NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394412 |
1r6p   |
5975 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r6p
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 1029
_Distance_constraint_stats_list.Viol_count 1886
_Distance_constraint_stats_list.Viol_total 2761.176
_Distance_constraint_stats_list.Viol_max 0.187
_Distance_constraint_stats_list.Viol_rms 0.0099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0366
_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 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 ASP 0.573 0.092 15 0 "[ . 1 . 2 . 3 . 4]"
1 4 ILE 2.554 0.092 15 0 "[ . 1 . 2 . 3 . 4]"
1 5 TYR 2.322 0.086 33 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 0.023 0.011 4 0 "[ . 1 . 2 . 3 . 4]"
1 7 ALA 0.259 0.043 13 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 2.589 0.099 33 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 2.349 0.099 33 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 1.721 0.075 1 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLN 2.992 0.081 5 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 1.571 0.082 11 0 "[ . 1 . 2 . 3 . 4]"
1 13 THR 2.017 0.079 16 0 "[ . 1 . 2 . 3 . 4]"
1 14 ASP 0.961 0.056 16 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 1.152 0.079 16 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 1.581 0.096 5 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.684 0.089 17 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 2.491 0.096 5 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.587 0.089 17 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 0.854 0.105 40 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 1.101 0.084 14 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 1.331 0.099 17 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 1.959 0.075 15 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.687 0.094 30 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 3.264 0.099 17 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 1.328 0.057 40 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.113 0.074 4 0 "[ . 1 . 2 . 3 . 4]"
1 28 ILE 1.790 0.096 30 0 "[ . 1 . 2 . 3 . 4]"
1 29 GLN 0.128 0.080 11 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 0.001 0.001 35 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 2.844 0.096 30 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLU 1.308 0.073 11 0 "[ . 1 . 2 . 3 . 4]"
1 33 ASP 1.887 0.102 29 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 2.404 0.102 29 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 2.305 0.070 40 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 0.179 0.046 16 0 "[ . 1 . 2 . 3 . 4]"
1 39 LYS 0.577 0.056 32 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLU 0.120 0.035 21 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.523 0.056 32 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 LYS 0.495 0.097 34 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 3.183 0.134 25 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 0.729 0.053 15 0 "[ . 1 . 2 . 3 . 4]"
1 46 ARG 2.058 0.065 28 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 0.701 0.053 15 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 2.091 0.086 2 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 2.089 0.086 2 0 "[ . 1 . 2 . 3 . 4]"
1 51 ASN 0.054 0.015 27 0 "[ . 1 . 2 . 3 . 4]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 8.233 0.104 35 0 "[ . 1 . 2 . 3 . 4]"
1 54 PRO 6.737 0.104 35 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLU 0.119 0.043 36 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 2.184 0.097 12 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 2.635 0.079 35 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLN 1.554 0.061 9 0 "[ . 1 . 2 . 3 . 4]"
1 59 GLU 1.079 0.078 17 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 2.508 0.086 38 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 2.555 0.086 38 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 0.294 0.056 9 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 1.232 0.078 17 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 0.846 0.187 9 0 "[ . 1 . 2 . 3 . 4]"
1 65 ASP 1.485 0.091 39 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 0.073 0.031 27 0 "[ . 1 . 2 . 3 . 4]"
1 67 ASP 2.100 0.092 27 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLY 1.792 0.069 33 0 "[ . 1 . 2 . 3 . 4]"
1 69 SER 3.892 0.092 27 0 "[ . 1 . 2 . 3 . 4]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 THR 1.209 0.071 40 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 1.863 0.077 36 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 2.324 0.077 36 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 0.062 0.046 30 0 "[ . 1 . 2 . 3 . 4]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 1.263 0.052 30 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 8.345 0.184 11 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 0.499 0.052 33 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 1.460 0.108 39 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 1.334 0.187 9 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 1.552 0.105 40 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 1.659 0.074 24 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 2.055 0.086 33 0 "[ . 1 . 2 . 3 . 4]"
1 84 CYS 0.026 0.026 23 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.098 0.053 12 0 "[ . 1 . 2 . 3 . 4]"
1 86 LYS 0.391 0.075 14 0 "[ . 1 . 2 . 3 . 4]"
1 87 ASP 0.304 0.075 14 0 "[ . 1 . 2 . 3 . 4]"
1 88 ASP 0.109 0.046 35 0 "[ . 1 . 2 . 3 . 4]"
1 89 SER 0.109 0.046 35 0 "[ . 1 . 2 . 3 . 4]"
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 ASN HA 1 3 ASP H 2.163 . 3.226 2.615 2.148 3.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 2 ASN HA 1 4 ILE H 3.001 . 4.402 3.327 3.045 4.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 2 ASN HA 1 5 TYR QD 3.400 . 5.000 3.721 2.224 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 ASN HA 1 5 TYR QE 5.000 . 5.000 3.901 2.486 4.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 2 ASN QB 1 4 ILE H 3.178 . 5.200 4.275 2.497 4.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 2 ASN QB 1 5 TYR QD 3.400 . 5.800 2.701 1.832 4.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 2 ASN QB 1 5 TYR QE 5.000 . 5.600 3.093 1.859 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 2 ASN HB2 1 2 ASN HD21 3.400 . 5.000 2.993 2.344 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 2 ASN HB2 1 2 ASN HD22 3.400 . 5.000 3.834 3.549 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 2 ASN HB2 1 3 ASP H 2.758 . 4.816 4.398 4.015 4.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 2 ASN HB3 1 2 ASN HD21 3.400 . 5.000 3.161 2.306 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 2 ASN HB3 1 3 ASP H 2.758 . 4.816 4.306 3.169 4.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 2 ASN QD 1 3 ASP H 2.976 . 4.999 4.366 3.319 4.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 3 ASP H 1 3 ASP HA 2.408 . 3.116 2.922 2.826 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 3 ASP H 1 3 ASP QB 2.341 . 2.982 2.463 2.279 2.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 3 ASP H 1 4 ILE H 2.591 . 3.482 2.440 2.123 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 3 ASP HA 1 4 ILE H 2.578 . 3.456 3.339 2.926 3.548 0.092 15 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 3 ASP HA 1 5 TYR H 2.890 . 4.280 3.821 3.464 4.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 3 ASP QB 1 7 ALA H 3.083 . 5.500 4.544 3.907 4.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 4 ILE H 1 4 ILE HA 2.406 . 3.112 2.832 2.766 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 4 ILE H 1 4 ILE MD 2.761 . 3.822 2.012 1.680 2.395 0.020 7 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 4 ILE H 1 4 ILE HG12 2.471 . 4.042 3.194 3.013 3.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 4 ILE H 1 4 ILE HG13 2.471 . 4.042 2.704 1.901 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 4 ILE H 1 5 TYR H 2.413 . 3.126 2.623 2.235 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 4 ILE H 1 5 TYR QD 3.192 . 4.684 3.809 3.377 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 4 ILE HA 1 5 TYR H 2.579 . 3.458 3.506 3.473 3.525 0.067 5 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 4 ILE HA 1 7 ALA H 2.852 . 4.004 3.275 2.987 3.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 4 ILE HA 1 7 ALA MB 5.000 . 5.000 2.452 2.007 3.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 4 ILE HB 1 5 TYR H 2.385 . 4.270 3.916 3.797 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 4 ILE HB 1 5 TYR QD 3.400 . 6.000 5.085 4.543 5.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 4 ILE MD 1 5 TYR H 2.437 . 3.574 2.363 1.969 2.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 4 ILE MD 1 6 LYS H 3.033 . 5.700 4.233 4.032 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 4 ILE MD 1 5 TYR QD 5.000 . 5.000 2.576 1.865 3.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 4 ILE MD 1 5 TYR QE 5.000 . 5.000 2.630 2.202 3.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 4 ILE QG 1 5 TYR H 2.667 . 3.634 2.192 2.006 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 4 ILE QG 1 5 TYR QE 5.000 . 5.000 3.248 2.984 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 4 ILE QG 1 6 LYS H 2.850 . 5.400 4.536 4.266 4.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 5 TYR H 1 5 TYR HA 2.410 . 3.120 2.850 2.791 2.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 5 TYR H 1 5 TYR HB2 2.473 . 3.646 2.484 2.305 2.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 5 TYR H 1 5 TYR HB3 2.473 . 3.646 3.610 3.565 3.652 0.006 32 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 5 TYR H 1 5 TYR QD 2.353 . 3.206 2.316 1.930 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 5 TYR H 1 5 TYR QE 2.837 . 4.774 4.193 3.934 4.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 5 TYR H 1 6 LYS H 2.388 . 3.076 2.581 2.377 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 5 TYR HA 1 5 TYR QD 2.800 . 5.000 2.766 2.455 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 5 TYR HA 1 5 TYR QE 3.400 . 5.100 4.529 4.409 4.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 5 TYR HA 1 8 ALA H 2.755 . 4.010 3.764 3.220 4.027 0.017 30 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 5 TYR HA 1 82 VAL QG 5.000 . 5.400 2.768 1.899 3.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 5 TYR HB2 1 5 TYR QD 2.800 . 3.600 2.405 2.291 2.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 5 TYR HB2 1 6 LYS H 2.870 . 4.440 2.677 2.404 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 5 TYR HB3 1 5 TYR QD 2.800 . 3.600 2.454 2.304 2.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 5 TYR HB3 1 6 LYS H 2.870 . 4.440 3.668 3.237 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 5 TYR QD 1 6 LYS H 2.889 . 4.878 4.061 3.851 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 5 TYR QD 1 79 VAL QG 3.400 . 5.000 3.221 2.602 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 5 TYR QD 1 82 VAL HB 5.000 . 5.000 3.699 2.412 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 5 TYR QD 1 82 VAL QG 5.000 . 5.200 2.333 1.822 3.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 5 TYR QD 1 83 ARG HA 5.000 . 5.000 3.385 2.041 4.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 5 TYR QD 1 83 ARG QG 5.000 . 5.200 2.842 1.988 4.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 5 TYR QD 1 87 ASP QB 5.000 . 5.600 4.410 3.883 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 5 TYR QE 1 83 ARG HA 3.400 . 3.500 2.224 1.714 3.107 0.086 33 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 5 TYR QE 1 83 ARG HG2 5.000 . 5.400 3.028 1.927 4.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 5 TYR QE 1 83 ARG HG3 5.000 . 5.400 4.479 3.151 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 5 TYR QE 1 86 LYS QD 5.000 . 5.000 3.797 2.108 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 6 LYS H 1 6 LYS HA 2.405 . 3.110 2.878 2.822 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 6 LYS H 1 6 LYS QB 2.199 . 2.698 2.243 2.085 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 6 LYS H 1 6 LYS QE 3.143 . 4.586 3.722 2.265 4.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 6 LYS HA 1 6 LYS QD 5.000 . 5.000 3.449 2.052 4.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 6 LYS HA 1 8 ALA H 3.275 . 4.850 4.067 3.758 4.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 6 LYS HA 1 10 GLU H 2.993 . 4.286 4.212 4.015 4.297 0.011 4 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 6 LYS QB 1 8 ALA H 3.312 . 5.500 4.752 4.581 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 7 ALA H 1 7 ALA HA 2.404 . 3.108 2.845 2.781 2.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 7 ALA H 1 7 ALA MB 2.183 . 2.666 2.225 2.177 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 7 ALA H 1 8 ALA H 2.458 . 3.216 2.599 2.492 2.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 7 ALA H 1 9 VAL H 2.931 . 4.562 4.268 4.136 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 7 ALA HA 1 10 GLU H 2.583 . 3.767 3.685 3.373 3.810 0.043 13 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 7 ALA MB 1 8 ALA H 2.438 . 3.576 2.756 2.576 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 7 ALA MB 1 11 GLN HE21 5.000 . 5.000 3.421 2.750 4.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 7 ALA MB 1 11 GLN HE22 5.000 . 5.000 3.501 2.717 4.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 8 ALA H 1 8 ALA HA 2.404 . 3.108 2.889 2.857 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 8 ALA H 1 8 ALA MB 2.270 . 2.840 2.257 2.154 2.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 8 ALA H 1 9 VAL H 2.481 . 3.262 2.508 2.404 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 8 ALA H 1 9 VAL HB 3.060 . 4.820 4.824 4.625 4.919 0.099 33 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 8 ALA H 1 10 GLU H 2.960 . 4.220 3.778 3.671 3.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 8 ALA H 1 82 VAL QG 2.910 . 5.400 3.905 3.575 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 8 ALA HA 1 11 GLN H 2.538 . 