILE HA 1 22 TRP HE1 5.500 . 5.500 4.422 4.276 4.601 . 0 0 "[ . 1 . 2]" 1
287 1 19 ILE HA 1 22 TRP H 5.500 . 5.500 3.401 3.259 3.501 . 0 0 "[ . 1 . 2]" 1
288 1 19 ILE HA 1 24 LYS H 4.780 . 4.780 4.176 3.710 4.412 . 0 0 "[ . 1 . 2]" 1
289 1 19 ILE HA 1 26 MET ME 4.830 . 4.830 3.775 2.675 4.597 . 0 0 "[ . 1 . 2]" 1
290 1 19 ILE HB 1 20 ARG HB3 5.390 . 5.390 5.034 4.880 5.165 . 0 0 "[ . 1 . 2]" 1
291 1 19 ILE HB 1 20 ARG H 3.620 . 3.620 2.548 2.436 2.598 . 0 0 "[ . 1 . 2]" 1
292 1 19 ILE HB 1 25 GLU HA 5.220 . 5.220 4.944 4.600 5.267 0.047 11 0 "[ . 1 . 2]" 1
293 1 19 ILE MD 1 25 GLU HA 4.870 . 4.870 3.550 2.846 3.822 . 0 0 "[ . 1 . 2]" 1
294 1 19 ILE MD 1 26 MET QB 5.500 . 5.500 4.205 2.792 5.116 . 0 0 "[ . 1 . 2]" 1
295 1 19 ILE MD 1 26 MET HG3 5.500 . 5.500 3.304 2.476 3.776 . 0 0 "[ . 1 . 2]" 1
296 1 19 ILE MD 1 26 MET HG2 5.100 . 5.100 4.182 3.580 4.798 . 0 0 "[ . 1 . 2]" 1
297 1 19 ILE MD 1 26 MET H 4.780 . 4.780 2.809 2.223 3.454 . 0 0 "[ . 1 . 2]" 1
298 1 19 ILE MD 1 26 MET QG 5.500 . 5.500 3.178 2.433 3.643 . 0 0 "[ . 1 . 2]" 1
299 1 19 ILE HG13 1 20 ARG H 4.350 . 4.350 4.269 3.987 4.342 . 0 0 "[ . 1 . 2]" 1
300 1 19 ILE HG13 1 22 TRP HD1 5.500 . 5.500 4.318 4.032 4.765 . 0 0 "[ . 1 . 2]" 1
301 1 19 ILE QG 1 26 MET QG 5.500 . 5.500 2.120 1.967 2.300 . 0 0 "[ . 1 . 2]" 1
302 1 19 ILE HG13 1 26 MET H 5.030 . 5.030 4.400 3.649 5.053 0.023 15 0 "[ . 1 . 2]" 1
303 1 19 ILE HG12 1 20 ARG H 4.920 . 4.920 4.951 4.812 5.005 0.085 7 0 "[ . 1 . 2]" 1
304 1 19 ILE HG12 1 22 TRP HD1 5.190 . 5.190 3.926 3.763 4.097 . 0 0 "[ . 1 . 2]" 1
305 1 19 ILE HG12 1 22 TRP HE1 5.500 . 5.500 5.577 5.482 5.665 0.165 14 0 "[ . 1 . 2]" 1
306 1 19 ILE QG 1 25 GLU HA 5.200 . 5.200 3.621 2.933 4.216 . 0 0 "[ . 1 . 2]" 1
307 1 19 ILE HG12 1 26 MET H 5.020 . 5.020 2.784 2.139 3.429 . 0 0 "[ . 1 . 2]" 1
308 1 19 ILE MG 1 22 TRP H 5.500 . 5.500 4.582 4.477 4.711 . 0 0 "[ . 1 . 2]" 1
309 1 19 ILE MG 1 25 GLU HA . . 3.850 2.182 2.051 2.490 . 0 0 "[ . 1 . 2]" 1
310 1 19 ILE MG 1 25 GLU QG 5.340 . 5.340 3.875 3.052 4.676 . 0 0 "[ . 1 . 2]" 1
311 1 19 ILE MG 1 26 MET QB 5.500 . 5.500 4.401 3.680 4.891 . 0 0 "[ . 1 . 2]" 1
312 1 19 ILE MG 1 26 MET H 4.000 . 4.000 2.865 2.364 3.453 . 0 0 "[ . 1 . 2]" 1
313 1 19 ILE MD 1 19 ILE MG 3.420 . 3.420 1.896 1.787 2.093 . 0 0 "[ . 1 . 2]" 1
314 1 19 ILE MG 1 20 ARG H 5.280 . 5.280 3.289 3.197 3.558 . 0 0 "[ . 1 . 2]" 1
315 1 19 ILE MG 1 22 TRP HD1 5.290 . 5.290 4.155 3.955 4.254 . 0 0 "[ . 1 . 2]" 1
316 1 19 ILE MG 1 24 LYS H 5.000 . 5.000 3.481 2.912 3.820 . 0 0 "[ . 1 . 2]" 1
317 1 19 ILE H 1 19 ILE HB 3.270 . 3.270 2.425 2.369 2.611 . 0 0 "[ . 1 . 2]" 1
318 1 19 ILE H 1 19 ILE MD 5.480 . 5.480 3.522 3.446 3.607 . 0 0 "[ . 1 . 2]" 1
319 1 19 ILE H 1 19 ILE HG13 3.250 . 3.250 2.200 1.927 2.290 . 0 0 "[ . 1 . 2]" 1
320 1 19 ILE H 1 19 ILE HG12 3.560 . 3.560 3.501 3.143 3.588 0.028 18 0 "[ . 1 . 2]" 1
321 1 19 ILE H 1 20 ARG HB3 5.080 . 5.080 4.875 4.680 5.046 . 0 0 "[ . 1 . 2]" 1
322 1 19 ILE H 1 20 ARG H 3.380 . 3.380 2.655 2.608 2.711 . 0 0 "[ . 1 . 2]" 1
323 1 19 ILE H 1 22 TRP HE1 5.320 . 5.320 5.012 4.739 5.396 0.076 4 0 "[ . 1 . 2]" 1
324 1 19 ILE H 1 26 MET ME 5.500 . 5.500 4.411 3.507 5.127 . 0 0 "[ . 1 . 2]" 1
325 1 20 ARG HA 1 20 ARG HB2 2.820 . 2.820 2.493 2.431 2.553 . 0 0 "[ . 1 . 2]" 1
326 1 20 ARG HA 1 20 ARG QD 4.600 . 4.600 3.849 2.259 4.185 . 0 0 "[ . 1 . 2]" 1
327 1 20 ARG HA 1 20 ARG QG 3.020 . 3.020 2.399 2.265 2.848 . 0 0 "[ . 1 . 2]" 1
328 1 20 ARG HB3 1 20 ARG QD 3.210 . 3.210 2.643 2.371 3.385 0.175 5 0 "[ . 1 . 2]" 1
329 1 20 ARG HB3 1 21 ASP HB3 5.500 . 5.500 5.153 4.870 5.628 0.128 6 0 "[ . 1 . 2]" 1
330 1 20 ARG HB3 1 21 ASP H 3.980 . 3.980 2.577 2.479 2.660 . 0 0 "[ . 1 . 2]" 1
331 1 20 ARG HB2 1 20 ARG QD 3.000 . 3.000 2.464 2.258 2.884 . 0 0 "[ . 1 . 2]" 1
332 1 20 ARG HB2 1 20 ARG QH2 5.340 . 5.340 5.204 3.907 6.037 0.697 1 6 "[+ . * *1 - .* *]" 1
333 1 20 ARG HB2 1 21 ASP H 4.500 . 4.500 3.830 3.761 3.928 . 0 0 "[ . 1 . 2]" 1
334 1 20 ARG H 1 20 ARG HB3 3.410 . 3.410 2.582 2.445 2.714 . 0 0 "[ . 1 . 2]" 1
335 1 20 ARG H 1 20 ARG HB2 3.120 . 3.120 2.495 2.382 2.620 . 0 0 "[ . 1 . 2]" 1
336 1 20 ARG H 1 20 ARG QD 4.950 . 4.950 4.503 4.097 4.715 . 0 0 "[ . 1 . 2]" 1
337 1 20 ARG H 1 20 ARG QG 4.710 . 4.710 3.965 3.929 4.068 . 0 0 "[ . 1 . 2]" 1
338 1 20 ARG H 1 21 ASP H 3.920 . 3.920 2.641 2.597 2.706 . 0 0 "[ . 1 . 2]" 1
339 1 21 ASP HA 1 21 ASP HB2 2.870 . 2.870 2.555 2.420 3.002 0.132 6 0 "[ . 1 . 2]" 1
340 1 21 ASP HB3 1 22 TRP H 3.550 . 3.550 2.649 2.468 3.573 0.023 5 0 "[ . 1 . 2]" 1
341 1 21 ASP HB3 1 23 ARG H 5.200 . 5.200 4.611 4.482 4.943 . 0 0 "[ . 1 . 2]" 1
342 1 21 ASP HB2 1 22 TRP H 5.110 . 5.110 3.715 2.696 3.940 . 0 0 "[ . 1 . 2]" 1
343 1 21 ASP HB2 1 53 TRP HE1 4.590 . 4.590 2.746 1.840 4.318 . 0 0 "[ . 1 . 2]" 1
344 1 21 ASP H 1 21 ASP HB3 3.420 . 3.420 2.732 2.469 3.544 0.124 6 0 "[ . 1 . 2]" 1
345 1 22 TRP HB3 1 23 ARG H 4.830 . 4.830 4.331 4.252 4.375 . 0 0 "[ . 1 . 2]" 1
346 1 22 TRP HB3 1 24 LYS HG3 5.500 . 5.500 3.616 3.341 4.437 . 0 0 "[ . 1 . 2]" 1
347 1 22 TRP HB3 1 24 LYS HG2 5.500 . 5.500 2.365 2.279 2.766 . 0 0 "[ . 1 . 2]" 1
348 1 22 TRP HB2 1 23 ARG H 4.060 . 4.060 3.486 3.415 3.561 . 0 0 "[ . 1 . 2]" 1
349 1 22 TRP HB2 1 24 LYS HD3 5.500 . 5.500 4.386 3.508 5.252 . 0 0 "[ . 1 . 2]" 1
350 1 22 TRP HB2 1 24 LYS HD2 5.500 . 5.500 4.813 3.465 5.490 . 0 0 "[ . 1 . 2]" 1
351 1 22 TRP HB2 1 24 LYS H 4.360 . 4.360 2.649 2.321 3.248 . 0 0 "[ . 1 . 2]" 1
352 1 22 TRP QB 1 26 MET QB 5.500 . 5.500 4.706 4.062 5.100 . 0 0 "[ . 1 . 2]" 1
353 1 22 TRP HD1 1 26 MET QB 4.500 . 4.500 4.253 3.395 4.621 0.121 4 0 "[ . 1 . 2]" 1
354 1 22 TRP HD1 1 26 MET ME 5.500 . 5.500 2.961 2.168 3.788 . 0 0 "[ . 1 . 2]" 1
355 1 22 TRP HD1 1 26 MET HG2 4.500 . 4.500 3.344 2.382 4.378 . 0 0 "[ . 1 . 2]" 1
356 1 22 TRP HE1 1 26 MET QB 5.560 . 5.560 5.310 4.690 5.641 0.081 10 0 "[ . 1 . 2]" 1
357 1 22 TRP HE1 1 26 MET QG 5.500 . 5.500 4.431 3.620 5.033 . 0 0 "[ . 1 . 2]" 1
358 1 22 TRP H 1 23 ARG H 3.390 . 3.390 2.542 2.404 2.641 . 0 0 "[ . 1 . 2]" 1
359 1 23 ARG HA 1 23 ARG QG 3.150 . 3.150 2.352 2.260 2.819 . 0 0 "[ . 1 . 2]" 1
360 1 23 ARG H 1 24 LYS HG2 5.500 . 5.500 4.519 4.151 5.100 . 0 0 "[ . 1 . 2]" 1
361 1 23 ARG H 1 24 LYS H 3.680 . 3.680 2.797 2.720 2.911 . 0 0 "[ . 1 . 2]" 1
362 1 24 LYS HA 1 25 GLU QB 5.340 . 5.340 4.185 3.986 4.465 . 0 0 "[ . 1 . 2]" 1
363 1 24 LYS QB 1 24 LYS QE 4.420 . 4.420 2.957 2.160 3.654 . 0 0 "[ . 1 . 2]" 1
364 1 24 LYS QG 1 25 GLU H 5.020 . 5.020 3.151 2.107 3.874 . 0 0 "[ . 1 . 2]" 1
365 1 24 LYS QG 1 26 MET H 5.500 . 5.500 4.710 4.400 5.035 . 0 0 "[ . 1 . 2]" 1
366 1 24 LYS QG 1 26 MET QB 4.720 . 4.720 3.885 3.252 4.622 . 0 0 "[ . 1 . 2]" 1
367 1 24 LYS QG 1 26 MET HG3 5.340 . 5.340 4.667 3.142 5.508 0.168 1 0 "[ . 1 . 2]" 1
368 1 24 LYS H 1 24 LYS QB 3.550 . 3.550 3.137 2.856 3.289 . 0 0 "[ . 1 . 2]" 1
369 1 25 GLU HA 1 25 GLU QG 3.740 . 3.740 2.779 2.301 3.443 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLU HA 1 26 MET HA 4.880 . 4.880 4.451 4.422 4.477 . 0 0 "[ . 1 . 2]" 1
