NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430001 |
2jnh   |
15111 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jnh
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 476
_Distance_constraint_stats_list.Viol_count 591
_Distance_constraint_stats_list.Viol_total 865.556
_Distance_constraint_stats_list.Viol_max 0.981
_Distance_constraint_stats_list.Viol_rms 0.0537
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0976
_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 LEU 5.629 0.923 6 7 "[ *+ * *- * *]"
1 5 GLU 5.414 0.923 6 7 "[ *+ * *- * *]"
1 6 ASN 0.052 0.029 3 0 "[ . 1 .]"
1 7 VAL 2.541 0.755 4 3 "[ *+. - 1 .]"
1 8 ASP 4.038 0.444 4 0 "[ . 1 .]"
1 9 ALA 3.617 0.444 4 0 "[ . 1 .]"
1 10 LYS 2.008 0.130 8 0 "[ . 1 .]"
1 11 ILE 1.541 0.199 5 0 "[ . 1 .]"
1 12 ALA 0.314 0.039 7 0 "[ . 1 .]"
1 13 LYS 7.350 0.981 2 5 "[ +* .* -1 *]"
1 14 LEU 4.982 0.736 13 1 "[ . 1 + .]"
1 15 MET 0.260 0.144 13 0 "[ . 1 .]"
1 16 GLY 1.080 0.084 3 0 "[ . 1 .]"
1 17 GLU 2.089 0.084 3 0 "[ . 1 .]"
1 18 GLY 0.040 0.029 14 0 "[ . 1 .]"
1 19 TYR 0.144 0.029 14 0 "[ . 1 .]"
1 20 ALA 0.102 0.030 11 0 "[ . 1 .]"
1 21 PHE 1.043 0.098 14 0 "[ . 1 .]"
1 22 GLU 1.078 0.142 12 0 "[ . 1 .]"
1 23 GLU 1.157 0.091 5 0 "[ . 1 .]"
1 24 VAL 1.157 0.135 13 0 "[ . 1 .]"
1 25 LYS 2.644 0.199 5 0 "[ . 1 .]"
1 26 ARG 8.204 0.920 9 7 "[ - *** +1 * *.]"
1 27 ALA 2.936 0.860 12 2 "[ - . 1 + .]"
1 28 LEU 1.024 0.100 2 0 "[ . 1 .]"
1 29 GLU 0.853 0.144 14 0 "[ . 1 .]"
1 30 ILE 0.820 0.279 2 0 "[ . 1 .]"
1 31 ALA 0.432 0.054 11 0 "[ . 1 .]"
1 32 GLN 1.576 0.327 13 0 "[ . 1 .]"
1 33 ASN 1.299 0.327 13 0 "[ . 1 .]"
1 34 ASN 1.129 0.074 9 0 "[ . 1 .]"
1 35 VAL 6.330 0.337 7 0 "[ . 1 .]"
1 36 GLU 1.875 0.348 3 0 "[ . 1 .]"
1 37 VAL 0.073 0.054 11 0 "[ . 1 .]"
1 38 ALA 0.044 0.016 2 0 "[ . 1 .]"
1 39 ARG 2.676 0.377 3 0 "[ . 1 .]"
1 40 SER 0.000 0.000 . 0 "[ . 1 .]"
1 42 LEU 3.514 0.736 13 1 "[ . 1 + .]"
1 43 ARG 1.195 0.650 1 2 "[+ . 1 - .]"
1 44 GLU 1.174 0.650 1 2 "[+ . 1 - .]"
1 46 ALA 0.000 0.000 . 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 4 LEU HA 1 4 LEU MD2 3.843 2.071 5.615 2.996 1.911 3.887 0.160 14 0 "[ . 1 .]" 1
2 1 4 LEU HA 1 5 GLU H 3.159 . 4.356 3.396 2.676 3.573 . 0 0 "[ . 1 .]" 1
3 1 4 LEU HB2 1 4 LEU MD1 3.281 . 4.573 2.487 2.262 3.206 . 0 0 "[ . 1 .]" 1
4 1 4 LEU HB2 1 4 LEU MD2 3.853 2.071 5.635 2.679 2.313 3.203 . 0 0 "[ . 1 .]" 1
5 1 4 LEU HB3 1 4 LEU MD1 3.925 2.077 5.773 2.772 2.361 3.199 . 0 0 "[ . 1 .]" 1
6 1 4 LEU HB3 1 4 LEU MD2 3.496 2.029 4.963 2.480 2.240 3.200 . 0 0 "[ . 1 .]" 1
7 1 4 LEU HB3 1 5 GLU H 1.849 . 2.259 2.480 1.655 3.182 0.923 6 7 "[ *+ * *- * *]" 1
