Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
411761 | 2avg RC | 6015 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2avg
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 659
_Distance_constraint_stats_list.Viol_count 5155
_Distance_constraint_stats_list.Viol_total 31902.789
_Distance_constraint_stats_list.Viol_max 1.806
_Distance_constraint_stats_list.Viol_rms 0.1404
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0576
_Distance_constraint_stats_list.Viol_average_violations_only 0.2134
_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 11 ASP 13.003 0.836 23 11 "[ .* 1*- *.* 2 *+*.*** ]"
1 12 ASP 8.531 0.426 19 0 "[ . 1 . 2 . ]"
1 13 PRO 0.044 0.044 9 0 "[ . 1 . 2 . ]"
1 14 ILE 1.264 0.056 12 0 "[ . 1 . 2 . ]"
1 15 GLY 1.219 0.056 12 0 "[ . 1 . 2 . ]"
1 16 LEU 0.011 0.009 7 0 "[ . 1 . 2 . ]"
1 17 PHE 3.863 0.174 25 0 "[ . 1 . 2 . ]"
1 18 VAL 3.852 0.174 25 0 "[ . 1 . 2 . ]"
1 19 MET 5.681 0.263 26 0 "[ . 1 . 2 . ]"
1 20 ARG 7.057 0.263 26 0 "[ . 1 . 2 . ]"
1 22 GLN 4.180 0.193 23 0 "[ . 1 . 2 . ]"
1 23 ASP 25.736 0.464 29 0 "[ . 1 . 2 . ]"
1 24 GLY 25.327 0.464 29 0 "[ . 1 . 2 . ]"
1 25 GLU 10.634 0.253 12 0 "[ . 1 . 2 . ]"
1 26 VAL 31.299 0.466 24 0 "[ . 1 . 2 . ]"
1 27 THR 23.174 0.466 24 0 "[ . 1 . 2 . ]"
1 28 VAL 34.334 0.656 21 6 "[ ** - 1 . * 2+ . *]"
1 29 GLY 23.441 0.656 21 6 "[ ** - 1 . * 2+ . *]"
1 30 GLY 26.572 1.005 24 1 "[ . 1 . 2 +. ]"
1 31 SER 62.527 1.005 24 3 "[ . -1 . * +. ]"
1 32 ILE 46.494 0.478 24 0 "[ . 1 . 2 . ]"
1 33 THR 34.212 0.470 25 0 "[ . 1 . 2 . ]"
1 34 PHE 37.612 0.433 20 0 "[ . 1 . 2 . ]"
1 35 SER 31.514 0.433 20 0 "[ . 1 . 2 . ]"
1 36 ALA 13.823 0.375 16 0 "[ . 1 . 2 . ]"
1 37 ARG 0.002 0.002 23 0 "[ . 1 . 2 . ]"
1 38 VAL 9.654 0.302 1 0 "[ . 1 . 2 . ]"
1 39 ALA 15.493 0.302 1 0 "[ . 1 . 2 . ]"
1 40 GLY 5.725 0.250 29 0 "[ . 1 . 2 . ]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 43 LEU 5.544 0.388 16 0 "[ . 1 . 2 . ]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 47 PRO 8.925 0.562 17 2 "[ . 1 . + 2 . - ]"
1 48 VAL 30.245 0.785 27 5 "[ . ** . * 2 - + ]"
1 49 VAL 45.335 0.785 27 4 "[ . ** . - 2 . + ]"
1 50 LYS 40.699 0.429 25 0 "[ . 1 . 2 . ]"
1 51 TRP 70.920 1.806 5 29 [****+***********************-]
1 52 PHE 3.813 0.611 27 1 "[ . 1 . 2 . + ]"
1 53 LYS 14.786 0.611 27 1 "[ . 1 . 2 . + ]"
1 54 GLY 10.163 0.391 27 0 "[ . 1 . 2 . ]"
1 55 LYS 7.288 0.825 29 3 "[ .- 1 *. 2 . +]"
1 56 TRP 9.224 0.825 29 3 "[ .- 1 *. 2 . +]"
1 57 VAL 27.232 0.507 26 1 "[ . 1 . 2 .+ ]"
1 58 ASP 35.398 0.507 26 1 "[ . 1 . 2 .+ ]"
1 59 LEU 19.263 0.425 9 0 "[ . 1 . 2 . ]"
1 60 SER 5.725 0.413 2 0 "[ . 1 . 2 . ]"
1 61 SER 9.022 0.379 23 0 "[ . 1 . 2 . ]"
1 62 LYS 24.513 0.387 16 0 "[ . 1 . 2 . ]"
1 63 VAL 17.263 0.402 11 0 "[ . 1 . 2 . ]"
1 64 GLY 9.445 0.539 14 1 "[ . 1 +. 2 . ]"
1 66 HIS 11.487 0.386 28 0 "[ . 1 . 2 . ]"
1 67 LEU 34.253 0.598 10 5 "[ . + * . 2 * * - ]"
1 68 GLN 31.625 0.539 14 1 "[ . 1 +. 2 . ]"
1 69 LEU 24.319 0.740 29 1 "[ . 1 . 2 . +]"
1 70 HIS 38.761 0.775 1 29 [+-***************************]
1 71 ASP 34.392 0.775 1 29 [+-***************************]
1 72 SER 15.342 0.923 17 1 "[ . 1 . + 2 . ]"
1 73 TYR 25.420 0.923 17 2 "[ . 1 -. + 2 . ]"
1 74 ASP 21.381 0.645 14 1 "[ . 1 +. 2 . ]"
1 75 ARG 4.515 0.278 14 0 "[ . 1 . 2 . ]"
1 76 ALA 7.598 0.169 21 0 "[ . 1 . 2 . ]"
1 77 SER 4.791 0.169 21 0 "[ . 1 . 2 . ]"
1 78 LYS 8.720 0.487 19 0 "[ . 1 . 2 . ]"
1 79 VAL 23.559 0.452 8 0 "[ . 1 . 2 . ]"
1 80 TYR 34.364 0.459 19 0 "[ . 1 . 2 . ]"
1 81 LEU 78.490 1.806 5 29 [****+******************-*****]
1 82 PHE 31.248 0.410 19 0 "[ . 1 . 2 . ]"
1 83 GLU 39.403 0.410 19 0 "[ . 1 . 2 . ]"
1 84 LEU 50.229 0.474 13 0 "[ . 1 . 2 . ]"
1 85 HIS 23.186 0.455 1 0 "[ . 1 . 2 . ]"
1 86 ILE 46.094 0.474 13 0 "[ . 1 . 2 . ]"
1 87 THR 41.089 0.485 22 0 "[ . 1 . 2 . ]"
1 88 ASP 24.156 0.485 22 0 "[ . 1 . 2 . ]"
1 89 ALA 2.682 0.229 13 0 "[ . 1 . 2 . ]"
1 90 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 92 ALA 0.790 0.123 13 0 "[ . 1 . 2 . ]"
1 93 PHE 6.328 0.311 28 0 "[ . 1 . 2 . ]"
1 94 THR 63.436 1.620 6 29 [*****+*******-***************]
1 95 GLY 57.397 1.620 6 28 "[***-*+******* ***************]"
1 96 GLY 18.781 0.879 8 1 "[ . + 1 . 2 . ]"
1 97 TYR 17.790 0.348 21 0 "[ . 1 . 2 . ]"
1 98 ARG 1.794 0.235 17 0 "[ . 1 . 2 . ]"
1 99 CYS 4.707 0.244 16 0 "[ . 1 . 2 . ]"
1 100 GLU 6.704 0.203 15 0 "[ . 1 . 2 . ]"
1 101 VAL 4.200 0.508 25 1 "[ . 1 . 2 + ]"
1 102 SER 13.097 0.305 13 0 "[ . 1 . 2 . ]"
1 103 THR 7.917 0.196 2 0 "[ . 1 . 2 . ]"
1 104 LYS 3.633 0.265 11 0 "[ . 1 . 2 . ]"
1 105 ASP 14.996 0.398 23 0 "[ . 1 . 2 . ]"
1 106 LYS 19.521 0.398 23 0 "[ . 1 . 2 . ]"
1 107 PHE 14.126 0.347 11 0 "[ . 1 . 2 . ]"
1 108 ASP 10.142 0.347 11 0 "[ . 1 . 2 . ]"
1 109 CYS 4.687 0.169 22 0 "[ . 1 . 2 . ]"
1 110 SER 4.982 0.188 27 0 "[ . 1 . 2 . ]"
1 111 ASN 6.883 0.244 16 0 "[ . 1 . 2 . ]"
1 112 PHE 15.163 0.324 17 0 "[ . 1 . 2 . ]"
1 113 ASN 36.348 0.479 27 0 "[ . 1 . 2 . ]"
1 114 LEU 17.946 0.395 27 0 "[ . 1 . 2 . ]"
1 115 THR 13.460 0.510 14 1 "[ . 1 +. 2 . ]"
1 116 VAL 12.886 0.300 8 0 "[ . 1 . 2 . ]"
1 117 HIS 33.802 0.515 29 1 "[ . 1 . 2 . +]"
1 118 GLU 14.127 0.515 29 1 "[ . 1 . 2 . +]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 ASP H 1 11 ASP HA 2.812 . 3.312 2.635 2.325 2.991 . 0 0 "[ . 1 . 2 . ]" 1
2 1 11 ASP H 1 11 ASP HB2 2.854 . 3.354 3.453 2.367 4.190 0.836 23 6 "[ . 1*- .* 2 + .** ]" 1
3 1 11 ASP H 1 11 ASP HB3 3.108 . 3.608 3.527 2.511 4.200 0.592 22 5 "[ .- 1 *. 2 + *. * ]" 1
4 1 11 ASP HA 1 12 ASP H 2.338 . 2.838 2.087 1.787 2.420 . 0 0 "[ . 1 . 2 . ]" 1
5 1 12 ASP H 1 12 ASP HA 2.598 . 3.098 2.892 2.813 2.938 . 0 0 "[ . 1 . 2 . ]" 1
6 1 12 ASP H 1 12 ASP HB2 2.436 . 2.936 2.361 2.032 3.221 0.285 12 0 "[ . 1 . 2 . ]" 1
7 1 12 ASP H 1 12 ASP HB3 2.556 . 3.056 3.103 2.171 3.482 0.426 19 0 "[ . 1 . 2 . ]" 1
8 1 13 PRO HA 1 14 ILE H 2.366 . 2.866 2.416 2.209 2.910 0.044 9 0 "[ . 1 . 2 . ]" 1
9 1 14 ILE H 1 14 ILE HA 2.562 . 3.062 2.919 2.792 2.970 . 0 0 "[ . 1 . 2 . ]" 1
10 1 14 ILE H 1 14 ILE HB 2.265 . 2.765 2.343 2.148 2.529 . 0 0 "[ . 1 . 2 . ]" 1
11 1 14 ILE H 1 14 ILE MG 3.622 . 4.122 3.621 3.564 3.684 . 0 0 "[ . 1 . 2 . ]" 1
12 1 14 ILE H 1 15 GLY H 2.556 . 3.056 2.398 2.074 2.851 . 0 0 "[ . 1 . 2 . ]" 1
13 1 14 ILE HA 1 15 GLY H 2.992 . 3.492 3.534 3.513 3.548 0.056 12 0 "[ . 1 . 2 . ]" 1
14 1 15 GLY H 1 16 LEU H 3.435 . 3.935 2.135 1.833 2.412 . 0 0 "[ . 1 . 2 . ]" 1
15 1 15 GLY QA 1 16 LEU H 4.133 . 4.633 2.532 2.418 2.674 . 0 0 "[ . 1 . 2 . ]" 1
16 1 16 LEU H 1 16 LEU HB2 2.945 . 3.445 2.039 1.956 2.180 . 0 0 "[ . 1 . 2 . ]" 1
17 1 16 LEU H 1 16 LEU HB3 2.881 . 3.381 2.831 2.671 3.120 . 0 0 "[ . 1 . 2 . ]" 1
18 1 16 LEU H 1 16 LEU MD1 4.370 . 4.870 3.552 3.129 3.784 . 0 0 "[ . 1 . 2 . ]" 1
19 1 16 LEU H 1 16 LEU MD2 4.378 . 4.878 3.973 3.829 4.065 . 0 0 "[ . 1 . 2 . ]" 1
20 1 16 LEU H 1 17 PHE H 3.063 . 3.563 2.770 2.548 3.078 . 0 0 "[ . 1 . 2 . ]" 1
21 1 16 LEU HA 1 17 PHE H 3.319 . 3.819 3.512 3.459 3.554 . 0 0 "[ . 1 . 2 . ]" 1
22 1 16 LEU HB2 1 17 PHE H 3.159 . 3.659 3.438 3.152 3.668 0.009 7 0 "[ . 1 . 2 . ]" 1
23 1 16 LEU HB2 1 101 VAL MG1 4.535 . 5.035 4.107 3.705 4.662 . 0 0 "[ . 1 . 2 . ]" 1
24 1 16 LEU HB3 1 17 PHE H 3.002 . 3.502 2.479 2.193 2.776 . 0 0 "[ . 1 . 2 . ]" 1
25 1 16 LEU MD1 1 38 VAL MG1 5.232 . 5.732 2.334 2.058 2.508 . 0 0 "[ . 1 . 2 . ]" 1
26 1 16 LEU MD1 1 101 VAL MG2 4.798 . 5.298 2.635 2.272 4.416 . 0 0 "[ . 1 . 2 . ]" 1
27 1 16 LEU MD1 1 106 LYS QB 4.678 . 5.178 2.750 2.332 3.133 . 0 0 "[ . 1 . 2 . ]" 1
28 1 16 LEU MD2 1 101 VAL MG1 4.799 . 5.299 2.037 1.865 2.277 . 0 0 "[ . 1 . 2 . ]" 1
29 1 16 LEU MD2 1 106 LYS QB 4.837 . 5.080 1.587 1.144 2.187 . 0 0 "[ . 1 . 2 . ]" 1
30 1 17 PHE H 1 17 PHE HB2 3.151 . 3.651 2.167 2.064 2.259 . 0 0 "[ . 1 . 2 . ]" 1