371 1 25 GLU HA 1 26 MET H 2.840 . 2.840 2.168 2.121 2.216 . 0 0 "[ . 1 . 2]" 1
372 1 25 GLU QB 1 26 MET H 4.690 . 4.690 3.377 2.722 3.741 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLU QG 1 26 MET H 5.500 . 5.500 3.102 2.236 4.370 . 0 0 "[ . 1 . 2]" 1
374 1 25 GLU QG 1 26 MET HA 4.420 . 4.420 3.784 3.262 4.481 0.061 10 0 "[ . 1 . 2]" 1
375 1 25 GLU H 1 25 GLU HB3 3.680 . 3.680 2.711 2.485 3.526 . 0 0 "[ . 1 . 2]" 1
376 1 25 GLU H 1 25 GLU HB2 3.680 . 3.680 3.140 2.446 3.812 0.132 4 0 "[ . 1 . 2]" 1
377 1 25 GLU H 1 25 GLU QG 4.650 . 4.650 3.223 1.776 4.308 . 0 0 "[ . 1 . 2]" 1
378 1 26 MET HA 1 27 THR H 2.760 . 2.760 2.528 2.265 2.762 0.002 11 0 "[ . 1 . 2]" 1
379 1 26 MET HA 1 30 GLN QB 5.500 . 5.500 4.586 4.070 5.000 . 0 0 "[ . 1 . 2]" 1
380 1 26 MET HA 1 30 GLN HG2 5.500 . 5.500 4.637 3.940 5.237 . 0 0 "[ . 1 . 2]" 1
381 1 26 MET QB 1 27 THR H 4.300 . 4.300 2.290 1.796 2.869 . 0 0 "[ . 1 . 2]" 1
382 1 26 MET QB 1 30 GLN HB2 4.440 . 4.440 3.091 2.687 3.684 . 0 0 "[ . 1 . 2]" 1
383 1 26 MET QB 1 31 PHE HB2 5.290 . 5.290 5.017 4.281 5.389 0.099 5 0 "[ . 1 . 2]" 1
384 1 26 MET ME 1 31 PHE QB 4.000 . 4.000 2.534 2.034 3.277 . 0 0 "[ . 1 . 2]" 1
385 1 26 MET ME 1 31 PHE HD1 4.270 . 4.270 3.227 2.431 4.014 . 0 0 "[ . 1 . 2]" 1
386 1 26 MET ME 1 31 PHE HA 5.500 . 5.500 2.971 2.295 3.861 . 0 0 "[ . 1 . 2]" 1
387 1 26 MET ME 1 31 PHE HB3 5.250 . 5.250 3.907 3.204 4.689 . 0 0 "[ . 1 . 2]" 1
388 1 26 MET ME 1 31 PHE HB2 3.900 . 3.900 2.569 2.055 3.346 . 0 0 "[ . 1 . 2]" 1
389 1 26 MET HG3 1 27 THR H 4.700 . 4.700 4.151 3.270 4.792 0.092 19 0 "[ . 1 . 2]" 1
390 1 27 THR HA 1 27 THR MG 3.040 . 3.040 2.355 2.295 2.431 . 0 0 "[ . 1 . 2]" 1
391 1 27 THR HA 1 28 VAL HA 5.500 . 5.500 4.328 4.308 4.349 . 0 0 "[ . 1 . 2]" 1
392 1 27 THR HA 1 28 VAL HB 5.500 . 5.500 4.622 4.438 4.720 . 0 0 "[ . 1 . 2]" 1
393 1 27 THR HA 1 28 VAL MG2 4.790 . 4.790 3.861 3.783 4.047 . 0 0 "[ . 1 . 2]" 1
394 1 27 THR HA 1 28 VAL H 3.030 . 3.030 2.350 2.271 2.419 . 0 0 "[ . 1 . 2]" 1
395 1 27 THR HB 1 28 VAL HB 5.000 . 5.000 4.106 3.922 4.312 . 0 0 "[ . 1 . 2]" 1
396 1 27 THR HB 1 28 VAL MG2 5.500 . 5.500 4.543 4.371 4.811 . 0 0 "[ . 1 . 2]" 1
397 1 27 THR HB 1 28 VAL H 3.450 . 3.450 2.459 2.301 2.647 . 0 0 "[ . 1 . 2]" 1
398 1 27 THR HB 1 29 GLN QE 5.300 . 5.300 4.678 2.694 5.392 0.092 17 0 "[ . 1 . 2]" 1
399 1 27 THR HB 1 29 GLN H 3.890 . 3.890 2.797 2.625 2.941 . 0 0 "[ . 1 . 2]" 1
400 1 27 THR HB 1 30 GLN HB2 5.400 . 5.400 4.580 4.091 4.892 . 0 0 "[ . 1 . 2]" 1
401 1 27 THR HB 1 30 GLN QE 4.000 . 4.000 3.744 3.388 4.085 0.085 20 0 "[ . 1 . 2]" 1
402 1 27 THR HB 1 30 GLN HG2 5.500 . 5.500 5.434 4.988 5.574 0.074 9 0 "[ . 1 . 2]" 1
403 1 27 THR HB 1 30 GLN H 3.860 . 3.860 3.613 3.160 3.837 . 0 0 "[ . 1 . 2]" 1
404 1 27 THR MG 1 28 VAL H 3.980 . 3.980 3.650 3.538 3.733 . 0 0 "[ . 1 . 2]" 1
405 1 27 THR MG 1 30 GLN HB2 5.500 . 5.500 4.431 4.253 4.633 . 0 0 "[ . 1 . 2]" 1
406 1 27 THR MG 1 30 GLN QE 5.340 . 5.340 2.966 2.664 4.241 . 0 0 "[ . 1 . 2]" 1
407 1 27 THR MG 1 30 GLN HG2 5.500 . 5.500 4.307 4.068 4.713 . 0 0 "[ . 1 . 2]" 1
408 1 27 THR MG 1 30 GLN H 5.500 . 5.500 4.390 4.269 4.465 . 0 0 "[ . 1 . 2]" 1
409 1 27 THR H 1 27 THR MG 3.310 . 3.310 2.532 2.087 2.941 . 0 0 "[ . 1 . 2]" 1
410 1 27 THR H 1 28 VAL H 4.580 . 4.580 4.537 4.488 4.595 0.015 14 0 "[ . 1 . 2]" 1
411 1 27 THR H 1 30 GLN HB3 4.270 . 4.270 4.182 3.794 4.345 0.075 1 0 "[ . 1 . 2]" 1
412 1 27 THR H 1 30 GLN HB2 3.240 . 3.240 2.826 2.406 3.059 . 0 0 "[ . 1 . 2]" 1
413 1 27 THR H 1 30 GLN HG2 3.580 . 3.580 3.346 3.005 3.645 0.065 20 0 "[ . 1 . 2]" 1
414 1 27 THR H 1 30 GLN H 4.570 . 4.570 3.980 3.656 4.289 . 0 0 "[ . 1 . 2]" 1
415 1 28 VAL HA 1 31 PHE HB3 3.500 . 3.500 2.710 2.415 2.973 . 0 0 "[ . 1 . 2]" 1
416 1 28 VAL HA 1 31 PHE HB2 4.100 . 4.100 3.568 3.293 3.906 . 0 0 "[ . 1 . 2]" 1
417 1 28 VAL HA 1 31 PHE HD2 5.500 . 5.500 4.099 3.517 4.607 . 0 0 "[ . 1 . 2]" 1
418 1 28 VAL HA 1 31 PHE H 3.760 . 3.760 3.367 3.240 3.497 . 0 0 "[ . 1 . 2]" 1
419 1 28 VAL HA 1 32 LEU H 5.000 . 5.000 4.181 3.839 4.433 . 0 0 "[ . 1 . 2]" 1
420 1 28 VAL HB 1 29 GLN HB2 4.890 . 4.890 4.707 4.352 4.997 0.107 15 0 "[ . 1 . 2]" 1
421 1 28 VAL HB 1 29 GLN H 3.450 . 3.450 2.631 2.581 2.777 . 0 0 "[ . 1 . 2]" 1
422 1 28 VAL HB 1 30 GLN H 5.500 . 5.500 5.179 5.053 5.292 . 0 0 "[ . 1 . 2]" 1
423 1 28 VAL MG1 1 29 GLN HA 4.070 . 4.070 3.209 3.070 3.313 . 0 0 "[ . 1 . 2]" 1
424 1 28 VAL MG1 1 29 GLN QG 5.500 . 5.500 4.254 3.456 5.118 . 0 0 "[ . 1 . 2]" 1
425 1 28 VAL MG1 1 29 GLN H 3.880 . 3.880 3.135 2.898 3.218 . 0 0 "[ . 1 . 2]" 1
426 1 28 VAL MG1 1 31 PHE HD2 5.500 . 5.500 3.306 2.660 3.768 . 0 0 "[ . 1 . 2]" 1
427 1 28 VAL MG1 1 32 LEU HG 5.500 . 5.500 4.380 2.527 5.090 . 0 0 "[ . 1 . 2]" 1
428 1 28 VAL MG1 1 32 LEU H 5.500 . 5.500 3.592 3.194 3.837 . 0 0 "[ . 1 . 2]" 1
429 1 28 VAL MG2 1 29 GLN H 5.500 . 5.500 3.984 3.950 4.110 . 0 0 "[ . 1 . 2]" 1
430 1 28 VAL H 1 28 VAL HB 3.490 . 3.490 2.283 2.142 2.375 . 0 0 "[ . 1 . 2]" 1
431 1 28 VAL H 1 28 VAL MG1 4.340 . 4.340 3.698 3.598 3.740 . 0 0 "[ . 1 . 2]" 1
432 1 28 VAL H 1 28 VAL MG2 3.350 . 3.350 2.403 2.325 2.674 . 0 0 "[ . 1 . 2]" 1
433 1 28 VAL H 1 29 GLN H 3.550 . 3.550 2.638 2.558 2.732 . 0 0 "[ . 1 . 2]" 1
434 1 29 GLN HA 1 29 GLN QE 4.680 . 4.680 3.996 2.681 4.726 0.046 1 0 "[ . 1 . 2]" 1
435 1 29 GLN HA 1 29 GLN QG 3.250 . 3.250 2.389 2.280 2.813 . 0 0 "[ . 1 . 2]" 1
436 1 29 GLN HA 1 32 LEU QB 3.500 . 3.500 2.577 2.301 2.741 . 0 0 "[ . 1 . 2]" 1
437 1 29 GLN HA 1 32 LEU H 4.040 . 4.040 3.426 3.278 3.558 . 0 0 "[ . 1 . 2]" 1
438 1 29 GLN HA 1 33 ASP H 5.040 . 5.040 4.094 3.726 4.317 . 0 0 "[ . 1 . 2]" 1
439 1 29 GLN HB3 1 30 GLN HA 4.310 . 4.310 4.176 4.048 4.321 0.011 7 0 "[ . 1 . 2]" 1
440 1 29 GLN HB3 1 30 GLN H 3.140 . 3.140 2.983 2.514 3.342 0.202 15 0 "[ . 1 . 2]" 1
441 1 29 GLN HB2 1 29 GLN QG 2.590 . 2.590 2.379 2.190 2.431 . 0 0 "[ . 1 . 2]" 1
442 1 29 GLN HB2 1 30 GLN H 5.060 . 5.060 3.099 2.377 3.935 . 0 0 "[ . 1 . 2]" 1
443 1 29 GLN QG 1 30 GLN QE 5.020 . 5.020 4.302 2.526 4.998 . 0 0 "[ . 1 . 2]" 1
444 1 29 GLN H 1 29 GLN HB3 3.440 . 3.440 3.158 2.524 3.553 0.113 9 0 "[ . 1 . 2]" 1
445 1 29 GLN H 1 29 GLN HB2 3.310 . 3.310 2.369 2.213 2.542 . 0 0 "[ . 1 . 2]" 1
446 1 29 GLN H 1 29 GLN HG3 4.620 . 4.620 3.553 2.119 4.479 . 0 0 "[ . 1 . 2]" 1
447 1 29 GLN H 1 29 GLN HG2 4.620 . 4.620 3.950 2.069 4.634 0.014 17 0 "[ . 1 . 2]" 1
448 1 29 GLN H 1 30 GLN H 3.550 . 3.550 2.853 2.770 2.958 . 0 0 "[ . 1 . 2]" 1
449 1 30 GLN HA 1 30 GLN HG3 3.270 . 3.270 2.530 2.385 2.634 . 0 0 "[ . 1 . 2]" 1
450 1 30 GLN HA 1 31 PHE HA 4.820 . 4.820 4.809 4.787 4.830 0.010 5 0 "[ . 1 . 2]" 1
451 1 30 GLN HA 1 33 ASP HB3 4.930 . 4.930 2.875 2.579 3.079 . 0 0 "[ . 1 . 2]" 1
452 1 30 GLN HA 1 33 ASP HB2 3.890 . 3.890 3.444 3.107 3.861 . 0 0 "[ . 1 . 2]" 1
453 1 30 GLN HA 1 33 ASP H 4.330 . 4.330 3.467 3.317 3.734 . 0 0 "[ . 1 . 2]" 1
454 1 30 GLN HB3 1 30 GLN HG3 2.860 . 2.860 2.398 2.363 2.471 . 0 0 "[ . 1 . 2]" 1
455 1 30 GLN HB3 1 31 PHE H 3.970 . 3.970 3.323 3.221 3.470 . 0 0 "[ . 1 . 2]" 1
456 1 30 GLN HB2 1 30 GLN HG2 2.940 . 2.940 2.389 2.357 2.448 . 0 0 "[ . 1 . 2]" 1