3.376 3.410 3.359 3.457 0.081 5 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 8 ALA HA 1 11 GLN QE 5.000 . 5.000 2.964 2.004 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 8 ALA MB 1 9 VAL H 2.315 . 2.930 2.456 2.390 2.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 8 ALA MB 1 11 GLN H 2.467 . 5.300 4.440 4.375 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 9 VAL H 1 9 VAL HA 2.411 . 3.122 2.840 2.817 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 9 VAL H 1 9 VAL HB 2.106 . 2.512 2.472 2.428 2.512 0.000 39 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 9 VAL H 1 9 VAL QG 2.121 . 2.942 2.185 2.076 2.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 9 VAL H 1 10 GLU H 2.426 . 3.152 2.621 2.493 2.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 9 VAL H 1 11 GLN H 2.789 . 4.078 4.090 3.965 4.144 0.066 36 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 9 VAL H 1 82 VAL QG 2.587 . 4.874 3.409 2.851 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 9 VAL HA 1 9 VAL MG1 3.400 . 3.900 3.181 2.350 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 9 VAL HA 1 9 VAL MG2 3.400 . 3.700 2.228 2.165 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 9 VAL HA 1 10 GLU H 2.777 . 3.854 3.484 3.455 3.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 9 VAL HA 1 11 GLN H 2.963 . 4.226 3.953 3.726 4.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 9 VAL HA 1 12 LEU H 2.551 . 3.602 3.582 3.390 3.684 0.082 11 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 9 VAL QG 1 10 GLU H 2.550 . 4.500 2.410 2.278 3.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 9 VAL QG 1 10 GLU HA 5.000 . 5.000 3.095 3.038 3.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 10 GLU H 1 10 GLU HA 2.405 . 3.110 2.894 2.870 2.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 10 GLU H 1 10 GLU QB 2.257 . 2.814 2.407 2.153 2.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 10 GLU H 1 10 GLU QG 2.541 . 3.782 2.501 2.105 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 10 GLU H 1 11 GLN H 2.451 . 3.202 2.445 2.405 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 10 GLU H 1 11 GLN HA 3.037 . 5.100 5.116 5.089 5.146 0.046 20 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 10 GLU H 1 12 LEU H 2.942 . 4.184 4.126 3.983 4.239 0.055 12 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 10 GLU HA 1 10 GLU HG3 3.400 . 5.000 3.328 2.372 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 10 GLU HA 1 11 GLN H 2.651 . 3.602 3.465 3.412 3.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 10 GLU HA 1 12 LEU H 2.780 . 4.160 4.131 3.724 4.235 0.075 1 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 10 GLU QB 1 11 GLN H 2.542 . 4.184 3.461 3.042 3.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 11 GLN H 1 11 GLN HA 2.406 . 3.112 2.956 2.912 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 11 GLN H 1 11 GLN QB 2.473 . 3.646 2.934 2.701 3.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 11 GLN H 1 11 GLN QG 2.381 . 3.062 2.119 1.957 2.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 11 GLN H 1 12 LEU QD 2.930 . 5.200 3.888 3.847 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 11 GLN HA 1 11 GLN QB 2.800 . 2.800 2.188 2.177 2.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 11 GLN HA 1 12 LEU H 2.535 . 3.370 3.067 2.895 3.440 0.070 13 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 11 GLN QG 1 12 LEU H 2.821 . 4.042 3.482 2.908 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 12 LEU H 1 12 LEU HA 2.405 . 3.110 2.874 2.728 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 12 LEU H 1 12 LEU HB2 2.442 . 3.584 3.472 2.370 3.618 0.034 12 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 12 LEU H 1 12 LEU HB3 2.442 . 3.584 3.077 2.657 3.612 0.028 4 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 12 LEU H 1 12 LEU QD 2.437 . 3.974 2.181 1.956 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 12 LEU H 1 12 LEU HG 2.185 . 3.070 2.058 1.949 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 12 LEU H 1 13 THR H 3.350 . 5.000 4.589 4.535 4.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 12 LEU HA 1 13 THR H 2.683 . 3.666 2.520 2.181 2.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 12 LEU HA 1 13 THR HA 3.400 . 4.400 4.379 4.346 4.424 0.024 12 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 12 LEU QB 1 13 THR H 3.350 . 5.000 2.131 1.926 2.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 12 LEU QD 1 17 LYS H 2.427 . 5.000 3.434 2.982 3.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 12 LEU MD1 1 13 THR H 3.350 . 5.300 3.396 2.861 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 12 LEU MD2 1 13 THR H 3.350 . 5.300 3.917 3.008 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 12 LEU MD2 1 16 GLN HE21 5.000 . 5.000 3.142 2.178 4.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 12 LEU MD2 1 16 GLN HE22 5.000 . 5.000 3.414 1.919 4.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 13 THR H 1 13 THR HB 3.350 . 5.000 3.461 3.428 3.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 13 THR H 1 13 THR HG1 3.350 . 5.000 2.520 2.174 2.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 13 THR H 1 13 THR MG 2.769 . 4.038 3.279 3.082 3.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 13 THR H 1 15 GLU H 3.092 . 5.000 4.987 4.694 5.079 0.079 16 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 13 THR H 1 16 GLN H 3.350 . 5.000 3.715 3.337 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 13 THR H 1 16 GLN QG 3.074 . 4.448 3.928 3.304 4.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 13 THR H 1 17 LYS H 3.350 . 5.000 4.654 3.938 5.014 0.014 14 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 13 THR H 1 17 LYS QG 2.467 . 5.400 4.733 4.383 4.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 13 THR HA 1 13 THR HB 2.800 . 2.800 2.728 2.703 2.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 13 THR HA 1 13 THR MG 2.800 . 2.800 2.051 1.935 2.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 13 THR HA 1 14 ASP H 2.159 . 2.618 2.426 2.364 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 13 THR HA 1 15 GLU H 2.812 . 4.224 4.189 4.094 4.254 0.030 5 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 13 THR HB 1 14 ASP H 2.244 . 2.788 2.424 2.272 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 13 THR HB 1 15 GLU H 2.410 . 3.120 2.187 2.108 2.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 13 THR HB 1 16 GLN H 2.701 . 3.702 2.911 2.649 3.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 13 THR HG1 1 14 ASP H 2.883 . 4.266 4.274 4.155 4.322 0.056 16 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 13 THR HG1 1 15 GLU H 2.669 . 3.638 3.541 3.262 3.645 0.007 17 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 13 THR HG1 1 16 GLN H 2.309 . 2.918 2.401 2.129 2.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 13 THR MG 1 14 ASP H 2.558 . 3.616 2.933 2.830 3.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 13 THR MG 1 15 GLU H 2.786 . 4.372 3.688 3.666 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 14 ASP H 1 14 ASP HA 2.406 . 3.112 2.863 2.832 2.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 14 ASP H 1 14 ASP QB 2.248 . 2.796 2.283 2.140 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 14 ASP H 1 15 GLU H 2.450 . 3.200 2.480 2.420 2.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 14 ASP H 1 15 GLU QB 3.069 . 5.000 4.434 4.278 4.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 14 ASP H 1 16 GLN H 2.997 . 4.294 4.035 3.912 4.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 14 ASP HA 1 15 GLU H 2.748 . 3.796 3.509 3.493 3.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 14 ASP HA 1 17 LYS H 2.526 . 3.552 3.393 3.151 3.594 0.042 8 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 14 ASP HA 1 17 LYS QG 5.000 . 5.000 3.397 2.146 4.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 14 ASP QB 1 15 GLU H 2.395 . 3.090 2.769 2.699 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 14 ASP QB 1 16 GLN H 2.457 . 5.300 4.683 4.576 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 14 ASP QB 1 18 ASN QD 5.000 . 5.000 3.253 2.609 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 15 GLU H 1 15 GLU HA 2.404 . 3.108 2.846 2.800 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 15 GLU H 1 15 GLU HB2 2.448 . 3.596 2.778 2.187 3.604 0.008 4 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 15 GLU H 1 15 GLU HB3 2.448 . 3.596 3.140 2.412 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 15 GLU H 1 15 GLU QG 2.641 . 3.582 2.577 2.173 3.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 15 GLU H 1 16 GLN H 2.472 . 3.244 2.578 2.468 2.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 15 GLU H 1 18 ASN QB 5.000 . 5.600 4.818 4.371 5.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 15 GLU HA 1 16 GLN H 2.677 . 3.654 3.520 3.484 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 15 GLU HA 1 18 ASN H 2.667 . 3.634 3.461 3.233 3.678 0.044 4 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 15 GLU HA 1 18 ASN QD 5.000 . 5.000 3.230 2.063 4.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 15 GLU HA 1 19 GLU H 3.014 . 4.328 4.064 3.811 4.334 0.006 37 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 15 GLU QB 1 16 GLN H 2.495 . 3.890 3.054 2.626 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 16 GLN H 1 16 GLN HA 2.407 . 3.114 2.851 2.811 2.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 16 GLN H 1 16 GLN QB 2.457 . 3.214 2.165 2.067 2.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 16 GLN H 1 16 GLN QE 3.054 . 5.200 4.582 3.379 4.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 16 GLN H 1 16 GLN QG 2.198 . 4.696 3.558 2.707 4.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 16 GLN H 1 17 LYS H 2.369 . 3.038 2.596 2.462 2.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 16 GLN H 1 18 ASN H 2.829 . 3.958 3.970 3.798 4.054 0.096 5 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 16 GLN HA 1 16 GLN QG 3.400 . 5.000 2.161 1.959 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 16 GLN HA 1 17 LYS H 2.643 . 3.586 3.552 3.524 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 16 GLN HA 1 19 GLU H 2.692 . 3.684 3.422 3.122 3.701 0.017 8 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 16 GLN HA 1 20 PHE H 2.854 . 5.000 4.589 3.695 5.048 0.048 13 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 16 GLN HE21 1 16 GLN HG2 3.400 . 4.300 2.929 2.300 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 16 GLN HE21 1 16 GLN HG3 2.800 . 4.400 3.319 2.308 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 16 GLN HE22 1 16 GLN HG2 3.400 . 4.300 3.799 3.526 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 16 GLN HE22 1 16 GLN HG3 3.400 . 4.300 3.980 3.533 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 16 GLN QG 1 17 LYS H 2.395 . 4.890 4.189 3.493 4.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 16 GLN QG 1 20 PHE QE 5.000 . 5.000 3.940 3.594 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 17 LYS H 1 17 LYS HA 2.414 . 3.128 2.840 2.794 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 17 LYS H 1 17 LYS QB 2.200 . 3.100 2.472 2.334 2.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 17 LYS H 1 17 LYS QD 2.351 . 3.702 3.221 2.883 3.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 17 LYS H 1 17 LYS QG 2.427 . 3.554 2.182 1.788 2.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 17 LYS H 1 19 GLU H 2.730 . 4.060 3.990 3.779 4.149 0.089 17 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 17 LYS HA 1 17 LYS QD 5.000 . 5.000 3.573 1.847 4.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 17 LYS HA 1 18 ASN H 2.815 . 3.930 3.533 3.370 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 17 LYS HA 1 19 GLU H 3.187 . 4.674 4.283 4.079 4.713 0.039 14 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 17 LYS HA 1 20 PHE H 3.004 . 5.000 3.944 3.487 4.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 17 LYS HA 1 74 PHE HZ 5.000 . 5.000 2.742 1.969 3.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 17 LYS QB 1 18 ASN H 2.419 . 4.138 2.683 2.399 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 17 LYS QG 1 74 PHE QE 5.000 . 5.000 3.744 2.876 4.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 18 ASN H 1 18 ASN HA 2.407 . 3.114 2.866 2.828 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 18 ASN H 1 18 ASN HB2 2.490 . 3.680 2.289 2.184 2.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 18 ASN H 1 18 ASN HB3 2.490 . 3.680 3.556 3.478 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 18 ASN H 1 19 GLU H 2.294 . 2.888 2.514 1.937 2.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 18 ASN H 1 21 LYS QB 3.044 . 4.888 4.281 4.079 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 18 ASN HA 1 18 ASN HB3 2.800 . 3.400 2.619 2.563 2.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 18 ASN HA 1 19 GLU H 2.777 . 3.855 3.516 3.476 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 18 ASN HA 1 21 LYS H 2.461 . 3.422 3.441 3.250 3.506 0.084 14 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 18 ASN HA 1 21 LYS QB 5.000 . 5.000 2.144 2.009 2.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 18 ASN HA 1 22 ALA H 3.095 . 4.490 3.470 3.127 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 18 ASN HA 1 74 PHE HZ 5.000 . 5.000 4.363 3.980 4.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 18 ASN HB2 1 19 GLU H 2.641 . 4.282 2.988 2.841 3.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 18 ASN HB3 1 19 GLU H 2.641 . 4.282 3.621 3.426 3.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 19 GLU H 1 19 GLU HA 2.405 . 3.110 2.797 2.773 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 19 GLU H 1 19 GLU HB2 2.390 . 3.680 2.483 2.324 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 19 GLU H 1 19 GLU HB3 2.390 . 3.680 2.861 2.613 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 19 GLU H 1 19 GLU HG2 2.666 . 4.832 4.185 2.313 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 19 GLU H 1 19 GLU HG3 2.666 . 