NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
423440 |
2f77   |
6401 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2f77
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 1259
_Distance_constraint_stats_list.Viol_count 1386
_Distance_constraint_stats_list.Viol_total 1789.104
_Distance_constraint_stats_list.Viol_max 1.493
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0717
_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 1 MET 1.391 0.113 13 0 "[ . 1 . ]"
1 2 GLY 0.390 0.113 13 0 "[ . 1 . ]"
1 3 GLN 1.188 0.154 4 0 "[ . 1 . ]"
1 4 GLU 1.155 0.152 16 0 "[ . 1 . ]"
1 5 LEU 2.492 0.154 4 0 "[ . 1 . ]"
1 6 SER 1.696 0.152 16 0 "[ . 1 . ]"
1 7 GLN 0.729 0.227 4 0 "[ . 1 . ]"
1 8 HIS 1.509 0.227 4 0 "[ . 1 . ]"
1 9 GLU 3.239 0.155 9 0 "[ . 1 . ]"
1 10 ARG 4.009 0.227 6 0 "[ . 1 . ]"
1 11 TYR 1.230 0.124 12 0 "[ . 1 . ]"
1 12 VAL 4.015 0.227 6 0 "[ . 1 . ]"
1 13 GLU 0.263 0.060 18 0 "[ . 1 . ]"
1 14 GLN 0.044 0.036 14 0 "[ . 1 . ]"
1 15 LEU 1.784 0.176 6 0 "[ . 1 . ]"
1 16 LYS 3.424 0.301 2 0 "[ . 1 . ]"
1 17 GLN 1.656 0.147 7 0 "[ . 1 . ]"
1 18 ALA 0.987 0.086 18 0 "[ . 1 . ]"
1 19 LEU 1.666 0.433 2 0 "[ . 1 . ]"
1 20 LYS 2.563 0.204 7 0 "[ . 1 . ]"
1 21 THR 0.083 0.083 13 0 "[ . 1 . ]"
1 22 ARG 2.490 0.433 2 0 "[ . 1 . ]"
1 23 GLY 0.629 0.320 10 0 "[ . 1 . ]"
1 24 VAL 2.605 0.204 7 0 "[ . 1 . ]"
1 25 LYS 2.381 0.301 2 0 "[ . 1 . ]"
1 26 VAL 3.538 0.633 2 2 "[ +- . 1 . ]"
1 27 LYS 3.234 0.633 2 2 "[ +- . 1 . ]"
1 28 TYR 1.907 0.249 2 0 "[ . 1 . ]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 30 ASP 1.723 0.111 14 0 "[ . 1 . ]"
1 31 LEU 1.797 0.322 14 0 "[ . 1 . ]"
1 32 LEU 1.356 0.230 14 0 "[ . 1 . ]"
1 33 LYS 1.120 0.111 9 0 "[ . 1 . ]"
1 34 PHE 1.038 0.322 14 0 "[ . 1 . ]"
1 35 PHE 0.117 0.049 10 0 "[ . 1 . ]"
1 36 ASP 0.521 0.123 8 0 "[ . 1 . ]"
1 37 PHE 1.840 0.116 12 0 "[ . 1 . ]"
1 38 VAL 2.104 0.186 7 0 "[ . 1 . ]"
1 39 LYS 2.832 1.493 3 1 "[ + . 1 . ]"
1 40 ASP 0.672 0.179 7 0 "[ . 1 . ]"
1 41 THR 3.426 0.450 15 0 "[ . 1 . ]"
1 42 CYS 4.651 0.382 6 0 "[ . 1 . ]"
1 43 PRO 7.356 1.493 3 1 "[ + . 1 . ]"
1 44 TRP 2.534 0.446 3 0 "[ . 1 . ]"
1 45 PHE 5.236 0.450 15 0 "[ . 1 . ]"
1 46 PRO 1.037 0.197 3 0 "[ . 1 . ]"
1 47 GLN 0.060 0.060 8 0 "[ . 1 . ]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 50 THR 0.234 0.147 2 0 "[ . 1 . ]"
1 51 ILE 3.232 0.332 14 0 "[ . 1 . ]"
1 52 ASP 0.980 0.166 10 0 "[ . 1 . ]"
1 53 ILE 6.197 0.919 3 1 "[ + . 1 . ]"
1 54 LYS 1.984 0.919 3 1 "[ + . 1 . ]"
1 55 PHE 2.525 0.296 14 0 "[ . 1 . ]"
1 56 TRP 3.116 0.295 8 0 "[ . 1 . ]"
1 57 ARG 3.447 0.295 8 0 "[ . 1 . ]"
1 58 ARG 1.693 0.204 12 0 "[ . 1 . ]"
1 59 VAL 2.960 0.253 12 0 "[ . 1 . ]"
1 60 GLY 0.930 0.123 17 0 "[ . 1 . ]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 62 CYS 0.930 0.123 17 0 "[ . 1 . ]"
1 63 PHE 0.214 0.180 9 0 "[ . 1 . ]"
1 64 GLN 2.783 0.176 12 0 "[ . 1 . ]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 66 TYR 3.001 0.153 6 0 "[ . 1 . ]"
1 67 TYR 0.519 0.073 18 0 "[ . 1 . ]"
1 68 ASN 0.599 0.135 5 0 "[ . 1 . ]"
1 69 THR 0.134 0.134 8 0 "[ . 1 . ]"
1 70 PHE 1.933 0.180 11 0 "[ . 1 . ]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 72 PRO 0.324 0.098 10 0 "[ . 1 . ]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 74 LYS 4.842 0.180 11 0 "[ . 1 . ]"
1 75 VAL 5.649 0.202 7 0 "[ . 1 . ]"
1 76 PRO 1.591 0.101 4 0 "[ . 1 . ]"
1 77 VAL 1.528 0.170 1 0 "[ . 1 . ]"
1 78 THR 1.999 0.202 7 0 "[ . 1 . ]"
1 79 ALA 1.517 0.111 7 0 "[ . 1 . ]"
1 80 PHE 0.326 0.084 11 0 "[ . 1 . ]"
1 81 SER 0.186 0.070 7 0 "[ . 1 . ]"
1 82 TYR 0.487 0.307 11 0 "[ . 1 . ]"
1 83 TRP 3.246 0.161 16 0 "[ . 1 . ]"
1 84 ASN 1.679 0.104 6 0 "[ . 1 . ]"
1 85 LEU 3.015 0.307 11 0 "[ . 1 . ]"
1 86 ILE 5.827 0.233 10 0 "[ . 1 . ]"
1 87 LYS 2.352 0.556 11 1 "[ . 1+ . ]"
1 88 GLU 0.512 0.187 18 0 "[ . 1 . ]"
1 89 LEU 0.908 0.669 12 1 "[ . 1 + . ]"
1 90 ILE 4.411 0.233 10 0 "[ . 1 . ]"
1 91 ASP 3.014 0.556 11 1 "[ . 1+ . ]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 93 LYS 0.916 0.156 17 0 "[ . 1 . ]"
1 94 GLU 0.850 0.135 1 0 "[ . 1 . ]"
1 95 VAL 4.318 0.241 1 0 "[ . 1 . ]"
1 96 ASN 1.440 0.509 6 1 "[ .+ 1 . ]"
1 97 PRO 4.245 0.509 6 1 "[ .+ 1 . ]"
1 98 GLN 2.589 0.485 9 0 "[ . 1 . ]"
1 99 VAL 0.112 0.042 9 0 "[ . 1 . ]"
1 100 MET 1.083 0.155 16 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LEU H 1 5 LEU QB 2.600 . 3.400 2.359 2.320 2.428 . 0 0 "[ . 1 . ]" 1
2 1 5 LEU QB 1 6 SER H 4.100 . 6.000 3.683 3.613 3.829 . 0 0 "[ . 1 . ]" 1
3 1 6 SER HB3 1 7 GLN H 2.800 . 3.800 3.748 3.618 3.914 0.114 8 0 "[ . 1 . ]" 1
4 1 8 HIS H 1 8 HIS HD2 4.800 . 6.000 4.518 1.985 5.225 . 0 0 "[ . 1 . ]" 1
5 1 8 HIS H 1 9 GLU H 2.900 . 4.000 2.682 2.642 2.732 . 0 0 "[ . 1 . ]" 1
6 1 10 ARG H 1 10 ARG QB 2.700 . 3.600 2.352 2.324 2.378 . 0 0 "[ . 1 . ]" 1
7 1 12 VAL H 1 13 GLU H 3.200 . 4.500 2.667 2.561 2.756 . 0 0 "[ . 1 . ]" 1
8 1 13 GLU HA 1 14 GLN H 4.200 . 6.000 3.571 3.540 3.583 . 0 0 "[ . 1 . ]" 1
9 1 14 GLN H 1 15 LEU H 3.100 . 4.300 2.625 2.585 2.676 . 0 0 "[ . 1 . ]" 1
10 1 15 LEU H 1 15 LEU HB3 2.500 . 3.300 2.512 2.461 2.567 . 0 0 "[ . 1 . ]" 1
11 1 15 LEU H 1 16 LYS H 3.000 . 4.200 2.687 2.657 2.715 . 0 0 "[ . 1 . ]" 1
12 1 16 LYS H 1 16 LYS HB3 2.900 . 3.900 2.605 2.547 2.668 . 0 0 "[ . 1 . ]" 1
13 1 16 LYS H 1 16 LYS HB2 2.800 . 3.800 2.504 2.442 2.562 . 0 0 "[ . 1 . ]" 1
14 1 16 LYS H 1 31 LEU MD1 4.500 . 6.500 4.638 3.623 5.172 . 0 0 "[ . 1 . ]" 1
15 1 16 LYS HA 1 17 GLN H 2.400 . 6.000 3.559 3.545 3.572 . 0 0 "[ . 1 . ]" 1
16 1 16 LYS HG2 1 17 GLN H 4.500 . 6.000 3.805 3.703 3.905 . 0 0 "[ . 1 . ]" 1
17 1 17 GLN H 1 17 GLN QB 2.100 . 2.600 2.447 2.378 2.521 . 0 0 "[ . 1 . ]" 1
18 1 18 ALA H 1 18 ALA MB 2.800 . 3.700 2.161 2.044 2.257 . 0 0 "[ . 1 . ]" 1
19 1 17 GLN QB 1 18 ALA H 3.000 . 4.100 2.447 2.361 2.504 . 0 0 "[ . 1 . ]" 1
20 1 16 LYS HA 1 18 ALA H 5.000 . 6.000 4.435 4.309 4.515 . 0 0 "[ . 1 . ]" 1
21 1 18 ALA MB 1 19 LEU H 3.500 . 5.000 2.612 2.483 2.720 . 0 0 "[ . 1 . ]" 1
22 1 21 THR H 1 22 ARG H 3.100 . 4.300 2.636 2.454 2.769 . 0 0 "[ . 1 . ]" 1
23 1 20 LYS QB 1 21 THR H 3.500 . 4.700 2.559 2.477 2.768 . 0 0 "[ . 1 . ]" 1
24 1 20 LYS QG 1 21 THR H 4.500 . 6.000 3.864 3.638 4.126 . 0 0 "[ . 1 . ]" 1
25 1 21 THR HA 1 22 ARG H 3.700 . 5.400 3.519 3.409 3.555 . 0 0 "[ . 1 . ]" 1
26 1 22 ARG H 1 22 ARG HB2 3.800 . 5.600 2.468 2.366 3.527 . 0 0 "[ . 1 . ]" 1
27 1 19 LEU HA 1 22 ARG HB2 3.500 . 5.000 2.852 2.513 4.371 . 0 0 "[ . 1 . ]" 1
28 1 22 ARG H 1 23 GLY H 3.000 . 4.100 2.512 2.442 2.578 . 0 0 "[ . 1 . ]" 1
29 1 22 ARG HA 1 23 GLY H 3.700 . 5.400 3.419 3.232 3.453 . 0 0 "[ . 1 . ]" 1
30 1 22 ARG H 1 24 VAL H 3.300 . 4.800 4.023 3.470 4.235 . 0 0 "[ . 1 . ]" 1
31 1 23 GLY HA2 1 24 VAL H 4.600 . 6.000 2.761 2.691 2.872 . 0 0 "[ . 1 . ]" 1
32 1 24 VAL HA 1 25 LYS H 2.400 . 3.100 2.219 2.208 2.237 . 0 0 "[ . 1 . ]" 1
33 1 25 LYS H 1 25 LYS QB 2.800 . 3.800 2.637 2.559 2.747 . 0 0 "[ . 1 . ]" 1
34 1 25 LYS HA 1 26 VAL H 2.800 . 3.800 2.264 2.193 2.322 . 0 0 "[ . 1 . ]" 1
35 1 27 LYS H 1 27 LYS QB 2.900 . 4.000 2.399 2.356 2.448 . 0 0 "[ . 1 . ]" 1
36 1 26 VAL MG2 1 27 LYS H 4.000 . 6.000 3.540 3.411 3.793 . 0 0 "[ . 1 . ]" 1
37 1 29 ALA H 1 30 ASP H 3.200 . 4.400 2.725 2.642 2.766 . 0 0 "[ . 1 . ]" 1
38 1 28 TYR QB 1 29 ALA H 3.200 . 4.400 2.621 2.516 2.707 . 0 0 "[ . 1 . ]" 1
39 1 29 ALA H 1 30 ASP HA 5.300 . 6.000 5.354 5.266 5.387 . 0 0 "[ . 1 . ]" 1
40 1 29 ALA H 1 29 ALA MB 2.800 . 3.800 2.119 2.047 2.254 . 0 0 "[ . 1 . ]" 1
41 1 29 ALA H 1 31 LEU MD2 4.500 . 6.500 4.931 4.668 6.045 . 0 0 "[ . 1 . ]" 1
42 1 30 ASP H 1 31 LEU H 3.000 . 4.100 2.719 2.667 2.803 . 0 0 "[ . 1 . ]" 1
43 1 31 LEU H 1 32 LEU H 3.200 . 4.500 2.733 2.713 2.755 . 0 0 "[ . 1 . ]" 1
44 1 30 ASP HA 1 31 LEU H 3.700 . 5.400 3.556 3.544 3.582 . 0 0 "[ . 1 . ]" 1
45 1 30 ASP QB 1 31 LEU H 3.400 . 4.800 2.569 2.394 2.706 . 0 0 "[ . 1 . ]" 1
46 1 31 LEU H 1 31 LEU HB3 3.300 . 4.600 3.565 3.542 3.599 . 0 0 "[ . 1 . ]" 1
47 1 31 LEU H 1 31 LEU HB2 3.000 . 4.100 2.295 2.224 2.744 . 0 0 "[ . 1 . ]" 1
48 1 31 LEU H 1 31 LEU MD2 3.900 . 5.800 1.845 1.749 2.375 0.051 10 0 "[ . 1 . ]" 1
49 1 26 VAL HB 1 31 LEU H 5.000 . 6.000 5.224 4.874 5.964 . 0 0 "[ . 1 . ]" 1
50 1 32 LEU H 1 33 LYS H 2.200 . 2.800 2.694 2.646 2.716 . 0 0 "[ . 1 . ]" 1
51 1 32 LEU H 1 32 LEU HB3 3.700 . 5.400 3.612 3.607 3.616 . 0 0 "[ . 1 . ]" 1
52 1 32 LEU H 1 32 LEU HB2 3.300 . 4.600 2.446 2.412 2.485 . 0 0 "[ . 1 . ]" 1
53 1 30 ASP HA 1 33 LYS H 3.700 . 5.400 3.422 3.353 3.547 . 0 0 "[ . 1 . ]" 1
54 1 33 LYS H 1 35 PHE HB2 4.500 . 6.000 5.511 5.365 5.688 . 0 0 "[ . 1 . ]" 1
55 1 32 LEU HA 1 33 LYS H 4.500 . 6.000 3.562 3.554 3.567 . 0 0 "[ . 1 . ]" 1
56 1 34 PHE H 1 34 PHE QB 2.900 . 3.900 2.261 2.226 2.276 . 0 0 "[ . 1 . ]" 1
57 1 33 LYS QB 1 34 PHE H 3.500 . 5.000 2.680 2.609 2.786 . 0 0 "[ . 1 . ]" 1
58 1 31 LEU MD1 1 34 PHE H 4.500 . 6.000 4.909 4.754 6.322 0.322 14 0 "[ . 1 . ]" 1
59 1 31 LEU HB2 1 34 PHE H 4.500 . 6.000 5.487 5.262 5.596 . 0 0 "[ . 1 . ]" 1
60 1 35 PHE H 1 35 PHE HB2 2.900 . 4.000 2.366 2.246 2.491 . 0 0 "[ . 1 . ]" 1
61 1 38 VAL H 1 39 LYS H 3.400 . 4.900 2.793 2.754 2.840 . 0 0 "[ . 1 . ]" 1
62 1 36 ASP HA 1 39 LYS H 3.800 . 5.600 3.568 3.460 3.659 . 0 0 "[ . 1 . ]" 1
63 1 38 VAL HB 1 39 LYS H 3.500 . 5.000 2.483 2.390 2.630 . 0 0 "[ . 1 . ]" 1
64 1 39 LYS H 1 44 TRP HZ3 4.500 . 6.000 5.527 4.695 6.411 0.411 3 0 "[ . 1 . ]" 1
65 1 40 ASP H 1 40 ASP HB2 2.800 . 3.800 2.372 2.239 2.456 . 0 0 "[ . 1 . ]" 1
66 1 39 LYS HB3 1 40 ASP H 4.000 . 5.500 3.610 2.756 3.929 . 0 0 "[ . 1 . ]" 1
67 1 39 LYS HB2 1 40 ASP H 4.000 . 5.500 2.990 2.704 3.755 . 0 0 "[ . 1 . ]" 1
68 1 36 ASP HB2 1 40 ASP H 5.000 . 6.000 5.863 5.687 6.123 0.123 8 0 "[ . 1 . ]" 1
69 1 41 THR H 1 41 THR HB 3.700 . 5.400 2.750 2.572 2.861 . 0 0 "[ . 1 . ]" 1
70 1 38 VAL HA 1 41 THR HB 4.500 . 6.000 3.988 3.537 4.789 . 0 0 "[ . 1 . ]" 1
71 1 41 THR H 1 42 CYS H 3.100 . 4.300 2.950 2.808 3.086 . 0 0 "[ . 1 . ]" 1
72 1 44 TRP H 1 45 PHE H 3.500 . 4.500 4.085 3.606 4.353 . 0 0 "[ . 1 . ]" 1
73 1 41 THR H 1 44 TRP H 3.100 . 4.600 4.509 4.386 4.786 0.186 3 0 "[ . 1 . ]" 1
74 1 44 TRP H 1 44 TRP HB3 3.700 . 5.400 3.823 3.189 3.973 . 0 0 "[ . 1 . ]" 1
75 1 45 PHE H 1 46 PRO HA 3.900 . 5.800 4.703 4.067 5.388 . 0 0 "[ . 1 . ]" 1
76 1 45 PHE H 1 45 PHE HB2 3.400 . 4.800 2.950 2.081 3.954 . 0 0 "[ . 1 . ]" 1
77 1 51 ILE HA 1 52 ASP H 3.000 . 4.100 2.220 2.198 2.249 . 0 0 "[ . 1 . ]" 1
78 1 52 ASP HB2 1 53 ILE H 4.200 . 6.000 4.274 4.135 4.439 . 0 0 "[ . 1 . ]" 1
79 1 53 ILE H 1 53 ILE HB 3.000 . 4.100 2.537 2.390 2.655 . 0 0 "[ . 1 . ]" 1
80 1 53 ILE H 1 53 ILE MG 3.600 . 5.200 3.769 3.749 3.782 . 0 0 "[ . 1 . ]" 1
81 1 54 LYS H 1 55 PHE H 3.100 . 4.300 2.679 2.602 2.792 . 0 0 "[ . 1 . ]" 1
82 1 53 ILE H 1 54 LYS H 3.300 . 4.700 2.638 2.527 2.846 . 0 0 "[ . 1 . ]" 1
83 1 54 LYS H 1 54 LYS HB3 2.900 . 4.000 3.558 2.612 3.621 . 0 0 "[ . 1 . ]" 1
84 1 54 LYS H 1 54 LYS HB2 4.300 . 6.000 2.451 2.380 2.535 . 0 0 "[ . 1 . ]" 1
85 1 55 PHE H 1 56 TRP H 3.200 . 4.500 2.434 2.377 2.567 . 0 0 "[ . 1 . ]" 1
86 1 55 PHE H 1 55 PHE HB3 3.000 . 4.500 2.865 2.491 3.646 . 0 0 "[ . 1 . ]" 1
87 1 54 LYS HB3 1 55 PHE H 3.900 . 5.800 3.570 2.610 3.709 . 0 0 "[ . 1 . ]" 1
88 1 54 LYS HB2 1 55 PHE H 4.600 . 6.000 2.724 2.536 3.878 . 0 0 "[ . 1 . ]" 1
89 1 56 TRP HA 1 57 ARG H 3.700 . 5.500 3.548 3.529 3.575 . 0 0 "[ . 1 . ]" 1
90 1 58 ARG H 1 59 VAL H 3.100 . 4.300 2.633 2.572 2.755 . 0 0 "[ . 1 . ]" 1
91 1 57 ARG H 1 58 ARG H 3.000 . 4.100 2.744 2.678 2.810 . 0 0 "[ . 1 . ]" 1
92 1 56 TRP HA 1 58 ARG H 4.500 . 6.000 4.367 4.228 4.547 . 0 0 "[ . 1 . ]" 1
93 1 58 ARG QB 1 59 VAL H 3.400 . 4.800 2.572 2.377 2.673 . 0 0 "[ . 1 . ]" 1
94 1 59 VAL H 1 59 VAL MG1 3.400 . 4.800 3.753 3.727 3.768 . 0 0 "[ . 1 . ]" 1
95 1 59 VAL MG1 1 60 GLY H 3.500 . 5.000 3.243 3.093 3.361 . 0 0 "[ . 1 . ]" 1
96 1 56 TRP HE1 1 60 GLY H 4.500 . 6.000 4.374 3.939 4.794 . 0 0 "[ . 1 . ]" 1
97 1 56 TRP HD1 1 60 GLY H 4.500 . 6.000 3.503 3.100 3.872 . 0 0 "[ . 1 . ]" 1
98 1 57 ARG HA 1 60 GLY H 4.500 . 5.400 3.616 3.552 3.838 . 0 0 "[ . 1 . ]" 1
99 1 59 VAL MG2 1 60 GLY H 4.500 . 6.000 3.921 3.847 4.002 . 0 0 "[ . 1 . ]" 1
100 1 60 GLY H 1 61 ASP H 3.200 . 4.500 2.799 2.725 2.861 . 0 0 "[ . 1 . ]" 1
101 1 60 GLY HA3 1 61 ASP H 4.800 . 6.000 2.759 2.721 2.797 . 0 0 "[ . 1 . ]" 1
102 1 62 CYS H 1 62 CYS HB2 3.100 . 4.300 2.419 2.201 2.527 . 0 0 "[ . 1 . ]" 1
103 1 62 CYS H 1 62 CYS HB3 4.100 . 6.000 3.599 3.524 3.620 . 0 0 "[ . 1 . ]" 1
104 1 63 PHE H 1 63 PHE HB2 3.300 . 4.600 2.193 2.154 2.227 . 0 0 "[ . 1 . ]" 1
105 1 63 PHE HB3 1 64 GLN H 3.700 . 5.400 3.227 3.137 3.304 . 0 0 "[ . 1 . ]" 1
106 1 63 PHE HB2 1 64 GLN H 3.300 . 4.700 2.800 2.720 2.930 . 0 0 "[ . 1 . ]" 1
107 1 65 ASP H 1 66 TYR H 3.100 . 4.300 2.719 2.668 2.759 . 0 0 "[ . 1 . ]" 1
108 1 65 ASP H 1 65 ASP HB2 2.800 . 3.800 2.384 2.249 2.637 . 0 0 "[ . 1 . ]" 1
109 1 64 GLN QB 1 65 ASP H 3.200 . 4.500 2.618 2.553 2.742 . 0 0 "[ . 1 . ]" 1
110 1 68 ASN H 1 68 ASN HB3 3.500 . 5.000 3.328 2.465 3.620 . 0 0 "[ . 1 . ]" 1
111 1 68 ASN H 1 69 THR H 3.400 . 4.800 2.612 2.555 2.669 . 0 0 "[ . 1 . ]" 1
112 1 69 THR H 1 69 THR HB 3.100 . 4.300 2.627 2.506 2.699 . 0 0 "[ . 1 . ]" 1
113 1 68 ASN HB3 1 69 THR H 3.500 . 5.000 3.383 2.713 3.777 . 0 0 "[ . 1 . ]" 1
114 1 69 THR H 1 70 PHE QD 4.500 . 6.000 4.762 4.354 6.134 0.134 8 0 "[ . 1 . ]" 1
115 1 70 PHE H 1 71 GLY H 2.800 . 3.800 2.214 2.134 2.284 . 0 0 "[ . 1 . ]" 1
116 1 69 THR HB 1 70 PHE H 3.400 . 4.800 2.445 2.345 2.519 . 0 0 "[ . 1 . ]" 1
117 1 70 PHE H 1 70 PHE HB3 4.500 . 6.000 3.679 3.210 3.744 . 0 0 "[ . 1 . ]" 1
118 1 70 PHE HA 1 71 GLY H 4.000 . 6.000 3.579 3.574 3.582 . 0 0 "[ . 1 . ]" 1
119 1 73 GLU H 1 74 LYS H 2.900 . 4.000 2.865 2.773 2.933 . 0 0 "[ . 1 . ]" 1
120 1 73 GLU H 1 74 LYS HA 4.100 . 6.000 5.465 5.402 5.514 . 0 0 "[ . 1 . ]" 1
121 1 73 GLU H 1 73 GLU QB 2.700 . 3.600 2.430 2.387 2.511 . 0 0 "[ . 1 . ]" 1
122 1 72 PRO HD3 1 73 GLU H 4.500 . 6.000 3.836 3.760 3.929 . 0 0 "[ . 1 . ]" 1
123 1 74 LYS H 1 75 VAL H 3.000 . 4.100 2.669 2.619 2.715 . 0 0 "[ . 1 . ]" 1
124 1 73 GLU HA 1 74 LYS H 3.900 . 5.800 3.582 3.578 3.585 . 0 0 "[ . 1 . ]" 1
125 1 74 LYS H 1 74 LYS HB3 3.800 . 5.600 3.614 3.607 3.620 . 0 0 "[ . 1 . ]" 1
126 1 76 PRO HA 1 77 VAL H 3.000 . 4.100 2.490 2.310 2.742 . 0 0 "[ . 1 . ]" 1
127 1 76 PRO HB2 1 77 VAL H 3.300 . 4.700 2.870 2.005 3.533 . 0 0 "[ . 1 . ]" 1
128 1 80 PHE H 1 80 PHE HB3 4.000 . 6.000 3.605 3.588 3.612 . 0 0 "[ . 1 . ]" 1
129 1 80 PHE H 1 81 SER H 3.100 . 4.300 2.690 2.578 2.783 . 0 0 "[ . 1 . ]" 1