457 1 30 GLN HB2 1 31 PHE H 3.590 . 3.590 2.718 2.588 2.831 . 0 0 "[ . 1 . 2]" 1
458 1 30 GLN HG3 1 31 PHE H 5.500 . 5.500 5.080 4.987 5.162 . 0 0 "[ . 1 . 2]" 1
459 1 30 GLN QE 1 30 GLN HG2 3.460 . 3.460 2.331 2.189 3.399 . 0 0 "[ . 1 . 2]" 1
460 1 30 GLN HG2 1 31 PHE H 5.430 . 5.430 5.025 4.891 5.120 . 0 0 "[ . 1 . 2]" 1
461 1 30 GLN H 1 30 GLN HB3 3.890 . 3.890 3.516 3.477 3.547 . 0 0 "[ . 1 . 2]" 1
462 1 30 GLN H 1 30 GLN HB2 3.610 . 3.610 2.219 2.156 2.279 . 0 0 "[ . 1 . 2]" 1
463 1 30 GLN H 1 30 GLN HG2 3.600 . 3.600 3.738 3.603 3.887 0.287 2 0 "[ . 1 . 2]" 1
464 1 30 GLN H 1 31 PHE H 3.390 . 3.390 2.721 2.645 2.806 . 0 0 "[ . 1 . 2]" 1
465 1 31 PHE HA 1 31 PHE HD1 3.960 . 3.960 2.468 2.337 2.840 . 0 0 "[ . 1 . 2]" 1
466 1 31 PHE HA 1 33 ASP HB3 5.500 . 5.500 5.275 5.094 5.506 0.006 5 0 "[ . 1 . 2]" 1
467 1 31 PHE HA 1 34 LEU QB 4.000 . 4.000 2.438 2.308 2.664 . 0 0 "[ . 1 . 2]" 1
468 1 31 PHE HA 1 34 LEU H 4.410 . 4.410 3.368 3.209 3.542 . 0 0 "[ . 1 . 2]" 1
469 1 31 PHE HA 1 35 LYS H 5.440 . 5.440 4.012 3.781 4.221 . 0 0 "[ . 1 . 2]" 1
470 1 31 PHE HB3 1 31 PHE HD2 3.210 . 3.210 2.344 2.324 2.370 . 0 0 "[ . 1 . 2]" 1
471 1 31 PHE HB3 1 32 LEU H 3.720 . 3.720 2.578 2.491 2.626 . 0 0 "[ . 1 . 2]" 1
472 1 31 PHE HB2 1 31 PHE HD1 3.630 . 3.630 2.671 2.566 2.764 . 0 0 "[ . 1 . 2]" 1
473 1 31 PHE HB2 1 32 LEU H 4.320 . 4.320 3.925 3.860 3.968 . 0 0 "[ . 1 . 2]" 1
474 1 31 PHE QB 1 34 LEU MD2 5.500 . 5.500 4.528 4.356 4.830 . 0 0 "[ . 1 . 2]" 1
475 1 31 PHE HD1 1 34 LEU QB 5.230 . 5.230 3.486 3.175 4.212 . 0 0 "[ . 1 . 2]" 1
476 1 31 PHE QD 1 34 LEU MD2 4.970 . 4.970 3.035 2.434 3.804 . 0 0 "[ . 1 . 2]" 1
477 1 31 PHE HD2 1 32 LEU HA 5.500 . 5.500 3.749 3.358 4.029 . 0 0 "[ . 1 . 2]" 1
478 1 31 PHE HD2 1 32 LEU QB 4.480 . 4.480 4.291 3.171 4.803 0.323 16 0 "[ . 1 . 2]" 1
479 1 31 PHE QD 1 32 LEU H 5.500 . 5.500 3.445 2.869 3.638 . 0 0 "[ . 1 . 2]" 1
480 1 31 PHE HD2 1 35 LYS QD 5.070 . 5.070 3.585 3.119 3.838 . 0 0 "[ . 1 . 2]" 1
481 1 31 PHE HD2 1 35 LYS QE 5.340 . 5.340 5.097 4.645 5.444 0.104 7 0 "[ . 1 . 2]" 1
482 1 31 PHE HD2 1 35 LYS HG2 5.500 . 5.500 5.386 4.901 5.580 0.080 8 0 "[ . 1 . 2]" 1
483 1 31 PHE QE 1 35 LYS QB 5.500 . 5.500 3.492 2.950 3.783 . 0 0 "[ . 1 . 2]" 1
484 1 31 PHE QE 1 35 LYS QD 4.790 . 4.790 2.927 2.695 3.232 . 0 0 "[ . 1 . 2]" 1
485 1 31 PHE QE 1 35 LYS QE 5.500 . 5.500 4.179 3.040 4.981 . 0 0 "[ . 1 . 2]" 1
486 1 31 PHE H 1 31 PHE HB3 3.320 . 3.320 2.404 2.232 2.491 . 0 0 "[ . 1 . 2]" 1
487 1 31 PHE H 1 31 PHE HB2 3.440 . 3.440 2.664 2.573 2.731 . 0 0 "[ . 1 . 2]" 1
488 1 31 PHE H 1 31 PHE HD1 5.500 . 5.500 4.734 4.645 4.915 . 0 0 "[ . 1 . 2]" 1
489 1 31 PHE H 1 31 PHE HD2 5.290 . 5.290 4.638 4.339 4.741 . 0 0 "[ . 1 . 2]" 1
490 1 31 PHE H 1 32 LEU H 3.420 . 3.420 2.704 2.638 2.761 . 0 0 "[ . 1 . 2]" 1
491 1 32 LEU HA 1 32 LEU HG 3.980 . 3.980 2.975 2.277 3.705 . 0 0 "[ . 1 . 2]" 1
492 1 32 LEU HA 1 34 LEU H 5.400 . 5.400 4.345 4.132 4.475 . 0 0 "[ . 1 . 2]" 1
493 1 32 LEU HA 1 35 LYS QB 3.500 . 3.500 3.700 3.351 3.942 0.442 3 0 "[ . 1 . 2]" 1
494 1 32 LEU HA 1 35 LYS H 4.460 . 4.460 3.543 3.302 3.697 . 0 0 "[ . 1 . 2]" 1
495 1 32 LEU HA 1 36 GLU H 5.060 . 5.060 3.832 3.631 4.059 . 0 0 "[ . 1 . 2]" 1
496 1 32 LEU HB3 1 33 ASP H 3.820 . 3.820 3.037 2.466 3.810 . 0 0 "[ . 1 . 2]" 1
497 1 32 LEU HB2 1 33 ASP H 3.820 . 3.820 3.230 2.747 3.907 0.087 11 0 "[ . 1 . 2]" 1
498 1 32 LEU QB 1 32 LEU MD1 3.030 . 3.030 2.295 2.077 2.484 . 0 0 "[ . 1 . 2]" 1
499 1 32 LEU QB 1 32 LEU MD2 3.070 . 3.070 2.160 2.064 2.400 . 0 0 "[ . 1 . 2]" 1
500 1 32 LEU QB 1 33 ASP HA 5.050 . 5.050 3.963 3.842 4.294 . 0 0 "[ . 1 . 2]" 1
501 1 32 LEU QB 1 33 ASP HB2 5.340 . 5.340 4.148 4.015 4.337 . 0 0 "[ . 1 . 2]" 1
502 1 32 LEU QB 1 33 ASP H 4.000 . 4.000 2.631 2.436 2.788 . 0 0 "[ . 1 . 2]" 1
503 1 32 LEU MD1 1 35 LYS QD 4.660 . 4.660 2.867 2.032 4.462 . 0 0 "[ . 1 . 2]" 1
504 1 32 LEU MD1 1 35 LYS QE 4.670 . 4.670 3.345 1.970 4.090 . 0 0 "[ . 1 . 2]" 1
505 1 32 LEU MD1 1 33 ASP H 5.140 . 5.140 4.196 3.675 4.699 . 0 0 "[ . 1 . 2]" 1
506 1 32 LEU MD2 1 33 ASP H 5.500 . 5.500 4.505 3.385 4.826 . 0 0 "[ . 1 . 2]" 1
507 1 32 LEU H 1 32 LEU QB 2.680 . 2.680 2.178 2.011 2.454 . 0 0 "[ . 1 . 2]" 1
508 1 32 LEU H 1 32 LEU MD1 5.490 . 5.490 3.229 1.954 4.203 . 0 0 "[ . 1 . 2]" 1
509 1 32 LEU H 1 33 ASP H 3.680 . 3.680 2.679 2.635 2.718 . 0 0 "[ . 1 . 2]" 1
510 1 33 ASP HA 1 35 LYS H 5.500 . 5.500 4.681 4.606 4.768 . 0 0 "[ . 1 . 2]" 1
511 1 33 ASP HA 1 36 GLU HB3 3.040 . 3.040 2.759 2.639 2.837 . 0 0 "[ . 1 . 2]" 1
512 1 33 ASP HA 1 36 GLU HB2 4.820 . 4.820 3.468 3.198 3.639 . 0 0 "[ . 1 . 2]" 1
513 1 33 ASP HA 1 36 GLU H 3.940 . 3.940 3.695 3.517 3.826 . 0 0 "[ . 1 . 2]" 1
514 1 33 ASP HB3 1 34 LEU H 3.580 . 3.580 2.618 2.470 2.745 . 0 0 "[ . 1 . 2]" 1
515 1 33 ASP HB3 1 36 GLU HB3 5.500 . 5.500 5.463 5.357 5.551 0.051 5 0 "[ . 1 . 2]" 1
516 1 33 ASP HB2 1 34 LEU H 4.030 . 4.030 3.815 3.698 3.965 . 0 0 "[ . 1 . 2]" 1
517 1 33 ASP H 1 33 ASP HB2 3.260 . 3.260 2.480 2.369 2.609 . 0 0 "[ . 1 . 2]" 1
518 1 33 ASP H 1 34 LEU H 3.380 . 3.380 2.566 2.475 2.656 . 0 0 "[ . 1 . 2]" 1
519 1 34 LEU HA 1 37 ARG QB 4.810 . 4.810 3.038 2.787 3.249 . 0 0 "[ . 1 . 2]" 1
520 1 34 LEU HA 1 37 ARG QG 5.240 . 5.240 4.052 3.334 4.435 . 0 0 "[ . 1 . 2]" 1
521 1 34 LEU HA 1 37 ARG H 4.100 . 4.100 3.775 3.634 3.988 . 0 0 "[ . 1 . 2]" 1
522 1 34 LEU HA 1 38 ALA H 5.500 . 5.500 4.027 3.861 4.126 . 0 0 "[ . 1 . 2]" 1
523 1 34 LEU QB 1 35 LYS H 3.460 . 3.460 2.516 2.420 2.611 . 0 0 "[ . 1 . 2]" 1
524 1 34 LEU MD1 1 47 SER HA 5.000 . 5.000 2.903 2.295 4.190 . 0 0 "[ . 1 . 2]" 1
525 1 34 LEU MD1 1 47 SER H 5.500 . 5.500 3.752 3.327 4.891 . 0 0 "[ . 1 . 2]" 1
526 1 34 LEU MD1 1 50 TYR QD 4.010 . 4.010 3.956 3.602 4.101 0.091 9 0 "[ . 1 . 2]" 1
527 1 34 LEU MD1 1 46 ASP QB 4.090 . 4.090 2.102 1.998 2.321 . 0 0 "[ . 1 . 2]" 1
528 1 34 LEU MD1 1 46 ASP H 5.500 . 5.500 4.619 4.270 5.365 . 0 0 "[ . 1 . 2]" 1
529 1 34 LEU MD1 1 35 LYS H 5.500 . 5.500 4.247 4.145 4.703 . 0 0 "[ . 1 . 2]" 1
530 1 34 LEU MD1 1 38 ALA MB 5.130 . 5.130 3.059 2.671 4.361 . 0 0 "[ . 1 . 2]" 1
531 1 34 LEU MD1 1 38 ALA H 5.500 . 5.500 3.742 3.312 5.571 0.071 6 0 "[ . 1 . 2]" 1
532 1 34 LEU MD1 1 46 ASP HB2 4.100 . 4.100 2.889 2.453 3.708 . 0 0 "[ . 1 . 2]" 1
533 1 34 LEU MD2 1 35 LYS HA 5.500 . 5.500 4.550 2.440 4.857 . 0 0 "[ . 1 . 2]" 1
534 1 34 LEU MD2 1 35 LYS HB3 5.500 . 5.500 4.680 2.890 4.991 . 0 0 "[ . 1 . 2]" 1
535 1 34 LEU MD2 1 35 LYS H 5.500 . 5.500 4.085 2.651 4.308 . 0 0 "[ . 1 . 2]" 1
536 1 34 LEU MD2 1 46 ASP QB 5.500 . 5.500 3.135 2.501 4.498 . 0 0 "[ . 1 . 2]" 1
537 1 34 LEU MD2 1 50 TYR QB 5.500 . 5.500 2.371 2.232 2.762 . 0 0 "[ . 1 . 2]" 1
538 1 34 LEU HG 1 35 LYS H 4.940 . 4.940 3.468 3.291 4.067 . 0 0 "[ . 1 . 2]" 1
539 1 34 LEU HG 1 38 ALA MB 4.850 . 4.850 3.447 3.093 3.686 . 0 0 "[ . 1 . 2]" 1
540 1 34 LEU HG 1 50 TYR QD 4.420 . 4.420 3.724 3.317 4.531 0.111 17 0 "[ . 1 . 2]" 1
541 1 34 LEU H 1 34 LEU HB3 2.970 . 2.970 2.390 2.294 2.452 . 0 0 "[ . 1 . 2]" 1
