Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573287 | 2m5j RC | 18201 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m5j
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 947
_Distance_constraint_stats_list.Viol_count 983
_Distance_constraint_stats_list.Viol_total 12948.429
_Distance_constraint_stats_list.Viol_max 12.410
_Distance_constraint_stats_list.Viol_rms 0.4883
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0342
_Distance_constraint_stats_list.Viol_average_violations_only 0.6586
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLN 0.014 0.014 19 0 "[ . 1 . 2]"
1 8 GLN 0.086 0.045 3 0 "[ . 1 . 2]"
1 9 LYS 3.217 0.508 18 1 "[ . 1 . + 2]"
1 10 ASN 1.799 0.413 8 0 "[ . 1 . 2]"
1 11 PHE 2.164 0.413 8 0 "[ . 1 . 2]"
1 12 ASN 0.289 0.053 1 0 "[ . 1 . 2]"
1 13 ILE 73.987 3.787 19 20 [***********-******+*]
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLN 77.664 3.787 19 20 [**-***************+*]
1 18 LEU 3.070 0.187 19 0 "[ . 1 . 2]"
1 19 GLN 0.481 0.119 2 0 "[ . 1 . 2]"
1 20 SER 2.262 0.231 19 0 "[ . 1 . 2]"
1 21 ALA 2.451 0.135 6 0 "[ . 1 . 2]"
1 22 MET 4.285 0.346 17 0 "[ . 1 . 2]"
1 23 LEU 6.138 0.730 16 8 "[ **** *1 * .+ - 2]"
1 24 ARG 1.184 0.206 8 0 "[ . 1 . 2]"
1 25 PHE 0.227 0.102 18 0 "[ . 1 . 2]"
1 26 ALA 0.327 0.147 17 0 "[ . 1 . 2]"
1 27 GLU 4.114 0.524 2 1 "[ + . 1 . 2]"
1 28 GLN 0.002 0.002 20 0 "[ . 1 . 2]"
1 29 ALA 0.041 0.027 15 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 MET 0.490 0.158 20 0 "[ . 1 . 2]"
1 32 GLN 0.566 0.137 3 0 "[ . 1 . 2]"
1 33 VAL 1.993 0.346 17 0 "[ . 1 . 2]"
1 34 PHE 0.717 0.179 10 0 "[ . 1 . 2]"
1 35 PHE 1.736 0.802 6 2 "[ -.+ 1 . 2]"
1 36 ASP 1.088 0.129 6 0 "[ . 1 . 2]"
1 37 GLU 2.888 0.513 14 1 "[ . 1 +. 2]"
1 38 VAL 2.208 0.802 6 2 "[ -.+ 1 . 2]"
1 39 LYS 480.694 12.410 5 20 [**-*+***************]
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 1.972 0.412 5 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 MET 0.994 0.187 19 0 "[ . 1 . 2]"
1 45 ALA 478.870 12.410 5 20 [**-*+***************]
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.660 0.117 11 0 "[ . 1 . 2]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.021 0.021 19 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 MET 0.447 0.176 6 0 "[ . 1 . 2]"
1 53 SER 1.051 0.176 6 0 "[ . 1 . 2]"
1 54 VAL 3.455 0.197 5 0 "[ . 1 . 2]"
1 55 GLU 4.900 0.628 10 2 "[ . + - . 2]"
1 56 GLN 1.204 0.628 10 1 "[ . + . 2]"
1 57 GLY 0.030 0.030 13 0 "[ . 1 . 2]"
1 58 LEU 13.180 0.629 17 5 "[ * * * 1 - . + 2]"
1 59 ARG 4.751 0.628 10 3 "[ - * + . 2]"
1 60 ARG 0.829 0.122 16 0 "[ . 1 . 2]"
1 61 LEU 1.379 0.177 15 0 "[ . 1 . 2]"
1 62 ILE 3.544 0.440 15 0 "[ . 1 . 2]"
1 63 GLY 0.440 0.440 15 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 3.594 0.200 7 0 "[ . 1 . 2]"
1 68 ALA 4.906 0.374 17 0 "[ . 1 . 2]"
1 69 PHE 3.235 0.240 9 0 "[ . 1 . 2]"
1 70 ARG 0.594 0.228 19 0 "[ . 1 . 2]"
1 71 LEU 2.191 0.240 9 0 "[ . 1 . 2]"
1 72 GLN 2.364 0.265 1 0 "[ . 1 . 2]"
1 73 PRO 3.905 0.285 9 0 "[ . 1 . 2]"
1 74 GLN 0.129 0.129 9 0 "[ . 1 . 2]"
1 75 GLY 0.152 0.086 1 0 "[ . 1 . 2]"
1 76 GLN 0.686 0.158 20 0 "[ . 1 . 2]"
1 77 ILE 0.354 0.069 5 0 "[ . 1 . 2]"
1 78 VAL 0.959 0.180 13 0 "[ . 1 . 2]"
1 79 LEU 3.292 0.462 20 0 "[ . 1 . 2]"
1 80 SER 5.761 0.786 13 3 "[ * . 1 + - 2]"
1 81 ARG 5.570 0.786 13 6 "[ * * 1 +*- * 2]"
1 82 LEU 0.397 0.083 16 0 "[ . 1 . 2]"
1 83 PRO 2.122 0.237 12 0 "[ . 1 . 2]"
1 84 THR 1.337 0.237 12 0 "[ . 1 . 2]"
1 85 ALA 0.427 0.132 17 0 "[ . 1 . 2]"
1 88 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 5.075 0.959 12 2 "[ . 1 +- . 2]"
1 93 ALA 1.886 0.160 13 0 "[ . 1 . 2]"
1 94 LEU 1.886 0.160 13 0 "[ . 1 . 2]"
1 95 ASP 5.075 0.959 12 2 "[ . 1 +- . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LEU 0.072 0.051 3 0 "[ . 1 . 2]"
1 98 THR 0.557 0.078 1 0 "[ . 1 . 2]"
1 99 VAL 0.709 0.095 20 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ASN 4.419 0.629 17 2 "[ . - 1 . + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLN HA 1 4 GLN QB 2.480 . 3.249 2.350 2.173 2.417 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLN HA 1 4 GLN QG 2.732 . 3.665 2.761 2.355 3.420 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLN HA 1 5 ALA H 3.128 . 4.351 2.740 2.686 2.770 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLN QB 1 4 GLN HG2 2.114 . 2.672 2.065 1.964 2.131 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLN HB2 1 4 GLN HG2 2.067 . 2.601 1.979 1.858 2.096 . 0 0 "[ . 1 . 2]" 1
6 1 5 ALA H 1 5 ALA MB 2.814 . 3.804 2.312 2.229 2.453 . 0 0 "[ . 1 . 2]" 1
7 1 5 ALA H 1 5 ALA MB 2.295 . 2.953 2.044 1.999 2.093 . 0 0 "[ . 1 . 2]" 1
8 1 5 ALA HA 1 5 ALA MB 2.427 . 3.163 2.129 2.127 2.131 . 0 0 "[ . 1 . 2]" 1
9 1 6 ALA H 1 6 ALA MB 2.537 . 3.341 2.545 2.243 2.943 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLN H 1 7 GLN QG 3.320 . 4.698 3.032 1.928 4.027 0.014 19 0 "[ . 1 . 2]" 1
11 1 7 GLN HA 1 8 GLN H 2.085 . 2.628 2.147 2.077 2.311 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLN QG 1 8 GLN H 3.631 . 5.279 3.723 2.815 4.437 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLN QG 1 9 LYS H 4.017 . 6.034 4.732 3.711 5.531 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLN QG 1 9 LYS QG 3.221 . 4.518 3.394 2.254 4.287 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLN H 1 8 GLN QB 2.918 . 3.983 2.676 2.269 3.184 . 0 0 "[ . 1 . 2]" 1
16 1 8 GLN H 1 8 GLN QG 2.885 . 3.925 2.637 2.041 3.966 0.041 19 0 "[ . 1 . 2]" 1
17 1 8 GLN HA 1 9 LYS H 2.191 . 2.791 2.178 2.101 2.351 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLN HA 1 53 SER H 3.798 . 5.601 3.925 3.558 4.595 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLN QB 1 9 LYS H 3.760 . 5.528 3.127 2.537 3.881 . 0 0 "[ . 1 . 2]" 1
20 1 8 GLN QB 1 52 MET H 3.711 . 5.432 3.515 2.864 4.977 . 0 0 "[ . 1 . 2]" 1
21 1 8 GLN QB 1 53 SER H 3.680 . 5.373 4.321 3.239 5.418 0.045 3 0 "[ . 1 . 2]" 1
22 1 8 GLN QG 1 9 LYS H 4.341 . 6.696 4.082 3.118 4.797 . 0 0 "[ . 1 . 2]" 1
23 1 9 LYS H 1 9 LYS HA 2.802 . 3.783 2.946 2.937 2.951 . 0 0 "[ . 1 . 2]" 1
24 1 9 LYS H 1 9 LYS HB2 2.649 . 3.526 2.602 2.447 2.758 . 0 0 "[ . 1 . 2]" 1
25 1 9 LYS H 1 9 LYS HB3 3.747 . 5.502 3.736 3.656 3.824 . 0 0 "[ . 1 . 2]" 1
26 1 9 LYS H 1 9 LYS HD2 4.833 . 7.753 4.606 3.678 5.256 . 0 0 "[ . 1 . 2]" 1
27 1 9 LYS H 1 9 LYS HD3 3.379 . 4.806 4.353 3.656 4.939 0.133 19 0 "[ . 1 . 2]" 1
28 1 9 LYS H 1 9 LYS QG 3.036 . 4.188 2.837 2.449 3.383 . 0 0 "[ . 1 . 2]" 1
29 1 9 LYS H 1 51 SER HA 3.284 . 4.632 4.170 3.860 4.595 . 0 0 "[ . 1 . 2]" 1
30 1 9 LYS H 1 52 MET H 2.666 . 3.554 2.880 2.697 3.183 . 0 0 "[ . 1 . 2]" 1
31 1 9 LYS H 1 52 MET HA 3.293 . 4.648 3.978 3.529 4.371 . 0 0 "[ . 1 . 2]" 1
32 1 9 LYS HA 1 9 LYS HB2 3.033 . 4.183 2.659 2.558 2.734 . 0 0 "[ . 1 . 2]" 1
33 1 9 LYS HA 1 9 LYS HB3 2.638 . 3.508 2.478 2.394 2.590 . 0 0 "[ . 1 . 2]" 1
34 1 9 LYS HA 1 9 LYS HD3 2.532 . 3.333 2.707 2.054 3.841 0.508 18 1 "[ . 1 . + 2]" 1
35 1 9 LYS HA 1 10 ASN H 2.190 . 2.789 2.281 2.192 2.411 . 0 0 "[ . 1 . 2]" 1
36 1 9 LYS HB2 1 10 ASN H 3.492 . 5.016 3.637 3.440 3.851 . 0 0 "[ . 1 . 2]" 1
37 1 9 LYS HB3 1 9 LYS HD3 2.934 . 4.010 3.329 3.013 3.756 . 0 0 "[ . 1 . 2]" 1
38 1 9 LYS HB3 1 10 ASN H 2.622 . 3.482 2.799 2.464 3.178 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS HD2 1 9 LYS HE3 2.679 . 3.576 2.611 2.393 3.017 . 0 0 "[ . 1 . 2]" 1
40 1 9 LYS HD2 1 9 LYS QG 2.565 . 3.388 2.375 2.348 2.406 . 0 0 "[ . 1 . 2]" 1
41 1 9 LYS HD2 1 10 ASN H 4.497 . 7.025 3.913 3.358 4.332 . 0 0 "[ . 1 . 2]" 1
42 1 9 LYS HD3 1 9 LYS HE2 2.998 . 4.122 2.633 2.394 3.017 . 0 0 "[ . 1 . 2]" 1
43 1 9 LYS HD3 1 9 LYS QG 2.612 . 3.465 2.268 2.169 2.345 . 0 0 "[ . 1 . 2]" 1
44 1 9 LYS HD3 1 10 ASN H 4.468 . 6.964 4.498 3.571 5.738 . 0 0 "[ . 1 . 2]" 1
45 1 9 LYS HE2 1 9 LYS QG 3.208 . 4.257 2.755 2.342 3.312 . 0 0 "[ . 1 . 2]" 1
46 1 9 LYS HE3 1 9 LYS QG 3.195 . 3.801 2.836 2.324 3.496 . 0 0 "[ . 1 . 2]" 1
47 1 9 LYS QG 1 10 ASN H 4.240 . 6.487 4.458 4.218 4.647 . 0 0 "[ . 1 . 2]" 1
48 1 10 ASN H 1 10 ASN HA 2.910 . 3.440 2.895 2.870 2.927 . 0 0 "[ . 1 . 2]" 1
49 1 10 ASN H 1 10 ASN HB2 2.611 . 3.463 2.675 2.322 3.586 0.123 8 0 "[ . 1 . 2]" 1
50 1 10 ASN H 1 10 ASN HB3 2.578 . 3.409 2.750 2.402 3.590 0.181 7 0 "[ . 1 . 2]" 1
51 1 10 ASN HA 1 11 PHE H 2.131 . 2.699 2.152 2.108 2.194 . 0 0 "[ . 1 . 2]" 1
52 1 10 ASN HB3 1 11 PHE H 3.625 . 5.267 4.243 3.766 4.429 . 0 0 "[ . 1 . 2]" 1
53 1 10 ASN HB3 1 11 PHE HE1 5.077 . 8.299 7.864 6.998 8.712 0.413 8 0 "[ . 1 . 2]" 1
54 1 11 PHE H 1 11 PHE HA 2.948 . 4.034 2.935 2.927 2.948 . 0 0 "[ . 1 . 2]" 1
55 1 11 PHE H 1 11 PHE HB2 2.574 . 3.402 2.508 2.386 2.639 . 0 0 "[ . 1 . 2]" 1
56 1 11 PHE H 1 11 PHE HB2 2.923 . 3.991 2.413 2.256 2.566 . 0 0 "[ . 1 . 2]" 1
57 1 11 PHE H 1 11 PHE HB3 2.961 . 4.057 3.681 3.624 3.776 . 0 0 "[ . 1 . 2]" 1
58 1 11 PHE H 1 11 PHE HD1 4.089 . 6.179 4.613 3.909 4.950 . 0 0 "[ . 1 . 2]" 1
59 1 11 PHE H 1 11 PHE HD2 4.276 . 6.562 3.126 2.610 3.620 . 0 0 "[ . 1 . 2]" 1
60 1 11 PHE H 1 11 PHE HE1 5.284 . 8.774 6.107 5.418 6.489 . 0 0 "[ . 1 . 2]" 1
61 1 11 PHE H 1 11 PHE HE2 5.029 . 8.191 5.077 4.698 5.383 . 0 0 "[ . 1 . 2]" 1
62 1 11 PHE H 1 52 MET ME 3.888 . 5.778 4.730 3.900 5.670 . 0 0 "[ . 1 . 2]" 1
63 1 11 PHE HA 1 11 PHE HD1 4.590 . 7.223 2.589 2.200 2.969 . 0 0 "[ . 1 . 2]" 1
64 1 11 PHE HA 1 11 PHE HD2 4.733 . 7.533 4.322 4.097 4.636 . 0 0 "[ . 1 . 2]" 1
65 1 11 PHE HA 1 12 ASN H 2.289 . 2.944 2.183 2.134 2.266 . 0 0 "[ . 1 . 2]" 1
66 1 11 PHE HA 1 50 GLY H 3.687 . 5.387 4.835 4.689 5.124 . 0 0 "[ . 1 . 2]" 1
67 1 11 PHE HB2 1 11 PHE HD1 3.459 . 4.955 3.700 3.644 3.732 . 0 0 "[ . 1 . 2]" 1
68 1 11 PHE HB2 1 11 PHE HD2 3.486 . 5.005 2.310 2.263 2.380 . 0 0 "[ . 1 . 2]" 1
69 1 11 PHE HB2 1 11 PHE HE2 3.266 . 4.600 4.603 4.575 4.631 0.031 15 0 "[ . 1 . 2]" 1
70 1 11 PHE HB2 1 12 ASN H 3.824 . 5.652 4.073 3.833 4.438 . 0 0 "[ . 1 . 2]" 1
71 1 11 PHE HB2 1 13 ILE MD 4.152 . 6.306 3.545 3.260 3.901 . 0 0 "[ . 1 . 2]" 1
72 1 11 PHE HB2 1 48 LEU QD 3.053 . 4.218 2.158 1.861 2.952 0.027 1 0 "[ . 1 . 2]" 1
73 1 11 PHE HB2 1 48 LEU HG 3.116 . 4.330 3.718 2.250 4.376 0.046 7 0 "[ . 1 . 2]" 1
74 1 11 PHE HB2 1 50 GLY H 2.835 . 3.840 3.371 2.720 3.861 0.021 19 0 "[ . 1 . 2]" 1
75 1 11 PHE HB3 1 11 PHE HD1 3.478 . 4.990 2.603 2.421 2.894 . 0 0 "[ . 1 . 2]" 1
