NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624574 |
5utg   |
30246 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5utg
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 270
_Distance_constraint_stats_list.Viol_count 598
_Distance_constraint_stats_list.Viol_total 982.013
_Distance_constraint_stats_list.Viol_max 0.375
_Distance_constraint_stats_list.Viol_rms 0.0362
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0821
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 TRP 0.870 0.130 1 0 "[ . 1 . 2]"
1 7 VAL 1.805 0.253 10 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 3.499 0.252 14 0 "[ . 1 . 2]"
1 16 PHE 2.032 0.172 8 0 "[ . 1 . 2]"
1 17 GLU 3.478 0.252 14 0 "[ . 1 . 2]"
1 18 VAL 7.029 0.343 20 0 "[ . 1 . 2]"
1 19 ALA 8.919 0.343 20 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 0.832 0.120 15 0 "[ . 1 . 2]"
1 24 ILE 2.358 0.194 7 0 "[ . 1 . 2]"
1 25 ILE 1.563 0.365 4 0 "[ . 1 . 2]"
1 26 ALA 1.499 0.365 4 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PHE 1.527 0.168 1 0 "[ . 1 . 2]"
1 29 ASP 0.064 0.046 16 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.029 0.008 20 0 "[ . 1 . 2]"
1 34 LYS 0.029 0.008 20 0 "[ . 1 . 2]"
1 35 TRP 1.378 0.129 14 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.358 0.065 15 0 "[ . 1 . 2]"
1 39 HIS 0.358 0.065 15 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ARG 0.303 0.087 2 0 "[ . 1 . 2]"
1 42 THR 2.552 0.267 6 0 "[ . 1 . 2]"
1 43 LEU 2.249 0.267 6 0 "[ . 1 . 2]"
1 45 THR 0.488 0.222 15 0 "[ . 1 . 2]"
1 46 VAL 2.617 0.274 1 0 "[ . 1 . 2]"
1 47 GLN 0.094 0.024 12 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.488 0.222 15 0 "[ . 1 . 2]"
1 50 ALA 0.750 0.070 16 0 "[ . 1 . 2]"
1 51 LEU 3.189 0.375 17 0 "[ . 1 . 2]"
1 53 PHE 0.705 0.099 17 0 "[ . 1 . 2]"
1 54 VAL 4.695 0.375 17 0 "[ . 1 . 2]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TYR 0.193 0.074 15 0 "[ . 1 . 2]"
1 59 MET 2.254 0.276 20 0 "[ . 1 . 2]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.027 0.027 7 0 "[ . 1 . 2]"
1 63 TRP 0.389 0.126 11 0 "[ . 1 . 2]"
1 64 ALA 0.449 0.106 12 0 "[ . 1 . 2]"
1 65 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 0.667 0.184 9 0 "[ . 1 . 2]"
1 68 LEU 0.647 0.184 9 0 "[ . 1 . 2]"
1 69 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ILE 0.907 0.205 10 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 1.805 0.253 10 0 "[ . 1 . 2]"
1 77 LEU 0.744 0.241 6 0 "[ . 1 . 2]"
1 79 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 3.124 0.254 4 0 "[ . 1 . 2]"
1 85 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 TYR 0.056 0.056 6 0 "[ . 1 . 2]"
1 87 THR 0.011 0.011 7 0 "[ . 1 . 2]"
1 88 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.907 0.205 10 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ILE 0.554 0.102 11 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ILE 0.994 0.168 1 0 "[ . 1 . 2]"
1 100 ALA 1.378 0.129 14 0 "[ . 1 . 2]"
1 101 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 PHE 1.506 0.174 7 0 "[ . 1 . 2]"
1 103 TYR 0.058 0.036 2 0 "[ . 1 . 2]"
1 104 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.058 0.036 2 0 "[ . 1 . 2]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 MET 0.043 0.035 10 0 "[ . 1 . 2]"