8 1 4 LEU HB3 1 5 GLU HA 4.595 2.062 7.128 4.327 4.055 4.661 . 0 0 "[ . 1 .]" 1
9 1 4 LEU MD2 1 5 GLU HB2 5.102 . 8.226 6.406 4.777 7.008 . 0 0 "[ . 1 .]" 1
10 1 5 GLU H 1 5 GLU HG2 1.792 . 2.177 2.030 1.904 2.182 0.005 5 0 "[ . 1 .]" 1
11 1 5 GLU HA 1 5 GLU HB2 2.059 . 2.568 2.479 2.434 2.560 . 0 0 "[ . 1 .]" 1
12 1 5 GLU HA 1 5 GLU HB3 2.018 . 2.507 2.418 2.347 2.463 . 0 0 "[ . 1 .]" 1
13 1 5 GLU HA 1 6 ASN H 3.715 2.059 5.371 2.399 2.141 3.475 . 0 0 "[ . 1 .]" 1
14 1 5 GLU HB2 1 5 GLU HG3 2.707 . 3.586 2.444 2.413 2.509 . 0 0 "[ . 1 .]" 1
15 1 5 GLU HB3 1 5 GLU HG3 2.397 . 3.086 3.009 3.005 3.011 . 0 0 "[ . 1 .]" 1
16 1 5 GLU HG3 1 9 ALA MB 4.332 2.080 6.584 4.685 2.758 6.094 . 0 0 "[ . 1 .]" 1
17 1 6 ASN H 1 6 ASN HB2 3.918 2.076 5.760 3.042 2.474 3.872 . 0 0 "[ . 1 .]" 1
18 1 6 ASN H 1 9 ALA MB 4.051 2.082 6.020 4.276 2.315 5.437 . 0 0 "[ . 1 .]" 1
19 1 6 ASN HA 1 7 VAL H 3.116 . 4.281 2.924 2.141 3.579 . 0 0 "[ . 1 .]" 1
20 1 6 ASN HA 1 9 ALA H 3.468 2.025 4.911 4.246 3.589 4.841 . 0 0 "[ . 1 .]" 1
21 1 6 ASN HA 1 9 ALA MB 3.597 2.044 5.150 4.078 3.243 4.585 . 0 0 "[ . 1 .]" 1
22 1 6 ASN HB2 1 7 VAL H 3.655 2.052 5.258 3.493 2.023 4.570 0.029 3 0 "[ . 1 .]" 1
23 1 6 ASN HB2 1 7 VAL MG1 4.821 2.032 7.610 4.672 2.895 6.606 . 0 0 "[ . 1 .]" 1
24 1 6 ASN HB2 1 8 ASP H 4.397 2.077 6.717 4.528 2.908 5.889 . 0 0 "[ . 1 .]" 1
25 1 6 ASN HB2 1 9 ALA H 4.948 2.010 7.886 4.661 2.823 6.129 . 0 0 "[ . 1 .]" 1
26 1 6 ASN HB2 1 9 ALA MB 4.178 2.083 6.273 4.393 2.232 5.763 . 0 0 "[ . 1 .]" 1
27 1 7 VAL H 1 7 VAL HA 2.226 . 2.821 2.811 2.755 2.883 0.062 6 0 "[ . 1 .]" 1
28 1 7 VAL H 1 7 VAL HB 3.371 2.007 4.735 3.312 2.366 3.627 . 0 0 "[ . 1 .]" 1
29 1 7 VAL H 1 7 VAL MG1 3.240 . 4.500 2.347 2.032 3.732 . 0 0 "[ . 1 .]" 1
30 1 7 VAL HA 1 7 VAL MG1 1.983 . 2.455 2.505 2.273 3.210 0.755 4 3 "[ *+. - 1 .]" 1
31 1 7 VAL HA 1 10 LYS QB 3.557 2.039 5.075 3.334 2.876 3.616 . 0 0 "[ . 1 .]" 1
32 1 7 VAL HA 1 10 LYS QE 4.622 2.059 7.185 5.348 5.002 5.816 . 0 0 "[ . 1 .]" 1
33 1 7 VAL HA 1 10 LYS HG2 4.559 2.065 7.053 2.896 2.085 3.372 . 0 0 "[ . 1 .]" 1
34 1 7 VAL HB 1 7 VAL MG1 1.945 . 2.399 2.127 2.125 2.134 . 0 0 "[ . 1 .]" 1
35 1 7 VAL MG1 1 10 LYS H 3.960 2.078 5.842 5.052 4.149 5.229 . 0 0 "[ . 1 .]" 1
36 1 7 VAL MG1 1 33 ASN QB 4.367 2.078 6.656 4.958 3.977 6.640 . 0 0 "[ . 1 .]" 1
37 1 8 ASP H 1 8 ASP HB2 3.187 . 4.406 2.521 2.414 2.592 . 0 0 "[ . 1 .]" 1
38 1 8 ASP HA 1 9 ALA H 2.723 . 3.613 3.538 3.512 3.576 . 0 0 "[ . 1 .]" 1
39 1 8 ASP HA 1 11 ILE HB 2.044 . 2.545 2.604 2.574 2.628 0.083 15 0 "[ . 1 .]" 1
40 1 8 ASP HA 1 11 ILE MD 3.828 2.069 5.587 2.205 2.045 2.272 0.024 15 0 "[ . 1 .]" 1