76 1 11 PHE HB3 1 11 PHE HD2 3.532 . 5.091 3.502 3.286 3.627 . 0 0 "[ . 1 . 2]" 1
77 1 11 PHE HB3 1 12 ASN H 2.921 . 3.988 3.081 2.697 3.712 . 0 0 "[ . 1 . 2]" 1
78 1 11 PHE HB3 1 48 LEU QD 2.899 . 3.950 2.200 1.953 2.778 . 0 0 "[ . 1 . 2]" 1
79 1 11 PHE HB3 1 48 LEU HG 3.749 . 5.506 3.584 2.330 4.604 . 0 0 "[ . 1 . 2]" 1
80 1 11 PHE HB3 1 50 GLY H 3.794 . 5.594 4.565 3.860 4.962 . 0 0 "[ . 1 . 2]" 1
81 1 11 PHE HD1 1 12 ASN H 4.388 . 6.794 3.885 3.427 4.387 . 0 0 "[ . 1 . 2]" 1
82 1 11 PHE HD1 1 13 ILE MD 4.106 . 6.213 3.392 2.449 4.304 . 0 0 "[ . 1 . 2]" 1
83 1 11 PHE HD1 1 13 ILE HG12 3.994 . 5.988 4.555 3.855 5.435 . 0 0 "[ . 1 . 2]" 1
84 1 11 PHE HD1 1 48 LEU QD 4.067 . 6.135 4.060 2.548 4.627 . 0 0 "[ . 1 . 2]" 1
85 1 11 PHE HD1 1 48 LEU HG 4.509 . 7.051 5.739 4.470 6.569 . 0 0 "[ . 1 . 2]" 1
86 1 11 PHE HD2 1 12 ASN H 5.181 . 8.537 5.980 5.754 6.166 . 0 0 "[ . 1 . 2]" 1
87 1 11 PHE HD2 1 13 ILE MD 3.981 . 5.962 5.973 5.717 6.053 0.091 20 0 "[ . 1 . 2]" 1
88 1 11 PHE HD2 1 13 ILE HG12 3.970 . 5.941 3.817 2.672 5.022 . 0 0 "[ . 1 . 2]" 1
89 1 11 PHE HD2 1 48 LEU QD 4.112 . 6.225 3.171 2.323 4.046 . 0 0 "[ . 1 . 2]" 1
90 1 11 PHE HD2 1 48 LEU HG 4.505 . 7.042 5.104 3.095 5.874 . 0 0 "[ . 1 . 2]" 1
91 1 11 PHE HE1 1 54 VAL H 5.350 . 8.927 7.157 5.431 7.966 . 0 0 "[ . 1 . 2]" 1
92 1 11 PHE HE1 1 54 VAL QG 4.230 . 6.467 4.828 3.335 6.228 . 0 0 "[ . 1 . 2]" 1
93 1 11 PHE HE2 1 52 MET QG 4.785 . 7.647 3.381 2.081 5.497 . 0 0 "[ . 1 . 2]" 1
94 1 11 PHE HE2 1 53 SER H 4.195 . 6.395 4.789 4.028 5.676 . 0 0 "[ . 1 . 2]" 1
95 1 12 ASN H 1 12 ASN HB2 3.294 . 4.650 3.251 2.601 3.961 . 0 0 "[ . 1 . 2]" 1
96 1 12 ASN H 1 12 ASN HB3 3.146 . 4.383 3.181 2.666 3.813 . 0 0 "[ . 1 . 2]" 1
97 1 12 ASN H 1 13 ILE MD 3.350 . 4.753 3.431 2.876 4.454 . 0 0 "[ . 1 . 2]" 1
98 1 12 ASN H 1 13 ILE HG12 2.943 . 4.026 3.430 3.209 3.843 . 0 0 "[ . 1 . 2]" 1
99 1 12 ASN H 1 13 ILE HG13 3.405 . 4.854 4.378 2.969 4.907 0.053 1 0 "[ . 1 . 2]" 1
100 1 12 ASN HA 1 13 ILE H 2.165 . 2.751 2.199 2.111 2.287 . 0 0 "[ . 1 . 2]" 1
101 1 12 ASN HA 1 48 LEU H 4.575 . 7.191 5.420 4.809 6.003 . 0 0 "[ . 1 . 2]" 1
102 1 12 ASN HB2 1 12 ASN HD21 2.868 . 3.897 2.990 2.188 3.524 . 0 0 "[ . 1 . 2]" 1
103 1 12 ASN HB2 1 13 ILE H 4.277 . 6.563 4.363 3.456 4.559 . 0 0 "[ . 1 . 2]" 1
104 1 12 ASN HB3 1 12 ASN HD21 3.914 . 5.828 2.708 2.209 3.503 . 0 0 "[ . 1 . 2]" 1
105 1 12 ASN HB3 1 12 ASN HD22 3.680 . 5.373 3.699 3.470 4.070 . 0 0 "[ . 1 . 2]" 1
106 1 12 ASN HB3 1 13 ILE H 3.838 . 5.679 4.326 3.968 4.492 . 0 0 "[ . 1 . 2]" 1
107 1 13 ILE H 1 13 ILE HA 2.910 . 3.969 2.949 2.934 2.954 . 0 0 "[ . 1 . 2]" 1
108 1 13 ILE H 1 13 ILE HB 3.111 . 4.321 2.763 2.650 2.893 . 0 0 "[ . 1 . 2]" 1
109 1 13 ILE H 1 13 ILE HB 2.562 . 3.382 2.443 2.248 2.814 . 0 0 "[ . 1 . 2]" 1
110 1 13 ILE H 1 13 ILE MD 3.536 . 5.099 3.354 3.187 3.642 . 0 0 "[ . 1 . 2]" 1
111 1 13 ILE H 1 13 ILE HG13 3.347 . 4.747 3.579 2.593 4.013 . 0 0 "[ . 1 . 2]" 1
112 1 13 ILE H 1 47 ALA HA 4.314 . 6.641 5.343 4.450 5.887 . 0 0 "[ . 1 . 2]" 1
113 1 13 ILE H 1 47 ALA MB 4.515 . 7.063 5.760 4.919 6.239 . 0 0 "[ . 1 . 2]" 1
114 1 13 ILE H 1 48 LEU H 2.942 . 4.024 3.666 3.123 4.047 0.023 18 0 "[ . 1 . 2]" 1
115 1 13 ILE H 1 48 LEU HB2 4.262 . 6.532 3.790 3.269 4.570 . 0 0 "[ . 1 . 2]" 1
116 1 13 ILE H 1 48 LEU HB3 2.839 . 3.846 2.716 1.888 3.616 . 0 0 "[ . 1 . 2]" 1
117 1 13 ILE H 1 49 ASN HA 3.412 . 4.867 3.568 3.137 3.948 . 0 0 "[ . 1 . 2]" 1
118 1 13 ILE HA 1 13 ILE HB 2.756 . 3.705 2.666 2.421 2.775 . 0 0 "[ . 1 . 2]" 1
119 1 13 ILE HA 1 13 ILE MD 3.139 . 4.371 2.713 2.153 3.878 . 0 0 "[ . 1 . 2]" 1
120 1 13 ILE HA 1 13 ILE MG 2.616 . 3.471 2.312 2.253 2.377 . 0 0 "[ . 1 . 2]" 1
121 1 13 ILE HA 1 16 GLN H 2.212 . 2.824 6.335 6.001 6.611 3.787 19 20 [***********-******+*] 1
122 1 13 ILE HA 1 48 LEU H 3.761 . 5.529 5.186 4.794 5.542 0.013 18 0 "[ . 1 . 2]" 1
123 1 13 ILE HB 1 13 ILE MG 2.152 . 2.731 2.128 2.124 2.131 . 0 0 "[ . 1 . 2]" 1
124 1 13 ILE HB 1 48 LEU H 2.812 . 3.800 3.177 2.339 3.719 . 0 0 "[ . 1 . 2]" 1
125 1 13 ILE HB 1 48 LEU HB2 2.884 . 3.923 3.158 2.087 3.786 . 0 0 "[ . 1 . 2]" 1
126 1 13 ILE HB 1 48 LEU HB3 2.462 . 3.220 2.014 1.802 2.344 . 0 0 "[ . 1 . 2]" 1
127 1 13 ILE HB 1 48 LEU QD 2.652 . 3.531 3.286 2.932 3.476 . 0 0 "[ . 1 . 2]" 1
128 1 13 ILE MD 1 13 ILE HG12 2.109 . 2.665 2.115 2.111 2.118 . 0 0 "[ . 1 . 2]" 1
129 1 13 ILE MD 1 48 LEU HB3 4.033 . 6.067 3.324 3.054 3.634 . 0 0 "[ . 1 . 2]" 1
130 1 13 ILE MD 1 24 ARG H 3.694 . 5.399 4.209 2.970 4.535 . 0 0 "[ . 1 . 2]" 1
131 1 13 ILE MD 1 24 ARG HB2 2.659 . 3.543 3.420 2.657 3.749 0.206 8 0 "[ . 1 . 2]" 1
132 1 13 ILE MD 1 24 ARG HB3 2.950 . 4.038 3.871 2.927 4.095 0.057 18 0 "[ . 1 . 2]" 1
133 1 13 ILE MD 1 25 PHE H 2.984 . 4.097 3.439 2.845 3.772 . 0 0 "[ . 1 . 2]" 1
134 1 13 ILE MD 1 25 PHE HA 3.005 . 4.134 3.006 1.989 4.130 . 0 0 "[ . 1 . 2]" 1
135 1 13 ILE MD 1 25 PHE HB2 2.929 . 4.001 2.295 1.898 3.068 . 0 0 "[ . 1 . 2]" 1
136 1 13 ILE MD 1 25 PHE HB3 2.947 . 4.033 3.392 2.204 4.035 0.002 5 0 "[ . 1 . 2]" 1
137 1 13 ILE MD 1 25 PHE QD 4.182 . 6.368 3.046 2.232 3.890 . 0 0 "[ . 1 . 2]" 1
138 1 13 ILE MD 1 48 LEU HB3 3.743 . 5.494 3.942 3.231 4.603 . 0 0 "[ . 1 . 2]" 1
139 1 13 ILE MD 1 48 LEU HG 3.456 . 4.949 4.261 2.703 5.010 0.061 12 0 "[ . 1 . 2]" 1
140 1 13 ILE MD 1 61 LEU QD 2.707 . 3.623 2.882 1.816 3.699 0.076 15 0 "[ . 1 . 2]" 1
141 1 13 ILE MD 1 61 LEU HG 3.786 . 5.578 4.681 2.375 5.628 0.050 8 0 "[ . 1 . 2]" 1
142 1 13 ILE HG12 1 48 LEU QD 2.843 . 3.853 2.850 1.888 3.915 0.062 17 0 "[ . 1 . 2]" 1
143 1 13 ILE HG13 1 48 LEU HB3 2.737 . 3.674 3.109 2.594 3.563 . 0 0 "[ . 1 . 2]" 1
144 1 13 ILE HG13 1 48 LEU HG 2.849 . 3.864 3.509 2.779 3.981 0.117 11 0 "[ . 1 . 2]" 1
145 1 13 ILE HG13 1 61 LEU HG 3.326 . 4.709 4.386 2.718 4.775 0.066 6 0 "[ . 1 . 2]" 1
146 1 13 ILE MG 1 16 GLN H 2.934 . 4.010 3.534 3.355 3.731 . 0 0 "[ . 1 . 2]" 1
147 1 13 ILE MG 1 16 GLN HB2 2.837 . 3.843 3.803 3.601 3.909 0.066 9 0 "[ . 1 . 2]" 1
148 1 13 ILE MG 1 16 GLN HE21 2.737 . 3.673 2.780 1.971 3.680 0.007 16 0 "[ . 1 . 2]" 1
149 1 13 ILE MG 1 16 GLN HG3 3.231 . 4.536 3.539 3.014 4.128 . 0 0 "[ . 1 . 2]" 1
150 1 13 ILE MG 1 21 ALA H 3.969 . 5.938 5.409 4.960 5.609 . 0 0 "[ . 1 . 2]" 1
151 1 13 ILE MG 1 21 ALA HA 2.632 . 3.498 3.291 2.809 3.538 0.040 12 0 "[ . 1 . 2]" 1
152 1 13 ILE MG 1 21 ALA MB 2.309 . 2.976 2.879 2.575 3.044 0.068 4 0 "[ . 1 . 2]" 1
153 1 13 ILE MG 1 22 MET H 3.708 . 5.426 5.305 4.806 5.487 0.061 4 0 "[ . 1 . 2]" 1
154 1 13 ILE MG 1 48 LEU H 3.741 . 5.490 4.177 3.477 4.670 . 0 0 "[ . 1 . 2]" 1
155 1 13 ILE MG 1 48 LEU HB2 4.400 . 6.821 4.321 3.434 4.768 . 0 0 "[ . 1 . 2]" 1
156 1 15 ALA H 1 16 GLN HA 2.313 . 2.982 2.922 2.920 2.926 . 0 0 "[ . 1 . 2]" 1
157 1 16 GLN H 1 16 GLN HA 2.708 . 3.625 2.934 2.932 2.938 . 0 0 "[ . 1 . 2]" 1
158 1 16 GLN H 1 16 GLN HE21 2.979 . 4.088 4.188 3.312 4.983 0.895 16 9 "[ -**** *1 .+* *]" 1
159 1 16 GLN H 1 16 GLN HG2 3.644 . 5.303 3.910 3.657 4.127 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLN H 1 16 GLN HG3 2.787 . 3.758 2.711 2.518 2.867 . 0 0 "[ . 1 . 2]" 1
161 1 16 GLN H 1 45 ALA H 3.005 . 4.134 3.442 3.028 4.172 0.038 15 0 "[ . 1 . 2]" 1
162 1 16 GLN H 1 45 ALA MB 2.868 . 3.896 2.405 1.924 2.990 . 0 0 "[ . 1 . 2]" 1
163 1 16 GLN HB2 1 16 GLN HG3 2.084 . 2.627 2.138 2.015 2.256 . 0 0 "[ . 1 . 2]" 1
164 1 16 GLN HB2 1 21 ALA H 3.398 . 4.841 3.443 3.264 3.658 . 0 0 "[ . 1 . 2]" 1
165 1 16 GLN HB2 1 21 ALA HA 2.767 . 3.724 2.212 2.051 2.339 . 0 0 "[ . 1 . 2]" 1
166 1 16 GLN HB2 1 21 ALA MB 2.946 . 4.031 2.375 2.088 2.723 . 0 0 "[ . 1 . 2]" 1
167 1 16 GLN HE22 1 16 GLN HG2 3.472 . 4.978 3.884 3.767 4.047 . 0 0 "[ . 1 . 2]" 1
168 1 18 LEU H 1 18 LEU HA 2.818 . 3.811 2.757 2.726 2.782 . 0 0 "[ . 1 . 2]" 1
169 1 18 LEU H 1 18 LEU QB 2.488 . 3.262 2.110 2.012 2.315 . 0 0 "[ . 1 . 2]" 1
170 1 18 LEU H 1 18 LEU QD 4.090 . 6.181 3.619 3.099 3.719 . 0 0 "[ . 1 . 2]" 1
171 1 18 LEU H 1 18 LEU HG 3.911 . 5.823 3.824 2.337 4.558 . 0 0 "[ . 1 . 2]" 1
172 1 18 LEU H 1 19 GLN H 2.943 . 4.025 2.902 2.762 2.977 . 0 0 "[ . 1 . 2]" 1
173 1 18 LEU H 1 19 GLN HB2 4.050 . 6.101 5.077 4.807 5.246 . 0 0 "[ . 1 . 2]" 1
174 1 18 LEU HA 1 18 LEU QB 2.755 . 3.704 2.286 1.946 2.461 . 0 0 "[ . 1 . 2]" 1
175 1 18 LEU HA 1 18 LEU QD 2.619 . 3.476 2.100 1.845 2.312 . 0 0 "[ . 1 . 2]" 1
176 1 18 LEU HA 1 19 GLN H 3.740 . 5.489 3.544 3.467 3.586 . 0 0 "[ . 1 . 2]" 1
177 1 18 LEU HA 1 21 ALA H 3.021 . 4.162 3.016 2.619 3.262 . 0 0 "[ . 1 . 2]" 1
178 1 18 LEU HA 1 21 ALA MB 2.427 . 3.163 2.260 1.994 2.482 . 0 0 "[ . 1 . 2]" 1
179 1 18 LEU HA 1 21 ALA MB 2.287 . 2.941 2.133 1.958 2.314 . 0 0 "[ . 1 . 2]" 1
180 1 18 LEU HA 1 22 MET H 3.500 . 5.031 4.011 3.520 4.465 . 0 0 "[ . 1 . 2]" 1
181 1 18 LEU HA 1 45 ALA MB 2.448 . 3.197 2.819 2.501 3.213 0.016 20 0 "[ . 1 . 2]" 1
182 1 18 LEU QB 1 18 LEU HG 2.292 . 2.949 2.354 2.329 2.369 . 0 0 "[ . 1 . 2]" 1
183 1 18 LEU QB 1 19 GLN H 3.017 . 4.109 2.648 2.468 2.997 . 0 0 "[ . 1 . 2]" 1
184 1 18 LEU QB 1 19 GLN HB2 4.206 . 6.418 4.729 4.039 5.139 . 0 0 "[ . 1 . 2]" 1
185 1 18 LEU QB 1 43 MET H 3.987 . 5.974 4.614 3.419 5.371 . 0 0 "[ . 1 . 2]" 1
186 1 18 LEU QB 1 43 MET QB 2.396 . 3.114 2.266 1.808 2.972 0.187 19 0 "[ . 1 . 2]" 1
187 1 18 LEU QD 1 19 GLN H 4.317 . 6.646 3.915 3.682 4.291 . 0 0 "[ . 1 . 2]" 1
188 1 18 LEU QD 1 21 ALA H 4.108 . 6.217 4.305 4.147 4.521 . 0 0 "[ . 1 . 2]" 1
189 1 18 LEU QD 1 21 ALA MB 2.052 . 2.578 2.589 2.308 2.687 0.109 16 0 "[ . 1 . 2]" 1
190 1 18 LEU QD 1 22 MET H 3.618 . 5.255 3.631 3.211 4.211 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU QD 1 22 MET ME 1.566 . 1.873 1.889 1.802 1.964 0.091 6 0 "[ . 1 . 2]" 1
192 1 18 LEU QD 1 22 MET QG 2.749 . 3.591 2.484 1.929 2.925 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU QD 1 62 ILE HA 2.692 . 3.598 2.670 1.841 3.348 . 0 0 "[ . 1 . 2]" 1
194 1 18 LEU QD 1 62 ILE HG12 2.856 . 3.876 2.431 1.966 3.146 . 0 0 "[ . 1 . 2]" 1
195 1 18 LEU HG 1 21 ALA H 3.877 . 5.756 5.683 5.183 5.891 0.135 6 0 "[ . 1 . 2]" 1
196 1 19 GLN H 1 19 GLN HA 2.744 . 3.685 2.814 2.752 2.850 . 0 0 "[ . 1 . 2]" 1
197 1 19 GLN H 1 19 GLN HB2 2.403 . 3.125 2.449 2.054 2.646 . 0 0 "[ . 1 . 2]" 1
198 1 19 GLN H 1 19 GLN QG 3.055 . 3.951 2.470 1.998 3.510 . 0 0 "[ . 1 . 2]" 1