130 1 80 PHE HB3 1 81 SER H 3.600 . 5.200 3.514 3.346 3.681 . 0 0 "[ . 1 . ]" 1
131 1 83 TRP H 1 83 TRP HB2 4.000 . 6.000 2.247 2.210 2.280 . 0 0 "[ . 1 . ]" 1
132 1 84 ASN H 1 85 LEU H 2.100 . 2.700 2.780 2.737 2.804 0.104 6 0 "[ . 1 . ]" 1
133 1 83 TRP HB2 1 84 ASN H 5.100 . 6.000 3.632 3.580 3.680 . 0 0 "[ . 1 . ]" 1
134 1 83 TRP HB3 1 84 ASN H 4.900 . 6.000 2.741 2.608 2.803 . 0 0 "[ . 1 . ]" 1
135 1 85 LEU H 1 85 LEU HB3 3.100 . 4.300 3.558 2.617 3.626 . 0 0 "[ . 1 . ]" 1
136 1 85 LEU HA 1 86 ILE H 3.900 . 5.800 3.557 3.549 3.563 . 0 0 "[ . 1 . ]" 1
137 1 86 ILE H 1 86 ILE MG 3.900 . 5.800 3.715 3.692 3.755 . 0 0 "[ . 1 . ]" 1
138 1 88 GLU H 1 89 LEU H 3.400 . 4.800 2.579 2.524 2.616 . 0 0 "[ . 1 . ]" 1
139 1 91 ASP H 1 92 LYS H 3.400 . 4.900 2.750 2.618 2.818 . 0 0 "[ . 1 . ]" 1
140 1 91 ASP H 1 91 ASP QB 2.800 . 3.800 2.306 2.240 2.412 . 0 0 "[ . 1 . ]" 1
141 1 92 LYS H 1 93 LYS H 3.400 . 4.900 2.704 2.626 2.769 . 0 0 "[ . 1 . ]" 1
142 1 91 ASP HA 1 92 LYS H 3.000 . 4.200 3.559 3.378 3.582 . 0 0 "[ . 1 . ]" 1
143 1 91 ASP QB 1 92 LYS H 3.500 . 5.000 2.569 2.352 3.760 . 0 0 "[ . 1 . ]" 1
144 1 94 GLU HA 1 95 VAL H 2.900 . 3.900 2.225 2.181 2.294 . 0 0 "[ . 1 . ]" 1
145 1 95 VAL H 1 95 VAL HB 3.400 . 4.800 3.151 2.843 3.290 . 0 0 "[ . 1 . ]" 1
146 1 94 GLU HG2 1 95 VAL H 4.500 . 6.000 4.748 4.176 5.677 . 0 0 "[ . 1 . ]" 1
147 1 98 GLN HA 1 99 VAL H 3.300 . 4.700 3.501 2.528 3.581 . 0 0 "[ . 1 . ]" 1
148 1 78 THR H 1 79 ALA H 3.600 . 5.200 2.673 2.607 2.720 . 0 0 "[ . 1 . ]" 1
149 1 77 VAL MG1 1 78 THR H 3.300 . 4.700 3.748 2.309 4.187 . 0 0 "[ . 1 . ]" 1
150 1 77 VAL HB 1 78 THR H 4.000 . 6.000 3.846 3.062 4.310 . 0 0 "[ . 1 . ]" 1
151 1 75 VAL HA 1 78 THR H 5.000 . 6.000 5.976 5.828 6.116 0.116 5 0 "[ . 1 . ]" 1
152 1 19 LEU H 1 19 LEU MD1 3.600 . 5.200 3.551 3.172 3.915 . 0 0 "[ . 1 . ]" 1
153 1 19 LEU H 1 20 LYS H 3.600 . 5.200 2.657 2.615 2.708 . 0 0 "[ . 1 . ]" 1
154 1 32 LEU H 1 32 LEU MD1 3.600 . 5.300 3.509 3.404 3.557 . 0 0 "[ . 1 . ]" 1
155 1 89 LEU H 1 89 LEU MD2 3.900 . 5.800 3.834 2.005 4.312 . 0 0 "[ . 1 . ]" 1
156 1 85 LEU H 1 85 LEU MD2 3.700 . 5.400 3.509 3.262 4.192 . 0 0 "[ . 1 . ]" 1
157 1 15 LEU H 1 15 LEU MD1 4.500 . 6.000 4.025 3.982 4.061 . 0 0 "[ . 1 . ]" 1
158 1 90 ILE HA 1 91 ASP H 3.600 . 5.200 3.547 3.459 3.563 . 0 0 "[ . 1 . ]" 1
159 1 86 ILE H 1 86 ILE MD 4.100 . 6.000 3.964 3.823 4.031 . 0 0 "[ . 1 . ]" 1
160 1 38 VAL H 1 38 VAL HB 3.500 . 5.000 2.503 2.413 2.599 . 0 0 "[ . 1 . ]" 1
161 1 38 VAL H 1 39 LYS QB 4.000 . 5.500 4.717 4.531 4.782 . 0 0 "[ . 1 . ]" 1
162 1 38 VAL H 1 38 VAL MG2 3.000 . 4.100 2.215 1.999 2.346 . 0 0 "[ . 1 . ]" 1
163 1 36 ASP HB3 1 38 VAL H 4.500 . 6.000 5.527 5.132 5.658 . 0 0 "[ . 1 . ]" 1
164 1 21 THR H 1 21 THR MG 3.100 . 4.300 2.630 2.083 3.768 . 0 0 "[ . 1 . ]" 1
165 1 45 PHE H 1 46 PRO HD3 2.500 . 4.000 2.350 1.736 4.125 0.125 18 0 "[ . 1 . ]" 1
166 1 45 PHE H 1 46 PRO QG 5.200 . 6.000 3.816 3.218 5.698 . 0 0 "[ . 1 . ]" 1
167 1 66 TYR H 1 66 TYR HB2 3.000 . 4.200 2.362 2.297 2.409 . 0 0 "[ . 1 . ]" 1
168 1 65 ASP HB2 1 66 TYR H 3.900 . 5.800 2.798 2.506 3.898 . 0 0 "[ . 1 . ]" 1
169 1 34 PHE H 1 35 PHE H 2.300 . 3.000 2.826 2.782 2.889 . 0 0 "[ . 1 . ]" 1
170 1 36 ASP H 1 37 PHE H 3.100 . 4.300 2.693 2.601 2.761 . 0 0 "[ . 1 . ]" 1
171 1 37 PHE H 1 38 VAL HB 4.500 . 6.000 4.879 4.754 4.977 . 0 0 "[ . 1 . ]" 1
172 1 34 PHE QB 1 37 PHE H 4.500 . 6.000 5.014 4.890 5.086 . 0 0 "[ . 1 . ]" 1
173 1 39 LYS H 1 40 ASP H 3.500 . 5.000 2.583 2.398 2.638 . 0 0 "[ . 1 . ]" 1
174 1 40 ASP H 1 42 CYS H 4.100 . 6.000 4.899 4.603 5.088 . 0 0 "[ . 1 . ]" 1
175 1 55 PHE H 1 57 ARG H 4.000 . 6.000 4.471 4.245 4.681 . 0 0 "[ . 1 . ]" 1
176 1 53 ILE H 1 55 PHE H 3.900 . 5.800 4.361 4.104 4.584 . 0 0 "[ . 1 . ]" 1
177 1 67 TYR H 1 68 ASN H 3.600 . 5.200 2.855 2.812 2.888 . 0 0 "[ . 1 . ]" 1
178 1 73 GLU H 1 75 VAL H 3.900 . 5.800 4.080 3.976 4.217 . 0 0 "[ . 1 . ]" 1
179 1 56 TRP HB2 1 58 ARG H 4.500 . 6.000 5.962 5.864 6.040 0.040 18 0 "[ . 1 . ]" 1
180 1 58 ARG H 1 59 VAL MG1 4.500 . 6.000 5.852 5.806 5.950 . 0 0 "[ . 1 . ]" 1
181 1 79 ALA MB 1 80 PHE H 3.500 . 5.000 2.484 2.378 2.622 . 0 0 "[ . 1 . ]" 1
182 1 79 ALA MB 1 81 SER H 4.000 . 5.500 4.530 4.378 4.656 . 0 0 "[ . 1 . ]" 1
183 1 86 ILE MD 1 87 LYS H 3.600 . 5.300 4.731 4.701 4.772 . 0 0 "[ . 1 . ]" 1
184 1 88 GLU H 1 89 LEU HB2 3.500 . 5.000 4.654 4.389 5.045 0.045 4 0 "[ . 1 . ]" 1
185 1 5 LEU H 1 6 SER H 3.100 . 4.300 4.218 4.054 4.311 0.011 16 0 "[ . 1 . ]" 1
186 1 5 LEU H 1 6 SER HB3 4.500 . 6.000 5.854 5.713 6.034 0.034 13 0 "[ . 1 . ]" 1
187 1 4 GLU HG2 1 5 LEU H 4.700 . 6.000 4.384 4.098 5.022 . 0 0 "[ . 1 . ]" 1
188 1 4 GLU QB 1 5 LEU H 4.200 . 6.000 3.056 2.857 3.360 . 0 0 "[ . 1 . ]" 1
189 1 9 GLU H 1 10 ARG H 3.100 . 4.300 2.662 2.579 2.718 . 0 0 "[ . 1 . ]" 1
190 1 8 HIS H 1 10 ARG H 5.400 . 6.000 4.036 3.939 4.149 . 0 0 "[ . 1 . ]" 1
191 1 5 LEU MD1 1 6 SER H 5.300 . 6.000 5.446 5.383 5.570 . 0 0 "[ . 1 . ]" 1
192 1 7 GLN QB 1 8 HIS H 3.900 . 5.800 2.511 2.443 2.562 . 0 0 "[ . 1 . ]" 1
193 1 8 HIS H 1 9 GLU QG 4.300 . 6.000 4.379 4.138 4.653 . 0 0 "[ . 1 . ]" 1
194 1 7 GLN HA 1 8 HIS H 4.100 . 6.000 3.564 3.558 3.573 . 0 0 "[ . 1 . ]" 1
195 1 12 VAL MG2 1 13 GLU H 3.600 . 5.200 2.976 2.059 3.767 . 0 0 "[ . 1 . ]" 1
196 1 10 ARG HA 1 12 VAL H 3.500 . 5.000 4.424 4.177 4.704 . 0 0 "[ . 1 . ]" 1
197 1 9 GLU H 1 10 ARG QG 4.100 . 6.000 4.425 4.310 4.518 . 0 0 "[ . 1 . ]" 1
198 1 11 TYR H 1 12 VAL H 3.300 . 4.700 2.755 2.682 2.818 . 0 0 "[ . 1 . ]" 1
199 1 16 LYS H 1 17 GLN H 3.300 . 4.700 2.725 2.697 2.810 . 0 0 "[ . 1 . ]" 1
200 1 17 GLN H 1 18 ALA H 2.600 . 3.400 2.804 2.760 2.902 . 0 0 "[ . 1 . ]" 1
201 1 15 LEU HA 1 16 LYS H 4.300 . 6.000 3.551 3.541 3.559 . 0 0 "[ . 1 . ]" 1
202 1 15 LEU MD1 1 16 LYS H 4.500 . 6.500 4.343 4.269 4.403 . 0 0 "[ . 1 . ]" 1
203 1 15 LEU MD2 1 16 LYS H 4.500 . 6.500 4.335 4.266 4.404 . 0 0 "[ . 1 . ]" 1
204 1 17 GLN H 1 18 ALA MB 5.000 . 6.000 4.427 4.337 4.494 . 0 0 "[ . 1 . ]" 1
205 1 23 GLY H 1 24 VAL MG2 4.500 . 6.000 3.701 3.418 4.083 . 0 0 "[ . 1 . ]" 1
206 1 22 ARG HB2 1 23 GLY H 2.700 . 4.200 3.271 3.090 4.330 0.130 2 0 "[ . 1 . ]" 1
207 1 24 VAL H 1 25 LYS H 3.600 . 5.200 4.418 4.380 4.444 . 0 0 "[ . 1 . ]" 1
208 1 25 LYS H 1 26 VAL H 4.400 . 6.000 3.857 3.679 4.084 . 0 0 "[ . 1 . ]" 1
209 1 30 ASP H 1 32 LEU H 3.500 . 5.000 4.274 4.156 4.322 . 0 0 "[ . 1 . ]" 1
210 1 33 LYS H 1 34 PHE H 3.300 . 4.600 2.623 2.564 2.684 . 0 0 "[ . 1 . ]" 1
211 1 37 PHE H 1 38 VAL H 2.400 . 3.100 2.740 2.673 2.784 . 0 0 "[ . 1 . ]" 1
212 1 36 ASP HA 1 37 PHE H 2.600 . 4.100 3.553 3.531 3.567 . 0 0 "[ . 1 . ]" 1
213 1 29 ALA HA 1 31 LEU H 3.600 . 5.300 4.282 4.184 4.452 . 0 0 "[ . 1 . ]" 1
214 1 33 LYS QB 1 35 PHE H 4.500 . 6.000 4.914 4.866 5.014 . 0 0 "[ . 1 . ]" 1
215 1 38 VAL MG2 1 39 LYS H 3.800 . 5.600 3.848 3.757 3.970 . 0 0 "[ . 1 . ]" 1
216 1 39 LYS HA 1 40 ASP H 3.300 . 4.700 3.510 3.437 3.539 . 0 0 "[ . 1 . ]" 1
217 1 51 ILE MG 1 52 ASP H 3.800 . 5.600 3.132 2.512 3.432 . 0 0 "[ . 1 . ]" 1
218 1 53 ILE MG 1 54 LYS H 3.300 . 4.600 3.695 3.317 3.912 . 0 0 "[ . 1 . ]" 1
219 1 59 VAL H 1 59 VAL HB 3.100 . 4.300 2.419 2.341 2.498 . 0 0 "[ . 1 . ]" 1
220 1 63 PHE H 1 64 GLN H 2.800 . 3.800 2.725 2.652 2.794 . 0 0 "[ . 1 . ]" 1
221 1 65 ASP HA 1 66 TYR H 2.700 . 3.600 3.567 3.557 3.573 . 0 0 "[ . 1 . ]" 1
222 1 64 GLN H 1 66 TYR H 5.000 . 6.000 4.327 4.240 4.412 . 0 0 "[ . 1 . ]" 1
223 1 69 THR HA 1 70 PHE H 5.000 . 6.000 3.571 3.561 3.581 . 0 0 "[ . 1 . ]" 1
224 1 70 PHE HB3 1 71 GLY H 3.300 . 4.700 3.261 2.485 3.400 . 0 0 "[ . 1 . ]" 1
225 1 69 THR MG 1 71 GLY H 4.500 . 6.000 5.292 4.976 5.480 . 0 0 "[ . 1 . ]" 1
226 1 77 VAL H 1 79 ALA MB 5.800 . 6.000 5.407 5.170 5.630 . 0 0 "[ . 1 . ]" 1
227 1 84 ASN HB3 1 85 LEU H 4.200 . 6.000 3.309 2.475 3.656 . 0 0 "[ . 1 . ]" 1
228 1 99 VAL HA 1 100 MET H 3.100 . 4.300 2.225 2.185 2.410 . 0 0 "[ . 1 . ]" 1
229 1 96 ASN H 1 96 ASN HB2 2.500 . 3.300 3.049 2.173 3.673 0.373 10 0 "[ . 1 . ]" 1
230 1 2 GLY QA 1 3 GLN H 2.500 . 4.000 2.919 2.875 2.935 . 0 0 "[ . 1 . ]" 1
231 1 4 GLU QB 1 6 SER H 3.100 . 4.300 4.302 3.951 4.452 0.152 16 0 "[ . 1 . ]" 1
232 1 6 SER H 1 9 GLU QG 3.500 . 5.000 2.897 2.048 3.266 . 0 0 "[ . 1 . ]" 1
233 1 8 HIS HA 1 9 GLU H 3.800 . 5.600 3.570 3.561 3.579 . 0 0 "[ . 1 . ]" 1
234 1 6 SER HA 1 10 ARG H 4.400 . 6.000 4.876 4.757 4.989 . 0 0 "[ . 1 . ]" 1
235 1 12 VAL H 1 13 GLU HA 4.500 . 6.000 5.310 5.208 5.388 . 0 0 "[ . 1 . ]" 1
236 1 12 VAL HA 1 14 GLN H 4.900 . 6.000 4.404 4.200 4.595 . 0 0 "[ . 1 . ]" 1
237 1 15 LEU HA 1 15 LEU HG 4.100 . 6.000 3.117 3.055 3.187 . 0 0 "[ . 1 . ]" 1
238 1 15 LEU HB3 1 16 LYS H 5.100 . 6.000 2.575 2.520 2.636 . 0 0 "[ . 1 . ]" 1
239 1 12 VAL HA 1 16 LYS H 5.000 . 6.000 4.170 3.968 4.343 . 0 0 "[ . 1 . ]" 1
240 1 16 LYS HB2 1 17 GLN H 4.500 . 6.000 3.854 3.793 3.909 . 0 0 "[ . 1 . ]" 1
241 1 16 LYS HB2 1 18 ALA H 4.000 . 6.000 5.923 5.794 6.032 0.032 18 0 "[ . 1 . ]" 1
242 1 18 ALA H 1 19 LEU MD1 4.800 . 6.000 5.322 4.897 6.086 0.086 18 0 "[ . 1 . ]" 1
243 1 14 GLN HA 1 18 ALA H 3.500 . 5.000 4.498 4.358 4.614 . 0 0 "[ . 1 . ]" 1
244 1 1 MET HB2 1 2 GLY H 2.500 . 4.000 2.834 1.814 4.094 0.094 14 0 "[ . 1 . ]" 1
245 1 1 MET HB3 1 2 GLY H 2.500 . 4.000 2.444 1.687 3.990 0.113 13 0 "[ . 1 . ]" 1
246 1 6 SER H 1 8 HIS H 4.200 . 6.000 5.047 4.866 5.193 . 0 0 "[ . 1 . ]" 1
247 1 16 LYS H 1 18 ALA H 5.000 . 6.000 4.329 4.231 4.442 . 0 0 "[ . 1 . ]" 1
248 1 12 VAL H 1 15 LEU H 5.000 . 6.000 4.765 4.594 4.952 . 0 0 "[ . 1 . ]" 1
249 1 19 LEU HA 1 22 ARG H 3.600 . 5.200 3.291 3.184 3.522 . 0 0 "[ . 1 . ]" 1
250 1 22 ARG HD2 1 23 GLY H 4.900 . 6.000 5.665 5.401 6.320 0.320 10 0 "[ . 1 . ]" 1
251 1 20 LYS HB2 1 24 VAL H 4.500 . 6.000 4.851 4.584 5.140 . 0 0 "[ . 1 . ]" 1
252 1 23 GLY H 1 24 VAL HB 3.500 . 5.100 4.059 3.938 4.333 . 0 0 "[ . 1 . ]" 1
253 1 21 THR MG 1 23 GLY H 4.500 . 6.000 4.944 4.591 5.147 . 0 0 "[ . 1 . ]" 1
254 1 30 ASP H 1 31 LEU MD1 4.100 . 6.000 5.935 5.452 6.032 0.032 9 0 "[ . 1 . ]" 1
255 1 30 ASP H 1 33 LYS QD 3.000 . 4.500 4.538 4.430 4.611 0.111 9 0 "[ . 1 . ]" 1
256 1 30 ASP H 1 33 LYS QB 3.500 . 5.000 4.960 4.837 5.072 0.072 5 0 "[ . 1 . ]" 1
257 1 27 LYS QB 1 29 ALA H 2.700 . 3.600 2.740 2.606 2.878 . 0 0 "[ . 1 . ]" 1
258 1 27 LYS H 1 30 ASP QB 3.200 . 4.500 3.207 2.828 3.475 . 0 0 "[ . 1 . ]" 1
259 1 31 LEU H 1 33 LYS H 4.700 . 6.000 4.147 4.114 4.202 . 0 0 "[ . 1 . ]" 1
260 1 27 LYS H 1 30 ASP H 3.100 . 4.300 4.241 4.026 4.345 0.045 15 0 "[ . 1 . ]" 1
261 1 29 ALA H 1 31 LEU H 5.600 . 6.000 4.366 4.237 4.537 . 0 0 "[ . 1 . ]" 1
262 1 26 VAL H 1 27 LYS H 5.000 . 6.000 4.467 4.396 4.490 . 0 0 "[ . 1 . ]" 1
263 1 16 LYS HG2 1 26 VAL H 4.500 . 6.000 5.244 4.832 5.574 . 0 0 "[ . 1 . ]" 1
264 1 34 PHE H 1 36 ASP H 5.500 . 6.000 4.179 4.128 4.226 . 0 0 "[ . 1 . ]" 1
265 1 37 PHE H 1 37 PHE QD 3.600 . 5.200 4.197 4.180 4.204 . 0 0 "[ . 1 . ]" 1
266 1 35 PHE HA 1 36 ASP H 3.600 . 5.200 3.565 3.558 3.572 . 0 0 "[ . 1 . ]" 1
267 1 32 LEU HB2 1 36 ASP H 4.500 . 6.000 5.959 5.794 6.101 0.101 2 0 "[ . 1 . ]" 1
268 1 33 LYS HB2 1 36 ASP H 4.500 . 6.000 5.600 5.513 5.745 . 0 0 "[ . 1 . ]" 1
269 1 32 LEU MD2 1 36 ASP H 5.000 . 6.500 5.323 5.019 5.513 . 0 0 "[ . 1 . ]" 1
270 1 34 PHE HA 1 35 PHE H 5.300 . 6.000 3.577 3.572 3.583 . 0 0 "[ . 1 . ]" 1
271 1 35 PHE H 1 35 PHE HB3 3.400 . 4.800 3.594 3.553 3.619 . 0 0 "[ . 1 . ]" 1
272 1 32 LEU HA 1 34 PHE H 3.900 . 5.800 4.308 4.161 4.403 . 0 0 "[ . 1 . ]" 1
273 1 35 PHE HA 1 37 PHE H 3.500 . 5.000 4.443 4.287 4.567 . 0 0 "[ . 1 . ]" 1
274 1 35 PHE HA 1 38 VAL H 3.200 . 4.500 3.519 3.432 3.614 . 0 0 "[ . 1 . ]" 1
275 1 39 LYS H 1 40 ASP HB2 5.000 . 6.000 4.698 4.589 4.778 . 0 0 "[ . 1 . ]" 1
276 1 37 PHE H 1 40 ASP HB2 3.500 . 5.000 4.831 4.566 5.050 0.050 1 0 "[ . 1 . ]" 1
277 1 37 PHE H 1 38 VAL HA 4.500 . 6.000 5.375 5.325 5.410 . 0 0 "[ . 1 . ]" 1
278 1 37 PHE H 1 37 PHE QB 2.900 . 3.900 2.274 2.261 2.279 . 0 0 "[ . 1 . ]" 1
279 1 37 PHE QB 1 38 VAL H 3.900 . 5.800 2.452 2.397 2.542 . 0 0 "[ . 1 . ]" 1
280 1 35 PHE H 1 37 PHE QB 4.600 . 6.000 4.930 4.760 5.074 . 0 0 "[ . 1 . ]" 1
281 1 35 PHE H 1 38 VAL MG2 5.600 . 6.000 4.551 4.262 4.810 . 0 0 "[ . 1 . ]" 1
282 1 36 ASP H 1 37 PHE QB 4.400 . 6.000 4.465 4.392 4.549 . 0 0 "[ . 1 . ]" 1
283 1 40 ASP H 1 41 THR MG 4.500 . 6.000 5.794 5.634 5.875 . 0 0 "[ . 1 . ]" 1
284 1 41 THR H 1 41 THR MG 4.500 . 6.000 3.744 3.707 3.774 . 0 0 "[ . 1 . ]" 1
285 1 42 CYS H 1 75 VAL MG1 4.500 . 6.500 6.465 5.949 6.627 0.127 6 0 "[ . 1 . ]" 1
286 1 38 VAL MG1 1 42 CYS H 4.500 . 6.500 5.101 4.858 5.818 . 0 0 "[ . 1 . ]" 1
287 1 44 TRP H 1 45 PHE HB2 5.000 . 6.000 5.349 4.900 6.347 0.347 7 0 "[ . 1 . ]" 1
288 1 46 PRO HB2 1 47 GLN H 5.000 . 6.000 3.134 1.955 3.906 . 0 0 "[ . 1 . ]" 1
289 1 46 PRO HB3 1 47 GLN H 5.000 . 6.000 3.681 3.161 4.289 . 0 0 "[ . 1 . ]" 1
290 1 50 THR HB 1 51 ILE H 3.800 . 5.700 4.102 3.846 4.345 . 0 0 "[ . 1 . ]" 1
291 1 36 ASP HA 1 40 ASP H 4.700 . 6.000 4.060 3.859 4.392 . 0 0 "[ . 1 . ]" 1
292 1 44 TRP H 1 44 TRP HZ3 4.500 . 6.000 5.766 4.120 6.144 0.144 4 0 "[ . 1 . ]" 1
293 1 44 TRP H 1 44 TRP HD1 4.100 . 6.000 4.579 3.606 5.632 . 0 0 "[ . 1 . ]" 1
294 1 45 PHE H 1 45 PHE QD 4.000 . 5.500 3.991 2.442 4.537 . 0 0 "[ . 1 . ]" 1
295 1 56 TRP H 1 57 ARG H 3.800 . 5.600 2.763 2.670 2.823 . 0 0 "[ . 1 . ]" 1
296 1 55 PHE H 1 55 PHE QD 3.600 . 5.200 3.957 2.802 4.223 . 0 0 "[ . 1 . ]" 1
297 1 56 TRP HD1 1 57 ARG H 4.400 . 6.000 4.831 4.639 4.967 . 0 0 "[ . 1 . ]" 1
298 1 55 PHE HB3 1 58 ARG H 4.300 . 6.000 5.255 4.804 5.655 . 0 0 "[ . 1 . ]" 1
299 1 54 LYS HA 1 57 ARG H 3.900 . 5.800 4.127 3.766 4.481 . 0 0 "[ . 1 . ]" 1
300 1 58 ARG H 1 58 ARG HD3 4.600 . 6.000 3.881 3.593 3.973 . 0 0 "[ . 1 . ]" 1
301 1 53 ILE HA 1 56 TRP H 4.200 . 6.000 3.156 3.083 3.247 . 0 0 "[ . 1 . ]" 1
302 1 52 ASP HB3 1 55 PHE H 4.400 . 6.000 2.797 2.555 3.228 . 0 0 "[ . 1 . ]" 1
303 1 6 SER H 1 9 GLU H 2.500 . 3.500 3.453 3.274 3.548 0.048 3 0 "[ . 1 . ]" 1
304 1 10 ARG H 1 11 TYR H 3.500 . 5.000 2.654 2.576 2.755 . 0 0 "[ . 1 . ]" 1
305 1 7 GLN H 1 10 ARG H 5.000 . 6.000 4.690 4.610 4.758 . 0 0 "[ . 1 . ]" 1
306 1 13 GLU H 1 14 GLN H 3.000 . 4.100 2.784 2.623 2.894 . 0 0 "[ . 1 . ]" 1
307 1 17 GLN H 1 19 LEU H 4.000 . 6.000 4.104 4.010 4.252 . 0 0 "[ . 1 . ]" 1
308 1 33 LYS H 1 35 PHE H 5.800 . 6.000 4.436 4.390 4.516 . 0 0 "[ . 1 . ]" 1
309 1 35 PHE H 1 37 PHE H 4.200 . 6.000 4.161 4.026 4.287 . 0 0 "[ . 1 . ]" 1
310 1 36 ASP H 1 38 VAL H 6.000 . 6.000 4.270 4.186 4.367 . 0 0 "[ . 1 . ]" 1