542 1 34 LEU H 1 34 LEU HB2 3.280 . 3.280 2.621 2.572 2.699 . 0 0 "[ . 1 . 2]" 1
543 1 34 LEU H 1 34 LEU MD1 4.920 . 4.920 4.112 4.056 4.344 . 0 0 "[ . 1 . 2]" 1
544 1 34 LEU H 1 34 LEU MD2 4.700 . 4.700 4.215 3.953 4.258 . 0 0 "[ . 1 . 2]" 1
545 1 34 LEU H 1 35 LYS HB3 5.500 . 5.500 4.966 4.784 5.125 . 0 0 "[ . 1 . 2]" 1
546 1 34 LEU H 1 35 LYS QD 5.340 . 5.340 5.509 5.362 5.608 0.268 17 0 "[ . 1 . 2]" 1
547 1 34 LEU H 1 35 LYS HG2 5.500 . 5.500 4.473 4.173 4.723 . 0 0 "[ . 1 . 2]" 1
548 1 34 LEU H 1 35 LYS H 3.640 . 3.640 2.769 2.732 2.839 . 0 0 "[ . 1 . 2]" 1
549 1 34 LEU H 1 37 ARG H 5.240 . 5.240 4.808 4.703 4.906 . 0 0 "[ . 1 . 2]" 1
550 1 35 LYS HA 1 35 LYS HB3 2.830 . 2.830 2.600 2.521 2.675 . 0 0 "[ . 1 . 2]" 1
551 1 35 LYS HA 1 35 LYS HG2 3.790 . 3.790 3.718 3.662 3.759 . 0 0 "[ . 1 . 2]" 1
552 1 35 LYS HA 1 38 ALA MB 3.650 . 3.650 2.544 2.306 2.729 . 0 0 "[ . 1 . 2]" 1
553 1 35 LYS HA 1 38 ALA H 4.330 . 4.330 3.378 3.187 3.617 . 0 0 "[ . 1 . 2]" 1
554 1 35 LYS HA 1 39 LEU HB2 5.200 . 5.200 4.491 4.392 4.678 . 0 0 "[ . 1 . 2]" 1
555 1 35 LYS HA 1 39 LEU MD1 5.070 . 5.070 2.657 2.568 2.812 . 0 0 "[ . 1 . 2]" 1
556 1 35 LYS HA 1 39 LEU HG 5.500 . 5.500 5.677 5.604 5.813 0.313 4 0 "[ . 1 . 2]" 1
557 1 35 LYS HA 1 39 LEU H 4.810 . 4.810 3.437 3.316 3.577 . 0 0 "[ . 1 . 2]" 1
558 1 35 LYS HB3 1 38 ALA MB 5.500 . 5.500 4.742 4.389 4.934 . 0 0 "[ . 1 . 2]" 1
559 1 35 LYS QB 1 36 GLU H 5.000 . 5.000 3.398 3.337 3.508 . 0 0 "[ . 1 . 2]" 1
560 1 35 LYS QB 1 38 ALA MB 5.500 . 5.500 3.959 3.655 4.131 . 0 0 "[ . 1 . 2]" 1
561 1 35 LYS QD 1 36 GLU H 5.340 . 5.340 3.969 3.722 4.138 . 0 0 "[ . 1 . 2]" 1
562 1 35 LYS QE 1 39 LEU HB2 5.340 . 5.340 5.186 4.641 5.619 0.279 14 0 "[ . 1 . 2]" 1
563 1 35 LYS QE 1 39 LEU MD1 5.340 . 5.340 4.591 3.490 5.348 0.008 2 0 "[ . 1 . 2]" 1
564 1 35 LYS QE 1 39 LEU MD2 5.340 . 5.340 3.288 2.368 4.200 . 0 0 "[ . 1 . 2]" 1
565 1 35 LYS QE 1 35 LYS HG3 3.030 . 3.030 2.372 2.265 2.923 . 0 0 "[ . 1 . 2]" 1
566 1 35 LYS HG3 1 36 GLU HA 4.500 . 4.500 3.101 3.026 3.189 . 0 0 "[ . 1 . 2]" 1
567 1 35 LYS HG3 1 36 GLU HB2 5.470 . 5.470 3.707 3.482 3.948 . 0 0 "[ . 1 . 2]" 1
568 1 35 LYS QG 1 36 GLU H 3.750 . 3.750 1.933 1.792 2.138 . 0 0 "[ . 1 . 2]" 1
569 1 35 LYS QE 1 35 LYS QG 3.500 . 3.500 2.236 2.095 2.793 . 0 0 "[ . 1 . 2]" 1
570 1 35 LYS H 1 35 LYS QD 5.300 . 5.300 3.665 3.540 3.755 . 0 0 "[ . 1 . 2]" 1
571 1 35 LYS H 1 35 LYS HG3 3.500 . 3.500 3.719 3.428 3.902 0.402 9 0 "[ . 1 . 2]" 1
572 1 35 LYS H 1 35 LYS HG2 3.710 . 3.710 2.449 2.176 2.706 . 0 0 "[ . 1 . 2]" 1
573 1 35 LYS H 1 38 ALA MB 5.480 . 5.480 4.581 4.319 4.753 . 0 0 "[ . 1 . 2]" 1
574 1 35 LYS H 1 36 GLU H 3.500 . 3.500 2.592 2.556 2.632 . 0 0 "[ . 1 . 2]" 1
575 1 36 GLU HA 1 36 GLU HB2 2.740 . 2.740 2.487 2.459 2.552 . 0 0 "[ . 1 . 2]" 1
576 1 36 GLU HA 1 36 GLU QG 3.060 . 3.060 2.464 2.331 2.906 . 0 0 "[ . 1 . 2]" 1
577 1 36 GLU HA 1 39 LEU HB3 5.110 . 5.110 4.461 4.189 4.653 . 0 0 "[ . 1 . 2]" 1
578 1 36 GLU HA 1 39 LEU HB2 3.600 . 3.600 3.070 2.838 3.265 . 0 0 "[ . 1 . 2]" 1
579 1 36 GLU HA 1 39 LEU MD2 5.500 . 5.500 3.748 3.172 4.122 . 0 0 "[ . 1 . 2]" 1
580 1 36 GLU HA 1 39 LEU H 4.370 . 4.370 3.927 3.774 4.058 . 0 0 "[ . 1 . 2]" 1
581 1 36 GLU HA 1 40 SER H 5.370 . 5.370 4.211 4.119 4.388 . 0 0 "[ . 1 . 2]" 1
582 1 36 GLU HB3 1 37 ARG H 3.230 . 3.230 2.362 2.283 2.468 . 0 0 "[ . 1 . 2]" 1
583 1 36 GLU HB2 1 37 ARG H 4.150 . 4.150 3.731 3.600 3.793 . 0 0 "[ . 1 . 2]" 1
584 1 36 GLU HG3 1 37 ARG H 5.040 . 5.040 4.357 3.502 4.706 . 0 0 "[ . 1 . 2]" 1
585 1 36 GLU HG2 1 37 ARG H 5.040 . 5.040 3.783 3.450 4.521 . 0 0 "[ . 1 . 2]" 1
586 1 36 GLU QG 1 37 ARG HA 4.140 . 4.140 3.562 3.445 3.791 . 0 0 "[ . 1 . 2]" 1
587 1 36 GLU QG 1 37 ARG H 4.180 . 4.180 3.466 3.344 3.622 . 0 0 "[ . 1 . 2]" 1
588 1 36 GLU QG 1 39 LEU HB2 5.310 . 5.310 4.794 4.444 5.377 0.067 15 0 "[ . 1 . 2]" 1
589 1 36 GLU H 1 36 GLU HB3 2.740 . 2.740 2.611 2.544 2.726 . 0 0 "[ . 1 . 2]" 1
590 1 36 GLU H 1 36 GLU HB2 3.530 . 3.530 2.469 2.329 2.534 . 0 0 "[ . 1 . 2]" 1
591 1 36 GLU H 1 36 GLU QG 4.240 . 4.240 3.980 3.948 4.055 . 0 0 "[ . 1 . 2]" 1
592 1 36 GLU H 1 38 ALA MB 5.500 . 5.500 4.888 4.696 4.990 . 0 0 "[ . 1 . 2]" 1
593 1 37 ARG HA 1 37 ARG QG 3.400 . 3.400 2.379 2.248 2.817 . 0 0 "[ . 1 . 2]" 1
594 1 37 ARG HB3 1 42 ALA MB 3.980 . 3.980 2.221 2.167 2.321 . 0 0 "[ . 1 . 2]" 1
595 1 37 ARG HB2 1 42 ALA MB 3.980 . 3.980 3.406 3.322 3.529 . 0 0 "[ . 1 . 2]" 1
596 1 37 ARG QB 1 37 ARG QD 3.210 . 3.210 2.208 2.118 2.587 . 0 0 "[ . 1 . 2]" 1
597 1 37 ARG QB 1 38 ALA H 3.940 . 3.940 2.489 2.416 2.589 . 0 0 "[ . 1 . 2]" 1
598 1 37 ARG QB 1 42 ALA MB 3.930 . 3.930 2.194 2.140 2.288 . 0 0 "[ . 1 . 2]" 1
599 1 37 ARG QB 1 42 ALA H 4.320 . 4.320 4.282 4.222 4.338 0.018 1 0 "[ . 1 . 2]" 1
600 1 37 ARG QB 1 47 SER QB 5.180 . 5.180 3.788 3.461 4.271 . 0 0 "[ . 1 . 2]" 1
601 1 37 ARG QG 1 38 ALA H 4.320 . 4.320 4.135 4.020 4.196 . 0 0 "[ . 1 . 2]" 1
602 1 37 ARG H 1 37 ARG HB3 3.750 . 3.750 3.573 3.554 3.596 . 0 0 "[ . 1 . 2]" 1
603 1 37 ARG H 1 37 ARG HB2 3.750 . 3.750 2.375 2.343 2.448 . 0 0 "[ . 1 . 2]" 1
604 1 37 ARG H 1 37 ARG QB 3.220 . 3.220 2.342 2.313 2.408 . 0 0 "[ . 1 . 2]" 1
605 1 37 ARG H 1 37 ARG QG 3.310 . 3.310 2.315 2.150 2.435 . 0 0 "[ . 1 . 2]" 1
606 1 37 ARG H 1 38 ALA MB 5.500 . 5.500 4.386 4.304 4.460 . 0 0 "[ . 1 . 2]" 1
607 1 37 ARG H 1 38 ALA H 3.350 . 3.350 2.755 2.702 2.797 . 0 0 "[ . 1 . 2]" 1
608 1 37 ARG H 1 42 ALA MB 5.500 . 5.500 4.736 4.633 4.883 . 0 0 "[ . 1 . 2]" 1
609 1 38 ALA HA 1 41 GLY QA 4.880 . 4.880 4.553 4.339 4.730 . 0 0 "[ . 1 . 2]" 1
610 1 38 ALA HA 1 41 GLY H 4.520 . 4.520 3.717 3.572 3.938 . 0 0 "[ . 1 . 2]" 1
611 1 38 ALA HA 1 42 ALA MB 3.530 . 3.530 2.330 2.212 2.665 . 0 0 "[ . 1 . 2]" 1
612 1 38 ALA HA 1 42 ALA H 3.390 . 3.390 2.765 2.538 2.908 . 0 0 "[ . 1 . 2]" 1
613 1 38 ALA HA 1 47 SER QB 3.300 . 3.300 2.396 2.246 2.743 . 0 0 "[ . 1 . 2]" 1
614 1 38 ALA MB 1 42 ALA H 5.500 . 5.500 4.325 4.134 4.442 . 0 0 "[ . 1 . 2]" 1
615 1 38 ALA MB 1 47 SER HA 4.010 . 4.010 2.362 2.225 2.577 . 0 0 "[ . 1 . 2]" 1
616 1 38 ALA MB 1 47 SER QB 4.190 . 4.190 2.743 2.683 2.871 . 0 0 "[ . 1 . 2]" 1
617 1 38 ALA MB 1 50 TYR QB 5.000 . 5.000 2.884 2.597 3.155 . 0 0 "[ . 1 . 2]" 1
618 1 38 ALA MB 1 50 TYR QD 5.000 . 5.000 2.259 2.045 2.599 . 0 0 "[ . 1 . 2]" 1
619 1 38 ALA MB 1 39 LEU HA 5.000 . 5.000 3.695 3.642 3.804 . 0 0 "[ . 1 . 2]" 1
620 1 38 ALA MB 1 39 LEU MD1 5.060 . 5.060 2.236 2.141 2.352 . 0 0 "[ . 1 . 2]" 1
621 1 38 ALA MB 1 39 LEU H 4.050 . 4.050 2.378 2.248 2.592 . 0 0 "[ . 1 . 2]" 1
622 1 38 ALA MB 1 51 ASN HD22 4.570 . 4.570 2.645 1.809 3.113 . 0 0 "[ . 1 . 2]" 1
623 1 38 ALA MB 1 51 ASN QB 5.350 . 5.350 4.574 4.030 4.948 . 0 0 "[ . 1 . 2]" 1
624 1 38 ALA MB 1 51 ASN QD 5.070 . 5.070 2.572 1.761 3.033 . 0 0 "[ . 1 . 2]" 1
625 1 38 ALA MB 1 51 ASN H 4.650 . 4.650 3.958 3.422 4.317 . 0 0 "[ . 1 . 2]" 1
626 1 38 ALA H 1 38 ALA MB 3.240 . 3.240 2.149 2.066 2.245 . 0 0 "[ . 1 . 2]" 1
627 1 38 ALA H 1 39 LEU H 3.310 . 3.310 2.760 2.656 2.822 . 0 0 "[ . 1 . 2]" 1
628 1 38 ALA H 1 42 ALA MB 5.500 . 5.500 3.572 3.463 3.783 . 0 0 "[ . 1 . 2]" 1