31 1 17 PHE H 1 17 PHE HB3 3.112 . 3.612 3.209 3.076 3.359 . 0 0 "[ . 1 . 2 . ]" 1
32 1 17 PHE H 1 17 PHE QD 4.979 . 5.479 3.595 3.157 3.811 . 0 0 "[ . 1 . 2 . ]" 1
33 1 17 PHE H 1 18 VAL H 3.218 . 3.718 3.851 3.820 3.892 0.174 25 0 "[ . 1 . 2 . ]" 1
34 1 17 PHE HA 1 18 VAL H 2.742 . 3.242 2.215 2.156 2.262 . 0 0 "[ . 1 . 2 . ]" 1
35 1 18 VAL H 1 18 VAL HB 3.023 . 3.523 2.614 2.543 2.658 . 0 0 "[ . 1 . 2 . ]" 1
36 1 18 VAL H 1 18 VAL QG 3.755 . 4.255 1.909 1.860 2.048 . 0 0 "[ . 1 . 2 . ]" 1
37 1 18 VAL H 1 19 MET H 2.703 . 3.203 2.528 2.373 2.675 . 0 0 "[ . 1 . 2 . ]" 1
38 1 18 VAL H 1 39 ALA H 3.214 . 3.714 3.161 2.993 3.442 . 0 0 "[ . 1 . 2 . ]" 1
39 1 18 VAL HA 1 19 MET H 3.093 . 3.593 3.521 3.435 3.559 . 0 0 "[ . 1 . 2 . ]" 1
40 1 19 MET H 1 19 MET HB2 3.202 . 3.702 3.270 2.680 3.516 . 0 0 "[ . 1 . 2 . ]" 1
41 1 19 MET H 1 19 MET HB3 3.238 . 3.738 3.071 2.825 3.799 0.061 8 0 "[ . 1 . 2 . ]" 1
42 1 19 MET H 1 37 ARG H 2.916 . 3.416 3.094 2.703 3.418 0.002 23 0 "[ . 1 . 2 . ]" 1
43 1 19 MET HB2 1 20 ARG H 3.588 . 4.088 4.143 4.026 4.220 0.132 8 0 "[ . 1 . 2 . ]" 1
44 1 19 MET HB3 1 20 ARG H 3.352 . 3.852 3.887 3.126 4.115 0.263 26 0 "[ . 1 . 2 . ]" 1
45 1 20 ARG H 1 20 ARG HB2 3.101 . 3.601 3.430 2.491 3.761 0.160 23 0 "[ . 1 . 2 . ]" 1
46 1 20 ARG H 1 20 ARG HB3 3.488 . 3.988 3.163 2.673 3.691 . 0 0 "[ . 1 . 2 . ]" 1
47 1 22 GLN H 1 22 GLN HA 2.983 . 3.483 2.928 2.903 2.941 . 0 0 "[ . 1 . 2 . ]" 1
48 1 22 GLN H 1 22 GLN HB2 2.831 . 3.331 2.565 2.243 3.381 0.050 16 0 "[ . 1 . 2 . ]" 1
49 1 22 GLN H 1 22 GLN HB3 3.027 . 3.527 3.554 2.555 3.720 0.193 23 0 "[ . 1 . 2 . ]" 1
50 1 22 GLN H 1 22 GLN QG 3.701 . 4.201 2.925 1.891 4.041 . 0 0 "[ . 1 . 2 . ]" 1
51 1 22 GLN HA 1 23 ASP H 2.114 . 2.614 2.546 2.145 2.672 0.058 28 0 "[ . 1 . 2 . ]" 1
52 1 23 ASP H 1 23 ASP HA 2.696 . 3.196 2.750 2.687 2.806 . 0 0 "[ . 1 . 2 . ]" 1
53 1 23 ASP H 1 23 ASP HB2 2.485 . 2.985 3.032 2.430 3.406 0.421 13 0 "[ . 1 . 2 . ]" 1
54 1 23 ASP H 1 23 ASP HB3 2.561 . 3.061 2.903 2.471 3.402 0.341 19 0 "[ . 1 . 2 . ]" 1
55 1 23 ASP H 1 24 GLY H 3.070 . 3.570 3.965 3.744 4.022 0.452 20 0 "[ . 1 . 2 . ]" 1
56 1 23 ASP H 1 112 PHE HA 3.684 . 4.184 3.889 3.589 4.029 . 0 0 "[ . 1 . 2 . ]" 1
57 1 23 ASP H 1 113 ASN H 3.408 . 3.908 3.999 3.786 4.054 0.146 6 0 "[ . 1 . 2 . ]" 1
58 1 23 ASP HA 1 24 GLY H 2.406 . 2.906 2.916 2.815 3.370 0.464 29 0 "[ . 1 . 2 . ]" 1
59 1 23 ASP HA 1 113 ASN H 2.742 . 3.242 2.693 2.149 2.926 . 0 0 "[ . 1 . 2 . ]" 1
60 1 23 ASP HB2 1 24 GLY H 2.907 . 3.407 1.699 1.385 2.218 . 0 0 "[ . 1 . 2 . ]" 1
61 1 23 ASP HB3 1 24 GLY H 2.831 . 3.331 2.565 1.565 3.104 . 0 0 "[ . 1 . 2 . ]" 1
62 1 24 GLY H 1 24 GLY HA2 2.892 . 3.392 2.636 2.585 2.678 . 0 0 "[ . 1 . 2 . ]" 1
63 1 24 GLY H 1 24 GLY HA3 2.874 . 3.374 2.900 2.877 2.919 . 0 0 "[ . 1 . 2 . ]" 1
64 1 24 GLY H 1 25 GLU H 3.189 . 3.689 3.853 3.751 3.927 0.238 29 0 "[ . 1 . 2 . ]" 1
65 1 24 GLY H 1 114 LEU HA 2.929 . 3.429 3.424 3.206 3.504 0.075 19 0 "[ . 1 . 2 . ]" 1
66 1 24 GLY H 1 115 THR H 3.398 . 3.898 3.977 3.885 4.080 0.182 29 0 "[ . 1 . 2 . ]" 1
67 1 24 GLY HA2 1 25 GLU H 2.424 . 2.924 2.039 2.001 2.104 . 0 0 "[ . 1 . 2 . ]" 1
68 1 24 GLY HA3 1 25 GLU H 2.310 . 2.810 2.993 2.944 3.063 0.253 12 0 "[ . 1 . 2 . ]" 1
69 1 25 GLU H 1 25 GLU HA 2.722 . 3.222 2.938 2.923 2.951 . 0 0 "[ . 1 . 2 . ]" 1
70 1 25 GLU H 1 25 GLU QB 3.635 . 4.135 2.522 2.296 2.722 . 0 0 "[ . 1 . 2 . ]" 1
71 1 25 GLU H 1 25 GLU QG 3.720 . 4.220 3.051 2.611 4.038 . 0 0 "[ . 1 . 2 . ]" 1
72 1 25 GLU H 1 32 ILE MD 3.457 . 3.957 3.873 3.204 4.021 0.064 11 0 "[ . 1 . 2 . ]" 1
73 1 25 GLU HA 1 26 VAL H 2.221 . 2.721 2.188 2.148 2.249 . 0 0 "[ . 1 . 2 . ]" 1
74 1 25 GLU HA 1 115 THR H 2.780 . 3.280 2.442 2.208 2.608 . 0 0 "[ . 1 . 2 . ]" 1
75 1 25 GLU QB 1 26 VAL H 3.658 . 4.158 3.403 3.241 3.872 . 0 0 "[ . 1 . 2 . ]" 1
76 1 26 VAL H 1 26 VAL HA 2.658 . 3.158 2.865 2.855 2.876 . 0 0 "[ . 1 . 2 . ]" 1
77 1 26 VAL H 1 26 VAL HB 2.973 . 3.473 3.789 3.741 3.827 0.354 3 0 "[ . 1 . 2 . ]" 1
78 1 26 VAL H 1 26 VAL MG1 3.511 . 4.011 2.644 2.522 2.831 . 0 0 "[ . 1 . 2 . ]" 1
79 1 26 VAL H 1 26 VAL MG2 3.430 . 3.930 2.437 2.321 2.565 . 0 0 "[ . 1 . 2 . ]" 1
80 1 26 VAL H 1 27 THR H 3.236 . 3.736 4.178 4.146 4.202 0.466 24 0 "[ . 1 . 2 . ]" 1
81 1 26 VAL H 1 115 THR H 3.081 . 3.581 3.754 3.629 3.797 0.216 29 0 "[ . 1 . 2 . ]" 1
82 1 26 VAL H 1 115 THR HB 3.327 . 3.827 3.782 3.653 3.934 0.107 14 0 "[ . 1 . 2 . ]" 1
83 1 26 VAL H 1 116 VAL HA 2.648 . 3.148 2.940 2.792 3.069 . 0 0 "[ . 1 . 2 . ]" 1
84 1 26 VAL H 1 117 HIS H 2.870 . 3.370 3.508 3.417 3.566 0.196 3 0 "[ . 1 . 2 . ]" 1
85 1 26 VAL HA 1 27 THR H 2.069 . 2.569 2.286 2.115 2.342 . 0 0 "[ . 1 . 2 . ]" 1
86 1 26 VAL HB 1 27 THR H 2.672 . 3.172 2.497 2.335 2.900 . 0 0 "[ . 1 . 2 . ]" 1
87 1 26 VAL MG2 1 27 THR H 3.720 . 4.220 2.923 2.776 3.356 . 0 0 "[ . 1 . 2 . ]" 1
88 1 27 THR H 1 27 THR HA 2.516 . 3.016 2.904 2.859 2.919 . 0 0 "[ . 1 . 2 . ]" 1
89 1 27 THR H 1 27 THR HB 2.397 . 2.897 2.941 2.841 3.136 0.239 25 0 "[ . 1 . 2 . ]" 1
90 1 27 THR H 1 27 THR MG 3.536 . 4.036 3.662 1.991 3.822 . 0 0 "[ . 1 . 2 . ]" 1
91 1 27 THR H 1 30 GLY H 3.455 . 3.955 4.080 4.025 4.170 0.215 2 0 "[ . 1 . 2 . ]" 1
92 1 27 THR HA 1 28 VAL H 2.172 . 2.672 2.333 2.292 2.377 . 0 0 "[ . 1 . 2 . ]" 1
93 1 27 THR HB 1 28 VAL H 2.646 . 3.146 3.328 3.234 3.594 0.448 3 0 "[ . 1 . 2 . ]" 1
94 1 28 VAL H 1 28 VAL HA 2.666 . 3.166 2.809 2.753 2.871 . 0 0 "[ . 1 . 2 . ]" 1
95 1 28 VAL H 1 28 VAL HB 2.283 . 2.783 2.760 2.546 2.982 0.199 1 0 "[ . 1 . 2 . ]" 1
96 1 28 VAL H 1 28 VAL MG1 3.638 . 4.138 3.640 1.778 3.806 . 0 0 "[ . 1 . 2 . ]" 1
97 1 28 VAL H 1 28 VAL MG2 3.292 . 3.792 2.068 1.773 3.726 . 0 0 "[ . 1 . 2 . ]" 1
98 1 28 VAL H 1 29 GLY H 3.230 . 3.730 4.062 4.040 4.081 0.351 20 0 "[ . 1 . 2 . ]" 1
99 1 28 VAL H 1 117 HIS H 2.945 . 3.445 3.587 3.536 3.651 0.206 8 0 "[ . 1 . 2 . ]" 1
100 1 28 VAL H 1 117 HIS QB 4.283 . 4.783 3.623 3.273 4.206 . 0 0 "[ . 1 . 2 . ]" 1
101 1 28 VAL H 1 118 GLU HA 2.929 . 3.429 3.322 2.495 3.588 0.159 13 0 "[ . 1 . 2 . ]" 1
102 1 28 VAL HA 1 29 GLY H 2.308 . 2.808 1.931 1.818 1.981 . 0 0 "[ . 1 . 2 . ]" 1
103 1 28 VAL HB 1 29 GLY H 3.068 . 3.568 4.035 3.884 4.224 0.656 21 6 "[ ** - 1 . * 2+ . *]" 1
104 1 29 GLY H 1 29 GLY HA2 2.584 . 3.084 2.494 2.421 2.590 . 0 0 "[ . 1 . 2 . ]" 1
105 1 29 GLY H 1 29 GLY HA3 2.762 . 3.262 2.942 2.937 2.951 . 0 0 "[ . 1 . 2 . ]" 1
106 1 29 GLY H 1 30 GLY H 2.644 . 3.144 2.072 1.937 2.238 . 0 0 "[ . 1 . 2 . ]" 1
107 1 29 GLY H 1 88 ASP HA 3.132 . 3.632 2.922 2.433 3.669 0.037 14 0 "[ . 1 . 2 . ]" 1
108 1 29 GLY H 1 89 ALA H 2.990 . 3.490 3.191 2.616 3.610 0.120 22 0 "[ . 1 . 2 . ]" 1
109 1 30 GLY H 1 30 GLY HA2 2.394 . 2.894 2.913 2.895 2.933 0.039 24 0 "[ . 1 . 2 . ]" 1
110 1 30 GLY H 1 30 GLY HA3 2.412 . 2.912 2.335 2.302 2.406 . 0 0 "[ . 1 . 2 . ]" 1
111 1 30 GLY H 1 31 SER H 2.653 . 3.153 3.573 3.492 4.158 1.005 24 1 "[ . 1 . 2 +. ]" 1
112 1 30 GLY HA2 1 31 SER H 2.164 . 2.664 3.017 2.730 3.060 0.396 21 0 "[ . 1 . 2 . ]" 1
113 1 30 GLY HA3 1 31 SER H 2.245 . 2.745 1.950 1.910 2.232 . 0 0 "[ . 1 . 2 . ]" 1
114 1 31 SER H 1 31 SER HA 2.692 . 3.192 2.822 2.809 2.876 . 0 0 "[ . 1 . 2 . ]" 1
115 1 31 SER H 1 31 SER HB2 2.894 . 3.394 3.657 2.816 3.778 0.384 27 0 "[ . 1 . 2 . ]" 1
116 1 31 SER H 1 31 SER HB3 2.679 . 3.179 3.406 2.918 3.827 0.648 20 2 "[ . -1 . + . ]" 1
117 1 31 SER H 1 32 ILE H 3.272 . 3.772 4.189 4.167 4.250 0.478 24 0 "[ . 1 . 2 . ]" 1
118 1 31 SER HA 1 32 ILE H 2.253 . 2.753 2.289 2.217 2.373 . 0 0 "[ . 1 . 2 . ]" 1
119 1 31 SER HA 1 87 THR HA 2.800 . 3.300 1.699 1.617 1.806 . 0 0 "[ . 1 . 2 . ]" 1
120 1 31 SER HA 1 88 ASP H 3.041 . 3.541 2.098 1.887 2.265 . 0 0 "[ . 1 . 2 . ]" 1
121 1 31 SER HB2 1 32 ILE H 2.787 . 3.287 2.408 2.112 3.546 0.259 25 0 "[ . 1 . 2 . ]" 1