199 1 19 GLN H 1 20 SER H 2.690 . 3.595 2.724 2.534 3.017 . 0 0 "[ . 1 . 2]" 1
200 1 19 GLN H 1 21 ALA MB 4.398 . 6.816 4.439 4.249 4.653 . 0 0 "[ . 1 . 2]" 1
201 1 19 GLN H 1 33 VAL QG 4.404 . 5.554 4.269 3.720 4.932 . 0 0 "[ . 1 . 2]" 1
202 1 19 GLN HA 1 19 GLN QB 3.123 . 4.342 2.393 2.320 2.535 . 0 0 "[ . 1 . 2]" 1
203 1 19 GLN HA 1 19 GLN HB3 2.437 . 3.179 2.196 2.145 2.355 . 0 0 "[ . 1 . 2]" 1
204 1 19 GLN HA 1 19 GLN QG 2.746 . 3.688 2.441 2.330 3.061 . 0 0 "[ . 1 . 2]" 1
205 1 19 GLN HA 1 20 SER H 3.208 . 4.494 3.537 3.473 3.581 . 0 0 "[ . 1 . 2]" 1
206 1 19 GLN HA 1 33 VAL HB 3.278 . 4.622 4.125 3.115 4.692 0.070 11 0 "[ . 1 . 2]" 1
207 1 19 GLN HA 1 33 VAL QG 2.540 . 3.346 2.205 1.838 2.779 0.119 2 0 "[ . 1 . 2]" 1
208 1 19 GLN HB2 1 21 ALA H 4.180 . 6.364 4.526 4.284 4.901 . 0 0 "[ . 1 . 2]" 1
209 1 19 GLN HB2 1 20 SER H 2.426 . 3.162 2.616 2.172 3.136 . 0 0 "[ . 1 . 2]" 1
210 1 19 GLN QG 1 20 SER H 3.945 . 5.890 4.158 3.807 4.668 . 0 0 "[ . 1 . 2]" 1
211 1 19 GLN QG 1 33 VAL QG 3.498 . 5.028 3.042 2.001 3.688 . 0 0 "[ . 1 . 2]" 1
212 1 19 GLN QG 1 35 PHE QD 3.596 . 5.212 3.710 2.910 4.566 . 0 0 "[ . 1 . 2]" 1
213 1 20 SER H 1 20 SER HA 2.762 . 3.716 2.860 2.776 2.907 . 0 0 "[ . 1 . 2]" 1
214 1 20 SER H 1 20 SER HB2 3.111 . 4.321 2.673 2.496 3.583 . 0 0 "[ . 1 . 2]" 1
215 1 20 SER H 1 20 SER HB3 2.575 . 3.404 3.139 2.441 3.635 0.231 19 0 "[ . 1 . 2]" 1
216 1 20 SER H 1 21 ALA H 2.406 . 3.130 2.432 2.230 2.750 . 0 0 "[ . 1 . 2]" 1
217 1 20 SER H 1 21 ALA HA 4.277 . 6.564 5.044 4.876 5.324 . 0 0 "[ . 1 . 2]" 1
218 1 20 SER H 1 21 ALA MB 4.216 . 6.437 4.098 3.934 4.380 . 0 0 "[ . 1 . 2]" 1
219 1 20 SER HA 1 21 ALA H 3.527 . 5.082 3.478 3.442 3.515 . 0 0 "[ . 1 . 2]" 1
220 1 20 SER HA 1 23 LEU QB 3.023 . 4.165 2.003 1.800 2.216 0.081 9 0 "[ . 1 . 2]" 1
221 1 20 SER HA 1 23 LEU MD1 2.772 . 3.733 2.445 1.991 3.060 . 0 0 "[ . 1 . 2]" 1
222 1 20 SER HA 1 23 LEU QB 2.643 . 3.516 2.189 1.871 2.772 . 0 0 "[ . 1 . 2]" 1
223 1 20 SER HB2 1 21 ALA H 3.750 . 5.508 3.374 2.738 4.048 . 0 0 "[ . 1 . 2]" 1
224 1 21 ALA H 1 21 ALA HA 2.706 . 3.621 2.789 2.769 2.811 . 0 0 "[ . 1 . 2]" 1
225 1 21 ALA H 1 21 ALA MB 2.335 . 3.016 2.216 2.201 2.234 . 0 0 "[ . 1 . 2]" 1
226 1 21 ALA H 1 22 MET QG 3.684 . 5.380 4.452 4.222 4.726 . 0 0 "[ . 1 . 2]" 1
227 1 21 ALA H 1 45 ALA MB 3.496 . 5.024 4.398 4.067 4.758 . 0 0 "[ . 1 . 2]" 1
228 1 21 ALA HA 1 21 ALA MB 2.334 . 3.015 2.132 2.126 2.137 . 0 0 "[ . 1 . 2]" 1
229 1 21 ALA HA 1 22 MET H 3.441 . 4.921 3.555 3.531 3.581 . 0 0 "[ . 1 . 2]" 1
230 1 21 ALA HA 1 24 ARG H 3.586 . 5.193 3.762 3.579 3.902 . 0 0 "[ . 1 . 2]" 1
231 1 21 ALA HA 1 24 ARG HB2 3.598 . 5.216 3.494 3.307 3.777 . 0 0 "[ . 1 . 2]" 1
232 1 21 ALA HA 1 24 ARG HG3 3.058 . 4.227 4.072 3.439 4.309 0.082 5 0 "[ . 1 . 2]" 1
233 1 21 ALA MB 1 22 MET H 2.546 . 3.356 2.212 2.142 2.372 . 0 0 "[ . 1 . 2]" 1
234 1 21 ALA MB 1 22 MET QG 2.745 . 3.687 2.805 2.607 3.058 . 0 0 "[ . 1 . 2]" 1
235 1 21 ALA MB 1 33 VAL QG 3.151 . 4.392 4.320 4.207 4.488 0.096 13 0 "[ . 1 . 2]" 1
236 1 22 MET H 1 22 MET HA 2.894 . 3.941 2.867 2.840 2.897 . 0 0 "[ . 1 . 2]" 1
237 1 22 MET H 1 22 MET ME 4.028 . 6.056 3.663 3.321 3.897 . 0 0 "[ . 1 . 2]" 1
238 1 22 MET H 1 22 MET QG 2.784 . 3.753 2.188 2.056 2.424 . 0 0 "[ . 1 . 2]" 1
239 1 22 MET H 1 23 LEU H 2.631 . 3.496 2.469 2.373 2.583 . 0 0 "[ . 1 . 2]" 1
240 1 22 MET H 1 33 VAL QG 3.971 . 5.942 3.304 3.110 3.532 . 0 0 "[ . 1 . 2]" 1
241 1 22 MET H 1 45 ALA MB 3.843 . 5.690 4.726 4.467 5.268 . 0 0 "[ . 1 . 2]" 1
242 1 22 MET HA 1 22 MET QG 3.356 . 4.763 2.840 2.360 3.197 . 0 0 "[ . 1 . 2]" 1
243 1 22 MET HA 1 23 LEU H 3.471 . 4.977 3.448 3.404 3.507 . 0 0 "[ . 1 . 2]" 1
244 1 22 MET HA 1 25 PHE H 2.871 . 3.902 2.931 2.716 3.243 . 0 0 "[ . 1 . 2]" 1
245 1 22 MET HA 1 25 PHE HB2 4.031 . 6.062 3.879 3.289 5.481 . 0 0 "[ . 1 . 2]" 1
246 1 22 MET HA 1 25 PHE HB3 3.103 . 4.306 2.332 1.876 4.368 0.062 18 0 "[ . 1 . 2]" 1
247 1 22 MET HA 1 26 ALA H 3.177 . 4.439 2.960 2.718 3.213 . 0 0 "[ . 1 . 2]" 1
248 1 22 MET HA 1 27 GLU H 3.549 . 5.124 5.259 5.052 5.458 0.334 9 0 "[ . 1 . 2]" 1
249 1 22 MET ME 1 22 MET QG 2.437 . 3.179 2.207 2.165 2.248 . 0 0 "[ . 1 . 2]" 1
250 1 22 MET ME 1 58 LEU HA 3.965 . 5.930 3.918 3.110 5.232 . 0 0 "[ . 1 . 2]" 1
251 1 22 MET ME 1 58 LEU QD 2.206 . 2.814 2.397 1.922 2.899 0.085 20 0 "[ . 1 . 2]" 1
252 1 22 MET ME 1 58 LEU QD 2.383 . 3.093 2.102 1.823 2.536 . 0 0 "[ . 1 . 2]" 1
253 1 22 MET ME 1 58 LEU HG 3.294 . 4.651 4.285 3.991 4.625 . 0 0 "[ . 1 . 2]" 1
254 1 22 MET ME 1 62 ILE HA 3.557 . 5.138 3.383 2.462 4.559 . 0 0 "[ . 1 . 2]" 1
255 1 22 MET ME 1 62 ILE HG12 1.953 . 2.430 1.991 1.784 2.445 0.015 7 0 "[ . 1 . 2]" 1
256 1 22 MET QG 1 23 LEU H 4.505 . 7.042 4.095 3.875 4.247 . 0 0 "[ . 1 . 2]" 1
257 1 22 MET QG 1 26 ALA H 4.703 . 7.468 5.154 4.641 5.594 . 0 0 "[ . 1 . 2]" 1
258 1 22 MET QG 1 26 ALA H 4.069 . 6.139 4.487 3.976 5.171 . 0 0 "[ . 1 . 2]" 1
259 1 22 MET QG 1 33 VAL QG 3.920 . 5.841 2.554 1.653 3.123 0.346 17 0 "[ . 1 . 2]" 1
260 1 22 MET QG 1 45 ALA MB 3.766 . 5.539 4.413 3.985 4.824 . 0 0 "[ . 1 . 2]" 1
261 1 23 LEU H 1 23 LEU HA 2.624 . 3.485 2.813 2.785 2.853 . 0 0 "[ . 1 . 2]" 1
262 1 23 LEU H 1 23 LEU QB 2.271 . 2.916 2.262 2.188 2.549 . 0 0 "[ . 1 . 2]" 1
263 1 23 LEU H 1 23 LEU QD 3.590 . 5.201 3.651 2.964 3.757 . 0 0 "[ . 1 . 2]" 1
264 1 23 LEU H 1 23 LEU MD2 4.382 . 6.782 4.108 3.112 4.290 . 0 0 "[ . 1 . 2]" 1
265 1 23 LEU H 1 24 ARG H 2.612 . 3.465 2.631 2.480 2.797 . 0 0 "[ . 1 . 2]" 1
266 1 23 LEU H 1 24 ARG HG2 3.554 . 5.133 4.419 4.021 4.727 . 0 0 "[ . 1 . 2]" 1
267 1 23 LEU H 1 32 GLN QG 4.004 . 6.008 5.122 3.973 5.558 . 0 0 "[ . 1 . 2]" 1
268 1 23 LEU HA 1 23 LEU QB 2.460 . 3.216 2.362 2.330 2.444 . 0 0 "[ . 1 . 2]" 1
269 1 23 LEU HA 1 23 LEU MD2 2.441 . 3.186 3.308 2.017 3.916 0.730 16 8 "[ **** *1 * .+ - 2]" 1
270 1 23 LEU HA 1 26 ALA H 3.309 . 4.677 4.056 3.817 4.273 . 0 0 "[ . 1 . 2]" 1
271 1 23 LEU HA 1 26 ALA MB 3.022 . 4.164 3.434 3.034 3.725 . 0 0 "[ . 1 . 2]" 1
272 1 23 LEU HA 1 27 GLU H 3.672 . 5.358 3.772 3.297 4.138 . 0 0 "[ . 1 . 2]" 1
273 1 23 LEU QB 1 23 LEU MD1 2.104 . 2.658 2.165 2.067 2.303 . 0 0 "[ . 1 . 2]" 1
274 1 23 LEU QB 1 23 LEU MD2 2.694 . 3.173 2.182 2.084 2.456 . 0 0 "[ . 1 . 2]" 1
275 1 23 LEU QB 1 24 ARG H 3.613 . 4.543 2.638 2.192 2.917 . 0 0 "[ . 1 . 2]" 1
276 1 23 LEU QB 1 24 ARG H 2.449 . 3.199 2.569 2.174 2.799 . 0 0 "[ . 1 . 2]" 1
277 1 23 LEU QB 1 32 GLN QG 3.048 . 4.209 3.977 3.816 4.063 . 0 0 "[ . 1 . 2]" 1
278 1 23 LEU MD1 1 32 GLN QG 3.691 . 5.394 3.449 2.175 4.593 . 0 0 "[ . 1 . 2]" 1
279 1 24 ARG H 1 24 ARG HA 2.864 . 3.890 2.860 2.787 2.910 . 0 0 "[ . 1 . 2]" 1
280 1 24 ARG H 1 24 ARG HB2 2.816 . 3.807 2.454 2.326 2.561 . 0 0 "[ . 1 . 2]" 1
281 1 24 ARG H 1 24 ARG HB3 3.245 . 4.561 3.601 3.556 3.634 . 0 0 "[ . 1 . 2]" 1
282 1 24 ARG H 1 24 ARG HG2 2.870 . 3.899 2.365 2.151 2.698 . 0 0 "[ . 1 . 2]" 1
283 1 24 ARG H 1 24 ARG HG3 4.041 . 6.083 3.706 3.476 3.890 . 0 0 "[ . 1 . 2]" 1
284 1 24 ARG H 1 25 PHE H 2.733 . 3.667 2.578 2.322 2.812 . 0 0 "[ . 1 . 2]" 1
285 1 24 ARG HA 1 24 ARG HB2 2.786 . 3.756 3.021 3.013 3.026 . 0 0 "[ . 1 . 2]" 1
286 1 24 ARG HA 1 24 ARG HB3 2.699 . 3.610 2.488 2.437 2.552 . 0 0 "[ . 1 . 2]" 1
287 1 24 ARG HB2 1 24 ARG HD2 3.397 . 4.839 3.804 3.681 4.229 . 0 0 "[ . 1 . 2]" 1
288 1 24 ARG HB2 1 25 PHE H 2.985 . 4.098 2.513 2.242 2.834 . 0 0 "[ . 1 . 2]" 1
289 1 24 ARG HB2 1 25 PHE HA 3.562 . 5.148 4.347 4.213 4.458 . 0 0 "[ . 1 . 2]" 1
290 1 24 ARG HB3 1 25 PHE H 2.927 . 3.998 3.526 3.314 3.831 . 0 0 "[ . 1 . 2]" 1
291 1 24 ARG HD2 1 24 ARG HG2 2.883 . 3.922 2.792 2.399 3.016 . 0 0 "[ . 1 . 2]" 1
292 1 24 ARG HD2 1 24 ARG HG3 2.959 . 4.053 2.556 2.335 3.019 . 0 0 "[ . 1 . 2]" 1
293 1 24 ARG HD3 1 24 ARG HG2 2.072 . 2.608 2.138 2.016 2.363 . 0 0 "[ . 1 . 2]" 1
294 1 24 ARG HD3 1 24 ARG HG3 2.908 . 3.965 2.793 2.404 3.020 . 0 0 "[ . 1 . 2]" 1
295 1 24 ARG HD3 1 25 PHE H 4.910 . 7.924 5.432 4.982 6.295 . 0 0 "[ . 1 . 2]" 1
296 1 24 ARG HG2 1 25 PHE H 4.266 . 6.541 4.284 4.072 4.455 . 0 0 "[ . 1 . 2]" 1
297 1 25 PHE H 1 25 PHE HA 2.832 . 3.834 2.842 2.807 2.884 . 0 0 "[ . 1 . 2]" 1
298 1 25 PHE H 1 25 PHE HB2 3.322 . 4.701 2.905 2.735 3.614 . 0 0 "[ . 1 . 2]" 1
299 1 25 PHE H 1 25 PHE HB3 2.462 . 3.220 2.276 2.131 2.396 . 0 0 "[ . 1 . 2]" 1
300 1 25 PHE H 1 26 ALA H 2.709 . 3.626 2.670 2.420 2.810 . 0 0 "[ . 1 . 2]" 1
301 1 25 PHE H 1 26 ALA MB 4.593 . 7.229 4.384 4.153 4.512 . 0 0 "[ . 1 . 2]" 1
302 1 25 PHE H 1 61 LEU QD 4.011 . 6.022 4.531 4.079 4.981 . 0 0 "[ . 1 . 2]" 1
303 1 25 PHE H 1 77 ILE MD 4.198 . 6.401 6.069 5.765 6.411 0.010 16 0 "[ . 1 . 2]" 1
304 1 25 PHE HA 1 25 PHE HB2 2.842 . 3.852 2.336 2.265 2.366 . 0 0 "[ . 1 . 2]" 1
305 1 25 PHE HA 1 25 PHE QD 4.786 . 7.411 2.743 2.391 3.691 . 0 0 "[ . 1 . 2]" 1
306 1 25 PHE HB2 1 25 PHE QD 4.113 . 6.228 2.555 2.401 2.707 . 0 0 "[ . 1 . 2]" 1
307 1 25 PHE HB2 1 26 ALA H 3.746 . 5.500 3.929 3.861 4.069 . 0 0 "[ . 1 . 2]" 1
308 1 25 PHE HB2 1 61 LEU QD 3.718 . 5.446 2.870 2.236 3.569 . 0 0 "[ . 1 . 2]" 1
309 1 25 PHE HB3 1 25 PHE QD 4.173 . 6.349 2.287 2.261 2.370 . 0 0 "[ . 1 . 2]" 1
310 1 25 PHE HB3 1 26 ALA H 2.709 . 3.626 2.621 2.454 3.728 0.102 18 0 "[ . 1 . 2]" 1
311 1 25 PHE QD 1 29 ALA H 3.962 . 5.924 5.266 5.008 5.475 . 0 0 "[ . 1 . 2]" 1
312 1 25 PHE QD 1 29 ALA MB 3.222 . 4.520 4.058 3.783 4.315 . 0 0 "[ . 1 . 2]" 1
313 1 25 PHE QD 1 61 LEU QD 3.688 . 5.327 3.153 2.804 3.728 . 0 0 "[ . 1 . 2]" 1
314 1 25 PHE QD 1 77 ILE MD 4.258 . 5.908 3.288 2.655 4.800 . 0 0 "[ . 1 . 2]" 1
315 1 26 ALA H 1 26 ALA HA 2.753 . 3.700 2.843 2.792 2.880 . 0 0 "[ . 1 . 2]" 1
316 1 26 ALA H 1 26 ALA MB 2.291 . 2.947 2.249 2.228 2.280 . 0 0 "[ . 1 . 2]" 1
317 1 26 ALA H 1 27 GLU H 2.650 . 3.528 2.584 2.448 2.774 . 0 0 "[ . 1 . 2]" 1
318 1 26 ALA H 1 29 ALA MB 4.148 . 6.299 4.616 4.380 5.034 . 0 0 "[ . 1 . 2]" 1
319 1 26 ALA H 1 77 ILE MD 3.688 . 5.388 4.267 3.853 4.699 . 0 0 "[ . 1 . 2]" 1
320 1 26 ALA HA 1 26 ALA MB 2.343 . 3.029 2.120 2.116 2.124 . 0 0 "[ . 1 . 2]" 1
321 1 26 ALA HA 1 27 GLU H 3.265 . 4.597 3.492 3.442 3.578 . 0 0 "[ . 1 . 2]" 1
322 1 26 ALA HA 1 28 GLN H 3.351 . 4.754 3.828 3.560 4.229 . 0 0 "[ . 1 . 2]" 1
323 1 26 ALA HA 1 29 ALA H 3.580 . 5.182 2.839 2.464 3.218 . 0 0 "[ . 1 . 2]" 1
324 1 26 ALA HA 1 29 ALA MB 2.789 . 3.761 2.193 1.942 2.619 . 0 0 "[ . 1 . 2]" 1