629 1 39 LEU HA 1 39 LEU HB3 2.930 . 2.930 2.653 2.628 2.684 . 0 0 "[ . 1 . 2]" 1
630 1 39 LEU HA 1 39 LEU MD1 3.230 . 3.230 2.273 2.122 2.641 . 0 0 "[ . 1 . 2]" 1
631 1 39 LEU HA 1 39 LEU HG 3.760 . 3.760 2.493 2.302 2.708 . 0 0 "[ . 1 . 2]" 1
632 1 39 LEU HB3 1 40 SER HA 4.560 . 4.560 4.318 4.237 4.376 . 0 0 "[ . 1 . 2]" 1
633 1 39 LEU HB3 1 40 SER H 4.380 . 4.380 3.746 3.622 3.832 . 0 0 "[ . 1 . 2]" 1
634 1 39 LEU HB3 1 41 GLY H 5.380 . 5.380 4.941 4.858 4.995 . 0 0 "[ . 1 . 2]" 1
635 1 39 LEU HB2 1 40 SER H 3.920 . 3.920 3.151 3.025 3.233 . 0 0 "[ . 1 . 2]" 1
636 1 39 LEU HB2 1 41 GLY H 5.500 . 5.500 4.978 4.907 5.027 . 0 0 "[ . 1 . 2]" 1
637 1 39 LEU MD1 1 40 SER H 5.500 . 5.500 4.060 4.001 4.138 . 0 0 "[ . 1 . 2]" 1
638 1 39 LEU H 1 39 LEU HB3 3.590 . 3.590 3.521 3.503 3.542 . 0 0 "[ . 1 . 2]" 1
639 1 39 LEU H 1 39 LEU HB2 2.830 . 2.830 2.237 2.208 2.264 . 0 0 "[ . 1 . 2]" 1
640 1 39 LEU H 1 39 LEU MD1 4.580 . 4.580 2.000 1.901 2.192 . 0 0 "[ . 1 . 2]" 1
641 1 39 LEU H 1 39 LEU MD2 5.500 . 5.500 3.641 3.356 3.998 . 0 0 "[ . 1 . 2]" 1
642 1 39 LEU H 1 39 LEU HG 3.930 . 3.930 3.963 3.894 4.068 0.138 12 0 "[ . 1 . 2]" 1
643 1 39 LEU H 1 40 SER H 3.470 . 3.470 2.551 2.399 2.609 . 0 0 "[ . 1 . 2]" 1
644 1 40 SER HA 1 40 SER QB 2.600 . 2.600 2.301 2.186 2.409 . 0 0 "[ . 1 . 2]" 1
645 1 40 SER H 1 40 SER QB 2.980 . 2.980 2.326 2.152 2.589 . 0 0 "[ . 1 . 2]" 1
646 1 40 SER H 1 41 GLY QA 5.340 . 5.340 4.475 4.442 4.519 . 0 0 "[ . 1 . 2]" 1
647 1 40 SER H 1 41 GLY H 3.740 . 3.740 2.539 2.492 2.620 . 0 0 "[ . 1 . 2]" 1
648 1 41 GLY H 1 42 ALA MB 5.170 . 5.170 4.028 3.961 4.120 . 0 0 "[ . 1 . 2]" 1
649 1 42 ALA HA 1 43 SER QB 4.560 . 4.560 4.272 4.014 4.466 . 0 0 "[ . 1 . 2]" 1
650 1 42 ALA HA 1 43 SER H 3.350 . 3.350 2.245 2.190 2.303 . 0 0 "[ . 1 . 2]" 1
651 1 42 ALA HA 1 44 ASP H 5.160 . 5.160 3.714 3.597 3.900 . 0 0 "[ . 1 . 2]" 1
652 1 42 ALA MB 1 43 SER HA 5.500 . 5.500 4.141 4.085 4.242 . 0 0 "[ . 1 . 2]" 1
653 1 42 ALA MB 1 47 SER QB 3.790 . 3.790 2.217 2.155 2.313 . 0 0 "[ . 1 . 2]" 1
654 1 42 ALA MB 1 43 SER H 4.110 . 4.110 2.711 2.565 2.833 . 0 0 "[ . 1 . 2]" 1
655 1 42 ALA MB 1 44 ASP HA 5.270 . 5.270 4.658 4.507 4.936 . 0 0 "[ . 1 . 2]" 1
656 1 42 ALA MB 1 44 ASP QB 5.300 . 5.300 2.980 2.721 3.812 . 0 0 "[ . 1 . 2]" 1
657 1 42 ALA MB 1 44 ASP H 3.800 . 3.800 2.441 2.312 2.583 . 0 0 "[ . 1 . 2]" 1
658 1 42 ALA H 1 42 ALA MB 3.030 . 3.030 2.241 2.205 2.268 . 0 0 "[ . 1 . 2]" 1
659 1 43 SER HA 1 43 SER QB 2.600 . 2.600 2.277 2.189 2.404 . 0 0 "[ . 1 . 2]" 1
660 1 43 SER HA 1 48 GLN HG3 5.500 . 5.500 5.618 5.537 5.764 0.264 5 0 "[ . 1 . 2]" 1
661 1 43 SER HA 1 48 GLN HG2 5.190 . 5.190 3.993 3.793 5.055 . 0 0 "[ . 1 . 2]" 1
662 1 43 SER QB 1 44 ASP HA 5.340 . 5.340 4.445 4.079 4.766 . 0 0 "[ . 1 . 2]" 1
663 1 43 SER H 1 44 ASP H 3.800 . 3.800 2.176 2.000 2.307 . 0 0 "[ . 1 . 2]" 1
664 1 44 ASP HA 1 45 PRO HB3 5.500 . 5.500 5.070 5.013 5.116 . 0 0 "[ . 1 . 2]" 1
665 1 44 ASP HA 1 45 PRO QD 3.500 . 3.500 2.154 2.135 2.171 . 0 0 "[ . 1 . 2]" 1
666 1 44 ASP HA 1 45 PRO HG2 4.840 . 4.840 4.510 4.488 4.530 . 0 0 "[ . 1 . 2]" 1
667 1 44 ASP HA 1 47 SER QB 4.430 . 4.430 4.413 4.158 4.514 0.084 4 0 "[ . 1 . 2]" 1
668 1 44 ASP QB 1 45 PRO HB3 5.340 . 5.340 5.368 5.336 5.399 0.059 10 0 "[ . 1 . 2]" 1
669 1 44 ASP QB 1 45 PRO QD 3.500 . 3.500 2.273 2.226 2.314 . 0 0 "[ . 1 . 2]" 1
670 1 44 ASP QB 1 45 PRO HG3 5.040 . 5.040 4.691 4.620 4.764 . 0 0 "[ . 1 . 2]" 1
671 1 44 ASP QB 1 45 PRO HG2 4.040 . 4.040 3.744 3.677 3.821 . 0 0 "[ . 1 . 2]" 1
672 1 44 ASP QB 1 46 ASP H 5.010 . 5.010 2.658 2.529 2.815 . 0 0 "[ . 1 . 2]" 1
673 1 44 ASP H 1 44 ASP QB 3.310 . 3.310 2.448 2.271 2.769 . 0 0 "[ . 1 . 2]" 1
674 1 44 ASP H 1 47 SER QB 4.120 . 4.120 3.015 2.682 3.264 . 0 0 "[ . 1 . 2]" 1
675 1 45 PRO HA 1 48 GLN HG3 3.610 . 3.610 2.477 2.336 3.178 . 0 0 "[ . 1 . 2]" 1
676 1 45 PRO HA 1 48 GLN HG2 3.740 . 3.740 2.721 2.372 2.941 . 0 0 "[ . 1 . 2]" 1
677 1 45 PRO HA 1 48 GLN H 4.190 . 4.190 3.678 3.575 3.782 . 0 0 "[ . 1 . 2]" 1
678 1 45 PRO HB3 1 46 ASP H 4.110 . 4.110 4.157 4.061 4.194 0.084 16 0 "[ . 1 . 2]" 1
679 1 45 PRO HB2 1 46 ASP HA 4.360 . 4.360 4.119 4.078 4.159 . 0 0 "[ . 1 . 2]" 1
680 1 45 PRO QD 1 46 ASP H 3.890 . 3.890 2.870 2.782 2.972 . 0 0 "[ . 1 . 2]" 1
681 1 45 PRO HG3 1 46 ASP H 4.090 . 4.090 4.004 3.902 4.066 . 0 0 "[ . 1 . 2]" 1
682 1 45 PRO HG2 1 46 ASP H 4.890 . 4.890 2.492 2.346 2.592 . 0 0 "[ . 1 . 2]" 1
683 1 45 PRO HG2 1 47 SER H 5.500 . 5.500 4.942 4.749 5.051 . 0 0 "[ . 1 . 2]" 1
684 1 46 ASP HA 1 46 ASP HB3 2.730 . 2.730 2.529 2.422 2.656 . 0 0 "[ . 1 . 2]" 1
685 1 46 ASP HA 1 49 ARG HB2 3.380 . 3.380 2.503 2.365 2.616 . 0 0 "[ . 1 . 2]" 1
686 1 46 ASP HA 1 49 ARG H 4.000 . 4.000 3.712 3.569 3.854 . 0 0 "[ . 1 . 2]" 1
687 1 46 ASP HB3 1 49 ARG HB2 5.500 . 5.500 4.715 4.542 4.863 . 0 0 "[ . 1 . 2]" 1
688 1 46 ASP HB2 1 47 SER H 3.290 . 3.290 2.846 2.627 2.980 . 0 0 "[ . 1 . 2]" 1
689 1 46 ASP HB2 1 49 ARG HB2 5.380 . 5.380 5.364 5.228 5.458 0.078 10 0 "[ . 1 . 2]" 1
690 1 46 ASP H 1 46 ASP HB3 3.830 . 3.830 3.569 3.513 3.604 . 0 0 "[ . 1 . 2]" 1
691 1 46 ASP H 1 46 ASP HB2 2.980 . 2.980 2.375 2.213 2.564 . 0 0 "[ . 1 . 2]" 1
692 1 46 ASP H 1 47 SER H 3.560 . 3.560 2.541 2.439 2.647 . 0 0 "[ . 1 . 2]" 1
693 1 47 SER HA 1 50 TYR H 4.250 . 4.250 3.484 3.327 3.619 . 0 0 "[ . 1 . 2]" 1
694 1 47 SER HB3 1 48 GLN H 4.080 . 4.080 2.887 2.519 3.507 . 0 0 "[ . 1 . 2]" 1
695 1 47 SER HB2 1 48 GLN H 4.080 . 4.080 3.455 2.384 3.986 . 0 0 "[ . 1 . 2]" 1
696 1 47 SER H 1 47 SER HB3 3.880 . 3.880 2.664 2.204 3.578 . 0 0 "[ . 1 . 2]" 1
697 1 47 SER H 1 47 SER HB2 3.880 . 3.880 2.790 2.290 3.556 . 0 0 "[ . 1 . 2]" 1
698 1 47 SER H 1 48 GLN HB3 5.500 . 5.500 5.636 5.398 5.740 0.240 11 0 "[ . 1 . 2]" 1
699 1 48 GLN HA 1 48 GLN HB3 2.920 . 2.920 2.320 2.290 2.438 . 0 0 "[ . 1 . 2]" 1
700 1 48 GLN HA 1 48 GLN HB2 2.980 . 2.980 2.652 2.456 2.728 . 0 0 "[ . 1 . 2]" 1
701 1 48 GLN HA 1 48 GLN HG3 3.670 . 3.670 3.641 3.594 3.717 0.047 5 0 "[ . 1 . 2]" 1
702 1 48 GLN HA 1 51 ASN HB3 4.580 . 4.580 4.291 4.087 4.497 . 0 0 "[ . 1 . 2]" 1
703 1 48 GLN HA 1 51 ASN HB2 3.650 . 3.650 2.676 2.470 2.889 . 0 0 "[ . 1 . 2]" 1
704 1 48 GLN HA 1 51 ASN QD 5.310 . 5.310 2.747 1.892 4.535 . 0 0 "[ . 1 . 2]" 1
705 1 48 GLN HA 1 51 ASN H 3.870 . 3.870 3.346 3.222 3.469 . 0 0 "[ . 1 . 2]" 1
706 1 48 GLN HB3 1 49 ARG H 5.100 . 5.100 4.121 4.015 4.168 . 0 0 "[ . 1 . 2]" 1
707 1 48 GLN HB2 1 49 ARG H 3.890 . 3.890 3.449 3.261 3.837 . 0 0 "[ . 1 . 2]" 1
708 1 48 GLN HB2 1 51 ASN HB2 5.500 . 5.500 4.580 4.223 4.871 . 0 0 "[ . 1 . 2]" 1
709 1 48 GLN HB2 1 52 ALA H 5.500 . 5.500 4.995 4.812 5.106 . 0 0 "[ . 1 . 2]" 1
710 1 48 GLN HG3 1 49 ARG HB2 4.040 . 4.040 4.003 3.853 4.095 0.055 2 0 "[ . 1 . 2]" 1
711 1 48 GLN HG3 1 49 ARG HG3 4.310 . 4.310 3.475 2.403 4.324 0.014 20 0 "[ . 1 . 2]" 1
712 1 48 GLN HG3 1 49 ARG H 4.110 . 4.110 2.040 1.885 2.104 . 0 0 "[ . 1 . 2]" 1
713 1 48 GLN QE 1 48 GLN HG2 3.370 . 3.370 2.846 2.220 3.393 0.023 4 0 "[ . 1 . 2]" 1
714 1 48 GLN H 1 48 GLN HB3 3.850 . 3.850 2.947 2.632 3.056 . 0 0 "[ . 1 . 2]" 1