1 112 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 TYR 3.785 0.175 11 0 "[ . 1 . 2]"
1 116 LEU 1.429 0.274 1 0 "[ . 1 . 2]"
1 118 TYR 3.476 0.275 19 0 "[ . 1 . 2]"
1 119 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ILE 4.946 0.275 19 0 "[ . 1 . 2]"
1 123 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 MET 1.086 0.254 5 0 "[ . 1 . 2]"
1 128 ALA 2.468 0.209 12 0 "[ . 1 . 2]"
1 129 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 VAL 0.292 0.054 4 0 "[ . 1 . 2]"
1 131 PRO 0.212 0.174 11 0 "[ . 1 . 2]"
1 132 VAL 2.354 0.276 20 0 "[ . 1 . 2]"
1 134 TYR 1.507 0.130 1 0 "[ . 1 . 2]"
1 135 MET 0.478 0.213 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 TRP HE1 1 64 ALA MB 5.500 . 5.500 4.918 3.326 5.606 0.106 12 0 "[ . 1 . 2]" 1
2 1 4 TRP HE1 1 134 TYR QB 3.860 . 3.860 3.606 2.645 3.990 0.130 1 0 "[ . 1 . 2]" 1
3 1 7 VAL HA 1 7 VAL QG 2.560 . 2.560 2.171 2.098 2.331 . 0 0 "[ . 1 . 2]" 1
4 1 7 VAL HB 1 8 GLU H 4.570 . 4.570 3.915 2.612 4.312 . 0 0 "[ . 1 . 2]" 1
5 1 7 VAL QG 1 76 ALA MB 4.610 . 4.610 4.696 4.529 4.863 0.253 10 0 "[ . 1 . 2]" 1
6 1 8 GLU HA 1 8 GLU QG 3.520 . 3.520 2.653 2.391 3.419 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLU HA 1 9 PRO QD 3.790 . 3.790 2.008 1.855 2.184 . 0 0 "[ . 1 . 2]" 1
8 1 10 LYS HA 1 10 LYS QB 2.740 . 2.740 2.384 2.180 2.535 . 0 0 "[ . 1 . 2]" 1
9 1 15 ALA H 1 15 ALA MB 3.470 . 3.470 2.185 2.084 2.245 . 0 0 "[ . 1 . 2]" 1
10 1 15 ALA H 1 16 PHE H 2.820 . 2.820 2.718 2.692 2.746 . 0 0 "[ . 1 . 2]" 1
11 1 15 ALA HA 1 16 PHE QB 5.450 . 5.450 5.410 5.357 5.472 0.022 5 0 "[ . 1 . 2]" 1
12 1 15 ALA HA 1 17 GLU H 3.980 . 3.980 4.154 4.038 4.232 0.252 14 0 "[ . 1 . 2]" 1
13 1 15 ALA MB 1 16 PHE HA 5.480 . 5.480 3.839 3.744 3.863 . 0 0 "[ . 1 . 2]" 1
14 1 16 PHE H 1 17 GLU H 2.820 . 2.820 2.516 2.416 2.596 . 0 0 "[ . 1 . 2]" 1
15 1 16 PHE QD 1 19 ALA MB 3.740 . 3.740 3.835 3.651 3.912 0.172 8 0 "[ . 1 . 2]" 1
16 1 16 PHE QE 1 83 VAL H 4.560 . 4.560 3.998 2.854 4.569 0.009 9 0 "[ . 1 . 2]" 1
17 1 17 GLU H 1 18 VAL H 3.590 . 3.590 2.638 2.561 2.744 . 0 0 "[ . 1 . 2]" 1
18 1 18 VAL H 1 18 VAL HB 4.070 . 4.070 2.802 2.408 3.670 . 0 0 "[ . 1 . 2]" 1
19 1 18 VAL H 1 19 ALA H 4.830 . 4.830 2.684 2.531 2.766 . 0 0 "[ . 1 . 2]" 1
20 1 18 VAL HA 1 19 ALA MB 5.190 . 5.190 5.016 4.987 5.034 . 0 0 "[ . 1 . 2]" 1
21 1 18 VAL HA 1 128 ALA HA 5.100 . 5.100 4.132 3.034 5.003 . 0 0 "[ . 1 . 2]" 1
22 1 18 VAL HA 1 128 ALA MB 5.500 . 5.500 4.866 4.114 5.560 0.060 18 0 "[ . 1 . 2]" 1
23 1 18 VAL HB 1 19 ALA H 4.260 . 4.260 3.078 2.468 3.978 . 0 0 "[ . 1 . 2]" 1
24 1 18 VAL HB 1 128 ALA MB 4.440 . 4.440 4.071 3.037 4.494 0.054 11 0 "[ . 1 . 2]" 1
25 1 18 VAL QG 1 19 ALA HA 3.430 . 3.430 3.234 3.073 3.467 0.037 2 0 "[ . 1 . 2]" 1
26 1 18 VAL QG 1 19 ALA MB 3.340 . 3.340 3.459 3.097 3.683 0.343 20 0 "[ . 1 . 2]" 1
27 1 18 VAL QG 1 128 ALA H 3.620 . 3.620 3.733 3.645 3.829 0.209 12 0 "[ . 1 . 2]" 1
28 1 18 VAL QG 1 132 VAL QG 4.850 . 4.850 4.666 3.123 4.996 0.146 15 0 "[ . 1 . 2]" 1
29 1 19 ALA H 1 19 ALA HA 2.820 . 2.820 2.812 2.773 2.828 0.008 19 0 "[ . 1 . 2]" 1
30 1 19 ALA H 1 19 ALA MB 2.760 . 2.760 2.187 2.049 2.238 . 0 0 "[ . 1 . 2]" 1
31 1 19 ALA H 1 83 VAL MG1 5.450 . 5.450 5.213 4.855 5.496 0.046 18 0 "[ . 1 . 2]" 1
32 1 19 ALA H 1 83 VAL QG 4.440 . 4.440 4.541 3.805 4.694 0.254 4 0 "[ . 1 . 2]" 1