325 1 26 ALA HA 1 30 GLY H 3.773 . 5.553 4.119 3.565 4.769 . 0 0 "[ . 1 . 2]" 1
326 1 26 ALA HA 1 31 MET H 3.391 . 4.828 3.698 3.466 3.956 . 0 0 "[ . 1 . 2]" 1
327 1 26 ALA HA 1 77 ILE MD 3.225 . 4.525 3.700 3.208 4.285 . 0 0 "[ . 1 . 2]" 1
328 1 26 ALA MB 1 27 GLU H 2.727 . 3.656 2.935 2.609 3.098 . 0 0 "[ . 1 . 2]" 1
329 1 26 ALA MB 1 29 ALA MB 3.501 . 5.033 3.220 2.857 3.660 . 0 0 "[ . 1 . 2]" 1
330 1 26 ALA MB 1 31 MET H 3.369 . 4.787 2.870 2.432 3.325 . 0 0 "[ . 1 . 2]" 1
331 1 26 ALA MB 1 31 MET ME 2.602 . 3.448 3.062 2.738 3.595 0.147 17 0 "[ . 1 . 2]" 1
332 1 27 GLU H 1 27 GLU HA 2.755 . 3.704 2.814 2.779 2.853 . 0 0 "[ . 1 . 2]" 1
333 1 27 GLU H 1 27 GLU HG2 3.225 . 4.525 2.953 2.250 3.973 . 0 0 "[ . 1 . 2]" 1
334 1 27 GLU H 1 27 GLU HG3 2.628 . 3.491 3.280 2.649 4.015 0.524 2 1 "[ + . 1 . 2]" 1
335 1 27 GLU H 1 28 GLN H 2.778 . 3.743 2.681 2.533 2.899 . 0 0 "[ . 1 . 2]" 1
336 1 27 GLU HA 1 28 GLN H 3.605 . 5.230 3.490 3.446 3.550 . 0 0 "[ . 1 . 2]" 1
337 1 28 GLN H 1 28 GLN HA 2.953 . 4.043 2.889 2.849 2.912 . 0 0 "[ . 1 . 2]" 1
338 1 28 GLN H 1 28 GLN QG 2.680 . 3.578 2.417 1.957 3.580 0.002 20 0 "[ . 1 . 2]" 1
339 1 28 GLN H 1 28 GLN HG3 3.220 . 4.516 2.955 2.258 3.904 . 0 0 "[ . 1 . 2]" 1
340 1 28 GLN H 1 29 ALA H 2.600 . 3.445 2.342 2.217 2.492 . 0 0 "[ . 1 . 2]" 1
341 1 28 GLN H 1 29 ALA MB 4.147 . 6.296 4.060 3.932 4.267 . 0 0 "[ . 1 . 2]" 1
342 1 28 GLN HA 1 28 GLN QG 3.001 . 4.127 2.664 2.259 3.347 . 0 0 "[ . 1 . 2]" 1
343 1 28 GLN HA 1 29 ALA H 3.665 . 5.344 3.415 3.328 3.480 . 0 0 "[ . 1 . 2]" 1
344 1 29 ALA H 1 29 ALA HA 2.844 . 3.855 2.918 2.873 2.944 . 0 0 "[ . 1 . 2]" 1
345 1 29 ALA H 1 29 ALA MB 2.401 . 3.121 2.325 2.264 2.378 . 0 0 "[ . 1 . 2]" 1
346 1 29 ALA H 1 30 GLY H 2.613 . 3.467 2.298 2.179 2.452 . 0 0 "[ . 1 . 2]" 1
347 1 29 ALA HA 1 29 ALA MB 2.294 . 2.952 2.127 2.124 2.131 . 0 0 "[ . 1 . 2]" 1
348 1 29 ALA HA 1 30 GLY H 2.322 . 2.996 2.736 2.643 2.802 . 0 0 "[ . 1 . 2]" 1
349 1 29 ALA MB 1 30 GLY H 3.188 . 4.459 3.122 2.773 3.414 . 0 0 "[ . 1 . 2]" 1
350 1 29 ALA MB 1 31 MET H 3.264 . 4.596 3.363 3.096 3.546 . 0 0 "[ . 1 . 2]" 1
351 1 29 ALA MB 1 31 MET HB2 3.353 . 4.759 3.168 2.881 3.379 . 0 0 "[ . 1 . 2]" 1
352 1 29 ALA MB 1 31 MET HG3 2.951 . 4.040 3.611 2.908 4.067 0.027 15 0 "[ . 1 . 2]" 1
353 1 30 GLY H 1 30 GLY QA 2.538 . 3.343 2.252 2.201 2.314 . 0 0 "[ . 1 . 2]" 1
354 1 30 GLY H 1 31 MET H 2.446 . 3.194 2.352 2.086 2.670 . 0 0 "[ . 1 . 2]" 1
355 1 30 GLY QA 1 31 MET H 2.927 . 3.998 2.765 2.700 2.850 . 0 0 "[ . 1 . 2]" 1
356 1 31 MET H 1 31 MET HB2 3.085 . 4.274 2.661 2.595 2.747 . 0 0 "[ . 1 . 2]" 1
357 1 31 MET H 1 31 MET HB3 3.018 . 4.156 3.838 3.801 3.874 . 0 0 "[ . 1 . 2]" 1
358 1 31 MET H 1 31 MET HG3 3.064 . 4.238 3.353 3.033 3.615 . 0 0 "[ . 1 . 2]" 1
359 1 31 MET H 1 77 ILE MD 3.771 . 5.548 5.085 4.538 5.489 . 0 0 "[ . 1 . 2]" 1
360 1 31 MET HA 1 32 GLN H 2.519 . 3.312 2.501 2.360 2.551 . 0 0 "[ . 1 . 2]" 1
361 1 31 MET HB2 1 32 GLN H 2.788 . 3.760 2.885 2.623 3.296 . 0 0 "[ . 1 . 2]" 1
362 1 31 MET HB2 1 77 ILE MD 3.094 . 4.290 2.958 2.456 3.301 . 0 0 "[ . 1 . 2]" 1
363 1 31 MET HB3 1 31 MET HG3 2.740 . 3.678 2.990 2.829 3.012 . 0 0 "[ . 1 . 2]" 1
364 1 31 MET HB3 1 32 GLN H 2.959 . 4.054 2.235 2.128 2.605 . 0 0 "[ . 1 . 2]" 1
365 1 31 MET HB3 1 71 LEU QD 3.776 . 5.558 4.431 4.076 4.977 . 0 0 "[ . 1 . 2]" 1
366 1 31 MET HB3 1 77 ILE HB 4.141 . 6.284 4.779 4.296 5.428 . 0 0 "[ . 1 . 2]" 1
367 1 31 MET HB3 1 77 ILE MD 2.941 . 4.022 3.210 2.843 3.505 . 0 0 "[ . 1 . 2]" 1
368 1 31 MET ME 1 77 ILE MD 2.140 . 2.713 2.257 1.956 2.778 0.065 6 0 "[ . 1 . 2]" 1
369 1 31 MET QG 1 71 LEU QD 3.175 . 4.435 4.239 3.962 4.414 . 0 0 "[ . 1 . 2]" 1
370 1 31 MET QG 1 77 ILE MD 3.994 . 5.988 4.256 3.920 4.598 . 0 0 "[ . 1 . 2]" 1
371 1 31 MET HG2 1 32 GLN H 3.680 . 5.373 3.530 3.292 3.702 . 0 0 "[ . 1 . 2]" 1
372 1 31 MET HG2 1 76 GLN H 3.424 . 4.889 3.308 1.801 4.170 0.158 20 0 "[ . 1 . 2]" 1
373 1 31 MET HG2 1 76 GLN H 3.499 . 5.030 3.627 2.892 4.685 . 0 0 "[ . 1 . 2]" 1
374 1 32 GLN H 1 76 GLN HA 2.995 . 4.116 2.493 1.912 2.830 . 0 0 "[ . 1 . 2]" 1
375 1 32 GLN H 1 76 GLN QB 3.365 . 4.780 4.455 3.426 4.854 0.074 6 0 "[ . 1 . 2]" 1
376 1 32 GLN HA 1 33 VAL H 2.142 . 2.716 2.384 2.251 2.465 . 0 0 "[ . 1 . 2]" 1
377 1 32 GLN QG 1 33 VAL H 3.622 . 5.262 2.329 1.845 3.408 0.137 3 0 "[ . 1 . 2]" 1
378 1 33 VAL H 1 33 VAL HA 2.897 . 3.946 2.873 2.860 2.910 . 0 0 "[ . 1 . 2]" 1
379 1 33 VAL H 1 33 VAL HB 2.677 . 3.573 3.059 2.540 3.638 0.065 13 0 "[ . 1 . 2]" 1
380 1 33 VAL H 1 33 VAL QG 2.804 . 3.297 1.918 1.714 2.167 0.107 17 0 "[ . 1 . 2]" 1
381 1 33 VAL HA 1 34 PHE H 2.317 . 2.988 2.188 2.121 2.248 . 0 0 "[ . 1 . 2]" 1
382 1 33 VAL HB 1 33 VAL QG 2.111 . 2.668 1.893 1.890 1.897 . 0 0 "[ . 1 . 2]" 1
383 1 33 VAL HB 1 34 PHE H 3.318 . 4.694 3.617 2.788 4.265 . 0 0 "[ . 1 . 2]" 1
384 1 33 VAL QG 1 34 PHE H 3.032 . 4.181 2.847 2.176 3.387 . 0 0 "[ . 1 . 2]" 1
385 1 34 PHE H 1 34 PHE HA 2.917 . 3.980 2.936 2.908 2.948 . 0 0 "[ . 1 . 2]" 1
386 1 34 PHE H 1 34 PHE QB 3.312 . 3.855 2.508 2.293 2.696 . 0 0 "[ . 1 . 2]" 1
387 1 34 PHE H 1 78 VAL HA 3.101 . 4.303 3.467 2.896 3.898 . 0 0 "[ . 1 . 2]" 1
388 1 34 PHE H 1 78 VAL QG 3.450 . 4.938 3.600 2.815 4.249 . 0 0 "[ . 1 . 2]" 1
389 1 34 PHE HA 1 35 PHE H 2.474 . 3.239 2.144 2.085 2.215 . 0 0 "[ . 1 . 2]" 1
390 1 34 PHE QB 1 35 PHE H 4.033 . 6.066 3.772 3.510 3.974 . 0 0 "[ . 1 . 2]" 1
391 1 34 PHE QB 1 35 PHE H 3.390 . 4.827 2.953 2.317 3.474 . 0 0 "[ . 1 . 2]" 1
392 1 34 PHE QB 1 35 PHE QD 4.067 . 5.500 4.871 4.652 4.973 . 0 0 "[ . 1 . 2]" 1
393 1 34 PHE QB 1 78 VAL QG . . 3.438 2.165 1.821 3.028 0.179 10 0 "[ . 1 . 2]" 1
394 1 35 PHE H 1 35 PHE HB2 3.659 . 5.332 3.204 2.339 4.036 . 0 0 "[ . 1 . 2]" 1
395 1 35 PHE H 1 35 PHE HB3 3.404 . 4.852 3.598 3.146 3.893 . 0 0 "[ . 1 . 2]" 1
396 1 35 PHE H 1 36 ASP H 3.442 . 4.923 4.279 3.865 4.445 . 0 0 "[ . 1 . 2]" 1
397 1 35 PHE HA 1 36 ASP H 2.524 . 3.320 2.263 2.135 2.552 . 0 0 "[ . 1 . 2]" 1
398 1 35 PHE HB2 1 35 PHE QD 3.649 . 5.314 2.396 2.289 2.639 . 0 0 "[ . 1 . 2]" 1
399 1 35 PHE HB2 1 36 ASP H 3.989 . 5.978 3.570 2.710 4.513 . 0 0 "[ . 1 . 2]" 1
400 1 35 PHE HB2 1 38 VAL H 3.770 . 5.546 5.047 3.928 6.348 0.802 6 2 "[ -.+ 1 . 2]" 1
401 1 35 PHE HB2 1 38 VAL QG 3.175 . 4.435 3.126 1.932 4.431 . 0 0 "[ . 1 . 2]" 1
402 1 35 PHE HB3 1 35 PHE QD 3.670 . 5.353 2.401 2.252 2.536 . 0 0 "[ . 1 . 2]" 1
403 1 35 PHE HB3 1 38 VAL QG 2.960 . 4.055 3.023 1.862 4.022 0.003 4 0 "[ . 1 . 2]" 1
404 1 35 PHE QD 1 38 VAL QG 3.848 . 5.699 2.863 1.866 5.073 0.131 4 0 "[ . 1 . 2]" 1
405 1 36 ASP H 1 36 ASP HA 2.924 . 3.993 2.902 2.832 2.944 . 0 0 "[ . 1 . 2]" 1
406 1 36 ASP H 1 36 ASP HB2 2.758 . 3.709 3.000 2.307 3.688 . 0 0 "[ . 1 . 2]" 1
407 1 36 ASP H 1 36 ASP HB3 3.454 . 4.945 3.040 2.515 3.734 . 0 0 "[ . 1 . 2]" 1
408 1 36 ASP H 1 36 ASP HB3 2.806 . 3.790 2.365 1.816 2.782 0.006 9 0 "[ . 1 . 2]" 1
409 1 36 ASP H 1 38 VAL QG 3.118 . 4.333 3.197 2.621 4.207 . 0 0 "[ . 1 . 2]" 1
410 1 36 ASP HA 1 37 GLU H 2.616 . 3.471 3.060 2.246 3.555 0.084 10 0 "[ . 1 . 2]" 1
411 1 36 ASP HA 1 38 VAL H 3.672 . 5.357 5.102 4.810 5.441 0.084 15 0 "[ . 1 . 2]" 1
412 1 36 ASP HB2 1 37 GLU H 4.538 . 7.112 2.822 1.835 4.104 0.129 6 0 "[ . 1 . 2]" 1
413 1 36 ASP HB3 1 37 GLU H 2.905 . 3.960 2.783 1.820 3.966 0.030 9 0 "[ . 1 . 2]" 1
414 1 37 GLU H 1 37 GLU HA 2.537 . 3.341 2.884 2.799 2.948 . 0 0 "[ . 1 . 2]" 1
415 1 37 GLU H 1 37 GLU HG2 2.789 . 3.761 3.568 2.401 4.274 0.513 14 1 "[ . 1 +. 2]" 1
416 1 37 GLU H 1 37 GLU HG3 3.587 . 5.195 2.700 2.183 4.070 . 0 0 "[ . 1 . 2]" 1
417 1 37 GLU H 1 38 VAL H 3.009 . 4.141 3.971 3.596 4.175 0.034 17 0 "[ . 1 . 2]" 1
418 1 37 GLU HA 1 37 GLU HG2 2.559 . 3.377 2.583 2.450 3.087 . 0 0 "[ . 1 . 2]" 1
419 1 37 GLU HA 1 38 VAL H 2.642 . 3.514 2.225 2.164 2.254 . 0 0 "[ . 1 . 2]" 1
420 1 37 GLU HG2 1 38 VAL H 4.476 . 6.981 4.780 4.609 5.186 . 0 0 "[ . 1 . 2]" 1
421 1 38 VAL H 1 38 VAL HA 2.796 . 3.773 2.918 2.845 2.948 . 0 0 "[ . 1 . 2]" 1
422 1 38 VAL H 1 38 VAL HB 3.282 . 4.628 3.541 2.660 3.893 . 0 0 "[ . 1 . 2]" 1
423 1 38 VAL H 1 38 VAL QG 2.542 . 3.349 2.319 2.041 2.978 . 0 0 "[ . 1 . 2]" 1
424 1 38 VAL HA 1 38 VAL HB 2.657 . 3.539 2.528 2.401 3.033 . 0 0 "[ . 1 . 2]" 1
425 1 38 VAL HA 1 38 VAL QG 3.476 . 3.647 2.288 2.131 2.363 . 0 0 "[ . 1 . 2]" 1
426 1 38 VAL HA 1 39 LYS H 2.393 . 3.109 2.358 2.107 2.805 . 0 0 "[ . 1 . 2]" 1
427 1 38 VAL HB 1 38 VAL QG 2.007 . 2.511 1.895 1.892 1.898 . 0 0 "[ . 1 . 2]" 1
428 1 38 VAL HB 1 39 LYS H 2.797 . 3.775 2.199 1.713 2.721 0.106 4 0 "[ . 1 . 2]" 1
429 1 38 VAL QG 1 39 LYS H 4.140 . 4.305 2.803 2.388 3.401 . 0 0 "[ . 1 . 2]" 1
430 1 39 LYS H 1 39 LYS HA 2.974 . 3.894 2.884 2.742 2.942 . 0 0 "[ . 1 . 2]" 1
431 1 39 LYS H 1 39 LYS QB 2.757 . 3.707 2.409 2.233 2.759 . 0 0 "[ . 1 . 2]" 1
432 1 39 LYS HA 1 39 LYS QB 3.370 . 4.789 2.091 2.007 2.146 . 0 0 "[ . 1 . 2]" 1
433 1 39 LYS HA 1 39 LYS QG 2.717 . 3.639 2.478 2.363 3.328 . 0 0 "[ . 1 . 2]" 1
434 1 39 LYS HA 1 39 LYS QG 2.989 . 4.106 2.125 2.029 2.269 . 0 0 "[ . 1 . 2]" 1
435 1 39 LYS HA 1 41 ASP H 3.980 . 5.960 5.622 5.047 6.232 0.272 1 0 "[ . 1 . 2]" 1
436 1 39 LYS QB 1 39 LYS HE2 2.408 . 3.133 2.476 1.947 3.433 0.300 7 0 "[ . 1 . 2]" 1
437 1 39 LYS QB 1 39 LYS QG 2.267 . 2.634 2.085 2.073 2.089 . 0 0 "[ . 1 . 2]" 1
438 1 39 LYS QB 1 45 ALA H 2.984 . 4.097 13.972 9.759 16.507 12.410 5 20 [**-*+***************] 1
439 1 39 LYS QB 1 45 ALA MB 4.384 . 6.786 12.655 8.759 15.192 8.406 8 20 [**-****+************] 1
440 1 39 LYS QE 1 39 LYS QG 3.518 . 5.065 2.478 2.279 2.866 . 0 0 "[ . 1 . 2]" 1
441 1 39 LYS QG 1 41 ASP H 3.688 . 5.388 4.469 3.462 5.222 . 0 0 "[ . 1 . 2]" 1
442 1 39 LYS QG 1 45 ALA H 3.742 . 4.895 13.091 9.612 15.632 10.737 5 20 [***-+***************] 1
443 1 40 LEU HA 1 41 ASP H 3.162 . 4.412 2.166 2.120 2.352 . 0 0 "[ . 1 . 2]" 1
444 1 40 LEU QB 1 40 LEU MD1 2.873 . 3.905 2.080 2.050 2.093 . 0 0 "[ . 1 . 2]" 1
445 1 40 LEU QB 1 41 ASP H 3.605 . 5.229 3.158 2.156 3.578 . 0 0 "[ . 1 . 2]" 1
446 1 40 LEU HB2 1 40 LEU MD2 2.145 . 2.720 2.023 1.944 2.101 . 0 0 "[ . 1 . 2]" 1
447 1 41 ASP H 1 41 ASP HA 2.734 . 3.668 2.866 2.665 2.946 . 0 0 "[ . 1 . 2]" 1
448 1 41 ASP H 1 41 ASP HB2 2.608 . 3.458 2.926 2.283 3.870 0.412 5 0 "[ . 1 . 2]" 1