41 1 8 ASP HA 1 11 ILE MG 4.494 2.071 6.917 3.955 3.861 3.997 . 0 0 "[ . 1 .]" 1
42 1 8 ASP HB2 1 9 ALA H 4.017 2.081 5.953 3.265 2.393 3.949 . 0 0 "[ . 1 .]" 1
43 1 8 ASP HB2 1 9 ALA MB 3.496 2.029 4.963 4.736 3.926 5.407 0.444 4 0 "[ . 1 .]" 1
44 1 8 ASP HB2 1 11 ILE MD 3.554 2.038 5.070 4.237 3.671 4.815 . 0 0 "[ . 1 .]" 1
45 1 9 ALA H 1 9 ALA HA 2.849 . 3.823 2.783 2.768 2.805 . 0 0 "[ . 1 .]" 1
46 1 9 ALA H 1 9 ALA MB 3.175 . 4.385 2.228 2.216 2.235 . 0 0 "[ . 1 .]" 1
47 1 9 ALA H 1 10 LYS H 3.062 . 4.187 2.730 2.682 2.798 . 0 0 "[ . 1 .]" 1
48 1 9 ALA HA 1 9 ALA MB 2.480 . 3.218 2.129 2.127 2.131 . 0 0 "[ . 1 .]" 1
49 1 9 ALA HA 1 10 LYS H 4.120 2.083 6.157 3.524 3.494 3.562 . 0 0 "[ . 1 .]" 1
50 1 9 ALA HA 1 13 LYS H 2.939 . 3.976 4.008 3.984 4.035 0.059 9 0 "[ . 1 .]" 1
51 1 9 ALA MB 1 10 LYS HA 4.691 2.050 7.332 3.859 3.816 3.878 . 0 0 "[ . 1 .]" 1
52 1 9 ALA MB 1 13 LYS HB2 3.730 2.061 5.399 4.265 4.164 4.389 . 0 0 "[ . 1 .]" 1
53 1 10 LYS H 1 10 LYS QE 4.347 2.079 6.615 3.809 3.384 4.311 . 0 0 "[ . 1 .]" 1
54 1 10 LYS H 1 10 LYS HG2 1.754 . 2.123 2.033 1.918 2.171 0.048 2 0 "[ . 1 .]" 1
55 1 10 LYS H 1 11 ILE H 3.317 . 4.637 2.553 2.488 2.651 . 0 0 "[ . 1 .]" 1
56 1 10 LYS H 1 11 ILE HG12 4.346 2.080 6.612 5.545 5.341 5.749 . 0 0 "[ . 1 .]" 1
57 1 10 LYS HA 1 10 LYS QB 3.396 2.012 4.029 2.304 2.273 2.333 . 0 0 "[ . 1 .]" 1
58 1 10 LYS HA 1 10 LYS HD2 2.972 . 4.032 3.248 2.146 4.162 0.130 8 0 "[ . 1 .]" 1
59 1 10 LYS HA 1 10 LYS HD3 3.021 . 4.116 3.742 3.673 3.894 . 0 0 "[ . 1 .]" 1
60 1 10 LYS HA 1 10 LYS QE 3.537 2.036 3.855 2.128 1.938 2.482 0.098 3 0 "[ . 1 .]" 1
61 1 10 LYS HA 1 10 LYS HG2 2.981 . 4.048 3.133 2.825 3.554 . 0 0 "[ . 1 .]" 1
62 1 10 LYS HA 1 11 ILE H 4.245 2.083 6.407 3.532 3.519 3.551 . 0 0 "[ . 1 .]" 1
63 1 10 LYS HA 1 11 ILE HG12 4.526 2.068 6.984 6.237 6.111 6.338 . 0 0 "[ . 1 .]" 1
64 1 10 LYS HA 1 13 LYS H 2.736 . 3.635 3.454 3.290 3.526 . 0 0 "[ . 1 .]" 1
65 1 10 LYS HA 1 13 LYS HB2 2.212 . 2.799 2.738 2.625 2.834 0.035 9 0 "[ . 1 .]" 1
66 1 10 LYS QB 1 10 LYS HD2 2.850 . 3.629 3.202 2.964 3.379 . 0 0 "[ . 1 .]" 1
67 1 10 LYS QB 1 10 LYS QE . 2.078 2.392 2.316 2.164 2.368 . 0 0 "[ . 1 .]" 1
68 1 10 LYS QB 1 10 LYS HG2 3.560 2.039 3.629 2.389 2.257 2.490 . 0 0 "[ . 1 .]" 1
69 1 10 LYS QB 1 11 ILE H 3.625 2.049 5.201 2.499 2.331 2.642 . 0 0 "[ . 1 .]" 1
70 1 10 LYS QB 1 11 ILE HG12 3.828 2.069 5.423 4.095 3.966 4.205 . 0 0 "[ . 1 .]" 1
71 1 10 LYS QB 1 35 VAL H 4.680 2.052 7.308 4.836 4.231 5.340 . 0 0 "[ . 1 .]" 1
72 1 10 LYS QB 1 35 VAL QG 3.438 2.020 4.856 3.207 2.320 3.525 . 0 0 "[ . 1 .]" 1