33 1 19 ALA H 1 83 VAL MG2 5.450 . 5.450 5.044 3.880 5.312 . 0 0 "[ . 1 . 2]" 1
34 1 19 ALA MB 1 83 VAL HA 4.880 . 4.880 4.499 3.758 4.964 0.084 14 0 "[ . 1 . 2]" 1
35 1 19 ALA MB 1 83 VAL MG1 3.130 . 3.130 2.584 2.252 3.156 0.026 18 0 "[ . 1 . 2]" 1
36 1 19 ALA MB 1 83 VAL QG 2.670 . 2.670 2.389 1.961 2.620 . 0 0 "[ . 1 . 2]" 1
37 1 19 ALA MB 1 83 VAL MG2 3.130 . 3.130 2.959 1.980 3.173 0.043 15 0 "[ . 1 . 2]" 1
38 1 20 LEU H 1 21 LYS H 4.060 . 4.060 2.625 2.514 2.731 . 0 0 "[ . 1 . 2]" 1
39 1 22 VAL H 1 22 VAL HB 3.720 . 3.720 2.579 2.445 3.666 . 0 0 "[ . 1 . 2]" 1
40 1 22 VAL H 1 23 GLN H 4.210 . 4.210 2.703 2.649 2.735 . 0 0 "[ . 1 . 2]" 1
41 1 22 VAL HA 1 22 VAL QG 2.880 . 2.880 2.154 2.112 2.285 . 0 0 "[ . 1 . 2]" 1
42 1 23 GLN H 1 24 ILE QG 4.230 . 4.230 4.262 4.103 4.350 0.120 15 0 "[ . 1 . 2]" 1
43 1 24 ILE H 1 24 ILE QG 3.640 . 3.640 2.236 2.122 2.313 . 0 0 "[ . 1 . 2]" 1
44 1 24 ILE H 1 25 ILE H 4.210 . 4.210 2.683 2.507 2.841 . 0 0 "[ . 1 . 2]" 1
45 1 24 ILE HA 1 24 ILE MG 3.170 . 3.170 2.434 2.335 2.555 . 0 0 "[ . 1 . 2]" 1
46 1 24 ILE HA 1 28 PHE H 4.560 . 4.560 4.289 3.792 4.554 . 0 0 "[ . 1 . 2]" 1
47 1 24 ILE HA 1 28 PHE QD 5.500 . 5.500 4.048 2.726 5.082 . 0 0 "[ . 1 . 2]" 1
48 1 24 ILE HB 1 24 ILE MD 3.250 . 3.250 2.354 2.243 2.425 . 0 0 "[ . 1 . 2]" 1
49 1 24 ILE MD 1 24 ILE MG 3.770 . 3.770 2.015 1.813 2.221 . 0 0 "[ . 1 . 2]" 1
50 1 24 ILE MD 1 59 MET ME 2.610 . 2.610 2.529 2.004 2.804 0.194 7 0 "[ . 1 . 2]" 1
51 1 24 ILE MD 1 93 ILE MG 3.900 . 3.900 3.326 2.406 4.002 0.102 11 0 "[ . 1 . 2]" 1
52 1 24 ILE QG 1 25 ILE H 4.220 . 4.220 4.023 2.372 4.199 . 0 0 "[ . 1 . 2]" 1
53 1 24 ILE MG 1 28 PHE QD 4.560 . 4.560 2.515 2.022 4.041 . 0 0 "[ . 1 . 2]" 1
54 1 24 ILE MG 1 59 MET ME 3.750 . 3.750 2.699 2.012 3.839 0.089 2 0 "[ . 1 . 2]" 1
55 1 25 ILE H 1 26 ALA H 4.230 . 4.230 2.757 2.661 2.795 . 0 0 "[ . 1 . 2]" 1
56 1 25 ILE HA 1 25 ILE MD 4.210 . 4.210 3.256 2.120 4.168 . 0 0 "[ . 1 . 2]" 1
57 1 25 ILE HA 1 25 ILE MG 3.290 . 3.290 2.583 2.268 3.202 . 0 0 "[ . 1 . 2]" 1
58 1 25 ILE HB 1 25 ILE MD 3.250 . 3.250 2.630 2.235 3.231 . 0 0 "[ . 1 . 2]" 1
59 1 25 ILE HB 1 26 ALA H 3.450 . 3.450 2.952 2.630 3.815 0.365 4 0 "[ . 1 . 2]" 1
60 1 25 ILE MG 1 29 ASP H 5.500 . 5.500 4.226 3.850 5.507 0.007 16 0 "[ . 1 . 2]" 1
61 1 25 ILE MG 1 29 ASP QB 4.820 . 4.820 3.161 2.674 4.866 0.046 16 0 "[ . 1 . 2]" 1
62 1 26 ALA H 1 26 ALA MB 3.220 . 3.220 2.225 2.121 2.245 . 0 0 "[ . 1 . 2]" 1
63 1 26 ALA H 1 27 GLY H 4.440 . 4.440 2.774 2.748 2.814 . 0 0 "[ . 1 . 2]" 1
64 1 26 ALA MB 1 27 GLY H 3.940 . 3.940 2.494 2.451 2.535 . 0 0 "[ . 1 . 2]" 1
65 1 27 GLY H 1 28 PHE H 4.050 . 4.050 2.669 2.618 2.750 . 0 0 "[ . 1 . 2]" 1
66 1 28 PHE H 1 28 PHE QD 5.050 . 5.050 2.794 2.339 3.199 . 0 0 "[ . 1 . 2]" 1
67 1 28 PHE H 1 29 ASP H 5.130 . 5.130 2.526 2.454 2.623 . 0 0 "[ . 1 . 2]" 1
68 1 28 PHE HA 1 28 PHE QD 3.940 . 3.940 2.501 1.825 3.055 . 0 0 "[ . 1 . 2]" 1
69 1 28 PHE QD 1 58 TYR QE 3.930 . 3.930 3.741 3.154 4.004 0.074 15 0 "[ . 1 . 2]" 1
70 1 28 PHE QD 1 93 ILE MG 4.620 . 4.620 4.477 3.420 4.689 0.069 2 0 "[ . 1 . 2]" 1
71 1 28 PHE QD 1 97 ILE MG 2.940 . 2.940 2.858 2.073 3.108 0.168 1 0 "[ . 1 . 2]" 1
72 1 29 ASP H 1 30 ARG H 4.360 . 4.360 2.513 2.469 2.609 . 0 0 "[ . 1 . 2]" 1