311 1 51 ILE H 1 52 ASP H 5.700 . 6.000 4.428 4.313 4.605 . 0 0 "[ . 1 . ]" 1
312 1 57 ARG H 1 59 VAL H 5.300 . 6.000 4.170 4.083 4.299 . 0 0 "[ . 1 . ]" 1
313 1 59 VAL H 1 60 GLY H 2.800 . 3.800 2.712 2.666 2.756 . 0 0 "[ . 1 . ]" 1
314 1 61 ASP H 1 63 PHE H 3.500 . 5.000 4.375 4.193 4.527 . 0 0 "[ . 1 . ]" 1
315 1 69 THR H 1 70 PHE H 2.600 . 3.500 2.717 2.634 2.806 . 0 0 "[ . 1 . ]" 1
316 1 68 ASN H 1 71 GLY H 3.600 . 5.200 4.742 4.653 5.080 . 0 0 "[ . 1 . ]" 1
317 1 77 VAL H 1 78 THR H 2.900 . 4.000 2.725 2.561 2.833 . 0 0 "[ . 1 . ]" 1
318 1 77 VAL H 1 79 ALA H 4.600 . 6.000 4.612 4.450 4.855 . 0 0 "[ . 1 . ]" 1
319 1 81 SER H 1 83 TRP H 4.700 . 6.000 4.134 4.041 4.227 . 0 0 "[ . 1 . ]" 1
320 1 90 ILE H 1 91 ASP H 2.900 . 3.900 2.540 2.398 2.606 . 0 0 "[ . 1 . ]" 1
321 1 89 LEU H 1 90 ILE H 3.400 . 4.900 2.723 2.547 2.784 . 0 0 "[ . 1 . ]" 1
322 1 89 LEU H 1 91 ASP H 4.800 . 6.000 4.010 3.782 4.114 . 0 0 "[ . 1 . ]" 1
323 1 95 VAL H 1 96 ASN H 4.600 . 6.000 4.444 4.120 4.592 . 0 0 "[ . 1 . ]" 1
324 1 93 LYS H 1 94 GLU H 4.700 . 6.000 4.567 4.388 4.661 . 0 0 "[ . 1 . ]" 1
325 1 4 GLU HA 1 5 LEU H 2.500 . 3.300 2.234 2.190 2.285 . 0 0 "[ . 1 . ]" 1
326 1 5 LEU HA 1 6 SER H 2.500 . 3.300 2.248 2.212 2.346 . 0 0 "[ . 1 . ]" 1
327 1 5 LEU HG 1 6 SER H 3.700 . 5.400 4.994 4.908 5.038 . 0 0 "[ . 1 . ]" 1
328 1 6 SER H 1 7 GLN HA 4.500 . 6.000 5.709 5.654 5.769 . 0 0 "[ . 1 . ]" 1
329 1 6 SER HB2 1 7 GLN H 3.600 . 5.200 2.390 2.235 2.533 . 0 0 "[ . 1 . ]" 1
330 1 6 SER HA 1 7 GLN H 2.900 . 3.900 2.517 2.471 2.568 . 0 0 "[ . 1 . ]" 1
331 1 7 GLN H 1 9 GLU H 5.000 . 6.000 4.294 4.204 4.418 . 0 0 "[ . 1 . ]" 1
332 1 9 GLU HA 1 10 ARG H 2.500 . 3.500 3.538 3.514 3.553 0.053 7 0 "[ . 1 . ]" 1
333 1 9 GLU HA 1 13 GLU H 4.900 . 6.000 4.397 3.990 4.681 . 0 0 "[ . 1 . ]" 1
334 1 11 TYR QB 1 12 VAL H 2.800 . 3.800 2.518 2.340 2.688 . 0 0 "[ . 1 . ]" 1
335 1 12 VAL HB 1 13 GLU H 3.000 . 4.100 3.060 2.473 3.889 . 0 0 "[ . 1 . ]" 1
336 1 13 GLU H 1 14 GLN HB2 4.500 . 6.000 5.206 4.967 5.352 . 0 0 "[ . 1 . ]" 1
337 1 13 GLU H 1 16 LYS HB3 4.200 . 5.700 5.661 5.536 5.760 0.060 18 0 "[ . 1 . ]" 1
338 1 12 VAL HA 1 15 LEU H 4.500 . 6.000 3.259 3.167 3.347 . 0 0 "[ . 1 . ]" 1
339 1 15 LEU HB2 1 16 LYS H 3.500 . 5.000 3.895 3.836 3.940 . 0 0 "[ . 1 . ]" 1
340 1 15 LEU H 1 16 LYS HB2 3.500 . 5.100 5.046 4.968 5.103 0.003 8 0 "[ . 1 . ]" 1
341 1 14 GLN HA 1 15 LEU H 3.000 . 4.100 3.544 3.533 3.553 . 0 0 "[ . 1 . ]" 1
342 1 14 GLN HB2 1 16 LYS H 4.500 . 6.000 5.851 5.782 5.908 . 0 0 "[ . 1 . ]" 1
343 1 17 GLN HA 1 21 THR H 3.500 . 5.000 4.504 4.152 4.749 . 0 0 "[ . 1 . ]" 1
344 1 21 THR H 1 24 VAL HB 4.800 . 6.000 5.217 4.997 5.425 . 0 0 "[ . 1 . ]" 1
345 1 22 ARG H 1 22 ARG QG 2.600 . 3.400 2.379 2.145 2.847 . 0 0 "[ . 1 . ]" 1
346 1 21 THR HB 1 22 ARG H 3.000 . 4.100 3.541 2.603 4.183 0.083 13 0 "[ . 1 . ]" 1
347 1 22 ARG H 1 22 ARG HD3 4.900 . 6.000 4.741 3.874 5.019 . 0 0 "[ . 1 . ]" 1
348 1 20 LYS HA 1 22 ARG H 3.800 . 5.600 4.138 3.607 4.354 . 0 0 "[ . 1 . ]" 1
349 1 24 VAL H 1 25 LYS HA 5.100 . 6.000 4.913 4.870 4.945 . 0 0 "[ . 1 . ]" 1
350 1 25 LYS H 1 26 VAL MG2 3.700 . 5.400 4.153 3.255 4.407 . 0 0 "[ . 1 . ]" 1
351 1 26 VAL HA 1 27 LYS H 2.600 . 3.400 2.398 2.228 2.443 . 0 0 "[ . 1 . ]" 1
352 1 28 TYR HA 1 29 ALA H 3.100 . 4.300 3.543 3.527 3.560 . 0 0 "[ . 1 . ]" 1
353 1 28 TYR HA 1 31 LEU H 3.200 . 4.500 3.352 3.283 3.524 . 0 0 "[ . 1 . ]" 1
354 1 34 PHE QB 1 35 PHE H 2.300 . 3.000 2.433 2.343 2.492 . 0 0 "[ . 1 . ]" 1
355 1 35 PHE H 1 36 ASP HB3 4.600 . 6.400 6.066 4.974 6.286 . 0 0 "[ . 1 . ]" 1
356 1 31 LEU HA 1 35 PHE H 4.000 . 5.500 4.377 4.204 4.575 . 0 0 "[ . 1 . ]" 1
357 1 40 ASP HB2 1 41 THR H 3.600 . 5.200 3.146 3.051 3.216 . 0 0 "[ . 1 . ]" 1
358 1 46 PRO HA 1 47 GLN H 2.600 . 4.100 2.820 2.213 3.552 . 0 0 "[ . 1 . ]" 1
359 1 51 ILE H 1 51 ILE QG 3.500 . 5.100 3.992 3.108 4.277 . 0 0 "[ . 1 . ]" 1
360 1 54 LYS H 1 54 LYS HG3 4.100 . 6.000 2.833 2.116 4.435 . 0 0 "[ . 1 . ]" 1
361 1 54 LYS HG3 1 55 PHE H 4.500 . 6.000 4.583 4.254 4.924 . 0 0 "[ . 1 . ]" 1
362 1 53 ILE QG 1 54 LYS H 4.500 . 6.000 4.077 3.924 4.352 . 0 0 "[ . 1 . ]" 1
363 1 54 LYS H 1 54 LYS HG2 3.700 . 5.400 3.060 2.062 4.473 . 0 0 "[ . 1 . ]" 1
364 1 53 ILE H 1 54 LYS HG2 5.000 . 6.000 5.268 3.900 6.919 0.919 3 1 "[ + . 1 . ]" 1
365 1 53 ILE MG 1 55 PHE H 3.500 . 5.000 4.990 4.862 5.088 0.088 4 0 "[ . 1 . ]" 1
366 1 55 PHE HA 1 56 TRP H 4.200 . 6.000 3.440 3.378 3.540 . 0 0 "[ . 1 . ]" 1
367 1 55 PHE H 1 56 TRP HA 4.200 . 6.000 4.996 4.882 5.200 . 0 0 "[ . 1 . ]" 1
368 1 59 VAL H 1 59 VAL MG2 3.700 . 5.400 2.380 2.224 2.548 . 0 0 "[ . 1 . ]" 1
369 1 59 VAL MG2 1 63 PHE H 4.800 . 6.000 5.165 5.043 5.404 . 0 0 "[ . 1 . ]" 1
370 1 92 LYS HA 1 93 LYS H 2.800 . 3.800 3.565 3.552 3.577 . 0 0 "[ . 1 . ]" 1
371 1 61 ASP H 1 62 CYS HB2 5.900 . 6.000 4.770 4.557 4.943 . 0 0 "[ . 1 . ]" 1
372 1 60 GLY H 1 62 CYS HB2 3.500 . 5.000 5.043 4.916 5.123 0.123 17 0 "[ . 1 . ]" 1
373 1 62 CYS HB3 1 63 PHE H 3.800 . 5.600 3.358 3.013 3.548 . 0 0 "[ . 1 . ]" 1
374 1 62 CYS HA 1 65 ASP H 3.600 . 5.200 3.533 3.438 3.600 . 0 0 "[ . 1 . ]" 1
375 1 65 ASP HA 1 67 TYR H 3.300 . 4.800 4.306 4.192 4.416 . 0 0 "[ . 1 . ]" 1
376 1 67 TYR H 1 67 TYR HB3 2.700 . 3.600 2.280 2.190 2.440 . 0 0 "[ . 1 . ]" 1
377 1 67 TYR H 1 69 THR HB 4.500 . 6.000 5.009 4.840 5.077 . 0 0 "[ . 1 . ]" 1
378 1 67 TYR H 1 75 VAL HB 5.000 . 6.000 5.400 5.130 5.502 . 0 0 "[ . 1 . ]" 1
379 1 67 TYR HB3 1 68 ASN H 2.400 . 3.100 2.484 2.366 2.588 . 0 0 "[ . 1 . ]" 1
380 1 67 TYR HB2 1 68 ASN H 3.300 . 4.700 3.872 3.810 3.910 . 0 0 "[ . 1 . ]" 1
381 1 66 TYR HA 1 69 THR H 3.500 . 5.000 3.388 3.306 3.520 . 0 0 "[ . 1 . ]" 1
382 1 66 TYR HB2 1 69 THR H 4.500 . 6.000 5.526 5.394 5.633 . 0 0 "[ . 1 . ]" 1
383 1 70 PHE H 1 71 GLY HA2 3.900 . 5.800 4.329 4.173 4.444 . 0 0 "[ . 1 . ]" 1
384 1 67 TYR HA 1 68 ASN H 3.400 . 4.800 3.584 3.575 3.588 . 0 0 "[ . 1 . ]" 1
385 1 67 TYR HA 1 70 PHE H 4.500 . 6.000 3.768 3.567 3.920 . 0 0 "[ . 1 . ]" 1
386 1 70 PHE H 1 74 LYS HB3 4.500 . 6.000 5.915 5.608 6.035 0.035 4 0 "[ . 1 . ]" 1
387 1 71 GLY H 1 74 LYS HB3 4.000 . 5.500 5.389 5.140 5.495 . 0 0 "[ . 1 . ]" 1
388 1 67 TYR HA 1 71 GLY H 3.100 . 4.300 2.551 2.310 2.819 . 0 0 "[ . 1 . ]" 1
389 1 71 GLY H 1 72 PRO HA 5.000 . 6.000 5.084 5.045 5.140 . 0 0 "[ . 1 . ]" 1
390 1 72 PRO HA 1 73 GLU H 2.800 . 3.800 3.469 3.436 3.498 . 0 0 "[ . 1 . ]" 1
391 1 72 PRO QD 1 73 GLU H 2.500 . 3.300 2.555 2.433 2.681 . 0 0 "[ . 1 . ]" 1
392 1 73 GLU H 1 74 LYS HG2 3.700 . 5.400 4.649 4.526 4.775 . 0 0 "[ . 1 . ]" 1
393 1 73 GLU QG 1 74 LYS H 4.100 . 6.000 4.015 3.918 4.066 . 0 0 "[ . 1 . ]" 1
394 1 74 LYS H 1 76 PRO HD3 3.500 . 5.000 4.565 4.393 4.847 . 0 0 "[ . 1 . ]" 1
395 1 74 LYS H 1 74 LYS HG2 3.500 . 5.000 2.150 2.020 2.248 . 0 0 "[ . 1 . ]" 1
396 1 73 GLU QB 1 74 LYS H 2.500 . 3.300 2.319 2.268 2.389 . 0 0 "[ . 1 . ]" 1
397 1 75 VAL H 1 76 PRO HD3 2.700 . 4.200 3.173 3.009 3.383 . 0 0 "[ . 1 . ]" 1
398 1 73 GLU HA 1 75 VAL H 3.500 . 5.000 4.586 4.442 4.751 . 0 0 "[ . 1 . ]" 1
399 1 76 PRO HB2 1 78 THR H 3.600 . 5.200 2.300 2.164 2.478 . 0 0 "[ . 1 . ]" 1
400 1 78 THR H 1 78 THR HB 2.700 . 3.600 3.314 2.217 3.621 0.021 13 0 "[ . 1 . ]" 1
401 1 76 PRO HA 1 78 THR H 4.400 . 6.000 3.935 3.700 4.214 . 0 0 "[ . 1 . ]" 1
402 1 78 THR HA 1 79 ALA H 2.800 . 3.800 3.533 3.517 3.558 . 0 0 "[ . 1 . ]" 1
403 1 77 VAL HB 1 79 ALA H 5.600 . 6.000 5.481 5.241 6.026 0.026 6 0 "[ . 1 . ]" 1
404 1 76 PRO HB2 1 79 ALA H 3.700 . 5.400 4.008 3.576 4.458 . 0 0 "[ . 1 . ]" 1
405 1 77 VAL MG1 1 79 ALA H 3.600 . 5.300 5.011 4.415 5.356 0.056 1 0 "[ . 1 . ]" 1
406 1 78 THR MG 1 79 ALA H 4.600 . 6.000 3.346 1.934 3.915 0.066 9 0 "[ . 1 . ]" 1
407 1 78 THR MG 1 81 SER H 3.700 . 5.500 5.095 4.734 5.310 . 0 0 "[ . 1 . ]" 1
408 1 81 SER H 1 82 TYR H 3.100 . 4.300 2.774 2.738 2.815 . 0 0 "[ . 1 . ]" 1
409 1 82 TYR HB3 1 83 TRP H 4.300 . 6.000 3.343 2.636 3.603 . 0 0 "[ . 1 . ]" 1
410 1 85 LEU H 1 85 LEU HB2 3.100 . 4.300 2.446 2.395 2.511 . 0 0 "[ . 1 . ]" 1
411 1 84 ASN HB2 1 85 LEU H 5.000 . 6.000 2.809 2.506 3.843 . 0 0 "[ . 1 . ]" 1
412 1 86 ILE H 1 86 ILE HG13 3.500 . 5.000 3.502 3.354 3.590 . 0 0 "[ . 1 . ]" 1
413 1 86 ILE H 1 86 ILE HG12 3.400 . 4.800 2.612 2.359 2.728 . 0 0 "[ . 1 . ]" 1
414 1 86 ILE HG12 1 87 LYS H 4.000 . 6.000 4.566 4.437 4.637 . 0 0 "[ . 1 . ]" 1
415 1 85 LEU HB3 1 86 ILE H 3.600 . 5.200 3.541 2.538 3.705 . 0 0 "[ . 1 . ]" 1
416 1 86 ILE MG 1 87 LYS H 3.300 . 4.700 3.060 2.956 3.245 . 0 0 "[ . 1 . ]" 1
417 1 87 LYS H 1 87 LYS HA 2.200 . 2.800 2.823 2.809 2.842 0.042 12 0 "[ . 1 . ]" 1
418 1 86 ILE HA 1 87 LYS H 3.100 . 4.300 3.560 3.551 3.568 . 0 0 "[ . 1 . ]" 1
419 1 86 ILE HB 1 87 LYS H 2.400 . 3.100 2.656 2.569 2.706 . 0 0 "[ . 1 . ]" 1
420 1 87 LYS HB3 1 88 GLU H 4.000 . 5.600 2.747 2.500 3.652 . 0 0 "[ . 1 . ]" 1
421 1 87 LYS HA 1 88 GLU H 3.700 . 5.400 3.558 3.538 3.567 . 0 0 "[ . 1 . ]" 1
422 1 84 ASN HA 1 88 GLU H 3.200 . 4.500 4.466 4.260 4.558 0.058 1 0 "[ . 1 . ]" 1
423 1 87 LYS QG 1 88 GLU H 4.600 . 6.000 3.813 3.536 4.392 . 0 0 "[ . 1 . ]" 1
424 1 86 ILE HA 1 89 LEU H 3.800 . 5.600 3.246 3.161 3.299 . 0 0 "[ . 1 . ]" 1
425 1 88 GLU HB2 1 89 LEU H 3.500 . 5.000 2.706 2.596 3.002 . 0 0 "[ . 1 . ]" 1
426 1 90 ILE MG 1 91 ASP H 4.000 . 6.000 3.804 3.730 3.944 . 0 0 "[ . 1 . ]" 1
427 1 92 LYS H 1 92 LYS QG 3.400 . 4.800 2.684 2.226 3.982 . 0 0 "[ . 1 . ]" 1
428 1 92 LYS H 1 93 LYS QB 3.600 . 5.200 4.598 4.468 4.827 . 0 0 "[ . 1 . ]" 1
429 1 92 LYS QG 1 93 LYS H 3.500 . 5.000 4.018 3.528 4.196 . 0 0 "[ . 1 . ]" 1
430 1 91 ASP QB 1 93 LYS H 4.300 . 6.000 4.726 4.556 5.401 . 0 0 "[ . 1 . ]" 1
431 1 92 LYS QB 1 93 LYS H 3.400 . 4.900 2.522 2.382 2.615 . 0 0 "[ . 1 . ]" 1
432 1 93 LYS H 1 94 GLU HA 4.500 . 6.000 5.341 4.945 5.470 . 0 0 "[ . 1 . ]" 1
433 1 94 GLU H 1 94 GLU QG 3.600 . 5.200 2.399 1.941 3.031 0.059 1 0 "[ . 1 . ]" 1
434 1 93 LYS QB 1 94 GLU H 4.000 . 6.000 3.592 2.855 3.894 . 0 0 "[ . 1 . ]" 1
435 1 93 LYS QG 1 94 GLU H 3.500 . 5.000 3.009 2.351 4.460 . 0 0 "[ . 1 . ]" 1
436 1 93 LYS QG 1 95 VAL H 4.100 . 6.000 4.999 3.976 6.156 0.156 17 0 "[ . 1 . ]" 1
437 1 98 GLN H 1 98 GLN QG 2.500 . 3.300 2.505 1.913 3.300 . 0 0 "[ . 1 . ]" 1
438 1 97 PRO HA 1 98 GLN H 2.900 . 4.000 2.996 2.270 3.583 . 0 0 "[ . 1 . ]" 1
439 1 97 PRO QG 1 98 GLN H 3.500 . 5.100 3.838 2.337 4.627 . 0 0 "[ . 1 . ]" 1
440 1 99 VAL H 1 99 VAL MG2 3.600 . 5.200 2.965 2.307 3.882 . 0 0 "[ . 1 . ]" 1
441 1 98 GLN QB 1 99 VAL H 2.100 . 2.600 2.322 1.842 2.632 0.032 15 0 "[ . 1 . ]" 1
442 1 54 LYS HG2 1 99 VAL H 4.500 . 6.000 5.728 4.406 6.016 0.016 15 0 "[ . 1 . ]" 1
443 1 86 ILE MD 1 90 ILE H 4.200 . 6.000 4.593 4.466 4.749 . 0 0 "[ . 1 . ]" 1
444 1 82 TYR H 1 82 TYR HB3 4.200 . 6.000 3.534 3.048 3.612 . 0 0 "[ . 1 . ]" 1
445 1 82 TYR H 1 82 TYR HB2 3.100 . 4.300 2.270 2.163 2.441 . 0 0 "[ . 1 . ]" 1
446 1 80 PHE HB2 1 82 TYR H 4.500 . 6.000 5.149 4.970 5.311 . 0 0 "[ . 1 . ]" 1
447 1 81 SER QB 1 82 TYR H 3.100 . 4.300 2.423 2.311 2.507 . 0 0 "[ . 1 . ]" 1
448 1 35 PHE H 1 35 PHE QD 4.500 . 6.000 2.581 1.974 2.855 . 0 0 "[ . 1 . ]" 1
449 1 44 TRP H 1 44 TRP HE1 5.100 . 6.000 5.810 4.890 6.446 0.446 3 0 "[ . 1 . ]" 1
450 1 63 PHE H 1 63 PHE QD 3.600 . 5.200 2.347 2.210 2.549 . 0 0 "[ . 1 . ]" 1
451 1 66 TYR QD 1 67 TYR H 4.700 . 6.000 4.415 4.338 4.519 . 0 0 "[ . 1 . ]" 1
452 1 67 TYR QD 1 68 ASN H 3.400 . 4.800 2.685 2.257 3.192 . 0 0 "[ . 1 . ]" 1
453 1 65 ASP H 1 68 ASN H 4.500 . 6.000 5.048 4.939 5.152 . 0 0 "[ . 1 . ]" 1
454 1 83 TRP H 1 83 TRP HD1 5.300 . 6.000 5.260 5.226 5.289 . 0 0 "[ . 1 . ]" 1
455 1 83 TRP HD1 1 84 ASN H 4.600 . 6.000 4.544 4.323 4.619 . 0 0 "[ . 1 . ]" 1
456 1 53 ILE H 1 90 ILE MD 3.400 . 4.900 3.615 2.808 3.939 . 0 0 "[ . 1 . ]" 1
457 1 11 TYR QD 1 12 VAL H 3.000 . 4.500 3.339 3.099 3.741 . 0 0 "[ . 1 . ]" 1
458 1 11 TYR QD 1 13 GLU H 5.200 . 6.000 5.392 5.176 5.653 . 0 0 "[ . 1 . ]" 1
459 1 8 HIS HA 1 12 VAL H 3.500 . 5.000 4.488 4.182 4.687 . 0 0 "[ . 1 . ]" 1
460 1 15 LEU HA 1 19 LEU H 3.500 . 5.500 4.331 4.140 4.539 . 0 0 "[ . 1 . ]" 1
461 1 40 ASP H 1 41 THR H 4.900 . 6.000 2.548 2.436 2.622 . 0 0 "[ . 1 . ]" 1
462 1 27 LYS HA 1 31 LEU H 4.500 . 6.000 5.974 5.720 6.061 0.061 7 0 "[ . 1 . ]" 1
463 1 59 VAL HA 1 63 PHE H 5.200 . 6.000 3.622 3.483 3.805 . 0 0 "[ . 1 . ]" 1
464 1 47 GLN HA 1 48 GLU H 3.500 . 5.000 2.267 2.187 2.423 . 0 0 "[ . 1 . ]" 1
465 1 62 CYS HA 1 66 TYR H 3.900 . 5.800 4.417 4.202 4.600 . 0 0 "[ . 1 . ]" 1
466 1 63 PHE HA 1 67 TYR H 3.500 . 5.000 4.222 4.116 4.354 . 0 0 "[ . 1 . ]" 1
467 1 78 THR HA 1 81 SER H 3.500 . 5.000 3.333 3.134 3.577 . 0 0 "[ . 1 . ]" 1
468 1 86 ILE H 1 87 LYS H 4.500 . 6.000 2.696 2.665 2.731 . 0 0 "[ . 1 . ]" 1
469 1 77 VAL HA 1 80 PHE H 2.900 . 4.000 3.328 3.108 3.452 . 0 0 "[ . 1 . ]" 1
470 1 71 GLY H 1 73 GLU H 4.000 . 5.500 4.646 4.485 4.725 . 0 0 "[ . 1 . ]" 1
471 1 79 ALA H 1 81 SER H 4.500 . 6.000 4.208 4.050 4.344 . 0 0 "[ . 1 . ]" 1
472 1 67 TYR QD 1 69 THR H 5.100 . 6.000 5.015 4.700 5.347 . 0 0 "[ . 1 . ]" 1
473 1 56 TRP HD1 1 59 VAL H 3.500 . 5.000 4.455 4.008 5.076 0.076 12 0 "[ . 1 . ]" 1
474 1 95 VAL MG1 1 98 GLN H 4.500 . 6.000 5.941 4.991 6.241 0.241 1 0 "[ . 1 . ]" 1
475 1 41 THR HA 1 42 CYS H 3.000 . 4.100 3.573 3.526 3.589 . 0 0 "[ . 1 . ]" 1
476 1 59 VAL HA 1 61 ASP H 4.300 . 6.000 4.599 4.530 4.744 . 0 0 "[ . 1 . ]" 1
477 1 59 VAL HB 1 61 ASP H 5.000 . 6.000 5.143 5.036 5.214 . 0 0 "[ . 1 . ]" 1
478 1 59 VAL HA 1 62 CYS H 3.700 . 5.400 3.436 3.315 3.575 . 0 0 "[ . 1 . ]" 1
479 1 66 TYR H 1 75 VAL MG1 4.500 . 6.500 4.742 4.445 5.015 . 0 0 "[ . 1 . ]" 1
480 1 66 TYR H 1 75 VAL MG2 4.500 . 6.500 4.018 3.896 4.207 . 0 0 "[ . 1 . ]" 1
481 1 66 TYR H 1 75 VAL HB 4.500 . 6.500 6.566 6.493 6.653 0.153 6 0 "[ . 1 . ]" 1
482 1 71 GLY HA3 1 73 GLU H 4.500 . 6.000 3.259 3.211 3.310 . 0 0 "[ . 1 . ]" 1
483 1 72 PRO HB3 1 75 VAL H 4.500 . 6.000 5.344 5.136 5.557 . 0 0 "[ . 1 . ]" 1
484 1 72 PRO HB2 1 75 VAL H 4.500 . 6.000 5.294 5.127 5.463 . 0 0 "[ . 1 . ]" 1
485 1 91 ASP HA 1 93 LYS H 3.400 . 4.800 4.524 4.275 4.698 . 0 0 "[ . 1 . ]" 1
486 1 87 LYS HA 1 91 ASP H 3.500 . 5.000 3.752 3.383 4.175 . 0 0 "[ . 1 . ]" 1
487 1 91 ASP H 1 92 LYS HA 4.500 . 6.000 5.378 5.123 5.439 . 0 0 "[ . 1 . ]" 1
488 1 91 ASP HA 1 95 VAL H 4.500 . 6.000 6.000 5.278 6.189 0.189 7 0 "[ . 1 . ]" 1
489 1 96 ASN H 1 97 PRO HA 4.900 . 6.000 4.652 4.523 5.547 . 0 0 "[ . 1 . ]" 1
490 1 96 ASN H 1 97 PRO QD 3.800 . 5.600 3.292 3.158 3.946 . 0 0 "[ . 1 . ]" 1