449 1 41 ASP H 1 41 ASP HB3 3.167 . 4.421 2.856 2.401 3.831 . 0 0 "[ . 1 . 2]" 1
450 1 41 ASP HA 1 43 MET H 3.396 . 4.837 2.839 2.690 2.966 . 0 0 "[ . 1 . 2]" 1
451 1 41 ASP HB3 1 43 MET H 3.908 . 5.817 5.392 4.613 5.949 0.132 10 0 "[ . 1 . 2]" 1
452 1 42 GLY HA3 1 43 MET H 3.400 . 4.845 3.316 2.986 3.463 . 0 0 "[ . 1 . 2]" 1
453 1 43 MET H 1 43 MET HA 2.808 . 3.794 2.850 2.757 2.928 . 0 0 "[ . 1 . 2]" 1
454 1 43 MET H 1 43 MET QB 2.505 . 3.289 2.412 2.202 2.788 . 0 0 "[ . 1 . 2]" 1
455 1 45 ALA H 1 45 ALA MB 2.423 . 3.157 2.282 2.257 2.369 . 0 0 "[ . 1 . 2]" 1
456 1 45 ALA HA 1 46 ALA H 2.261 . 2.900 2.364 2.156 2.746 . 0 0 "[ . 1 . 2]" 1
457 1 45 ALA MB 1 46 ALA H 2.755 . 3.704 2.515 1.906 3.454 . 0 0 "[ . 1 . 2]" 1
458 1 46 ALA H 1 46 ALA HA 2.723 . 3.650 2.896 2.800 2.944 . 0 0 "[ . 1 . 2]" 1
459 1 46 ALA H 1 46 ALA MB 2.203 . 2.809 2.283 2.226 2.394 . 0 0 "[ . 1 . 2]" 1
460 1 46 ALA HA 1 47 ALA H 2.147 . 2.723 2.412 2.221 2.632 . 0 0 "[ . 1 . 2]" 1
461 1 46 ALA HA 1 48 LEU H 4.077 . 6.155 5.350 5.169 5.887 . 0 0 "[ . 1 . 2]" 1
462 1 47 ALA H 1 47 ALA HA 2.656 . 3.538 2.836 2.775 2.888 . 0 0 "[ . 1 . 2]" 1
463 1 47 ALA H 1 47 ALA MB 2.025 . 2.537 2.242 2.230 2.269 . 0 0 "[ . 1 . 2]" 1
464 1 47 ALA H 1 48 LEU H 4.238 . 6.483 4.219 4.075 4.515 . 0 0 "[ . 1 . 2]" 1
465 1 47 ALA HA 1 47 ALA MB 2.177 . 2.769 2.129 2.126 2.134 . 0 0 "[ . 1 . 2]" 1
466 1 47 ALA HA 1 48 LEU H 2.084 . 2.627 2.184 2.117 2.247 . 0 0 "[ . 1 . 2]" 1
467 1 47 ALA MB 1 48 LEU H 2.990 . 4.107 3.476 3.174 3.582 . 0 0 "[ . 1 . 2]" 1
468 1 48 LEU H 1 48 LEU HA 2.807 . 3.792 2.914 2.862 2.945 . 0 0 "[ . 1 . 2]" 1
469 1 48 LEU H 1 48 LEU HB2 2.821 . 3.816 2.673 2.269 2.983 . 0 0 "[ . 1 . 2]" 1
470 1 48 LEU H 1 48 LEU HB3 2.641 . 3.513 2.551 2.347 2.822 . 0 0 "[ . 1 . 2]" 1
471 1 48 LEU H 1 48 LEU QD 4.199 . 5.155 3.719 3.597 3.839 . 0 0 "[ . 1 . 2]" 1
472 1 48 LEU HA 1 49 ASN H 2.277 . 2.925 2.156 2.130 2.211 . 0 0 "[ . 1 . 2]" 1
473 1 48 LEU HB2 1 48 LEU QD 2.660 . 3.544 2.287 2.109 2.440 . 0 0 "[ . 1 . 2]" 1
474 1 48 LEU HB2 1 48 LEU QD 1.988 . 2.482 1.668 1.604 1.736 . 0 0 "[ . 1 . 2]" 1
475 1 48 LEU HB2 1 49 ASN H 3.173 . 4.431 3.940 3.121 4.342 . 0 0 "[ . 1 . 2]" 1
476 1 48 LEU HB3 1 48 LEU QD 2.329 . 3.007 2.269 2.220 2.322 . 0 0 "[ . 1 . 2]" 1
477 1 48 LEU HB3 1 48 LEU HG 2.246 . 2.876 2.477 2.442 2.534 . 0 0 "[ . 1 . 2]" 1
478 1 48 LEU QD 1 49 ASN H 3.315 . 4.688 2.509 2.259 2.779 . 0 0 "[ . 1 . 2]" 1
479 1 48 LEU QD 1 62 ILE H 4.086 . 6.173 4.372 4.062 5.035 . 0 0 "[ . 1 . 2]" 1
480 1 48 LEU QD 1 60 ARG H 3.899 . 5.800 4.054 3.478 4.353 . 0 0 "[ . 1 . 2]" 1
481 1 48 LEU QD 1 60 ARG QB 2.311 . 2.979 2.561 2.113 2.949 . 0 0 "[ . 1 . 2]" 1
482 1 48 LEU QD 1 60 ARG QD 3.020 . 4.160 3.013 2.124 3.720 . 0 0 "[ . 1 . 2]" 1
483 1 48 LEU QD 1 61 LEU H 3.307 . 4.674 3.233 2.545 3.823 . 0 0 "[ . 1 . 2]" 1
484 1 49 ASN H 1 49 ASN HB2 3.083 . 4.271 3.436 2.791 3.996 . 0 0 "[ . 1 . 2]" 1
485 1 49 ASN H 1 49 ASN HB3 3.389 . 4.825 3.156 2.821 3.910 . 0 0 "[ . 1 . 2]" 1
486 1 49 ASN HA 1 50 GLY H 2.131 . 2.699 2.185 2.138 2.237 . 0 0 "[ . 1 . 2]" 1
487 1 49 ASN QB 1 50 GLY H 3.137 . 4.367 3.856 3.528 3.994 . 0 0 "[ . 1 . 2]" 1
488 1 51 SER H 1 51 SER HA 2.859 . 3.881 2.927 2.886 2.944 . 0 0 "[ . 1 . 2]" 1
489 1 51 SER H 1 51 SER QB 2.467 . 3.228 2.596 2.329 2.955 . 0 0 "[ . 1 . 2]" 1
490 1 51 SER H 1 52 MET QG 3.547 . 5.119 4.309 3.840 4.809 . 0 0 "[ . 1 . 2]" 1
491 1 51 SER HA 1 52 MET H 2.091 . 2.638 2.155 2.133 2.180 . 0 0 "[ . 1 . 2]" 1
492 1 51 SER HA 1 52 MET QG 3.669 . 5.352 3.690 3.362 4.283 . 0 0 "[ . 1 . 2]" 1
493 1 51 SER QB 1 52 MET H 3.723 . 5.455 3.607 3.333 3.964 . 0 0 "[ . 1 . 2]" 1
494 1 52 MET H 1 52 MET HA 2.868 . 3.896 2.884 2.835 2.940 . 0 0 "[ . 1 . 2]" 1
495 1 52 MET H 1 52 MET QB 3.508 . 5.046 3.235 2.543 3.353 . 0 0 "[ . 1 . 2]" 1
496 1 52 MET H 1 52 MET ME 3.663 . 5.341 4.210 3.718 4.720 . 0 0 "[ . 1 . 2]" 1
497 1 52 MET H 1 52 MET QG 2.531 . 3.332 2.492 2.335 3.309 . 0 0 "[ . 1 . 2]" 1
498 1 52 MET HA 1 53 SER H 2.496 . 3.275 2.594 2.422 2.837 . 0 0 "[ . 1 . 2]" 1
499 1 52 MET HB2 1 53 SER H 4.368 . 6.752 2.169 1.808 3.694 0.176 6 0 "[ . 1 . 2]" 1
500 1 52 MET ME 1 52 MET QG 3.256 . 4.581 2.323 2.204 2.445 . 0 0 "[ . 1 . 2]" 1
501 1 52 MET ME 1 56 GLN H 4.382 . 6.783 5.974 4.935 6.556 . 0 0 "[ . 1 . 2]" 1
502 1 52 MET ME 1 57 GLY H 4.705 . 7.472 4.501 3.328 5.199 . 0 0 "[ . 1 . 2]" 1
503 1 52 MET QG 1 53 SER H 3.791 . 5.587 3.325 2.864 3.690 . 0 0 "[ . 1 . 2]" 1
504 1 52 MET QG 1 53 SER H 3.242 . 4.556 3.008 2.786 3.183 . 0 0 "[ . 1 . 2]" 1
505 1 52 MET QG 1 57 GLY H 3.027 . 4.172 3.109 2.686 4.068 . 0 0 "[ . 1 . 2]" 1
506 1 53 SER H 1 53 SER HB2 2.535 . 3.338 2.550 2.450 2.645 . 0 0 "[ . 1 . 2]" 1
507 1 53 SER H 1 53 SER HB3 3.680 . 5.373 3.637 3.598 3.683 . 0 0 "[ . 1 . 2]" 1
508 1 53 SER H 1 55 GLU HB3 4.389 . 6.796 6.743 6.193 6.872 0.076 7 0 "[ . 1 . 2]" 1
509 1 53 SER H 1 56 GLN H 3.567 . 5.157 3.792 3.461 4.187 . 0 0 "[ . 1 . 2]" 1
510 1 53 SER H 1 56 GLN HA 4.808 . 7.697 5.583 4.985 6.470 . 0 0 "[ . 1 . 2]" 1
511 1 53 SER H 1 56 GLN HB2 3.445 . 4.928 2.755 2.069 3.861 . 0 0 "[ . 1 . 2]" 1
512 1 53 SER H 1 56 GLN QG 3.692 . 5.396 3.525 3.003 4.244 . 0 0 "[ . 1 . 2]" 1
513 1 53 SER HA 1 54 VAL H 2.738 . 3.675 2.568 2.383 2.738 . 0 0 "[ . 1 . 2]" 1
514 1 53 SER HB2 1 54 VAL H 4.062 . 6.124 3.269 2.892 3.676 . 0 0 "[ . 1 . 2]" 1
515 1 53 SER HB2 1 55 GLU H 3.658 . 5.330 3.250 2.866 3.466 . 0 0 "[ . 1 . 2]" 1
516 1 53 SER HB2 1 55 GLU HB2 2.939 . 4.018 3.357 2.801 3.759 . 0 0 "[ . 1 . 2]" 1
517 1 53 SER HB3 1 54 VAL H 2.508 . 3.294 2.266 1.993 2.497 . 0 0 "[ . 1 . 2]" 1
518 1 54 VAL H 1 54 VAL HB 2.457 . 3.212 2.607 2.404 2.723 . 0 0 "[ . 1 . 2]" 1
519 1 54 VAL H 1 54 VAL QG 2.399 . 3.118 1.975 1.831 2.284 0.138 8 0 "[ . 1 . 2]" 1
520 1 54 VAL HA 1 54 VAL HB 2.994 . 4.115 2.940 2.469 3.027 . 0 0 "[ . 1 . 2]" 1
521 1 54 VAL HA 1 54 VAL HB 3.141 . 4.374 2.728 2.328 2.863 . 0 0 "[ . 1 . 2]" 1
522 1 54 VAL HA 1 54 VAL QG 2.613 . 3.466 2.148 2.118 2.258 . 0 0 "[ . 1 . 2]" 1
523 1 54 VAL HA 1 58 LEU H 3.105 . 4.310 3.358 2.781 3.531 . 0 0 "[ . 1 . 2]" 1
524 1 54 VAL HA 1 58 LEU H 3.284 . 4.632 2.526 2.353 2.614 . 0 0 "[ . 1 . 2]" 1
525 1 54 VAL HA 1 69 PHE QE 3.606 . 5.231 5.252 5.014 5.406 0.175 15 0 "[ . 1 . 2]" 1
526 1 54 VAL HB 1 55 GLU H 2.700 . 3.611 2.706 2.333 3.808 0.197 5 0 "[ . 1 . 2]" 1
527 1 54 VAL HB 1 55 GLU H 2.339 . 3.023 2.269 2.110 2.648 . 0 0 "[ . 1 . 2]" 1
528 1 54 VAL HB 1 71 LEU QD 2.784 . 3.753 3.134 2.280 3.661 . 0 0 "[ . 1 . 2]" 1
529 1 54 VAL QG 1 55 GLU H 3.505 . 5.016 3.009 1.935 3.278 0.034 1 0 "[ . 1 . 2]" 1
530 1 54 VAL QG 1 55 GLU HA 3.246 . 4.563 3.451 2.944 3.680 . 0 0 "[ . 1 . 2]" 1
531 1 54 VAL QG 1 55 GLU QG 3.756 . 5.519 3.706 2.059 4.278 . 0 0 "[ . 1 . 2]" 1
532 1 54 VAL QG 1 58 LEU H 3.884 . 5.769 3.639 3.179 4.067 . 0 0 "[ . 1 . 2]" 1
533 1 54 VAL QG 1 58 LEU QD 3.130 . 4.354 2.223 1.781 3.283 0.125 12 0 "[ . 1 . 2]" 1
534 1 54 VAL QG 1 58 LEU QD 3.039 . 4.193 2.175 1.779 3.069 0.106 12 0 "[ . 1 . 2]" 1
535 1 54 VAL QG 1 58 LEU HG 2.458 . 3.213 3.198 2.954 3.315 0.102 2 0 "[ . 1 . 2]" 1
536 1 54 VAL QG 1 69 PHE QE 3.319 . 4.696 2.709 2.134 3.445 . 0 0 "[ . 1 . 2]" 1
537 1 55 GLU H 1 55 GLU HA 2.685 . 3.586 2.766 2.728 2.810 . 0 0 "[ . 1 . 2]" 1
538 1 55 GLU H 1 55 GLU HB2 2.715 . 3.636 2.504 2.402 2.715 . 0 0 "[ . 1 . 2]" 1
539 1 55 GLU H 1 55 GLU HB3 3.372 . 4.793 3.584 3.561 3.608 . 0 0 "[ . 1 . 2]" 1
540 1 55 GLU H 1 55 GLU QG 2.869 . 3.898 2.449 2.008 3.241 . 0 0 "[ . 1 . 2]" 1
541 1 55 GLU H 1 56 GLN H 2.751 . 3.697 2.935 2.776 3.161 . 0 0 "[ . 1 . 2]" 1
542 1 55 GLU H 1 71 LEU QD 3.821 . 5.646 4.168 3.523 4.776 . 0 0 "[ . 1 . 2]" 1
543 1 55 GLU HA 1 55 GLU HB2 2.977 . 4.084 3.015 2.999 3.027 . 0 0 "[ . 1 . 2]" 1
544 1 55 GLU HA 1 55 GLU HB3 2.689 . 3.593 2.498 2.388 2.579 . 0 0 "[ . 1 . 2]" 1
545 1 55 GLU HA 1 55 GLU QG 2.792 . 3.766 2.501 2.230 2.877 . 0 0 "[ . 1 . 2]" 1
546 1 55 GLU HA 1 56 GLN H 3.511 . 5.052 3.550 3.492 3.575 . 0 0 "[ . 1 . 2]" 1
547 1 55 GLU HA 1 58 LEU H 3.591 . 5.202 4.091 3.824 4.874 . 0 0 "[ . 1 . 2]" 1
548 1 55 GLU HA 1 58 LEU HB2 3.587 . 5.195 3.695 3.197 5.205 0.010 13 0 "[ . 1 . 2]" 1
549 1 55 GLU HA 1 58 LEU HB3 3.347 . 4.747 4.669 3.590 5.268 0.521 12 1 "[ . 1 + . 2]" 1
550 1 55 GLU HA 1 59 ARG H 3.730 . 5.469 4.303 3.760 4.833 . 0 0 "[ . 1 . 2]" 1
551 1 55 GLU HA 1 69 PHE QE 4.227 . 6.460 2.587 1.933 3.517 0.061 18 0 "[ . 1 . 2]" 1
552 1 55 GLU HB2 1 55 GLU HG3 2.270 . 2.914 1.961 1.889 2.048 . 0 0 "[ . 1 . 2]" 1
553 1 55 GLU HB2 1 56 GLN H 3.018 . 4.156 2.338 2.022 2.872 . 0 0 "[ . 1 . 2]" 1
554 1 55 GLU HB2 1 56 GLN H 2.410 . 3.136 2.127 1.936 2.350 . 0 0 "[ . 1 . 2]" 1
555 1 55 GLU HB3 1 56 GLN H 3.162 . 4.412 3.311 2.957 3.698 . 0 0 "[ . 1 . 2]" 1
556 1 55 GLU HB3 1 56 GLN HA 2.339 . 3.023 2.864 2.339 3.651 0.628 10 1 "[ . + . 2]" 1
557 1 55 GLU HB3 1 57 GLY H 3.883 . 5.768 5.459 5.156 5.798 0.030 13 0 "[ . 1 . 2]" 1
558 1 55 GLU HB3 1 59 ARG QD 3.263 . 4.594 3.787 3.065 4.668 0.074 13 0 "[ . 1 . 2]" 1
559 1 55 GLU HB3 1 69 PHE QE 4.138 . 6.278 4.289 3.123 5.484 . 0 0 "[ . 1 . 2]" 1
560 1 55 GLU QG 1 69 PHE QE 3.948 . 5.896 3.782 2.582 5.232 . 0 0 "[ . 1 . 2]" 1
561 1 55 GLU QG 1 71 LEU QD 3.021 . 4.162 3.511 2.603 4.146 . 0 0 "[ . 1 . 2]" 1
562 1 56 GLN H 1 56 GLN HA 2.671 . 3.563 2.827 2.777 2.912 . 0 0 "[ . 1 . 2]" 1
563 1 56 GLN H 1 56 GLN HA 2.536 . 3.340 2.537 2.515 2.577 . 0 0 "[ . 1 . 2]" 1
564 1 56 GLN H 1 56 GLN HG2 2.943 . 4.026 3.103 2.191 3.863 . 0 0 "[ . 1 . 2]" 1
565 1 56 GLN H 1 57 GLY H 2.541 . 3.348 2.600 2.282 2.798 . 0 0 "[ . 1 . 2]" 1
566 1 56 GLN HA 1 56 GLN QB 2.601 . 3.447 2.371 2.322 2.428 . 0 0 "[ . 1 . 2]" 1
567 1 56 GLN HA 1 56 GLN QG 2.573 . 3.401 2.632 2.427 3.007 . 0 0 "[ . 1 . 2]" 1
568 1 56 GLN HA 1 57 GLY H 3.116 . 4.330 3.526 3.495 3.559 . 0 0 "[ . 1 . 2]" 1
569 1 56 GLN HA 1 59 ARG QD 2.905 . 3.960 2.543 1.933 3.512 . 0 0 "[ . 1 . 2]" 1
570 1 56 GLN QB 1 56 GLN QG 2.062 . 2.594 2.039 1.986 2.086 . 0 0 "[ . 1 . 2]" 1
571 1 56 GLN QB 1 57 GLY H 2.890 . 3.934 2.593 2.329 2.752 . 0 0 "[ . 1 . 2]" 1
572 1 56 GLN HB2 1 57 GLY H 3.224 . 4.523 2.652 2.363 2.828 . 0 0 "[ . 1 . 2]" 1
573 1 56 GLN QG 1 57 GLY H 3.831 . 5.665 4.100 3.797 4.491 . 0 0 "[ . 1 . 2]" 1
574 1 57 GLY H 1 58 LEU H 2.680 . 3.578 2.832 2.746 2.962 . 0 0 "[ . 1 . 2]" 1