73 1 10 LYS HD2 1 10 LYS QE 1.912 . 2.351 2.313 2.152 2.391 0.040 1 0 "[ . 1 .]" 1
74 1 10 LYS HD2 1 10 LYS HG2 2.748 . 3.654 2.459 2.422 2.490 . 0 0 "[ . 1 .]" 1
75 1 10 LYS HD3 1 10 LYS QE 3.170 . 4.376 2.303 2.166 2.405 . 0 0 "[ . 1 .]" 1
76 1 10 LYS HD3 1 10 LYS HG2 2.487 . 3.229 2.727 2.348 3.018 . 0 0 "[ . 1 .]" 1
77 1 10 LYS HD3 1 33 ASN QB 4.549 2.066 7.032 5.165 4.117 6.439 . 0 0 "[ . 1 .]" 1
78 1 10 LYS QE 1 10 LYS HG2 2.871 . 3.860 2.884 2.351 3.524 . 0 0 "[ . 1 .]" 1
79 1 10 LYS QE 1 13 LYS QG 2.774 . 3.697 3.373 2.649 3.570 . 0 0 "[ . 1 .]" 1
80 1 10 LYS HG2 1 35 VAL QG 3.814 2.069 5.559 4.725 4.328 4.966 . 0 0 "[ . 1 .]" 1
81 1 11 ILE H 1 11 ILE HB 3.044 . 4.156 2.591 2.538 2.625 . 0 0 "[ . 1 .]" 1
82 1 11 ILE H 1 11 ILE HG12 2.976 . 4.039 3.229 3.134 3.318 . 0 0 "[ . 1 .]" 1
83 1 11 ILE H 1 11 ILE HG13 1.759 . 2.130 2.019 1.907 2.102 . 0 0 "[ . 1 .]" 1
84 1 11 ILE HA 1 11 ILE MD 3.795 2.067 5.523 3.820 3.796 3.858 . 0 0 "[ . 1 .]" 1
85 1 11 ILE HA 1 11 ILE HG12 2.053 . 2.559 2.519 2.484 2.583 0.024 1 0 "[ . 1 .]" 1
86 1 11 ILE HA 1 11 ILE HG13 3.690 2.056 5.324 3.065 2.975 3.149 . 0 0 "[ . 1 .]" 1
87 1 11 ILE HA 1 11 ILE MG 2.759 . 3.672 2.374 2.325 2.405 . 0 0 "[ . 1 .]" 1
88 1 11 ILE HA 1 12 ALA H 4.268 2.082 6.454 3.569 3.559 3.573 . 0 0 "[ . 1 .]" 1
89 1 11 ILE HA 1 14 LEU H 4.682 2.051 7.313 3.415 3.329 3.459 . 0 0 "[ . 1 .]" 1
90 1 11 ILE HA 1 14 LEU MD1 3.694 2.056 5.332 3.273 3.012 3.875 . 0 0 "[ . 1 .]" 1
91 1 11 ILE HA 1 14 LEU MD2 3.967 2.078 5.856 4.083 3.876 4.427 . 0 0 "[ . 1 .]" 1
92 1 11 ILE HA 1 15 MET H 4.862 2.026 7.698 4.430 4.347 4.508 . 0 0 "[ . 1 .]" 1
93 1 11 ILE HA 1 24 VAL MG1 3.323 . 4.648 2.472 2.129 2.953 . 0 0 "[ . 1 .]" 1
94 1 11 ILE HB 1 11 ILE MD 3.383 2.010 4.756 2.446 2.411 2.485 . 0 0 "[ . 1 .]" 1
95 1 11 ILE HB 1 11 ILE HG12 2.530 . 3.298 3.031 3.028 3.033 . 0 0 "[ . 1 .]" 1
96 1 11 ILE HB 1 11 ILE MG 3.177 . 4.388 2.098 2.089 2.105 . 0 0 "[ . 1 .]" 1
97 1 11 ILE HB 1 12 ALA H 1.792 . 2.177 2.197 2.184 2.216 0.039 7 0 "[ . 1 .]" 1
98 1 11 ILE MD 1 11 ILE HG12 2.939 . 3.976 2.120 2.117 2.122 . 0 0 "[ . 1 .]" 1
99 1 11 ILE MD 1 11 ILE HG13 3.207 . 4.441 2.119 2.117 2.120 . 0 0 "[ . 1 .]" 1
100 1 11 ILE MD 1 25 LYS HD2 3.790 2.066 5.514 3.238 1.867 3.689 0.199 5 0 "[ . 1 .]" 1
101 1 11 ILE MD 1 25 LYS HG2 3.537 2.036 5.038 3.231 3.025 3.298 . 0 0 "[ . 1 .]" 1
102 1 11 ILE MG 1 12 ALA H 3.477 2.026 4.928 3.192 3.118 3.244 . 0 0 "[ . 1 .]" 1
103 1 11 ILE MG 1 12 ALA HA 4.233 2.082 6.384 3.480 3.418 3.515 . 0 0 "[ . 1 .]" 1
104 1 11 ILE MG 1 14 LEU H 3.145 . 4.332 4.194 4.157 4.211 . 0 0 "[ . 1 .]" 1