122 1 31 SER HB2 1 88 ASP H 3.580 . 4.080 4.213 3.162 4.354 0.274 20 0 "[ . 1 . 2 . ]" 1
123 1 31 SER HB3 1 32 ILE H 2.723 . 3.223 3.381 2.233 3.542 0.319 16 0 "[ . 1 . 2 . ]" 1
124 1 31 SER HB3 1 87 THR MG 4.252 . 4.752 2.127 1.697 3.294 . 0 0 "[ . 1 . 2 . ]" 1
125 1 31 SER HB3 1 88 ASP H 3.458 . 3.958 3.426 2.999 4.424 0.466 25 0 "[ . 1 . 2 . ]" 1
126 1 32 ILE H 1 32 ILE HA 2.792 . 3.292 2.833 2.806 2.865 . 0 0 "[ . 1 . 2 . ]" 1
127 1 32 ILE H 1 32 ILE HB 3.084 . 3.584 3.291 3.213 3.386 . 0 0 "[ . 1 . 2 . ]" 1
128 1 32 ILE H 1 32 ILE MG 3.461 . 3.961 2.466 2.312 2.563 . 0 0 "[ . 1 . 2 . ]" 1
129 1 32 ILE H 1 33 THR H 3.222 . 3.722 4.098 4.057 4.125 0.403 2 0 "[ . 1 . 2 . ]" 1
130 1 32 ILE H 1 87 THR HA 2.909 . 3.409 2.488 2.278 2.738 . 0 0 "[ . 1 . 2 . ]" 1
131 1 32 ILE H 1 88 ASP H 3.547 . 3.968 4.085 4.013 4.161 0.193 4 0 "[ . 1 . 2 . ]" 1
132 1 32 ILE HA 1 33 THR H 2.248 . 2.748 2.146 2.086 2.202 . 0 0 "[ . 1 . 2 . ]" 1
133 1 32 ILE HB 1 33 THR H 2.807 . 3.307 3.734 3.688 3.777 0.470 25 0 "[ . 1 . 2 . ]" 1
134 1 33 THR H 1 33 THR HB 2.514 . 3.014 2.998 2.907 3.047 0.033 12 0 "[ . 1 . 2 . ]" 1
135 1 33 THR H 1 33 THR MG 3.946 . 4.446 4.004 3.968 4.034 . 0 0 "[ . 1 . 2 . ]" 1
136 1 33 THR H 1 34 PHE H 3.443 . 3.943 4.109 4.057 4.201 0.258 29 0 "[ . 1 . 2 . ]" 1
137 1 33 THR HA 1 34 PHE H 2.352 . 2.852 2.034 2.002 2.079 . 0 0 "[ . 1 . 2 . ]" 1
138 1 33 THR HA 1 85 HIS HA 2.800 . 3.300 3.267 2.959 3.402 0.102 13 0 "[ . 1 . 2 . ]" 1
139 1 33 THR HB 1 34 PHE H 3.310 . 3.810 3.991 3.905 4.057 0.247 20 0 "[ . 1 . 2 . ]" 1
140 1 33 THR MG 1 34 PHE H 3.597 . 4.097 2.600 2.396 2.715 . 0 0 "[ . 1 . 2 . ]" 1
141 1 34 PHE H 1 34 PHE HB2 3.066 . 3.566 2.729 2.558 3.355 . 0 0 "[ . 1 . 2 . ]" 1
142 1 34 PHE H 1 34 PHE HB3 3.070 . 3.570 3.759 3.695 3.844 0.274 12 0 "[ . 1 . 2 . ]" 1
143 1 34 PHE H 1 34 PHE QD 4.782 . 5.282 3.199 2.201 3.576 . 0 0 "[ . 1 . 2 . ]" 1
144 1 34 PHE H 1 35 SER H 3.427 . 3.927 4.325 4.278 4.360 0.433 20 0 "[ . 1 . 2 . ]" 1
145 1 34 PHE H 1 84 LEU H 3.140 . 3.640 3.340 3.223 3.519 . 0 0 "[ . 1 . 2 . ]" 1
146 1 34 PHE H 1 86 ILE H 3.347 . 3.847 4.096 3.992 4.189 0.342 8 0 "[ . 1 . 2 . ]" 1
147 1 34 PHE HA 1 35 SER H 2.341 . 2.841 2.193 2.123 2.307 . 0 0 "[ . 1 . 2 . ]" 1
148 1 34 PHE HB2 1 35 SER H 3.176 . 3.676 3.736 3.112 3.980 0.304 11 0 "[ . 1 . 2 . ]" 1
149 1 34 PHE HB3 1 35 SER H 3.421 . 3.921 2.881 2.615 3.194 . 0 0 "[ . 1 . 2 . ]" 1
150 1 34 PHE QD 1 35 SER H 5.019 . 5.519 4.066 3.804 4.653 . 0 0 "[ . 1 . 2 . ]" 1
151 1 34 PHE QE 1 86 ILE MD 7.458 . 7.958 2.211 1.745 2.873 . 0 0 "[ . 1 . 2 . ]" 1
152 1 35 SER H 1 35 SER HB2 2.978 . 3.478 3.154 2.893 3.680 0.202 29 0 "[ . 1 . 2 . ]" 1
153 1 35 SER H 1 35 SER HB3 3.205 . 3.705 3.791 3.536 3.868 0.163 16 0 "[ . 1 . 2 . ]" 1
154 1 35 SER H 1 36 ALA H 3.417 . 3.917 4.085 4.051 4.163 0.246 17 0 "[ . 1 . 2 . ]" 1
155 1 35 SER HA 1 36 ALA H 2.420 . 2.920 2.046 2.006 2.116 . 0 0 "[ . 1 . 2 . ]" 1
156 1 35 SER HA 1 83 GLU HA 2.800 . 3.300 2.318 2.032 2.760 . 0 0 "[ . 1 . 2 . ]" 1
157 1 35 SER HA 1 84 LEU H 3.212 . 3.712 3.083 2.878 3.325 . 0 0 "[ . 1 . 2 . ]" 1
158 1 35 SER HB2 1 36 ALA H 3.014 . 3.514 3.734 3.321 3.889 0.375 16 0 "[ . 1 . 2 . ]" 1
159 1 35 SER HB3 1 36 ALA H 2.972 . 3.472 3.449 3.089 3.832 0.360 8 0 "[ . 1 . 2 . ]" 1
160 1 36 ALA H 1 82 PHE H 3.134 . 3.634 3.615 3.403 3.685 0.051 21 0 "[ . 1 . 2 . ]" 1
161 1 36 ALA H 1 83 GLU HA 3.169 . 3.669 3.186 2.783 3.550 . 0 0 "[ . 1 . 2 . ]" 1
162 1 36 ALA HA 1 37 ARG H 2.480 . 2.980 2.155 2.128 2.198 . 0 0 "[ . 1 . 2 . ]" 1
163 1 36 ALA MB 1 37 ARG H 3.844 . 4.344 3.254 3.041 3.341 . 0 0 "[ . 1 . 2 . ]" 1
164 1 36 ALA MB 1 112 PHE QD 7.785 . 8.285 5.570 4.939 5.935 . 0 0 "[ . 1 . 2 . ]" 1
165 1 37 ARG HA 1 38 VAL H 2.591 . 3.091 2.170 2.147 2.191 . 0 0 "[ . 1 . 2 . ]" 1
166 1 37 ARG HA 1 81 LEU HA 2.800 . 3.300 2.282 2.050 2.458 . 0 0 "[ . 1 . 2 . ]" 1
167 1 37 ARG HA 1 82 PHE H 3.326 . 3.826 3.390 3.172 3.636 . 0 0 "[ . 1 . 2 . ]" 1
168 1 37 ARG QB 1 38 VAL H 4.012 . 4.512 3.269 3.087 3.440 . 0 0 "[ . 1 . 2 . ]" 1
169 1 38 VAL H 1 38 VAL HB 2.948 . 3.448 2.786 2.713 2.835 . 0 0 "[ . 1 . 2 . ]" 1
170 1 38 VAL H 1 38 VAL MG1 3.682 . 4.182 3.894 3.869 3.919 . 0 0 "[ . 1 . 2 . ]" 1
171 1 38 VAL H 1 38 VAL MG2 3.865 . 4.365 2.565 2.452 2.672 . 0 0 "[ . 1 . 2 . ]" 1
172 1 38 VAL H 1 39 ALA H 3.388 . 3.888 4.153 4.124 4.190 0.302 1 0 "[ . 1 . 2 . ]" 1
173 1 38 VAL H 1 80 TYR H 3.156 . 3.656 2.930 2.826 3.126 . 0 0 "[ . 1 . 2 . ]" 1
174 1 38 VAL H 1 81 LEU HA 3.447 . 3.947 3.391 3.223 3.542 . 0 0 "[ . 1 . 2 . ]" 1
175 1 38 VAL H 1 82 PHE H 3.599 . 4.099 4.102 3.836 4.210 0.111 8 0 "[ . 1 . 2 . ]" 1
176 1 38 VAL HA 1 39 ALA H 2.332 . 2.832 1.992 1.962 2.019 . 0 0 "[ . 1 . 2 . ]" 1
177 1 38 VAL HB 1 39 ALA H 3.411 . 3.911 3.947 3.885 4.004 0.093 18 0 "[ . 1 . 2 . ]" 1
178 1 39 ALA H 1 39 ALA HA 2.849 . 3.349 2.767 2.736 2.813 . 0 0 "[ . 1 . 2 . ]" 1
179 1 39 ALA H 1 39 ALA MB 3.287 . 3.787 2.207 2.168 2.241 . 0 0 "[ . 1 . 2 . ]" 1
180 1 39 ALA H 1 40 GLY H 3.719 . 4.072 4.269 4.183 4.322 0.250 29 0 "[ . 1 . 2 . ]" 1
181 1 39 ALA HA 1 40 GLY H 2.379 . 2.879 2.092 2.064 2.133 . 0 0 "[ . 1 . 2 . ]" 1
182 1 39 ALA HA 1 80 TYR H 3.405 . 3.905 3.930 3.795 4.002 0.097 9 0 "[ . 1 . 2 . ]" 1
183 1 39 ALA MB 1 40 GLY H 3.594 . 4.094 3.360 3.280 3.423 . 0 0 "[ . 1 . 2 . ]" 1
184 1 40 GLY H 1 40 GLY HA2 2.795 . 3.295 2.767 2.726 2.902 . 0 0 "[ . 1 . 2 . ]" 1
185 1 40 GLY H 1 40 GLY HA3 2.900 . 3.400 2.306 2.270 2.323 . 0 0 "[ . 1 . 2 . ]" 1
186 1 40 GLY H 1 41 ALA H 3.160 . 3.660 2.875 2.645 3.140 . 0 0 "[ . 1 . 2 . ]" 1
187 1 40 GLY H 1 79 VAL HA 2.737 . 3.237 2.630 2.094 2.929 . 0 0 "[ . 1 . 2 . ]" 1
188 1 40 GLY H 1 80 TYR H 3.427 . 3.927 3.277 3.123 3.421 . 0 0 "[ . 1 . 2 . ]" 1
189 1 40 GLY H 1 80 TYR QD 5.295 . 5.795 3.740 2.733 4.437 . 0 0 "[ . 1 . 2 . ]" 1
190 1 40 GLY H 1 80 TYR QE 5.369 . 5.869 4.009 3.277 4.367 . 0 0 "[ . 1 . 2 . ]" 1
191 1 41 ALA H 1 41 ALA MB 3.496 . 3.996 2.774 2.230 2.914 . 0 0 "[ . 1 . 2 . ]" 1
192 1 42 SER HA 1 43 LEU H 3.362 . 3.862 2.513 2.149 3.563 . 0 0 "[ . 1 . 2 . ]" 1
193 1 43 LEU H 1 43 LEU HB2 3.044 . 3.544 3.688 2.809 3.932 0.388 16 0 "[ . 1 . 2 . ]" 1
194 1 43 LEU H 1 43 LEU HB3 3.351 . 3.851 3.153 2.348 3.768 . 0 0 "[ . 1 . 2 . ]" 1
195 1 43 LEU QD 1 103 THR MG 5.915 . 6.415 1.765 1.677 2.158 . 0 0 "[ . 1 . 2 . ]" 1
196 1 45 LYS H 1 45 LYS HA 2.445 . 2.945 2.898 2.855 2.938 . 0 0 "[ . 1 . 2 . ]" 1
197 1 45 LYS H 1 45 LYS QB 3.512 . 4.012 3.215 3.026 3.335 . 0 0 "[ . 1 . 2 . ]" 1
198 1 45 LYS H 1 45 LYS QD 3.254 . 3.754 2.821 2.375 3.346 . 0 0 "[ . 1 . 2 . ]" 1
199 1 45 LYS H 1 45 LYS QE 4.691 . 5.191 4.294 3.542 4.908 . 0 0 "[ . 1 . 2 . ]" 1
200 1 45 LYS H 1 45 LYS QG 3.527 . 4.027 2.261 1.711 2.614 . 0 0 "[ . 1 . 2 . ]" 1
201 1 45 LYS HA 1 45 LYS QD 4.319 . 4.819 3.791 3.679 4.338 . 0 0 "[ . 1 . 2 . ]" 1
202 1 45 LYS HA 1 46 PRO HD2 2.956 . 3.456 2.712 2.217 3.306 . 0 0 "[ . 1 . 2 . ]" 1
203 1 45 LYS HA 1 46 PRO HD3 2.839 . 3.339 2.188 1.954 2.718 . 0 0 "[ . 1 . 2 . ]" 1
204 1 46 PRO HB2 1 46 PRO HD2 3.631 . 4.131 3.146 2.941 4.034 . 0 0 "[ . 1 . 2 . ]" 1
205 1 47 PRO HA 1 48 VAL H 2.328 . 2.828 2.093 2.036 2.152 . 0 0 "[ . 1 . 2 . ]" 1
206 1 47 PRO HB2 1 48 VAL H 2.766 . 3.266 3.536 3.391 3.828 0.562 17 2 "[ . 1 . + 2 . - ]" 1
207 1 47 PRO HB3 1 48 VAL H 2.984 . 3.484 3.441 3.085 3.655 0.171 18 0 "[ . 1 . 2 . ]" 1
208 1 48 VAL H 1 48 VAL HA 2.729 . 3.229 2.910 2.894 2.918 . 0 0 "[ . 1 . 2 . ]" 1
209 1 48 VAL H 1 48 VAL HB 2.489 . 2.989 2.833 2.535 2.984 . 0 0 "[ . 1 . 2 . ]" 1
210 1 48 VAL H 1 48 VAL MG1 3.464 . 3.964 3.728 2.137 3.868 . 0 0 "[ . 1 . 2 . ]" 1
211 1 48 VAL H 1 48 VAL MG2 3.686 . 4.186 2.272 2.067 3.870 . 0 0 "[ . 1 . 2 . ]" 1
212 1 48 VAL H 1 49 VAL H 3.185 . 3.685 3.921 3.783 3.967 0.282 16 0 "[ . 1 . 2 . ]" 1