491 1 97 PRO QD 1 98 GLN H 3.000 . 4.500 4.034 2.143 4.985 0.485 9 0 "[ . 1 . ]" 1
492 1 93 LYS H 1 95 VAL MG1 3.900 . 5.800 5.653 4.968 5.932 0.132 1 0 "[ . 1 . ]" 1
493 1 99 VAL HB 1 100 MET H 3.500 . 5.000 4.332 4.222 4.497 . 0 0 "[ . 1 . ]" 1
494 1 56 TRP H 1 58 ARG H 3.200 . 4.500 4.330 4.201 4.457 . 0 0 "[ . 1 . ]" 1
495 1 55 PHE HB2 1 56 TRP H 3.200 . 4.500 3.894 3.227 4.174 . 0 0 "[ . 1 . ]" 1
496 1 54 LYS H 1 56 TRP H 5.300 . 6.000 3.849 3.760 4.122 . 0 0 "[ . 1 . ]" 1
497 1 57 ARG H 1 58 ARG HD3 5.100 . 6.000 6.033 5.872 6.201 0.201 9 0 "[ . 1 . ]" 1
498 1 55 PHE HA 1 55 PHE HD1 4.500 . 6.000 2.868 2.228 3.735 . 0 0 "[ . 1 . ]" 1
499 1 58 ARG H 1 58 ARG HG2 3.300 . 4.700 3.397 1.954 4.020 . 0 0 "[ . 1 . ]" 1
500 1 56 TRP HA 1 59 VAL H 3.500 . 5.000 3.341 3.228 3.606 . 0 0 "[ . 1 . ]" 1
501 1 60 GLY H 1 62 CYS H 3.500 . 5.000 4.082 4.003 4.159 . 0 0 "[ . 1 . ]" 1
502 1 61 ASP HA 1 64 GLN H 3.100 . 4.300 3.642 3.505 3.760 . 0 0 "[ . 1 . ]" 1
503 1 65 ASP H 1 66 TYR HB2 3.500 . 5.000 4.769 4.679 4.838 . 0 0 "[ . 1 . ]" 1
504 1 66 TYR H 1 69 THR HB 4.000 . 6.000 4.981 4.689 5.081 . 0 0 "[ . 1 . ]" 1
505 1 64 GLN QG 1 68 ASN H 3.200 . 4.400 3.961 3.802 4.211 . 0 0 "[ . 1 . ]" 1
506 1 68 ASN H 1 75 VAL MG2 4.500 . 6.000 4.736 4.590 4.886 . 0 0 "[ . 1 . ]" 1
507 1 67 TYR HA 1 69 THR H 4.600 . 6.000 4.436 4.281 4.545 . 0 0 "[ . 1 . ]" 1
508 1 74 LYS H 1 75 VAL MG1 5.000 . 6.500 4.808 4.607 5.092 . 0 0 "[ . 1 . ]" 1
509 1 79 ALA H 1 80 PHE H 2.500 . 3.300 2.760 2.597 2.861 . 0 0 "[ . 1 . ]" 1
510 1 76 PRO HD3 1 79 ALA H 4.500 . 6.000 5.336 4.724 5.860 . 0 0 "[ . 1 . ]" 1
511 1 76 PRO HD2 1 79 ALA H 4.500 . 6.050 3.770 3.077 4.394 . 0 0 "[ . 1 . ]" 1
512 1 79 ALA HA 1 81 SER H 5.900 . 6.000 4.534 4.416 4.704 . 0 0 "[ . 1 . ]" 1
513 1 82 TYR H 1 82 TYR QD 2.700 . 3.600 2.897 2.225 3.719 0.119 13 0 "[ . 1 . ]" 1
514 1 82 TYR H 1 83 TRP H 3.700 . 5.400 2.695 2.640 2.749 . 0 0 "[ . 1 . ]" 1
515 1 80 PHE HA 1 83 TRP H 3.500 . 5.000 3.465 3.350 3.571 . 0 0 "[ . 1 . ]" 1
516 1 86 ILE H 1 89 LEU H 3.500 . 5.000 4.762 4.626 4.905 . 0 0 "[ . 1 . ]" 1
517 1 85 LEU H 1 86 ILE H 2.400 . 3.100 2.678 2.620 2.723 . 0 0 "[ . 1 . ]" 1
518 1 83 TRP HA 1 86 ILE H 3.500 . 5.000 3.194 3.157 3.228 . 0 0 "[ . 1 . ]" 1
519 1 84 ASN HB3 1 87 LYS H 4.500 . 6.000 5.420 5.315 5.579 . 0 0 "[ . 1 . ]" 1
520 1 85 LEU HA 1 88 GLU H 3.000 . 4.100 3.518 3.441 3.588 . 0 0 "[ . 1 . ]" 1
521 1 89 LEU H 1 90 ILE HG12 3.000 . 4.500 3.906 3.763 3.979 . 0 0 "[ . 1 . ]" 1
522 1 89 LEU HA 1 91 ASP H 3.600 . 5.200 4.634 4.156 4.933 . 0 0 "[ . 1 . ]" 1
523 1 33 LYS H 1 33 LYS QG 3.500 . 5.000 2.260 2.184 2.367 . 0 0 "[ . 1 . ]" 1
524 1 14 GLN HB2 1 15 LEU H 3.800 . 5.600 3.889 3.838 3.964 . 0 0 "[ . 1 . ]" 1
525 1 15 LEU H 1 15 LEU HG 3.500 . 5.000 4.443 4.407 4.481 . 0 0 "[ . 1 . ]" 1
526 1 15 LEU H 1 17 GLN H 4.500 . 6.000 4.186 4.100 4.277 . 0 0 "[ . 1 . ]" 1
527 1 14 GLN QG 1 18 ALA H 3.100 . 4.300 4.194 4.053 4.336 0.036 14 0 "[ . 1 . ]" 1
528 1 22 ARG H 1 22 ARG HB3 2.700 . 3.600 3.535 2.211 3.642 0.042 13 0 "[ . 1 . ]" 1
529 1 25 LYS HG2 1 26 VAL H 5.800 . 6.000 4.752 4.589 5.101 . 0 0 "[ . 1 . ]" 1
530 1 31 LEU H 1 34 PHE QB 4.000 . 5.500 4.728 4.560 4.872 . 0 0 "[ . 1 . ]" 1
531 1 35 PHE H 1 59 VAL MG2 4.500 . 6.500 6.371 6.019 6.549 0.049 10 0 "[ . 1 . ]" 1
532 1 42 CYS H 1 44 TRP H 4.500 . 6.000 3.746 3.359 4.459 . 0 0 "[ . 1 . ]" 1
533 1 62 CYS H 1 63 PHE H 2.300 . 3.000 2.748 2.606 2.833 . 0 0 "[ . 1 . ]" 1
534 1 52 ASP H 1 90 ILE MD 4.500 . 6.000 5.255 4.605 5.993 . 0 0 "[ . 1 . ]" 1
535 1 53 ILE H 1 86 ILE MG 4.500 . 6.500 6.285 5.708 6.511 0.011 15 0 "[ . 1 . ]" 1
536 1 54 LYS HG2 1 55 PHE H 3.500 . 5.000 4.678 3.777 5.038 0.038 1 0 "[ . 1 . ]" 1
537 1 58 ARG HG3 1 59 VAL H 4.000 . 5.500 4.476 4.302 4.862 . 0 0 "[ . 1 . ]" 1
538 1 64 GLN QG 1 65 ASP H 3.300 . 4.700 3.688 3.565 3.861 . 0 0 "[ . 1 . ]" 1
539 1 36 ASP HB3 1 37 PHE H 5.400 . 6.000 3.326 2.609 3.516 . 0 0 "[ . 1 . ]" 1
540 1 82 TYR H 1 83 TRP HA 4.400 . 6.000 5.346 5.303 5.389 . 0 0 "[ . 1 . ]" 1
541 1 89 LEU H 1 90 ILE MD 3.500 . 5.000 4.954 4.777 5.076 0.076 1 0 "[ . 1 . ]" 1
542 1 53 ILE MD 1 91 ASP H 4.200 . 6.000 4.603 3.888 5.183 . 0 0 "[ . 1 . ]" 1
543 1 93 LYS H 1 94 GLU QG 5.000 . 6.000 5.521 5.041 6.026 0.026 6 0 "[ . 1 . ]" 1
544 1 96 ASN H 1 97 PRO QG 3.500 . 5.000 4.802 4.356 5.509 0.509 6 1 "[ .+ 1 . ]" 1
545 1 10 ARG H 1 12 VAL H 3.100 . 4.300 4.269 4.095 4.431 0.131 9 0 "[ . 1 . ]" 1
546 1 12 VAL HA 1 15 LEU HB2 5.100 . 6.000 3.169 3.024 3.468 . 0 0 "[ . 1 . ]" 1
547 1 12 VAL HA 1 15 LEU HB3 3.900 . 5.800 2.578 2.345 2.856 . 0 0 "[ . 1 . ]" 1
548 1 12 VAL MG2 1 15 LEU HB2 4.200 . 6.000 5.207 4.596 5.949 . 0 0 "[ . 1 . ]" 1
549 1 10 ARG HA 1 12 VAL MG2 3.500 . 5.000 4.726 4.100 5.227 0.227 6 0 "[ . 1 . ]" 1
550 1 12 VAL HB 1 13 GLU HA 3.000 . 4.500 4.294 4.038 4.525 0.025 12 0 "[ . 1 . ]" 1
551 1 86 ILE HA 1 86 ILE MD 3.900 . 5.800 2.241 2.178 2.281 . 0 0 "[ . 1 . ]" 1
552 1 83 TRP HA 1 86 ILE MD 4.500 . 6.000 4.591 4.378 4.766 . 0 0 "[ . 1 . ]" 1
553 1 86 ILE MD 1 90 ILE MD 4.000 . 6.000 4.266 3.932 4.492 . 0 0 "[ . 1 . ]" 1
554 1 86 ILE MG 1 90 ILE MD 3.600 . 5.200 2.231 2.103 2.370 . 0 0 "[ . 1 . ]" 1
555 1 51 ILE HB 1 90 ILE MD 3.300 . 4.800 4.301 3.335 4.805 0.005 9 0 "[ . 1 . ]" 1
556 1 87 LYS HA 1 90 ILE MD 3.400 . 4.800 2.171 2.079 2.252 . 0 0 "[ . 1 . ]" 1
557 1 53 ILE HB 1 53 ILE MD 2.800 . 3.800 2.324 2.221 3.153 . 0 0 "[ . 1 . ]" 1
558 1 53 ILE MD 1 90 ILE MD 3.800 . 5.600 2.917 2.236 3.181 . 0 0 "[ . 1 . ]" 1
559 1 53 ILE MD 1 91 ASP QB 4.500 . 6.000 4.487 2.780 4.993 . 0 0 "[ . 1 . ]" 1
560 1 53 ILE MD 1 91 ASP HA 4.000 . 6.000 3.783 2.927 4.360 . 0 0 "[ . 1 . ]" 1
561 1 51 ILE MD 1 86 ILE MG 3.500 . 5.000 4.266 3.738 4.872 . 0 0 "[ . 1 . ]" 1
562 1 85 LEU HA 1 86 ILE MG 4.500 . 6.000 6.068 6.038 6.104 0.104 10 0 "[ . 1 . ]" 1
563 1 59 VAL MG2 1 60 GLY HA2 4.000 . 6.000 5.423 5.418 5.430 . 0 0 "[ . 1 . ]" 1
564 1 59 VAL MG2 1 62 CYS HB3 4.500 . 6.000 5.289 5.057 5.482 . 0 0 "[ . 1 . ]" 1
565 1 34 PHE HA 1 59 VAL MG2 4.000 . 6.000 3.706 3.085 3.986 . 0 0 "[ . 1 . ]" 1
566 1 37 PHE HB2 1 59 VAL MG2 5.000 . 6.000 5.115 4.342 5.938 . 0 0 "[ . 1 . ]" 1
567 1 56 TRP HA 1 59 VAL MG2 4.500 . 6.000 2.911 2.646 3.385 . 0 0 "[ . 1 . ]" 1
568 1 86 ILE HB 1 86 ILE HG12 2.300 . 3.000 2.654 2.634 2.668 . 0 0 "[ . 1 . ]" 1
569 1 86 ILE HA 1 86 ILE HG13 3.300 . 4.700 3.634 3.601 3.686 . 0 0 "[ . 1 . ]" 1
570 1 51 ILE HA 1 51 ILE MD 3.400 . 4.800 2.211 2.168 2.320 . 0 0 "[ . 1 . ]" 1
571 1 87 LYS HA 1 90 ILE HG12 3.800 . 5.600 2.284 2.215 2.353 . 0 0 "[ . 1 . ]" 1
572 1 90 ILE HA 1 90 ILE HG12 3.000 . 4.200 3.644 3.624 3.669 . 0 0 "[ . 1 . ]" 1
573 1 51 ILE MG 1 86 ILE MG 3.400 . 4.900 2.214 1.945 3.098 . 0 0 "[ . 1 . ]" 1
574 1 51 ILE MG 1 56 TRP HB2 2.800 . 3.800 3.175 2.583 3.726 . 0 0 "[ . 1 . ]" 1
575 1 51 ILE MG 1 56 TRP HA 3.500 . 5.500 4.100 3.374 4.392 . 0 0 "[ . 1 . ]" 1
576 1 51 ILE MG 1 56 TRP H 4.500 . 6.500 4.142 3.596 4.413 . 0 0 "[ . 1 . ]" 1
577 1 89 LEU HB2 1 90 ILE MG 4.500 . 6.000 3.825 3.184 4.629 . 0 0 "[ . 1 . ]" 1
578 1 89 LEU HB3 1 90 ILE MG 3.000 . 4.500 3.295 3.045 3.638 . 0 0 "[ . 1 . ]" 1
579 1 86 ILE HA 1 90 ILE MG 5.300 . 6.000 3.797 3.540 4.034 . 0 0 "[ . 1 . ]" 1
580 1 53 ILE H 1 90 ILE MG 3.500 . 5.000 4.903 4.506 5.228 0.228 5 0 "[ . 1 . ]" 1
581 1 29 ALA MB 1 33 LYS QE 2.300 . 3.000 2.547 2.293 2.840 . 0 0 "[ . 1 . ]" 1
582 1 53 ILE MG 1 90 ILE HG13 3.500 . 5.000 5.070 4.853 5.138 0.138 5 0 "[ . 1 . ]" 1
583 1 53 ILE MG 1 54 LYS HA 3.200 . 4.500 3.718 3.303 3.969 . 0 0 "[ . 1 . ]" 1
584 1 53 ILE MG 1 56 TRP HA 4.500 . 6.000 5.423 5.081 5.731 . 0 0 "[ . 1 . ]" 1
585 1 18 ALA MB 1 19 LEU MD1 3.500 . 5.000 4.459 4.095 4.593 . 0 0 "[ . 1 . ]" 1
586 1 35 PHE HA 1 38 VAL MG2 3.400 . 4.800 2.932 2.567 3.245 . 0 0 "[ . 1 . ]" 1
587 1 38 VAL MG2 1 59 VAL MG1 4.500 . 6.000 4.325 4.027 4.603 . 0 0 "[ . 1 . ]" 1
588 1 38 VAL MG2 1 59 VAL MG2 3.300 . 4.800 4.456 4.090 4.649 . 0 0 "[ . 1 . ]" 1
589 1 77 VAL HA 1 77 VAL MG1 3.500 . 5.000 2.466 2.226 3.198 . 0 0 "[ . 1 . ]" 1
590 1 24 VAL HB 1 26 VAL MG2 3.000 . 4.500 4.522 4.376 4.626 0.126 17 0 "[ . 1 . ]" 1
591 1 80 PHE HA 1 83 TRP HB2 3.500 . 5.000 3.059 2.903 3.252 . 0 0 "[ . 1 . ]" 1
592 1 80 PHE HA 1 83 TRP HB3 3.500 . 5.000 3.002 2.873 3.224 . 0 0 "[ . 1 . ]" 1
593 1 7 GLN HA 1 7 GLN QG 2.900 . 4.000 2.400 2.260 2.894 . 0 0 "[ . 1 . ]" 1
594 1 86 ILE MD 1 90 ILE HB 4.500 . 6.000 6.107 6.057 6.233 0.233 10 0 "[ . 1 . ]" 1
595 1 52 ASP HA 1 53 ILE HB 4.700 . 6.000 4.731 4.540 4.874 . 0 0 "[ . 1 . ]" 1
596 1 90 ILE HB 1 91 ASP HA 4.400 . 6.000 4.538 4.476 4.687 . 0 0 "[ . 1 . ]" 1
597 1 87 LYS HA 1 90 ILE HB 3.800 . 5.600 4.962 4.907 5.056 . 0 0 "[ . 1 . ]" 1
598 1 59 VAL HA 1 62 CYS HB2 3.600 . 5.200 2.450 2.362 2.602 . 0 0 "[ . 1 . ]" 1
599 1 59 VAL HA 1 62 CYS HB3 3.900 . 5.800 4.015 3.805 4.211 . 0 0 "[ . 1 . ]" 1
600 1 45 PHE HA 1 46 PRO HD2 3.400 . 4.800 3.597 2.313 4.078 . 0 0 "[ . 1 . ]" 1
601 1 45 PHE HB2 1 46 PRO HD3 4.400 . 6.000 2.988 2.177 4.912 . 0 0 "[ . 1 . ]" 1
602 1 41 THR MG 1 76 PRO HD2 3.900 . 5.800 3.258 2.394 3.766 . 0 0 "[ . 1 . ]" 1
603 1 86 ILE MD 1 87 LYS HA 4.500 . 6.000 5.475 5.381 5.634 . 0 0 "[ . 1 . ]" 1
604 1 86 ILE HB 1 87 LYS HA 4.500 2.800 6.000 4.518 4.393 4.583 . 0 0 "[ . 1 . ]" 1
605 1 86 ILE MG 1 87 LYS HA 4.100 . 6.000 3.135 3.068 3.273 . 0 0 "[ . 1 . ]" 1
606 1 69 THR MG 1 70 PHE HA 3.600 . 5.200 3.868 3.640 4.054 . 0 0 "[ . 1 . ]" 1
607 1 76 PRO HB2 1 77 VAL HA 5.000 . 6.000 4.823 4.511 5.060 . 0 0 "[ . 1 . ]" 1
608 1 77 VAL HA 1 80 PHE HA 4.000 . 6.000 5.700 5.323 5.890 . 0 0 "[ . 1 . ]" 1
609 1 41 THR HB 1 42 CYS HB3 4.100 . 5.600 4.409 3.253 5.194 . 0 0 "[ . 1 . ]" 1
610 1 38 VAL HA 1 41 THR HA 4.500 . 6.000 5.155 4.997 5.754 . 0 0 "[ . 1 . ]" 1
611 1 35 PHE HA 1 38 VAL HB 3.500 . 5.000 2.886 2.586 3.177 . 0 0 "[ . 1 . ]" 1
612 1 85 LEU MD2 1 86 ILE HA 4.500 . 6.000 5.475 2.729 5.724 . 0 0 "[ . 1 . ]" 1
613 1 86 ILE HA 1 86 ILE HG12 3.700 . 5.400 2.477 2.409 2.573 . 0 0 "[ . 1 . ]" 1
614 1 85 LEU HB3 1 86 ILE HA 3.500 . 5.000 4.385 4.211 4.486 . 0 0 "[ . 1 . ]" 1
615 1 53 ILE HA 1 90 ILE MG 4.500 . 6.000 5.433 5.187 5.864 . 0 0 "[ . 1 . ]" 1
616 1 53 ILE HA 1 90 ILE MD 3.800 . 5.600 3.448 3.008 3.723 . 0 0 "[ . 1 . ]" 1
617 1 53 ILE HA 1 56 TRP QB 3.500 . 4.500 2.371 2.215 2.522 . 0 0 "[ . 1 . ]" 1
618 1 65 ASP HA 1 66 TYR HB2 5.000 . 6.000 5.771 5.716 5.819 . 0 0 "[ . 1 . ]" 1
619 1 36 ASP HA 1 38 VAL HB 4.000 . 6.000 5.260 5.044 5.469 . 0 0 "[ . 1 . ]" 1
620 1 86 ILE HB 1 87 LYS HB2 4.000 . 6.000 4.598 4.410 5.166 . 0 0 "[ . 1 . ]" 1
621 1 85 LEU HB2 1 85 LEU MD2 2.600 . 3.500 3.176 3.073 3.192 . 0 0 "[ . 1 . ]" 1
622 1 31 LEU MD2 1 32 LEU HB2 4.500 . 6.000 5.918 5.831 6.230 0.230 14 0 "[ . 1 . ]" 1
623 1 32 LEU HB2 1 32 LEU MD1 2.300 . 2.900 2.312 2.238 2.392 . 0 0 "[ . 1 . ]" 1
624 1 85 LEU HB3 1 85 LEU MD2 2.000 . 2.500 2.197 2.150 2.256 . 0 0 "[ . 1 . ]" 1
625 1 89 LEU HB2 1 89 LEU MD2 2.000 . 2.500 2.406 2.274 3.169 0.669 12 1 "[ . 1 + . ]" 1
626 1 11 TYR HA 1 12 VAL HA 3.500 . 5.000 4.799 4.745 4.843 . 0 0 "[ . 1 . ]" 1
627 1 57 ARG HA 1 58 ARG QB 5.000 . 6.000 5.455 5.427 5.506 . 0 0 "[ . 1 . ]" 1
628 1 75 VAL HA 1 76 PRO HD3 2.900 . 4.000 2.374 2.294 2.513 . 0 0 "[ . 1 . ]" 1
629 1 63 PHE HB2 1 64 GLN HA 4.500 . 6.000 4.770 4.709 4.840 . 0 0 "[ . 1 . ]" 1
630 1 4 GLU HA 1 4 GLU QG 2.900 . 4.000 2.419 2.289 2.853 . 0 0 "[ . 1 . ]" 1
631 1 90 ILE MG 1 91 ASP HA 4.500 . 6.000 5.420 5.402 5.451 . 0 0 "[ . 1 . ]" 1
632 1 29 ALA HA 1 32 LEU HB3 4.900 . 6.000 4.442 4.058 4.605 . 0 0 "[ . 1 . ]" 1
633 1 29 ALA HA 1 32 LEU MD2 4.900 . 6.000 4.813 4.597 5.010 . 0 0 "[ . 1 . ]" 1
634 1 5 LEU HA 1 5 LEU MD1 3.700 . 5.400 3.800 3.789 3.817 . 0 0 "[ . 1 . ]" 1
635 1 96 ASN HA 1 97 PRO QD 2.900 . 3.900 2.094 1.863 2.135 0.037 6 0 "[ . 1 . ]" 1
636 1 71 GLY HA3 1 72 PRO QD 3.200 . 4.500 2.174 2.107 2.232 . 0 0 "[ . 1 . ]" 1
637 1 72 PRO HB3 1 76 PRO HD3 4.500 . 6.000 5.680 5.326 6.025 0.025 6 0 "[ . 1 . ]" 1
638 1 43 PRO HA 1 43 PRO QD 2.600 . 3.500 3.200 3.140 3.349 . 0 0 "[ . 1 . ]" 1
639 1 45 PHE HA 1 46 PRO HD3 3.500 . 5.000 3.484 2.275 3.771 . 0 0 "[ . 1 . ]" 1
640 1 71 GLY HA2 1 72 PRO QD 3.500 . 5.000 2.393 2.281 2.525 . 0 0 "[ . 1 . ]" 1
641 1 41 THR MG 1 76 PRO HD3 3.500 . 5.100 3.829 3.125 4.314 . 0 0 "[ . 1 . ]" 1
642 1 75 VAL HA 1 76 PRO HD2 3.500 . 5.000 2.337 2.198 2.449 . 0 0 "[ . 1 . ]" 1
643 1 71 GLY HA2 1 72 PRO HG2 4.700 . 6.000 5.079 4.975 5.238 . 0 0 "[ . 1 . ]" 1
644 1 71 GLY HA3 1 72 PRO HB2 4.300 . 6.000 5.352 5.108 5.593 . 0 0 "[ . 1 . ]" 1
645 1 58 ARG HA 1 58 ARG HD2 3.900 . 5.800 4.399 2.848 4.774 . 0 0 "[ . 1 . ]" 1
646 1 53 ILE MG 1 57 ARG HD2 3.600 . 5.100 4.558 3.536 5.271 0.171 11 0 "[ . 1 . ]" 1
647 1 68 ASN HA 1 68 ASN HB3 2.300 . 2.900 2.690 2.501 3.035 0.135 5 0 "[ . 1 . ]" 1
648 1 70 PHE HB2 1 74 LYS HG3 3.500 . 5.000 2.301 2.256 2.451 . 0 0 "[ . 1 . ]" 1
649 1 70 PHE HB2 1 74 LYS HG2 3.500 . 5.000 2.764 2.546 2.990 . 0 0 "[ . 1 . ]" 1
650 1 1 MET HB2 1 32 LEU MD1 4.500 . 6.000 4.728 3.314 5.736 . 0 0 "[ . 1 . ]" 1
651 1 32 LEU MD1 1 33 LYS QG 3.500 . 5.000 4.646 4.517 4.735 . 0 0 "[ . 1 . ]" 1
652 1 5 LEU MD1 1 9 GLU QB 3.500 . 5.000 4.539 4.269 5.030 0.030 12 0 "[ . 1 . ]" 1
653 1 94 GLU HB3 1 95 VAL MG1 4.000 . 5.500 5.203 4.825 5.635 0.135 1 0 "[ . 1 . ]" 1
654 1 5 LEU QB 1 9 GLU QB 3.600 . 5.200 3.392 3.063 3.857 . 0 0 "[ . 1 . ]" 1
655 1 5 LEU QB 1 10 ARG QB 3.500 . 5.000 4.125 3.908 4.362 . 0 0 "[ . 1 . ]" 1
656 1 1 MET QG 1 5 LEU MD1 3.800 . 5.600 4.728 3.033 5.684 0.084 14 0 "[ . 1 . ]" 1
657 1 15 LEU HA 1 15 LEU HB3 2.400 . 3.100 3.036 3.034 3.040 . 0 0 "[ . 1 . ]" 1
658 1 51 ILE MD 1 51 ILE MG 2.600 . 3.400 1.754 1.708 1.826 0.092 5 0 "[ . 1 . ]" 1
659 1 51 ILE MG 1 83 TRP HD1 4.000 . 6.000 4.952 4.541 5.880 . 0 0 "[ . 1 . ]" 1
660 1 75 VAL HA 1 75 VAL MG1 2.200 . 2.800 2.261 2.212 2.327 . 0 0 "[ . 1 . ]" 1
661 1 67 TYR HB3 1 68 ASN HB2 3.500 . 5.000 4.590 4.160 4.766 . 0 0 "[ . 1 . ]" 1
662 1 62 CYS HA 1 65 ASP HB3 3.500 . 5.000 4.164 2.839 4.521 . 0 0 "[ . 1 . ]" 1
663 1 31 LEU HB2 1 32 LEU HB3 4.500 . 6.000 5.988 5.662 6.052 0.052 2 0 "[ . 1 . ]" 1
664 1 27 LYS QE 1 97 PRO QD 4.500 . 6.000 5.891 5.262 6.099 0.099 15 0 "[ . 1 . ]" 1
665 1 47 GLN QB 1 48 GLU HA 3.500 . 5.000 4.224 3.978 4.619 . 0 0 "[ . 1 . ]" 1
666 1 19 LEU HA 1 24 VAL HB 4.000 . 5.500 3.922 3.713 4.426 . 0 0 "[ . 1 . ]" 1
667 1 31 LEU HB2 1 32 LEU HA 3.500 . 5.000 4.617 4.104 4.707 . 0 0 "[ . 1 . ]" 1
668 1 32 LEU HA 1 35 PHE HB2 4.500 . 6.000 3.258 3.034 3.487 . 0 0 "[ . 1 . ]" 1