105 1 11 ILE MG 1 14 LEU HB2 2.941 . 3.979 3.809 3.755 3.975 . 0 0 "[ . 1 .]" 1
106 1 11 ILE MG 1 15 MET H 3.596 2.044 5.148 3.864 3.763 3.933 . 0 0 "[ . 1 .]" 1
107 1 11 ILE MG 1 15 MET HG2 3.786 2.066 5.506 3.152 2.213 4.063 . 0 0 "[ . 1 .]" 1
108 1 11 ILE MG 1 15 MET HG3 3.445 2.021 4.869 3.135 2.383 4.457 . 0 0 "[ . 1 .]" 1
109 1 12 ALA H 1 12 ALA HA 2.202 . 2.784 2.773 2.762 2.793 0.009 2 0 "[ . 1 .]" 1
110 1 12 ALA H 1 12 ALA MB 2.785 . 3.716 2.238 2.233 2.242 . 0 0 "[ . 1 .]" 1
111 1 12 ALA HA 1 12 ALA MB 2.448 . 3.167 2.134 2.132 2.137 . 0 0 "[ . 1 .]" 1
112 1 12 ALA HA 1 15 MET H 3.900 2.075 5.725 2.852 2.785 2.906 . 0 0 "[ . 1 .]" 1
113 1 12 ALA HA 1 15 MET HB2 2.118 . 2.656 1.980 1.799 2.101 . 0 0 "[ . 1 .]" 1
114 1 12 ALA HA 1 15 MET HB3 2.834 . 3.798 3.402 2.653 3.590 . 0 0 "[ . 1 .]" 1
115 1 12 ALA MB 1 15 MET H 4.734 2.044 7.424 4.129 4.086 4.174 . 0 0 "[ . 1 .]" 1
116 1 13 LYS H 1 13 LYS HB2 2.688 . 3.555 2.439 2.378 2.546 . 0 0 "[ . 1 .]" 1
117 1 13 LYS H 1 14 LEU H 3.540 2.036 5.044 2.707 2.662 2.750 . 0 0 "[ . 1 .]" 1
118 1 13 LYS H 1 14 LEU MD1 4.703 2.049 7.357 4.338 3.922 5.424 . 0 0 "[ . 1 .]" 1
119 1 13 LYS HA 1 13 LYS HB2 1.982 . 2.453 2.486 2.437 2.510 0.057 6 0 "[ . 1 .]" 1
120 1 13 LYS HA 1 13 LYS HD2 2.091 . 2.616 2.356 2.045 2.630 0.014 11 0 "[ . 1 .]" 1
121 1 13 LYS HA 1 13 LYS QG 3.572 2.041 5.103 2.925 2.806 3.090 . 0 0 "[ . 1 .]" 1
122 1 13 LYS HA 1 14 LEU H 3.402 2.013 4.791 3.517 3.483 3.534 . 0 0 "[ . 1 .]" 1
123 1 13 LYS HB2 1 13 LYS HD2 3.091 . 4.238 3.301 3.067 3.414 . 0 0 "[ . 1 .]" 1
124 1 13 LYS HB2 1 13 LYS HE2 4.466 2.073 6.859 4.120 3.638 4.693 . 0 0 "[ . 1 .]" 1
125 1 13 LYS HB2 1 13 LYS HE3 4.708 2.049 7.367 4.422 3.823 4.878 . 0 0 "[ . 1 .]" 1
126 1 13 LYS HB2 1 13 LYS QG 2.873 . 3.863 2.349 2.306 2.400 . 0 0 "[ . 1 .]" 1
127 1 13 LYS HD2 1 13 LYS HE2 2.756 . 3.668 2.817 2.429 3.007 . 0 0 "[ . 1 .]" 1
128 1 13 LYS HD2 1 13 LYS HE3 1.907 . 2.343 2.558 2.359 3.007 0.664 6 3 "[ * .+ -1 .]" 1
129 1 13 LYS HD2 1 13 LYS QG 2.662 . 3.512 2.248 2.182 2.382 . 0 0 "[ . 1 .]" 1
130 1 13 LYS HE2 1 13 LYS QG 2.840 . 3.808 2.526 2.293 3.297 . 0 0 "[ . 1 .]" 1
131 1 13 LYS HE3 1 13 LYS QG 1.886 . 2.313 2.499 2.289 3.294 0.981 2 2 "[ + . 1 -]" 1
132 1 13 LYS QG 1 14 LEU MD1 3.540 2.036 5.044 3.179 2.844 3.945 . 0 0 "[ . 1 .]" 1
133 1 13 LYS QG 1 35 VAL QG 2.984 . 4.052 2.066 1.818 2.345 0.098 10 0 "[ . 1 .]" 1
134 1 14 LEU H 1 14 LEU HB2 3.483 2.027 4.939 2.200 2.090 2.283 . 0 0 "[ . 1 .]" 1
135 1 14 LEU H 1 14 LEU HB3 2.907 . 3.921 3.442 3.091 3.554 . 0 0 "[ . 1 .]" 1
136 1 14 LEU H 1 14 LEU MD1 3.323 . 4.648 2.675 2.407 3.447 . 0 0 "[ . 1 .]" 1