73 1 31 GLY H 1 32 LEU H 4.580 . 4.580 2.636 2.422 2.761 . 0 0 "[ . 1 . 2]" 1
74 1 33 VAL H 1 34 LYS H 3.830 . 3.830 2.696 2.511 2.780 . 0 0 "[ . 1 . 2]" 1
75 1 33 VAL HA 1 33 VAL QG 2.920 . 2.920 2.178 2.112 2.300 . 0 0 "[ . 1 . 2]" 1
76 1 33 VAL HA 1 34 LYS H 3.560 . 3.560 3.535 3.482 3.568 0.008 20 0 "[ . 1 . 2]" 1
77 1 33 VAL QG 1 34 LYS H 4.220 . 4.220 2.795 2.052 3.228 . 0 0 "[ . 1 . 2]" 1
78 1 34 LYS H 1 34 LYS HA 2.910 . 2.910 2.817 2.803 2.828 . 0 0 "[ . 1 . 2]" 1
79 1 34 LYS H 1 34 LYS QB 2.550 . 2.550 2.366 2.240 2.407 . 0 0 "[ . 1 . 2]" 1
80 1 34 LYS H 1 35 TRP H 3.040 . 3.040 2.682 2.580 2.776 . 0 0 "[ . 1 . 2]" 1
81 1 34 LYS H 1 37 ARG QG 5.500 . 5.500 4.763 4.571 5.000 . 0 0 "[ . 1 . 2]" 1
82 1 34 LYS HA 1 37 ARG QD 3.280 . 3.280 2.609 2.224 3.118 . 0 0 "[ . 1 . 2]" 1
83 1 35 TRP H 1 36 LEU H 4.270 . 4.270 2.546 2.367 2.657 . 0 0 "[ . 1 . 2]" 1
84 1 35 TRP QB 1 36 LEU H 3.750 . 3.750 2.623 2.464 2.900 . 0 0 "[ . 1 . 2]" 1
85 1 35 TRP HD1 1 100 ALA HA 3.710 . 3.710 3.728 3.304 3.839 0.129 14 0 "[ . 1 . 2]" 1
86 1 35 TRP HD1 1 100 ALA MB 3.790 . 3.790 3.254 2.478 3.901 0.111 14 0 "[ . 1 . 2]" 1
87 1 36 LEU H 1 37 ARG H 3.330 . 3.330 2.718 2.669 2.775 . 0 0 "[ . 1 . 2]" 1
88 1 37 ARG H 1 37 ARG QB 3.570 . 3.570 2.406 2.362 2.529 . 0 0 "[ . 1 . 2]" 1
89 1 37 ARG H 1 38 VAL H 4.070 . 4.070 2.682 2.575 2.833 . 0 0 "[ . 1 . 2]" 1
90 1 37 ARG QB 1 37 ARG QD 2.400 . 2.400 2.240 2.121 2.312 . 0 0 "[ . 1 . 2]" 1
91 1 37 ARG QB 1 38 VAL H 4.070 . 4.070 3.078 2.677 3.734 . 0 0 "[ . 1 . 2]" 1
92 1 38 VAL H 1 38 VAL HB 3.970 . 3.970 2.562 2.434 3.714 . 0 0 "[ . 1 . 2]" 1
93 1 38 VAL H 1 39 HIS H 4.310 . 4.310 2.511 2.271 2.605 . 0 0 "[ . 1 . 2]" 1
94 1 38 VAL HB 1 39 HIS H 5.210 . 5.210 2.669 2.412 4.062 . 0 0 "[ . 1 . 2]" 1
95 1 38 VAL QG 1 39 HIS HA 4.940 . 4.940 3.545 3.346 3.754 . 0 0 "[ . 1 . 2]" 1
96 1 38 VAL QG 1 39 HIS HD2 3.370 . 3.370 3.303 2.592 3.435 0.065 15 0 "[ . 1 . 2]" 1
97 1 38 VAL QG 1 39 HIS HE1 4.260 . 4.260 3.484 2.988 4.126 . 0 0 "[ . 1 . 2]" 1
98 1 39 HIS H 1 40 GLY H 4.390 . 4.390 2.268 2.017 2.491 . 0 0 "[ . 1 . 2]" 1
99 1 41 ARG QB 1 42 THR MG 3.680 . 3.680 3.313 2.846 3.714 0.034 18 0 "[ . 1 . 2]" 1
100 1 41 ARG QD 1 42 THR MG 4.350 . 4.350 3.697 3.085 4.431 0.081 10 0 "[ . 1 . 2]" 1
101 1 41 ARG QG 1 42 THR MG 2.870 . 2.870 2.397 2.077 2.957 0.087 2 0 "[ . 1 . 2]" 1
102 1 42 THR HA 1 43 LEU H 3.140 . 3.140 3.252 3.123 3.407 0.267 6 0 "[ . 1 . 2]" 1
103 1 43 LEU H 1 43 LEU QD 4.270 . 4.270 3.427 3.132 3.721 . 0 0 "[ . 1 . 2]" 1
104 1 43 LEU HA 1 43 LEU QD 3.300 . 3.300 2.141 1.910 2.264 . 0 0 "[ . 1 . 2]" 1
105 1 45 THR HA 1 45 THR MG 3.090 . 3.090 2.425 2.231 2.472 . 0 0 "[ . 1 . 2]" 1
106 1 45 THR HB 1 46 VAL H 5.110 . 5.110 2.654 2.532 3.759 . 0 0 "[ . 1 . 2]" 1
107 1 45 THR HB 1 46 VAL QG 5.440 . 5.440 3.198 2.845 4.042 . 0 0 "[ . 1 . 2]" 1
108 1 45 THR MG 1 49 LYS QE 3.600 . 3.600 2.945 2.183 3.822 0.222 15 0 "[ . 1 . 2]" 1
109 1 46 VAL H 1 46 VAL QG 4.020 . 4.020 2.127 1.850 2.300 . 0 0 "[ . 1 . 2]" 1
110 1 46 VAL H 1 47 GLN H 4.850 . 4.850 2.609 2.451 2.665 . 0 0 "[ . 1 . 2]" 1
111 1 46 VAL H 1 47 GLN HA 5.250 . 5.250 5.221 5.074 5.274 0.024 12 0 "[ . 1 . 2]" 1
112 1 46 VAL HB 1 115 TYR H 5.500 . 5.500 5.501 5.164 5.675 0.175 11 0 "[ . 1 . 2]" 1