669 1 41 THR MG 1 75 VAL HA 3.200 . 4.500 3.074 2.543 3.427 . 0 0 "[ . 1 . ]" 1
670 1 38 VAL HB 1 39 LYS HA 3.300 . 4.700 4.379 4.287 4.537 . 0 0 "[ . 1 . ]" 1
671 1 76 PRO QB 1 78 THR HB 4.600 . 6.000 4.182 2.570 5.188 . 0 0 "[ . 1 . ]" 1
672 1 20 LYS QG 1 21 THR HA 4.500 . 6.000 4.522 3.650 5.797 . 0 0 "[ . 1 . ]" 1
673 1 76 PRO HA 1 77 VAL MG1 4.000 . 6.000 4.485 3.723 5.703 . 0 0 "[ . 1 . ]" 1
674 1 76 PRO HA 1 79 ALA MB 4.600 . 6.000 5.188 4.750 5.571 . 0 0 "[ . 1 . ]" 1
675 1 30 ASP HA 1 33 LYS QD 3.700 . 5.400 2.696 2.412 3.009 . 0 0 "[ . 1 . ]" 1
676 1 1 MET HA 1 32 LEU MD2 3.400 . 4.900 4.799 4.431 4.975 0.075 14 0 "[ . 1 . ]" 1
677 1 75 VAL MG1 1 76 PRO HD2 4.000 . 6.000 4.162 4.047 4.326 . 0 0 "[ . 1 . ]" 1
678 1 75 VAL MG1 1 76 PRO HD3 4.500 . 6.000 4.119 4.042 4.216 . 0 0 "[ . 1 . ]" 1
679 1 75 VAL HB 1 76 PRO HD3 5.000 . 6.000 4.639 4.575 4.728 . 0 0 "[ . 1 . ]" 1
680 1 45 PHE HB2 1 46 PRO HD2 3.800 . 5.600 3.974 3.448 5.382 . 0 0 "[ . 1 . ]" 1
681 1 19 LEU HB2 1 24 VAL HB 3.500 . 5.000 3.606 3.230 5.036 0.036 18 0 "[ . 1 . ]" 1
682 1 1 MET QG 1 2 GLY QA 3.800 . 5.600 4.489 3.041 5.219 . 0 0 "[ . 1 . ]" 1
683 1 12 VAL HA 1 15 LEU MD1 4.000 . 5.500 4.916 4.756 5.199 . 0 0 "[ . 1 . ]" 1
684 1 15 LEU HA 1 15 LEU MD1 4.500 . 6.200 2.068 2.045 2.089 . 0 0 "[ . 1 . ]" 1
685 1 28 TYR QB 1 29 ALA HA 4.600 . 6.000 4.035 3.880 4.194 . 0 0 "[ . 1 . ]" 1
686 1 13 GLU QG 1 14 GLN HA 3.500 . 5.100 3.621 3.529 3.689 . 0 0 "[ . 1 . ]" 1
687 1 15 LEU HB2 1 15 LEU MD1 2.200 . 2.800 2.285 2.259 2.318 . 0 0 "[ . 1 . ]" 1
688 1 12 VAL HA 1 15 LEU MD2 3.500 . 5.500 3.283 3.024 3.535 . 0 0 "[ . 1 . ]" 1
689 1 12 VAL HB 1 15 LEU MD2 3.500 . 5.500 5.018 4.175 5.676 0.176 6 0 "[ . 1 . ]" 1
690 1 15 LEU MD2 1 31 LEU MD1 3.500 . 5.500 3.888 3.286 4.509 . 0 0 "[ . 1 . ]" 1
691 1 31 LEU HB3 1 32 LEU HA 3.500 . 5.000 4.181 4.088 4.722 . 0 0 "[ . 1 . ]" 1
692 1 16 LYS HA 1 17 GLN HA 3.500 . 5.000 4.853 4.835 4.879 . 0 0 "[ . 1 . ]" 1
693 1 16 LYS HB2 1 31 LEU MD1 3.500 . 5.000 3.442 2.069 3.977 . 0 0 "[ . 1 . ]" 1
694 1 15 LEU HB3 1 31 LEU MD1 4.500 . 6.000 4.532 3.950 4.969 . 0 0 "[ . 1 . ]" 1
695 1 30 ASP HA 1 33 LYS QB 2.900 . 3.900 2.554 2.479 2.658 . 0 0 "[ . 1 . ]" 1
696 1 15 LEU HA 1 18 ALA MB 3.000 . 4.200 2.910 2.792 3.186 . 0 0 "[ . 1 . ]" 1
697 1 26 VAL HB 1 27 LYS HA 3.600 . 5.200 4.893 4.783 5.248 0.048 2 0 "[ . 1 . ]" 1
698 1 16 LYS QG 1 28 TYR QB 4.000 . 6.000 5.651 5.013 6.249 0.249 2 0 "[ . 1 . ]" 1
699 1 22 ARG HA 1 22 ARG HD2 4.600 . 6.000 4.605 4.164 4.837 . 0 0 "[ . 1 . ]" 1
700 1 22 ARG HA 1 22 ARG HD3 4.500 . 6.000 4.373 4.269 4.878 . 0 0 "[ . 1 . ]" 1
701 1 23 GLY HA2 1 24 VAL MG1 5.000 . 6.000 5.805 5.768 5.854 . 0 0 "[ . 1 . ]" 1
702 1 26 VAL MG2 1 34 PHE QB 4.500 . 6.000 5.967 5.578 6.086 0.086 14 0 "[ . 1 . ]" 1
703 1 25 LYS HA 1 26 VAL MG2 4.500 . 6.000 3.833 3.669 4.103 . 0 0 "[ . 1 . ]" 1
704 1 66 TYR HB3 1 67 TYR HA 4.000 . 6.000 4.339 4.232 4.417 . 0 0 "[ . 1 . ]" 1
705 1 66 TYR HB2 1 74 LYS HA 5.000 . 6.500 6.546 6.265 6.633 0.133 6 0 "[ . 1 . ]" 1
706 1 16 LYS QE 1 28 TYR QB 3.500 . 5.000 4.543 3.910 5.053 0.053 14 0 "[ . 1 . ]" 1
707 1 66 TYR HB2 1 75 VAL MG2 3.800 . 5.300 2.563 2.348 2.747 . 0 0 "[ . 1 . ]" 1
708 1 29 ALA MB 1 30 ASP HA 3.000 . 4.100 3.783 3.719 3.884 . 0 0 "[ . 1 . ]" 1
709 1 29 ALA MB 1 32 LEU MD1 3.000 . 4.100 3.747 3.466 3.971 . 0 0 "[ . 1 . ]" 1
710 1 5 LEU MD2 1 9 GLU HA 3.900 . 5.400 4.460 4.099 4.949 . 0 0 "[ . 1 . ]" 1
711 1 6 SER HA 1 9 GLU QB 4.800 . 6.000 4.239 4.099 4.370 . 0 0 "[ . 1 . ]" 1
712 1 58 ARG HA 1 58 ARG HG3 2.900 . 4.000 2.974 2.319 3.782 . 0 0 "[ . 1 . ]" 1
713 1 12 VAL HA 1 12 VAL MG2 3.000 . 4.000 2.736 2.295 3.196 . 0 0 "[ . 1 . ]" 1
714 1 12 VAL HA 1 15 LEU HA 4.500 . 6.000 5.143 5.021 5.358 . 0 0 "[ . 1 . ]" 1
715 1 43 PRO QG 1 44 TRP HA 4.700 . 6.000 5.888 4.733 6.067 0.067 18 0 "[ . 1 . ]" 1
716 1 31 LEU MD2 1 32 LEU HG 4.500 . 6.000 5.270 5.189 5.658 . 0 0 "[ . 1 . ]" 1
717 1 9 GLU QG 1 32 LEU MD2 4.500 . 6.000 3.151 2.190 4.212 . 0 0 "[ . 1 . ]" 1
718 1 51 ILE MD 1 55 PHE HB3 4.500 . 6.000 2.700 2.193 3.849 . 0 0 "[ . 1 . ]" 1
719 1 56 TRP HA 1 59 VAL MG1 3.500 . 5.000 3.959 3.731 4.217 . 0 0 "[ . 1 . ]" 1
720 1 57 ARG HA 1 57 ARG HD2 4.500 . 6.000 3.497 2.287 4.720 . 0 0 "[ . 1 . ]" 1
721 1 58 ARG HA 1 59 VAL MG2 4.500 . 6.000 5.061 4.948 5.150 . 0 0 "[ . 1 . ]" 1
722 1 61 ASP HA 1 64 GLN QB 2.800 . 3.800 2.604 2.443 2.844 . 0 0 "[ . 1 . ]" 1
723 1 51 ILE MD 1 53 ILE HA 3.500 . 5.000 4.366 3.876 5.332 0.332 14 0 "[ . 1 . ]" 1
724 1 63 PHE HA 1 63 PHE HB3 2.500 . 3.000 2.689 2.667 2.723 . 0 0 "[ . 1 . ]" 1
725 1 64 GLN HA 1 67 TYR HB2 5.300 . 6.000 3.435 2.951 3.661 . 0 0 "[ . 1 . ]" 1
726 1 63 PHE HB3 1 64 GLN HA 3.500 . 5.000 4.055 4.015 4.089 . 0 0 "[ . 1 . ]" 1
727 1 64 GLN HB3 1 65 ASP HA 3.700 . 5.400 4.250 4.155 4.321 . 0 0 "[ . 1 . ]" 1
728 1 66 TYR HA 1 69 THR HB 3.500 . 5.000 2.348 2.270 2.434 . 0 0 "[ . 1 . ]" 1
729 1 24 VAL HA 1 25 LYS HG2 4.200 . 6.000 4.878 3.383 5.267 . 0 0 "[ . 1 . ]" 1
730 1 5 LEU HA 1 9 GLU QG 5.900 . 6.000 3.905 2.873 4.322 . 0 0 "[ . 1 . ]" 1
731 1 67 TYR HA 1 71 GLY HA3 3.600 . 5.200 4.463 4.170 4.641 . 0 0 "[ . 1 . ]" 1
732 1 82 TYR HB3 1 83 TRP HA 4.200 . 6.000 4.164 3.921 4.375 . 0 0 "[ . 1 . ]" 1
733 1 71 GLY HA3 1 72 PRO HA 4.000 . 5.500 4.653 4.608 4.676 . 0 0 "[ . 1 . ]" 1
734 1 74 LYS HA 1 75 VAL MG1 4.500 . 6.000 3.954 3.766 4.183 . 0 0 "[ . 1 . ]" 1
735 1 3 GLN HA 1 5 LEU QD 4.600 . 6.000 5.737 5.325 5.996 . 0 0 "[ . 1 . ]" 1
736 1 75 VAL HA 1 76 PRO HB2 5.400 . 6.000 5.235 4.927 5.605 . 0 0 "[ . 1 . ]" 1
737 1 75 VAL HA 1 76 PRO HG3 3.400 . 4.900 4.503 4.423 4.585 . 0 0 "[ . 1 . ]" 1
738 1 63 PHE HB3 1 75 VAL HA 5.000 . 6.000 5.718 5.297 6.023 0.023 16 0 "[ . 1 . ]" 1
739 1 77 VAL HA 1 80 PHE HB3 4.500 . 6.000 5.032 4.638 5.223 . 0 0 "[ . 1 . ]" 1
740 1 79 ALA HA 1 82 TYR HB2 3.800 . 5.600 2.840 2.653 3.172 . 0 0 "[ . 1 . ]" 1
741 1 76 PRO HA 1 77 VAL HA 4.500 . 6.000 4.388 4.375 4.401 . 0 0 "[ . 1 . ]" 1
742 1 81 SER HA 1 84 ASN HB3 4.200 . 6.000 4.040 2.873 4.420 . 0 0 "[ . 1 . ]" 1
743 1 37 PHE HA 1 40 ASP HB2 2.600 . 3.400 2.354 2.298 2.432 . 0 0 "[ . 1 . ]" 1
744 1 82 TYR HA 1 85 LEU HB3 4.000 . 5.500 4.789 3.256 4.989 . 0 0 "[ . 1 . ]" 1
745 1 72 PRO HA 1 72 PRO QD 2.700 . 3.600 3.442 3.405 3.479 . 0 0 "[ . 1 . ]" 1
746 1 84 ASN HB2 1 85 LEU HA 4.100 . 6.000 4.699 4.350 5.652 . 0 0 "[ . 1 . ]" 1
747 1 85 LEU HA 1 86 ILE HB 4.500 . 6.000 5.702 5.667 5.756 . 0 0 "[ . 1 . ]" 1
748 1 90 ILE HA 1 95 VAL MG1 3.500 . 5.000 4.434 3.396 4.934 . 0 0 "[ . 1 . ]" 1
749 1 91 ASP HB3 1 92 LYS HA 5.000 . 6.000 4.312 4.133 5.677 . 0 0 "[ . 1 . ]" 1
750 1 41 THR MG 1 76 PRO HG2 3.500 . 5.100 4.631 3.802 5.201 0.101 4 0 "[ . 1 . ]" 1
751 1 45 PHE QE 1 76 PRO HG2 4.500 . 6.500 6.048 4.920 6.590 0.090 17 0 "[ . 1 . ]" 1
752 1 6 SER HB2 1 7 GLN QB 5.100 . 6.000 3.999 3.782 4.279 . 0 0 "[ . 1 . ]" 1
753 1 6 SER HB3 1 7 GLN QB 5.200 . 6.000 5.470 5.261 5.681 . 0 0 "[ . 1 . ]" 1
754 1 10 ARG HA 1 10 ARG HD2 4.100 . 6.000 4.605 4.288 4.754 . 0 0 "[ . 1 . ]" 1
755 1 7 GLN HB3 1 8 HIS QB 3.500 . 5.000 4.627 3.976 5.227 0.227 4 0 "[ . 1 . ]" 1
756 1 6 SER HA 1 7 GLN QB 3.500 . 5.000 4.599 4.376 4.804 . 0 0 "[ . 1 . ]" 1
757 1 8 HIS HA 1 9 GLU HA 4.000 . 6.000 4.801 4.772 4.826 . 0 0 "[ . 1 . ]" 1
758 1 9 GLU QB 1 10 ARG QB 3.400 . 4.800 4.440 4.379 4.476 . 0 0 "[ . 1 . ]" 1
759 1 5 LEU MD2 1 9 GLU QB 2.600 . 3.500 2.406 2.112 2.926 . 0 0 "[ . 1 . ]" 1
760 1 9 GLU QB 1 10 ARG HD2 4.500 . 6.000 5.473 5.297 6.098 0.098 12 0 "[ . 1 . ]" 1
761 1 8 HIS HB2 1 9 GLU QG 3.400 . 4.800 4.495 3.174 4.889 0.089 13 0 "[ . 1 . ]" 1
762 1 9 GLU HA 1 12 VAL MG2 5.200 . 6.000 2.220 2.070 2.354 . 0 0 "[ . 1 . ]" 1
763 1 11 TYR HA 1 12 VAL MG2 4.100 . 6.000 4.888 4.793 4.995 . 0 0 "[ . 1 . ]" 1
764 1 11 TYR HA 1 14 GLN HB3 3.500 . 5.000 3.249 2.930 3.590 . 0 0 "[ . 1 . ]" 1
765 1 10 ARG HB2 1 11 TYR HA 3.500 . 5.000 4.451 4.397 4.533 . 0 0 "[ . 1 . ]" 1
766 1 13 GLU HA 1 15 LEU HB3 3.800 . 5.600 5.085 4.994 5.193 . 0 0 "[ . 1 . ]" 1
767 1 13 GLU QB 1 14 GLN HA 3.500 . 5.000 4.140 4.102 4.174 . 0 0 "[ . 1 . ]" 1
768 1 13 GLU QG 1 14 GLN QG 4.200 . 6.000 5.454 5.205 5.857 . 0 0 "[ . 1 . ]" 1
769 1 72 PRO HA 1 72 PRO HB3 2.400 . 3.100 2.280 2.268 2.290 . 0 0 "[ . 1 . ]" 1
770 1 16 LYS QD 1 28 TYR HA 3.500 . 5.000 2.892 2.448 3.271 . 0 0 "[ . 1 . ]" 1
771 1 17 GLN QB 1 18 ALA HA 2.900 . 3.900 3.906 3.887 3.925 0.025 17 0 "[ . 1 . ]" 1
772 1 18 ALA MB 1 22 ARG HA 4.500 . 6.500 6.516 6.294 6.584 0.084 13 0 "[ . 1 . ]" 1
773 1 19 LEU HB3 1 19 LEU MD1 2.800 . 3.800 2.529 2.337 3.189 . 0 0 "[ . 1 . ]" 1
774 1 19 LEU HB3 1 24 VAL HB 3.500 . 5.000 2.614 2.278 3.902 . 0 0 "[ . 1 . ]" 1
775 1 19 LEU MD1 1 20 LYS HA 3.900 . 5.800 5.720 4.986 5.876 0.076 14 0 "[ . 1 . ]" 1
776 1 23 GLY HA3 1 24 VAL MG1 4.300 . 6.000 6.001 5.983 6.032 0.032 9 0 "[ . 1 . ]" 1
777 1 23 GLY HA2 1 24 VAL MG2 4.400 . 6.000 4.480 4.380 4.602 . 0 0 "[ . 1 . ]" 1
778 1 26 VAL MG2 1 27 LYS HA 3.500 . 5.000 4.467 4.233 5.633 0.633 2 2 "[ +- . 1 . ]" 1
779 1 10 ARG QB 1 11 TYR QB 3.500 . 5.000 4.027 3.982 4.071 . 0 0 "[ . 1 . ]" 1
780 1 8 HIS HA 1 11 TYR HB2 3.500 . 5.000 3.525 3.366 3.799 . 0 0 "[ . 1 . ]" 1
781 1 27 LYS QB 1 29 ALA HA 3.600 . 5.300 4.912 4.813 4.994 . 0 0 "[ . 1 . ]" 1
782 1 30 ASP QB 1 33 LYS QB 4.700 . 6.000 4.304 4.068 4.573 . 0 0 "[ . 1 . ]" 1
783 1 26 VAL MG2 1 30 ASP QB 2.900 . 3.900 3.330 2.714 4.002 0.102 3 0 "[ . 1 . ]" 1
784 1 16 LYS HB3 1 31 LEU MD1 4.500 . 6.000 4.958 3.398 5.504 . 0 0 "[ . 1 . ]" 1
785 1 31 LEU MD1 1 32 LEU HG 4.800 . 6.000 5.587 4.913 5.674 . 0 0 "[ . 1 . ]" 1
786 1 95 VAL MG1 1 97 PRO QG 3.000 . 4.500 2.593 2.258 4.179 . 0 0 "[ . 1 . ]" 1
787 1 35 PHE HA 1 38 VAL MG1 3.500 . 5.000 4.226 3.962 4.514 . 0 0 "[ . 1 . ]" 1
788 1 36 ASP HA 1 39 LYS QB 3.600 . 5.200 2.823 2.656 3.017 . 0 0 "[ . 1 . ]" 1
789 1 40 ASP HB3 1 41 THR MG 4.500 . 6.000 5.990 5.791 6.179 0.179 7 0 "[ . 1 . ]" 1
790 1 40 ASP HB2 1 41 THR HA 4.500 . 6.000 4.412 4.282 4.605 . 0 0 "[ . 1 . ]" 1
791 1 74 LYS HB3 1 75 VAL MG2 3.500 . 5.000 3.631 3.111 4.029 . 0 0 "[ . 1 . ]" 1
792 1 75 VAL MG2 1 79 ALA MB 4.500 . 6.500 4.152 3.873 4.472 . 0 0 "[ . 1 . ]" 1
793 1 41 THR MG 1 45 PHE HA 4.500 . 6.000 6.075 5.511 6.450 0.450 15 0 "[ . 1 . ]" 1
794 1 41 THR MG 1 42 CYS HB3 4.000 . 5.500 4.635 3.865 5.284 . 0 0 "[ . 1 . ]" 1
795 1 40 ASP HB2 1 41 THR MG 4.500 . 6.000 5.681 5.529 5.933 . 0 0 "[ . 1 . ]" 1
796 1 41 THR MG 1 75 VAL HB 4.500 . 6.000 4.397 4.047 4.555 . 0 0 "[ . 1 . ]" 1
797 1 41 THR MG 1 75 VAL MG1 4.500 . 6.000 2.857 2.519 3.510 . 0 0 "[ . 1 . ]" 1
798 1 41 THR MG 1 63 PHE QE 4.500 . 6.500 2.964 2.268 3.619 . 0 0 "[ . 1 . ]" 1
799 1 41 THR MG 1 45 PHE QE 4.500 . 6.500 4.357 2.680 5.514 . 0 0 "[ . 1 . ]" 1
800 1 41 THR MG 1 63 PHE QD 4.500 . 6.500 4.560 4.016 4.919 . 0 0 "[ . 1 . ]" 1
801 1 38 VAL HA 1 41 THR MG 4.500 . 6.000 4.257 3.976 4.985 . 0 0 "[ . 1 . ]" 1
802 1 75 VAL MG2 1 76 PRO HD3 4.000 . 5.500 4.308 4.214 4.406 . 0 0 "[ . 1 . ]" 1
803 1 45 PHE HB3 1 46 PRO HD3 3.500 . 4.500 3.056 2.199 4.697 0.197 3 0 "[ . 1 . ]" 1
804 1 45 PHE HB3 1 46 PRO HA 4.500 . 6.000 4.239 3.837 6.028 0.028 3 0 "[ . 1 . ]" 1
805 1 41 THR MG 1 42 CYS HA 4.500 . 6.000 3.914 3.731 4.175 . 0 0 "[ . 1 . ]" 1
806 1 50 THR HA 1 51 ILE MG 5.000 . 6.000 4.635 4.347 5.366 . 0 0 "[ . 1 . ]" 1
807 1 50 THR HA 1 50 THR MG 2.100 . 2.700 2.334 2.247 2.462 . 0 0 "[ . 1 . ]" 1
808 1 50 THR MG 1 52 ASP HA 3.500 . 5.000 4.126 3.769 4.652 . 0 0 "[ . 1 . ]" 1
809 1 52 ASP HA 1 90 ILE HB 4.000 . 5.500 5.184 4.299 5.583 0.083 18 0 "[ . 1 . ]" 1
810 1 51 ILE HA 1 52 ASP HA 3.900 . 5.800 4.424 4.413 4.444 . 0 0 "[ . 1 . ]" 1
811 1 50 THR MG 1 51 ILE HA 4.500 . 6.000 3.763 3.445 4.056 . 0 0 "[ . 1 . ]" 1
812 1 53 ILE MG 1 54 LYS HB3 4.500 . 6.000 5.700 5.247 5.937 . 0 0 "[ . 1 . ]" 1
813 1 56 TRP HA 1 58 ARG QB 3.500 . 5.000 5.029 4.919 5.204 0.204 12 0 "[ . 1 . ]" 1
814 1 54 LYS HB3 1 55 PHE HA 4.500 . 6.000 4.388 4.290 4.505 . 0 0 "[ . 1 . ]" 1
815 1 51 ILE MD 1 55 PHE HA 3.500 2.800 5.000 4.923 4.619 5.296 0.296 14 0 "[ . 1 . ]" 1
816 1 56 TRP HB3 1 90 ILE MD 4.500 . 6.000 5.123 4.595 5.547 . 0 0 "[ . 1 . ]" 1
817 1 53 ILE MG 1 56 TRP QB 3.500 . 5.000 2.757 2.472 3.061 . 0 0 "[ . 1 . ]" 1
818 1 56 TRP HB2 1 90 ILE MD 3.300 . 4.600 4.393 3.735 4.677 0.077 5 0 "[ . 1 . ]" 1
819 1 55 PHE HA 1 56 TRP HB2 5.000 . 6.000 5.981 5.914 6.030 0.030 10 0 "[ . 1 . ]" 1
820 1 56 TRP HA 1 57 ARG HD3 4.500 . 6.000 5.972 5.465 6.295 0.295 8 0 "[ . 1 . ]" 1
821 1 59 VAL MG2 1 62 CYS HB2 4.900 . 6.000 4.189 4.026 4.357 . 0 0 "[ . 1 . ]" 1
822 1 63 PHE HA 1 75 VAL MG1 3.400 . 4.900 2.710 2.412 3.105 . 0 0 "[ . 1 . ]" 1
823 1 67 TYR HB3 1 75 VAL HB 4.500 . 6.000 5.761 5.301 5.970 . 0 0 "[ . 1 . ]" 1
824 1 67 TYR HB2 1 75 VAL HB 3.500 . 5.000 4.465 4.113 4.732 . 0 0 "[ . 1 . ]" 1
825 1 67 TYR HB3 1 75 VAL MG1 4.500 . 6.000 5.504 5.183 5.959 . 0 0 "[ . 1 . ]" 1
826 1 70 PHE HA 1 74 LYS HG2 4.600 . 6.000 5.109 4.942 5.241 . 0 0 "[ . 1 . ]" 1
827 1 70 PHE HB2 1 74 LYS HB3 3.500 . 5.000 4.182 4.040 4.920 . 0 0 "[ . 1 . ]" 1
828 1 70 PHE HB3 1 74 LYS QG 4.500 . 6.000 2.439 2.257 2.498 . 0 0 "[ . 1 . ]" 1
829 1 73 GLU QB 1 74 LYS HG2 3.000 . 4.500 3.080 3.001 3.174 . 0 0 "[ . 1 . ]" 1
830 1 71 GLY HA2 1 73 GLU QG 4.500 . 6.000 5.686 5.452 5.826 . 0 0 "[ . 1 . ]" 1
831 1 70 PHE HB3 1 74 LYS HB3 3.500 . 5.000 5.098 5.035 5.180 0.180 11 0 "[ . 1 . ]" 1
832 1 66 TYR HB2 1 75 VAL MG1 3.500 . 5.000 2.976 2.612 3.380 . 0 0 "[ . 1 . ]" 1
833 1 67 TYR HA 1 75 VAL MG1 3.500 . 5.000 4.734 4.370 5.013 0.013 13 0 "[ . 1 . ]" 1
834 1 76 PRO HA 1 77 VAL HB 4.700 . 6.000 5.430 4.725 6.065 0.065 1 0 "[ . 1 . ]" 1
835 1 75 VAL HA 1 78 THR MG 4.500 . 6.000 5.719 4.219 6.202 0.202 7 0 "[ . 1 . ]" 1
836 1 76 PRO HD3 1 78 THR MG 4.400 . 6.000 4.882 3.790 5.393 . 0 0 "[ . 1 . ]" 1
837 1 76 PRO HB2 1 78 THR MG 3.100 . 4.300 2.424 2.177 3.704 . 0 0 "[ . 1 . ]" 1
838 1 79 ALA HA 1 82 TYR HB3 4.400 . 6.000 4.309 3.204 4.815 . 0 0 "[ . 1 . ]" 1
839 1 76 PRO HD2 1 79 ALA MB 4.000 . 5.500 3.612 2.779 4.147 . 0 0 "[ . 1 . ]" 1
840 1 76 PRO HD3 1 79 ALA MB 4.000 . 5.500 4.859 4.149 5.364 . 0 0 "[ . 1 . ]" 1
841 1 79 ALA MB 1 80 PHE HA 5.000 . 6.000 3.788 3.689 3.854 . 0 0 "[ . 1 . ]" 1
842 1 78 THR MG 1 81 SER QB 5.000 . 6.000 4.324 4.068 4.554 . 0 0 "[ . 1 . ]" 1
843 1 79 ALA MB 1 81 SER QB 4.500 . 6.000 5.517 5.315 5.674 . 0 0 "[ . 1 . ]" 1
844 1 83 TRP HA 1 86 ILE HB 3.500 . 5.000 2.411 2.290 2.652 . 0 0 "[ . 1 . ]" 1
845 1 87 LYS QG 1 88 GLU HA 4.500 . 6.000 4.100 3.560 5.805 . 0 0 "[ . 1 . ]" 1