137 1 14 LEU H 1 14 LEU HG 3.013 . 4.103 4.023 3.934 4.210 0.107 13 0 "[ . 1 .]" 1
138 1 14 LEU H 1 15 MET H 3.906 2.075 5.737 2.315 2.207 2.436 . 0 0 "[ . 1 .]" 1
139 1 14 LEU HA 1 14 LEU MD1 4.565 2.064 7.066 2.814 2.724 2.975 . 0 0 "[ . 1 .]" 1
140 1 14 LEU HA 1 14 LEU MD2 3.222 . 4.468 3.623 3.464 3.681 . 0 0 "[ . 1 .]" 1
141 1 14 LEU HA 1 14 LEU HG 3.819 2.069 5.569 2.260 2.100 2.343 . 0 0 "[ . 1 .]" 1
142 1 14 LEU HA 1 15 MET H 3.018 . 4.111 3.472 3.438 3.491 . 0 0 "[ . 1 .]" 1
143 1 14 LEU HA 1 17 GLU HB2 3.804 2.067 5.541 4.489 4.153 4.967 . 0 0 "[ . 1 .]" 1
144 1 14 LEU HA 1 17 GLU HG3 4.210 2.083 6.337 4.829 4.506 5.208 . 0 0 "[ . 1 .]" 1
145 1 14 LEU HB2 1 14 LEU MD2 2.961 . 4.013 2.599 2.525 2.838 . 0 0 "[ . 1 .]" 1
146 1 14 LEU HB2 1 15 MET H 2.531 . 3.300 3.129 3.017 3.444 0.144 13 0 "[ . 1 .]" 1
147 1 14 LEU HB2 1 42 LEU HG 3.373 2.008 4.738 4.762 4.508 5.474 0.736 13 1 "[ . 1 + .]" 1
148 1 14 LEU HB3 1 14 LEU MD1 3.345 2.002 4.688 3.149 3.030 3.181 . 0 0 "[ . 1 .]" 1
149 1 14 LEU HB3 1 14 LEU MD2 3.084 . 4.225 2.190 2.125 2.222 . 0 0 "[ . 1 .]" 1
150 1 14 LEU HB3 1 14 LEU HG 2.365 . 3.036 2.610 2.559 2.772 . 0 0 "[ . 1 .]" 1
151 1 14 LEU HB3 1 15 MET H 3.268 . 4.549 3.506 3.065 3.749 . 0 0 "[ . 1 .]" 1
152 1 14 LEU MD1 1 14 LEU HG 3.398 2.013 4.783 2.120 2.107 2.124 . 0 0 "[ . 1 .]" 1
153 1 14 LEU MD1 1 35 VAL HA 3.606 2.045 5.167 2.565 2.141 2.863 . 0 0 "[ . 1 .]" 1
154 1 14 LEU MD1 1 35 VAL QG 3.515 2.032 4.998 1.825 1.695 1.978 0.337 7 0 "[ . 1 .]" 1
155 1 14 LEU MD1 1 39 ARG H 3.356 2.004 4.708 4.123 3.373 4.447 . 0 0 "[ . 1 .]" 1
156 1 14 LEU MD1 1 42 LEU HG 3.706 2.058 5.354 4.545 4.167 4.655 . 0 0 "[ . 1 .]" 1
157 1 14 LEU MD2 1 14 LEU HG 2.035 . 2.532 2.124 2.122 2.127 . 0 0 "[ . 1 .]" 1
158 1 14 LEU MD2 1 17 GLU HB2 4.112 2.083 6.141 5.595 5.161 5.698 . 0 0 "[ . 1 .]" 1
159 1 14 LEU MD2 1 23 GLU HA 4.875 2.023 7.727 6.176 5.680 6.479 . 0 0 "[ . 1 .]" 1
160 1 14 LEU MD2 1 24 VAL HA 3.980 2.079 5.881 2.385 1.944 2.658 0.135 13 0 "[ . 1 .]" 1
161 1 14 LEU MD2 1 42 LEU MD2 4.274 2.081 6.467 2.460 2.112 2.660 . 0 0 "[ . 1 .]" 1
162 1 14 LEU MD2 1 42 LEU HG 2.960 . 4.011 2.256 2.035 2.461 . 0 0 "[ . 1 .]" 1
163 1 14 LEU HG 1 15 MET H 4.447 2.074 6.820 5.092 4.908 5.169 . 0 0 "[ . 1 .]" 1
164 1 14 LEU HG 1 24 VAL MG1 3.809 2.068 5.550 3.801 3.774 3.824 . 0 0 "[ . 1 .]" 1
165 1 14 LEU HG 1 38 ALA H 4.264 2.082 6.446 6.374 6.152 6.462 0.016 2 0 "[ . 1 .]" 1
166 1 14 LEU HG 1 38 ALA MB 3.993 2.080 5.906 3.808 3.601 4.176 . 0 0 "[ . 1 .]" 1
167 1 15 MET H 1 15 MET HB2 3.264 . 4.542 2.339 2.097 2.468 . 0 0 "[ . 1 .]" 1