113 1 46 VAL HB 1 115 TYR QD 5.280 . 5.280 4.222 2.537 5.322 0.042 12 0 "[ . 1 . 2]" 1
114 1 46 VAL QG 1 115 TYR QB 3.520 . 3.520 1.944 1.721 2.634 . 0 0 "[ . 1 . 2]" 1
115 1 46 VAL QG 1 115 TYR QD 4.790 . 4.790 2.657 2.234 3.230 . 0 0 "[ . 1 . 2]" 1
116 1 46 VAL QG 1 115 TYR QE 4.410 . 4.410 3.859 2.988 4.494 0.084 9 0 "[ . 1 . 2]" 1
117 1 46 VAL QG 1 116 LEU H 4.690 . 4.690 4.742 4.515 4.964 0.274 1 0 "[ . 1 . 2]" 1
118 1 46 VAL MG1 1 115 TYR QE 5.300 . 5.300 4.533 3.979 5.250 . 0 0 "[ . 1 . 2]" 1
119 1 46 VAL MG2 1 115 TYR QE 5.300 . 5.300 4.430 3.022 5.279 . 0 0 "[ . 1 . 2]" 1
120 1 47 GLN H 1 48 LYS H 5.370 . 5.370 2.668 2.578 2.717 . 0 0 "[ . 1 . 2]" 1
121 1 50 ALA HA 1 115 TYR QD 4.510 . 4.510 4.503 3.937 4.580 0.070 16 0 "[ . 1 . 2]" 1
122 1 50 ALA MB 1 51 LEU QD 5.430 . 5.430 3.671 2.942 4.548 . 0 0 "[ . 1 . 2]" 1
123 1 50 ALA MB 1 115 TYR QD 3.830 . 3.830 3.068 2.101 3.865 0.035 10 0 "[ . 1 . 2]" 1
124 1 51 LEU H 1 51 LEU QD 4.660 . 4.660 3.083 2.438 3.696 . 0 0 "[ . 1 . 2]" 1
125 1 51 LEU HA 1 51 LEU QD 3.160 . 3.160 1.942 1.815 2.189 . 0 0 "[ . 1 . 2]" 1
126 1 51 LEU HA 1 54 VAL H 3.970 . 3.970 3.209 3.024 3.403 . 0 0 "[ . 1 . 2]" 1
127 1 51 LEU QD 1 54 VAL H 4.180 . 4.180 4.326 4.057 4.555 0.375 17 0 "[ . 1 . 2]" 1
128 1 51 LEU QD 1 54 VAL QG 3.850 . 3.850 2.629 2.224 3.039 . 0 0 "[ . 1 . 2]" 1
129 1 53 PHE QB 1 53 PHE HD1 2.870 . 2.870 2.514 2.424 2.862 . 0 0 "[ . 1 . 2]" 1
130 1 53 PHE HD1 1 122 ILE HB 4.610 . 4.610 3.949 2.746 4.688 0.078 15 0 "[ . 1 . 2]" 1
131 1 53 PHE HD1 1 122 ILE MG 3.610 . 3.610 3.182 2.036 3.667 0.057 10 0 "[ . 1 . 2]" 1
132 1 53 PHE HE1 1 122 ILE MD 4.300 . 4.300 3.578 2.019 4.399 0.099 17 0 "[ . 1 . 2]" 1
133 1 54 VAL H 1 55 ASN H 4.390 . 4.390 2.674 2.502 2.749 . 0 0 "[ . 1 . 2]" 1
134 1 54 VAL QG 1 55 ASN H 4.530 . 4.530 3.092 2.111 3.224 . 0 0 "[ . 1 . 2]" 1
135 1 54 VAL QG 1 102 PHE HD1 3.960 . 3.960 4.020 3.697 4.134 0.174 7 0 "[ . 1 . 2]" 1
136 1 56 ARG H 1 57 ARG H 4.040 . 4.040 2.691 2.620 2.774 . 0 0 "[ . 1 . 2]" 1
137 1 58 TYR HA 1 58 TYR QD 3.000 . 3.000 2.699 2.519 2.870 . 0 0 "[ . 1 . 2]" 1
138 1 59 MET H 1 59 MET QB 3.350 . 3.350 2.282 2.195 2.562 . 0 0 "[ . 1 . 2]" 1
139 1 59 MET QB 1 59 MET ME 3.710 . 3.710 2.705 2.140 3.616 . 0 0 "[ . 1 . 2]" 1
140 1 59 MET QB 1 132 VAL QG 5.440 . 5.440 5.098 4.127 5.716 0.276 20 0 "[ . 1 . 2]" 1
141 1 59 MET ME 1 132 VAL QG 3.400 . 3.400 3.308 2.717 3.585 0.185 10 0 "[ . 1 . 2]" 1
142 1 60 GLN H 1 60 GLN QG 2.970 . 2.970 2.321 2.073 2.413 . 0 0 "[ . 1 . 2]" 1
143 1 61 THR MG 1 135 MET ME 4.260 . 4.260 3.034 2.007 4.287 0.027 7 0 "[ . 1 . 2]" 1
144 1 63 TRP QB 1 64 ALA H 4.660 . 4.660 2.603 2.447 2.885 . 0 0 "[ . 1 . 2]" 1
145 1 63 TRP HE1 1 134 TYR QE 4.730 . 4.730 4.180 2.158 4.856 0.126 11 0 "[ . 1 . 2]" 1
146 1 64 ALA H 1 64 ALA MB 3.510 . 3.510 2.157 2.035 2.232 . 0 0 "[ . 1 . 2]" 1
147 1 64 ALA H 1 65 ASN H 4.470 . 4.470 2.792 2.738 2.833 . 0 0 "[ . 1 . 2]" 1
148 1 64 ALA MB 1 135 MET H 5.010 . 5.010 2.589 1.874 3.655 . 0 0 "[ . 1 . 2]" 1
149 1 64 ALA MB 1 135 MET HA 5.490 . 5.490 4.416 3.910 5.331 . 0 0 "[ . 1 . 2]" 1
150 1 64 ALA MB 1 135 MET QB 4.090 . 4.090 3.125 2.118 3.916 . 0 0 "[ . 1 . 2]" 1
151 1 64 ALA MB 1 135 MET QG 4.550 . 4.550 3.032 1.980 4.655 0.105 11 0 "[ . 1 . 2]" 1