213 1 48 VAL H 1 102 SER H 2.939 . 3.439 3.026 2.902 3.232 . 0 0 "[ . 1 . 2 . ]" 1
214 1 48 VAL H 1 103 THR HA 3.018 . 3.518 3.410 3.125 3.644 0.126 11 0 "[ . 1 . 2 . ]" 1
215 1 48 VAL HA 1 49 VAL H 2.061 . 2.561 1.995 1.908 2.079 . 0 0 "[ . 1 . 2 . ]" 1
216 1 48 VAL HB 1 49 VAL H 3.040 . 3.540 4.007 3.896 4.325 0.785 27 4 "[ . ** . - 2 . + ]" 1
217 1 48 VAL MG1 1 101 VAL MG2 5.009 . 5.509 4.827 3.767 6.017 0.508 25 1 "[ . 1 . 2 + ]" 1
218 1 49 VAL H 1 49 VAL HA 2.889 . 3.389 2.897 2.882 2.909 . 0 0 "[ . 1 . 2 . ]" 1
219 1 49 VAL H 1 49 VAL HB 2.442 . 2.942 2.819 2.595 2.876 . 0 0 "[ . 1 . 2 . ]" 1
220 1 49 VAL H 1 49 VAL MG1 3.763 . 4.263 3.836 3.787 3.872 . 0 0 "[ . 1 . 2 . ]" 1
221 1 49 VAL H 1 49 VAL MG2 3.660 . 4.160 2.085 1.939 2.351 . 0 0 "[ . 1 . 2 . ]" 1
222 1 49 VAL H 1 50 LYS H 3.237 . 3.737 4.056 4.010 4.118 0.381 27 0 "[ . 1 . 2 . ]" 1
223 1 49 VAL HA 1 50 LYS H 2.325 . 2.825 2.055 2.018 2.108 . 0 0 "[ . 1 . 2 . ]" 1
224 1 49 VAL HA 1 101 VAL HA 2.800 . 3.300 1.848 1.739 2.055 . 0 0 "[ . 1 . 2 . ]" 1
225 1 49 VAL HA 1 101 VAL MG2 4.609 . 5.109 2.992 2.754 3.318 . 0 0 "[ . 1 . 2 . ]" 1
226 1 49 VAL HA 1 102 SER H 2.579 . 3.079 3.292 3.193 3.384 0.305 13 0 "[ . 1 . 2 . ]" 1
227 1 49 VAL HB 1 50 LYS H 3.156 . 3.656 3.959 3.926 4.085 0.429 25 0 "[ . 1 . 2 . ]" 1
228 1 49 VAL MG1 1 51 TRP H 4.562 . 5.062 4.287 3.669 4.318 . 0 0 "[ . 1 . 2 . ]" 1
229 1 49 VAL MG1 1 51 TRP HE1 3.599 . 4.099 3.454 2.739 3.624 . 0 0 "[ . 1 . 2 . ]" 1
230 1 49 VAL MG1 1 101 VAL MG2 5.154 . 5.654 3.054 1.903 3.247 . 0 0 "[ . 1 . 2 . ]" 1
231 1 49 VAL MG2 1 51 TRP HE1 4.118 . 4.618 4.560 4.054 4.766 0.148 26 0 "[ . 1 . 2 . ]" 1
232 1 49 VAL MG2 1 101 VAL HB 4.571 . 5.071 2.207 1.952 3.686 . 0 0 "[ . 1 . 2 . ]" 1
233 1 49 VAL MG2 1 101 VAL MG2 4.678 . 5.178 1.856 1.712 2.031 . 0 0 "[ . 1 . 2 . ]" 1
234 1 50 LYS H 1 50 LYS HA 2.909 . 3.409 2.867 2.853 2.875 . 0 0 "[ . 1 . 2 . ]" 1
235 1 50 LYS H 1 50 LYS HB2 2.867 . 3.367 3.635 3.605 3.676 0.309 5 0 "[ . 1 . 2 . ]" 1
236 1 50 LYS H 1 50 LYS HB3 3.029 . 3.529 3.015 2.842 3.137 . 0 0 "[ . 1 . 2 . ]" 1
237 1 50 LYS H 1 51 TRP H 3.416 . 3.916 4.166 4.133 4.198 0.282 8 0 "[ . 1 . 2 . ]" 1
238 1 50 LYS H 1 100 GLU H 3.149 . 3.649 3.459 3.208 3.667 0.018 25 0 "[ . 1 . 2 . ]" 1
239 1 50 LYS HA 1 51 TRP H 2.342 . 2.842 1.899 1.866 1.938 . 0 0 "[ . 1 . 2 . ]" 1
240 1 50 LYS HB2 1 51 TRP H 2.875 . 3.375 3.175 3.081 3.322 . 0 0 "[ . 1 . 2 . ]" 1
241 1 50 LYS HB3 1 51 TRP H 3.172 . 3.672 3.935 3.893 3.994 0.322 2 0 "[ . 1 . 2 . ]" 1
242 1 51 TRP H 1 51 TRP HB2 3.178 . 3.678 2.293 2.260 2.358 . 0 0 "[ . 1 . 2 . ]" 1
243 1 51 TRP H 1 51 TRP HB3 3.028 . 3.528 3.544 3.516 3.587 0.059 29 0 "[ . 1 . 2 . ]" 1
244 1 51 TRP H 1 51 TRP HD1 2.711 . 3.211 2.551 2.459 2.625 . 0 0 "[ . 1 . 2 . ]" 1
245 1 51 TRP HA 1 52 PHE H 2.680 . 3.180 2.149 2.079 2.239 . 0 0 "[ . 1 . 2 . ]" 1
246 1 51 TRP HA 1 99 CYS HA 2.800 . 3.300 2.473 2.284 2.540 . 0 0 "[ . 1 . 2 . ]" 1
247 1 51 TRP HA 1 100 GLU H 3.394 . 3.894 3.521 3.225 3.793 . 0 0 "[ . 1 . 2 . ]" 1
248 1 51 TRP HB2 1 52 PHE H 3.516 . 4.016 3.876 3.686 4.085 0.069 29 0 "[ . 1 . 2 . ]" 1
249 1 51 TRP HB3 1 52 PHE H 3.652 . 4.152 2.669 2.403 3.006 . 0 0 "[ . 1 . 2 . ]" 1
250 1 51 TRP HE1 1 69 LEU MD2 3.641 . 4.141 2.266 2.117 2.853 . 0 0 "[ . 1 . 2 . ]" 1
251 1 51 TRP HE1 1 69 LEU HG 3.374 . 3.874 4.197 4.112 4.614 0.740 29 1 "[ . 1 . 2 . +]" 1
252 1 51 TRP HE1 1 81 LEU QD 4.062 . 4.562 6.127 5.966 6.368 1.806 5 29 [****+******************-*****] 1
253 1 51 TRP HE1 1 84 LEU QD 4.407 . 4.907 3.901 3.604 4.124 . 0 0 "[ . 1 . 2 . ]" 1
254 1 52 PHE H 1 52 PHE HB2 3.284 . 3.784 3.040 2.865 3.510 . 0 0 "[ . 1 . 2 . ]" 1
255 1 52 PHE H 1 52 PHE HB3 3.414 . 3.914 2.823 2.602 2.956 . 0 0 "[ . 1 . 2 . ]" 1
256 1 52 PHE H 1 52 PHE QD 5.048 . 5.548 4.366 3.987 4.426 . 0 0 "[ . 1 . 2 . ]" 1
257 1 52 PHE H 1 98 ARG H 3.240 . 3.740 2.846 2.393 3.385 . 0 0 "[ . 1 . 2 . ]" 1
258 1 52 PHE H 1 99 CYS HA 3.253 . 3.753 3.437 3.124 3.796 0.043 13 0 "[ . 1 . 2 . ]" 1
259 1 52 PHE HA 1 53 LYS H 2.655 . 3.155 2.227 2.135 2.355 . 0 0 "[ . 1 . 2 . ]" 1
260 1 52 PHE HA 1 58 ASP HA 2.800 . 3.300 2.589 1.878 3.261 . 0 0 "[ . 1 . 2 . ]" 1
261 1 52 PHE HA 1 59 LEU H 3.142 . 3.642 3.238 2.554 3.483 . 0 0 "[ . 1 . 2 . ]" 1
262 1 52 PHE HB3 1 53 LYS H 3.231 . 3.731 3.855 3.660 4.342 0.611 27 1 "[ . 1 . 2 . + ]" 1
263 1 53 LYS H 1 53 LYS HB2 3.257 . 3.757 3.097 2.759 3.409 . 0 0 "[ . 1 . 2 . ]" 1
264 1 53 LYS H 1 53 LYS HB3 3.148 . 3.648 2.435 2.260 2.577 . 0 0 "[ . 1 . 2 . ]" 1
265 1 53 LYS H 1 53 LYS QD 4.395 . 4.895 4.637 4.369 4.992 0.097 22 0 "[ . 1 . 2 . ]" 1
266 1 53 LYS H 1 57 VAL H 3.207 . 3.707 3.963 3.785 4.079 0.372 12 0 "[ . 1 . 2 . ]" 1
267 1 53 LYS H 1 58 ASP HA 3.535 . 4.035 2.684 2.352 3.318 . 0 0 "[ . 1 . 2 . ]" 1
268 1 53 LYS H 1 59 LEU H 3.616 . 4.096 3.596 3.133 3.799 . 0 0 "[ . 1 . 2 . ]" 1
269 1 53 LYS HA 1 53 LYS HG2 3.638 . 4.138 3.398 3.082 4.066 . 0 0 "[ . 1 . 2 . ]" 1
270 1 53 LYS HA 1 53 LYS HG3 3.575 . 4.075 2.751 2.473 3.323 . 0 0 "[ . 1 . 2 . ]" 1
271 1 53 LYS HA 1 54 GLY H 2.620 . 3.120 2.372 2.211 2.526 . 0 0 "[ . 1 . 2 . ]" 1
272 1 53 LYS HA 1 97 TYR HA 2.800 . 3.300 2.527 2.496 2.543 . 0 0 "[ . 1 . 2 . ]" 1
273 1 53 LYS HA 1 98 ARG H 3.652 . 4.152 4.005 3.723 4.175 0.023 29 0 "[ . 1 . 2 . ]" 1
274 1 53 LYS HB2 1 54 GLY H 3.414 . 3.914 3.954 3.650 4.305 0.391 27 0 "[ . 1 . 2 . ]" 1
275 1 54 GLY H 1 54 GLY HA2 2.698 . 3.198 2.591 2.394 2.895 . 0 0 "[ . 1 . 2 . ]" 1
276 1 54 GLY H 1 54 GLY HA3 2.810 . 3.310 2.383 2.331 2.460 . 0 0 "[ . 1 . 2 . ]" 1
277 1 54 GLY H 1 97 TYR H 3.389 . 3.889 3.982 3.400 4.237 0.348 21 0 "[ . 1 . 2 . ]" 1
278 1 54 GLY H 1 97 TYR HA 2.900 . 3.400 3.080 2.178 3.576 0.176 4 0 "[ . 1 . 2 . ]" 1
279 1 54 GLY H 1 97 TYR QD 5.589 . 6.089 3.155 2.890 3.478 . 0 0 "[ . 1 . 2 . ]" 1
280 1 55 LYS H 1 55 LYS HB2 4.010 . 4.510 2.460 2.016 3.553 . 0 0 "[ . 1 . 2 . ]" 1
281 1 55 LYS H 1 55 LYS HB3 3.932 . 4.432 3.188 2.549 3.519 . 0 0 "[ . 1 . 2 . ]" 1
282 1 55 LYS HB2 1 56 TRP HE1 3.079 . 3.579 3.517 2.642 3.993 0.414 29 0 "[ . 1 . 2 . ]" 1
283 1 55 LYS HB3 1 56 TRP HE1 3.274 . 3.774 3.661 2.382 4.599 0.825 29 3 "[ .- 1 *. 2 . +]" 1
284 1 56 TRP H 1 56 TRP QB 3.134 . 3.634 3.307 3.233 3.484 . 0 0 "[ . 1 . 2 . ]" 1
285 1 56 TRP H 1 57 VAL H 2.939 . 3.439 1.756 1.692 1.809 . 0 0 "[ . 1 . 2 . ]" 1
286 1 56 TRP HA 1 57 VAL H 3.170 . 3.670 3.286 3.141 3.393 . 0 0 "[ . 1 . 2 . ]" 1
287 1 56 TRP QB 1 57 VAL H 3.187 . 3.687 3.744 3.624 3.816 0.129 16 0 "[ . 1 . 2 . ]" 1
288 1 56 TRP HE1 1 57 VAL MG2 4.387 . 4.887 3.730 2.716 4.988 0.101 13 0 "[ . 1 . 2 . ]" 1
289 1 57 VAL H 1 57 VAL HA 2.785 . 3.285 2.820 2.781 2.845 . 0 0 "[ . 1 . 2 . ]" 1
290 1 57 VAL H 1 57 VAL HB 2.485 . 2.985 3.091 2.148 3.462 0.477 12 0 "[ . 1 . 2 . ]" 1
291 1 57 VAL H 1 57 VAL MG1 3.289 . 3.789 3.362 1.885 3.545 . 0 0 "[ . 1 . 2 . ]" 1
292 1 57 VAL H 1 57 VAL MG2 3.669 . 4.169 2.010 1.847 3.484 . 0 0 "[ . 1 . 2 . ]" 1
293 1 57 VAL H 1 58 ASP H 3.313 . 3.813 4.259 4.134 4.320 0.507 26 1 "[ . 1 . 2 .+ ]" 1
294 1 57 VAL HA 1 58 ASP H 2.245 . 2.745 2.187 1.926 2.310 . 0 0 "[ . 1 . 2 . ]" 1
295 1 57 VAL MG1 1 58 ASP H 3.768 . 4.268 2.289 1.993 3.857 . 0 0 "[ . 1 . 2 . ]" 1
296 1 57 VAL MG2 1 58 ASP H 3.660 . 4.160 3.741 2.209 4.301 0.141 25 0 "[ . 1 . 2 . ]" 1
297 1 58 ASP H 1 58 ASP HA 2.866 . 3.366 2.894 2.858 2.928 . 0 0 "[ . 1 . 2 . ]" 1
298 1 58 ASP H 1 58 ASP HB2 2.573 . 3.073 3.193 2.228 3.566 0.493 10 0 "[ . 1 . 2 . ]" 1
299 1 58 ASP H 1 58 ASP HB3 2.559 . 3.059 2.886 2.210 3.479 0.420 3 0 "[ . 1 . 2 . ]" 1
300 1 58 ASP H 1 59 LEU H 3.473 . 3.973 4.327 4.136 4.398 0.425 9 0 "[ . 1 . 2 . ]" 1
301 1 58 ASP HA 1 59 LEU H 2.614 . 3.114 2.277 2.112 2.371 . 0 0 "[ . 1 . 2 . ]" 1