575 1 57 GLY H 1 58 LEU HB3 4.361 . 6.738 5.957 5.136 6.387 . 0 0 "[ . 1 . 2]" 1
576 1 57 GLY H 1 60 ARG QB 4.200 . 6.405 5.417 4.742 5.930 . 0 0 "[ . 1 . 2]" 1
577 1 57 GLY H 1 61 LEU QD 4.037 . 6.074 5.707 4.983 5.980 . 0 0 "[ . 1 . 2]" 1
578 1 57 GLY QA 1 58 LEU H 2.919 . 3.984 2.585 2.520 2.669 . 0 0 "[ . 1 . 2]" 1
579 1 57 GLY QA 1 60 ARG H 3.199 . 4.478 3.740 3.536 3.985 . 0 0 "[ . 1 . 2]" 1
580 1 57 GLY QA 1 60 ARG QB 3.318 . 4.694 3.383 2.912 3.886 . 0 0 "[ . 1 . 2]" 1
581 1 57 GLY QA 1 61 LEU H 3.388 . 4.823 3.975 3.727 4.451 . 0 0 "[ . 1 . 2]" 1
582 1 57 GLY QA 1 61 LEU QD 3.423 . 4.771 3.707 2.938 3.981 . 0 0 "[ . 1 . 2]" 1
583 1 58 LEU H 1 58 LEU HA 2.802 . 3.784 2.803 2.769 2.833 . 0 0 "[ . 1 . 2]" 1
584 1 58 LEU H 1 58 LEU HB2 2.640 . 3.511 2.192 2.034 2.336 . 0 0 "[ . 1 . 2]" 1
585 1 58 LEU H 1 58 LEU HB3 2.570 . 3.396 3.307 2.680 3.557 0.161 2 0 "[ . 1 . 2]" 1
586 1 58 LEU H 1 58 LEU QD 4.126 . 6.084 2.574 2.028 3.596 . 0 0 "[ . 1 . 2]" 1
587 1 58 LEU H 1 58 LEU HG 4.263 . 6.535 4.096 3.869 4.502 . 0 0 "[ . 1 . 2]" 1
588 1 58 LEU H 1 59 ARG H 2.591 . 3.430 2.702 2.571 2.792 . 0 0 "[ . 1 . 2]" 1
589 1 58 LEU H 1 61 LEU H 4.701 . 7.463 4.616 4.492 4.765 . 0 0 "[ . 1 . 2]" 1
590 1 58 LEU H 1 61 LEU QD 4.151 . 6.305 4.308 3.677 4.645 . 0 0 "[ . 1 . 2]" 1
591 1 58 LEU H 1 69 PHE QE 4.181 . 6.366 4.324 3.326 4.673 . 0 0 "[ . 1 . 2]" 1
592 1 58 LEU HA 1 58 LEU HB2 2.786 . 3.757 2.878 2.584 3.005 . 0 0 "[ . 1 . 2]" 1
593 1 58 LEU HA 1 58 LEU HB3 2.645 . 3.520 2.744 2.571 3.010 . 0 0 "[ . 1 . 2]" 1
594 1 58 LEU HA 1 58 LEU QD 2.402 . 3.123 1.895 1.840 1.954 . 0 0 "[ . 1 . 2]" 1
595 1 58 LEU HA 1 58 LEU HG 3.119 . 4.335 3.679 3.632 3.748 . 0 0 "[ . 1 . 2]" 1
596 1 58 LEU HA 1 59 ARG H 3.193 . 4.467 3.522 3.457 3.567 . 0 0 "[ . 1 . 2]" 1
597 1 58 LEU HA 1 61 LEU H 3.375 . 4.798 3.329 3.035 3.603 . 0 0 "[ . 1 . 2]" 1
598 1 58 LEU HA 1 61 LEU HB2 2.891 . 3.936 2.648 1.871 3.615 . 0 0 "[ . 1 . 2]" 1
599 1 58 LEU HA 1 61 LEU HB3 2.971 . 4.074 2.645 2.019 3.371 . 0 0 "[ . 1 . 2]" 1
600 1 58 LEU HA 1 61 LEU QD 3.233 . 4.539 2.757 2.224 3.074 . 0 0 "[ . 1 . 2]" 1
601 1 58 LEU HA 1 62 ILE H 3.761 . 5.529 3.699 3.275 4.091 . 0 0 "[ . 1 . 2]" 1
602 1 58 LEU HA 1 62 ILE MD 4.097 . 6.195 3.939 3.451 4.787 . 0 0 "[ . 1 . 2]" 1
603 1 58 LEU HA 1 62 ILE MG 4.045 . 6.090 5.812 5.456 6.157 0.067 4 0 "[ . 1 . 2]" 1
604 1 58 LEU HB2 1 58 LEU QD 2.823 . 3.819 2.327 2.269 2.433 . 0 0 "[ . 1 . 2]" 1
605 1 58 LEU HB2 1 58 LEU HG 2.726 . 3.655 2.405 2.304 2.461 . 0 0 "[ . 1 . 2]" 1
606 1 58 LEU HB2 1 59 ARG H 3.298 . 4.658 3.047 2.657 3.771 . 0 0 "[ . 1 . 2]" 1
607 1 58 LEU HB2 1 69 PHE QD 4.625 . 7.299 3.859 3.042 4.697 . 0 0 "[ . 1 . 2]" 1
608 1 58 LEU HB2 1 71 LEU QD 3.368 . 4.786 3.835 3.538 4.362 . 0 0 "[ . 1 . 2]" 1
609 1 58 LEU HB3 1 58 LEU QD 2.970 . 4.073 2.287 2.165 2.335 . 0 0 "[ . 1 . 2]" 1
610 1 58 LEU HB3 1 58 LEU QD 2.162 . 2.746 2.006 1.836 2.143 . 0 0 "[ . 1 . 2]" 1
611 1 58 LEU HB3 1 58 LEU HG 1.909 . 2.365 2.447 2.408 2.525 0.160 4 0 "[ . 1 . 2]" 1
612 1 58 LEU HB3 1 59 ARG H 2.423 . 3.157 3.147 2.446 3.785 0.628 5 2 "[ - + 1 . 2]" 1
613 1 58 LEU HB3 1 69 PHE H 3.901 . 5.803 4.864 4.336 5.392 . 0 0 "[ . 1 . 2]" 1
614 1 58 LEU HB3 1 69 PHE QD 3.480 . 4.994 3.459 2.325 3.817 . 0 0 "[ . 1 . 2]" 1
615 1 58 LEU HB3 1 106 ASN HD21 3.946 . 5.892 5.077 2.914 5.996 0.104 6 0 "[ . 1 . 2]" 1
616 1 58 LEU HB3 1 106 ASN HD22 3.673 . 5.359 4.691 2.498 5.988 0.629 17 2 "[ . - 1 . + 2]" 1
617 1 58 LEU QD 1 58 LEU HG 2.040 . 2.560 1.890 1.881 1.894 . 0 0 "[ . 1 . 2]" 1
618 1 58 LEU QD 1 62 ILE HB 3.815 . 5.634 4.104 2.666 4.897 . 0 0 "[ . 1 . 2]" 1
619 1 58 LEU QD 1 62 ILE MD 2.478 . 3.246 1.895 1.716 2.426 . 0 0 "[ . 1 . 2]" 1
620 1 58 LEU QD 1 69 PHE HB2 3.402 . 4.849 3.587 2.706 4.503 . 0 0 "[ . 1 . 2]" 1
621 1 58 LEU QD 1 69 PHE QD 4.599 . 7.119 3.259 2.580 3.940 . 0 0 "[ . 1 . 2]" 1
622 1 58 LEU QD 1 69 PHE QE 4.782 . 7.641 3.226 2.893 3.760 . 0 0 "[ . 1 . 2]" 1
623 1 58 LEU QD 1 71 LEU QD 2.871 . 3.902 2.908 2.585 3.277 . 0 0 "[ . 1 . 2]" 1
624 1 58 LEU QD 1 77 ILE MD 2.162 . 2.746 2.255 1.926 2.592 . 0 0 "[ . 1 . 2]" 1
625 1 58 LEU QD 1 77 ILE MG 2.095 . 2.644 2.421 1.993 2.652 0.008 5 0 "[ . 1 . 2]" 1
626 1 58 LEU HG 1 61 LEU HB3 3.954 . 5.908 5.850 5.451 6.085 0.177 15 0 "[ . 1 . 2]" 1
627 1 58 LEU HG 1 62 ILE HB 3.815 . 5.634 5.378 4.771 5.653 0.019 3 0 "[ . 1 . 2]" 1
628 1 58 LEU HG 1 62 ILE MD 2.897 . 3.946 3.744 3.279 4.059 0.113 6 0 "[ . 1 . 2]" 1
629 1 58 LEU HG 1 69 PHE HB2 3.222 . 4.520 4.046 3.678 4.550 0.030 18 0 "[ . 1 . 2]" 1
630 1 58 LEU HG 1 69 PHE QD 3.780 . 5.566 2.797 2.240 4.054 . 0 0 "[ . 1 . 2]" 1
631 1 58 LEU HG 1 69 PHE QE 3.744 . 5.496 3.067 2.465 4.096 . 0 0 "[ . 1 . 2]" 1
632 1 58 LEU HG 1 71 LEU QD 2.120 . 2.682 2.665 2.394 2.810 0.128 17 0 "[ . 1 . 2]" 1
633 1 58 LEU HG 1 77 ILE MD 2.658 . 3.541 3.267 2.650 3.543 0.002 17 0 "[ . 1 . 2]" 1
634 1 58 LEU HG 1 77 ILE MG 2.465 . 3.224 3.079 2.612 3.293 0.069 5 0 "[ . 1 . 2]" 1
635 1 59 ARG H 1 59 ARG HA 2.570 . 3.396 2.781 2.726 2.817 . 0 0 "[ . 1 . 2]" 1
636 1 59 ARG H 1 59 ARG HB2 2.247 . 2.878 2.450 2.303 2.568 . 0 0 "[ . 1 . 2]" 1
637 1 59 ARG H 1 59 ARG HB3 3.752 . 5.512 3.482 2.444 3.628 . 0 0 "[ . 1 . 2]" 1
638 1 59 ARG H 1 59 ARG QG 2.770 . 3.729 2.435 2.068 3.910 0.181 10 0 "[ . 1 . 2]" 1
639 1 59 ARG H 1 59 ARG HG3 3.095 . 4.292 2.506 2.088 4.392 0.100 10 0 "[ . 1 . 2]" 1
640 1 59 ARG H 1 62 ILE MD 4.085 . 6.171 5.103 4.233 6.179 0.008 11 0 "[ . 1 . 2]" 1
641 1 59 ARG H 1 62 ILE MG 4.439 . 6.902 6.823 6.366 7.028 0.126 13 0 "[ . 1 . 2]" 1
642 1 59 ARG HA 1 59 ARG HB3 2.598 . 3.442 2.574 2.472 3.020 . 0 0 "[ . 1 . 2]" 1
643 1 59 ARG HA 1 62 ILE HB 3.796 . 5.597 4.098 3.201 4.564 . 0 0 "[ . 1 . 2]" 1
644 1 59 ARG HA 1 62 ILE MD 3.871 . 5.744 4.242 2.797 5.374 . 0 0 "[ . 1 . 2]" 1
645 1 59 ARG HB2 1 59 ARG QD 2.568 . 3.393 2.280 2.155 2.449 . 0 0 "[ . 1 . 2]" 1
646 1 59 ARG HB2 1 69 PHE QD 5.020 . 8.169 6.095 4.359 7.385 . 0 0 "[ . 1 . 2]" 1
647 1 59 ARG HB3 1 59 ARG HD3 2.827 . 3.826 2.350 2.109 2.684 . 0 0 "[ . 1 . 2]" 1
648 1 59 ARG QD 1 59 ARG QG 2.287 . 2.941 2.055 1.992 2.090 . 0 0 "[ . 1 . 2]" 1
649 1 59 ARG HG2 1 69 PHE QD 4.107 . 6.215 4.017 2.867 4.876 . 0 0 "[ . 1 . 2]" 1
650 1 60 ARG H 1 60 ARG HA 2.531 . 3.332 2.871 2.837 2.885 . 0 0 "[ . 1 . 2]" 1
651 1 60 ARG H 1 60 ARG QB 2.220 . 2.836 2.304 2.216 2.486 . 0 0 "[ . 1 . 2]" 1
652 1 60 ARG H 1 60 ARG QD 4.208 . 6.421 4.231 3.694 4.861 . 0 0 "[ . 1 . 2]" 1
653 1 60 ARG H 1 60 ARG QG 3.068 . 4.245 3.271 2.154 4.015 . 0 0 "[ . 1 . 2]" 1
654 1 60 ARG H 1 61 LEU H 2.484 . 3.255 2.417 2.308 2.524 . 0 0 "[ . 1 . 2]" 1
655 1 60 ARG H 1 61 LEU HB2 4.065 . 6.131 4.333 4.076 4.647 . 0 0 "[ . 1 . 2]" 1
656 1 60 ARG HA 1 60 ARG QB 2.138 . 2.710 2.373 2.311 2.447 . 0 0 "[ . 1 . 2]" 1
657 1 60 ARG HA 1 60 ARG QD 2.973 . 4.078 3.963 2.170 4.200 0.122 16 0 "[ . 1 . 2]" 1
658 1 60 ARG HA 1 60 ARG QG 2.600 . 3.445 2.460 2.298 3.036 . 0 0 "[ . 1 . 2]" 1
659 1 60 ARG HA 1 61 LEU H 2.438 . 3.181 2.705 2.674 2.739 . 0 0 "[ . 1 . 2]" 1
660 1 60 ARG HA 1 62 ILE H 3.287 . 4.638 4.529 4.185 4.721 0.083 8 0 "[ . 1 . 2]" 1
661 1 60 ARG HB2 1 60 ARG HD2 2.782 . 3.749 2.351 2.143 2.897 . 0 0 "[ . 1 . 2]" 1
662 1 60 ARG HB2 1 60 ARG HD2 2.306 . 2.971 2.213 2.013 2.792 . 0 0 "[ . 1 . 2]" 1
663 1 60 ARG QB 1 61 LEU H 2.521 . 3.315 2.821 2.468 3.151 . 0 0 "[ . 1 . 2]" 1
664 1 60 ARG QG 1 61 LEU H 3.662 . 5.339 3.658 3.338 3.937 . 0 0 "[ . 1 . 2]" 1
665 1 61 LEU H 1 61 LEU HA 2.674 . 3.568 2.827 2.780 2.901 . 0 0 "[ . 1 . 2]" 1
666 1 61 LEU H 1 61 LEU HB2 2.221 . 2.838 2.250 2.026 2.673 . 0 0 "[ . 1 . 2]" 1
667 1 61 LEU H 1 61 LEU HB3 2.857 . 3.877 2.893 2.415 3.435 . 0 0 "[ . 1 . 2]" 1
668 1 61 LEU H 1 61 LEU QD 3.647 . 5.310 3.640 3.404 3.761 . 0 0 "[ . 1 . 2]" 1
669 1 61 LEU H 1 62 ILE H 2.488 . 3.262 2.679 2.413 2.896 . 0 0 "[ . 1 . 2]" 1
670 1 61 LEU H 1 62 ILE HG12 4.389 . 6.797 5.811 5.455 6.305 . 0 0 "[ . 1 . 2]" 1
671 1 61 LEU HA 1 61 LEU QD 2.463 . 3.221 2.291 1.915 2.944 . 0 0 "[ . 1 . 2]" 1
672 1 61 LEU HA 1 62 ILE H 3.140 . 4.372 3.561 3.503 3.590 . 0 0 "[ . 1 . 2]" 1
673 1 61 LEU HB2 1 62 ILE H 2.997 . 4.120 3.442 2.710 4.072 . 0 0 "[ . 1 . 2]" 1
674 1 61 LEU HB2 1 62 ILE HA 4.365 . 6.746 5.263 4.691 5.672 . 0 0 "[ . 1 . 2]" 1
675 1 61 LEU HB2 1 62 ILE MD 4.122 . 6.246 5.326 4.543 6.161 . 0 0 "[ . 1 . 2]" 1
676 1 61 LEU HB3 1 61 LEU QD 2.673 . 3.566 2.165 2.106 2.340 . 0 0 "[ . 1 . 2]" 1
677 1 61 LEU HB3 1 62 ILE H 2.745 . 3.687 2.729 2.379 3.147 . 0 0 "[ . 1 . 2]" 1
678 1 61 LEU HB3 1 62 ILE HA 3.659 . 5.332 3.981 3.671 4.397 . 0 0 "[ . 1 . 2]" 1
679 1 61 LEU HB3 1 62 ILE HB 3.772 . 5.550 4.753 4.339 5.280 . 0 0 "[ . 1 . 2]" 1
680 1 61 LEU HB3 1 62 ILE MD 3.584 . 5.190 4.347 3.987 4.708 . 0 0 "[ . 1 . 2]" 1
681 1 61 LEU QD 1 61 LEU HG 2.054 . 2.581 1.895 1.891 1.900 . 0 0 "[ . 1 . 2]" 1
682 1 62 ILE H 1 62 ILE HA 2.949 . 4.036 2.888 2.858 2.915 . 0 0 "[ . 1 . 2]" 1
683 1 62 ILE H 1 62 ILE HB 2.207 . 2.816 2.534 2.367 2.721 . 0 0 "[ . 1 . 2]" 1
684 1 62 ILE H 1 62 ILE MD 3.751 . 5.510 3.684 3.339 4.033 . 0 0 "[ . 1 . 2]" 1
685 1 62 ILE H 1 62 ILE HG12 3.595 . 5.211 3.542 3.214 3.779 . 0 0 "[ . 1 . 2]" 1
686 1 62 ILE H 1 62 ILE HG13 2.357 . 3.052 2.321 1.867 2.788 . 0 0 "[ . 1 . 2]" 1
687 1 62 ILE H 1 62 ILE MG 3.473 . 4.981 3.775 3.723 3.806 . 0 0 "[ . 1 . 2]" 1
688 1 62 ILE H 1 63 GLY H 2.628 . 3.491 2.703 2.495 2.808 . 0 0 "[ . 1 . 2]" 1
689 1 62 ILE H 1 106 ASN HB3 4.056 . 6.113 4.710 3.794 6.168 0.055 10 0 "[ . 1 . 2]" 1
690 1 62 ILE HA 1 62 ILE HB 2.841 . 3.850 3.012 2.981 3.027 . 0 0 "[ . 1 . 2]" 1
691 1 62 ILE HA 1 62 ILE MD 3.899 . 5.799 3.833 3.689 3.958 . 0 0 "[ . 1 . 2]" 1
692 1 62 ILE HA 1 62 ILE HG12 2.579 . 3.410 2.553 2.278 2.803 . 0 0 "[ . 1 . 2]" 1
693 1 62 ILE HA 1 62 ILE HG13 2.885 . 3.926 3.033 2.899 3.263 . 0 0 "[ . 1 . 2]" 1
694 1 62 ILE HA 1 62 ILE MG 2.658 . 3.541 2.398 2.253 2.567 . 0 0 "[ . 1 . 2]" 1
695 1 62 ILE HA 1 63 GLY H 3.421 . 4.884 3.554 2.949 3.613 . 0 0 "[ . 1 . 2]" 1
696 1 62 ILE HA 1 106 ASN HB3 3.667 . 5.348 5.119 4.172 5.473 0.125 13 0 "[ . 1 . 2]" 1
697 1 62 ILE HA 1 106 ASN HD21 4.217 . 6.440 5.273 4.674 6.521 0.081 8 0 "[ . 1 . 2]" 1
698 1 62 ILE HB 1 62 ILE MD 2.168 . 2.755 2.430 2.320 2.522 . 0 0 "[ . 1 . 2]" 1