152 1 65 ASN H 1 66 TYR H 3.040 . 3.040 2.740 2.671 2.848 . 0 0 "[ . 1 . 2]" 1
153 1 67 MET H 1 68 LEU H 3.240 . 3.240 2.897 2.841 2.990 . 0 0 "[ . 1 . 2]" 1
154 1 67 MET ME 1 68 LEU H 5.170 . 5.170 4.522 3.344 5.354 0.184 9 0 "[ . 1 . 2]" 1
155 1 67 MET ME 1 134 TYR QE 4.810 . 4.810 3.470 2.106 4.829 0.019 11 0 "[ . 1 . 2]" 1
156 1 69 TRP H 1 69 TRP HB2 3.870 . 3.870 2.432 2.318 2.566 . 0 0 "[ . 1 . 2]" 1
157 1 69 TRP H 1 69 TRP HB3 3.870 . 3.870 3.207 2.458 3.597 . 0 0 "[ . 1 . 2]" 1
158 1 69 TRP H 1 70 ILE H 3.440 . 3.440 2.646 2.559 2.775 . 0 0 "[ . 1 . 2]" 1
159 1 70 ILE H 1 70 ILE MG 4.780 . 4.780 3.420 2.293 3.783 . 0 0 "[ . 1 . 2]" 1
160 1 70 ILE H 1 71 ASN H 4.600 . 4.600 2.635 2.471 2.789 . 0 0 "[ . 1 . 2]" 1
161 1 70 ILE HB 1 71 ASN H 4.220 . 4.220 2.928 2.315 4.023 . 0 0 "[ . 1 . 2]" 1
162 1 70 ILE MG 1 71 ASN H 4.150 . 4.150 3.423 2.026 4.094 . 0 0 "[ . 1 . 2]" 1
163 1 71 ASN H 1 71 ASN QB 3.680 . 3.680 2.274 2.230 2.365 . 0 0 "[ . 1 . 2]" 1
164 1 71 ASN H 1 72 LYS H 4.140 . 4.140 2.750 2.716 2.816 . 0 0 "[ . 1 . 2]" 1
165 1 73 LYS H 1 74 ILE H 3.060 . 3.060 2.676 2.621 2.736 . 0 0 "[ . 1 . 2]" 1
166 1 74 ILE H 1 74 ILE HB 3.520 . 3.520 2.442 2.418 2.488 . 0 0 "[ . 1 . 2]" 1
167 1 74 ILE H 1 75 ASP H 4.300 . 4.300 2.727 2.697 2.769 . 0 0 "[ . 1 . 2]" 1
168 1 74 ILE HA 1 74 ILE MD 4.260 . 4.260 3.487 2.091 3.836 . 0 0 "[ . 1 . 2]" 1
169 1 74 ILE MD 1 74 ILE MG 3.370 . 3.370 1.996 1.874 2.157 . 0 0 "[ . 1 . 2]" 1
170 1 74 ILE MD 1 89 LEU QD 3.820 . 3.820 3.786 2.800 4.025 0.205 10 0 "[ . 1 . 2]" 1
171 1 75 ASP H 1 75 ASP QB 3.010 . 3.010 2.281 2.255 2.362 . 0 0 "[ . 1 . 2]" 1
172 1 75 ASP H 1 76 ALA H 2.780 . 2.780 2.734 2.700 2.760 . 0 0 "[ . 1 . 2]" 1
173 1 75 ASP QB 1 76 ALA H 4.120 . 4.120 2.532 2.465 2.662 . 0 0 "[ . 1 . 2]" 1
174 1 76 ALA H 1 76 ALA MB 2.940 . 2.940 2.188 2.119 2.232 . 0 0 "[ . 1 . 2]" 1
175 1 76 ALA H 1 77 LEU H 4.230 . 4.230 2.700 2.663 2.725 . 0 0 "[ . 1 . 2]" 1
176 1 77 LEU H 1 77 LEU HA 2.820 . 2.820 2.845 2.830 2.864 0.044 17 0 "[ . 1 . 2]" 1
177 1 77 LEU H 1 77 LEU QB 2.530 . 2.530 2.307 2.123 2.365 . 0 0 "[ . 1 . 2]" 1
178 1 77 LEU H 1 77 LEU QD 4.110 . 4.110 3.094 2.457 3.702 . 0 0 "[ . 1 . 2]" 1
179 1 77 LEU H 1 77 LEU HG 4.170 . 4.170 2.918 2.467 4.411 0.241 6 0 "[ . 1 . 2]" 1
180 1 77 LEU HA 1 77 LEU QD 4.060 . 4.060 2.271 2.152 2.541 . 0 0 "[ . 1 . 2]" 1
181 1 77 LEU QB 1 79 ARG H 4.210 . 4.210 2.418 2.236 2.903 . 0 0 "[ . 1 . 2]" 1
182 1 80 THR H 1 80 THR MG 3.310 . 3.310 2.720 2.144 3.018 . 0 0 "[ . 1 . 2]" 1
183 1 80 THR HA 1 81 PRO QD 3.480 . 3.480 1.965 1.866 2.039 . 0 0 "[ . 1 . 2]" 1
184 1 82 VAL H 1 82 VAL HB 3.770 . 3.770 3.641 2.860 3.706 . 0 0 "[ . 1 . 2]" 1
185 1 82 VAL H 1 82 VAL QG 3.920 . 3.920 2.023 1.946 2.264 . 0 0 "[ . 1 . 2]" 1
186 1 82 VAL HB 1 85 ASP H 5.180 . 5.180 4.077 3.451 4.601 . 0 0 "[ . 1 . 2]" 1
187 1 82 VAL QG 1 85 ASP H 3.930 . 3.930 1.962 1.844 2.279 . 0 0 "[ . 1 . 2]" 1
188 1 83 VAL HA 1 83 VAL QG 2.970 . 2.970 2.170 2.138 2.282 . 0 0 "[ . 1 . 2]" 1
189 1 85 ASP H 1 86 TYR H 2.690 . 2.690 2.614 2.431 2.664 . 0 0 "[ . 1 . 2]" 1
190 1 86 TYR H 1 86 TYR QD 4.100 . 4.100 2.818 2.413 4.156 0.056 6 0 "[ . 1 . 2]" 1
191 1 86 TYR H 1 87 THR H 3.960 . 3.960 2.658 2.578 2.729 . 0 0 "[ . 1 . 2]" 1
192 1 86 TYR QB 1 87 THR H 4.280 . 4.280 2.746 2.623 3.018 . 0 0 "[ . 1 . 2]" 1