4.832 4.016 2.141 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 19 GLU H 1 20 PHE H 2.285 . 2.870 2.828 2.708 2.882 0.012 29 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 19 GLU H 1 21 LYS H 3.109 . 4.518 4.099 3.802 4.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 19 GLU H 1 22 ALA MB 3.149 . 6.000 4.921 4.782 5.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 19 GLU HA 1 19 GLU QG 2.800 . 2.800 2.385 2.178 2.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 19 GLU QB 1 20 PHE H 2.433 . 3.566 2.330 2.161 2.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 19 GLU QB 1 20 PHE QD 5.000 . 5.000 2.733 2.507 3.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 19 GLU QB 1 20 PHE QE 5.000 . 5.000 3.888 3.537 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 19 GLU QG 1 20 PHE H 2.862 . 4.024 3.594 3.492 3.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 19 GLU QG 1 20 PHE QD 5.000 . 5.000 3.875 3.447 4.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 20 PHE H 1 20 PHE HA 2.407 . 3.114 2.901 2.872 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 20 PHE H 1 20 PHE QB 2.262 . 2.824 2.245 2.222 2.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 20 PHE H 1 20 PHE QD 2.386 . 3.072 2.581 2.359 2.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 20 PHE H 1 21 LYS H 2.386 . 3.072 2.453 2.334 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 20 PHE H 1 22 ALA H 3.006 . 4.312 4.021 3.919 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 20 PHE H 1 78 LEU QD 3.004 . 4.508 3.365 3.320 3.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 20 PHE HA 1 20 PHE QD 2.800 . 3.400 2.856 2.701 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 20 PHE HA 1 20 PHE QE 3.400 . 5.000 4.449 4.410 4.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 20 PHE HA 1 21 LYS H 2.821 . 3.942 3.565 3.551 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 20 PHE HA 1 23 ALA H 2.831 . 3.962 3.572 3.481 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 20 PHE HA 1 23 ALA MB 5.000 . 5.000 3.160 2.931 3.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 20 PHE HA 1 77 PHE QE 5.000 . 5.000 3.165 3.011 3.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 20 PHE QB 1 21 LYS H 2.479 . 3.258 2.575 2.465 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 20 PHE QB 1 24 PHE QD 5.000 . 5.000 3.922 3.505 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 20 PHE QB 1 77 PHE QD 5.000 . 5.000 2.044 1.886 2.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 20 PHE QB 1 77 PHE QE 3.400 . 3.800 3.041 3.024 3.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 20 PHE HB2 1 20 PHE QD 2.800 . 2.800 2.411 2.359 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 20 PHE HB2 1 20 PHE QE 5.000 . 5.000 4.442 4.420 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 20 PHE HB2 1 74 PHE QE 3.400 . 3.400 2.607 2.344 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 20 PHE HB2 1 74 PHE HZ 3.400 . 5.000 3.644 2.992 3.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 20 PHE HB2 1 78 LEU QD 3.400 . 5.000 1.818 1.748 1.970 0.052 33 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 20 PHE HB3 1 20 PHE QD 2.800 . 2.800 2.419 2.359 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 20 PHE HB3 1 20 PHE QE 5.000 . 5.000 4.442 4.427 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 20 PHE HB3 1 74 PHE QE 3.400 . 3.400 2.551 2.261 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 20 PHE HB3 1 74 PHE HZ 5.000 . 5.000 4.577 4.093 4.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 20 PHE HB3 1 78 LEU QD 3.400 . 5.000 2.481 2.396 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 20 PHE QD 1 23 ALA MB 5.000 . 5.600 4.169 3.990 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 20 PHE QD 1 44 VAL QG 5.000 . 5.400 3.568 3.126 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 20 PHE QD 1 48 LEU QD 5.000 . 5.000 3.084 2.607 3.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 20 PHE QD 1 77 PHE QB 5.000 . 5.000 3.480 3.299 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 20 PHE QD 1 81 MET QB 2.800 . 5.800 3.937 3.649 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 20 PHE QD 1 81 MET ME 5.000 . 5.300 3.560 2.380 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 20 PHE QE 1 48 LEU QD 5.000 . 5.000 2.162 1.851 2.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 20 PHE QE 1 77 PHE QD 2.800 . 4.400 3.532 3.505 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 20 PHE QE 1 78 LEU HA 5.000 . 5.000 3.756 3.294 4.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 20 PHE QE 1 80 MET QB 3.400 . 4.500 3.503 2.838 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 20 PHE QE 1 81 MET HA 5.000 . 5.000 4.012 3.572 4.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 20 PHE QE 1 81 MET HB2 3.400 . 4.800 2.314 1.695 4.050 0.105 40 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 20 PHE QE 1 81 MET HB3 2.800 . 4.800 3.562 2.993 4.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 20 PHE QE 1 81 MET ME 5.000 . 5.000 2.247 1.857 3.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 20 PHE QE 1 81 MET HG2 5.000 . 5.000 3.646 1.823 4.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 20 PHE QE 1 81 MET HG3 2.800 . 5.000 3.070 1.826 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 21 LYS H 1 21 LYS HA 2.417 . 3.134 2.782 2.766 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 21 LYS H 1 21 LYS HB2 2.248 . 3.196 2.446 2.325 2.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 21 LYS H 1 21 LYS HB3 2.248 . 3.196 2.666 2.530 2.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 21 LYS H 1 21 LYS HG2 2.728 . 4.756 4.442 4.344 4.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 21 LYS H 1 21 LYS HG3 2.728 . 4.756 4.560 4.397 4.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 21 LYS H 1 22 ALA H 2.596 . 3.492 2.818 2.714 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 21 LYS H 1 23 ALA H 3.243 . 4.786 4.613 4.373 4.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 21 LYS H 1 74 PHE QE 2.495 . 3.290 2.359 2.273 2.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 21 LYS H 1 74 PHE HZ 2.488 . 3.276 2.875 2.463 3.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 21 LYS HA 1 21 LYS QD 5.000 . 5.000 3.285 1.904 4.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 21 LYS HA 1 22 ALA H 3.038 . 4.376 3.541 3.519 3.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 21 LYS HA 1 24 PHE H 3.350 . 5.000 3.289 3.106 3.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 21 LYS HA 1 25 ASP H 2.821 . 3.942 3.728 3.533 3.973 0.031 11 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 21 LYS HA 1 74 PHE QD 5.000 . 5.000 3.506 3.402 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 21 LYS HA 1 74 PHE QE 2.800 . 2.800 2.407 2.297 2.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 21 LYS HA 1 74 PHE HZ 3.400 . 5.000 3.811 3.583 3.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 21 LYS QB 1 74 PHE QD 5.000 . 5.300 4.233 4.194 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 21 LYS QB 1 74 PHE HZ 3.400 . 3.400 2.112 1.875 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 21 LYS HB2 1 22 ALA H 2.709 . 4.118 3.961 3.818 4.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 21 LYS HB2 1 74 PHE QE 3.400 . 4.400 2.748 2.640 2.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 21 LYS HB3 1 22 ALA H 2.709 . 4.118 2.786 2.679 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 21 LYS HB3 1 74 PHE QE 2.800 . 4.400 3.958 3.929 3.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 21 LYS QD 1 25 ASP H 2.427 . 5.000 4.129 3.740 4.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 21 LYS QG 1 25 ASP H 2.948 . 5.196 3.728 3.287 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 21 LYS QG 1 74 PHE QD 5.000 . 6.000 4.489 3.975 4.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 21 LYS QG 1 74 PHE HZ 5.000 . 5.000 3.847 3.410 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 21 LYS HG2 1 22 ALA H 3.339 . 5.200 4.526 4.287 5.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 21 LYS HG3 1 22 ALA H 3.339 . 5.200 4.936 4.124 5.207 0.007 11 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 22 ALA H 1 22 ALA HA 2.404 . 3.108 2.819 2.797 2.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 22 ALA H 1 22 ALA MB 2.279 . 2.858 2.250 2.211 2.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 22 ALA H 1 23 ALA H 2.515 . 3.330 2.794 2.733 2.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 22 ALA HA 1 25 ASP H 2.599 . 3.698 3.724 3.559 3.797 0.099 17 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 22 ALA HA 1 25 ASP QB 5.000 . 5.000 3.302 2.990 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 22 ALA MB 1 23 ALA H 2.438 . 3.176 2.248 2.175 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 22 ALA MB 1 24 PHE H 3.350 . 5.000 4.206 4.184 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 22 ALA MB 1 25 ASP H 3.040 . 5.800 4.714 4.610 4.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 23 ALA H 1 23 ALA HA 2.404 . 3.108 2.852 2.840 2.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 23 ALA H 1 23 ALA MB 2.250 . 2.800 2.203 2.051 2.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 23 ALA H 1 24 PHE H 2.817 . 3.934 2.511 2.340 2.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 23 ALA H 1 24 PHE QB 3.350 . 5.000 4.245 4.097 4.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 23 ALA H 1 25 ASP H 2.951 . 4.202 4.239 4.179 4.277 0.075 15 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 23 ALA H 1 26 ILE H 3.058 . 5.000 4.996 4.937 5.047 0.047 35 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 23 ALA H 1 26 ILE MD 3.350 . 5.200 4.356 4.346 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 23 ALA H 1 26 ILE QG 3.350 . 5.000 4.201 4.120 4.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 23 ALA HA 1 26 ILE H 2.629 . 3.558 3.503 3.388 3.580 0.022 29 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 23 ALA HA 1 27 PHE H 2.949 . 4.198 4.027 3.903 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 23 ALA MB 1 24 PHE H 2.753 . 3.806 2.640 2.551 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 23 ALA MB 1 25 ASP H 2.884 . 5.568 4.634 4.561 4.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 23 ALA MB 1 27 PHE QD 5.000 . 5.000 2.700 2.080 3.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 23 ALA MB 1 77 PHE QE 3.400 . 3.400 2.459 2.346 2.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 24 PHE H 1 24 PHE HB2 2.877 . 4.454 2.308 2.196 2.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 24 PHE H 1 24 PHE HB3 2.877 . 4.454 2.783 2.726 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 24 PHE H 1 24 PHE QD 3.263 . 4.826 4.105 4.032 4.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 24 PHE HA 1 25 ASP H 2.779 . 3.858 3.565 3.546 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 24 PHE HA 1 26 ILE H 2.639 . 4.700 4.546 4.308 4.734 0.034 8 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 24 PHE HA 1 27 PHE H 2.790 . 3.880 3.695 3.596 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 24 PHE HA 1 27 PHE QD 2.800 . 3.600 3.200 3.079 3.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 24 PHE HA 1 77 PHE QD 5.000 . 5.000 4.192 4.026 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 24 PHE QB 1 25 ASP H 2.457 . 3.214 2.462 2.381 2.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 24 PHE QB 1 74 PHE QD 3.400 . 5.000 2.976 2.832 3.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 24 PHE QB 1 74 PHE QE 5.000 . 5.000 3.174 3.028 3.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 24 PHE QB 1 77 PHE QD 5.000 . 5.000 2.343 2.184 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 24 PHE QB 1 77 PHE QE 5.000 . 5.000 2.395 2.261 2.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 24 PHE QD 1 25 ASP H 2.730 . 4.460 3.692 3.546 4.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 24 PHE QD 1 28 ILE QG 5.000 . 5.000 2.724 1.943 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 24 PHE QD 1 28 ILE MG 5.000 . 5.300 2.560 1.706 3.083 0.094 30 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 24 PHE QD 1 74 PHE QB 5.000 . 5.000 3.944 3.774 3.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 24 PHE QD 1 77 PHE QB 5.000 . 5.000 2.765 2.616 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 24 PHE QD 1 77 PHE QD 5.000 . 5.000 1.990 1.734 2.150 0.066 30 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 24 PHE QE 1 28 ILE QG 2.800 . 3.100 2.473 2.431 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 24 PHE QE 1 28 ILE MG 2.800 . 3.100 2.258 2.018 2.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 24 PHE QE 1 36 ILE H 2.685 . 3.670 3.215 3.008 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 24 PHE QE 1 73 ASP HA 5.000 . 5.000 2.730 2.539 3.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 24 PHE QE 1 74 PHE H 2.640 . 3.580 2.967 2.747 3.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 24 PHE QE 1 74 PHE HA 3.400 . 3.700 2.748 2.154 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 24 PHE QE 1 74 PHE QB 5.000 . 5.000 3.504 3.227 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 24 PHE QE 1 77 PHE H 5.000 . 5.000 4.239 3.959 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 24 PHE HZ 1 28 ILE MG 5.000 . 5.000 3.495 2.940 4.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 24 PHE HZ 1 35 CYS HA 3.400 . 3.400 1.861 1.758 2.071 0.042 11 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 24 PHE HZ 1 35 CYS QB 5.000 . 5.000 3.667 3.226 4.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 24 PHE HZ 1 36 ILE H 2.658 . 3.616 3.371 2.702 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 24 PHE HZ 1 73 ASP HA 2.800 . 2.800 2.528 2.277 2.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 24 PHE HZ 1 73 ASP QB 5.000 . 5.000 4.275 4.002 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 24 PHE HZ 1 74 PHE H 2.543 . 3.386 2.989 2.715 3.432 0.046 30 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 24 PHE HZ 1 74 PHE HA 5.000 . 