846 1 53 ILE HB 1 54 LYS HA 3.300 . 4.600 4.324 4.197 4.584 . 0 0 "[ . 1 . ]" 1
847 1 86 ILE MG 1 90 ILE HG12 2.800 . 3.800 3.491 3.388 3.594 . 0 0 "[ . 1 . ]" 1
848 1 87 LYS HB3 1 91 ASP QB 4.600 . 6.000 4.826 3.899 5.165 . 0 0 "[ . 1 . ]" 1
849 1 87 LYS QG 1 91 ASP QB 3.500 . 5.000 3.699 2.681 5.556 0.556 11 1 "[ . 1+ . ]" 1
850 1 90 ILE HG13 1 91 ASP QB 3.500 . 5.000 3.700 3.023 3.931 . 0 0 "[ . 1 . ]" 1
851 1 87 LYS HB2 1 91 ASP QB 3.900 . 5.800 5.663 4.782 5.944 0.144 10 0 "[ . 1 . ]" 1
852 1 90 ILE HB 1 91 ASP QB 4.500 . 6.000 5.434 5.059 5.563 . 0 0 "[ . 1 . ]" 1
853 1 90 ILE HA 1 91 ASP QB 4.500 . 6.000 5.342 5.145 5.431 . 0 0 "[ . 1 . ]" 1
854 1 91 ASP HA 1 92 LYS QB 4.500 . 6.000 5.388 5.074 5.483 . 0 0 "[ . 1 . ]" 1
855 1 95 VAL MG1 1 97 PRO HB2 4.500 . 6.500 4.873 4.503 5.891 . 0 0 "[ . 1 . ]" 1
856 1 95 VAL HB 1 97 PRO QD 4.800 . 6.000 4.612 4.405 6.042 0.042 6 0 "[ . 1 . ]" 1
857 1 95 VAL HA 1 96 ASN HA 4.100 . 6.000 4.484 4.362 4.553 . 0 0 "[ . 1 . ]" 1
858 1 96 ASN HB2 1 97 PRO QD 3.100 . 4.300 4.194 4.047 4.260 . 0 0 "[ . 1 . ]" 1
859 1 28 TYR QB 1 30 ASP QB 4.500 . 6.000 5.658 5.532 5.753 . 0 0 "[ . 1 . ]" 1
860 1 95 VAL MG1 1 97 PRO HA 3.000 . 4.500 4.300 3.415 4.664 0.164 4 0 "[ . 1 . ]" 1
861 1 66 TYR HA 1 74 LYS QE 5.600 . 6.000 5.995 5.307 6.106 0.106 7 0 "[ . 1 . ]" 1
862 1 84 ASN HA 1 87 LYS HB3 3.600 . 5.200 3.263 2.879 4.352 . 0 0 "[ . 1 . ]" 1
863 1 24 VAL MG1 1 26 VAL HA 3.300 . 4.600 4.607 4.419 4.690 0.090 8 0 "[ . 1 . ]" 1
864 1 31 LEU HA 1 31 LEU MD2 3.200 . 4.500 2.237 2.073 2.275 . 0 0 "[ . 1 . ]" 1
865 1 38 VAL MG1 1 59 VAL MG2 4.500 . 6.500 6.552 6.182 6.686 0.186 7 0 "[ . 1 . ]" 1
866 1 5 LEU HA 1 5 LEU MD2 3.000 . 4.100 2.128 2.103 2.185 . 0 0 "[ . 1 . ]" 1
867 1 1 MET HA 1 32 LEU HG 3.500 . 5.100 5.070 4.907 5.161 0.061 4 0 "[ . 1 . ]" 1
868 1 3 GLN HB3 1 4 GLU HA 3.500 . 5.000 4.920 4.818 5.095 0.095 17 0 "[ . 1 . ]" 1
869 1 2 GLY HA2 1 3 GLN HB2 4.500 . 6.000 5.568 5.227 5.704 . 0 0 "[ . 1 . ]" 1
870 1 8 HIS HA 1 9 GLU QB 4.500 . 6.000 5.455 5.385 5.473 . 0 0 "[ . 1 . ]" 1
871 1 7 GLN HA 1 10 ARG H 3.700 . 5.400 3.559 3.448 3.649 . 0 0 "[ . 1 . ]" 1
872 1 8 HIS HA 1 11 TYR H 3.900 . 5.800 3.446 3.366 3.512 . 0 0 "[ . 1 . ]" 1
873 1 11 TYR HA 1 14 GLN H 4.900 . 6.000 3.558 3.419 3.724 . 0 0 "[ . 1 . ]" 1
874 1 11 TYR HA 1 13 GLU H 5.000 . 6.000 4.403 4.192 4.528 . 0 0 "[ . 1 . ]" 1
875 1 12 VAL HA 1 13 GLU H 4.700 . 6.000 3.546 3.497 3.574 . 0 0 "[ . 1 . ]" 1
876 1 11 TYR QD 1 12 VAL HA 3.400 . 4.900 3.351 3.022 3.582 . 0 0 "[ . 1 . ]" 1
877 1 13 GLU HA 1 16 LYS H 4.300 . 6.000 3.465 3.400 3.575 . 0 0 "[ . 1 . ]" 1
878 1 14 GLN HA 1 17 GLN H 3.800 . 5.600 3.361 3.320 3.399 . 0 0 "[ . 1 . ]" 1
879 1 88 GLU HA 1 91 ASP H 3.600 . 5.200 3.545 3.314 3.838 . 0 0 "[ . 1 . ]" 1
880 1 88 GLU HA 1 91 ASP HB3 4.000 . 5.500 3.542 2.322 4.069 . 0 0 "[ . 1 . ]" 1
881 1 14 GLN H 1 15 LEU HA 5.000 . 6.000 5.277 5.242 5.323 . 0 0 "[ . 1 . ]" 1
882 1 15 LEU HA 1 18 ALA H 3.800 . 5.600 3.516 3.404 3.646 . 0 0 "[ . 1 . ]" 1
883 1 16 LYS HA 1 19 LEU H 3.200 . 4.500 3.243 3.138 3.319 . 0 0 "[ . 1 . ]" 1
884 1 17 GLN HA 1 18 ALA H 3.700 . 5.400 3.569 3.562 3.577 . 0 0 "[ . 1 . ]" 1
885 1 18 ALA HA 1 21 THR H 3.700 . 5.400 3.445 3.330 3.557 . 0 0 "[ . 1 . ]" 1
886 1 18 ALA HA 1 19 LEU H 3.200 . 4.500 3.551 3.538 3.570 . 0 0 "[ . 1 . ]" 1
887 1 19 LEU HA 1 20 LYS H 4.000 . 6.000 3.546 3.530 3.555 . 0 0 "[ . 1 . ]" 1
888 1 20 LYS H 1 20 LYS QB 2.900 . 4.000 2.323 2.266 2.421 . 0 0 "[ . 1 . ]" 1
889 1 17 GLN HA 1 20 LYS H 3.600 . 5.200 3.479 3.385 3.654 . 0 0 "[ . 1 . ]" 1
890 1 21 THR HA 1 23 GLY H 3.400 . 4.900 3.769 3.454 3.908 . 0 0 "[ . 1 . ]" 1
891 1 22 ARG H 1 22 ARG HA 2.300 . 3.000 2.902 2.881 2.959 . 0 0 "[ . 1 . ]" 1
892 1 28 TYR H 1 28 TYR HA 2.300 . 3.000 2.855 2.832 2.871 . 0 0 "[ . 1 . ]" 1
893 1 29 ALA HA 1 32 LEU H 4.100 . 6.000 3.348 3.276 3.445 . 0 0 "[ . 1 . ]" 1
894 1 29 ALA HA 1 30 ASP H 3.800 . 5.600 3.527 3.512 3.534 . 0 0 "[ . 1 . ]" 1
895 1 27 LYS H 1 30 ASP HA 5.000 . 6.000 5.792 5.501 5.948 . 0 0 "[ . 1 . ]" 1
896 1 31 LEU HA 1 34 PHE H 4.600 . 6.000 3.423 3.270 3.529 . 0 0 "[ . 1 . ]" 1
897 1 30 ASP H 1 31 LEU HA 4.500 . 6.000 5.361 5.316 5.428 . 0 0 "[ . 1 . ]" 1
898 1 32 LEU HA 1 35 PHE H 5.000 . 6.000 3.652 3.578 3.762 . 0 0 "[ . 1 . ]" 1
899 1 31 LEU H 1 32 LEU HA 4.300 . 6.000 5.377 5.361 5.394 . 0 0 "[ . 1 . ]" 1
900 1 33 LYS HA 1 36 ASP H 3.600 . 5.200 3.368 3.265 3.471 . 0 0 "[ . 1 . ]" 1
901 1 37 PHE HA 1 40 ASP H 3.000 . 4.100 3.363 3.169 3.465 . 0 0 "[ . 1 . ]" 1
902 1 81 SER HA 1 84 ASN H 4.600 . 6.000 3.478 3.395 3.562 . 0 0 "[ . 1 . ]" 1
903 1 38 VAL HA 1 39 LYS H 4.000 . 6.000 3.575 3.554 3.584 . 0 0 "[ . 1 . ]" 1
904 1 38 VAL HA 1 41 THR H 4.800 . 6.000 3.515 3.408 3.882 . 0 0 "[ . 1 . ]" 1
905 1 38 VAL HA 1 63 PHE QD 4.500 . 6.500 5.688 4.789 6.166 . 0 0 "[ . 1 . ]" 1
906 1 40 ASP H 1 41 THR HA 4.300 . 6.000 5.082 4.956 5.148 . 0 0 "[ . 1 . ]" 1
907 1 41 THR H 1 42 CYS HA 4.000 . 6.000 5.460 5.392 5.539 . 0 0 "[ . 1 . ]" 1
908 1 42 CYS HA 1 43 PRO HD2 4.000 . 5.500 3.832 3.705 3.980 . 0 0 "[ . 1 . ]" 1
909 1 44 TRP HA 1 45 PHE H 3.400 . 4.800 2.736 2.190 3.284 . 0 0 "[ . 1 . ]" 1
910 1 50 THR HA 1 51 ILE H 3.200 . 4.500 2.233 2.181 2.276 . 0 0 "[ . 1 . ]" 1
911 1 52 ASP HA 1 53 ILE H 2.100 . 2.600 2.225 2.200 2.241 . 0 0 "[ . 1 . ]" 1
912 1 53 ILE H 1 54 LYS HA 4.500 . 6.000 5.263 5.166 5.415 . 0 0 "[ . 1 . ]" 1
913 1 54 LYS HA 1 55 PHE H 3.200 . 4.500 3.550 3.524 3.568 . 0 0 "[ . 1 . ]" 1
914 1 54 LYS H 1 55 PHE HA 4.200 . 6.000 5.343 5.286 5.425 . 0 0 "[ . 1 . ]" 1
915 1 56 TRP HD1 1 57 ARG HA 4.500 . 6.000 4.910 4.646 5.121 . 0 0 "[ . 1 . ]" 1
916 1 58 ARG HA 1 61 ASP H 3.400 . 4.900 3.583 3.474 3.725 . 0 0 "[ . 1 . ]" 1
917 1 59 VAL HA 1 60 GLY H 3.700 . 5.400 3.565 3.559 3.575 . 0 0 "[ . 1 . ]" 1
918 1 60 GLY HA2 1 61 ASP H 2.800 . 3.800 3.577 3.569 3.583 . 0 0 "[ . 1 . ]" 1
919 1 62 CYS HA 1 63 PHE H 3.600 . 5.300 3.580 3.563 3.588 . 0 0 "[ . 1 . ]" 1
920 1 64 GLN HA 1 67 TYR H 4.200 . 6.000 3.346 3.259 3.474 . 0 0 "[ . 1 . ]" 1
921 1 65 ASP HA 1 68 ASN H 4.600 . 6.000 3.775 3.686 3.942 . 0 0 "[ . 1 . ]" 1
922 1 68 ASN HA 1 69 THR H 4.600 . 6.000 3.533 3.512 3.549 . 0 0 "[ . 1 . ]" 1
923 1 71 GLY HA2 1 73 GLU H 3.400 . 4.900 4.392 4.336 4.454 . 0 0 "[ . 1 . ]" 1
924 1 70 PHE H 1 71 GLY HA3 5.400 . 6.000 4.833 4.728 4.917 . 0 0 "[ . 1 . ]" 1
925 1 74 LYS H 1 74 LYS HA 2.200 . 2.800 2.866 2.850 2.879 0.079 4 0 "[ . 1 . ]" 1
926 1 74 LYS HA 1 75 VAL H 2.900 . 3.900 3.551 3.522 3.569 . 0 0 "[ . 1 . ]" 1
927 1 75 VAL H 1 76 PRO HA 3.500 . 5.100 4.375 4.328 4.447 . 0 0 "[ . 1 . ]" 1
928 1 77 VAL HA 1 78 THR H 2.900 . 4.000 3.399 3.336 3.474 . 0 0 "[ . 1 . ]" 1
929 1 77 VAL HA 1 80 PHE QD 3.900 . 5.800 2.326 2.287 2.362 . 0 0 "[ . 1 . ]" 1
930 1 79 ALA HA 1 80 PHE H 5.000 . 6.000 3.564 3.542 3.578 . 0 0 "[ . 1 . ]" 1
931 1 80 PHE HA 1 81 SER H 2.800 . 3.800 3.562 3.544 3.578 . 0 0 "[ . 1 . ]" 1
932 1 82 TYR HA 1 85 LEU H 2.700 . 3.600 3.549 3.452 3.622 0.022 7 0 "[ . 1 . ]" 1
933 1 82 TYR HA 1 86 ILE H 4.000 . 5.500 4.571 4.433 4.656 . 0 0 "[ . 1 . ]" 1
934 1 83 TRP HA 1 83 TRP HD1 3.700 . 5.400 3.796 3.738 3.844 . 0 0 "[ . 1 . ]" 1
935 1 87 LYS HA 1 90 ILE H 3.500 . 5.100 3.713 3.576 3.798 . 0 0 "[ . 1 . ]" 1
936 1 89 LEU HA 1 90 ILE H 5.500 . 6.000 3.569 3.557 3.581 . 0 0 "[ . 1 . ]" 1
937 1 90 ILE H 1 90 ILE HA 2.400 . 3.100 2.902 2.888 2.945 . 0 0 "[ . 1 . ]" 1
938 1 93 LYS HA 1 94 GLU H 2.500 . 3.000 2.218 2.190 2.285 . 0 0 "[ . 1 . ]" 1
939 1 96 ASN HA 1 97 PRO HA 4.500 . 6.000 4.623 4.519 4.656 . 0 0 "[ . 1 . ]" 1
940 1 1 MET HA 1 2 GLY H 3.300 . 4.700 2.949 2.262 3.438 . 0 0 "[ . 1 . ]" 1
941 1 1 MET HA 1 28 TYR QD 3.500 . 5.000 4.143 2.995 5.107 0.107 11 0 "[ . 1 . ]" 1
942 1 6 SER H 1 6 SER HB2 3.300 . 4.600 3.621 3.606 3.642 . 0 0 "[ . 1 . ]" 1
943 1 7 GLN H 1 7 GLN QB 2.900 . 4.000 2.369 2.264 2.495 . 0 0 "[ . 1 . ]" 1
944 1 8 HIS H 1 8 HIS HB3 3.100 . 4.300 2.772 2.530 3.566 . 0 0 "[ . 1 . ]" 1
945 1 8 HIS HB3 1 9 GLU H 3.900 . 5.800 2.807 2.404 3.925 . 0 0 "[ . 1 . ]" 1
946 1 8 HIS H 1 8 HIS HB2 2.700 . 3.600 2.646 2.549 2.953 . 0 0 "[ . 1 . ]" 1
947 1 8 HIS HB2 1 9 GLU H 2.900 . 4.000 3.544 2.546 3.872 . 0 0 "[ . 1 . ]" 1
948 1 8 HIS HD2 1 9 GLU QB 3.500 . 5.000 4.980 4.725 5.155 0.155 9 0 "[ . 1 . ]" 1
949 1 9 GLU QB 1 10 ARG H 3.300 . 4.600 2.644 2.568 2.751 . 0 0 "[ . 1 . ]" 1
950 1 10 ARG QB 1 11 TYR H 3.600 . 5.300 2.618 2.543 2.691 . 0 0 "[ . 1 . ]" 1
951 1 8 HIS H 1 10 ARG QB 3.500 . 5.000 4.899 4.748 5.005 0.005 5 0 "[ . 1 . ]" 1
952 1 66 TYR H 1 66 TYR HB3 3.400 . 4.800 3.597 3.576 3.607 . 0 0 "[ . 1 . ]" 1
953 1 66 TYR HB3 1 74 LYS HB3 3.500 . 5.000 3.014 2.492 3.144 . 0 0 "[ . 1 . ]" 1
954 1 12 VAL H 1 12 VAL HB 2.700 . 3.600 3.079 2.567 3.622 0.022 9 0 "[ . 1 . ]" 1
955 1 14 GLN HB2 1 17 GLN H 4.000 . 6.000 5.696 5.654 5.745 . 0 0 "[ . 1 . ]" 1
956 1 14 GLN H 1 15 LEU HB2 5.500 . 6.000 5.083 5.003 5.138 . 0 0 "[ . 1 . ]" 1
957 1 15 LEU H 1 15 LEU HB2 3.100 . 4.300 2.606 2.548 2.661 . 0 0 "[ . 1 . ]" 1
958 1 16 LYS HB3 1 19 LEU H 3.700 . 5.400 5.366 5.222 5.446 0.046 18 0 "[ . 1 . ]" 1
959 1 76 PRO HB3 1 77 VAL H 3.800 . 5.600 3.197 3.024 3.379 . 0 0 "[ . 1 . ]" 1
960 1 16 LYS HB2 1 19 LEU H 4.100 . 6.000 5.556 5.442 5.626 . 0 0 "[ . 1 . ]" 1
961 1 19 LEU HB2 1 20 LYS H 4.800 . 5.000 2.855 2.621 3.851 . 0 0 "[ . 1 . ]" 1
962 1 19 LEU H 1 19 LEU HB3 3.500 . 5.000 3.461 2.629 3.616 . 0 0 "[ . 1 . ]" 1
963 1 19 LEU HB3 1 20 LYS H 4.300 . 5.000 3.452 2.588 3.689 . 0 0 "[ . 1 . ]" 1
964 1 24 VAL H 1 24 VAL HB 2.700 . 3.600 2.548 2.517 2.590 . 0 0 "[ . 1 . ]" 1
965 1 25 LYS QB 1 26 VAL H 3.500 . 4.500 3.714 3.578 3.801 . 0 0 "[ . 1 . ]" 1
966 1 26 VAL HB 1 27 LYS H 3.600 . 5.200 2.714 2.488 4.160 . 0 0 "[ . 1 . ]" 1
967 1 26 VAL H 1 26 VAL HB 3.900 . 5.800 3.709 2.644 3.864 . 0 0 "[ . 1 . ]" 1
968 1 53 ILE HB 1 54 LYS H 3.700 . 5.400 2.905 2.601 3.163 . 0 0 "[ . 1 . ]" 1
969 1 53 ILE HB 1 55 PHE H 4.500 . 6.000 5.241 5.040 5.447 . 0 0 "[ . 1 . ]" 1
970 1 90 ILE H 1 90 ILE HB 4.100 . 6.000 3.630 3.623 3.655 . 0 0 "[ . 1 . ]" 1
971 1 28 TYR H 1 28 TYR QB 2.400 . 3.100 2.351 2.275 2.502 . 0 0 "[ . 1 . ]" 1
972 1 30 ASP H 1 30 ASP QB 2.300 . 3.000 2.330 2.237 2.423 . 0 0 "[ . 1 . ]" 1
973 1 31 LEU HB3 1 32 LEU H 2.900 . 4.000 3.325 3.208 3.802 . 0 0 "[ . 1 . ]" 1
974 1 32 LEU HB3 1 33 LYS H 2.800 . 3.800 3.571 3.529 3.603 . 0 0 "[ . 1 . ]" 1
975 1 32 LEU HB2 1 33 LYS H 3.300 . 4.700 2.584 2.534 2.615 . 0 0 "[ . 1 . ]" 1
976 1 33 LYS H 1 33 LYS QB 2.000 . 2.500 2.395 2.344 2.423 . 0 0 "[ . 1 . ]" 1
977 1 36 ASP H 1 36 ASP HB3 3.000 . 4.500 3.469 2.610 3.611 . 0 0 "[ . 1 . ]" 1
978 1 36 ASP H 1 36 ASP HB2 2.300 . 3.000 2.327 2.252 2.506 . 0 0 "[ . 1 . ]" 1
979 1 36 ASP HB2 1 37 PHE H 3.000 . 4.100 2.826 2.566 3.891 . 0 0 "[ . 1 . ]" 1
980 1 37 PHE QB 1 40 ASP H 3.500 . 5.000 4.836 4.687 4.907 . 0 0 "[ . 1 . ]" 1
981 1 41 THR HB 1 42 CYS H 4.500 . 6.000 2.251 2.067 2.580 . 0 0 "[ . 1 . ]" 1
982 1 44 TRP HB2 1 45 PHE H 3.900 . 5.400 2.947 1.762 4.445 0.038 10 0 "[ . 1 . ]" 1
983 1 44 TRP HB2 1 46 PRO HD3 4.500 . 6.000 4.344 2.323 5.568 . 0 0 "[ . 1 . ]" 1
984 1 52 ASP H 1 52 ASP HB3 2.700 . 3.600 3.173 2.548 3.641 0.041 16 0 "[ . 1 . ]" 1
985 1 52 ASP HB3 1 53 ILE H 2.500 . 4.000 3.563 3.124 4.166 0.166 10 0 "[ . 1 . ]" 1
986 1 52 ASP HB3 1 56 TRP H 3.500 . 5.000 4.670 4.004 5.111 0.111 8 0 "[ . 1 . ]" 1
987 1 52 ASP HB2 1 55 PHE H 3.300 . 4.600 3.581 2.670 4.507 . 0 0 "[ . 1 . ]" 1
988 1 90 ILE HB 1 92 LYS H 4.500 . 6.000 5.741 5.065 5.960 . 0 0 "[ . 1 . ]" 1
989 1 56 TRP HB2 1 57 ARG H 4.000 . 5.500 4.027 3.955 4.084 . 0 0 "[ . 1 . ]" 1
990 1 56 TRP H 1 56 TRP HB2 3.400 . 4.800 2.716 2.661 2.789 . 0 0 "[ . 1 . ]" 1
991 1 9 GLU H 1 9 GLU QB 2.800 . 3.800 2.404 2.298 2.489 . 0 0 "[ . 1 . ]" 1
992 1 57 ARG QB 1 58 ARG H 2.500 . 4.000 2.540 2.441 2.668 . 0 0 "[ . 1 . ]" 1
993 1 57 ARG H 1 58 ARG QB 3.500 . 5.000 4.719 4.636 4.826 . 0 0 "[ . 1 . ]" 1
994 1 58 ARG H 1 58 ARG QB 2.100 . 2.700 2.384 2.331 2.528 . 0 0 "[ . 1 . ]" 1
995 1 59 VAL HB 1 60 GLY H 3.700 . 5.400 2.558 2.453 2.627 . 0 0 "[ . 1 . ]" 1
996 1 56 TRP HA 1 59 VAL HB 3.700 . 5.200 2.569 2.334 2.842 . 0 0 "[ . 1 . ]" 1
997 1 61 ASP H 1 61 ASP QB 2.200 . 2.800 2.235 2.218 2.278 . 0 0 "[ . 1 . ]" 1
998 1 61 ASP QB 1 62 CYS H 2.400 . 3.100 2.655 2.561 2.769 . 0 0 "[ . 1 . ]" 1
999 1 62 CYS HB2 1 63 PHE H 3.700 . 5.400 2.435 2.274 2.606 . 0 0 "[ . 1 . ]" 1
1000 1 62 CYS HB3 1 65 ASP H 4.500 . 6.000 5.335 5.168 5.409 . 0 0 "[ . 1 . ]" 1
1001 1 62 CYS HB2 1 65 ASP H 4.500 . 6.000 5.481 5.363 5.590 . 0 0 "[ . 1 . ]" 1
1002 1 63 PHE H 1 63 PHE HB3 3.000 . 4.100 3.517 3.483 3.542 . 0 0 "[ . 1 . ]" 1
1003 1 64 GLN H 1 64 GLN QB 2.100 . 2.700 2.273 2.255 2.277 . 0 0 "[ . 1 . ]" 1
1004 1 64 GLN QB 1 66 TYR H 4.000 . 5.500 4.867 4.783 4.965 . 0 0 "[ . 1 . ]" 1
1005 1 63 PHE H 1 64 GLN QB 5.200 . 6.000 4.486 4.426 4.532 . 0 0 "[ . 1 . ]" 1
1006 1 67 TYR QD 1 68 ASN HB2 3.500 . 5.000 3.750 2.657 4.656 . 0 0 "[ . 1 . ]" 1
1007 1 67 TYR H 1 67 TYR HB2 2.500 . 3.300 2.869 2.675 2.992 . 0 0 "[ . 1 . ]" 1
1008 1 68 ASN H 1 68 ASN HB2 2.300 . 2.900 2.400 2.306 2.658 . 0 0 "[ . 1 . ]" 1
1009 1 68 ASN HB2 1 69 THR H 3.000 . 4.100 3.095 2.722 4.009 . 0 0 "[ . 1 . ]" 1
1010 1 68 ASN H 1 69 THR HB 3.600 . 5.200 4.980 4.790 5.070 . 0 0 "[ . 1 . ]" 1
1011 1 70 PHE HB2 1 71 GLY H 3.000 . 4.100 2.444 2.366 3.185 . 0 0 "[ . 1 . ]" 1
1012 1 74 LYS HB2 1 75 VAL H 2.500 . 4.000 2.583 2.473 2.714 . 0 0 "[ . 1 . ]" 1
1013 1 74 LYS HB3 1 75 VAL H 3.800 . 5.600 3.625 3.522 3.733 . 0 0 "[ . 1 . ]" 1
1014 1 75 VAL H 1 75 VAL HB 2.900 . 4.000 3.874 3.782 3.944 . 0 0 "[ . 1 . ]" 1
1015 1 37 PHE QE 1 75 VAL HB 4.000 . 6.000 6.046 5.889 6.116 0.116 12 0 "[ . 1 . ]" 1
1016 1 63 PHE HB3 1 75 VAL HB 5.000 . 6.000 3.275 2.899 3.587 . 0 0 "[ . 1 . ]" 1
1017 1 76 PRO HB3 1 78 THR H 4.500 . 6.000 3.679 3.286 4.135 . 0 0 "[ . 1 . ]" 1
1018 1 78 THR HB 1 79 ALA H 3.700 . 5.400 3.842 3.682 3.989 . 0 0 "[ . 1 . ]" 1
1019 1 78 THR HB 1 82 TYR QD 4.300 . 6.000 3.617 2.552 5.058 . 0 0 "[ . 1 . ]" 1
1020 1 79 ALA H 1 79 ALA MB 2.700 . 3.600 2.196 2.047 2.254 . 0 0 "[ . 1 . ]" 1
1021 1 37 PHE QD 1 79 ALA MB 4.000 . 5.500 5.265 4.876 5.543 0.043 5 0 "[ . 1 . ]" 1
1022 1 78 THR H 1 79 ALA MB 4.500 . 6.000 4.333 4.220 4.386 . 0 0 "[ . 1 . ]" 1
1023 1 64 GLN H 1 79 ALA MB 4.500 . 6.500 6.535 6.389 6.611 0.111 7 0 "[ . 1 . ]" 1
1024 1 79 ALA MB 1 83 TRP H 3.400 . 4.900 4.544 4.317 4.797 . 0 0 "[ . 1 . ]" 1