193 1 86 TYR QD 1 87 THR H 4.960 . 4.960 4.502 4.030 4.657 . 0 0 "[ . 1 . 2]" 1
194 1 87 THR H 1 87 THR HB 3.930 . 3.930 3.038 2.219 3.650 . 0 0 "[ . 1 . 2]" 1
195 1 87 THR H 1 87 THR MG 2.770 . 2.770 2.453 2.125 2.781 0.011 7 0 "[ . 1 . 2]" 1
196 1 87 THR H 1 88 ARG H 2.990 . 2.990 2.686 2.598 2.795 . 0 0 "[ . 1 . 2]" 1
197 1 87 THR H 1 88 ARG QB 4.930 . 4.930 4.543 4.344 4.731 . 0 0 "[ . 1 . 2]" 1
198 1 88 ARG H 1 88 ARG QB 3.290 . 3.290 2.306 2.246 2.402 . 0 0 "[ . 1 . 2]" 1
199 1 89 LEU H 1 89 LEU QB 2.640 . 2.640 2.345 2.225 2.382 . 0 0 "[ . 1 . 2]" 1
200 1 89 LEU H 1 89 LEU QD 4.270 . 4.270 3.161 2.235 3.686 . 0 0 "[ . 1 . 2]" 1
201 1 89 LEU H 1 90 GLY H 4.160 . 4.160 2.586 2.524 2.669 . 0 0 "[ . 1 . 2]" 1
202 1 90 GLY H 1 91 ALA H 4.380 . 4.380 2.729 2.692 2.783 . 0 0 "[ . 1 . 2]" 1
203 1 91 ALA H 1 91 ALA MB 3.500 . 3.500 2.203 2.132 2.236 . 0 0 "[ . 1 . 2]" 1
204 1 91 ALA H 1 92 GLU H 3.850 . 3.850 2.701 2.677 2.747 . 0 0 "[ . 1 . 2]" 1
205 1 93 ILE HA 1 93 ILE MD 4.470 . 4.470 3.405 2.110 3.844 . 0 0 "[ . 1 . 2]" 1
206 1 93 ILE HA 1 93 ILE MG 3.120 . 3.120 2.487 2.421 2.562 . 0 0 "[ . 1 . 2]" 1
207 1 93 ILE HB 1 94 GLY H 3.950 . 3.950 2.627 2.550 2.679 . 0 0 "[ . 1 . 2]" 1
208 1 93 ILE MD 1 93 ILE MG 3.810 . 3.810 2.065 1.874 2.191 . 0 0 "[ . 1 . 2]" 1
209 1 95 ARG H 1 95 ARG QB 3.230 . 3.230 2.362 2.246 2.414 . 0 0 "[ . 1 . 2]" 1
210 1 95 ARG H 1 96 ARG H 2.930 . 2.930 2.461 2.421 2.540 . 0 0 "[ . 1 . 2]" 1
211 1 100 ALA H 1 101 TYR H 4.220 . 4.220 2.693 2.638 2.746 . 0 0 "[ . 1 . 2]" 1
212 1 102 PHE H 1 103 TYR H 4.430 . 4.430 2.782 2.634 2.860 . 0 0 "[ . 1 . 2]" 1
213 1 103 TYR H 1 104 ASP H 4.360 . 4.360 2.722 2.615 2.803 . 0 0 "[ . 1 . 2]" 1
214 1 103 TYR QB 1 104 ASP H 3.990 . 3.990 2.545 2.430 2.797 . 0 0 "[ . 1 . 2]" 1
215 1 103 TYR QB 1 105 ALA H 4.800 . 4.800 4.736 4.668 4.836 0.036 2 0 "[ . 1 . 2]" 1
216 1 104 ASP H 1 105 ALA H 4.430 . 4.430 2.694 2.610 2.773 . 0 0 "[ . 1 . 2]" 1
217 1 105 ALA H 1 105 ALA MB 3.430 . 3.430 2.182 2.049 2.239 . 0 0 "[ . 1 . 2]" 1
218 1 105 ALA H 1 106 LEU H 4.450 . 4.450 2.700 2.638 2.737 . 0 0 "[ . 1 . 2]" 1
219 1 106 LEU H 1 107 LYS H 5.140 . 5.140 2.704 2.628 2.833 . 0 0 "[ . 1 . 2]" 1
220 1 107 LYS H 1 108 ASP H 5.210 . 5.210 2.675 2.612 2.717 . 0 0 "[ . 1 . 2]" 1
221 1 108 ASP H 1 109 LYS H 4.320 . 4.320 2.781 2.755 2.824 . 0 0 "[ . 1 . 2]" 1
222 1 110 ASN H 1 111 MET H 4.020 . 4.020 2.803 2.701 2.918 . 0 0 "[ . 1 . 2]" 1
223 1 111 MET H 1 111 MET QG 4.520 . 4.520 3.096 2.649 4.223 . 0 0 "[ . 1 . 2]" 1
224 1 111 MET H 1 112 ILE H 4.400 . 4.400 4.093 3.486 4.397 . 0 0 "[ . 1 . 2]" 1
225 1 111 MET HA 1 111 MET ME 4.550 . 4.550 3.852 2.238 4.585 0.035 10 0 "[ . 1 . 2]" 1
226 1 112 ILE H 1 112 ILE HB 2.880 . 2.880 2.524 2.501 2.533 . 0 0 "[ . 1 . 2]" 1
227 1 112 ILE H 1 112 ILE MD 3.880 . 3.880 3.602 3.465 3.670 . 0 0 "[ . 1 . 2]" 1
228 1 112 ILE H 1 112 ILE QG 2.920 . 2.920 2.421 2.274 2.484 . 0 0 "[ . 1 . 2]" 1
229 1 112 ILE HA 1 112 ILE MG 3.450 . 3.450 2.437 2.399 2.468 . 0 0 "[ . 1 . 2]" 1
230 1 112 ILE QG 1 112 ILE MG 2.670 . 2.670 2.260 2.203 2.347 . 0 0 "[ . 1 . 2]" 1
231 1 114 LYS HA 1 115 TYR H 2.910 . 2.910 2.208 2.124 2.353 . 0 0 "[ . 1 . 2]" 1
232 1 115 TYR H 1 115 TYR HA 2.730 . 2.730 2.827 2.820 2.831 0.101 19 0 "[ . 1 . 2]" 1