5.000 4.366 4.152 4.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 24 PHE HZ 1 74 PHE QB 5.000 . 5.000 3.818 3.565 4.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 24 PHE HZ 1 74 PHE QD 5.000 . 5.600 5.003 4.898 5.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 25 ASP H 1 25 ASP HA 2.409 . 3.118 2.830 2.802 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 25 ASP H 1 25 ASP HB2 2.437 . 3.574 2.381 2.092 3.654 0.080 27 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 25 ASP H 1 25 ASP HB3 2.437 . 3.574 3.036 2.640 3.608 0.034 11 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 25 ASP H 1 26 ILE H 2.533 . 3.366 2.738 2.615 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 25 ASP HA 1 26 ILE H 2.774 . 3.848 3.558 3.502 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 25 ASP HA 1 28 ILE H 2.659 . 3.918 3.697 3.493 3.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 25 ASP HA 1 28 ILE MG 5.000 . 5.000 3.576 2.051 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 25 ASP HB2 1 26 ILE H 2.730 . 4.160 3.470 2.657 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 25 ASP HB3 1 26 ILE H 2.730 . 4.160 2.955 2.447 4.185 0.025 37 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 26 ILE H 1 26 ILE HA 2.410 . 3.120 2.871 2.835 2.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 26 ILE H 1 26 ILE HB 2.211 . 3.822 3.642 3.630 3.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 26 ILE H 1 26 ILE MD 2.639 . 3.678 2.303 2.183 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 26 ILE H 1 26 ILE HG12 2.491 . 3.682 1.947 1.892 1.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 26 ILE H 1 26 ILE HG13 2.491 . 3.682 2.971 2.824 3.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 26 ILE H 1 27 PHE H 2.344 . 2.988 2.585 2.426 2.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 26 ILE H 1 28 ILE H 2.757 . 4.014 4.023 3.907 4.071 0.057 40 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 26 ILE HA 1 27 PHE H 2.687 . 3.674 3.552 3.534 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 26 ILE HA 1 29 GLN H 5.000 . 5.000 3.832 3.425 4.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 26 ILE HA 1 29 GLN QG 3.400 . 5.000 4.424 4.251 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 26 ILE HB 1 27 PHE H 2.382 . 3.864 3.731 3.669 3.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 26 ILE MD 1 27 PHE H 2.561 . 4.622 3.457 3.438 3.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 26 ILE QG 1 27 PHE QE 5.000 . 5.500 3.599 3.186 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 26 ILE MG 1 29 GLN HE21 5.000 . 5.000 3.743 3.349 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 26 ILE MG 1 29 GLN HE22 5.000 . 5.000 3.947 3.292 4.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 27 PHE H 1 27 PHE HA 2.409 . 3.118 2.876 2.845 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 27 PHE H 1 27 PHE HB2 2.496 . 3.692 2.433 2.333 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 27 PHE H 1 27 PHE HB3 2.496 . 3.692 3.622 3.588 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 27 PHE H 1 27 PHE QE 2.722 . 5.244 4.676 4.521 4.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 27 PHE HA 1 27 PHE QD 2.800 . 2.800 1.959 1.808 2.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 27 PHE HA 1 27 PHE QE 5.000 . 5.000 4.196 4.131 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 27 PHE HA 1 28 ILE H 2.672 . 3.644 3.540 3.502 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 27 PHE HB2 1 27 PHE QD 2.800 . 3.400 2.339 2.308 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 27 PHE HB2 1 28 ILE H 2.707 . 4.114 2.866 2.606 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 27 PHE HB3 1 27 PHE QD 3.400 . 3.400 2.741 2.611 2.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 27 PHE HB3 1 28 ILE H 2.707 . 4.114 3.770 3.671 3.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 27 PHE QD 1 36 ILE MD 5.000 . 5.300 3.956 3.924 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 27 PHE QD 1 43 LYS QB 5.000 . 5.000 3.954 3.811 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 27 PHE QD 1 44 VAL QG 3.400 . 3.800 2.446 2.135 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 27 PHE QE 1 44 VAL HA 5.000 . 5.000 2.275 1.882 2.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 27 PHE QE 1 44 VAL QG 5.000 . 5.000 2.097 1.726 2.536 0.074 4 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 27 PHE QE 1 47 MET QB 5.000 . 5.000 3.795 3.174 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 27 PHE QE 1 47 MET QG 5.000 . 5.000 3.838 3.224 4.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 28 ILE H 1 28 ILE HA 2.413 . 3.126 2.945 2.929 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 28 ILE H 1 28 ILE HB 2.430 . 3.861 3.281 2.462 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 28 ILE H 1 28 ILE MD 2.439 . 5.100 3.892 3.633 4.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 28 ILE H 1 28 ILE QG 2.682 . 4.864 2.778 2.038 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 28 ILE H 1 28 ILE MG 2.682 . 4.464 2.515 2.212 3.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 28 ILE HA 1 31 ALA MB 5.000 . 5.000 2.252 1.954 3.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 28 ILE HB 1 29 GLN H 3.063 . 4.826 4.474 4.367 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 28 ILE HB 1 31 ALA H 2.987 . 5.474 4.472 3.700 5.547 0.073 35 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 28 ILE HB 1 35 CYS H 2.882 . 4.864 3.686 2.882 4.880 0.016 34 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 28 ILE MD 1 29 GLN H 3.093 . 4.886 3.793 3.321 4.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 28 ILE MD 1 30 ASP H 3.260 . 5.600 4.675 4.125 4.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 28 ILE MD 1 31 ALA H 3.176 . 4.652 3.440 2.641 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 28 ILE MD 1 31 ALA MB 5.000 . 5.000 2.579 1.704 3.425 0.096 30 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 28 ILE MD 1 34 GLY H 3.350 . 5.000 3.485 1.943 4.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 28 ILE MD 1 35 CYS H 2.741 . 5.000 3.673 2.476 4.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 28 ILE QG 1 28 ILE MG 2.800 . 3.600 2.178 2.043 2.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 28 ILE QG 1 29 GLN H 3.019 . 5.238 3.677 2.756 4.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 28 ILE MG 1 34 GLY H 3.350 . 5.500 4.194 2.892 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 28 ILE MG 1 34 GLY QA 5.000 . 5.000 3.386 2.572 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 28 ILE MG 1 35 CYS H 2.930 . 5.160 3.236 2.503 4.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 29 GLN H 1 29 GLN HA 2.406 . 3.112 2.805 2.734 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 29 GLN H 1 29 GLN QB 2.655 . 4.010 2.271 2.249 2.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 29 GLN H 1 29 GLN QG 2.655 . 4.510 3.976 3.952 4.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 29 GLN H 1 30 ASP H 2.763 . 3.826 2.754 2.485 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 29 GLN HA 1 29 GLN QE 3.400 . 4.400 3.805 3.303 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 29 GLN HA 1 30 ASP H 2.441 . 3.582 3.554 3.536 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 29 GLN HA 1 31 ALA H 2.654 . 4.208 4.017 3.902 4.288 0.080 11 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 29 GLN QB 1 30 ASP H 2.794 . 3.888 2.457 2.117 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 29 GLN QB 1 31 ALA H 2.852 . 5.200 4.482 4.160 4.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 29 GLN QG 1 30 ASP H 2.794 . 3.888 3.500 3.474 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 30 ASP H 1 30 ASP HA 2.406 . 3.112 2.940 2.893 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 30 ASP H 1 30 ASP QB 2.533 . 3.766 2.501 2.242 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 30 ASP H 1 31 ALA H 2.475 . 3.250 2.632 2.423 3.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 30 ASP HA 1 31 ALA H 2.420 . 3.340 3.128 2.770 3.341 0.001 35 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 30 ASP HB2 1 31 ALA H 2.911 . 4.722 4.130 3.605 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 30 ASP HB3 1 31 ALA H 2.911 . 4.722 4.307 3.620 4.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 31 ALA H 1 31 ALA HA 2.407 . 3.114 2.933 2.756 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 31 ALA H 1 31 ALA MB 2.203 . 3.006 2.309 2.155 2.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 31 ALA H 1 32 GLU H 2.962 . 4.524 4.557 4.538 4.597 0.073 11 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 31 ALA HA 1 32 GLU H 2.188 . 2.676 2.281 2.181 2.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 31 ALA HA 1 33 ASP H 2.965 . 4.230 4.198 3.665 4.275 0.045 32 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 31 ALA MB 1 32 GLU H 2.425 . 3.150 2.617 2.490 2.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 31 ALA MB 1 33 ASP H 2.552 . 3.404 2.681 2.457 2.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 31 ALA MB 1 34 GLY H 3.017 . 4.334 2.988 2.429 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 31 ALA MB 1 35 CYS H 2.319 . 4.238 3.211 2.646 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 32 GLU H 1 32 GLU HA 2.415 . 3.130 2.961 2.951 2.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 32 GLU H 1 32 GLU QG 2.661 . 3.622 2.674 1.940 3.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 32 GLU H 1 33 ASP H 2.536 . 3.372 2.654 1.975 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 32 GLU HA 1 33 ASP H 2.459 . 3.518 2.868 2.721 3.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 32 GLU HA 1 34 GLY H 3.350 . 5.300 4.481 3.594 5.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 33 ASP H 1 33 ASP HA 2.406 . 3.112 2.941 2.892 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 33 ASP H 1 33 ASP HB2 2.637 . 3.974 2.818 2.262 3.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 33 ASP H 1 33 ASP HB3 2.637 . 3.974 3.475 2.822 3.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 33 ASP H 1 34 GLY H 2.831 . 3.962 2.047 1.934 2.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 33 ASP H 1 35 CYS H 2.677 . 4.154 3.841 3.362 4.183 0.029 34 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 33 ASP HA 1 34 GLY H 3.038 . 4.376 3.509 3.124 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 33 ASP HA 1 35 CYS H 3.006 . 5.300 5.274 4.860 5.402 0.102 29 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 33 ASP QB 1 35 CYS H 2.961 . 4.422 3.290 2.999 3.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 33 ASP HB2 1 34 GLY H 3.350 . 5.000 3.161 2.371 4.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 33 ASP HB3 1 34 GLY H 3.350 . 5.000 3.223 2.331 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 34 GLY H 1 34 GLY HA2 2.790 . 4.280 2.413 2.300 2.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 34 GLY H 1 34 GLY HA3 2.790 . 4.280 2.934 2.772 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 34 GLY H 1 35 CYS H 2.938 . 4.176 2.195 1.974 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 34 GLY HA2 1 35 CYS H 2.492 . 3.684 2.801 2.645 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 34 GLY HA3 1 35 CYS H 2.492 . 3.684 3.549 3.538 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 35 CYS H 1 35 CYS HA 2.407 . 3.114 2.910 2.886 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 35 CYS H 1 35 CYS QB 2.539 . 3.678 3.112 2.742 3.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 35 CYS H 1 36 ILE H 2.903 . 4.306 4.300 4.177 4.358 0.052 2 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 35 CYS HA 1 36 ILE H 2.129 . 2.558 2.246 2.166 2.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 35 CYS QB 1 71 THR HB 5.000 . 5.000 1.956 1.729 2.260 0.071 40 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 35 CYS HB2 1 36 ILE H 2.354 . 4.008 3.332 2.714 4.078 0.070 40 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 35 CYS HB2 1 72 VAL H 3.350 . 5.200 3.952 3.084 5.200 0.000 40 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 35 CYS HB3 1 36 ILE H 2.354 . 4.008 3.504 2.808 4.048 0.040 11 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 35 CYS HB3 1 72 VAL H 3.350 . 5.200 4.302 3.141 5.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 36 ILE H 1 36 ILE HA 2.418 . 3.136 2.921 2.899 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 36 ILE H 1 36 ILE HB 2.307 . 3.714 3.689 3.666 3.725 0.011 40 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 36 ILE H 1 36 ILE MD 2.284 . 4.868 3.905 3.722 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 36 ILE H 1 36 ILE MD 2.755 . 3.810 2.140 1.952 2.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 36 ILE H 1 36 ILE QG 2.402 . 3.104 2.298 2.076 2.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 36 ILE H 1 71 THR HB 2.645 . 3.990 4.016 3.978 4.048 0.058 4 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 36 ILE H 1 72 VAL H 2.534 . 3.368 3.167 2.952 3.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 36 ILE H 1 72 VAL HB 2.536 . 3.372 3.372 3.261 3.413 0.041 27 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 36 ILE H 1 72 VAL QG 2.713 . 5.300 3.930 3.818 3.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 36 ILE HB 1 37 SER H 2.569 . 3.438 2.313 2.161 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 36 ILE HB 1 72 VAL H 3.350 . 5.000 4.826 4.698 4.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 36 ILE MD 1 38 THR H 2.950 . 4.400 3.296 3.268 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 36 ILE MD 1 41 LEU H 3.032 . 5.200 3.890 3.862 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 36 ILE MD 1 37 SER H 2.345 . 2.990 2.497 2.421 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 36 ILE MD 1 40 GLU H 2.871 . 4.742 3.971 3.812 4.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 36 ILE MD 1 72 VAL H 3.350 . 5.000 3.145 2.715 3.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 36 ILE MD 1 72 VAL MG2 5.000 . 5.000 2.237 2.002 2.