1025 1 79 ALA MB 1 83 TRP HB2 4.500 . 6.000 4.223 3.872 4.568 . 0 0 "[ . 1 . ]" 1
1026 1 82 TYR HB2 1 83 TRP H 3.400 . 4.900 2.772 2.617 3.439 . 0 0 "[ . 1 . ]" 1
1027 1 83 TRP H 1 83 TRP HB3 3.300 . 4.600 2.922 2.870 2.970 . 0 0 "[ . 1 . ]" 1
1028 1 84 ASN H 1 84 ASN HB2 2.300 . 2.900 2.432 2.325 2.579 . 0 0 "[ . 1 . ]" 1
1029 1 84 ASN H 1 84 ASN HB3 3.500 . 4.500 3.429 2.526 3.620 . 0 0 "[ . 1 . ]" 1
1030 1 85 LEU HB3 1 89 LEU H 4.500 . 6.000 5.156 4.960 5.896 . 0 0 "[ . 1 . ]" 1
1031 1 85 LEU HB2 1 86 ILE H 3.900 . 5.800 2.690 2.576 3.822 . 0 0 "[ . 1 . ]" 1
1032 1 31 LEU HB2 1 32 LEU H 3.300 . 4.700 2.648 2.520 2.702 . 0 0 "[ . 1 . ]" 1
1033 1 86 ILE HB 1 89 LEU H 4.500 . 6.000 5.460 5.307 5.547 . 0 0 "[ . 1 . ]" 1
1034 1 89 LEU H 1 89 LEU HB2 2.300 . 2.900 2.322 2.114 2.629 . 0 0 "[ . 1 . ]" 1
1035 1 89 LEU HB2 1 90 ILE H 2.500 . 4.000 3.098 2.590 3.829 . 0 0 "[ . 1 . ]" 1
1036 1 89 LEU HB3 1 90 ILE H 3.800 . 5.600 2.887 2.381 3.400 . 0 0 "[ . 1 . ]" 1
1037 1 90 ILE HB 1 91 ASP H 3.100 . 4.300 3.747 3.655 4.065 . 0 0 "[ . 1 . ]" 1
1038 1 90 ILE H 1 91 ASP QB 4.100 . 6.000 4.411 4.218 4.686 . 0 0 "[ . 1 . ]" 1
1039 1 92 LYS H 1 92 LYS QB 2.100 . 2.600 2.345 2.267 2.402 . 0 0 "[ . 1 . ]" 1
1040 1 96 ASN H 1 96 ASN HB3 2.400 . 3.100 2.781 2.513 3.334 0.234 10 0 "[ . 1 . ]" 1
1041 1 99 VAL H 1 99 VAL HB 2.400 . 3.100 2.610 2.406 3.142 0.042 9 0 "[ . 1 . ]" 1
1042 1 7 GLN QG 1 10 ARG H 4.500 . 6.000 5.185 4.776 5.690 . 0 0 "[ . 1 . ]" 1
1043 1 7 GLN H 1 7 GLN QG 3.500 . 5.000 2.972 2.025 4.085 . 0 0 "[ . 1 . ]" 1
1044 1 17 GLN QG 1 28 TYR QD 4.500 . 6.000 6.042 5.914 6.147 0.147 7 0 "[ . 1 . ]" 1
1045 1 51 ILE MD 1 56 TRP HD1 4.500 . 6.000 5.045 4.410 5.639 . 0 0 "[ . 1 . ]" 1
1046 1 51 ILE MD 1 55 PHE QD 2.700 . 3.600 2.705 2.105 3.676 0.076 15 0 "[ . 1 . ]" 1
1047 1 90 ILE H 1 90 ILE MD 3.300 . 4.700 3.342 3.270 3.405 . 0 0 "[ . 1 . ]" 1
1048 1 53 ILE H 1 53 ILE MD 4.000 . 5.500 3.450 3.333 3.861 . 0 0 "[ . 1 . ]" 1
1049 1 53 ILE MD 1 90 ILE H 4.500 . 6.500 5.849 5.618 6.048 . 0 0 "[ . 1 . ]" 1
1050 1 69 THR MG 1 70 PHE H 3.600 . 5.200 3.503 3.319 3.688 . 0 0 "[ . 1 . ]" 1
1051 1 77 VAL H 1 77 VAL MG1 3.100 . 4.300 2.733 1.934 3.777 . 0 0 "[ . 1 . ]" 1
1052 1 38 VAL H 1 59 VAL MG2 4.500 . 6.000 5.932 5.573 6.088 0.088 5 0 "[ . 1 . ]" 1
1053 1 37 PHE QE 1 59 VAL MG2 3.500 . 5.000 4.812 4.247 5.097 0.097 6 0 "[ . 1 . ]" 1
1054 1 59 VAL MG2 1 63 PHE QD 4.500 . 6.000 4.563 4.268 4.996 . 0 0 "[ . 1 . ]" 1
1055 1 37 PHE H 1 38 VAL MG2 5.000 . 6.000 4.316 4.141 4.434 . 0 0 "[ . 1 . ]" 1
1056 1 37 PHE QD 1 38 VAL MG2 3.100 . 4.300 2.899 2.691 3.266 . 0 0 "[ . 1 . ]" 1
1057 1 38 VAL MG2 1 63 PHE QE 3.500 . 5.000 2.366 2.059 2.797 . 0 0 "[ . 1 . ]" 1
1058 1 38 VAL MG2 1 63 PHE QD 4.000 . 6.000 4.130 3.596 4.616 . 0 0 "[ . 1 . ]" 1
1059 1 12 VAL H 1 12 VAL MG2 2.500 . 3.300 1.904 1.751 2.143 . 0 0 "[ . 1 . ]" 1
1060 1 26 VAL H 1 26 VAL MG2 2.500 . 3.300 2.110 1.886 3.089 . 0 0 "[ . 1 . ]" 1
1061 1 73 GLU H 1 73 GLU QG 2.700 . 3.600 2.172 2.001 2.265 . 0 0 "[ . 1 . ]" 1
1062 1 40 ASP H 1 40 ASP HB3 3.600 . 5.200 3.596 3.549 3.616 . 0 0 "[ . 1 . ]" 1
1063 1 75 VAL H 1 75 VAL MG1 3.500 . 5.000 3.147 2.942 3.364 . 0 0 "[ . 1 . ]" 1
1064 1 37 PHE QE 1 75 VAL MG1 4.500 . 6.500 4.895 4.590 5.368 . 0 0 "[ . 1 . ]" 1
1065 1 78 THR H 1 78 THR MG 2.200 . 2.800 2.062 1.715 2.722 . 0 0 "[ . 1 . ]" 1
1066 1 19 LEU MD1 1 24 VAL H 4.500 . 6.500 6.145 5.116 6.514 0.014 14 0 "[ . 1 . ]" 1
1067 1 90 ILE H 1 90 ILE HG12 2.300 . 3.000 1.932 1.831 2.042 . 0 0 "[ . 1 . ]" 1
1068 1 90 ILE HG12 1 91 ASP H 4.600 . 6.000 2.132 1.990 2.553 0.010 8 0 "[ . 1 . ]" 1
1069 1 85 LEU H 1 85 LEU HG 3.400 . 4.800 2.358 2.121 4.392 . 0 0 "[ . 1 . ]" 1
1070 1 32 LEU HG 1 33 LYS H 3.900 . 5.800 4.327 4.261 4.372 . 0 0 "[ . 1 . ]" 1
1071 1 5 LEU H 1 5 LEU HG 2.200 . 2.800 2.641 2.191 2.824 0.024 10 0 "[ . 1 . ]" 1
1072 1 64 GLN QG 1 67 TYR QD 2.400 . 3.100 3.081 2.817 3.173 0.073 18 0 "[ . 1 . ]" 1
1073 1 14 GLN H 1 14 GLN QG 3.100 . 4.300 4.008 3.980 4.075 . 0 0 "[ . 1 . ]" 1
1074 1 88 GLU H 1 88 GLU HG3 2.500 . 3.300 2.360 2.166 3.487 0.187 18 0 "[ . 1 . ]" 1
1075 1 43 PRO QD 1 44 TRP H 4.500 . 6.000 3.188 2.833 3.310 . 0 0 "[ . 1 . ]" 1
1076 1 42 CYS H 1 43 PRO HD2 4.500 . 6.000 1.588 1.418 2.057 0.382 6 0 "[ . 1 . ]" 1
1077 1 42 CYS H 1 43 PRO HD3 4.500 . 6.000 2.774 2.102 3.323 . 0 0 "[ . 1 . ]" 1
1078 1 57 ARG H 1 57 ARG HD3 3.100 . 4.300 3.031 2.668 3.503 . 0 0 "[ . 1 . ]" 1
1079 1 57 ARG H 1 57 ARG HD2 3.000 . 4.200 3.810 2.411 4.274 0.074 6 0 "[ . 1 . ]" 1
1080 1 57 ARG HD3 1 58 ARG H 4.300 . 6.000 4.965 4.424 5.820 . 0 0 "[ . 1 . ]" 1
1081 1 58 ARG H 1 58 ARG HG3 2.700 . 3.600 2.564 2.254 3.477 . 0 0 "[ . 1 . ]" 1
1082 1 64 GLN H 1 64 GLN QG 2.900 . 3.900 3.984 3.973 4.076 0.176 12 0 "[ . 1 . ]" 1
1083 1 71 GLY H 1 72 PRO HD3 5.200 . 6.000 4.755 4.663 4.893 . 0 0 "[ . 1 . ]" 1
1084 1 72 PRO QD 1 74 LYS H 4.000 . 6.000 4.881 4.767 4.956 . 0 0 "[ . 1 . ]" 1
1085 1 11 TYR HA 1 11 TYR QD 2.400 . 3.100 2.643 2.517 2.833 . 0 0 "[ . 1 . ]" 1
1086 1 34 PHE HA 1 34 PHE QD 2.500 . 3.300 2.372 2.300 2.611 . 0 0 "[ . 1 . ]" 1
1087 1 34 PHE H 1 35 PHE HB2 3.500 . 5.000 4.847 4.753 4.981 . 0 0 "[ . 1 . ]" 1
1088 1 37 PHE QE 1 38 VAL MG1 4.500 . 6.000 5.866 5.598 6.077 0.077 17 0 "[ . 1 . ]" 1
1089 1 37 PHE HA 1 38 VAL MG2 4.500 . 6.000 4.987 4.897 5.070 . 0 0 "[ . 1 . ]" 1
1090 1 30 ASP H 1 31 LEU MD2 2.800 . 4.300 3.653 3.504 4.411 0.111 14 0 "[ . 1 . ]" 1
1091 1 31 LEU MD2 1 35 PHE QE 3.800 . 5.600 5.279 4.638 5.568 . 0 0 "[ . 1 . ]" 1
1092 1 50 THR MG 1 51 ILE H 2.100 . 2.600 2.364 2.109 2.747 0.147 2 0 "[ . 1 . ]" 1
1093 1 32 LEU H 1 32 LEU MD2 5.300 . 6.000 3.469 3.363 3.579 . 0 0 "[ . 1 . ]" 1
1094 1 74 LYS HA 1 74 LYS HD2 3.100 . 4.300 2.560 2.415 2.702 . 0 0 "[ . 1 . ]" 1
1095 1 74 LYS H 1 74 LYS HD2 4.800 . 6.000 4.388 4.231 4.501 . 0 0 "[ . 1 . ]" 1
1096 1 27 LYS H 1 27 LYS QG 2.400 . 3.100 2.304 2.177 2.400 . 0 0 "[ . 1 . ]" 1
1097 1 86 ILE HG13 1 87 LYS H 4.500 . 6.000 4.900 4.778 4.959 . 0 0 "[ . 1 . ]" 1
1098 1 92 LYS H 1 92 LYS QD 3.700 . 5.400 3.935 3.739 4.420 . 0 0 "[ . 1 . ]" 1
1099 1 53 ILE H 1 53 ILE QG 4.500 . 6.000 2.064 1.818 2.405 . 0 0 "[ . 1 . ]" 1
1100 1 86 ILE MG 1 90 ILE H 5.000 . 6.000 3.551 3.440 3.691 . 0 0 "[ . 1 . ]" 1
1101 1 55 PHE HA 1 58 ARG H 4.000 . 6.000 3.255 3.125 3.434 . 0 0 "[ . 1 . ]" 1
1102 1 60 GLY HA2 1 63 PHE H 5.700 . 6.000 3.755 3.622 3.854 . 0 0 "[ . 1 . ]" 1
1103 1 61 ASP HA 1 63 PHE H 5.200 . 6.000 4.768 4.521 4.901 . 0 0 "[ . 1 . ]" 1
1104 1 63 PHE HA 1 66 TYR H 2.800 . 3.800 3.429 3.353 3.548 . 0 0 "[ . 1 . ]" 1
1105 1 63 PHE HA 1 63 PHE QD 2.600 . 3.400 2.544 2.333 2.810 . 0 0 "[ . 1 . ]" 1
1106 1 63 PHE HA 1 63 PHE QE 5.000 . 6.000 4.266 4.181 4.362 . 0 0 "[ . 1 . ]" 1
1107 1 64 GLN HA 1 68 ASN H 5.000 . 6.000 4.147 3.925 4.376 . 0 0 "[ . 1 . ]" 1
1108 1 66 TYR HA 1 66 TYR QD 2.300 . 3.000 2.386 2.289 2.493 . 0 0 "[ . 1 . ]" 1
1109 1 67 TYR HA 1 75 VAL H 3.000 . 4.100 3.891 3.682 4.140 0.040 12 0 "[ . 1 . ]" 1
1110 1 67 TYR QD 1 68 ASN HA 5.300 . 6.000 3.543 3.203 3.771 . 0 0 "[ . 1 . ]" 1
1111 1 17 GLN H 1 17 GLN HA 2.200 . 2.800 2.831 2.810 2.845 0.045 6 0 "[ . 1 . ]" 1
1112 1 41 THR H 1 45 PHE HA 4.900 . 6.000 5.605 5.215 6.100 0.100 8 0 "[ . 1 . ]" 1
1113 1 80 PHE HA 1 80 PHE QE 5.100 . 6.000 4.549 4.488 4.591 . 0 0 "[ . 1 . ]" 1
1114 1 81 SER HA 1 82 TYR H 3.900 . 5.800 3.574 3.568 3.583 . 0 0 "[ . 1 . ]" 1
1115 1 84 ASN H 1 85 LEU HA 4.500 . 6.000 5.419 5.391 5.444 . 0 0 "[ . 1 . ]" 1
1116 1 9 GLU H 1 9 GLU HA 2.200 . 2.800 2.857 2.846 2.879 0.079 11 0 "[ . 1 . ]" 1
1117 1 9 GLU H 1 9 GLU QG 2.400 . 3.100 2.226 2.026 2.470 . 0 0 "[ . 1 . ]" 1
1118 1 9 GLU QG 1 10 ARG H 3.300 . 4.600 4.115 3.986 4.251 . 0 0 "[ . 1 . ]" 1
1119 1 10 ARG H 1 10 ARG QG 2.000 . 2.500 2.353 2.273 2.444 . 0 0 "[ . 1 . ]" 1
1120 1 7 GLN H 1 10 ARG QG 5.700 . 6.000 4.752 4.603 4.861 . 0 0 "[ . 1 . ]" 1
1121 1 55 PHE H 1 55 PHE HB2 3.000 . 4.100 2.534 2.321 2.816 . 0 0 "[ . 1 . ]" 1
1122 1 54 LYS H 1 55 PHE HB2 4.500 . 6.000 5.035 4.824 5.340 . 0 0 "[ . 1 . ]" 1
1123 1 12 VAL MG1 1 15 LEU H 4.500 . 6.500 4.711 4.281 5.120 . 0 0 "[ . 1 . ]" 1
1124 1 59 VAL MG1 1 63 PHE H 3.500 . 5.000 3.529 3.347 3.790 . 0 0 "[ . 1 . ]" 1
1125 1 10 ARG H 1 12 VAL MG2 3.000 . 4.500 4.347 3.942 4.643 0.143 5 0 "[ . 1 . ]" 1
1126 1 11 TYR H 1 13 GLU QB 4.000 . 5.500 4.866 4.561 5.148 . 0 0 "[ . 1 . ]" 1
1127 1 13 GLU H 1 13 GLU QG 4.500 . 6.000 3.984 3.975 4.074 . 0 0 "[ . 1 . ]" 1
1128 1 32 LEU MD1 1 33 LYS H 3.400 . 5.000 4.485 4.412 4.544 . 0 0 "[ . 1 . ]" 1
1129 1 32 LEU MD2 1 33 LYS H 4.500 . 6.500 4.651 4.618 4.695 . 0 0 "[ . 1 . ]" 1
1130 1 13 GLU QG 1 14 GLN H 3.100 . 4.300 3.584 3.466 3.738 . 0 0 "[ . 1 . ]" 1
1131 1 14 GLN HB3 1 15 LEU H 3.100 . 4.300 2.653 2.590 2.734 . 0 0 "[ . 1 . ]" 1
1132 1 14 GLN H 1 14 GLN HB3 2.500 . 3.500 2.586 2.527 2.633 . 0 0 "[ . 1 . ]" 1
1133 1 15 LEU MD1 1 31 LEU MD1 4.500 . 6.500 5.514 4.971 6.242 . 0 0 "[ . 1 . ]" 1
1134 1 15 LEU MD1 1 20 LYS H 4.100 . 6.000 6.066 5.992 6.153 0.153 9 0 "[ . 1 . ]" 1
1135 1 16 LYS H 1 16 LYS QG 3.300 . 4.700 3.977 3.962 3.980 . 0 0 "[ . 1 . ]" 1
1136 1 16 LYS QE 1 25 LYS H 5.000 . 6.000 6.132 6.053 6.301 0.301 2 0 "[ . 1 . ]" 1
1137 1 7 GLN QB 1 9 GLU H 4.500 . 6.000 4.763 4.656 4.877 . 0 0 "[ . 1 . ]" 1
1138 1 17 GLN H 1 17 GLN QG 2.700 . 3.600 2.138 1.985 2.291 . 0 0 "[ . 1 . ]" 1
1139 1 17 GLN QG 1 18 ALA H 3.300 . 4.600 4.041 3.948 4.110 . 0 0 "[ . 1 . ]" 1
1140 1 18 ALA HA 1 22 ARG H 4.500 . 6.000 4.658 4.446 4.983 . 0 0 "[ . 1 . ]" 1
1141 1 37 PHE QE 1 79 ALA HA 3.300 . 4.700 4.400 3.881 4.703 0.003 15 0 "[ . 1 . ]" 1
1142 1 27 LYS H 1 29 ALA MB 4.500 . 6.000 5.560 5.285 5.746 . 0 0 "[ . 1 . ]" 1
1143 1 29 ALA MB 1 30 ASP H 2.800 . 3.800 2.754 2.645 2.859 . 0 0 "[ . 1 . ]" 1
1144 1 19 LEU HA 1 24 VAL H 4.000 . 5.500 5.105 4.871 5.572 0.072 18 0 "[ . 1 . ]" 1
1145 1 19 LEU MD1 1 20 LYS H 4.200 . 5.500 4.562 4.422 4.699 . 0 0 "[ . 1 . ]" 1
1146 1 19 LEU H 1 20 LYS QB 3.600 . 5.200 4.502 4.394 4.657 . 0 0 "[ . 1 . ]" 1
1147 1 20 LYS QB 1 22 ARG H 5.000 . 6.000 4.592 4.400 4.782 . 0 0 "[ . 1 . ]" 1
1148 1 88 GLU H 1 88 GLU QB 2.200 . 2.800 2.403 2.370 2.479 . 0 0 "[ . 1 . ]" 1
1149 1 21 THR MG 1 22 ARG H 3.500 . 5.000 3.869 3.684 4.004 . 0 0 "[ . 1 . ]" 1
1150 1 19 LEU H 1 22 ARG QG 3.500 . 5.000 5.033 4.876 5.433 0.433 2 0 "[ . 1 . ]" 1
1151 1 22 ARG H 1 23 GLY HA2 3.600 . 5.300 4.956 4.865 5.007 . 0 0 "[ . 1 . ]" 1
1152 1 22 ARG H 1 23 GLY HA3 5.000 . 6.000 5.217 5.105 5.268 . 0 0 "[ . 1 . ]" 1
1153 1 95 VAL H 1 95 VAL MG1 2.100 . 2.700 2.049 1.924 2.296 . 0 0 "[ . 1 . ]" 1
1154 1 95 VAL MG1 1 96 ASN H 4.100 . 6.000 3.294 1.869 3.689 0.131 5 0 "[ . 1 . ]" 1
1155 1 24 VAL H 1 24 VAL MG2 3.300 . 4.700 2.985 2.876 3.044 . 0 0 "[ . 1 . ]" 1
1156 1 24 VAL H 1 25 LYS HG2 4.000 . 5.500 4.762 3.973 5.148 . 0 0 "[ . 1 . ]" 1
1157 1 25 LYS H 1 25 LYS HG2 3.500 . 5.000 3.881 2.513 4.182 . 0 0 "[ . 1 . ]" 1
1158 1 20 LYS H 1 24 VAL MG1 3.000 . 4.500 4.557 4.461 4.704 0.204 7 0 "[ . 1 . ]" 1
1159 1 31 LEU HA 1 35 PHE QE 4.400 . 6.000 4.427 4.072 4.668 . 0 0 "[ . 1 . ]" 1
1160 1 32 LEU H 1 32 LEU HG 2.300 . 2.900 2.224 2.147 2.312 . 0 0 "[ . 1 . ]" 1
1161 1 85 LEU MD2 1 89 LEU H 4.000 . 6.000 5.247 4.122 5.499 . 0 0 "[ . 1 . ]" 1
1162 1 34 PHE QD 1 38 VAL HA 4.500 . 6.000 5.935 5.609 6.090 0.090 15 0 "[ . 1 . ]" 1
1163 1 38 VAL HA 1 40 ASP H 3.500 . 5.000 4.254 4.096 4.442 . 0 0 "[ . 1 . ]" 1
1164 1 39 LYS H 1 39 LYS QB 2.500 . 3.100 2.362 2.198 2.428 . 0 0 "[ . 1 . ]" 1
1165 1 67 TYR H 1 75 VAL MG2 4.000 . 6.000 2.743 2.586 2.938 . 0 0 "[ . 1 . ]" 1
1166 1 67 TYR HA 1 75 VAL MG2 4.000 . 6.000 2.573 2.434 2.730 . 0 0 "[ . 1 . ]" 1
1167 1 63 PHE HB3 1 75 VAL MG2 4.000 . 6.000 3.106 2.827 3.331 . 0 0 "[ . 1 . ]" 1
1168 1 63 PHE HE1 1 75 VAL MG2 4.500 . 6.500 6.191 5.846 6.680 0.180 9 0 "[ . 1 . ]" 1
1169 1 41 THR MG 1 42 CYS H 4.300 . 6.000 3.438 3.248 3.738 . 0 0 "[ . 1 . ]" 1
1170 1 75 VAL H 1 75 VAL MG2 3.900 . 5.800 2.099 1.964 2.187 0.036 11 0 "[ . 1 . ]" 1
1171 1 43 PRO HA 1 44 TRP H 2.900 . 3.900 3.579 3.547 3.600 . 0 0 "[ . 1 . ]" 1
1172 1 39 LYS HA 1 43 PRO HA 5.000 . 6.000 6.125 5.973 7.493 1.493 3 1 "[ + . 1 . ]" 1
1173 1 43 PRO QG 1 44 TRP H 3.500 . 5.000 3.638 2.018 3.861 . 0 0 "[ . 1 . ]" 1
1174 1 43 PRO QB 1 45 PHE H 4.500 . 6.100 5.772 5.302 6.173 0.073 3 0 "[ . 1 . ]" 1
1175 1 41 THR H 1 43 PRO QD 4.500 . 6.000 3.505 3.104 3.717 . 0 0 "[ . 1 . ]" 1
1176 1 43 PRO QD 1 45 PHE QD 4.500 . 6.000 5.911 4.793 6.218 0.218 2 0 "[ . 1 . ]" 1
1177 1 47 GLN H 1 47 GLN QG 2.300 . 2.900 2.377 1.982 2.960 0.060 8 0 "[ . 1 . ]" 1
1178 1 51 ILE H 1 51 ILE MG 3.300 . 4.700 2.797 2.504 3.569 . 0 0 "[ . 1 . ]" 1
1179 1 51 ILE H 1 51 ILE MD 3.900 . 5.800 4.219 4.154 4.408 . 0 0 "[ . 1 . ]" 1
1180 1 51 ILE MD 1 55 PHE H 4.500 2.800 6.000 4.008 3.601 4.571 . 0 0 "[ . 1 . ]" 1
1181 1 56 TRP H 1 56 TRP HB3 2.500 . 3.300 2.412 2.346 2.471 . 0 0 "[ . 1 . ]" 1
1182 1 56 TRP HB3 1 57 ARG H 2.600 . 4.100 2.709 2.576 2.809 . 0 0 "[ . 1 . ]" 1
1183 1 57 ARG H 1 58 ARG HA 4.500 . 6.000 5.387 5.326 5.441 . 0 0 "[ . 1 . ]" 1
1184 1 72 PRO QG 1 73 GLU H 3.000 . 4.000 3.584 3.033 3.909 . 0 0 "[ . 1 . ]" 1
1185 1 74 LYS HG2 1 75 VAL H 3.100 . 4.300 4.254 4.163 4.343 0.043 6 0 "[ . 1 . ]" 1
1186 1 67 TYR H 1 75 VAL MG1 5.000 . 6.500 4.415 4.023 4.776 . 0 0 "[ . 1 . ]" 1
1187 1 76 PRO HG3 1 77 VAL H 3.400 . 4.900 4.859 4.650 4.966 0.066 12 0 "[ . 1 . ]" 1
1188 1 72 PRO HB3 1 76 PRO HG3 4.000 . 5.500 5.120 4.694 5.598 0.098 10 0 "[ . 1 . ]" 1
1189 1 76 PRO HD3 1 78 THR H 4.900 . 6.000 5.421 5.074 5.690 . 0 0 "[ . 1 . ]" 1
1190 1 77 VAL H 1 78 THR HA 4.500 . 5.500 5.245 5.109 5.329 . 0 0 "[ . 1 . ]" 1
1191 1 80 PHE H 1 80 PHE HB2 2.500 . 3.500 2.404 2.335 2.442 . 0 0 "[ . 1 . ]" 1
1192 1 80 PHE HB2 1 81 SER H 2.900 . 4.000 2.590 2.450 2.707 . 0 0 "[ . 1 . ]" 1
1193 1 80 PHE HB2 1 83 TRP H 4.500 . 6.000 5.550 5.441 5.659 . 0 0 "[ . 1 . ]" 1
1194 1 85 LEU HA 1 89 LEU H 3.500 . 5.000 4.385 4.112 4.590 . 0 0 "[ . 1 . ]" 1
1195 1 85 LEU HG 1 86 ILE H 5.000 . 6.000 4.340 4.219 4.415 . 0 0 "[ . 1 . ]" 1
1196 1 88 GLU QB 1 89 LEU H 3.500 . 5.000 2.641 2.541 2.911 . 0 0 "[ . 1 . ]" 1
1197 1 89 LEU H 1 89 LEU HG 3.200 . 4.500 4.067 2.481 4.469 . 0 0 "[ . 1 . ]" 1
1198 1 90 ILE HG13 1 91 ASP H 2.200 . 2.800 2.297 2.176 2.874 0.074 6 0 "[ . 1 . ]" 1
1199 1 88 GLU HG3 1 89 LEU H 5.500 . 6.000 4.382 4.264 4.869 . 0 0 "[ . 1 . ]" 1
1200 1 95 VAL HA 1 96 ASN H 2.500 . 3.000 2.483 2.311 3.015 0.015 5 0 "[ . 1 . ]" 1