715 1 48 GLN H 1 48 GLN HB2 3.630 . 3.630 3.542 3.478 3.629 . 0 0 "[ . 1 . 2]" 1
716 1 48 GLN H 1 48 GLN HG3 3.710 . 3.710 2.194 1.889 2.968 . 0 0 "[ . 1 . 2]" 1
717 1 48 GLN H 1 48 GLN HG2 3.310 . 3.310 1.989 1.795 3.192 . 0 0 "[ . 1 . 2]" 1
718 1 48 GLN H 1 49 ARG H 3.640 . 3.640 2.611 2.561 2.657 . 0 0 "[ . 1 . 2]" 1
719 1 48 GLN H 1 50 TYR H 4.620 . 4.620 4.021 3.935 4.086 . 0 0 "[ . 1 . 2]" 1
720 1 49 ARG HA 1 49 ARG HD3 5.460 . 5.460 3.791 2.295 4.632 . 0 0 "[ . 1 . 2]" 1
721 1 49 ARG HA 1 49 ARG HD2 5.460 . 5.460 3.838 2.303 4.709 . 0 0 "[ . 1 . 2]" 1
722 1 49 ARG HA 1 49 ARG QD 4.690 . 4.690 3.250 2.268 4.123 . 0 0 "[ . 1 . 2]" 1
723 1 49 ARG HA 1 49 ARG HG2 3.680 . 3.680 2.486 2.372 2.615 . 0 0 "[ . 1 . 2]" 1
724 1 49 ARG HA 1 52 ALA MB 3.510 . 3.510 2.571 2.436 2.688 . 0 0 "[ . 1 . 2]" 1
725 1 49 ARG HA 1 52 ALA H 4.170 . 4.170 3.342 3.255 3.421 . 0 0 "[ . 1 . 2]" 1
726 1 49 ARG QB 1 50 TYR H 4.490 . 4.490 2.635 2.568 2.693 . 0 0 "[ . 1 . 2]" 1
727 1 49 ARG HG2 1 52 ALA MB 5.170 . 5.170 4.348 4.046 4.604 . 0 0 "[ . 1 . 2]" 1
728 1 49 ARG H 1 49 ARG HB2 3.020 . 3.020 2.348 2.246 2.395 . 0 0 "[ . 1 . 2]" 1
729 1 49 ARG H 1 49 ARG HG3 5.500 . 5.500 2.936 2.390 3.578 . 0 0 "[ . 1 . 2]" 1
730 1 49 ARG H 1 49 ARG HG2 5.500 . 5.500 3.099 2.419 3.729 . 0 0 "[ . 1 . 2]" 1
731 1 49 ARG H 1 50 TYR H 3.470 . 3.470 2.603 2.558 2.676 . 0 0 "[ . 1 . 2]" 1
732 1 49 ARG H 1 52 ALA MB 5.470 . 5.470 4.704 4.577 4.815 . 0 0 "[ . 1 . 2]" 1
733 1 50 TYR QB 1 51 ASN H 3.270 . 3.270 2.519 2.448 2.605 . 0 0 "[ . 1 . 2]" 1
734 1 50 TYR QB 1 53 TRP H 5.500 . 5.500 4.862 4.757 4.965 . 0 0 "[ . 1 . 2]" 1
735 1 50 TYR QD 1 51 ASN H 4.440 . 4.440 3.516 3.255 3.895 . 0 0 "[ . 1 . 2]" 1
736 1 50 TYR QD 1 53 TRP QB 5.500 . 5.500 3.242 2.670 3.537 . 0 0 "[ . 1 . 2]" 1
737 1 50 TYR QD 1 53 TRP HE3 3.610 . 3.610 3.164 2.484 3.609 . 0 0 "[ . 1 . 2]" 1
738 1 50 TYR QD 1 53 TRP H 5.240 . 5.240 4.964 4.428 5.165 . 0 0 "[ . 1 . 2]" 1
739 1 50 TYR QE 1 53 TRP HE3 3.500 . 3.500 2.784 2.434 3.225 . 0 0 "[ . 1 . 2]" 1
740 1 50 TYR QE 1 53 TRP HZ3 3.500 . 3.500 2.779 2.337 3.358 . 0 0 "[ . 1 . 2]" 1
741 1 50 TYR QE 1 54 LEU MD1 4.640 . 4.640 2.685 2.278 4.925 0.285 14 0 "[ . 1 . 2]" 1
742 1 50 TYR QE 1 54 LEU HG 4.500 . 4.500 3.634 2.656 4.042 . 0 0 "[ . 1 . 2]" 1
743 1 50 TYR H 1 50 TYR QB 3.610 . 3.610 2.245 2.204 2.277 . 0 0 "[ . 1 . 2]" 1
744 1 50 TYR H 1 51 ASN QD 5.500 . 5.500 4.660 3.762 5.533 0.033 5 0 "[ . 1 . 2]" 1
745 1 50 TYR H 1 51 ASN H 3.540 . 3.540 2.687 2.638 2.729 . 0 0 "[ . 1 . 2]" 1
746 1 50 TYR H 1 52 ALA H 5.500 . 5.500 4.026 3.936 4.097 . 0 0 "[ . 1 . 2]" 1
747 1 51 ASN HA 1 54 LEU QB 4.000 . 4.000 2.883 2.558 3.062 . 0 0 "[ . 1 . 2]" 1
748 1 51 ASN HA 1 55 GLU H 5.260 . 5.260 4.410 4.121 4.513 . 0 0 "[ . 1 . 2]" 1
749 1 51 ASN HA 1 54 LEU H 3.500 . 3.500 3.473 3.397 3.520 0.020 20 0 "[ . 1 . 2]" 1
750 1 51 ASN HB3 1 52 ALA H 4.040 . 4.040 3.513 3.438 3.650 . 0 0 "[ . 1 . 2]" 1
751 1 51 ASN HB2 1 51 ASN HD21 3.390 . 3.390 2.506 2.251 3.272 . 0 0 "[ . 1 . 2]" 1
752 1 51 ASN HB2 1 51 ASN HD22 3.740 . 3.740 3.613 3.510 3.928 0.188 12 0 "[ . 1 . 2]" 1
753 1 51 ASN HB2 1 52 ALA MB 4.770 . 4.770 4.078 3.983 4.177 . 0 0 "[ . 1 . 2]" 1
754 1 51 ASN HB2 1 52 ALA H 3.830 . 3.830 2.635 2.548 2.726 . 0 0 "[ . 1 . 2]" 1
755 1 51 ASN H 1 51 ASN HB3 3.590 . 3.590 3.571 3.553 3.588 . 0 0 "[ . 1 . 2]" 1
756 1 51 ASN H 1 51 ASN HB2 3.050 . 3.050 2.365 2.299 2.456 . 0 0 "[ . 1 . 2]" 1
757 1 51 ASN H 1 51 ASN HD21 4.270 . 4.270 2.943 1.722 3.955 . 0 0 "[ . 1 . 2]" 1
758 1 51 ASN H 1 52 ALA MB 5.050 . 5.050 4.350 4.306 4.432 . 0 0 "[ . 1 . 2]" 1
759 1 51 ASN H 1 52 ALA H 3.390 . 3.390 2.660 2.630 2.734 . 0 0 "[ . 1 . 2]" 1
760 1 52 ALA HA 1 54 LEU H 4.500 . 4.500 4.223 4.171 4.294 . 0 0 "[ . 1 . 2]" 1
761 1 52 ALA HA 1 55 GLU HB3 3.680 . 3.680 2.424 2.348 2.644 . 0 0 "[ . 1 . 2]" 1
762 1 52 ALA HA 1 55 GLU HB2 3.990 . 3.990 2.837 2.365 3.016 . 0 0 "[ . 1 . 2]" 1
763 1 52 ALA HA 1 55 GLU QG 4.410 . 4.410 4.228 3.791 4.401 . 0 0 "[ . 1 . 2]" 1
764 1 52 ALA HA 1 55 GLU H 4.140 . 4.140 3.039 2.937 3.145 . 0 0 "[ . 1 . 2]" 1
765 1 52 ALA MB 1 53 TRP H 3.930 . 3.930 2.416 2.327 2.518 . 0 0 "[ . 1 . 2]" 1
766 1 52 ALA MB 1 56 LEU HG 4.900 . 4.900 3.307 3.082 3.515 . 0 0 "[ . 1 . 2]" 1
767 1 52 ALA MB 1 53 TRP HA 4.270 . 4.270 3.695 3.667 3.739 . 0 0 "[ . 1 . 2]" 1
768 1 52 ALA MB 1 55 GLU HB3 4.530 . 4.530 3.488 3.403 3.638 . 0 0 "[ . 1 . 2]" 1
769 1 52 ALA H 1 52 ALA MB 3.190 . 3.190 2.246 2.229 2.258 . 0 0 "[ . 1 . 2]" 1
770 1 52 ALA H 1 53 TRP HB3 4.900 . 4.900 4.773 4.657 4.874 . 0 0 "[ . 1 . 2]" 1
771 1 52 ALA H 1 53 TRP H 3.540 . 3.540 2.632 2.579 2.677 . 0 0 "[ . 1 . 2]" 1
772 1 52 ALA H 1 54 LEU H 5.000 . 5.000 4.089 3.985 4.128 . 0 0 "[ . 1 . 2]" 1
773 1 53 TRP HA 1 56 LEU QB 3.500 . 3.500 2.725 2.506 3.014 . 0 0 "[ . 1 . 2]" 1
774 1 53 TRP HA 1 56 LEU HG 4.500 . 4.500 2.871 2.544 3.147 . 0 0 "[ . 1 . 2]" 1
775 1 53 TRP HA 1 56 LEU H 3.500 . 3.500 3.271 3.083 3.398 . 0 0 "[ . 1 . 2]" 1
776 1 53 TRP HA 1 53 TRP HD1 3.500 . 3.500 2.757 2.585 3.019 . 0 0 "[ . 1 . 2]" 1
777 1 53 TRP HB3 1 53 TRP HE3 3.490 . 3.490 2.507 2.463 2.578 . 0 0 "[ . 1 . 2]" 1
778 1 53 TRP QB 1 54 LEU H 4.000 . 4.000 2.596 2.535 2.707 . 0 0 "[ . 1 . 2]" 1
779 1 53 TRP QB 1 56 LEU MD1 5.500 . 5.500 3.911 3.571 4.477 . 0 0 "[ . 1 . 2]" 1
780 1 53 TRP HD1 1 56 LEU MD1 5.500 . 5.500 3.146 2.616 3.682 . 0 0 "[ . 1 . 2]" 1
781 1 53 TRP HD1 1 56 LEU HG 5.500 . 5.500 4.999 4.502 5.315 . 0 0 "[ . 1 . 2]" 1
782 1 53 TRP H 1 56 LEU HB2 5.500 . 5.500 5.303 5.091 5.590 0.090 6 0 "[ . 1 . 2]" 1
783 1 53 TRP H 1 56 LEU MD1 5.500 . 5.500 4.420 4.152 4.970 . 0 0 "[ . 1 . 2]" 1
784 1 53 TRP H 1 56 LEU MD2 5.500 . 5.500 5.665 5.304 5.786 0.286 3 0 "[ . 1 . 2]" 1
785 1 53 TRP H 1 53 TRP HB3 3.430 . 3.430 2.522 2.441 2.615 . 0 0 "[ . 1 . 2]" 1
786 1 53 TRP H 1 53 TRP HB2 3.790 . 3.790 2.589 2.464 2.674 . 0 0 "[ . 1 . 2]" 1
787 1 53 TRP H 1 53 TRP HE3 5.500 . 5.500 4.791 4.644 4.951 . 0 0 "[ . 1 . 2]" 1
788 1 53 TRP H 1 54 LEU H 3.470 . 3.470 2.742 2.671 2.784 . 0 0 "[ . 1 . 2]" 1
789 1 53 TRP H 1 55 GLU H 5.000 . 5.000 4.001 3.920 4.073 . 0 0 "[ . 1 . 2]" 1
790 1 53 TRP HZ3 1 54 LEU MD2 5.500 . 5.500 2.580 2.268 3.200 . 0 0 "[ . 1 . 2]" 1
791 1 54 LEU HA 1 56 LEU H 4.990 . 4.990 4.471 4.329 4.643 . 0 0 "[ . 1 . 2]" 1
792 1 54 LEU HA 1 57 ARG QB 3.500 . 3.500 2.543 2.289 3.688 0.188 10 0 "[ . 1 . 2]" 1
793 1 54 LEU HA 1 57 ARG H 3.500 . 3.500 3.410 3.242 3.534 0.034 17 0 "[ . 1 . 2]" 1
794 1 54 LEU HA 1 58 ALA H 5.000 . 5.000 4.065 3.874 4.308 . 0 0 "[ . 1 . 2]" 1
795 1 54 LEU HA 1 54 LEU HG 4.230 . 4.230 2.832 2.564 3.650 . 0 0 "[ . 1 . 2]" 1
796 1 54 LEU HB3 1 54 LEU MD2 3.340 . 3.340 2.282 2.210 3.184 . 0 0 "[ . 1 . 2]" 1
797 1 54 LEU HB3 1 55 GLU H 4.020 . 4.020 3.529 2.593 3.648 . 0 0 "[ . 1 . 2]" 1
798 1 54 LEU HB2 1 55 GLU H 3.780 . 3.780 2.730 2.617 3.824 0.044 14 0 "[ . 1 . 2]" 1
799 1 54 LEU MD2 1 57 ARG HD3 3.370 . 3.370 2.912 2.337 3.112 . 0 0 "[ . 1 . 2]" 1
800 1 54 LEU MD2 1 57 ARG HD2 4.320 . 4.320 3.948 3.644 4.103 . 0 0 "[ . 1 . 2]" 1