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 36 ILE MD 1 77 PHE QE 5.000 . 5.200 3.652 3.337 3.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 36 ILE QG 1 77 PHE QD 5.000 . 5.000 3.961 3.729 4.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 36 ILE QG 1 77 PHE QE 5.000 . 5.000 3.782 3.586 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 37 SER H 1 37 SER HA 2.415 . 3.130 2.924 2.887 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 37 SER H 1 37 SER HB2 2.230 . 3.160 2.502 2.294 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 37 SER H 1 37 SER HB3 2.230 . 3.160 2.804 2.452 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 37 SER H 1 38 THR H 3.109 . 5.000 4.348 4.253 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 37 SER H 1 40 GLU QB 2.773 . 4.246 3.639 3.277 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 37 SER HA 1 38 THR H 2.212 . 2.724 2.152 2.134 2.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 37 SER HA 1 39 LYS H 2.954 . 4.608 3.736 3.509 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 37 SER HA 1 71 THR HA 5.000 . 5.000 2.991 2.615 3.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 37 SER HA 1 71 THR MG 5.000 . 5.000 3.137 2.810 3.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 37 SER HA 1 72 VAL H 3.350 . 5.000 4.023 3.734 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 37 SER QB 1 38 THR H 2.577 . 4.454 3.845 3.717 3.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 38 THR H 1 38 THR HA 2.407 . 3.114 2.795 2.769 2.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 38 THR H 1 38 THR HB 2.664 . 4.028 3.515 2.299 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 38 THR H 1 38 THR MG 2.331 . 2.962 2.033 1.901 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 38 THR H 1 39 LYS H 2.516 . 3.332 2.754 2.647 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 38 THR H 1 40 GLU H 2.755 . 4.110 4.075 3.992 4.135 0.025 21 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 38 THR H 1 71 THR HA 2.510 . 3.321 2.353 1.904 2.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 38 THR H 1 72 VAL QG 2.695 . 4.490 3.339 3.142 3.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 38 THR HA 1 38 THR HB 2.800 . 2.800 2.473 2.404 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 38 THR HA 1 39 LYS H 2.632 . 3.564 3.535 3.499 3.576 0.012 20 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 38 THR HA 1 40 GLU H 2.461 . 4.322 4.032 3.924 4.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 38 THR HA 1 61 ILE QG 3.400 . 4.100 3.492 3.102 3.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 38 THR HB 1 39 LYS H 2.856 . 4.012 3.730 3.359 4.058 0.046 16 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 38 THR HB 1 61 ILE QG 3.400 . 4.500 2.979 1.795 4.038 0.005 34 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 38 THR MG 1 39 LYS H 3.142 . 4.584 3.678 1.971 3.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 38 THR MG 1 70 GLY H 3.350 . 5.000 3.265 3.039 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 38 THR MG 1 71 THR H 2.585 . 3.470 2.639 2.460 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 39 LYS H 1 39 LYS HA 2.405 . 3.110 2.835 2.805 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 39 LYS H 1 39 LYS QB 2.323 . 2.946 2.580 2.491 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 39 LYS H 1 39 LYS QD 2.943 . 4.186 3.004 2.095 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 39 LYS H 1 39 LYS QG 2.522 . 3.344 2.057 1.893 2.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 39 LYS H 1 40 GLU H 2.464 . 3.228 2.613 2.486 2.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 39 LYS H 1 41 LEU H 3.032 . 4.764 4.154 4.014 4.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 39 LYS HA 1 39 LYS QD 5.000 . 5.000 3.870 1.924 4.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 39 LYS HA 1 40 GLU H 2.442 . 3.584 3.503 3.478 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 39 LYS HA 1 41 LEU H 2.718 . 3.736 3.726 3.598 3.792 0.056 32 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 39 LYS QD 1 40 GLU H 2.912 . 4.824 4.053 2.881 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 39 LYS QG 1 40 GLU H 2.850 . 4.400 2.696 1.995 3.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 40 GLU H 1 40 GLU HA 2.410 . 3.120 2.943 2.895 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 40 GLU H 1 40 GLU QB 2.365 . 3.430 2.438 2.273 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 40 GLU H 1 40 GLU QG 2.524 . 3.348 2.658 2.477 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 40 GLU H 1 41 LEU H 2.311 . 2.922 2.661 2.545 2.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 40 GLU HA 1 41 LEU H 2.651 . 3.602 3.087 2.968 3.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 40 GLU HA 1 43 LYS H 2.817 . 4.934 3.813 3.439 4.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 40 GLU QB 1 42 GLY H 3.350 . 5.400 4.510 4.225 4.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 40 GLU QB 1 43 LYS H 5.000 . 5.000 3.883 3.437 4.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 40 GLU HB2 1 41 LEU H 2.845 . 4.590 4.038 3.771 4.625 0.035 21 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 40 GLU HB3 1 41 LEU H 2.845 . 4.590 4.434 4.243 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 41 LEU H 1 41 LEU HA 2.410 . 3.120 2.824 2.774 2.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 41 LEU H 1 41 LEU HB2 2.366 . 3.432 2.261 2.082 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 41 LEU H 1 41 LEU HB3 2.366 . 3.432 2.905 2.446 3.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 41 LEU H 1 41 LEU HG 2.459 . 4.618 4.380 3.759 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 41 LEU H 1 42 GLY H 2.536 . 3.772 2.675 2.542 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 41 LEU H 1 57 LEU QD 2.609 . 4.718 3.055 2.528 3.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 41 LEU HA 1 44 VAL H 2.453 . 3.606 3.188 2.905 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 41 LEU HA 1 45 MET H 2.837 . 4.774 4.154 3.757 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 41 LEU HB2 1 42 GLY H 3.350 . 5.000 3.841 3.383 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 41 LEU HB3 1 42 GLY H 3.350 . 5.000 3.133 2.772 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 41 LEU QD 1 44 VAL H 3.051 . 5.000 3.548 3.078 3.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 41 LEU QD 1 45 MET H 2.828 . 3.956 2.841 2.397 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 41 LEU QD 1 77 PHE QD 5.000 . 5.200 3.419 3.101 3.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 41 LEU QD 1 77 PHE QE 5.000 . 5.000 2.622 2.210 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 42 GLY H 1 42 GLY HA2 2.935 . 4.570 2.802 2.766 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 42 GLY H 1 42 GLY HA3 2.935 . 4.570 2.304 2.297 2.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 42 GLY H 1 43 LYS H 2.882 . 4.064 2.716 2.563 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 42 GLY H 1 57 LEU QD 3.046 . 5.000 2.684 1.931 3.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 42 GLY QA 1 43 LYS HA 5.000 . 5.000 4.080 4.059 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 42 GLY QA 1 45 MET H 2.837 . 3.974 3.279 3.060 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 42 GLY HA2 1 43 LYS H 2.700 . 4.100 3.529 3.459 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 42 GLY HA3 1 43 LYS H 2.700 . 4.100 2.913 2.775 3.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 43 LYS H 1 43 LYS HA 2.408 . 3.116 2.858 2.820 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 43 LYS H 1 43 LYS QB 2.233 . 3.166 2.428 2.084 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 43 LYS H 1 43 LYS QD 2.793 . 4.486 3.776 3.275 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 43 LYS H 1 43 LYS HG2 2.833 . 4.566 2.952 2.015 4.663 0.097 34 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 43 LYS H 1 43 LYS HG3 2.833 . 4.566 3.134 2.094 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 43 LYS H 1 44 VAL QG 2.941 . 4.682 3.463 3.174 3.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 43 LYS H 1 45 MET H 3.109 . 5.000 4.119 3.732 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 43 LYS HA 1 44 VAL H 2.601 . 3.502 3.478 3.415 3.510 0.008 22 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 43 LYS QG 1 44 VAL H 2.818 . 4.736 4.048 2.227 4.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 44 VAL H 1 44 VAL HA 2.410 . 3.120 2.917 2.859 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 44 VAL H 1 44 VAL HB 2.107 . 3.814 3.177 2.611 3.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 44 VAL H 1 44 VAL QG 2.161 . 2.622 1.957 1.893 1.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 44 VAL H 1 45 MET H 2.357 . 3.014 2.303 2.163 2.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 44 VAL H 1 46 ARG H 2.775 . 3.850 3.892 3.861 3.915 0.065 28 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 44 VAL HA 1 45 MET H 2.779 . 3.858 3.538 3.500 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 44 VAL HA 1 47 MET H 2.669 . 3.638 3.324 2.979 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 44 VAL HB 1 45 MET H 2.306 . 4.412 3.337 2.160 4.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 44 VAL QG 1 45 MET H 2.478 . 4.256 2.588 1.960 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 44 VAL QG 1 77 PHE QE 5.000 . 5.000 1.837 1.666 2.473 0.134 25 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 45 MET H 1 45 MET HA 2.409 . 3.118 2.802 2.751 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 45 MET H 1 45 MET HB2 2.473 . 3.646 2.425 2.087 3.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 45 MET H 1 45 MET HB3 2.473 . 3.646 3.302 2.217 3.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 45 MET H 1 45 MET HG2 2.419 . 4.638 3.329 2.014 4.648 0.010 11 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 45 MET H 1 45 MET HG3 2.419 . 4.638 3.608 1.883 4.654 0.016 4 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 45 MET H 1 46 ARG H 2.377 . 3.054 2.741 2.601 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 45 MET H 1 47 MET H 2.972 . 4.244 4.072 3.883 4.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 45 MET HA 1 46 ARG H 2.435 . 3.670 3.556 3.518 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 45 MET HA 1 47 MET H 2.843 . 4.186 4.186 4.018 4.239 0.053 15 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 45 MET HA 1 48 LEU H 2.613 . 3.526 3.252 3.016 3.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 45 MET HA 1 50 GLN H 2.943 . 4.586 4.050 3.719 4.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 45 MET QB 1 46 ARG H 2.452 . 4.004 2.703 2.491 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 45 MET ME 1 45 MET QG 3.400 . 5.000 2.080 1.918 2.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 45 MET QG 1 46 ARG H 2.918 . 4.936 4.006 1.995 4.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 46 ARG H 1 46 ARG HA 2.410 . 3.120 2.839 2.819 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 46 ARG H 1 46 ARG QB 2.088 . 2.876 2.540 2.382 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 46 ARG H 1 46 ARG QG 2.438 . 3.176 2.135 2.029 2.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 46 ARG H 1 47 MET H 3.109 . 5.000 2.622 2.404 2.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 46 ARG H 1 48 LEU H 2.711 . 4.022 4.006 3.897 4.044 0.022 15 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 46 ARG HA 1 47 MET H 2.765 . 3.830 3.516 3.492 3.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 46 ARG HA 1 49 GLY H 3.117 . 4.534 3.432 3.189 3.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 46 ARG HA 1 50 GLN H 2.387 . 3.074 2.926 2.471 3.102 0.028 39 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 46 ARG QB 1 46 ARG HD2 3.400 . 3.800 2.584 2.007 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 46 ARG QB 1 46 ARG HD3 3.400 . 3.800 2.566 2.046 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 46 ARG QB 1 47 MET H 2.429 . 3.958 3.270 2.617 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 46 ARG QB 1 51 ASN HA 5.000 . 5.000 4.309 3.339 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 46 ARG QG 1 47 MET H 2.949 . 4.598 2.654 1.905 4.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 47 MET H 1 47 MET HA 2.405 . 3.110 2.878 2.849 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 47 MET H 1 47 MET QB 2.233 . 2.766 2.241 2.077 2.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 47 MET H 1 47 MET ME 3.160 . 4.620 3.681 3.351 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 47 MET H 1 47 MET HG2 2.671 . 4.642 3.207 2.204 4.645 0.003 9 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 47 MET H 1 47 MET HG3 2.671 . 4.642 3.849 2.660 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 47 MET H 1 48 LEU H 2.392 . 3.084 2.455 2.389 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 47 MET H 1 49 GLY H 3.092 . 4.700 3.926 3.870 4.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 47 MET QB 1 48 LEU H 2.440 . 3.980 2.805 2.688 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 47 MET QB 1 49 GLY H 3.350 . 5.200 4.649 4.592 4.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 48 LEU H 1 48 LEU HA 2.409 . 3.118 2.872 2.846 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 48 LEU H 1 48 LEU HB2 2.409 . 3.518 2.169 2.121 2.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 48 LEU H 1 48 LEU HB3 2.409 . 3.518 3.470 3.423 3.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 48 LEU H 1 48 LEU MD1 2.616 . 4.632 2.445 2.048 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 48 LEU H 1 48 LEU MD2 2.616 . 4.632 3.503 2.273 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 48 LEU H 1 49 GLY H 2.848 . 3.996 2.467 2.403 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 48 LEU H 1 50 GLN H 3.092 . 3.758 3.799 3.777 3.844 0.086 2 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 48 LEU HA 1 48 LEU MD1 3.400 . 3.400 2.217 1.827 2.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 48 LEU HA 1 49 GLY H 3.087 . 