1201 1 42 CYS H 1 42 CYS HB2 3.000 . 4.100 2.882 2.271 3.541 . 0 0 "[ . 1 . ]" 1
1202 1 65 ASP H 1 65 ASP HB3 3.400 . 4.800 3.417 2.480 3.613 . 0 0 "[ . 1 . ]" 1
1203 1 74 LYS H 1 74 LYS HE3 4.500 . 6.000 5.422 5.295 5.558 . 0 0 "[ . 1 . ]" 1
1204 1 97 PRO QD 1 100 MET H 3.500 . 5.000 5.012 4.695 5.155 0.155 16 0 "[ . 1 . ]" 1
1205 1 24 VAL H 1 24 VAL MG1 3.000 . 4.100 3.795 3.756 3.824 . 0 0 "[ . 1 . ]" 1
1206 1 24 VAL MG1 1 25 LYS H 3.900 . 5.800 2.360 2.225 2.558 . 0 0 "[ . 1 . ]" 1
1207 1 80 PHE H 1 81 SER QB 4.100 . 6.000 4.570 4.355 4.770 . 0 0 "[ . 1 . ]" 1
1208 1 5 LEU MD2 1 11 TYR H 3.900 . 5.800 5.859 5.629 5.924 0.124 12 0 "[ . 1 . ]" 1
1209 1 3 GLN HB3 1 5 LEU H 4.500 . 6.000 6.044 5.831 6.154 0.154 4 0 "[ . 1 . ]" 1
1210 1 94 GLU H 1 94 GLU HB3 2.700 . 3.600 3.571 2.585 3.678 0.078 12 0 "[ . 1 . ]" 1
1211 1 4 GLU H 1 4 GLU QG 2.500 . 3.300 2.215 2.037 2.948 . 0 0 "[ . 1 . ]" 1
1212 1 5 LEU H 1 5 LEU MD1 3.700 . 5.400 3.673 3.475 3.811 . 0 0 "[ . 1 . ]" 1
1213 1 5 LEU H 1 5 LEU MD2 4.100 . 6.000 3.785 3.454 3.985 . 0 0 "[ . 1 . ]" 1
1214 1 7 GLN H 1 8 HIS HA 4.500 . 6.000 5.452 5.412 5.485 . 0 0 "[ . 1 . ]" 1
1215 1 8 HIS HA 1 10 ARG H 3.500 . 5.100 4.340 4.208 4.430 . 0 0 "[ . 1 . ]" 1
1216 1 8 HIS HB2 1 8 HIS HD2 2.900 . 3.900 3.643 2.852 3.917 0.017 5 0 "[ . 1 . ]" 1
1217 1 83 TRP HE1 1 86 ILE MG 4.500 . 6.000 4.076 3.887 4.368 . 0 0 "[ . 1 . ]" 1
1218 1 83 TRP HE1 1 87 LYS H 4.000 . 5.500 5.351 5.202 5.495 . 0 0 "[ . 1 . ]" 1
1219 1 83 TRP HE1 1 86 ILE MD 5.000 . 6.500 6.325 6.170 6.517 0.017 8 0 "[ . 1 . ]" 1
1220 1 83 TRP HE1 1 86 ILE HG13 5.000 . 6.500 6.444 6.240 6.536 0.036 7 0 "[ . 1 . ]" 1
1221 1 83 TRP HE1 1 86 ILE HB 4.000 . 5.500 5.019 4.847 5.140 . 0 0 "[ . 1 . ]" 1
1222 1 83 TRP HA 1 83 TRP HE1 4.500 . 6.000 5.021 4.981 5.069 . 0 0 "[ . 1 . ]" 1
1223 1 83 TRP HD1 1 86 ILE MG 4.500 . 6.000 4.485 4.252 4.788 . 0 0 "[ . 1 . ]" 1
1224 1 53 ILE MD 1 83 TRP HE1 5.000 . 6.500 6.412 4.711 6.661 0.161 16 0 "[ . 1 . ]" 1
1225 1 56 TRP HE1 1 59 VAL MG1 5.000 . 6.500 4.378 3.933 5.477 . 0 0 "[ . 1 . ]" 1
1226 1 56 TRP HE1 1 59 VAL HB 4.500 . 6.000 4.779 4.353 5.713 . 0 0 "[ . 1 . ]" 1
1227 1 56 TRP HE1 1 60 GLY HA3 4.500 . 6.000 3.994 3.519 4.527 . 0 0 "[ . 1 . ]" 1
1228 1 56 TRP HA 1 56 TRP HE1 4.500 . 6.000 4.801 4.747 4.867 . 0 0 "[ . 1 . ]" 1
1229 1 27 LYS H 1 54 LYS HB3 4.500 . 6.000 6.019 5.644 6.089 0.089 5 0 "[ . 1 . ]" 1
1230 1 27 LYS H 1 52 ASP HB3 4.500 . 6.000 5.145 4.025 5.972 . 0 0 "[ . 1 . ]" 1
1231 1 27 LYS H 1 52 ASP HB2 4.500 . 6.000 5.042 3.725 6.099 0.099 7 0 "[ . 1 . ]" 1
1232 1 41 THR MG 1 79 ALA H 4.500 . 6.000 4.840 3.954 5.709 . 0 0 "[ . 1 . ]" 1
1233 1 75 VAL MG2 1 79 ALA H 4.500 . 6.000 5.798 5.578 6.004 0.004 6 0 "[ . 1 . ]" 1
1234 1 79 ALA H 1 81 SER HB2 4.500 . 6.000 5.588 5.159 6.070 0.070 7 0 "[ . 1 . ]" 1
1235 1 59 VAL MG1 1 63 PHE QD 4.500 . 6.500 2.839 2.428 3.118 . 0 0 "[ . 1 . ]" 1
1236 1 26 VAL MG2 1 54 LYS HB3 4.500 . 6.500 5.646 4.431 6.462 . 0 0 "[ . 1 . ]" 1
1237 1 26 VAL MG1 1 31 LEU HA 4.500 . 6.500 6.232 4.145 6.613 0.113 16 0 "[ . 1 . ]" 1
1238 1 26 VAL MG2 1 55 PHE HA 4.500 . 6.500 4.751 3.025 5.950 . 0 0 "[ . 1 . ]" 1
1239 1 76 PRO HA 1 80 PHE QE 5.000 . 6.000 5.784 4.904 6.084 0.084 11 0 "[ . 1 . ]" 1
1240 1 75 VAL MG2 1 77 VAL HA 4.500 . 6.000 5.856 5.323 6.170 0.170 1 0 "[ . 1 . ]" 1
1241 1 75 VAL MG1 1 80 PHE QE 4.500 . 6.500 5.475 4.993 6.273 . 0 0 "[ . 1 . ]" 1
1242 1 83 TRP HD1 1 87 LYS HB3 4.500 . 6.000 4.823 4.443 5.506 . 0 0 "[ . 1 . ]" 1
1243 1 83 TRP HE1 1 87 LYS HA 4.000 . 5.500 5.153 4.931 5.552 0.052 11 0 "[ . 1 . ]" 1
1244 1 83 TRP HD1 1 86 ILE MD 5.000 . 6.500 6.565 6.463 6.658 0.158 8 0 "[ . 1 . ]" 1
1245 1 83 TRP HZ2 1 86 ILE MD 5.000 . 6.500 6.103 5.989 6.242 . 0 0 "[ . 1 . ]" 1
1246 1 83 TRP HH2 1 86 ILE MD 4.500 . 6.000 6.073 5.998 6.132 0.132 6 0 "[ . 1 . ]" 1
1247 1 51 ILE MG 1 83 TRP HZ3 4.500 . 6.000 4.973 4.160 5.310 . 0 0 "[ . 1 . ]" 1
1248 1 51 ILE MG 1 83 TRP HH2 4.500 . 6.000 3.697 2.422 4.148 . 0 0 "[ . 1 . ]" 1
1249 1 51 ILE MG 1 53 ILE HB 4.500 . 6.000 5.602 5.452 5.732 . 0 0 "[ . 1 . ]" 1
1250 1 16 LYS HA 1 19 LEU MD1 3.500 . 5.000 2.697 2.205 4.851 . 0 0 "[ . 1 . ]" 1
1251 1 83 TRP HZ3 1 86 ILE MD 4.500 . 6.000 5.898 5.593 6.004 0.004 3 0 "[ . 1 . ]" 1
1252 1 59 VAL HA 1 62 CYS HA 4.500 . 6.000 5.292 5.151 5.480 . 0 0 "[ . 1 . ]" 1
1253 1 86 ILE HA 1 89 LEU HA 4.500 . 6.000 5.205 5.079 5.349 . 0 0 "[ . 1 . ]" 1
1254 1 87 LYS HA 1 90 ILE MG 4.500 . 6.500 3.676 3.560 3.827 . 0 0 "[ . 1 . ]" 1
1255 1 55 PHE QD 1 59 VAL MG2 4.000 . 6.000 2.569 2.033 4.502 . 0 0 "[ . 1 . ]" 1
1256 1 55 PHE QE 1 59 VAL MG2 4.000 . 6.000 2.944 2.031 6.253 0.253 12 0 "[ . 1 . ]" 1
1257 1 37 PHE QE 1 59 VAL MG1 5.000 . 6.000 3.257 2.340 3.797 . 0 0 "[ . 1 . ]" 1
1258 1 82 TYR H 1 85 LEU MD1 4.500 . 6.000 4.999 4.760 6.307 0.307 11 0 "[ . 1 . ]" 1
1259 1 82 TYR HA 1 85 LEU MD1 4.500 . 6.000 2.838 2.494 3.999 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 84
_Distance_constraint_stats_list.Viol_count 438
_Distance_constraint_stats_list.Viol_total 445.512
_Distance_constraint_stats_list.Viol_max 0.302
_Distance_constraint_stats_list.Viol_rms 0.0354
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.0565
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLN 0.100 0.055 7 0 "[ . 1 . ]"
1 8 HIS 1.053 0.096 15 0 "[ . 1 . ]"
1 9 GLU 0.716 0.121 5 0 "[ . 1 . ]"
1 10 ARG 0.392 0.074 10 0 "[ . 1 . ]"
1 11 TYR 0.921 0.128 11 0 "[ . 1 . ]"
1 12 VAL 1.108 0.096 15 0 "[ . 1 . ]"
1 13 GLU 0.892 0.121 5 0 "[ . 1 . ]"
1 14 GLN 1.201 0.095 1 0 "[ . 1 . ]"
1 15 LEU 0.821 0.128 11 0 "[ . 1 . ]"
1 16 LYS 1.100 0.130 18 0 "[ . 1 . ]"
1 17 GLN 1.573 0.189 17 0 "[ . 1 . ]"
1 18 ALA 0.809 0.095 1 0 "[ . 1 . ]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 20 LYS 1.045 0.130 18 0 "[ . 1 . ]"
1 21 THR 1.397 0.189 17 0 "[ . 1 . ]"
1 28 TYR 2.507 0.195 1 0 "[ . 1 . ]"
1 29 ALA 0.193 0.093 12 0 "[ . 1 . ]"
1 30 ASP 0.507 0.124 2 0 "[ . 1 . ]"
1 31 LEU 1.038 0.146 1 0 "[ . 1 . ]"
1 32 LEU 2.643 0.195 1 0 "[ . 1 . ]"
1 33 LYS 1.603 0.192 18 0 "[ . 1 . ]"
1 34 PHE 0.519 0.124 2 0 "[ . 1 . ]"
1 35 PHE 1.072 0.146 1 0 "[ . 1 . ]"
1 36 ASP 0.917 0.100 15 0 "[ . 1 . ]"
1 37 PHE 3.247 0.302 14 0 "[ . 1 . ]"
1 38 VAL 0.011 0.011 10 0 "[ . 1 . ]"
1 39 LYS 0.034 0.034 2 0 "[ . 1 . ]"
1 40 ASP 0.781 0.100 15 0 "[ . 1 . ]"
1 41 THR 1.838 0.302 14 0 "[ . 1 . ]"
1 57 ARG 0.048 0.028 2 0 "[ . 1 . ]"
1 58 ARG 0.430 0.112 18 0 "[ . 1 . ]"
1 59 VAL 1.723 0.143 5 0 "[ . 1 . ]"
1 60 GLY 0.125 0.062 17 0 "[ . 1 . ]"
1 61 ASP 0.127 0.078 7 0 "[ . 1 . ]"
1 62 CYS 0.555 0.112 18 0 "[ . 1 . ]"
1 63 PHE 1.723 0.143 5 0 "[ . 1 . ]"
1 64 GLN 0.213 0.062 17 0 "[ . 1 . ]"
1 65 ASP 0.091 0.078 7 0 "[ . 1 . ]"
1 66 TYR 0.968 0.105 5 0 "[ . 1 . ]"
1 67 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 68 ASN 0.088 0.046 18 0 "[ . 1 . ]"
1 69 THR 0.012 0.012 14 0 "[ . 1 . ]"
1 70 PHE 0.842 0.105 5 0 "[ . 1 . ]"
1 77 VAL 0.394 0.070 14 0 "[ . 1 . ]"
1 78 THR 0.141 0.066 1 0 "[ . 1 . ]"
1 79 ALA 0.084 0.056 7 0 "[ . 1 . ]"
1 80 PHE 0.307 0.106 7 0 "[ . 1 . ]"
1 81 SER 3.251 0.169 4 0 "[ . 1 . ]"
1 82 TYR 0.449 0.066 1 0 "[ . 1 . ]"
1 83 TRP 0.342 0.058 10 0 "[ . 1 . ]"
1 84 ASN 1.457 0.147 1 0 "[ . 1 . ]"
1 85 LEU 2.883 0.169 4 0 "[ . 1 . ]"
1 86 ILE 0.308 0.057 4 0 "[ . 1 . ]"
1 87 LYS 0.992 0.269 11 0 "[ . 1 . ]"
1 88 GLU 1.150 0.147 1 0 "[ . 1 . ]"
1 89 LEU 0.026 0.019 11 0 "[ . 1 . ]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 91 ASP 0.734 0.269 11 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLN O 1 11 TYR H 1.800 . 2.300 2.183 1.987 2.355 0.055 7 0 "[ . 1 . ]" 2
2 1 7 GLN O 1 11 TYR N 2.800 2.800 3.300 3.084 2.882 3.281 . 0 0 "[ . 1 . ]" 2
3 1 8 HIS O 1 12 VAL H 1.800 . 2.300 2.342 2.229 2.396 0.096 15 0 "[ . 1 . ]" 2
4 1 8 HIS O 1 12 VAL N 2.800 2.800 3.300 3.275 3.204 3.350 0.050 14 0 "[ . 1 . ]" 2
5 1 9 GLU O 1 13 GLU H 1.800 . 2.300 2.247 1.982 2.421 0.121 5 0 "[ . 1 . ]" 2
6 1 9 GLU O 1 13 GLU N 2.800 2.800 3.300 3.148 2.852 3.349 0.049 5 0 "[ . 1 . ]" 2
7 1 10 ARG O 1 14 GLN H 1.800 . 2.300 2.213 1.946 2.374 0.074 10 0 "[ . 1 . ]" 2
8 1 10 ARG O 1 14 GLN N 2.800 2.800 3.300 3.149 2.847 3.329 0.029 10 0 "[ . 1 . ]" 2
9 1 11 TYR O 1 15 LEU H 1.800 . 2.300 2.170 1.848 2.428 0.128 11 0 "[ . 1 . ]" 2
10 1 11 TYR O 1 15 LEU N 2.800 2.800 3.300 3.083 2.768 3.357 0.057 11 0 "[ . 1 . ]" 2
11 1 12 VAL O 1 16 LYS H 1.800 . 2.300 2.010 1.830 2.210 . 0 0 "[ . 1 . ]" 2
12 1 12 VAL O 1 16 LYS N 2.800 2.800 3.300 2.939 2.769 3.140 0.031 16 0 "[ . 1 . ]" 2
13 1 13 GLU O 1 17 GLN H 1.800 . 2.300 2.281 2.179 2.369 0.069 8 0 "[ . 1 . ]" 2
14 1 13 GLU O 1 17 GLN N 2.800 2.800 3.300 3.204 3.092 3.287 . 0 0 "[ . 1 . ]" 2
15 1 14 GLN O 1 18 ALA H 1.800 . 2.300 2.328 2.245 2.395 0.095 1 0 "[ . 1 . ]" 2
16 1 14 GLN O 1 18 ALA N 2.800 2.800 3.300 3.275 3.201 3.334 0.034 1 0 "[ . 1 . ]" 2
17 1 15 LEU O 1 19 LEU H 1.800 . 2.300 2.061 1.911 2.238 . 0 0 "[ . 1 . ]" 2
18 1 15 LEU O 1 19 LEU N 2.800 2.800 3.300 2.986 2.852 3.129 . 0 0 "[ . 1 . ]" 2
19 1 16 LYS O 1 20 LYS H 1.800 . 2.300 1.881 1.746 2.091 0.054 13 0 "[ . 1 . ]" 2
20 1 16 LYS O 1 20 LYS N 2.800 2.800 3.300 2.805 2.670 2.998 0.130 18 0 "[ . 1 . ]" 2
21 1 17 GLN O 1 21 THR H 1.800 . 2.300 2.339 2.077 2.489 0.189 17 0 "[ . 1 . ]" 2
22 1 17 GLN O 1 21 THR N 2.800 2.800 3.300 3.247 2.989 3.392 0.092 17 0 "[ . 1 . ]" 2
23 1 28 TYR O 1 32 LEU H 1.800 . 2.300 2.396 2.298 2.495 0.195 1 0 "[ . 1 . ]" 2
24 1 28 TYR O 1 32 LEU N 2.800 2.800 3.300 3.340 3.259 3.422 0.122 1 0 "[ . 1 . ]" 2
25 1 29 ALA O 1 33 LYS H 1.800 . 2.300 1.941 1.747 2.061 0.053 12 0 "[ . 1 . ]" 2
26 1 29 ALA O 1 33 LYS N 2.800 2.800 3.300 2.894 2.707 3.011 0.093 12 0 "[ . 1 . ]" 2
27 1 30 ASP O 1 34 PHE H 1.800 . 2.300 1.915 1.784 1.999 0.016 2 0 "[ . 1 . ]" 2
28 1 30 ASP O 1 34 PHE N 2.800 2.800 3.300 2.803 2.676 2.906 0.124 2 0 "[ . 1 . ]" 2
29 1 31 LEU O 1 35 PHE H 1.800 . 2.300 2.315 2.185 2.446 0.146 1 0 "[ . 1 . ]" 2
30 1 31 LEU O 1 35 PHE N 2.800 2.800 3.300 3.269 3.143 3.390 0.090 1 0 "[ . 1 . ]" 2
31 1 32 LEU O 1 36 ASP H 1.800 . 2.300 2.207 2.018 2.350 0.050 2 0 "[ . 1 . ]" 2
32 1 32 LEU O 1 36 ASP N 2.800 2.800 3.300 3.165 2.984 3.295 . 0 0 "[ . 1 . ]" 2
33 1 33 LYS O 1 37 PHE H 1.800 . 2.300 1.811 1.719 1.943 0.081 18 0 "[ . 1 . ]" 2
34 1 33 LYS O 1 37 PHE N 2.800 2.800 3.300 2.746 2.608 2.896 0.192 18 0 "[ . 1 . ]" 2
35 1 34 PHE O 1 38 VAL H 1.800 . 2.300 2.029 1.824 2.194 . 0 0 "[ . 1 . ]" 2
36 1 34 PHE O 1 38 VAL N 2.800 2.800 3.300 2.986 2.789 3.144 0.011 10 0 "[ . 1 . ]" 2
37 1 35 PHE O 1 39 LYS H 1.800 . 2.300 2.076 1.806 2.273 . 0 0 "[ . 1 . ]" 2
38 1 35 PHE O 1 39 LYS N 2.800 2.800 3.300 3.040 2.766 3.222 0.034 2 0 "[ . 1 . ]" 2
39 1 36 ASP O 1 40 ASP H 1.800 . 2.300 1.953 1.832 2.144 . 0 0 "[ . 1 . ]" 2
40 1 36 ASP O 1 40 ASP N 2.800 2.800 3.300 2.792 2.700 2.990 0.100 15 0 "[ . 1 . ]" 2
41 1 37 PHE O 1 41 THR H 1.800 . 2.300 2.351 2.007 2.602 0.302 14 0 "[ . 1 . ]" 2
42 1 37 PHE O 1 41 THR N 2.800 2.800 3.300 3.004 2.757 3.320 0.043 3 0 "[ . 1 . ]" 2
43 1 57 ARG O 1 61 ASP H 1.800 . 2.300 2.183 1.905 2.328 0.028 2 0 "[ . 1 . ]" 2
44 1 57 ARG O 1 61 ASP N 2.800 2.800 3.300 3.145 2.870 3.297 . 0 0 "[ . 1 . ]" 2
45 1 58 ARG O 1 62 CYS H 1.800 . 2.300 1.879 1.755 2.016 0.045 18 0 "[ . 1 . ]" 2
46 1 58 ARG O 1 62 CYS N 2.800 2.800 3.300 2.796 2.688 2.910 0.112 18 0 "[ . 1 . ]" 2
47 1 59 VAL O 1 63 PHE H 1.800 . 2.300 1.773 1.685 1.847 0.115 5 0 "[ . 1 . ]" 2
48 1 59 VAL O 1 63 PHE N 2.800 2.800 3.300 2.741 2.657 2.819 0.143 5 0 "[ . 1 . ]" 2
49 1 60 GLY O 1 64 GLN H 1.800 . 2.300 1.959 1.804 2.134 . 0 0 "[ . 1 . ]" 2
50 1 60 GLY O 1 64 GLN N 2.800 2.800 3.300 2.888 2.738 3.039 0.062 17 0 "[ . 1 . ]" 2
51 1 61 ASP O 1 65 ASP H 1.800 . 2.300 2.109 1.870 2.278 . 0 0 "[ . 1 . ]" 2
52 1 61 ASP O 1 65 ASP N 2.800 2.800 3.300 2.983 2.722 3.159 0.078 7 0 "[ . 1 . ]" 2
53 1 62 CYS O 1 66 TYR H 1.800 . 2.300 2.218 2.065 2.358 0.058 12 0 "[ . 1 . ]" 2
54 1 62 CYS O 1 66 TYR N 2.800 2.800 3.300 3.163 3.024 3.286 . 0 0 "[ . 1 . ]" 2
55 1 63 PHE O 1 67 TYR H 1.800 . 2.300 2.024 1.927 2.171 . 0 0 "[ . 1 . ]" 2
56 1 63 PHE O 1 67 TYR N 2.800 2.800 3.300 2.923 2.824 3.064 . 0 0 "[ . 1 . ]" 2
57 1 64 GLN O 1 68 ASN H 1.800 . 2.300 2.191 2.052 2.346 0.046 18 0 "[ . 1 . ]" 2
58 1 64 GLN O 1 68 ASN N 2.800 2.800 3.300 3.165 3.031 3.316 0.016 18 0 "[ . 1 . ]" 2
59 1 65 ASP O 1 69 THR H 1.800 . 2.300 2.037 1.872 2.223 . 0 0 "[ . 1 . ]" 2
60 1 65 ASP O 1 69 THR N 2.800 2.800 3.300 2.936 2.788 3.123 0.012 14 0 "[ . 1 . ]" 2
61 1 66 TYR O 1 70 PHE H 1.800 . 2.300 1.822 1.742 2.055 0.058 5 0 "[ . 1 . ]" 2
62 1 66 TYR O 1 70 PHE N 2.800 2.800 3.300 2.779 2.695 3.012 0.105 5 0 "[ . 1 . ]" 2
63 1 77 VAL O 1 81 SER H 1.800 . 2.300 2.266 1.958 2.370 0.070 14 0 "[ . 1 . ]" 2
64 1 77 VAL O 1 81 SER N 2.800 2.800 3.300 3.220 2.936 3.322 0.022 14 0 "[ . 1 . ]" 2
65 1 78 THR O 1 82 TYR H 1.800 . 2.300 1.944 1.763 2.258 0.037 1 0 "[ . 1 . ]" 2
66 1 78 THR O 1 82 TYR N 2.800 2.800 3.300 2.912 2.734 3.231 0.066 1 0 "[ . 1 . ]" 2
67 1 79 ALA O 1 83 TRP H 1.800 . 2.300 1.955 1.800 2.263 . 0 0 "[ . 1 . ]" 2
68 1 79 ALA O 1 83 TRP N 2.800 2.800 3.300 2.890 2.744 3.186 0.056 7 0 "[ . 1 . ]" 2
69 1 80 PHE O 1 84 ASN H 1.800 . 2.300 1.925 1.822 2.072 . 0 0 "[ . 1 . ]" 2
70 1 80 PHE O 1 84 ASN N 2.800 2.800 3.300 2.821 2.694 2.951 0.106 7 0 "[ . 1 . ]" 2
71 1 81 SER O 1 85 LEU H 1.800 . 2.300 2.414 2.308 2.469 0.169 4 0 "[ . 1 . ]" 2
72 1 81 SER O 1 85 LEU N 2.800 2.800 3.300 3.337 3.208 3.389 0.089 6 0 "[ . 1 . ]" 2
73 1 82 TYR O 1 86 ILE H 1.800 . 2.300 2.287 2.150 2.357 0.057 4 0 "[ . 1 . ]" 2
74 1 82 TYR O 1 86 ILE N 2.800 2.800 3.300 3.219 3.094 3.296 . 0 0 "[ . 1 . ]" 2
75 1 83 TRP O 1 87 LYS H 1.800 . 2.300 1.874 1.784 2.073 0.016 10 0 "[ . 1 . ]" 2
76 1 83 TRP O 1 87 LYS N 2.800 2.800 3.300 2.826 2.742 3.020 0.058 10 0 "[ . 1 . ]" 2
77 1 84 ASN O 1 88 GLU H 1.800 . 2.300 2.350 2.192 2.447 0.147 1 0 "[ . 1 . ]" 2
78 1 84 ASN O 1 88 GLU N 2.800 2.800 3.300 3.263 3.137 3.318 0.018 1 0 "[ . 1 . ]" 2
79 1 85 LEU O 1 89 LEU H 1.800 . 2.300 2.152 1.978 2.319 0.019 11 0 "[ . 1 . ]" 2
80 1 85 LEU O 1 89 LEU N 2.800 2.800 3.300 3.055 2.872 3.235 . 0 0 "[ . 1 . ]" 2
81 1 86 ILE O 1 90 ILE H 1.800 . 2.300 1.946 1.847 2.082 . 0 0 "[ . 1 . ]" 2
82 1 86 ILE O 1 90 ILE N 2.800 2.800 3.300 2.918 2.823 3.029 . 0 0 "[ . 1 . ]" 2
83 1 87 LYS O 1 91 ASP H 1.800 . 2.300 1.901 1.637 2.154 0.163 11 0 "[ . 1 . ]" 2
84 1 87 LYS O 1 91 ASP N 2.800 2.800 3.300 2.788 2.531 2.913 0.269 11 0 "[ . 1 . ]" 2
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