801 1 54 LEU MD2 1 55 GLU H 5.500 . 5.500 4.712 4.177 4.789 . 0 0 "[ . 1 . 2]" 1
802 1 54 LEU HG 1 55 GLU H 5.210 . 5.210 4.448 4.314 5.001 . 0 0 "[ . 1 . 2]" 1
803 1 54 LEU H 1 54 LEU HB3 3.640 . 3.640 3.536 2.485 3.603 . 0 0 "[ . 1 . 2]" 1
804 1 54 LEU H 1 54 LEU HB2 3.710 . 3.710 2.392 2.312 2.468 . 0 0 "[ . 1 . 2]" 1
805 1 54 LEU H 1 54 LEU MD2 4.660 . 4.660 3.698 3.531 4.050 . 0 0 "[ . 1 . 2]" 1
806 1 54 LEU H 1 55 GLU H 3.500 . 3.500 2.561 2.523 2.585 . 0 0 "[ . 1 . 2]" 1
807 1 55 GLU HA 1 58 ALA MB 3.930 . 3.930 2.600 2.305 3.058 . 0 0 "[ . 1 . 2]" 1
808 1 55 GLU HA 1 55 GLU HB2 2.490 . 2.490 2.485 2.455 2.559 0.069 11 0 "[ . 1 . 2]" 1
809 1 55 GLU HA 1 55 GLU QG 3.400 . 3.400 2.459 2.333 2.808 . 0 0 "[ . 1 . 2]" 1
810 1 55 GLU HB3 1 56 LEU H 4.500 . 4.500 2.543 2.362 2.672 . 0 0 "[ . 1 . 2]" 1
811 1 55 GLU HB2 1 56 LEU MD2 5.500 . 5.500 4.990 4.203 5.194 . 0 0 "[ . 1 . 2]" 1
812 1 55 GLU HB2 1 56 LEU HG 5.500 . 5.500 5.119 4.863 5.250 . 0 0 "[ . 1 . 2]" 1
813 1 55 GLU HB2 1 56 LEU H 4.320 . 4.320 3.832 3.616 3.940 . 0 0 "[ . 1 . 2]" 1
814 1 55 GLU QG 1 56 LEU HA 4.220 . 4.220 3.669 3.566 3.878 . 0 0 "[ . 1 . 2]" 1
815 1 55 GLU QG 1 56 LEU H 5.340 . 5.340 3.597 3.493 3.769 . 0 0 "[ . 1 . 2]" 1
816 1 55 GLU H 1 56 LEU H 3.500 . 3.500 2.698 2.639 2.793 . 0 0 "[ . 1 . 2]" 1
817 1 55 GLU H 1 55 GLU HB3 3.090 . 3.090 2.574 2.497 2.746 . 0 0 "[ . 1 . 2]" 1
818 1 55 GLU H 1 55 GLU HB2 3.290 . 3.290 2.512 2.365 2.589 . 0 0 "[ . 1 . 2]" 1
819 1 55 GLU H 1 55 GLU QG 4.100 . 4.100 3.980 3.944 4.064 . 0 0 "[ . 1 . 2]" 1
820 1 56 LEU HA 1 56 LEU HB3 2.990 . 2.990 2.469 2.410 2.496 . 0 0 "[ . 1 . 2]" 1
821 1 56 LEU HA 1 56 LEU MD2 4.500 . 4.500 2.097 2.064 2.132 . 0 0 "[ . 1 . 2]" 1
822 1 56 LEU HA 1 56 LEU HG 3.710 . 3.710 3.164 3.062 3.462 . 0 0 "[ . 1 . 2]" 1
823 1 56 LEU HA 1 58 ALA H 4.930 . 4.930 4.437 4.326 4.597 . 0 0 "[ . 1 . 2]" 1
824 1 56 LEU HA 1 59 LYS QB 3.810 . 3.810 2.899 2.351 4.080 0.270 10 0 "[ . 1 . 2]" 1
825 1 56 LEU HA 1 59 LYS QG 4.500 . 4.500 2.862 2.240 3.406 . 0 0 "[ . 1 . 2]" 1
826 1 56 LEU HA 1 59 LYS H 4.650 . 4.650 3.428 3.266 3.684 . 0 0 "[ . 1 . 2]" 1
827 1 56 LEU HB3 1 57 ARG HA 4.370 . 4.370 4.422 4.295 4.533 0.163 8 0 "[ . 1 . 2]" 1
828 1 56 LEU HB3 1 57 ARG H 4.030 . 4.030 3.629 3.559 3.776 . 0 0 "[ . 1 . 2]" 1
829 1 56 LEU HB3 1 59 LYS H 5.500 . 5.500 5.163 5.002 5.499 . 0 0 "[ . 1 . 2]" 1
830 1 56 LEU HB2 1 57 ARG H 4.010 . 4.010 2.512 2.439 2.596 . 0 0 "[ . 1 . 2]" 1
831 1 56 LEU H 1 56 LEU HB3 3.710 . 3.710 3.604 3.589 3.621 . 0 0 "[ . 1 . 2]" 1
832 1 56 LEU H 1 56 LEU HB2 3.080 . 3.080 2.550 2.510 2.665 . 0 0 "[ . 1 . 2]" 1
833 1 56 LEU H 1 56 LEU MD2 5.000 . 5.000 3.048 2.427 3.208 . 0 0 "[ . 1 . 2]" 1
834 1 56 LEU H 1 56 LEU HG 4.690 . 4.690 2.146 2.064 2.243 . 0 0 "[ . 1 . 2]" 1
835 1 56 LEU H 1 57 ARG H 3.530 . 3.530 2.631 2.572 2.762 . 0 0 "[ . 1 . 2]" 1
836 1 57 ARG HA 1 58 ALA HA 5.500 . 5.500 4.785 4.723 4.828 . 0 0 "[ . 1 . 2]" 1
837 1 57 ARG HA 1 59 LYS H 5.060 . 5.060 4.059 3.926 4.211 . 0 0 "[ . 1 . 2]" 1
838 1 57 ARG HA 1 60 ARG H . . 4.120 3.189 2.771 3.599 . 0 0 "[ . 1 . 2]" 1
839 1 57 ARG HA 1 60 ARG QB 4.000 . 4.000 3.199 2.020 4.319 0.319 7 0 "[ . 1 . 2]" 1
840 1 57 ARG HA 1 60 ARG QD 5.500 . 5.500 3.902 2.270 5.260 . 0 0 "[ . 1 . 2]" 1
841 1 57 ARG HA 1 60 ARG QG 3.810 . 3.810 2.612 2.138 3.917 0.107 10 0 "[ . 1 . 2]" 1
842 1 57 ARG HB3 1 57 ARG HD3 3.890 . 3.890 2.592 2.468 2.650 . 0 0 "[ . 1 . 2]" 1
843 1 57 ARG HB3 1 57 ARG HD2 3.850 . 3.850 3.156 2.825 3.278 . 0 0 "[ . 1 . 2]" 1
844 1 57 ARG HB3 1 58 ALA H 4.080 . 4.080 2.692 2.468 3.789 . 0 0 "[ . 1 . 2]" 1
845 1 57 ARG HB2 1 57 ARG HD2 3.710 . 3.710 2.410 2.351 2.543 . 0 0 "[ . 1 . 2]" 1
846 1 57 ARG HB2 1 58 ALA HA 5.430 . 5.430 5.505 4.973 5.592 0.162 16 0 "[ . 1 . 2]" 1
847 1 57 ARG HB2 1 58 ALA H 3.980 . 3.980 3.925 3.822 4.118 0.138 10 0 "[ . 1 . 2]" 1
848 1 57 ARG HB2 1 59 LYS H 5.500 . 5.500 5.592 5.516 5.802 0.302 5 0 "[ . 1 . 2]" 1
849 1 57 ARG HB2 1 60 ARG HG3 5.500 . 5.500 5.065 4.464 5.890 0.390 10 0 "[ . 1 . 2]" 1
850 1 57 ARG HB2 1 60 ARG HG2 5.500 . 5.500 5.135 4.524 5.835 0.335 14 0 "[ . 1 . 2]" 1
851 1 57 ARG HD3 1 58 ALA H 5.500 . 5.500 4.778 4.626 4.895 . 0 0 "[ . 1 . 2]" 1
852 1 57 ARG HD2 1 58 ALA H 5.500 . 5.500 5.473 5.104 5.589 0.089 16 0 "[ . 1 . 2]" 1
853 1 57 ARG HG3 1 58 ALA H 4.130 . 4.130 4.183 2.999 4.406 0.276 7 0 "[ . 1 . 2]" 1
854 1 57 ARG HG3 1 59 LYS H 5.310 . 5.310 5.554 5.194 5.677 0.367 12 0 "[ . 1 . 2]" 1
855 1 57 ARG HG2 1 58 ALA H 3.760 . 3.760 3.246 2.349 3.490 . 0 0 "[ . 1 . 2]" 1
856 1 57 ARG HG2 1 59 LYS H 5.500 . 5.500 5.122 4.925 5.236 . 0 0 "[ . 1 . 2]" 1
857 1 57 ARG H 1 58 ALA H 3.500 . 3.500 2.664 2.445 2.770 . 0 0 "[ . 1 . 2]" 1
858 1 57 ARG H 1 57 ARG HB3 3.270 . 3.270 2.364 2.158 2.452 . 0 0 "[ . 1 . 2]" 1
859 1 57 ARG H 1 57 ARG HB2 3.670 . 3.670 2.752 2.571 3.616 . 0 0 "[ . 1 . 2]" 1
860 1 57 ARG H 1 57 ARG HD3 4.830 . 4.830 4.778 4.001 4.947 0.117 15 0 "[ . 1 . 2]" 1
861 1 58 ALA MB 1 59 LYS H . . 4.450 2.684 2.513 2.814 . 0 0 "[ . 1 . 2]" 1
862 1 58 ALA H 1 59 LYS QB 5.340 . 5.340 4.667 4.363 5.121 . 0 0 "[ . 1 . 2]" 1
863 1 58 ALA H 1 59 LYS HG3 5.500 . 5.500 4.860 4.287 5.657 0.157 10 0 "[ . 1 . 2]" 1
864 1 58 ALA H 1 59 LYS HG2 5.500 . 5.500 5.242 4.304 5.800 0.300 1 0 "[ . 1 . 2]" 1
865 1 58 ALA H 1 59 LYS H 3.260 . 3.260 2.596 2.521 2.779 . 0 0 "[ . 1 . 2]" 1
866 1 58 ALA H 1 61 LEU MD1 5.500 . 5.500 4.960 4.110 5.576 0.076 6 0 "[ . 1 . 2]" 1
867 1 59 LYS HA 1 59 LYS QG 3.430 . 3.430 2.561 2.247 3.450 0.020 11 0 "[ . 1 . 2]" 1
868 1 59 LYS QB 1 60 ARG H 4.470 . 4.470 2.832 2.553 3.628 . 0 0 "[ . 1 . 2]" 1
869 1 59 LYS HG3 1 60 ARG H 5.500 . 5.500 4.109 2.079 5.037 . 0 0 "[ . 1 . 2]" 1
870 1 59 LYS HG2 1 60 ARG H 5.500 . 5.500 4.468 2.664 5.038 . 0 0 "[ . 1 . 2]" 1
871 1 59 LYS H 1 59 LYS QB 3.330 . 3.330 2.424 2.246 2.688 . 0 0 "[ . 1 . 2]" 1
872 1 59 LYS H 1 59 LYS QG 4.020 . 4.020 2.393 2.208 2.897 . 0 0 "[ . 1 . 2]" 1
873 1 59 LYS H 1 60 ARG H 3.760 . 3.760 2.527 2.321 2.699 . 0 0 "[ . 1 . 2]" 1
874 1 59 LYS H 1 61 LEU MD1 5.320 . 5.320 4.719 4.113 5.159 . 0 0 "[ . 1 . 2]" 1
875 1 60 ARG HA 1 60 ARG QD 4.690 . 4.690 3.256 2.086 4.512 . 0 0 "[ . 1 . 2]" 1
876 1 60 ARG HA 1 60 ARG QG 3.650 . 3.650 2.952 2.369 3.343 . 0 0 "[ . 1 . 2]" 1
877 1 60 ARG HB3 1 61 LEU H 4.700 . 4.700 3.953 2.065 4.625 . 0 0 "[ . 1 . 2]" 1
878 1 60 ARG HB2 1 61 LEU H 4.700 . 4.700 3.529 1.825 4.640 . 0 0 "[ . 1 . 2]" 1
879 1 60 ARG QB 1 60 ARG QD 3.300 . 3.300 2.277 2.103 2.779 . 0 0 "[ . 1 . 2]" 1
880 1 60 ARG QB 1 61 LEU H 4.120 . 4.120 3.221 1.710 4.053 . 0 0 "[ . 1 . 2]" 1
881 1 60 ARG H 1 60 ARG QB 3.060 . 3.060 2.506 2.211 2.893 . 0 0 "[ . 1 . 2]" 1
882 1 60 ARG H 1 60 ARG HD3 5.500 . 5.500 4.358 3.745 5.033 . 0 0 "[ . 1 . 2]" 1
883 1 60 ARG H 1 60 ARG HD2 5.500 . 5.500 4.461 3.694 4.979 . 0 0 "[ . 1 . 2]" 1
884 1 60 ARG H 1 60 ARG QG 4.300 . 4.300 2.384 1.852 4.022 . 0 0 "[ . 1 . 2]" 1
885 1 61 LEU HB3 1 62 SER H 5.500 . 5.500 3.434 2.523 4.448 . 0 0 "[ . 1 . 2]" 1