699 1 62 ILE HB 1 62 ILE MG 1.897 . 2.347 2.128 2.121 2.144 . 0 0 "[ . 1 . 2]" 1
700 1 62 ILE HB 1 63 GLY H 2.497 . 3.276 2.294 1.978 3.716 0.440 15 0 "[ . 1 . 2]" 1
701 1 62 ILE HB 1 69 PHE QD 3.995 . 5.990 4.863 4.153 5.465 . 0 0 "[ . 1 . 2]" 1
702 1 62 ILE MD 1 62 ILE HG12 2.193 . 2.794 2.119 2.110 2.125 . 0 0 "[ . 1 . 2]" 1
703 1 62 ILE MD 1 62 ILE HG13 1.983 . 2.475 2.121 2.117 2.125 . 0 0 "[ . 1 . 2]" 1
704 1 62 ILE MD 1 62 ILE MG 1.918 . 2.378 1.935 1.766 2.124 . 0 0 "[ . 1 . 2]" 1
705 1 62 ILE MD 1 69 PHE H 4.027 . 6.054 3.917 3.493 4.504 . 0 0 "[ . 1 . 2]" 1
706 1 62 ILE MD 1 69 PHE HB2 2.881 . 3.919 3.454 2.609 4.072 0.153 4 0 "[ . 1 . 2]" 1
707 1 62 ILE MD 1 69 PHE HB3 2.528 . 3.327 2.616 1.974 3.306 . 0 0 "[ . 1 . 2]" 1
708 1 62 ILE MD 1 69 PHE QD 3.558 . 4.865 3.700 2.714 4.344 . 0 0 "[ . 1 . 2]" 1
709 1 62 ILE MD 1 69 PHE QE 3.888 . 5.777 4.784 3.522 5.382 . 0 0 "[ . 1 . 2]" 1
710 1 62 ILE HG12 1 62 ILE MG 2.705 . 3.619 2.380 2.282 2.496 . 0 0 "[ . 1 . 2]" 1
711 1 62 ILE HG13 1 62 ILE MG 2.837 . 3.843 3.194 3.184 3.204 . 0 0 "[ . 1 . 2]" 1
712 1 62 ILE HG13 1 63 GLY H 4.079 . 6.159 4.159 3.752 4.573 . 0 0 "[ . 1 . 2]" 1
713 1 62 ILE HG13 1 69 PHE QD 5.045 . 8.226 5.658 4.648 6.371 . 0 0 "[ . 1 . 2]" 1
714 1 62 ILE HG13 1 69 PHE QD 4.642 . 7.335 4.844 4.218 5.180 . 0 0 "[ . 1 . 2]" 1
715 1 62 ILE MG 1 63 GLY H 3.206 . 4.491 3.064 2.744 4.141 . 0 0 "[ . 1 . 2]" 1
716 1 62 ILE MG 1 106 ASN HB3 2.859 . 3.881 2.971 1.974 3.901 0.020 8 0 "[ . 1 . 2]" 1
717 1 62 ILE MG 1 106 ASN HD21 3.575 . 5.173 3.073 2.164 3.829 . 0 0 "[ . 1 . 2]" 1
718 1 66 PRO HA 1 67 VAL H 2.250 . 2.883 2.201 2.138 2.268 . 0 0 "[ . 1 . 2]" 1
719 1 66 PRO HB2 1 67 VAL H 4.159 . 6.321 4.093 3.860 4.273 . 0 0 "[ . 1 . 2]" 1
720 1 66 PRO HB3 1 67 VAL H 3.810 . 5.625 4.089 3.627 4.362 . 0 0 "[ . 1 . 2]" 1
721 1 67 VAL H 1 67 VAL HA 2.737 . 3.673 2.909 2.870 2.937 . 0 0 "[ . 1 . 2]" 1
722 1 67 VAL H 1 67 VAL HB 2.514 . 3.304 3.148 2.863 3.388 0.084 2 0 "[ . 1 . 2]" 1
723 1 67 VAL H 1 67 VAL QG 2.566 . 3.389 2.547 2.368 2.854 . 0 0 "[ . 1 . 2]" 1
724 1 67 VAL H 1 68 ALA HA 3.375 . 4.799 4.526 4.396 4.622 . 0 0 "[ . 1 . 2]" 1
725 1 67 VAL H 1 68 ALA MB 3.481 . 4.996 5.033 4.827 5.138 0.142 4 0 "[ . 1 . 2]" 1
726 1 67 VAL HA 1 67 VAL QG 3.420 . 4.882 2.206 2.110 2.297 . 0 0 "[ . 1 . 2]" 1
727 1 67 VAL HA 1 68 ALA H 2.171 . 2.760 2.426 2.264 2.546 . 0 0 "[ . 1 . 2]" 1
728 1 67 VAL HA 1 69 PHE H 4.059 . 6.118 6.090 5.935 6.288 0.170 12 0 "[ . 1 . 2]" 1
729 1 67 VAL HA 1 80 SER H 4.026 . 6.052 5.720 4.524 6.131 0.079 7 0 "[ . 1 . 2]" 1
730 1 67 VAL HB 1 67 VAL QG 2.114 . 2.673 1.893 1.888 1.897 . 0 0 "[ . 1 . 2]" 1
731 1 67 VAL HB 1 68 ALA MB 4.205 . 6.416 4.984 4.632 5.325 . 0 0 "[ . 1 . 2]" 1
732 1 67 VAL QG 1 68 ALA H 2.535 . 3.338 1.954 1.763 2.349 0.200 7 0 "[ . 1 . 2]" 1
733 1 67 VAL QG 1 69 PHE H 3.942 . 5.884 4.327 3.584 5.100 . 0 0 "[ . 1 . 2]" 1
734 1 67 VAL QG 1 79 LEU HA 3.557 . 5.138 3.532 3.056 3.811 . 0 0 "[ . 1 . 2]" 1
735 1 67 VAL QG 1 80 SER H 3.098 . 4.298 3.279 2.332 3.962 . 0 0 "[ . 1 . 2]" 1
736 1 67 VAL QG 1 82 LEU H 4.217 . 6.440 3.767 2.730 4.836 . 0 0 "[ . 1 . 2]" 1
737 1 68 ALA H 1 68 ALA HA 2.688 . 3.591 2.939 2.915 2.951 . 0 0 "[ . 1 . 2]" 1
738 1 68 ALA H 1 68 ALA MB 2.452 . 3.204 2.389 2.287 2.479 . 0 0 "[ . 1 . 2]" 1
739 1 68 ALA H 1 79 LEU QD 3.476 . 4.987 3.548 2.593 4.805 . 0 0 "[ . 1 . 2]" 1
740 1 68 ALA H 1 80 SER H 2.668 . 3.558 3.508 2.876 3.735 0.177 9 0 "[ . 1 . 2]" 1
741 1 68 ALA H 1 82 LEU H 3.152 . 4.394 3.089 2.200 4.017 . 0 0 "[ . 1 . 2]" 1
742 1 68 ALA H 1 81 ARG HA 2.970 . 4.073 3.458 2.807 4.076 0.003 18 0 "[ . 1 . 2]" 1
743 1 68 ALA H 1 82 LEU QD 3.129 . 4.353 3.806 2.631 4.345 . 0 0 "[ . 1 . 2]" 1
744 1 68 ALA HA 1 68 ALA MB 2.993 . 4.113 2.124 2.118 2.133 . 0 0 "[ . 1 . 2]" 1
745 1 68 ALA HA 1 69 PHE H 2.229 . 2.850 2.149 2.095 2.211 . 0 0 "[ . 1 . 2]" 1
746 1 68 ALA MB 1 69 PHE H 3.006 . 4.136 3.075 2.805 3.242 . 0 0 "[ . 1 . 2]" 1
747 1 68 ALA MB 1 79 LEU HG 3.650 . 5.315 5.202 4.497 5.689 0.374 17 0 "[ . 1 . 2]" 1
748 1 68 ALA MB 1 80 SER H 3.248 . 4.567 3.335 2.682 3.752 . 0 0 "[ . 1 . 2]" 1
749 1 68 ALA MB 1 80 SER QB 3.233 . 4.540 2.964 2.152 4.157 . 0 0 "[ . 1 . 2]" 1
750 1 68 ALA MB 1 81 ARG HA 3.388 . 4.823 4.064 2.984 4.841 0.018 18 0 "[ . 1 . 2]" 1
751 1 68 ALA MB 1 81 ARG HB3 3.990 . 5.980 5.526 4.893 6.100 0.120 7 0 "[ . 1 . 2]" 1
752 1 68 ALA MB 1 82 LEU H 2.999 . 4.123 2.966 2.312 4.152 0.029 14 0 "[ . 1 . 2]" 1
753 1 68 ALA MB 1 82 LEU QB 2.226 . 2.845 2.273 1.821 2.881 0.036 15 0 "[ . 1 . 2]" 1
754 1 68 ALA MB 1 82 LEU QD 1.790 . 2.190 1.959 1.757 2.273 0.083 16 0 "[ . 1 . 2]" 1
755 1 69 PHE H 1 69 PHE HA 2.859 . 3.881 2.935 2.901 2.946 . 0 0 "[ . 1 . 2]" 1
756 1 69 PHE H 1 69 PHE QB 3.042 . 4.199 2.946 2.782 3.190 . 0 0 "[ . 1 . 2]" 1
757 1 69 PHE H 1 69 PHE QD 3.777 . 5.560 2.262 1.948 3.144 0.051 2 0 "[ . 1 . 2]" 1
758 1 69 PHE HA 1 69 PHE HB2 2.428 . 3.165 2.446 2.337 2.532 . 0 0 "[ . 1 . 2]" 1
759 1 69 PHE HA 1 69 PHE QD 5.072 . 8.268 3.720 3.665 3.745 . 0 0 "[ . 1 . 2]" 1
760 1 69 PHE HA 1 70 ARG H 2.271 . 2.916 2.167 2.091 2.390 . 0 0 "[ . 1 . 2]" 1
761 1 69 PHE HA 1 79 LEU HA 2.770 . 3.729 2.218 1.882 2.609 . 0 0 "[ . 1 . 2]" 1
762 1 69 PHE HA 1 79 LEU QD 2.891 . 3.935 2.933 2.058 3.617 . 0 0 "[ . 1 . 2]" 1
763 1 69 PHE HA 1 80 SER H 3.307 . 4.674 3.212 2.746 3.939 . 0 0 "[ . 1 . 2]" 1
764 1 69 PHE QB 1 79 LEU QD 2.519 . 3.312 2.548 1.818 3.250 . 0 0 "[ . 1 . 2]" 1
765 1 69 PHE QB 1 80 SER H 4.614 . 7.275 4.431 3.735 5.133 . 0 0 "[ . 1 . 2]" 1
766 1 69 PHE HB2 1 69 PHE QD 3.157 . 4.340 2.317 2.249 2.583 . 0 0 "[ . 1 . 2]" 1
767 1 69 PHE HB2 1 70 ARG H 2.870 . 3.900 3.194 2.669 3.500 . 0 0 "[ . 1 . 2]" 1
768 1 69 PHE QD 1 70 ARG H 4.826 . 7.737 4.236 3.110 4.600 . 0 0 "[ . 1 . 2]" 1
769 1 69 PHE QD 1 71 LEU H 4.829 . 7.744 4.317 2.526 4.855 . 0 0 "[ . 1 . 2]" 1
770 1 69 PHE QD 1 71 LEU QD 4.162 . 5.886 2.249 2.015 3.068 . 0 0 "[ . 1 . 2]" 1
771 1 69 PHE QE 1 71 LEU HB3 4.393 . 6.805 5.452 4.174 6.748 . 0 0 "[ . 1 . 2]" 1
772 1 69 PHE QE 1 71 LEU QD 3.450 . 4.937 2.070 1.723 2.514 0.240 9 0 "[ . 1 . 2]" 1
773 1 70 ARG H 1 70 ARG HA 2.780 . 3.746 2.931 2.899 2.946 . 0 0 "[ . 1 . 2]" 1
774 1 70 ARG H 1 70 ARG QB 2.855 . 3.874 2.533 2.286 3.082 . 0 0 "[ . 1 . 2]" 1
775 1 70 ARG H 1 70 ARG HG2 3.376 . 4.801 3.591 2.066 4.734 . 0 0 "[ . 1 . 2]" 1
776 1 70 ARG H 1 70 ARG HG3 4.126 . 6.254 3.608 2.707 4.617 . 0 0 "[ . 1 . 2]" 1
777 1 70 ARG H 1 71 LEU H 3.606 . 5.231 4.288 4.029 4.518 . 0 0 "[ . 1 . 2]" 1
778 1 70 ARG H 1 78 VAL HB 3.588 . 5.197 4.053 3.158 5.377 0.180 13 0 "[ . 1 . 2]" 1
779 1 70 ARG H 1 79 LEU HA 3.699 . 5.410 3.310 2.778 3.538 . 0 0 "[ . 1 . 2]" 1
780 1 70 ARG H 1 79 LEU QD 3.765 . 5.537 4.343 3.527 5.102 . 0 0 "[ . 1 . 2]" 1
781 1 70 ARG HA 1 71 LEU H 2.229 . 2.850 2.127 2.088 2.176 . 0 0 "[ . 1 . 2]" 1
782 1 70 ARG QB 1 70 ARG HD3 2.917 . 3.980 2.438 2.276 2.942 . 0 0 "[ . 1 . 2]" 1
783 1 70 ARG QB 1 70 ARG HG3 2.255 . 2.891 2.318 2.156 2.407 . 0 0 "[ . 1 . 2]" 1
784 1 70 ARG QB 1 71 LEU H 3.585 . 5.191 3.500 2.991 3.914 . 0 0 "[ . 1 . 2]" 1
785 1 70 ARG HB3 1 71 LEU H 2.485 . 3.257 2.458 2.372 2.523 . 0 0 "[ . 1 . 2]" 1
786 1 70 ARG HG2 1 71 LEU H 3.532 . 5.091 4.505 3.305 5.319 0.228 19 0 "[ . 1 . 2]" 1
787 1 70 ARG HG3 1 71 LEU H 2.880 . 3.917 3.419 3.059 3.659 . 0 0 "[ . 1 . 2]" 1
788 1 71 LEU H 1 71 LEU HB2 2.928 . 4.000 2.492 2.384 2.569 . 0 0 "[ . 1 . 2]" 1
789 1 71 LEU H 1 71 LEU HB3 3.365 . 4.780 3.629 3.593 3.726 . 0 0 "[ . 1 . 2]" 1
790 1 71 LEU H 1 71 LEU QD 4.065 . 4.650 2.943 1.902 3.506 0.097 3 0 "[ . 1 . 2]" 1
791 1 71 LEU H 1 71 LEU QD 3.896 . 5.793 2.807 1.896 3.215 0.103 3 0 "[ . 1 . 2]" 1
792 1 71 LEU HA 1 72 GLN H 2.201 . 2.807 2.174 2.121 2.210 . 0 0 "[ . 1 . 2]" 1
793 1 71 LEU HB2 1 71 LEU QD 2.703 . 3.616 2.242 2.181 2.313 . 0 0 "[ . 1 . 2]" 1
794 1 71 LEU HB2 1 72 GLN H 3.624 . 5.266 4.393 4.270 4.435 . 0 0 "[ . 1 . 2]" 1
795 1 71 LEU HB3 1 71 LEU QD 2.665 . 3.553 2.071 1.959 2.374 . 0 0 "[ . 1 . 2]" 1
796 1 71 LEU HB3 1 72 GLN H 3.487 . 5.007 3.786 3.354 3.877 . 0 0 "[ . 1 . 2]" 1
797 1 71 LEU QD 1 72 GLN H 3.734 . 5.476 3.773 3.429 3.975 . 0 0 "[ . 1 . 2]" 1
798 1 72 GLN H 1 72 GLN HA 2.876 . 3.910 2.894 2.843 2.945 . 0 0 "[ . 1 . 2]" 1
799 1 72 GLN H 1 72 GLN QB 2.566 . 3.389 2.391 2.037 2.608 . 0 0 "[ . 1 . 2]" 1
800 1 72 GLN H 1 72 GLN HG2 2.665 . 3.552 3.190 2.105 3.817 0.265 1 0 "[ . 1 . 2]" 1
801 1 72 GLN H 1 72 GLN HG3 3.061 . 4.232 3.230 2.355 4.390 0.158 10 0 "[ . 1 . 2]" 1
802 1 72 GLN H 1 76 GLN H 3.168 . 4.423 3.434 3.045 4.032 . 0 0 "[ . 1 . 2]" 1
803 1 72 GLN H 1 76 GLN QB 3.623 . 5.264 4.094 3.258 5.381 0.117 9 0 "[ . 1 . 2]" 1
804 1 72 GLN QB 1 76 GLN H 2.895 . 3.943 2.707 1.831 3.845 0.016 9 0 "[ . 1 . 2]" 1
805 1 72 GLN QB 1 77 ILE H 5.279 . 8.763 5.270 4.863 6.441 . 0 0 "[ . 1 . 2]" 1
806 1 73 PRO HA 1 73 PRO HG2 3.185 . 4.453 3.908 3.835 4.008 . 0 0 "[ . 1 . 2]" 1
807 1 73 PRO HA 1 74 GLN H 2.917 . 3.981 3.404 3.201 3.561 . 0 0 "[ . 1 . 2]" 1
808 1 73 PRO HA 1 75 GLY H 3.310 . 4.680 3.427 3.102 4.229 . 0 0 "[ . 1 . 2]" 1
809 1 73 PRO QB 1 74 GLN H 3.573 . 5.169 3.239 2.317 3.662 . 0 0 "[ . 1 . 2]" 1
810 1 73 PRO HB2 1 73 PRO HG3 2.140 . 2.713 2.893 2.654 2.998 0.285 9 0 "[ . 1 . 2]" 1
811 1 73 PRO HD2 1 73 PRO HG2 2.725 . 3.653 2.313 2.294 2.321 . 0 0 "[ . 1 . 2]" 1
812 1 73 PRO HD2 1 73 PRO HG3 2.789 . 3.761 2.900 2.683 2.995 . 0 0 "[ . 1 . 2]" 1
813 1 73 PRO HD3 1 73 PRO HG3 2.639 . 3.509 2.309 2.291 2.314 . 0 0 "[ . 1 . 2]" 1
814 1 74 GLN H 1 74 GLN HA 2.837 . 3.843 2.883 2.830 2.941 . 0 0 "[ . 1 . 2]" 1
815 1 74 GLN H 1 74 GLN HG2 2.951 . 4.040 3.196 2.060 3.816 . 0 0 "[ . 1 . 2]" 1
816 1 74 GLN H 1 74 GLN HG3 3.122 . 4.341 2.761 2.023 3.851 . 0 0 "[ . 1 . 2]" 1
817 1 74 GLN H 1 75 GLY H 2.981 . 4.092 2.518 2.377 2.709 . 0 0 "[ . 1 . 2]" 1
818 1 74 GLN HA 1 74 GLN HG2 2.637 . 3.506 2.765 2.417 3.635 0.129 9 0 "[ . 1 . 2]" 1
819 1 74 GLN HA 1 75 GLY H 2.970 . 4.073 3.241 2.916 3.432 . 0 0 "[ . 1 . 2]" 1
820 1 74 GLN HG2 1 75 GLY H 4.142 . 6.287 4.972 4.238 5.272 . 0 0 "[ . 1 . 2]" 1
821 1 74 GLN HG3 1 75 GLY H 4.396 . 6.812 4.810 4.088 5.646 . 0 0 "[ . 1 . 2]" 1
822 1 75 GLY H 1 75 GLY HA2 2.687 . 3.589 2.404 2.293 2.950 . 0 0 "[ . 1 . 2]" 1
823 1 75 GLY H 1 75 GLY HA3 2.493 . 3.270 2.870 2.502 2.948 . 0 0 "[ . 1 . 2]" 1