302 1 58 ASP HB2 1 59 LEU H 3.389 . 3.889 3.518 2.717 4.223 0.334 22 0 "[ . 1 . 2 . ]" 1
303 1 58 ASP HB3 1 59 LEU H 3.441 . 3.941 3.865 2.770 4.282 0.341 2 0 "[ . 1 . 2 . ]" 1
304 1 59 LEU H 1 59 LEU HB2 3.136 . 3.636 2.429 2.229 2.572 . 0 0 "[ . 1 . 2 . ]" 1
305 1 59 LEU H 1 59 LEU HB3 2.993 . 3.493 3.612 3.501 3.671 0.178 9 0 "[ . 1 . 2 . ]" 1
306 1 59 LEU H 1 60 SER H 2.883 . 3.383 2.468 2.235 2.971 . 0 0 "[ . 1 . 2 . ]" 1
307 1 59 LEU HA 1 60 SER H 3.048 . 3.548 3.460 3.388 3.516 . 0 0 "[ . 1 . 2 . ]" 1
308 1 59 LEU HB2 1 60 SER H 3.408 . 3.908 3.043 2.784 3.239 . 0 0 "[ . 1 . 2 . ]" 1
309 1 59 LEU HB3 1 60 SER H 3.224 . 3.724 3.769 3.619 3.939 0.215 18 0 "[ . 1 . 2 . ]" 1
310 1 59 LEU MD2 1 84 LEU QD . . 5.452 1.744 1.563 1.902 . 0 0 "[ . 1 . 2 . ]" 1
311 1 60 SER H 1 60 SER HA 2.735 . 3.235 2.791 2.760 2.829 . 0 0 "[ . 1 . 2 . ]" 1
312 1 60 SER H 1 60 SER HB2 2.690 . 3.190 2.503 2.339 3.366 0.176 3 0 "[ . 1 . 2 . ]" 1
313 1 60 SER H 1 60 SER HB3 2.559 . 3.059 2.726 2.491 3.472 0.413 2 0 "[ . 1 . 2 . ]" 1
314 1 60 SER H 1 61 SER H 2.788 . 3.288 2.502 2.422 2.557 . 0 0 "[ . 1 . 2 . ]" 1
315 1 60 SER H 1 62 LYS H 3.405 . 3.905 3.974 3.849 4.029 0.124 15 0 "[ . 1 . 2 . ]" 1
316 1 61 SER H 1 61 SER HA 2.719 . 3.219 2.843 2.820 2.878 . 0 0 "[ . 1 . 2 . ]" 1
317 1 61 SER H 1 61 SER HB2 2.770 . 3.270 2.468 2.269 3.468 0.198 23 0 "[ . 1 . 2 . ]" 1
318 1 61 SER H 1 61 SER HB3 2.902 . 3.402 3.285 2.487 3.666 0.264 29 0 "[ . 1 . 2 . ]" 1
319 1 61 SER H 1 62 LYS H 2.595 . 3.095 2.139 1.956 2.359 . 0 0 "[ . 1 . 2 . ]" 1
320 1 61 SER HA 1 62 LYS H 2.942 . 3.442 3.372 3.266 3.465 0.023 26 0 "[ . 1 . 2 . ]" 1
321 1 61 SER HB2 1 62 LYS H 3.120 . 3.620 3.305 2.627 3.954 0.334 17 0 "[ . 1 . 2 . ]" 1
322 1 61 SER HB3 1 62 LYS H 3.162 . 3.662 3.581 2.860 4.041 0.379 23 0 "[ . 1 . 2 . ]" 1
323 1 62 LYS H 1 62 LYS HA 2.615 . 3.115 2.886 2.798 2.920 . 0 0 "[ . 1 . 2 . ]" 1
324 1 62 LYS H 1 62 LYS HB2 2.762 . 3.262 2.808 2.039 3.112 . 0 0 "[ . 1 . 2 . ]" 1
325 1 62 LYS H 1 62 LYS HB3 2.730 . 3.230 3.544 3.366 3.617 0.387 16 0 "[ . 1 . 2 . ]" 1
326 1 62 LYS H 1 62 LYS QG 3.696 . 4.196 2.126 1.956 3.388 . 0 0 "[ . 1 . 2 . ]" 1
327 1 62 LYS H 1 63 VAL H 2.411 . 2.911 2.330 1.937 2.944 0.033 19 0 "[ . 1 . 2 . ]" 1
328 1 62 LYS HA 1 63 VAL H 2.658 . 3.158 3.422 3.311 3.486 0.328 22 0 "[ . 1 . 2 . ]" 1
329 1 62 LYS HB2 1 63 VAL H 3.173 . 3.673 2.407 1.944 3.193 . 0 0 "[ . 1 . 2 . ]" 1
330 1 63 VAL H 1 63 VAL HA 2.592 . 3.092 2.509 2.297 2.732 . 0 0 "[ . 1 . 2 . ]" 1
331 1 63 VAL H 1 63 VAL HB 2.260 . 2.760 2.606 2.206 2.975 0.215 5 0 "[ . 1 . 2 . ]" 1
332 1 63 VAL H 1 63 VAL MG1 3.747 . 4.247 3.768 3.626 3.886 . 0 0 "[ . 1 . 2 . ]" 1
333 1 63 VAL H 1 63 VAL MG2 3.141 . 3.641 2.024 1.902 2.150 . 0 0 "[ . 1 . 2 . ]" 1
334 1 63 VAL H 1 64 GLY H 3.111 . 3.611 3.901 3.738 4.013 0.402 11 0 "[ . 1 . 2 . ]" 1
335 1 63 VAL HA 1 64 GLY H 2.198 . 2.698 2.044 1.895 2.181 . 0 0 "[ . 1 . 2 . ]" 1
336 1 64 GLY H 1 64 GLY HA2 2.770 . 3.270 2.906 2.876 2.937 . 0 0 "[ . 1 . 2 . ]" 1
337 1 64 GLY H 1 64 GLY HA3 2.854 . 3.354 2.708 2.658 2.769 . 0 0 "[ . 1 . 2 . ]" 1
338 1 64 GLY H 1 67 LEU H 2.658 . 3.158 3.000 2.593 3.232 0.074 22 0 "[ . 1 . 2 . ]" 1
339 1 64 GLY H 1 68 GLN QE 3.578 . 4.078 4.045 3.862 4.617 0.539 14 1 "[ . 1 +. 2 . ]" 1
340 1 66 HIS H 1 66 HIS HB2 3.785 . 4.285 3.644 2.941 3.779 . 0 0 "[ . 1 . 2 . ]" 1
341 1 66 HIS H 1 66 HIS HB3 3.736 . 4.236 2.716 2.232 3.131 . 0 0 "[ . 1 . 2 . ]" 1
342 1 66 HIS H 1 67 LEU H 2.915 . 3.415 2.218 1.941 2.427 . 0 0 "[ . 1 . 2 . ]" 1
343 1 66 HIS HA 1 67 LEU H 2.838 . 3.338 3.455 3.411 3.508 0.170 13 0 "[ . 1 . 2 . ]" 1
344 1 66 HIS HB2 1 67 LEU H 3.105 . 3.605 3.817 3.509 3.991 0.386 28 0 "[ . 1 . 2 . ]" 1
345 1 66 HIS HB3 1 67 LEU H 3.285 . 3.785 3.752 2.619 4.030 0.245 10 0 "[ . 1 . 2 . ]" 1
346 1 67 LEU H 1 67 LEU HA 2.693 . 3.193 2.922 2.869 2.942 . 0 0 "[ . 1 . 2 . ]" 1
347 1 67 LEU H 1 67 LEU HB2 2.488 . 2.988 3.231 3.060 3.586 0.598 10 5 "[ . + * . 2 * * - ]" 1
348 1 67 LEU H 1 67 LEU HB3 2.687 . 3.187 2.447 2.373 2.579 . 0 0 "[ . 1 . 2 . ]" 1
349 1 67 LEU H 1 67 LEU QD 4.085 . 4.585 3.561 3.071 3.858 . 0 0 "[ . 1 . 2 . ]" 1
350 1 67 LEU H 1 68 GLN H 3.033 . 3.533 3.856 3.788 3.918 0.385 19 0 "[ . 1 . 2 . ]" 1
351 1 67 LEU HA 1 68 GLN H 2.256 . 2.756 2.198 2.084 2.273 . 0 0 "[ . 1 . 2 . ]" 1
352 1 67 LEU HA 1 85 HIS H 3.473 . 3.973 4.050 3.780 4.182 0.209 9 0 "[ . 1 . 2 . ]" 1
353 1 67 LEU HA 1 86 ILE HA 2.800 . 3.300 2.008 1.935 2.162 . 0 0 "[ . 1 . 2 . ]" 1
354 1 67 LEU HA 1 87 THR H 2.992 . 3.492 3.590 3.324 3.721 0.229 6 0 "[ . 1 . 2 . ]" 1
355 1 68 GLN H 1 68 GLN HA 2.863 . 3.363 2.876 2.862 2.895 . 0 0 "[ . 1 . 2 . ]" 1
356 1 68 GLN H 1 68 GLN HG2 2.967 . 3.467 3.731 2.013 3.959 0.492 21 0 "[ . 1 . 2 . ]" 1
357 1 68 GLN H 1 68 GLN HG3 3.049 . 3.549 3.152 2.987 3.598 0.049 14 0 "[ . 1 . 2 . ]" 1
358 1 68 GLN H 1 69 LEU H 3.280 . 3.780 4.110 4.056 4.136 0.356 26 0 "[ . 1 . 2 . ]" 1
359 1 68 GLN H 1 85 HIS H 2.841 . 3.341 2.974 2.822 3.053 . 0 0 "[ . 1 . 2 . ]" 1
360 1 68 GLN HA 1 69 LEU H 2.229 . 2.729 2.053 1.993 2.105 . 0 0 "[ . 1 . 2 . ]" 1
361 1 68 GLN QB 1 69 LEU H 3.840 . 4.340 3.376 3.323 3.465 . 0 0 "[ . 1 . 2 . ]" 1
362 1 69 LEU H 1 69 LEU HA 2.867 . 3.367 2.907 2.890 2.919 . 0 0 "[ . 1 . 2 . ]" 1
363 1 69 LEU H 1 69 LEU QB 3.552 . 4.052 2.339 2.291 2.371 . 0 0 "[ . 1 . 2 . ]" 1
364 1 69 LEU H 1 70 HIS H 3.218 . 3.718 3.896 3.858 3.939 0.221 14 0 "[ . 1 . 2 . ]" 1
365 1 69 LEU HA 1 70 HIS H 2.250 . 2.750 2.157 2.104 2.200 . 0 0 "[ . 1 . 2 . ]" 1
366 1 69 LEU HA 1 84 LEU HA 3.580 . 4.080 2.432 2.322 2.508 . 0 0 "[ . 1 . 2 . ]" 1
367 1 69 LEU HA 1 85 HIS H 3.131 . 3.631 3.594 3.462 3.689 0.058 26 0 "[ . 1 . 2 . ]" 1
368 1 69 LEU QB 1 70 HIS H 3.703 . 4.203 3.969 3.931 4.020 . 0 0 "[ . 1 . 2 . ]" 1
369 1 69 LEU MD1 1 84 LEU QD 6.417 . 6.917 3.079 2.990 3.186 . 0 0 "[ . 1 . 2 . ]" 1
370 1 69 LEU MD2 1 84 LEU HA 4.216 . 4.716 4.015 4.000 4.033 . 0 0 "[ . 1 . 2 . ]" 1
371 1 69 LEU MD2 1 84 LEU QD 5.663 . 6.163 2.457 2.096 2.643 . 0 0 "[ . 1 . 2 . ]" 1
372 1 70 HIS H 1 70 HIS HA 2.704 . 3.204 2.847 2.823 2.873 . 0 0 "[ . 1 . 2 . ]" 1
373 1 70 HIS H 1 70 HIS HB2 2.858 . 3.358 2.404 2.184 2.814 . 0 0 "[ . 1 . 2 . ]" 1
374 1 70 HIS H 1 70 HIS HB3 2.887 . 3.387 3.264 2.462 3.583 0.196 8 0 "[ . 1 . 2 . ]" 1
375 1 70 HIS H 1 71 ASP H 3.092 . 3.592 4.288 4.234 4.367 0.775 1 29 [+-***************************] 1
376 1 70 HIS H 1 83 GLU H 3.008 . 3.508 3.200 3.037 3.342 . 0 0 "[ . 1 . 2 . ]" 1
377 1 70 HIS H 1 84 LEU HA 3.311 . 3.811 3.282 2.817 3.582 . 0 0 "[ . 1 . 2 . ]" 1
378 1 70 HIS H 1 85 HIS H 3.395 . 3.895 3.996 3.842 4.088 0.193 8 0 "[ . 1 . 2 . ]" 1
379 1 70 HIS HA 1 71 ASP H 2.057 . 2.557 2.183 2.114 2.279 . 0 0 "[ . 1 . 2 . ]" 1
380 1 70 HIS HB2 1 71 ASP H 2.820 . 3.320 3.565 3.448 3.708 0.388 3 0 "[ . 1 . 2 . ]" 1
381 1 70 HIS HB3 1 71 ASP H 2.722 . 3.222 2.502 2.119 3.385 0.163 14 0 "[ . 1 . 2 . ]" 1
382 1 71 ASP H 1 71 ASP HA 2.739 . 3.239 2.866 2.848 2.897 . 0 0 "[ . 1 . 2 . ]" 1
383 1 71 ASP H 1 71 ASP QB 2.953 . 3.453 3.144 2.937 3.212 . 0 0 "[ . 1 . 2 . ]" 1
384 1 71 ASP H 1 72 SER H 3.191 . 3.691 3.867 3.796 3.958 0.267 5 0 "[ . 1 . 2 . ]" 1
385 1 71 ASP HA 1 72 SER H 2.257 . 2.757 1.915 1.833 1.974 . 0 0 "[ . 1 . 2 . ]" 1
386 1 71 ASP HA 1 82 PHE HA 2.800 . 3.300 2.124 1.942 2.359 . 0 0 "[ . 1 . 2 . ]" 1
387 1 71 ASP HA 1 83 GLU H 3.008 . 3.508 3.271 3.029 3.534 0.026 14 0 "[ . 1 . 2 . ]" 1
388 1 71 ASP QB 1 72 SER H 2.674 . 3.174 3.188 3.006 3.290 0.116 17 0 "[ . 1 . 2 . ]" 1
389 1 72 SER H 1 72 SER HA 2.703 . 3.203 2.912 2.883 2.924 . 0 0 "[ . 1 . 2 . ]" 1
390 1 72 SER H 1 72 SER HB2 3.206 . 3.706 2.810 2.647 3.274 . 0 0 "[ . 1 . 2 . ]" 1
391 1 72 SER H 1 72 SER HB3 3.225 . 3.725 3.705 3.653 3.742 0.017 14 0 "[ . 1 . 2 . ]" 1