233 1 115 TYR QD 1 116 LEU H 4.700 . 4.700 4.014 3.492 4.651 . 0 0 "[ . 1 . 2]" 1
234 1 116 LEU HA 1 116 LEU QD 4.240 . 4.240 2.183 2.040 2.524 . 0 0 "[ . 1 . 2]" 1
235 1 118 TYR HA 1 118 TYR QD 2.720 . 2.720 2.585 2.041 2.810 0.090 11 0 "[ . 1 . 2]" 1
236 1 118 TYR HA 1 118 TYR QE 4.790 . 4.790 4.523 4.319 4.597 . 0 0 "[ . 1 . 2]" 1
237 1 118 TYR QD 1 122 ILE MD 4.080 . 4.080 3.545 2.176 4.075 . 0 0 "[ . 1 . 2]" 1
238 1 118 TYR QE 1 122 ILE H 4.850 . 4.850 5.005 4.873 5.125 0.275 19 0 "[ . 1 . 2]" 1
239 1 118 TYR QE 1 122 ILE HB 5.500 . 5.500 4.927 2.993 5.529 0.029 1 0 "[ . 1 . 2]" 1
240 1 118 TYR QE 1 122 ILE MD 4.820 . 4.820 2.539 2.048 3.290 . 0 0 "[ . 1 . 2]" 1
241 1 119 MET H 1 120 GLU H 4.110 . 4.110 2.703 2.626 2.796 . 0 0 "[ . 1 . 2]" 1
242 1 120 GLU H 1 121 GLU H 4.240 . 4.240 2.675 2.631 2.703 . 0 0 "[ . 1 . 2]" 1
243 1 120 GLU HA 1 121 GLU QB 5.460 . 5.460 5.393 5.194 5.455 . 0 0 "[ . 1 . 2]" 1
244 1 121 GLU QB 1 122 ILE H 2.990 . 2.990 2.576 2.474 2.684 . 0 0 "[ . 1 . 2]" 1
245 1 121 GLU QB 1 122 ILE HA 4.490 . 4.490 3.935 3.848 4.161 . 0 0 "[ . 1 . 2]" 1
246 1 122 ILE H 1 122 ILE MG 3.900 . 3.900 3.550 2.314 3.766 . 0 0 "[ . 1 . 2]" 1
247 1 122 ILE H 1 123 ASN H 3.910 . 3.910 2.727 2.540 2.883 . 0 0 "[ . 1 . 2]" 1
248 1 122 ILE HA 1 122 ILE MD 4.040 . 4.040 2.696 2.076 3.825 . 0 0 "[ . 1 . 2]" 1
249 1 122 ILE HB 1 123 ASN H 5.090 . 5.090 2.800 2.514 4.062 . 0 0 "[ . 1 . 2]" 1
250 1 122 ILE MD 1 125 MET ME 4.130 . 4.130 3.546 2.193 4.270 0.140 17 0 "[ . 1 . 2]" 1
251 1 122 ILE MD 1 125 MET QG 5.230 . 5.230 4.599 3.253 5.484 0.254 5 0 "[ . 1 . 2]" 1
252 1 122 ILE MG 1 123 ASN HA 4.680 . 4.680 3.385 3.239 3.478 . 0 0 "[ . 1 . 2]" 1
253 1 123 ASN H 1 124 ARG H 3.040 . 3.040 2.689 2.461 2.747 . 0 0 "[ . 1 . 2]" 1
254 1 125 MET H 1 125 MET QG 2.950 . 2.950 2.416 2.087 2.659 . 0 0 "[ . 1 . 2]" 1
255 1 125 MET HA 1 125 MET QB 2.730 . 2.730 2.359 2.172 2.407 . 0 0 "[ . 1 . 2]" 1
256 1 129 ASP H 1 130 VAL H 3.870 . 3.870 2.428 2.292 2.545 . 0 0 "[ . 1 . 2]" 1
257 1 130 VAL H 1 130 VAL HB 3.780 . 3.780 2.624 2.509 3.679 . 0 0 "[ . 1 . 2]" 1
258 1 130 VAL H 1 130 VAL MG1 3.800 . 3.800 3.679 2.228 3.838 0.038 11 0 "[ . 1 . 2]" 1
259 1 130 VAL H 1 130 VAL MG2 3.800 . 3.800 2.453 2.130 3.854 0.054 4 0 "[ . 1 . 2]" 1
260 1 130 VAL HA 1 130 VAL MG1 3.300 . 3.300 2.462 2.271 3.210 . 0 0 "[ . 1 . 2]" 1
261 1 130 VAL HA 1 130 VAL QG 2.490 . 2.490 2.163 2.108 2.328 . 0 0 "[ . 1 . 2]" 1
262 1 130 VAL HA 1 130 VAL MG2 3.300 . 3.300 2.438 2.321 3.203 . 0 0 "[ . 1 . 2]" 1
263 1 131 PRO HA 1 132 VAL H 3.090 . 3.090 2.284 2.173 2.377 . 0 0 "[ . 1 . 2]" 1
264 1 131 PRO QB 1 132 VAL H 2.970 . 2.970 2.824 2.535 3.144 0.174 11 0 "[ . 1 . 2]" 1
265 1 132 VAL H 1 132 VAL QG 3.640 . 3.640 2.460 2.078 2.870 . 0 0 "[ . 1 . 2]" 1
266 1 132 VAL QG 1 134 TYR QE 3.890 . 3.890 3.603 2.405 3.979 0.089 18 0 "[ . 1 . 2]" 1
267 1 134 TYR H 1 134 TYR QD 4.400 . 4.400 2.811 2.404 3.338 . 0 0 "[ . 1 . 2]" 1
268 1 134 TYR H 1 135 MET H 4.850 . 4.850 4.491 3.835 4.615 . 0 0 "[ . 1 . 2]" 1
269 1 135 MET H 1 135 MET QG 3.870 . 3.870 2.565 1.947 4.083 0.213 20 0 "[ . 1 . 2]" 1
270 1 135 MET ME 1 135 MET QG 3.560 . 3.560 2.268 2.140 2.394 . 0 0 "[ . 1 . 2]" 1
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