4.474 3.504 3.484 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 48 LEU QB 1 50 GLN QE 5.000 . 5.000 3.058 1.821 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 48 LEU HB2 1 49 GLY H 3.350 . 5.000 2.983 2.882 3.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 48 LEU HB2 1 50 GLN H 2.789 . 4.278 3.646 3.220 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 48 LEU HB3 1 49 GLY H 3.350 . 5.000 3.461 3.345 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 48 LEU HB3 1 50 GLN H 2.789 . 4.278 4.161 3.753 4.320 0.042 13 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 48 LEU QD 1 49 GLY H 3.350 . 5.200 3.891 3.834 3.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 48 LEU QD 1 77 PHE QE 5.000 . 5.000 3.320 3.312 3.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 49 GLY H 1 49 GLY HA2 2.784 . 4.268 2.494 2.450 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 49 GLY H 1 49 GLY HA3 2.784 . 4.268 2.965 2.960 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 49 GLY H 1 50 GLN H 2.759 . 3.818 1.947 1.892 2.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 49 GLY H 1 50 GLN QG 3.350 . 5.000 3.687 3.230 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 49 GLY QA 1 50 GLN H 2.675 . 3.650 2.857 2.784 2.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 49 GLY QA 1 50 GLN HE21 5.000 . 5.000 3.237 2.562 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 49 GLY QA 1 50 GLN HE22 5.000 . 5.000 4.357 3.704 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 50 GLN H 1 50 GLN HA 2.408 . 3.116 2.945 2.897 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 50 GLN H 1 50 GLN QG 2.287 . 3.374 2.660 2.208 3.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 50 GLN HA 1 50 GLN QE 5.000 . 5.000 3.820 3.287 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 50 GLN HA 1 50 GLN QG 2.800 . 4.200 2.927 2.369 3.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 50 GLN HA 1 51 ASN H 2.113 . 2.526 2.314 2.151 2.534 0.008 14 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 50 GLN HA 1 51 ASN QB 5.000 . 5.000 4.130 3.808 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 50 GLN QB 1 51 ASN H 2.690 . 3.680 2.677 2.156 3.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 50 GLN HE22 1 50 GLN QG 3.400 . 3.900 3.309 3.272 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 50 GLN QG 1 51 ASN H 2.335 . 5.200 4.252 3.452 4.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 51 ASN H 1 51 ASN HA 2.413 . 3.126 2.939 2.892 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 51 ASN H 1 51 ASN HB2 2.480 . 3.860 3.248 2.509 3.875 0.015 27 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 51 ASN H 1 51 ASN HB3 2.480 . 3.860 3.283 2.874 3.867 0.007 31 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 51 ASN H 1 52 PRO QD 2.767 . 3.834 2.845 2.136 3.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 51 ASN HA 1 52 PRO HD2 3.400 . 3.400 2.364 2.190 2.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 51 ASN HA 1 52 PRO HD3 3.400 . 3.400 2.534 2.237 3.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 51 ASN HB2 1 51 ASN HD21 3.400 . 5.000 2.861 2.254 3.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 51 ASN HB3 1 51 ASN HD21 3.400 . 5.000 2.850 2.247 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 52 PRO HA 1 53 THR H 2.034 . 3.568 2.790 2.760 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 52 PRO QB 1 57 LEU H 2.768 . 3.835 3.321 3.110 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 52 PRO HB2 1 53 THR H 2.467 . 3.634 1.874 1.845 1.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 52 PRO HB3 1 53 THR H 2.467 . 3.634 3.145 3.120 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 52 PRO QG 1 53 THR H 2.453 . 4.006 3.625 3.602 3.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 52 PRO QG 1 57 LEU H 2.627 . 4.454 3.895 3.541 4.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 53 THR H 1 53 THR HA 2.410 . 3.120 2.957 2.945 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 53 THR H 1 53 THR HB 2.034 . 3.868 3.727 3.682 3.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 53 THR H 1 53 THR HG1 2.793 . 3.886 3.792 2.606 3.918 0.032 15 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 53 THR H 1 53 THR MG 2.121 . 2.542 2.129 2.104 2.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 53 THR H 1 54 PRO QD 2.731 . 4.962 4.356 4.339 4.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 53 THR H 1 56 GLU H 2.605 . 3.510 3.558 3.521 3.607 0.097 12 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 53 THR H 1 56 GLU HB2 2.467 . 3.534 2.554 1.953 3.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 53 THR H 1 56 GLU HB3 2.375 . 3.450 2.641 2.084 3.464 0.014 11 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 53 THR H 1 57 LEU H 3.092 . 4.700 3.589 3.262 3.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 53 THR HA 1 53 THR HB 2.800 . 2.800 2.342 2.332 2.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 53 THR HA 1 53 THR MG 3.400 . 3.400 2.589 2.535 2.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 53 THR HA 1 54 PRO QD 2.800 . 2.800 2.272 2.213 2.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 53 THR HA 1 55 GLU H 2.995 . 4.390 4.348 4.263 4.433 0.043 36 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 53 THR HB 1 54 PRO HD2 2.800 . 2.800 1.737 1.710 1.763 0.090 35 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 53 THR HB 1 54 PRO QD 5.000 . 5.000 1.717 1.696 1.745 0.104 35 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 53 THR HB 1 54 PRO HD3 2.800 . 2.800 2.716 2.579 2.816 0.016 26 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 53 THR HB 1 55 GLU H 2.529 . 3.358 3.260 3.156 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 53 THR HB 1 56 GLU H 2.904 . 4.108 3.887 3.757 4.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 53 THR HG1 1 55 GLU H 2.907 . 4.114 2.469 2.198 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 53 THR HG1 1 56 GLU H 2.669 . 3.638 2.367 2.050 2.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 53 THR MG 1 55 GLU H 2.825 . 5.100 4.282 4.245 4.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 53 THR MG 1 56 GLU H 2.884 . 4.468 3.724 3.654 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 54 PRO HA 1 55 GLU H 2.809 . 3.918 3.510 3.491 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 54 PRO HA 1 56 GLU H 3.165 . 4.630 4.405 4.278 4.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 54 PRO HA 1 57 LEU H 2.767 . 3.834 3.707 3.502 3.848 0.014 38 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 54 PRO HA 1 58 GLN H 2.894 . 4.088 4.096 3.983 4.143 0.055 19 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 54 PRO QB 1 55 GLU H 2.623 . 3.746 3.297 3.257 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 54 PRO QD 1 55 GLU H 2.554 . 3.408 2.417 2.335 2.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 55 GLU H 1 55 GLU HA 2.406 . 3.112 2.903 2.896 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 55 GLU H 1 55 GLU QB 2.351 . 3.402 2.427 2.194 2.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 55 GLU H 1 55 GLU QG 2.516 . 3.332 2.456 1.951 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 55 GLU H 1 56 GLU H 2.432 . 3.164 2.358 2.317 2.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 55 GLU H 1 57 LEU H 3.092 . 4.700 4.040 3.724 4.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 55 GLU QB 1 56 GLU H 2.536 . 4.072 2.886 2.545 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 56 GLU H 1 56 GLU HA 2.405 . 3.110 2.867 2.843 2.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 56 GLU H 1 56 GLU HB2 2.519 . 3.738 2.297 2.176 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 56 GLU H 1 56 GLU HB3 2.519 . 3.738 3.074 2.701 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 56 GLU H 1 57 LEU H 2.481 . 3.262 2.599 2.415 2.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 56 GLU HA 1 58 GLN H 2.440 . 4.380 4.337 4.192 4.427 0.047 24 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 56 GLU QB 1 57 LEU H 2.505 . 3.310 2.513 2.272 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 57 LEU H 1 57 LEU HA 2.406 . 3.112 2.825 2.783 2.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 57 LEU H 1 57 LEU HB2 2.418 . 3.536 3.490 2.715 3.615 0.079 35 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 57 LEU H 1 57 LEU HB3 2.418 . 3.536 2.444 2.180 2.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 57 LEU H 1 57 LEU QD 2.648 . 4.496 3.116 2.928 3.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 57 LEU H 1 57 LEU HG 2.648 . 4.496 2.693 2.086 4.561 0.065 32 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 57 LEU H 1 58 GLN H 2.435 . 3.170 2.672 2.510 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 57 LEU H 1 59 GLU H 3.179 . 4.658 4.228 3.918 4.670 0.012 35 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 57 LEU HB2 1 58 GLN H 2.593 . 4.386 3.951 3.796 4.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 57 LEU HB3 1 58 GLN H 2.593 . 4.386 3.783 2.571 4.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 57 LEU QD 1 58 GLN H 2.625 . 3.550 2.514 2.190 2.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 57 LEU MD1 1 58 GLN HE21 5.000 . 5.000 3.552 2.708 4.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 57 LEU MD1 1 58 GLN HE22 5.000 . 5.000 4.062 3.733 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 57 LEU HG 1 58 GLN H 2.772 . 4.444 2.502 1.992 4.505 0.061 9 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 58 GLN H 1 58 GLN HA 2.406 . 3.112 2.834 2.794 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 58 GLN H 1 58 GLN QB 2.191 . 2.682 2.200 2.095 2.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 58 GLN H 1 58 GLN QG 2.534 . 4.568 3.622 2.747 4.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 58 GLN HA 1 58 GLN HE21 5.000 . 5.000 2.432 1.920 2.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 58 GLN HA 1 58 GLN HE22 5.000 . 5.000 3.233 3.100 3.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 58 GLN HA 1 59 GLU H 2.881 . 4.062 3.543 3.493 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 58 GLN HA 1 60 MET H 2.427 . 5.000 4.390 4.103 4.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 58 GLN HA 1 61 ILE H 2.586 . 3.472 3.365 3.098 3.528 0.056 16 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 58 GLN HA 1 62 ASP H 2.897 . 4.094 3.919 3.560 4.118 0.024 9 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 58 GLN QE 1 70 GLY H 3.350 . 6.000 5.391 5.343 5.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 58 GLN HE21 1 61 ILE HB 5.000 . 5.000 2.646 2.043 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 58 GLN HE21 1 61 ILE MG 3.400 . 5.000 2.966 2.392 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 58 GLN HE21 1 62 ASP H 5.000 . 5.000 4.089 3.039 5.023 0.023 35 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 58 GLN HE22 1 58 GLN QG 2.800 . 3.800 3.326 3.296 3.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 58 GLN HE22 1 61 ILE HB 5.000 . 5.000 3.098 2.615 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 58 GLN HE22 1 61 ILE MG 5.000 . 5.000 2.664 2.034 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 58 GLN HE22 1 62 ASP H 5.000 . 5.000 4.704 4.086 5.007 0.007 28 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 59 GLU H 1 59 GLU HA 2.404 . 3.108 2.829 2.805 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 59 GLU H 1 59 GLU QB 2.243 . 2.786 2.307 2.129 2.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 59 GLU H 1 59 GLU QG 2.516 . 3.332 2.569 2.043 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 59 GLU HA 1 59 GLU QG 3.400 . 3.800 2.531 2.101 3.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 59 GLU HA 1 62 ASP QB 5.000 . 5.000 2.859 2.474 4.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 59 GLU HA 1 63 GLU H 2.862 . 4.324 4.314 3.935 4.402 0.078 17 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 60 MET H 1 60 MET HA 2.404 . 3.108 2.851 2.821 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 60 MET H 1 60 MET QB 2.308 . 2.916 2.572 2.508 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 60 MET H 1 60 MET QG 2.527 . 3.354 2.078 1.912 2.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 60 MET H 1 61 ILE H 2.520 . 3.340 2.558 2.393 2.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 60 MET H 1 61 ILE QG 2.923 . 4.746 4.218 4.061 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 60 MET HA 1 61 ILE H 2.426 . 3.452 3.513 3.481 3.538 0.086 38 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 60 MET HA 1 63 GLU H 2.720 . 3.740 3.572 3.385 3.780 0.040 27 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 60 MET QG 1 61 ILE H 2.675 . 4.250 3.169 2.047 3.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 61 ILE H 1 61 ILE HA 2.410 . 3.121 2.850 2.819 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 61 ILE H 1 61 ILE HB 2.197 . 3.494 2.460 2.344 2.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 61 ILE H 1 61 ILE MD 2.469 . 4.038 3.232 2.877 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 61 ILE H 1 61 ILE QG 2.341 . 3.382 2.279 2.063 2.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 61 ILE H 1 62 ASP H 3.109 . 5.000 2.663 2.409 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 61 ILE HA 1 62 ASP H 2.765 . 3.830 3.568 3.547 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 61 ILE HA 1 63 GLU H 3.080 . 4.460 4.218 4.058 4.485 0.025 33 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 61 ILE HA 1 64 VAL H 2.741 . 3.782 3.518 3.294 3.800 0.018 9 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 61 ILE HA 1 65 ASP H 2.199 . 5.000 3.555 2.720 4.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 61 ILE HB 1 62 ASP H 2.376 . 3.552 2.450 2.290 2.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 61 ILE MD 1 62 ASP H 2.547 . 4.294 3.139 2.863 3.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 61 ILE QG 1 62 ASP H 2.827 . 4.554 4.047 3.890 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 62 ASP H 1 62 ASP HA 2.408 . 