168 1 15 MET H 1 15 MET HB3 3.262 . 4.539 3.494 3.041 3.591 . 0 0 "[ . 1 .]" 1
169 1 15 MET H 1 15 MET HG2 3.483 2.027 4.939 3.209 2.307 3.985 . 0 0 "[ . 1 .]" 1
170 1 15 MET H 1 15 MET HG3 3.450 2.022 4.878 3.329 2.221 4.431 . 0 0 "[ . 1 .]" 1
171 1 15 MET H 1 16 GLY H 3.903 2.075 5.731 2.574 2.514 2.624 . 0 0 "[ . 1 .]" 1
172 1 15 MET HA 1 15 MET HG2 3.069 . 4.199 2.742 2.361 3.623 . 0 0 "[ . 1 .]" 1
173 1 15 MET HA 1 15 MET HG3 3.116 . 4.281 3.329 2.507 3.729 . 0 0 "[ . 1 .]" 1
174 1 15 MET HA 1 24 VAL MG2 3.874 2.073 5.675 3.539 3.390 3.735 . 0 0 "[ . 1 .]" 1
175 1 15 MET HB2 1 15 MET HG3 2.690 . 3.558 2.464 2.382 3.006 . 0 0 "[ . 1 .]" 1
176 1 15 MET HB2 1 16 GLY H 3.540 2.036 5.044 3.162 2.926 3.710 . 0 0 "[ . 1 .]" 1
177 1 15 MET HB3 1 16 GLY H 3.646 2.051 5.241 3.771 3.181 4.040 . 0 0 "[ . 1 .]" 1
178 1 15 MET HG3 1 24 VAL MG1 4.411 2.077 6.745 4.311 3.090 5.495 . 0 0 "[ . 1 .]" 1
179 1 16 GLY H 1 17 GLU H 3.957 2.078 5.836 3.017 2.959 3.077 . 0 0 "[ . 1 .]" 1
180 1 16 GLY HA3 1 17 GLU H 2.029 . 2.523 2.595 2.585 2.607 0.084 3 0 "[ . 1 .]" 1
181 1 17 GLU H 1 17 GLU HB2 3.308 . 4.621 2.359 2.288 2.405 . 0 0 "[ . 1 .]" 1
182 1 17 GLU H 1 17 GLU HG3 2.348 . 3.010 2.448 2.334 2.608 . 0 0 "[ . 1 .]" 1
183 1 17 GLU H 1 18 GLY H 3.673 2.055 5.291 2.705 2.674 2.789 . 0 0 "[ . 1 .]" 1
184 1 17 GLU HA 1 17 GLU HB2 2.799 . 3.739 3.010 2.998 3.016 . 0 0 "[ . 1 .]" 1
185 1 17 GLU HA 1 17 GLU HB3 2.827 . 3.786 2.566 2.526 2.609 . 0 0 "[ . 1 .]" 1
186 1 17 GLU HA 1 17 GLU HG2 2.150 . 2.705 2.650 2.565 2.725 0.020 12 0 "[ . 1 .]" 1
187 1 17 GLU HA 1 17 GLU HG3 2.087 . 2.610 2.676 2.662 2.689 0.079 15 0 "[ . 1 .]" 1
188 1 17 GLU HA 1 18 GLY H 2.925 . 3.952 3.519 3.494 3.559 . 0 0 "[ . 1 .]" 1
189 1 17 GLU HB2 1 17 GLU HG3 2.769 . 3.689 2.563 2.523 2.594 . 0 0 "[ . 1 .]" 1
190 1 17 GLU HB3 1 17 GLU HG3 2.747 . 3.652 2.994 2.981 3.003 . 0 0 "[ . 1 .]" 1
191 1 17 GLU HG2 1 42 LEU HG 4.419 2.076 6.762 6.511 6.145 6.766 0.004 13 0 "[ . 1 .]" 1
192 1 18 GLY H 1 19 TYR H 3.604 2.045 5.163 3.142 2.884 3.327 . 0 0 "[ . 1 .]" 1
193 1 18 GLY H 1 19 TYR HB3 3.965 2.078 5.852 5.630 5.005 5.881 0.029 14 0 "[ . 1 .]" 1
194 1 18 GLY HA2 1 19 TYR H 4.313 2.081 6.545 2.259 2.189 2.362 . 0 0 "[ . 1 .]" 1
195 1 18 GLY HA3 1 19 TYR H 4.284 2.082 6.486 3.477 3.421 3.532 . 0 0 "[ . 1 .]" 1
196 1 19 TYR H 1 19 TYR HB2 4.049 2.082 6.016 2.821 2.669 3.093 . 0 0 "[ . 1 .]" 1
197 1 19 TYR H 1 19 TYR HB3 3.600 2.045 5.155 3.553 3.226 3.741 . 0 0 "[ . 1 .]" 1
198 1 19 TYR H 1 20 ALA H 4.521 2.068 6.974 4.372 4.336 4.408 . 0 0 "[ . 1 .]" 1
199 1 19 TYR H 1 24 VAL MG2 4.232 2.082 6.382 3.927 3.705 4.098 . 0 0 "[ . 1 .]" 1