824 1 75 GLY H 1 76 GLN H 2.519 . 3.312 2.459 2.091 3.398 0.086 1 0 "[ . 1 . 2]" 1
825 1 75 GLY HA2 1 76 GLN H 3.460 . 4.956 2.909 2.699 3.376 . 0 0 "[ . 1 . 2]" 1
826 1 75 GLY HA3 1 76 GLN H 2.956 . 4.048 3.395 2.147 3.573 . 0 0 "[ . 1 . 2]" 1
827 1 76 GLN H 1 76 GLN HA 2.930 . 4.003 2.935 2.904 2.945 . 0 0 "[ . 1 . 2]" 1
828 1 76 GLN H 1 76 GLN QB 2.794 . 3.770 2.708 2.521 3.174 . 0 0 "[ . 1 . 2]" 1
829 1 76 GLN H 1 76 GLN QG 2.966 . 4.065 3.053 2.368 3.903 . 0 0 "[ . 1 . 2]" 1
830 1 76 GLN H 1 77 ILE H 4.097 . 6.195 4.312 4.113 4.417 . 0 0 "[ . 1 . 2]" 1
831 1 76 GLN H 1 77 ILE MD 4.301 . 6.613 6.064 5.760 6.638 0.025 1 0 "[ . 1 . 2]" 1
832 1 76 GLN HA 1 77 ILE H 2.226 . 2.845 2.183 2.118 2.417 . 0 0 "[ . 1 . 2]" 1
833 1 76 GLN QB 1 77 ILE H 2.900 . 3.951 2.994 2.298 3.392 . 0 0 "[ . 1 . 2]" 1
834 1 76 GLN QB 1 77 ILE MG 3.808 . 5.621 5.402 5.149 5.566 . 0 0 "[ . 1 . 2]" 1
835 1 76 GLN QG 1 77 ILE H 3.399 . 4.843 4.040 3.212 4.538 . 0 0 "[ . 1 . 2]" 1
836 1 77 ILE H 1 77 ILE HB 2.501 . 3.283 2.619 2.541 2.728 . 0 0 "[ . 1 . 2]" 1
837 1 77 ILE H 1 77 ILE MD 3.323 . 4.703 3.849 3.642 4.001 . 0 0 "[ . 1 . 2]" 1
838 1 77 ILE H 1 77 ILE MG 3.683 . 5.378 3.839 3.800 3.897 . 0 0 "[ . 1 . 2]" 1
839 1 77 ILE HA 1 78 VAL H 2.320 . 2.993 2.167 2.145 2.200 . 0 0 "[ . 1 . 2]" 1
840 1 77 ILE HB 1 77 ILE MD 2.162 . 2.746 2.433 2.406 2.463 . 0 0 "[ . 1 . 2]" 1
841 1 77 ILE HB 1 77 ILE MG 2.192 . 2.792 2.130 2.127 2.134 . 0 0 "[ . 1 . 2]" 1
842 1 77 ILE HB 1 78 VAL H 3.645 . 5.306 4.321 4.152 4.387 . 0 0 "[ . 1 . 2]" 1
843 1 77 ILE MG 1 78 VAL H 2.955 . 4.047 3.100 2.800 3.289 . 0 0 "[ . 1 . 2]" 1
844 1 78 VAL H 1 78 VAL HB 3.032 . 4.181 2.915 2.496 3.850 . 0 0 "[ . 1 . 2]" 1
845 1 78 VAL H 1 78 VAL QG 3.463 . 3.744 2.325 2.009 2.633 . 0 0 "[ . 1 . 2]" 1
846 1 78 VAL H 1 79 LEU H 3.383 . 4.814 4.378 4.193 4.509 . 0 0 "[ . 1 . 2]" 1
847 1 78 VAL HA 1 79 LEU H 2.405 . 3.128 2.186 2.132 2.467 . 0 0 "[ . 1 . 2]" 1
848 1 78 VAL QG 1 79 LEU H 2.818 . 3.810 2.831 2.282 3.373 . 0 0 "[ . 1 . 2]" 1
849 1 78 VAL QG 1 80 SER H 3.679 . 5.371 4.603 4.086 5.222 . 0 0 "[ . 1 . 2]" 1
850 1 79 LEU H 1 79 LEU HB2 3.359 . 4.769 2.539 2.301 2.960 . 0 0 "[ . 1 . 2]" 1
851 1 79 LEU H 1 79 LEU HB3 2.704 . 3.618 2.893 2.458 3.691 0.073 15 0 "[ . 1 . 2]" 1
852 1 79 LEU H 1 79 LEU QD 2.976 . 4.083 3.445 2.220 3.838 . 0 0 "[ . 1 . 2]" 1
853 1 79 LEU H 1 79 LEU HG 3.965 . 5.930 4.401 3.905 4.673 . 0 0 "[ . 1 . 2]" 1
854 1 79 LEU HA 1 79 LEU HB2 2.983 . 4.095 2.668 2.461 3.007 . 0 0 "[ . 1 . 2]" 1
855 1 79 LEU HA 1 79 LEU QD 2.391 . 3.106 2.322 1.928 2.956 . 0 0 "[ . 1 . 2]" 1
856 1 79 LEU HA 1 79 LEU HG 3.123 . 4.343 2.741 2.350 3.639 . 0 0 "[ . 1 . 2]" 1
857 1 79 LEU HA 1 80 SER H 2.131 . 2.699 2.233 2.134 2.332 . 0 0 "[ . 1 . 2]" 1
858 1 79 LEU HB2 1 79 LEU QD 2.442 . 3.187 2.142 2.093 2.261 . 0 0 "[ . 1 . 2]" 1
859 1 79 LEU HB2 1 80 SER H 3.044 . 4.202 4.159 3.660 4.371 0.169 13 0 "[ . 1 . 2]" 1
860 1 79 LEU HB3 1 79 LEU QD 2.530 . 3.330 2.204 2.094 2.431 . 0 0 "[ . 1 . 2]" 1
861 1 79 LEU HB3 1 80 SER H 3.898 . 5.798 3.591 2.312 4.225 . 0 0 "[ . 1 . 2]" 1
862 1 79 LEU QD 1 79 LEU HG 1.929 . 2.394 1.890 1.881 1.895 . 0 0 "[ . 1 . 2]" 1
863 1 79 LEU QD 1 80 SER H 3.787 . 4.276 2.665 1.807 3.973 0.188 7 0 "[ . 1 . 2]" 1
864 1 79 LEU QD 1 106 ASN HD21 3.274 . 4.614 3.320 1.928 5.076 0.462 20 0 "[ . 1 . 2]" 1
865 1 79 LEU QD 1 106 ASN HD22 4.133 . 6.268 3.602 2.112 4.848 . 0 0 "[ . 1 . 2]" 1
866 1 79 LEU HG 1 80 SER H 3.173 . 4.431 3.062 2.109 4.290 . 0 0 "[ . 1 . 2]" 1
867 1 80 SER H 1 80 SER HA 2.966 . 4.066 2.918 2.859 2.945 . 0 0 "[ . 1 . 2]" 1
868 1 80 SER H 1 80 SER HB2 3.266 . 4.600 3.035 2.592 3.839 . 0 0 "[ . 1 . 2]" 1
869 1 80 SER HA 1 81 ARG H 2.536 . 3.340 2.300 2.174 2.530 . 0 0 "[ . 1 . 2]" 1
870 1 80 SER HA 1 82 LEU H 4.660 . 7.375 5.251 4.653 6.496 . 0 0 "[ . 1 . 2]" 1
871 1 80 SER HB3 1 81 ARG H 2.521 . 3.316 3.059 2.284 4.102 0.786 13 3 "[ * . 1 + - 2]" 1
872 1 81 ARG H 1 81 ARG HA 2.830 . 3.831 2.908 2.877 2.944 . 0 0 "[ . 1 . 2]" 1
873 1 81 ARG H 1 81 ARG HB2 2.266 . 2.908 2.798 2.335 3.691 0.783 14 3 "[ * 1 +. - 2]" 1
874 1 81 ARG H 1 81 ARG HB3 2.672 . 3.565 2.893 2.433 3.618 0.053 16 0 "[ . 1 . 2]" 1
875 1 81 ARG H 1 81 ARG QD 4.655 . 7.364 4.331 3.531 4.998 . 0 0 "[ . 1 . 2]" 1
876 1 81 ARG H 1 82 LEU QD 3.384 . 4.815 3.825 2.780 4.830 0.015 15 0 "[ . 1 . 2]" 1
877 1 81 ARG HA 1 81 ARG HB2 2.509 . 3.296 2.350 2.121 2.689 . 0 0 "[ . 1 . 2]" 1
878 1 81 ARG HA 1 81 ARG QD 3.302 . 4.665 3.582 1.923 4.556 0.016 16 0 "[ . 1 . 2]" 1
879 1 81 ARG HA 1 82 LEU H 2.127 . 2.692 2.279 2.141 2.500 . 0 0 "[ . 1 . 2]" 1
880 1 81 ARG HA 1 82 LEU QD 2.841 . 3.850 2.096 1.891 3.282 . 0 0 "[ . 1 . 2]" 1
881 1 81 ARG HB2 1 81 ARG QD 2.900 . 3.951 2.731 2.326 3.538 . 0 0 "[ . 1 . 2]" 1
882 1 81 ARG HB2 1 82 LEU H 3.502 . 5.035 4.356 2.401 4.596 . 0 0 "[ . 1 . 2]" 1
883 1 81 ARG HB3 1 82 LEU H 3.556 . 5.137 4.314 3.765 4.547 . 0 0 "[ . 1 . 2]" 1
884 1 81 ARG QD 1 82 LEU H 4.310 . 6.632 4.897 2.949 6.061 . 0 0 "[ . 1 . 2]" 1
885 1 81 ARG QD 1 82 LEU QD 4.432 . 6.888 5.400 3.983 6.383 . 0 0 "[ . 1 . 2]" 1
886 1 82 LEU H 1 82 LEU QB 2.505 . 3.289 2.407 2.133 3.111 . 0 0 "[ . 1 . 2]" 1
887 1 82 LEU H 1 82 LEU QD 3.028 . 4.174 2.626 1.845 3.559 0.037 11 0 "[ . 1 . 2]" 1
888 1 82 LEU HA 1 82 LEU QB 2.470 . 3.233 2.397 2.158 2.521 . 0 0 "[ . 1 . 2]" 1
889 1 82 LEU HA 1 82 LEU QD 2.610 . 3.461 2.373 1.869 3.361 . 0 0 "[ . 1 . 2]" 1
890 1 82 LEU HA 1 83 PRO QD 2.497 . 3.276 1.925 1.773 2.070 . 0 0 "[ . 1 . 2]" 1
891 1 82 LEU HA 1 83 PRO QG 4.259 . 6.526 3.810 3.551 3.982 . 0 0 "[ . 1 . 2]" 1
892 1 82 LEU HA 1 97 LEU QD 3.342 . 4.738 2.092 1.895 3.258 0.051 3 0 "[ . 1 . 2]" 1
893 1 82 LEU QB 1 82 LEU QD 2.466 . 3.226 1.979 1.887 2.067 . 0 0 "[ . 1 . 2]" 1
894 1 82 LEU QB 1 82 LEU QD 2.350 . 3.040 1.761 1.654 1.899 0.006 14 0 "[ . 1 . 2]" 1
895 1 82 LEU QB 1 83 PRO QD . . 3.840 2.729 2.092 3.510 . 0 0 "[ . 1 . 2]" 1
896 1 82 LEU QB 1 97 LEU QD 1.801 . 2.206 1.988 1.813 2.221 0.015 5 0 "[ . 1 . 2]" 1
897 1 82 LEU QD 1 83 PRO QD 2.973 . 4.078 2.948 1.839 3.669 0.029 12 0 "[ . 1 . 2]" 1
898 1 83 PRO HA 1 84 THR H 2.293 . 2.950 2.407 2.150 2.936 . 0 0 "[ . 1 . 2]" 1
899 1 83 PRO HB2 1 83 PRO QD 2.598 . 3.442 3.298 2.848 3.552 0.110 9 0 "[ . 1 . 2]" 1
900 1 83 PRO HB2 1 84 THR H 3.897 . 5.796 3.220 1.761 4.330 0.237 12 0 "[ . 1 . 2]" 1
901 1 83 PRO HB3 1 83 PRO QD 3.992 . 5.984 3.156 2.856 3.531 . 0 0 "[ . 1 . 2]" 1
902 1 83 PRO HB3 1 84 THR H 3.212 . 4.502 3.692 2.523 4.616 0.114 14 0 "[ . 1 . 2]" 1
903 1 83 PRO HG2 1 84 THR H 4.285 . 6.580 4.818 3.395 5.802 . 0 0 "[ . 1 . 2]" 1
904 1 84 THR H 1 84 THR HA 2.956 . 4.048 2.825 2.641 2.941 . 0 0 "[ . 1 . 2]" 1
905 1 84 THR H 1 84 THR HB 3.132 . 4.358 2.644 2.549 2.853 . 0 0 "[ . 1 . 2]" 1
906 1 84 THR H 1 84 THR MG 3.752 . 5.512 3.674 2.093 3.854 . 0 0 "[ . 1 . 2]" 1
907 1 84 THR HA 1 84 THR MG 2.677 . 3.573 2.378 2.276 3.210 . 0 0 "[ . 1 . 2]" 1
908 1 84 THR HA 1 85 ALA H 2.911 . 3.970 2.183 2.134 2.285 . 0 0 "[ . 1 . 2]" 1
909 1 84 THR HB 1 84 THR MG 2.445 . 3.192 2.136 2.133 2.138 . 0 0 "[ . 1 . 2]" 1
910 1 84 THR MG 1 85 ALA MB 3.138 . 4.369 4.207 3.565 4.501 0.132 17 0 "[ . 1 . 2]" 1
911 1 85 ALA H 1 85 ALA MB 3.130 . 4.355 2.270 2.225 2.350 . 0 0 "[ . 1 . 2]" 1
912 1 88 ASP H 1 88 ASP HB2 3.420 . 4.882 2.224 2.058 2.562 . 0 0 "[ . 1 . 2]" 1
913 1 88 ASP HA 1 88 ASP HB3 3.143 . 4.378 2.162 2.036 2.358 . 0 0 "[ . 1 . 2]" 1
914 1 88 ASP HA 1 89 GLY H 3.745 . 5.499 3.335 2.999 3.528 . 0 0 "[ . 1 . 2]" 1
915 1 91 ALA H 1 91 ALA MB 2.852 . 3.869 2.389 2.225 2.794 . 0 0 "[ . 1 . 2]" 1
916 1 92 LEU HA 1 93 ALA H 2.289 . 2.944 2.430 2.033 2.758 . 0 0 "[ . 1 . 2]" 1
917 1 92 LEU HA 1 95 ASP H 2.574 . 3.402 3.342 2.955 3.680 0.278 12 0 "[ . 1 . 2]" 1
918 1 92 LEU HB2 1 95 ASP H 3.646 . 5.308 5.466 4.791 6.267 0.959 12 2 "[ . 1 +- . 2]" 1
919 1 93 ALA HA 1 94 LEU H 2.092 . 2.639 2.710 2.179 2.799 0.160 13 0 "[ . 1 . 2]" 1
920 1 93 ALA MB 1 94 LEU H 2.845 . 3.857 2.620 2.057 3.633 . 0 0 "[ . 1 . 2]" 1
921 1 95 ASP H 1 95 ASP HA 2.805 . 3.789 2.837 2.784 2.940 . 0 0 "[ . 1 . 2]" 1
922 1 95 ASP H 1 95 ASP QB 2.666 . 3.554 2.352 2.221 2.616 . 0 0 "[ . 1 . 2]" 1
923 1 95 ASP HA 1 96 SER H 3.069 . 4.247 3.500 3.356 3.577 . 0 0 "[ . 1 . 2]" 1
924 1 95 ASP QB 1 96 SER H 3.902 . 5.806 2.886 2.031 3.753 . 0 0 "[ . 1 . 2]" 1
925 1 96 SER H 1 96 SER QB 3.465 . 4.965 2.558 2.450 2.716 . 0 0 "[ . 1 . 2]" 1
926 1 96 SER HA 1 96 SER QB 2.516 . 3.307 2.291 2.180 2.372 . 0 0 "[ . 1 . 2]" 1
927 1 97 LEU H 1 97 LEU HA 2.567 . 3.390 2.882 2.806 2.949 . 0 0 "[ . 1 . 2]" 1
928 1 97 LEU H 1 97 LEU QB 2.771 . 3.731 2.355 2.216 2.630 . 0 0 "[ . 1 . 2]" 1
929 1 97 LEU HA 1 98 THR H 2.829 . 3.829 3.366 3.158 3.558 . 0 0 "[ . 1 . 2]" 1
930 1 97 LEU HB2 1 97 LEU QD 2.088 . 2.633 2.202 2.104 2.303 . 0 0 "[ . 1 . 2]" 1
931 1 98 THR H 1 98 THR HB 3.051 . 4.214 2.799 2.470 3.804 . 0 0 "[ . 1 . 2]" 1
932 1 98 THR H 1 98 THR MG 3.419 . 4.880 3.308 1.998 3.935 . 0 0 "[ . 1 . 2]" 1
933 1 98 THR HA 1 99 VAL H 2.618 . 3.475 3.439 3.202 3.553 0.078 1 0 "[ . 1 . 2]" 1
934 1 98 THR HB 1 99 VAL H 3.077 . 4.260 3.207 2.067 4.293 0.033 18 0 "[ . 1 . 2]" 1
935 1 98 THR MG 1 99 VAL H 3.940 . 5.881 3.557 2.301 4.332 . 0 0 "[ . 1 . 2]" 1
936 1 99 VAL H 1 99 VAL HB 2.786 . 3.756 3.139 2.487 3.851 0.095 20 0 "[ . 1 . 2]" 1
937 1 99 VAL H 1 99 VAL QG 2.802 . 3.784 2.095 1.812 2.512 0.008 6 0 "[ . 1 . 2]" 1
938 1 99 VAL HA 1 99 VAL HB 2.681 . 3.580 2.701 2.406 3.028 . 0 0 "[ . 1 . 2]" 1
939 1 99 VAL HA 1 99 VAL QG 2.800 . 3.780 2.224 2.130 2.351 . 0 0 "[ . 1 . 2]" 1
940 1 99 VAL HA 1 100 LEU H 2.406 . 3.130 2.244 2.113 2.585 . 0 0 "[ . 1 . 2]" 1
941 1 99 VAL HB 1 100 LEU H 3.851 . 5.705 3.650 2.034 4.483 . 0 0 "[ . 1 . 2]" 1
942 1 99 VAL QG 1 100 LEU H 3.398 . 4.842 3.060 2.106 3.716 . 0 0 "[ . 1 . 2]" 1
943 1 100 LEU H 1 100 LEU QB 2.730 . 3.662 2.747 2.234 3.412 . 0 0 "[ . 1 . 2]" 1
944 1 100 LEU H 1 100 LEU HB3 3.214 . 4.505 3.427 2.481 4.117 . 0 0 "[ . 1 . 2]" 1
945 1 100 LEU HA 1 100 LEU HB3 2.584 . 3.419 2.579 2.229 2.890 . 0 0 "[ . 1 . 2]" 1
946 1 106 ASN HB3 1 106 ASN HD21 2.572 . 3.399 2.737 2.215 3.441 0.042 15 0 "[ . 1 . 2]" 1
947 1 106 ASN HB3 1 106 ASN HD22 3.978 . 5.956 3.700 3.461 4.036 . 0 0 "[ . 1 . 2]" 1
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