3.116 2.798 2.775 2.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 62 ASP H 1 62 ASP HB2 2.457 . 3.614 2.327 2.120 3.629 0.015 9 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 62 ASP H 1 62 ASP HB3 2.457 . 3.614 3.185 2.521 3.620 0.006 21 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 62 ASP H 1 63 GLU H 2.397 . 3.094 2.752 2.656 2.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 62 ASP HA 1 63 GLU H 2.680 . 3.660 3.535 3.510 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 62 ASP HB2 1 63 GLU H 2.659 . 4.018 3.357 2.710 3.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 62 ASP HB3 1 63 GLU H 2.659 . 4.018 3.151 2.564 4.074 0.056 9 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 63 GLU H 1 63 GLU HA 2.407 . 3.114 2.866 2.802 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 63 GLU H 1 63 GLU QB 2.224 . 2.748 2.292 2.082 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 63 GLU H 1 63 GLU HG2 2.547 . 4.194 3.303 2.076 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 63 GLU H 1 63 GLU HG3 2.547 . 4.194 3.089 2.427 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 63 GLU H 1 64 VAL H 2.366 . 3.032 2.655 2.480 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 63 GLU H 1 64 VAL QG 2.739 . 5.300 3.769 3.587 3.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 63 GLU HA 1 64 VAL H 2.693 . 3.686 3.579 3.545 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 63 GLU QB 1 64 VAL H 2.358 . 3.816 2.567 2.309 3.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 63 GLU QG 1 64 VAL H 2.427 . 5.000 3.979 1.957 4.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 64 VAL H 1 64 VAL HA 2.414 . 3.128 2.864 2.804 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 64 VAL H 1 64 VAL HB 2.248 . 3.796 2.627 2.460 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 64 VAL H 1 64 VAL QG 2.184 . 2.668 1.998 1.928 2.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 64 VAL H 1 65 ASP H 2.251 . 2.802 2.613 2.409 2.893 0.091 39 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 64 VAL QG 1 65 ASP H 2.301 . 3.802 2.235 1.923 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 64 VAL QG 1 66 GLU H 5.000 . 5.700 4.194 4.020 4.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 64 VAL QG 1 80 MET H 2.431 . 3.362 2.471 2.194 2.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 64 VAL QG 1 80 MET QG 3.400 . 5.000 2.020 1.613 2.616 0.187 9 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 65 ASP H 1 65 ASP HA 2.422 . 3.144 2.861 2.773 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 65 ASP H 1 65 ASP HB2 2.199 . 3.098 2.168 2.063 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 65 ASP H 1 65 ASP HB3 2.199 . 3.098 3.108 2.936 3.182 0.084 24 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 65 ASP H 1 66 GLU H 2.788 . 4.376 4.297 3.987 4.407 0.031 27 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 65 ASP HA 1 66 GLU H 2.341 . 2.982 2.168 2.110 2.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 65 ASP HA 1 67 ASP H 2.467 . 5.000 3.737 3.499 4.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 65 ASP QB 1 66 GLU H 2.909 . 4.418 3.833 3.696 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 65 ASP QB 1 67 ASP H 2.707 . 5.100 4.025 3.675 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 65 ASP QB 1 68 GLY H 2.707 . 5.100 2.588 2.340 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 66 GLU H 1 66 GLU HA 2.407 . 3.114 2.835 2.794 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 66 GLU H 1 66 GLU QB 2.264 . 3.328 2.590 2.520 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 66 GLU H 1 66 GLU QG 2.583 . 3.466 1.997 1.863 2.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 66 GLU H 1 67 ASP H 2.490 . 3.280 2.659 2.461 2.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 66 GLU H 1 68 GLY H 3.350 . 5.000 3.983 3.787 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 66 GLU H 1 76 GLU QG 2.909 . 4.118 3.476 2.844 3.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 66 GLU HA 1 67 ASP H 2.535 . 3.670 3.536 3.492 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 66 GLU HA 1 68 GLY H 3.257 . 4.814 4.727 4.626 4.815 0.001 29 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 66 GLU QB 1 67 ASP H 2.389 . 3.878 2.860 2.354 3.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 66 GLU QB 1 68 GLY H 2.707 . 5.800 4.849 4.402 5.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 66 GLU QG 1 67 ASP H 2.842 . 4.184 3.051 1.853 3.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 67 ASP H 1 67 ASP HA 2.412 . 3.124 2.911 2.888 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 67 ASP H 1 67 ASP HB2 2.595 . 3.890 3.578 2.638 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 67 ASP H 1 67 ASP HB3 2.595 . 3.890 2.982 2.665 3.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 67 ASP H 1 68 GLY HA2 2.868 . 5.036 4.631 4.436 4.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 67 ASP H 1 68 GLY HA3 2.868 . 5.036 4.938 4.786 5.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 67 ASP H 1 69 SER H 2.644 . 4.488 4.438 4.232 4.531 0.043 22 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 67 ASP HA 1 68 GLY H 3.178 . 4.656 3.538 3.509 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 67 ASP HA 1 69 SER H 2.427 . 5.100 5.127 4.776 5.192 0.092 27 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 68 GLY H 1 68 GLY HA2 2.735 . 4.170 2.313 2.306 2.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 68 GLY H 1 68 GLY HA3 2.735 . 4.170 2.870 2.856 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 68 GLY H 1 69 SER H 2.850 . 4.000 2.569 2.436 2.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 68 GLY H 1 69 SER HA 3.350 . 5.000 5.045 5.008 5.069 0.069 33 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 68 GLY QA 1 69 SER H 2.826 . 3.952 2.641 2.602 2.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 68 GLY QA 1 70 GLY H 3.350 . 5.000 3.030 2.964 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 69 SER H 1 69 SER HA 2.404 . 3.108 2.905 2.875 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 69 SER H 1 69 SER QB 2.517 . 3.334 2.718 2.664 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 69 SER H 1 70 GLY H 2.814 . 3.928 2.595 2.435 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 69 SER H 1 71 THR H 2.659 . 4.418 3.440 3.240 3.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 69 SER HA 1 69 SER QB 2.800 . 2.800 2.185 2.167 2.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 69 SER QB 1 70 GLY H 3.350 . 5.000 3.874 3.574 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 69 SER QB 1 71 THR MG 5.000 . 5.000 3.441 3.197 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 70 GLY H 1 70 GLY HA2 2.675 . 4.050 2.327 2.305 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 70 GLY H 1 70 GLY HA3 2.675 . 4.050 2.893 2.859 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 70 GLY H 1 71 THR H 2.672 . 3.644 2.376 2.058 2.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 70 GLY H 1 71 THR MG 3.350 . 5.000 4.202 4.151 4.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 70 GLY QA 1 71 THR MG 5.000 . 5.000 3.204 3.139 3.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 70 GLY HA2 1 71 THR H 2.451 . 3.602 3.089 2.970 3.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 70 GLY HA3 1 71 THR H 2.451 . 3.602 3.450 3.397 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 71 THR H 1 71 THR HA 2.412 . 3.124 2.927 2.909 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 71 THR H 1 71 THR HB 2.535 . 4.070 3.931 3.896 3.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 71 THR H 1 71 THR MG 2.369 . 3.438 2.854 2.737 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 71 THR HA 1 72 VAL H 2.686 . 3.672 2.188 2.154 2.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 71 THR HB 1 72 VAL H 2.989 . 4.278 3.192 2.838 3.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 72 VAL H 1 72 VAL HB 2.971 . 4.242 2.714 2.644 2.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 72 VAL H 1 72 VAL MG1 3.067 . 4.834 3.831 3.806 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 72 VAL H 1 72 VAL MG2 3.067 . 4.834 2.183 2.046 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 72 VAL H 1 73 ASP H 3.157 . 4.614 4.406 4.306 4.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 72 VAL HA 1 73 ASP H 2.044 . 2.388 2.123 2.106 2.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 72 VAL HB 1 73 ASP H 2.700 . 4.100 4.133 4.075 4.177 0.077 36 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 72 VAL QG 1 73 ASP H 2.544 . 3.788 2.731 2.569 2.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 72 VAL QG 1 76 GLU H 2.753 . 5.000 3.720 3.670 3.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 72 VAL QG 1 76 GLU QB 5.000 . 5.000 1.970 1.888 2.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 72 VAL QG 1 77 PHE H 2.903 . 5.200 2.700 2.520 2.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 72 VAL MG1 1 77 PHE QD 5.000 . 5.200 2.262 2.068 2.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 72 VAL MG2 1 77 PHE QD 5.000 . 5.200 3.884 3.864 3.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 73 ASP H 1 73 ASP HA 2.414 . 3.128 2.917 2.907 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 73 ASP H 1 73 ASP HB2 2.634 . 3.968 2.403 2.174 2.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 73 ASP H 1 73 ASP HB3 2.634 . 3.968 3.518 2.766 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 73 ASP H 1 74 PHE H 2.819 . 4.638 4.606 4.581 4.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 73 ASP H 1 76 GLU H 3.109 . 5.000 3.484 3.430 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 73 ASP H 1 76 GLU HA 2.867 . 5.034 5.057 5.007 5.078 0.044 37 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 73 ASP H 1 76 GLU HB2 2.508 . 4.316 2.224 2.149 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 73 ASP H 1 76 GLU HB3 2.508 . 4.316 3.712 3.627 3.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 73 ASP H 1 76 GLU QG 2.645 . 3.590 3.067 2.876 3.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 73 ASP HA 1 74 PHE H 2.277 . 2.854 2.481 2.414 2.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 73 ASP HA 1 75 ASP H 3.097 . 4.494 4.308 4.156 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 73 ASP QB 1 74 PHE H 2.348 . 3.396 2.488 2.306 3.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 73 ASP QB 1 75 ASP H 2.829 . 3.958 2.582 2.309 2.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 74 PHE H 1 74 PHE HA 2.409 . 3.118 2.809 2.796 2.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 74 PHE H 1 74 PHE HB2 2.293 . 3.286 2.404 2.307 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 74 PHE H 1 74 PHE HB3 2.293 . 3.286 2.795 2.739 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 74 PHE H 1 74 PHE QD 2.560 . 4.520 4.052 3.928 4.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 74 PHE H 1 75 ASP H 2.530 . 3.360 2.716 2.632 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 74 PHE HA 1 74 PHE QD 2.800 . 3.400 1.900 1.848 1.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 74 PHE HA 1 74 PHE QE 3.400 . 5.000 4.104 4.058 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 74 PHE HA 1 75 ASP H 2.834 . 3.968 3.525 3.503 3.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 74 PHE HA 1 77 PHE H 2.520 . 3.340 3.236 3.143 3.342 0.002 40 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 74 PHE HA 1 77 PHE QD 3.400 . 5.000 3.371 3.274 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 74 PHE QB 1 75 ASP H 2.643 . 3.586 2.779 2.660 2.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 74 PHE HB2 1 74 PHE QD 2.800 . 3.000 2.719 2.699 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 74 PHE HB2 1 74 PHE QE 5.000 . 5.000 4.516 4.510 4.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
876 1 74 PHE HB3 1 74 PHE QD 2.800 . 3.000 2.322 2.313 2.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
877 1 74 PHE HB3 1 74 PHE QE 5.000 . 5.000 4.420 4.412 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
878 1 74 PHE QD 1 75 ASP H 2.859 . 5.000 4.400 4.251 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
879 1 74 PHE QD 1 77 PHE H 2.837 . 5.200 4.662 4.629 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
880 1 74 PHE QD 1 77 PHE HB2 3.400 . 3.600 3.240 3.213 3.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
881 1 74 PHE QD 1 77 PHE HB3 3.400 . 3.600 2.963 2.855 3.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
882 1 74 PHE QD 1 77 PHE QD 2.800 . 3.000 2.406 2.356 2.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
883 1 74 PHE QD 1 78 LEU MD1 5.000 . 5.000 3.065 2.889 3.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
884 1 74 PHE QD 1 78 LEU MD2 5.000 . 5.000 3.334 2.828 3.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
885 1 74 PHE QE 1 77 PHE QD 2.800 . 3.600 2.864 2.701 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
886 1 74 PHE QE 1 78 LEU QD 3.400 . 3.400 2.184 2.112 2.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
887 1 74 PHE QE 1 78 LEU HG 5.000 . 5.000 4.439 3.844 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
888 1 74 PHE HZ 1 78 LEU QD 3.400 . 4.200 2.342 2.240 2.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
889 1 75 ASP H 1 75 ASP HA 2.406 . 3.112 2.856 2.835 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
890 1 75 ASP H 1 75 ASP QB 2.343 . 3.386 2.337 2.208 2.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
891 1 75 ASP H 1 76 GLU H 2.368 . 3.036 2.584 2.538 2.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
892 1 75 ASP H 1 76 GLU QG 2.864 . 4.528 4.032 3.968 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
893 1 75 ASP H 1 77 PHE H 2.914 . 4.128 3.740 3.685 3.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
894 1 75 ASP HA 1 78 LEU H 5.000 . 5.000 3.784 3.627 3.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
895 1 75 ASP HA 1 78 LEU QD 5.000 . 5.000 3.543 2.797 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
896 1 75 ASP QB 1 76 GLU H 2.501 . 3.902 2.554 2.410 3.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