886 1 61 LEU HB2 1 62 SER H 5.500 . 5.500 3.506 2.354 4.643 . 0 0 "[ . 1 . 2]" 1
887 1 61 LEU H 1 61 LEU QB 3.530 . 3.530 2.465 2.087 3.284 . 0 0 "[ . 1 . 2]" 1
888 1 61 LEU H 1 61 LEU HG 4.220 . 4.220 3.357 2.059 4.439 0.219 11 0 "[ . 1 . 2]" 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 58
_Distance_constraint_stats_list.Viol_count 461
_Distance_constraint_stats_list.Viol_total 618.747
_Distance_constraint_stats_list.Viol_max 0.254
_Distance_constraint_stats_list.Viol_rms 0.0465
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0267
_Distance_constraint_stats_list.Viol_average_violations_only 0.0671
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 GLU 0.114 0.028 6 0 "[ . 1 . 2]"
1 12 TYR 1.116 0.088 3 0 "[ . 1 . 2]"
1 13 ASP 0.234 0.072 16 0 "[ . 1 . 2]"
1 14 GLU 0.286 0.052 16 0 "[ . 1 . 2]"
1 15 TRP 4.379 0.245 6 0 "[ . 1 . 2]"
1 16 GLN 3.600 0.159 14 0 "[ . 1 . 2]"
1 17 ASP 2.336 0.149 17 0 "[ . 1 . 2]"
1 18 ILE 1.116 0.127 4 0 "[ . 1 . 2]"
1 19 ILE 4.265 0.245 6 0 "[ . 1 . 2]"
1 20 ARG 2.485 0.159 14 0 "[ . 1 . 2]"
1 21 ASP 2.103 0.149 17 0 "[ . 1 . 2]"
1 22 TRP 0.830 0.127 4 0 "[ . 1 . 2]"
1 28 VAL 0.445 0.112 17 0 "[ . 1 . 2]"
1 29 GLN 0.268 0.088 4 0 "[ . 1 . 2]"
1 30 GLN 0.231 0.066 18 0 "[ . 1 . 2]"
1 31 PHE 0.054 0.028 4 0 "[ . 1 . 2]"
1 32 LEU 0.856 0.112 17 0 "[ . 1 . 2]"
1 33 ASP 1.989 0.125 10 0 "[ . 1 . 2]"
1 34 LEU 0.464 0.066 18 0 "[ . 1 . 2]"
1 35 LYS 0.054 0.028 4 0 "[ . 1 . 2]"
1 36 GLU 3.431 0.207 10 0 "[ . 1 . 2]"
1 37 ARG 1.720 0.125 10 0 "[ . 1 . 2]"
1 38 ALA 0.233 0.063 11 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 3.020 0.207 10 0 "[ . 1 . 2]"
1 45 PRO 1.541 0.132 1 0 "[ . 1 . 2]"
1 46 ASP 0.187 0.047 18 0 "[ . 1 . 2]"
1 47 SER 0.596 0.075 17 0 "[ . 1 . 2]"
1 48 GLN 0.536 0.077 16 0 "[ . 1 . 2]"
1 49 ARG 1.541 0.132 1 0 "[ . 1 . 2]"
1 50 TYR 2.086 0.147 15 0 "[ . 1 . 2]"
1 51 ASN 2.952 0.158 5 0 "[ . 1 . 2]"
1 52 ALA 0.536 0.077 16 0 "[ . 1 . 2]"
1 53 TRP 0.250 0.083 10 0 "[ . 1 . 2]"
1 54 LEU 2.025 0.147 15 0 "[ . 1 . 2]"
1 55 GLU 6.386 0.254 16 0 "[ . 1 . 2]"
1 56 LEU 1.601 0.167 13 0 "[ . 1 . 2]"
1 57 ARG 0.250 0.083 10 0 "[ . 1 . 2]"
1 58 ALA 0.126 0.092 9 0 "[ . 1 . 2]"
1 59 LYS 4.030 0.254 16 0 "[ . 1 . 2]"
1 60 ARG 1.601 0.167 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLU O 1 15 TRP H 2.000 . 2.000 1.969 1.895 2.028 0.028 6 0 "[ . 1 . 2]" 2
2 1 11 GLU O 1 15 TRP N 3.000 . 3.000 2.884 2.803 2.969 . 0 0 "[ . 1 . 2]" 2
3 1 12 TYR O 1 16 GLN H 2.000 . 2.000 2.043 2.012 2.088 0.088 3 0 "[ . 1 . 2]" 2
4 1 12 TYR O 1 16 GLN N 3.000 . 3.000 3.009 2.970 3.048 0.048 3 0 "[ . 1 . 2]" 2
5 1 13 ASP O 1 17 ASP H 2.000 . 2.000 1.960 1.827 2.072 0.072 16 0 "[ . 1 . 2]" 2
6 1 13 ASP O 1 17 ASP N 3.000 . 3.000 2.846 2.719 2.972 . 0 0 "[ . 1 . 2]" 2
7 1 14 GLU O 1 18 ILE H 2.000 . 2.000 1.997 1.896 2.052 0.052 16 0 "[ . 1 . 2]" 2
8 1 14 GLU O 1 18 ILE N 3.000 . 3.000 2.854 2.777 2.938 . 0 0 "[ . 1 . 2]" 2
9 1 15 TRP O 1 19 ILE H 2.000 . 2.000 2.142 2.095 2.245 0.245 6 0 "[ . 1 . 2]" 2
10 1 15 TRP O 1 19 ILE N 3.000 . 3.000 3.071 3.018 3.172 0.172 6 0 "[ . 1 . 2]" 2
11 1 16 GLN O 1 20 ARG H 2.000 . 2.000 2.094 2.020 2.159 0.159 14 0 "[ . 1 . 2]" 2
12 1 16 GLN O 1 20 ARG N 3.000 . 3.000 3.017 2.931 3.101 0.101 11 0 "[ . 1 . 2]" 2
13 1 17 ASP O 1 21 ASP H 2.000 . 2.000 2.094 2.026 2.149 0.149 17 0 "[ . 1 . 2]" 2
14 1 17 ASP O 1 21 ASP N 3.000 . 3.000 2.990 2.924 3.066 0.066 17 0 "[ . 1 . 2]" 2
15 1 18 ILE O 1 22 TRP H 2.000 . 2.000 2.027 1.932 2.127 0.127 4 0 "[ . 1 . 2]" 2
16 1 18 ILE O 1 22 TRP N 3.000 . 3.000 2.948 2.841 3.041 0.041 7 0 "[ . 1 . 2]" 2
17 1 28 VAL O 1 32 LEU H 2.000 . 2.000 1.910 1.656 2.112 0.112 17 0 "[ . 1 . 2]" 2
18 1 28 VAL O 1 32 LEU N 3.000 . 3.000 2.856 2.625 3.051 0.051 14 0 "[ . 1 . 2]" 2
19 1 29 GLN O 1 33 ASP H 2.000 . 2.000 1.939 1.764 2.088 0.088 4 0 "[ . 1 . 2]" 2
20 1 29 GLN O 1 33 ASP N 3.000 . 3.000 2.860 2.684 3.005 0.005 17 0 "[ . 1 . 2]" 2
21 1 30 GLN O 1 34 LEU H 2.000 . 2.000 1.943 1.803 2.066 0.066 18 0 "[ . 1 . 2]" 2
22 1 30 GLN O 1 34 LEU N 3.000 . 3.000 2.836 2.715 2.981 . 0 0 "[ . 1 . 2]" 2
23 1 31 PHE O 1 35 LYS H 2.000 . 2.000 1.908 1.732 2.028 0.028 4 0 "[ . 1 . 2]" 2
24 1 31 PHE O 1 35 LYS N 3.000 . 3.000 2.865 2.701 2.980 . 0 0 "[ . 1 . 2]" 2
25 1 32 LEU O 1 36 GLU H 2.000 . 2.000 1.989 1.902 2.081 0.081 12 0 "[ . 1 . 2]" 2
26 1 32 LEU O 1 36 GLU N 3.000 . 3.000 2.917 2.815 3.025 0.025 7 0 "[ . 1 . 2]" 2
27 1 33 ASP O 1 37 ARG H 2.000 . 2.000 2.062 2.012 2.125 0.125 10 0 "[ . 1 . 2]" 2
28 1 33 ASP O 1 37 ARG N 3.000 . 3.000 3.020 2.973 3.096 0.096 10 0 "[ . 1 . 2]" 2
29 1 34 LEU O 1 38 ALA H 2.000 . 2.000 1.965 1.801 2.063 0.063 11 0 "[ . 1 . 2]" 2
30 1 34 LEU O 1 38 ALA N 3.000 . 3.000 2.915 2.761 3.008 0.008 11 0 "[ . 1 . 2]" 2
31 1 35 LYS O 1 39 LEU H 2.000 . 2.000 1.718 1.658 1.880 . 0 0 "[ . 1 . 2]" 2
32 1 35 LYS O 1 39 LEU N 3.000 . 3.000 2.670 2.607 2.812 . 0 0 "[ . 1 . 2]" 2
33 1 36 GLU O 1 40 SER H 2.000 . 2.000 2.151 2.123 2.207 0.207 10 0 "[ . 1 . 2]" 2
34 1 36 GLU O 1 40 SER N 3.000 . 3.000 2.859 2.818 2.938 . 0 0 "[ . 1 . 2]" 2
35 1 45 PRO O 1 49 ARG H 2.000 . 2.000 2.070 2.014 2.132 0.132 1 0 "[ . 1 . 2]" 2
36 1 45 PRO O 1 49 ARG N 3.000 . 3.000 2.970 2.898 3.046 0.046 5 0 "[ . 1 . 2]" 2
37 1 46 ASP O 1 50 TYR H 2.000 . 2.000 1.984 1.898 2.047 0.047 18 0 "[ . 1 . 2]" 2
38 1 46 ASP O 1 50 TYR N 3.000 . 3.000 2.810 2.746 2.885 . 0 0 "[ . 1 . 2]" 2
39 1 47 SER O 1 51 ASN H 2.000 . 2.000 2.008 1.912 2.075 0.075 17 0 "[ . 1 . 2]" 2
40 1 47 SER O 1 51 ASN N 3.000 . 3.000 2.946 2.867 3.028 0.028 17 0 "[ . 1 . 2]" 2
41 1 48 GLN O 1 52 ALA H 2.000 . 2.000 2.007 1.895 2.077 0.077 16 0 "[ . 1 . 2]" 2
42 1 48 GLN O 1 52 ALA N 3.000 . 3.000 2.926 2.803 3.011 0.011 16 0 "[ . 1 . 2]" 2
43 1 49 ARG O 1 53 TRP H 2.000 . 2.000 1.801 1.743 1.863 . 0 0 "[ . 1 . 2]" 2
44 1 49 ARG O 1 53 TRP N 3.000 . 3.000 2.717 2.666 2.777 . 0 0 "[ . 1 . 2]" 2
45 1 50 TYR O 1 54 LEU H 2.000 . 2.000 2.076 1.822 2.147 0.147 15 0 "[ . 1 . 2]" 2
46 1 50 TYR O 1 54 LEU N 3.000 . 3.000 2.986 2.754 3.059 0.059 15 0 "[ . 1 . 2]" 2
47 1 51 ASN O 1 55 GLU H 2.000 . 2.000 2.099 1.951 2.158 0.158 5 0 "[ . 1 . 2]" 2
48 1 51 ASN O 1 55 GLU N 3.000 . 3.000 2.982 2.804 3.059 0.059 16 0 "[ . 1 . 2]" 2
49 1 52 ALA O 1 56 LEU H 2.000 . 2.000 1.730 1.656 1.795 . 0 0 "[ . 1 . 2]" 2
50 1 52 ALA O 1 56 LEU N 3.000 . 3.000 2.660 2.598 2.730 . 0 0 "[ . 1 . 2]" 2
51 1 53 TRP O 1 57 ARG H 2.000 . 2.000 1.933 1.829 2.083 0.083 10 0 "[ . 1 . 2]" 2
52 1 53 TRP O 1 57 ARG N 3.000 . 3.000 2.862 2.757 3.034 0.034 10 0 "[ . 1 . 2]" 2
53 1 54 LEU O 1 58 ALA H 2.000 . 2.000 1.917 1.796 2.092 0.092 9 0 "[ . 1 . 2]" 2
54 1 54 LEU O 1 58 ALA N 3.000 . 3.000 2.823 2.708 2.995 . 0 0 "[ . 1 . 2]" 2
55 1 55 GLU O 1 59 LYS H 2.000 . 2.000 2.169 2.051 2.254 0.254 16 0 "[ . 1 . 2]" 2
56 1 55 GLU O 1 59 LYS N 3.000 . 3.000 3.006 2.863 3.106 0.106 4 0 "[ . 1 . 2]" 2
57 1 56 LEU O 1 60 ARG H 2.000 . 2.000 2.059 1.902 2.167 0.167 13 0 "[ . 1 . 2]" 2
58 1 56 LEU O 1 60 ARG N 3.000 . 3.000 2.936 2.771 3.068 0.068 13 0 "[ . 1 . 2]" 2
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