392 1 72 SER H 1 81 LEU H 2.860 . 3.360 3.135 2.978 3.381 0.021 14 0 "[ . 1 . 2 . ]" 1
393 1 72 SER H 1 82 PHE HA 3.046 . 3.546 3.114 2.751 3.287 . 0 0 "[ . 1 . 2 . ]" 1
394 1 72 SER H 1 83 GLU H 3.460 . 3.960 3.935 3.674 4.079 0.119 19 0 "[ . 1 . 2 . ]" 1
395 1 72 SER HA 1 73 TYR H 2.405 . 2.905 2.264 2.047 2.329 . 0 0 "[ . 1 . 2 . ]" 1
396 1 72 SER HB2 1 73 TYR H 2.755 . 3.255 3.529 3.442 4.178 0.923 17 1 "[ . 1 . + 2 . ]" 1
397 1 72 SER HB3 1 73 TYR H 2.873 . 3.373 2.862 2.636 3.545 0.172 29 0 "[ . 1 . 2 . ]" 1
398 1 73 TYR H 1 73 TYR HA 2.206 . 2.706 2.875 2.834 2.905 0.199 19 0 "[ . 1 . 2 . ]" 1
399 1 73 TYR H 1 73 TYR HB2 2.925 . 3.425 3.440 3.017 3.880 0.455 8 0 "[ . 1 . 2 . ]" 1
400 1 73 TYR H 1 73 TYR HB3 2.941 . 3.441 2.725 2.373 3.138 . 0 0 "[ . 1 . 2 . ]" 1
401 1 73 TYR H 1 73 TYR QD 5.070 . 5.570 4.162 2.890 4.426 . 0 0 "[ . 1 . 2 . ]" 1
402 1 73 TYR HA 1 74 ASP H 2.349 . 2.849 2.062 1.971 2.113 . 0 0 "[ . 1 . 2 . ]" 1
403 1 73 TYR HA 1 80 TYR HA 2.800 . 3.300 2.438 1.943 2.840 . 0 0 "[ . 1 . 2 . ]" 1
404 1 73 TYR HB2 1 74 ASP H 3.361 . 3.861 4.206 3.569 4.506 0.645 14 1 "[ . 1 +. 2 . ]" 1
405 1 74 ASP H 1 74 ASP HA 2.675 . 3.175 2.926 2.886 2.950 . 0 0 "[ . 1 . 2 . ]" 1
406 1 74 ASP H 1 74 ASP QB 2.577 . 3.077 2.605 2.252 3.056 . 0 0 "[ . 1 . 2 . ]" 1
407 1 74 ASP H 1 75 ARG H 3.486 . 3.986 4.089 3.863 4.264 0.278 14 0 "[ . 1 . 2 . ]" 1
408 1 74 ASP H 1 79 VAL H 3.031 . 3.531 3.589 3.447 3.649 0.118 25 0 "[ . 1 . 2 . ]" 1
409 1 74 ASP H 1 81 LEU H 3.368 . 3.868 4.073 3.971 4.190 0.322 27 0 "[ . 1 . 2 . ]" 1
410 1 74 ASP HA 1 75 ARG H 2.239 . 2.739 2.050 1.952 2.162 . 0 0 "[ . 1 . 2 . ]" 1
411 1 74 ASP QB 1 75 ARG H 3.148 . 3.648 3.510 3.076 3.687 0.039 13 0 "[ . 1 . 2 . ]" 1
412 1 75 ARG H 1 75 ARG HA 2.650 . 3.150 2.863 2.809 2.941 . 0 0 "[ . 1 . 2 . ]" 1
413 1 75 ARG H 1 75 ARG QB 3.424 . 3.924 2.128 2.040 2.487 . 0 0 "[ . 1 . 2 . ]" 1
414 1 75 ARG H 1 75 ARG QG 3.534 . 4.034 3.592 3.205 3.710 . 0 0 "[ . 1 . 2 . ]" 1
415 1 75 ARG H 1 76 ALA H 2.670 . 3.170 2.378 2.035 2.568 . 0 0 "[ . 1 . 2 . ]" 1
416 1 75 ARG HA 1 76 ALA H 2.910 . 3.410 3.416 2.793 3.492 0.082 21 0 "[ . 1 . 2 . ]" 1
417 1 75 ARG HA 1 79 VAL H 3.631 . 4.131 3.870 3.276 4.061 . 0 0 "[ . 1 . 2 . ]" 1
418 1 76 ALA H 1 76 ALA HA 2.276 . 2.776 2.824 2.765 2.924 0.148 14 0 "[ . 1 . 2 . ]" 1
419 1 76 ALA H 1 76 ALA MB 3.006 . 3.506 2.260 2.227 2.457 . 0 0 "[ . 1 . 2 . ]" 1
420 1 76 ALA H 1 77 SER H 2.431 . 2.931 2.482 1.758 2.708 . 0 0 "[ . 1 . 2 . ]" 1
421 1 76 ALA H 1 78 LYS H 2.968 . 3.468 3.466 2.631 3.636 0.168 1 0 "[ . 1 . 2 . ]" 1
422 1 76 ALA HA 1 77 SER H 2.813 . 3.313 3.430 3.366 3.482 0.169 21 0 "[ . 1 . 2 . ]" 1
423 1 76 ALA MB 1 77 SER H 3.363 . 3.863 2.821 2.620 3.074 . 0 0 "[ . 1 . 2 . ]" 1
424 1 77 SER H 1 77 SER HA 2.610 . 3.110 2.923 2.905 2.948 . 0 0 "[ . 1 . 2 . ]" 1
425 1 77 SER H 1 77 SER QB 3.673 . 4.173 2.515 2.336 2.855 . 0 0 "[ . 1 . 2 . ]" 1
426 1 77 SER H 1 78 LYS H 2.463 . 2.963 1.982 1.828 2.143 . 0 0 "[ . 1 . 2 . ]" 1
427 1 77 SER H 1 79 VAL H 3.152 . 3.652 3.670 3.281 3.755 0.103 15 0 "[ . 1 . 2 . ]" 1
428 1 77 SER HA 1 78 LYS H 3.021 . 3.521 3.353 3.223 3.382 . 0 0 "[ . 1 . 2 . ]" 1
429 1 78 LYS H 1 78 LYS HA 2.396 . 2.896 2.267 2.171 2.303 . 0 0 "[ . 1 . 2 . ]" 1
430 1 78 LYS H 1 78 LYS HB2 2.801 . 3.301 3.158 3.057 3.788 0.487 19 0 "[ . 1 . 2 . ]" 1
431 1 78 LYS H 1 78 LYS HB3 3.125 . 3.625 3.652 2.763 4.080 0.455 9 0 "[ . 1 . 2 . ]" 1
432 1 78 LYS H 1 79 VAL H 2.558 . 3.058 2.546 2.360 2.900 . 0 0 "[ . 1 . 2 . ]" 1
433 1 78 LYS HA 1 79 VAL H 2.598 . 3.098 2.853 2.304 3.108 0.010 9 0 "[ . 1 . 2 . ]" 1
434 1 78 LYS HB3 1 79 VAL H 3.448 . 3.948 4.110 4.034 4.373 0.425 19 0 "[ . 1 . 2 . ]" 1
435 1 79 VAL H 1 79 VAL HA 2.704 . 3.204 2.923 2.851 2.936 . 0 0 "[ . 1 . 2 . ]" 1
436 1 79 VAL H 1 79 VAL HB 2.370 . 2.870 2.877 2.586 2.966 0.096 11 0 "[ . 1 . 2 . ]" 1
437 1 79 VAL H 1 79 VAL QG 3.397 . 3.897 2.545 2.149 2.714 . 0 0 "[ . 1 . 2 . ]" 1
438 1 79 VAL H 1 80 TYR H 3.285 . 3.785 4.143 4.022 4.237 0.452 8 0 "[ . 1 . 2 . ]" 1
439 1 79 VAL HA 1 80 TYR H 2.496 . 2.996 2.064 1.950 2.128 . 0 0 "[ . 1 . 2 . ]" 1
440 1 79 VAL HB 1 80 TYR H 3.294 . 3.794 3.946 3.828 4.112 0.318 9 0 "[ . 1 . 2 . ]" 1
441 1 80 TYR H 1 80 TYR HB2 3.144 . 3.644 2.647 2.417 2.774 . 0 0 "[ . 1 . 2 . ]" 1
442 1 80 TYR H 1 80 TYR HB3 3.190 . 3.690 3.704 3.626 3.736 0.046 11 0 "[ . 1 . 2 . ]" 1
443 1 80 TYR H 1 80 TYR QD 4.699 . 5.199 2.745 2.143 3.284 . 0 0 "[ . 1 . 2 . ]" 1
444 1 80 TYR H 1 80 TYR QE 5.639 . 6.139 4.538 4.297 4.650 . 0 0 "[ . 1 . 2 . ]" 1
445 1 80 TYR H 1 81 LEU H 3.333 . 3.833 4.124 4.055 4.231 0.398 8 0 "[ . 1 . 2 . ]" 1
446 1 80 TYR HA 1 81 LEU H 2.425 . 2.925 2.067 2.016 2.102 . 0 0 "[ . 1 . 2 . ]" 1
447 1 80 TYR HB2 1 81 LEU H 3.293 . 3.793 4.122 4.005 4.252 0.459 19 0 "[ . 1 . 2 . ]" 1
448 1 80 TYR HB3 1 81 LEU H 3.152 . 3.652 3.516 3.237 3.685 0.033 9 0 "[ . 1 . 2 . ]" 1
449 1 81 LEU H 1 81 LEU HB2 2.872 . 3.372 3.081 2.980 3.168 . 0 0 "[ . 1 . 2 . ]" 1
450 1 81 LEU H 1 81 LEU HB3 2.805 . 3.305 2.468 2.379 2.637 . 0 0 "[ . 1 . 2 . ]" 1
451 1 81 LEU H 1 82 PHE H 3.209 . 3.709 4.024 3.965 4.078 0.369 21 0 "[ . 1 . 2 . ]" 1
452 1 81 LEU HA 1 82 PHE H 2.535 . 3.035 2.034 2.005 2.063 . 0 0 "[ . 1 . 2 . ]" 1
453 1 82 PHE H 1 82 PHE HB2 3.048 . 3.548 2.326 2.279 2.388 . 0 0 "[ . 1 . 2 . ]" 1
454 1 82 PHE H 1 82 PHE HB3 3.250 . 3.750 3.560 3.535 3.598 . 0 0 "[ . 1 . 2 . ]" 1
455 1 82 PHE H 1 82 PHE QD 4.890 . 5.390 2.354 2.118 2.573 . 0 0 "[ . 1 . 2 . ]" 1
456 1 82 PHE H 1 82 PHE QE 5.581 . 6.081 4.444 4.362 4.537 . 0 0 "[ . 1 . 2 . ]" 1
457 1 82 PHE H 1 83 GLU H 3.362 . 3.862 4.213 4.172 4.259 0.397 8 0 "[ . 1 . 2 . ]" 1
458 1 82 PHE HA 1 83 GLU H 2.408 . 2.908 2.004 1.971 2.050 . 0 0 "[ . 1 . 2 . ]" 1
459 1 82 PHE HB2 1 83 GLU H 3.333 . 3.833 4.200 4.178 4.243 0.410 19 0 "[ . 1 . 2 . ]" 1
460 1 82 PHE HB3 1 83 GLU H 3.249 . 3.749 3.456 3.400 3.545 . 0 0 "[ . 1 . 2 . ]" 1
461 1 83 GLU H 1 83 GLU HB2 3.166 . 3.666 3.301 2.541 3.772 0.106 15 0 "[ . 1 . 2 . ]" 1
462 1 83 GLU H 1 83 GLU HB3 2.941 . 3.441 3.505 3.203 3.771 0.330 8 0 "[ . 1 . 2 . ]" 1
463 1 83 GLU H 1 84 LEU H 3.440 . 3.940 4.212 4.138 4.319 0.379 1 0 "[ . 1 . 2 . ]" 1
464 1 83 GLU HA 1 84 LEU H 2.615 . 3.115 2.019 1.955 2.077 . 0 0 "[ . 1 . 2 . ]" 1
465 1 83 GLU HB2 1 84 LEU H 3.225 . 3.725 3.540 2.966 4.090 0.365 4 0 "[ . 1 . 2 . ]" 1
466 1 83 GLU HB3 1 84 LEU H 3.223 . 3.723 3.638 3.023 3.977 0.254 21 0 "[ . 1 . 2 . ]" 1
467 1 84 LEU H 1 84 LEU HB2 3.093 . 3.593 2.481 2.361 2.594 . 0 0 "[ . 1 . 2 . ]" 1
468 1 84 LEU H 1 84 LEU HB3 3.021 . 3.521 3.638 3.596 3.677 0.156 4 0 "[ . 1 . 2 . ]" 1
469 1 84 LEU H 1 85 HIS H 3.486 . 3.986 4.247 4.082 4.335 0.349 24 0 "[ . 1 . 2 . ]" 1
470 1 84 LEU HA 1 85 HIS H 2.446 . 2.946 2.017 1.972 2.071 . 0 0 "[ . 1 . 2 . ]" 1
471 1 84 LEU HB2 1 85 HIS H 3.241 . 3.741 4.039 3.857 4.196 0.455 1 0 "[ . 1 . 2 . ]" 1
472 1 84 LEU HB3 1 85 HIS H 3.103 . 3.603 3.224 2.996 3.521 . 0 0 "[ . 1 . 2 . ]" 1
473 1 84 LEU HB3 1 86 ILE HB 2.996 . 3.496 3.756 3.607 3.970 0.474 13 0 "[ . 1 . 2 . ]" 1
474 1 84 LEU HB3 1 86 ILE HG12 3.297 . 3.797 3.207 2.779 3.583 . 0 0 "[ . 1 . 2 . ]" 1
475 1 84 LEU HB3 1 86 ILE HG13 3.361 . 3.861 1.775 1.497 1.997 . 0 0 "[ . 1 . 2 . ]" 1
476 1 84 LEU HB3 1 86 ILE MG 3.835 . 4.335 4.459 4.325 4.557 0.222 1 0 "[ . 1 . 2 . ]" 1
477 1 84 LEU QD 1 86 ILE MD 4.820 . 5.320 1.745 1.579 2.144 . 0 0 "[ . 1 . 2 . ]" 1
478 1 84 LEU HG 1 86 ILE HG13 3.542 . 4.042 4.258 4.049 4.445 0.403 18 0 "[ . 1 . 2 . ]" 1
479 1 85 HIS H 1 85 HIS HA 2.980 . 3.480 2.940 2.930 2.949 . 0 0 "[ . 1 . 2 . ]" 1
480 1 85 HIS H 1 85 HIS QB 3.634 . 4.134 2.574 2.449 2.694 . 0 0 "[ . 1 . 2 . ]" 1
481 1 85 HIS H 1 86 ILE H 3.448 . 3.948 3.781 3.671 3.857 . 0 0 "[ . 1 . 2 . ]" 1
482 1 85 HIS HA 1 86 ILE H 2.349 . 2.849 2.129 2.071 2.181 . 0 0 "[ . 1 . 2 . ]" 1