897 1 76 GLU H 1 76 GLU HA 2.409 . 3.118 2.873 2.850 2.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 1 76 GLU H 1 76 GLU QB 2.511 . 3.322 2.521 2.497 2.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
899 1 76 GLU H 1 76 GLU HG2 2.350 . 3.400 3.366 3.253 3.452 0.052 30 0 "[ . 1 . 2 . 3 . 4]" 1
900 1 76 GLU H 1 76 GLU HG3 2.350 . 3.400 2.063 2.016 2.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
901 1 76 GLU H 1 77 PHE H 2.425 . 3.150 2.464 2.358 2.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
902 1 76 GLU HA 1 77 PHE H 2.661 . 3.622 3.486 3.426 3.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
903 1 76 GLU HA 1 79 VAL H 2.640 . 3.580 3.454 3.333 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
904 1 76 GLU HB2 1 77 PHE H 2.627 . 4.154 2.914 2.753 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
905 1 76 GLU HB3 1 77 PHE H 2.627 . 4.154 3.985 3.866 4.161 0.007 37 0 "[ . 1 . 2 . 3 . 4]" 1
906 1 77 PHE H 1 77 PHE HA 2.413 . 3.126 2.834 2.810 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
907 1 77 PHE H 1 77 PHE HB2 2.310 . 3.320 2.170 2.106 2.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
908 1 77 PHE H 1 77 PHE HB3 2.310 . 3.320 2.921 2.875 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 1 77 PHE H 1 78 LEU H 2.519 . 3.338 2.716 2.559 2.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
910 1 77 PHE H 1 78 LEU QB 2.776 . 7.000 4.540 4.409 4.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
911 1 77 PHE H 1 79 VAL H 2.497 . 3.894 3.814 3.692 3.910 0.016 37 0 "[ . 1 . 2 . 3 . 4]" 1
912 1 77 PHE HA 1 77 PHE QD 2.800 . 2.800 1.645 1.616 1.687 0.184 11 0 "[ . 1 . 2 . 3 . 4]" 1
913 1 77 PHE HA 1 77 PHE QE 5.000 . 5.000 4.028 4.004 4.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
914 1 77 PHE HA 1 78 LEU H 2.717 . 3.734 3.569 3.559 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
915 1 77 PHE HA 1 79 VAL H 5.000 . 5.000 4.389 4.195 4.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
916 1 77 PHE HA 1 80 MET H 2.590 . 3.880 3.868 3.705 3.931 0.051 16 0 "[ . 1 . 2 . 3 . 4]" 1
917 1 77 PHE HB2 1 77 PHE QD 2.800 . 3.400 2.748 2.724 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
918 1 77 PHE HB2 1 77 PHE QE 5.000 . 5.000 4.516 4.508 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
919 1 77 PHE HB2 1 78 LEU H 2.771 . 4.242 3.333 3.245 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
920 1 77 PHE HB3 1 77 PHE QD 2.800 . 3.400 2.444 2.407 2.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
921 1 77 PHE HB3 1 77 PHE QE 5.000 . 5.000 4.441 4.429 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
922 1 77 PHE HB3 1 78 LEU H 2.771 . 4.242 2.327 2.225 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
923 1 77 PHE QD 1 78 LEU QD 5.000 . 5.000 3.286 3.195 3.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
924 1 77 PHE QD 1 80 MET ME 5.000 . 5.000 3.090 1.976 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 1 78 LEU H 1 78 LEU HA 2.412 . 3.124 2.856 2.827 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 1 78 LEU H 1 78 LEU QB 2.194 . 2.888 2.234 2.150 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 1 78 LEU H 1 78 LEU QD 2.509 . 3.318 2.319 2.203 2.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
928 1 78 LEU H 1 79 VAL H 2.441 . 3.182 2.563 2.476 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 1 78 LEU H 1 80 MET H 2.683 . 4.466 4.361 4.144 4.471 0.005 9 0 "[ . 1 . 2 . 3 . 4]" 1
930 1 78 LEU HA 1 78 LEU HG 3.400 . 3.600 2.794 2.600 3.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
931 1 78 LEU HA 1 79 VAL H 2.766 . 3.832 3.516 3.479 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 1 78 LEU HA 1 81 MET H 2.587 . 3.674 3.578 3.482 3.697 0.023 37 0 "[ . 1 . 2 . 3 . 4]" 1
933 1 78 LEU QB 1 79 VAL H 2.568 . 3.436 2.823 2.608 3.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
934 1 78 LEU QD 1 79 VAL H 2.875 . 5.400 3.927 3.855 4.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
935 1 79 VAL H 1 79 VAL HA 2.406 . 3.112 2.829 2.815 2.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
936 1 79 VAL H 1 79 VAL HB 2.245 . 3.290 2.229 2.151 3.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
937 1 79 VAL H 1 79 VAL QG 2.609 . 4.118 2.641 1.770 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
938 1 79 VAL H 1 80 MET H 2.385 . 3.070 2.701 2.483 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
939 1 79 VAL H 1 81 MET H 2.789 . 4.078 4.105 4.009 4.156 0.078 7 0 "[ . 1 . 2 . 3 . 4]" 1
940 1 79 VAL HA 1 79 VAL MG2 3.400 . 3.400 2.218 2.149 2.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
941 1 79 VAL HA 1 80 MET H 2.654 . 3.608 3.557 3.527 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
942 1 79 VAL HA 1 82 VAL H 2.707 . 3.714 3.519 3.336 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
943 1 79 VAL HA 1 82 VAL QG 5.000 . 5.000 2.123 1.790 2.407 0.010 14 0 "[ . 1 . 2 . 3 . 4]" 1
944 1 79 VAL HA 1 83 ARG H 5.000 . 5.000 4.186 3.701 4.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
945 1 79 VAL HB 1 80 MET H 2.338 . 3.276 2.706 2.547 3.384 0.108 39 0 "[ . 1 . 2 . 3 . 4]" 1
946 1 79 VAL QG 1 80 MET H 2.598 . 3.496 2.611 2.039 2.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
947 1 79 VAL QG 1 83 ARG H 5.000 . 5.000 3.574 3.441 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
948 1 80 MET H 1 80 MET HA 2.409 . 3.118 2.744 2.715 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
949 1 80 MET H 1 80 MET HB2 2.316 . 3.332 2.099 2.085 2.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
950 1 80 MET H 1 80 MET HB3 2.316 . 3.332 3.232 3.169 3.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
951 1 80 MET H 1 80 MET QG 2.606 . 3.912 3.497 3.455 3.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
952 1 80 MET H 1 81 MET H 2.457 . 3.214 2.890 2.826 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
953 1 80 MET H 1 83 ARG QG 2.853 . 4.206 3.756 3.512 3.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
954 1 80 MET HA 1 81 MET H 2.753 . 3.806 3.531 3.509 3.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
955 1 80 MET HA 1 83 ARG H 2.757 . 3.814 3.484 3.268 3.850 0.036 14 0 "[ . 1 . 2 . 3 . 4]" 1
956 1 80 MET HA 1 84 CYS H 2.427 . 5.200 4.361 3.709 5.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
957 1 80 MET HB2 1 81 MET H 2.613 . 3.926 3.520 3.409 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
958 1 80 MET HB3 1 81 MET H 2.613 . 3.926 3.050 2.885 3.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
959 1 81 MET H 1 81 MET HA 2.410 . 3.120 2.842 2.821 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
960 1 81 MET H 1 81 MET HB2 2.384 . 3.668 2.472 2.200 2.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
961 1 81 MET H 1 81 MET HB3 2.384 . 3.668 2.677 2.485 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
962 1 81 MET H 1 81 MET ME 2.665 . 4.830 4.017 3.773 4.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
963 1 81 MET H 1 81 MET HG2 2.418 . 4.736 4.426 2.889 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
964 1 81 MET H 1 81 MET HG3 2.418 . 4.736 4.397 3.892 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
965 1 81 MET H 1 82 VAL H 2.492 . 3.284 2.780 2.566 2.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
966 1 81 MET H 1 82 VAL QG 2.830 . 4.760 3.563 3.414 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
967 1 81 MET HA 1 84 CYS H 2.667 . 4.034 3.813 3.641 4.060 0.026 23 0 "[ . 1 . 2 . 3 . 4]" 1
968 1 81 MET QB 1 82 VAL H 2.612 . 3.524 2.236 2.128 2.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
969 1 82 VAL H 1 82 VAL HA 2.409 . 3.118 2.847 2.821 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
970 1 82 VAL H 1 82 VAL HB 2.352 . 3.804 3.625 3.613 3.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
971 1 82 VAL H 1 82 VAL MG1 2.313 . 3.726 2.228 2.116 2.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
972 1 82 VAL H 1 82 VAL MG2 2.313 . 3.726 1.976 1.891 2.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
973 1 82 VAL HA 1 82 VAL HB 2.800 . 5.000 2.490 2.460 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
974 1 82 VAL HA 1 83 ARG H 2.607 . 3.514 3.503 3.482 3.539 0.025 21 0 "[ . 1 . 2 . 3 . 4]" 1
975 1 82 VAL HA 1 85 MET H 2.706 . 3.712 3.219 2.948 3.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
976 1 82 VAL HA 1 86 LYS H 3.350 . 5.000 3.537 2.561 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
977 1 82 VAL HB 1 83 ARG H 2.563 . 3.826 3.866 3.833 3.900 0.074 24 0 "[ . 1 . 2 . 3 . 4]" 1
978 1 82 VAL QG 1 83 ARG H 2.592 . 3.484 2.152 2.072 2.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
979 1 82 VAL QG 1 84 CYS H 3.278 . 5.596 4.172 4.075 4.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
980 1 82 VAL QG 1 85 MET H 3.210 . 6.000 4.445 4.289 4.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
981 1 82 VAL QG 1 86 LYS H 3.350 . 5.900 4.275 3.799 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
982 1 83 ARG H 1 83 ARG HA 2.412 . 3.124 2.815 2.765 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
983 1 83 ARG H 1 83 ARG QB 2.394 . 3.588 2.391 2.283 2.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
984 1 83 ARG H 1 83 ARG QG 2.362 . 3.024 2.443 2.133 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
985 1 83 ARG H 1 84 CYS H 2.421 . 3.142 2.679 2.520 2.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
986 1 83 ARG HA 1 84 CYS H 2.732 . 3.764 3.527 3.480 3.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
987 1 83 ARG HA 1 85 MET H 3.209 . 5.000 4.545 4.026 5.011 0.011 10 0 "[ . 1 . 2 . 3 . 4]" 1
988 1 83 ARG HA 1 86 LYS H 3.350 . 5.000 3.963 3.210 4.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
989 1 83 ARG QB 1 84 CYS H 2.659 . 3.918 2.747 2.527 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
990 1 83 ARG QG 1 84 CYS H 2.951 . 5.000 4.063 1.867 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
991 1 84 CYS H 1 84 CYS HA 2.405 . 3.110 2.880 2.805 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
992 1 84 CYS H 1 84 CYS QB 2.335 . 2.970 2.297 2.136 2.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
993 1 84 CYS H 1 85 MET H 2.454 . 3.208 2.487 2.169 2.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
994 1 84 CYS H 1 85 MET QB 3.112 . 5.010 4.290 3.901 4.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
995 1 84 CYS QB 1 85 MET H 3.210 . 5.000 2.686 2.466 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
996 1 85 MET H 1 85 MET HA 2.405 . 3.110 2.862 2.813 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
997 1 85 MET H 1 85 MET HB2 2.550 . 3.800 2.289 2.126 2.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
998 1 85 MET H 1 85 MET HB3 2.550 . 3.800 3.093 2.700 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
999 1 85 MET H 1 85 MET QG 2.741 . 4.482 3.624 2.444 4.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1000 1 85 MET H 1 86 LYS H 2.789 . 3.879 2.678 2.260 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1001 1 85 MET HB2 1 86 LYS H 3.017 . 4.734 3.165 2.245 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1002 1 85 MET HB3 1 86 LYS H 3.017 . 4.734 2.608 2.054 3.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1003 1 85 MET HG2 1 86 LYS H 3.350 . 5.000 4.569 3.524 5.013 0.013 38 0 "[ . 1 . 2 . 3 . 4]" 1
1004 1 85 MET HG3 1 86 LYS H 3.350 . 5.000 4.690 4.052 5.053 0.053 12 0 "[ . 1 . 2 . 3 . 4]" 1
1005 1 86 LYS H 1 86 LYS HA 2.402 . 3.104 2.662 2.264 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1006 1 86 LYS H 1 86 LYS QB 2.559 . 3.718 2.741 2.234 3.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1007 1 86 LYS H 1 86 LYS QD 3.350 . 5.200 4.125 2.059 4.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1008 1 86 LYS H 1 86 LYS QG 2.799 . 4.998 3.972 2.225 4.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1009 1 86 LYS H 1 87 ASP H 3.015 . 4.530 4.227 3.503 4.605 0.075 14 0 "[ . 1 . 2 . 3 . 4]" 1
1010 1 86 LYS HA 1 86 LYS QD 5.000 . 5.000 3.172 1.972 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1011 1 86 LYS HA 1 87 ASP H 2.158 . 2.816 2.270 2.116 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1012 1 86 LYS HA 1 88 ASP H 3.350 . 5.000 4.100 3.184 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1013 1 86 LYS QB 1 88 ASP H 3.238 . 6.000 4.352 2.417 5.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1014 1 86 LYS QD 1 87 ASP H 3.076 . 4.997 3.381 2.023 4.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1015 1 86 LYS QG 1 87 ASP H 2.679 . 4.058 2.650 1.928 3.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1016 1 86 LYS QG 1 88 ASP H 3.350 . 5.200 3.731 2.048 4.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1017 1 87 ASP H 1 87 ASP HA 2.405 . 3.111 2.718 2.289 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1018 1 87 ASP H 1 87 ASP HB2 2.518 . 4.136 3.135 2.222 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1019 1 87 ASP H 1 87 ASP HB3 2.518 . 4.136 3.300 2.560 3.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1020 1 87 ASP H 1 88 ASP H 3.109 . 5.000 2.699 1.988 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1021 1 88 ASP H 1 88 ASP HA 2.402 . 3.105 2.753 2.286 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1022 1 88 ASP H 1 88 ASP HB2 2.744 . 4.188 3.110 2.297 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1023 1 88 ASP H 1 88 ASP HB3 2.744 . 4.188 3.463 2.652 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1024 1 88 ASP H 1 89 SER H 2.758 . 3.816 2.897 2.019 3.862 0.046 35 0 "[ . 1 . 2 . 3 . 4]" 1
1025 1 88 ASP HA 1 89 SER H 2.322 . 3.644 2.942 2.129 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1026 1 88 ASP QB 1 89 SER H 2.718 . 4.436 3.177 2.004 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1027 1 89 SER H 1 89 SER HA 2.408 . 3.116 2.817 2.279 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1028 1 89 SER H 1 89 SER QB 2.408 . 3.316 2.591 2.254 3.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1029 1 89 SER HA 1 89 SER QB 2.800 . 2.800 2.396 2.167 2.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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