483 1 86 ILE H 1 86 ILE HA 2.942 . 3.442 2.933 2.921 2.944 . 0 0 "[ . 1 . 2 . ]" 1
484 1 86 ILE H 1 86 ILE HB 2.685 . 3.185 2.604 2.533 2.710 . 0 0 "[ . 1 . 2 . ]" 1
485 1 86 ILE H 1 87 THR H 3.053 . 3.553 3.892 3.820 3.936 0.383 11 0 "[ . 1 . 2 . ]" 1
486 1 86 ILE HA 1 87 THR H 2.272 . 2.772 2.046 1.970 2.083 . 0 0 "[ . 1 . 2 . ]" 1
487 1 86 ILE HB 1 87 THR H 3.327 . 3.827 4.228 4.164 4.261 0.434 3 0 "[ . 1 . 2 . ]" 1
488 1 86 ILE MG 1 89 ALA HA 4.335 . 4.835 3.613 3.386 3.813 . 0 0 "[ . 1 . 2 . ]" 1
489 1 87 THR H 1 87 THR HA 2.892 . 3.392 2.855 2.837 2.871 . 0 0 "[ . 1 . 2 . ]" 1
490 1 87 THR H 1 87 THR HB 3.024 . 3.524 3.646 3.587 3.760 0.236 24 0 "[ . 1 . 2 . ]" 1
491 1 87 THR H 1 87 THR MG 3.679 . 4.179 2.538 2.276 2.734 . 0 0 "[ . 1 . 2 . ]" 1
492 1 87 THR H 1 88 ASP H 3.255 . 3.755 4.203 4.145 4.240 0.485 22 0 "[ . 1 . 2 . ]" 1
493 1 87 THR HA 1 88 ASP H 2.387 . 2.887 2.092 1.924 2.240 . 0 0 "[ . 1 . 2 . ]" 1
494 1 87 THR HB 1 88 ASP H 2.748 . 3.248 2.420 2.008 2.942 . 0 0 "[ . 1 . 2 . ]" 1
495 1 87 THR MG 1 88 ASP QB 4.504 . 5.004 4.844 4.367 5.025 0.021 20 0 "[ . 1 . 2 . ]" 1
496 1 88 ASP H 1 88 ASP HA 2.362 . 2.862 2.265 2.213 2.344 . 0 0 "[ . 1 . 2 . ]" 1
497 1 88 ASP H 1 88 ASP QB 2.944 . 3.444 3.040 2.755 3.257 . 0 0 "[ . 1 . 2 . ]" 1
498 1 88 ASP H 1 89 ALA H 2.569 . 3.069 2.952 2.373 3.242 0.173 16 0 "[ . 1 . 2 . ]" 1
499 1 88 ASP HA 1 89 ALA H 2.316 . 2.816 2.204 1.813 2.768 . 0 0 "[ . 1 . 2 . ]" 1
500 1 88 ASP QB 1 89 ALA H 3.144 . 3.644 3.672 3.533 3.873 0.229 13 0 "[ . 1 . 2 . ]" 1
501 1 89 ALA H 1 89 ALA HA 2.532 . 3.032 2.819 2.709 2.925 . 0 0 "[ . 1 . 2 . ]" 1
502 1 89 ALA H 1 89 ALA MB 3.166 . 3.666 2.247 2.187 2.356 . 0 0 "[ . 1 . 2 . ]" 1
503 1 89 ALA HA 1 90 GLN H 2.933 . 3.433 2.126 2.083 2.178 . 0 0 "[ . 1 . 2 . ]" 1
504 1 89 ALA MB 1 90 GLN H 4.328 . 4.828 3.260 2.955 3.536 . 0 0 "[ . 1 . 2 . ]" 1
505 1 90 GLN H 1 90 GLN QG 4.480 . 4.980 3.550 2.328 3.919 . 0 0 "[ . 1 . 2 . ]" 1
506 1 92 ALA HA 1 93 PHE H 2.638 . 3.138 3.145 3.007 3.261 0.123 13 0 "[ . 1 . 2 . ]" 1
507 1 93 PHE H 1 93 PHE HA 2.611 . 3.111 2.903 2.827 2.942 . 0 0 "[ . 1 . 2 . ]" 1
508 1 93 PHE H 1 93 PHE HB2 2.624 . 3.124 2.167 2.073 2.289 . 0 0 "[ . 1 . 2 . ]" 1
509 1 93 PHE H 1 93 PHE HB3 2.723 . 3.223 3.338 2.834 3.534 0.311 28 0 "[ . 1 . 2 . ]" 1
510 1 93 PHE H 1 93 PHE QD 4.806 . 5.306 3.735 3.236 4.084 . 0 0 "[ . 1 . 2 . ]" 1
511 1 93 PHE H 1 94 THR H 2.497 . 2.997 2.328 2.157 2.732 . 0 0 "[ . 1 . 2 . ]" 1
512 1 93 PHE HA 1 94 THR H 2.955 . 3.455 3.410 3.234 3.577 0.122 27 0 "[ . 1 . 2 . ]" 1
513 1 93 PHE HB2 1 94 THR H 3.294 . 3.794 3.278 2.517 3.842 0.048 23 0 "[ . 1 . 2 . ]" 1
514 1 93 PHE HB2 1 116 VAL MG1 4.605 . 5.105 2.711 2.323 3.232 . 0 0 "[ . 1 . 2 . ]" 1
515 1 93 PHE HB3 1 94 THR H 3.324 . 3.824 3.483 2.972 3.914 0.090 4 0 "[ . 1 . 2 . ]" 1
516 1 93 PHE HB3 1 114 LEU MD2 4.541 . 5.041 2.208 1.688 2.529 . 0 0 "[ . 1 . 2 . ]" 1
517 1 93 PHE HB3 1 116 VAL MG1 4.579 . 5.079 3.537 2.905 4.057 . 0 0 "[ . 1 . 2 . ]" 1
518 1 94 THR H 1 94 THR HB 2.157 . 2.657 3.010 2.606 3.569 0.912 16 6 "[ * . *1 -.+ 2 . ** ]" 1
519 1 94 THR H 1 94 THR MG 3.593 . 4.093 3.744 2.732 3.910 . 0 0 "[ . 1 . 2 . ]" 1
520 1 94 THR H 1 95 GLY H 3.113 . 3.613 3.693 2.983 4.092 0.479 14 0 "[ . 1 . 2 . ]" 1
521 1 94 THR HA 1 115 THR HA 2.800 . 3.300 2.912 2.565 3.810 0.510 14 1 "[ . 1 +. 2 . ]" 1
522 1 94 THR HB 1 95 GLY H 2.275 . 2.775 4.233 2.071 4.395 1.620 6 28 "[***-*+******* ***************]" 1
523 1 94 THR MG 1 95 GLY H 3.459 . 3.959 3.372 2.718 3.855 . 0 0 "[ . 1 . 2 . ]" 1
524 1 94 THR MG 1 96 GLY H 4.620 . 5.120 4.787 3.669 5.999 0.879 8 1 "[ . + 1 . 2 . ]" 1
525 1 95 GLY H 1 95 GLY HA2 2.828 . 3.328 2.753 2.576 2.928 . 0 0 "[ . 1 . 2 . ]" 1
526 1 95 GLY H 1 95 GLY HA3 2.789 . 3.289 2.380 2.219 2.938 . 0 0 "[ . 1 . 2 . ]" 1
527 1 95 GLY H 1 96 GLY H 3.393 . 3.893 4.007 3.621 4.208 0.315 1 0 "[ . 1 . 2 . ]" 1
528 1 95 GLY H 1 97 TYR QE 5.188 . 5.688 3.602 3.094 4.521 . 0 0 "[ . 1 . 2 . ]" 1
529 1 95 GLY H 1 114 LEU H 3.049 . 3.549 2.776 2.482 3.235 . 0 0 "[ . 1 . 2 . ]" 1
530 1 95 GLY H 1 116 VAL H 4.195 . 4.202 3.973 3.706 4.334 0.132 14 0 "[ . 1 . 2 . ]" 1
531 1 95 GLY HA2 1 96 GLY H 2.579 . 3.079 2.327 1.907 3.369 0.290 14 0 "[ . 1 . 2 . ]" 1
532 1 95 GLY HA3 1 96 GLY H 2.570 . 3.070 2.986 1.983 3.379 0.309 23 0 "[ . 1 . 2 . ]" 1
533 1 96 GLY H 1 96 GLY HA2 2.743 . 3.243 2.890 2.824 2.926 . 0 0 "[ . 1 . 2 . ]" 1
534 1 96 GLY H 1 96 GLY HA3 2.584 . 3.084 2.466 2.313 2.757 . 0 0 "[ . 1 . 2 . ]" 1
535 1 96 GLY H 1 97 TYR H 3.181 . 3.681 3.564 2.999 3.894 0.213 14 0 "[ . 1 . 2 . ]" 1
536 1 96 GLY H 1 97 TYR QD 5.619 . 6.119 3.892 3.411 3.991 . 0 0 "[ . 1 . 2 . ]" 1
537 1 96 GLY HA2 1 97 TYR H 2.740 . 3.240 2.231 1.945 2.464 . 0 0 "[ . 1 . 2 . ]" 1
538 1 96 GLY HA2 1 114 LEU H 3.627 . 4.127 3.585 2.834 4.143 0.016 4 0 "[ . 1 . 2 . ]" 1
539 1 96 GLY HA3 1 97 TYR H 2.739 . 3.239 3.367 3.100 3.487 0.248 19 0 "[ . 1 . 2 . ]" 1
540 1 97 TYR H 1 97 TYR HB2 3.145 . 3.645 2.424 2.366 2.566 . 0 0 "[ . 1 . 2 . ]" 1
541 1 97 TYR H 1 97 TYR HB3 3.336 . 3.836 3.577 3.544 3.627 . 0 0 "[ . 1 . 2 . ]" 1
542 1 97 TYR H 1 97 TYR QD 4.818 . 5.318 1.905 1.665 2.201 . 0 0 "[ . 1 . 2 . ]" 1
543 1 97 TYR H 1 112 PHE H 3.102 . 3.602 3.745 3.610 3.835 0.233 10 0 "[ . 1 . 2 . ]" 1
544 1 97 TYR H 1 113 ASN HA 3.043 . 3.543 3.190 2.804 3.672 0.129 29 0 "[ . 1 . 2 . ]" 1
545 1 97 TYR H 1 114 LEU H 3.641 . 4.131 4.046 3.825 4.128 . 0 0 "[ . 1 . 2 . ]" 1
546 1 97 TYR HA 1 98 ARG H 2.836 . 3.336 2.213 2.156 2.270 . 0 0 "[ . 1 . 2 . ]" 1
547 1 97 TYR QD 1 98 ARG H 5.182 . 5.682 4.615 4.287 4.834 . 0 0 "[ . 1 . 2 . ]" 1
548 1 98 ARG HA 1 99 CYS H 2.878 . 3.378 2.163 2.100 2.305 . 0 0 "[ . 1 . 2 . ]" 1
549 1 98 ARG HA 1 112 PHE H 3.099 . 3.599 3.622 3.313 3.834 0.235 17 0 "[ . 1 . 2 . ]" 1
550 1 99 CYS H 1 99 CYS HB2 3.420 . 3.920 2.630 2.375 3.167 . 0 0 "[ . 1 . 2 . ]" 1
551 1 99 CYS H 1 99 CYS HB3 3.350 . 3.850 3.193 2.715 3.847 . 0 0 "[ . 1 . 2 . ]" 1
552 1 99 CYS H 1 110 SER H 3.251 . 3.751 2.957 2.505 3.344 . 0 0 "[ . 1 . 2 . ]" 1
553 1 99 CYS H 1 111 ASN HA 3.470 . 3.970 3.967 3.572 4.214 0.244 16 0 "[ . 1 . 2 . ]" 1
554 1 99 CYS HA 1 100 GLU H 2.599 . 3.099 2.104 2.028 2.167 . 0 0 "[ . 1 . 2 . ]" 1
555 1 99 CYS HB2 1 100 GLU H 3.705 . 4.205 4.217 3.905 4.408 0.203 15 0 "[ . 1 . 2 . ]" 1
556 1 99 CYS HB3 1 100 GLU H 3.348 . 3.848 3.719 3.091 4.035 0.187 15 0 "[ . 1 . 2 . ]" 1
557 1 100 GLU H 1 100 GLU HB2 3.255 . 3.755 2.862 2.490 3.254 . 0 0 "[ . 1 . 2 . ]" 1
558 1 100 GLU H 1 100 GLU HB3 3.232 . 3.732 3.293 2.602 3.834 0.102 8 0 "[ . 1 . 2 . ]" 1
559 1 100 GLU HA 1 101 VAL H 2.684 . 3.184 2.175 2.127 2.217 . 0 0 "[ . 1 . 2 . ]" 1
560 1 100 GLU HA 1 109 CYS HA 2.800 . 3.300 2.363 2.255 2.470 . 0 0 "[ . 1 . 2 . ]" 1
561 1 100 GLU HA 1 110 SER H 3.090 . 3.590 3.681 3.573 3.778 0.188 27 0 "[ . 1 . 2 . ]" 1
562 1 101 VAL H 1 101 VAL HA 2.983 . 3.483 2.930 2.915 2.941 . 0 0 "[ . 1 . 2 . ]" 1
563 1 101 VAL H 1 101 VAL HB 3.096 . 3.596 3.043 2.666 3.182 . 0 0 "[ . 1 . 2 . ]" 1
564 1 101 VAL H 1 109 CYS HA 3.283 . 3.783 3.301 3.035 3.447 . 0 0 "[ . 1 . 2 . ]" 1
565 1 101 VAL HA 1 102 SER H 2.355 . 2.855 2.145 2.045 2.210 . 0 0 "[ . 1 . 2 . ]" 1
566 1 101 VAL HB 1 102 SER H 3.227 . 3.727 3.854 3.795 3.929 0.202 15 0 "[ . 1 . 2 . ]" 1
567 1 102 SER H 1 102 SER HA 2.968 . 3.468 2.931 2.923 2.943 . 0 0 "[ . 1 . 2 . ]" 1
568 1 102 SER H 1 103 THR H 3.342 . 3.842 3.952 3.906 4.018 0.176 10 0 "[ . 1 . 2 . ]" 1
569 1 102 SER HA 1 103 THR H 2.227 . 2.727 2.112 2.081 2.136 . 0 0 "[ . 1 . 2 . ]" 1
570 1 102 SER HA 1 107 PHE HA 2.800 . 3.300 3.141 2.901 3.317 0.017 3 0 "[ . 1 . 2 . ]" 1
571 1 102 SER QB 1 103 THR H 3.539 . 4.039 3.787 3.459 3.919 . 0 0 "[ . 1 . 2 . ]" 1
572 1 103 THR H 1 103 THR HA 2.601 . 3.101 2.947 2.936 2.966 . 0 0 "[ . 1 . 2 . ]" 1
573 1 103 THR H 1 103 THR HB 3.518 . 4.018 2.999 2.819 3.611 . 0 0 "[ . 1 . 2 . ]" 1
574 1 103 THR H 1 106 LYS H 2.870 . 3.370 3.516 3.318 3.566 0.196 2 0 "[ . 1 . 2 . ]" 1
575 1 103 THR H 1 107 PHE QD 5.509 . 6.009 4.232 3.970 4.413 . 0 0 "[ . 1 . 2 . ]" 1
576 1 103 THR HB 1 104 LYS H 3.771 . 4.271 3.141 1.873 3.420 . 0 0 "[ . 1 . 2 . ]" 1
577 1 104 LYS H 1 104 LYS HB2 3.608 . 4.108 3.822 3.597 3.942 . 0 0 "[ . 1 . 2 . ]" 1
578 1 104 LYS H 1 104 LYS HB3 3.515 . 4.015 3.033 2.818 3.176 . 0 0 "[ . 1 . 2 . ]" 1
579 1 104 LYS HA 1 105 ASP H 2.925 . 3.425 3.490 3.451 3.527 0.102 19 0 "[ . 1 . 2 . ]" 1
580 1 104 LYS HB2 1 105 ASP H 2.998 . 3.498 2.623 2.298 3.038 . 0 0 "[ . 1 . 2 . ]" 1
581 1 104 LYS HB3 1 105 ASP H 3.192 . 3.692 3.733 3.525 3.957 0.265 11 0 "[ . 1 . 2 . ]" 1
582 1 105 ASP H 1 105 ASP HA 2.259 . 2.759 2.850 2.817 2.866 0.107 20 0 "[ . 1 . 2 . ]" 1
583 1 105 ASP H 1 105 ASP HB2 3.180 . 3.680 3.019 2.848 3.184 . 0 0 "[ . 1 . 2 . ]" 1
584 1 105 ASP H 1 105 ASP HB3 2.963 . 3.463 3.085 2.854 3.445 . 0 0 "[ . 1 . 2 . ]" 1
585 1 105 ASP H 1 106 LYS H 2.550 . 3.050 1.617 1.535 1.743 . 0 0 "[ . 1 . 2 . ]" 1
586 1 105 ASP HB2 1 106 LYS H 3.368 . 3.868 4.140 3.983 4.266 0.398 23 0 "[ . 1 . 2 . ]" 1
587 1 105 ASP HB3 1 106 LYS H 3.110 . 3.610 3.602 3.360 3.765 0.155 11 0 "[ . 1 . 2 . ]" 1
588 1 106 LYS H 1 106 LYS HA 2.360 . 2.860 2.889 2.877 2.908 0.048 11 0 "[ . 1 . 2 . ]" 1
589 1 106 LYS H 1 106 LYS QB 2.763 . 3.263 2.428 2.344 2.535 . 0 0 "[ . 1 . 2 . ]" 1
590 1 106 LYS H 1 106 LYS QG 3.686 . 4.186 3.715 3.361 4.069 . 0 0 "[ . 1 . 2 . ]" 1
591 1 106 LYS H 1 107 PHE H 3.643 . 4.143 4.309 4.219 4.333 0.190 5 0 "[ . 1 . 2 . ]" 1
592 1 106 LYS QB 1 107 PHE H 2.825 . 3.325 3.182 2.440 3.504 0.179 13 0 "[ . 1 . 2 . ]" 1
593 1 106 LYS QG 1 107 PHE H 3.915 . 4.415 3.391 2.391 3.994 . 0 0 "[ . 1 . 2 . ]" 1
594 1 107 PHE H 1 107 PHE HA 2.973 . 3.473 2.926 2.904 2.942 . 0 0 "[ . 1 . 2 . ]" 1
595 1 107 PHE H 1 107 PHE HB2 2.806 . 3.306 3.000 2.734 3.365 0.059 24 0 "[ . 1 . 2 . ]" 1
596 1 107 PHE H 1 107 PHE HB3 2.975 . 3.475 2.790 2.521 3.042 . 0 0 "[ . 1 . 2 . ]" 1
597 1 107 PHE H 1 107 PHE QD 5.374 . 5.874 4.351 4.089 4.413 . 0 0 "[ . 1 . 2 . ]" 1
598 1 107 PHE HA 1 108 ASP H 2.579 . 3.079 2.095 1.983 2.210 . 0 0 "[ . 1 . 2 . ]" 1
599 1 107 PHE HB2 1 108 ASP H 3.420 . 3.920 4.148 3.835 4.267 0.347 11 0 "[ . 1 . 2 . ]" 1
600 1 107 PHE HB3 1 108 ASP H 3.428 . 3.928 3.952 3.677 4.169 0.241 24 0 "[ . 1 . 2 . ]" 1
601 1 108 ASP H 1 108 ASP HB2 3.411 . 3.911 2.957 2.673 3.450 . 0 0 "[ . 1 . 2 . ]" 1
602 1 108 ASP H 1 108 ASP HB3 3.671 . 4.171 3.691 3.240 3.887 . 0 0 "[ . 1 . 2 . ]" 1
603 1 108 ASP HA 1 109 CYS H 2.488 . 2.988 2.318 2.181 2.511 . 0 0 "[ . 1 . 2 . ]" 1
604 1 108 ASP HB2 1 109 CYS H 3.447 . 3.947 4.001 3.879 4.116 0.169 22 0 "[ . 1 . 2 . ]" 1
605 1 108 ASP HB3 1 109 CYS H 3.435 . 3.935 2.913 2.566 3.331 . 0 0 "[ . 1 . 2 . ]" 1
606 1 109 CYS H 1 109 CYS HB2 3.398 . 3.898 3.489 2.840 3.933 0.035 2 0 "[ . 1 . 2 . ]" 1
607 1 109 CYS H 1 109 CYS HB3 3.378 . 3.878 3.662 3.304 3.954 0.076 8 0 "[ . 1 . 2 . ]" 1
608 1 109 CYS HA 1 110 SER H 2.726 . 3.226 2.240 2.148 2.310 . 0 0 "[ . 1 . 2 . ]" 1
609 1 109 CYS HB2 1 110 SER H 3.198 . 3.698 3.167 2.567 3.825 0.127 28 0 "[ . 1 . 2 . ]" 1
610 1 109 CYS HB3 1 110 SER H 3.226 . 3.726 3.392 2.665 3.857 0.131 13 0 "[ . 1 . 2 . ]" 1
611 1 110 SER H 1 110 SER HB2 3.379 . 3.879 3.724 3.258 3.887 0.008 19 0 "[ . 1 . 2 . ]" 1
612 1 110 SER H 1 110 SER HB3 3.459 . 3.959 3.158 2.609 3.533 . 0 0 "[ . 1 . 2 . ]" 1
613 1 110 SER HA 1 111 ASN H 2.755 . 3.255 2.169 2.099 2.292 . 0 0 "[ . 1 . 2 . ]" 1
614 1 110 SER HB2 1 111 ASN H 3.979 . 4.479 3.131 2.584 3.655 . 0 0 "[ . 1 . 2 . ]" 1
615 1 111 ASN H 1 111 ASN HB2 3.280 . 3.780 3.736 3.206 3.909 0.129 13 0 "[ . 1 . 2 . ]" 1
616 1 111 ASN H 1 111 ASN HB3 3.372 . 3.872 3.142 2.327 3.537 . 0 0 "[ . 1 . 2 . ]" 1
617 1 111 ASN HA 1 112 PHE H 2.414 . 2.914 2.161 2.094 2.305 . 0 0 "[ . 1 . 2 . ]" 1
618 1 111 ASN HB2 1 111 ASN HD22 3.458 . 3.958 3.858 3.492 4.087 0.129 2 0 "[ . 1 . 2 . ]" 1
619 1 111 ASN HB3 1 111 ASN HD22 3.374 . 3.874 3.959 3.514 4.108 0.234 16 0 "[ . 1 . 2 . ]" 1
620 1 112 PHE H 1 112 PHE HB2 3.075 . 3.575 3.758 2.416 3.899 0.324 17 0 "[ . 1 . 2 . ]" 1
621 1 112 PHE H 1 112 PHE HB3 3.443 . 3.943 3.515 3.180 3.709 . 0 0 "[ . 1 . 2 . ]" 1
622 1 112 PHE H 1 113 ASN H 3.597 . 4.097 4.184 3.900 4.284 0.187 20 0 "[ . 1 . 2 . ]" 1
623 1 112 PHE HA 1 113 ASN H 2.505 . 3.005 2.153 2.083 2.390 . 0 0 "[ . 1 . 2 . ]" 1
624 1 113 ASN H 1 113 ASN HB2 2.730 . 3.230 3.051 2.380 3.657 0.427 27 0 "[ . 1 . 2 . ]" 1
625 1 113 ASN H 1 113 ASN HB3 2.812 . 3.312 3.347 2.576 3.665 0.353 17 0 "[ . 1 . 2 . ]" 1
626 1 113 ASN H 1 113 ASN HD21 3.281 . 3.781 3.206 2.104 3.841 0.060 2 0 "[ . 1 . 2 . ]" 1
627 1 113 ASN H 1 114 LEU H 3.698 . 4.198 4.362 4.216 4.443 0.245 14 0 "[ . 1 . 2 . ]" 1
628 1 113 ASN HA 1 114 LEU H 2.488 . 2.988 2.089 1.989 2.248 . 0 0 "[ . 1 . 2 . ]" 1
629 1 113 ASN HB2 1 113 ASN HD21 2.722 . 3.222 2.549 2.122 3.427 0.205 1 0 "[ . 1 . 2 . ]" 1
630 1 113 ASN HB2 1 113 ASN HD22 3.004 . 3.504 3.597 3.395 3.983 0.479 27 0 "[ . 1 . 2 . ]" 1
631 1 113 ASN HB2 1 114 LEU H 3.064 . 3.564 3.364 2.586 3.931 0.367 9 0 "[ . 1 . 2 . ]" 1
632 1 113 ASN HB3 1 113 ASN HD21 2.868 . 3.368 2.871 2.138 3.474 0.106 23 0 "[ . 1 . 2 . ]" 1
633 1 113 ASN HB3 1 113 ASN HD22 3.186 . 3.686 3.744 3.427 4.007 0.321 23 0 "[ . 1 . 2 . ]" 1
634 1 113 ASN HB3 1 114 LEU H 2.967 . 3.467 3.311 2.631 3.862 0.395 27 0 "[ . 1 . 2 . ]" 1
635 1 114 LEU H 1 114 LEU HB2 3.175 . 3.675 3.456 3.277 3.588 . 0 0 "[ . 1 . 2 . ]" 1
636 1 114 LEU H 1 114 LEU HB3 3.117 . 3.617 2.468 2.290 2.665 . 0 0 "[ . 1 . 2 . ]" 1
637 1 114 LEU H 1 115 THR H 3.496 . 3.996 4.178 4.057 4.285 0.289 23 0 "[ . 1 . 2 . ]" 1
638 1 114 LEU HA 1 115 THR H 2.559 . 3.059 2.129 2.081 2.182 . 0 0 "[ . 1 . 2 . ]" 1
639 1 115 THR H 1 115 THR HB 2.863 . 3.363 2.698 2.626 2.769 . 0 0 "[ . 1 . 2 . ]" 1
640 1 115 THR H 1 115 THR MG 3.504 . 4.004 3.824 3.795 3.911 . 0 0 "[ . 1 . 2 . ]" 1
641 1 115 THR H 1 116 VAL H 4.137 . 4.186 4.067 3.979 4.121 . 0 0 "[ . 1 . 2 . ]" 1
642 1 115 THR HA 1 116 VAL H 2.421 . 2.921 2.156 2.001 2.208 . 0 0 "[ . 1 . 2 . ]" 1
643 1 116 VAL H 1 116 VAL HA 2.838 . 3.338 2.850 2.830 2.947 . 0 0 "[ . 1 . 2 . ]" 1
644 1 116 VAL H 1 116 VAL HB 2.813 . 3.313 2.808 2.729 3.119 . 0 0 "[ . 1 . 2 . ]" 1
645 1 116 VAL H 1 116 VAL MG1 3.709 . 4.209 1.969 1.855 2.280 . 0 0 "[ . 1 . 2 . ]" 1
646 1 116 VAL H 1 116 VAL MG2 4.041 . 4.541 3.780 3.744 3.932 . 0 0 "[ . 1 . 2 . ]" 1
647 1 116 VAL H 1 117 HIS H 3.461 . 3.961 4.215 4.178 4.261 0.300 8 0 "[ . 1 . 2 . ]" 1
648 1 116 VAL HA 1 117 HIS H 2.202 . 2.702 1.935 1.879 1.979 . 0 0 "[ . 1 . 2 . ]" 1
649 1 116 VAL HB 1 117 HIS H 3.414 . 3.914 4.100 4.029 4.161 0.247 3 0 "[ . 1 . 2 . ]" 1
650 1 117 HIS H 1 117 HIS HA 2.694 . 3.194 2.881 2.842 2.952 . 0 0 "[ . 1 . 2 . ]" 1
651 1 117 HIS H 1 117 HIS QB 3.648 . 4.148 2.386 2.251 2.520 . 0 0 "[ . 1 . 2 . ]" 1
652 1 117 HIS H 1 117 HIS HD2 3.022 . 3.522 3.147 2.511 3.571 0.049 3 0 "[ . 1 . 2 . ]" 1
653 1 117 HIS H 1 118 GLU H 3.062 . 3.562 4.005 3.797 4.077 0.515 29 1 "[ . 1 . 2 . +]" 1
654 1 117 HIS HA 1 118 GLU H 1.969 . 2.469 2.118 2.034 2.295 . 0 0 "[ . 1 . 2 . ]" 1
655 1 117 HIS QB 1 118 GLU H 3.345 . 3.845 3.637 3.548 3.724 . 0 0 "[ . 1 . 2 . ]" 1
656 1 118 GLU H 1 118 GLU HA 2.376 . 2.876 2.833 2.743 2.890 0.014 7 0 "[ . 1 . 2 . ]" 1
657 1 118 GLU H 1 118 GLU HB2 2.299 . 2.799 2.500 2.255 2.744 . 0 0 "[ . 1 . 2 . ]" 1
658 1 118 GLU H 1 118 GLU HB3 2.471 . 2.971 2.602 2.404 2.872 . 0 0 "[ . 1 . 2 . ]" 1
659 1 118 GLU H 1 118 GLU QG 3.470 . 3.970 3.966 3.883 4.009 0.039 5 0 "[ . 1 . 2 . ]" 1
stop_
save_