200 1 19 TYR HA 1 20 ALA H 3.400 2.013 4.787 2.625 2.560 2.707 . 0 0 "[ . 1 .]" 1
201 1 19 TYR HB2 1 20 ALA H 4.027 2.081 5.973 3.649 3.532 3.768 . 0 0 "[ . 1 .]" 1
202 1 19 TYR HB2 1 24 VAL MG2 3.240 . 4.499 3.697 3.350 3.975 . 0 0 "[ . 1 .]" 1
203 1 19 TYR HB2 1 42 LEU MD2 4.258 2.083 6.433 3.110 2.753 3.608 . 0 0 "[ . 1 .]" 1
204 1 19 TYR HB3 1 20 ALA H 3.996 2.079 5.913 2.243 2.058 2.672 0.021 8 0 "[ . 1 .]" 1
205 1 19 TYR HB3 1 20 ALA HA 4.306 2.081 6.531 4.523 4.448 4.738 . 0 0 "[ . 1 .]" 1
206 1 19 TYR HB3 1 21 PHE H 4.026 2.081 5.971 5.859 5.736 5.994 0.023 13 0 "[ . 1 .]" 1
207 1 19 TYR HB3 1 24 VAL MG2 2.979 . 4.044 3.416 2.751 3.770 . 0 0 "[ . 1 .]" 1
208 1 19 TYR HB3 1 42 LEU MD2 3.381 2.009 4.753 2.866 2.522 2.959 . 0 0 "[ . 1 .]" 1
209 1 20 ALA H 1 20 ALA MB 3.447 2.021 4.873 2.159 2.091 2.213 . 0 0 "[ . 1 .]" 1
210 1 20 ALA H 1 24 VAL MG2 4.697 2.049 7.345 4.383 3.929 4.574 . 0 0 "[ . 1 .]" 1
211 1 20 ALA HA 1 20 ALA MB 3.159 . 4.356 2.116 2.098 2.123 . 0 0 "[ . 1 .]" 1
212 1 20 ALA HA 1 21 PHE H 3.400 2.013 4.787 2.268 2.168 2.615 . 0 0 "[ . 1 .]" 1
213 1 20 ALA MB 1 21 PHE H 3.715 2.059 5.371 2.783 2.179 3.074 . 0 0 "[ . 1 .]" 1
214 1 20 ALA MB 1 22 GLU H 4.127 2.083 6.171 2.907 2.663 3.211 . 0 0 "[ . 1 .]" 1
215 1 20 ALA MB 1 23 GLU H 1.875 . 2.297 2.281 2.255 2.327 0.030 11 0 "[ . 1 .]" 1
216 1 20 ALA MB 1 23 GLU HG2 3.464 2.024 4.904 3.713 3.576 3.904 . 0 0 "[ . 1 .]" 1
217 1 20 ALA MB 1 23 GLU HG3 2.843 . 3.813 2.230 2.054 2.434 . 0 0 "[ . 1 .]" 1
218 1 20 ALA MB 1 24 VAL MG2 3.694 2.056 5.332 4.050 3.881 4.138 . 0 0 "[ . 1 .]" 1
219 1 21 PHE H 1 21 PHE HB2 3.655 2.052 5.258 3.086 2.423 3.625 . 0 0 "[ . 1 .]" 1
220 1 21 PHE H 1 21 PHE HB3 3.659 2.052 5.266 3.135 2.624 3.686 . 0 0 "[ . 1 .]" 1
221 1 21 PHE H 1 22 GLU H 1.907 . 2.343 2.393 2.283 2.441 0.098 14 0 "[ . 1 .]" 1
222 1 21 PHE HA 1 22 GLU H 4.355 2.079 6.631 3.494 3.459 3.558 . 0 0 "[ . 1 .]" 1
223 1 21 PHE HA 1 24 VAL HB 2.189 . 2.764 2.761 2.675 2.811 0.047 11 0 "[ . 1 .]" 1
224 1 21 PHE HA 1 24 VAL MG1 4.408 2.076 6.740 4.040 3.908 4.172 . 0 0 "[ . 1 .]" 1
225 1 21 PHE HA 1 24 VAL MG2 3.955 2.078 5.832 2.745 2.220 3.165 . 0 0 "[ . 1 .]" 1
226 1 21 PHE HA 1 25 LYS HE3 4.034 2.081 5.987 4.230 3.297 5.458 . 0 0 "[ . 1 .]" 1
227 1 21 PHE HB2 1 22 GLU H 3.301 . 4.609 3.270 2.307 3.917 . 0 0 "[ . 1 .]" 1
228 1 21 PHE HB3 1 22 GLU H 3.646 2.051 5.241 3.876 3.419 4.103 . 0 0 "[ . 1 .]" 1
229 1 22 GLU H 1 22 GLU QB 3.286 . 4.582 2.372 2.202 2.548 . 0 0 "[ . 1 .]" 1
230 1 22 GLU H 1 22 GLU HG3 3.190 . 4.411 3.380 2.047 4.553 0.142 12 0 "[ . 1 .]" 1
231 1 22 GLU H 1 23 GLU H 3.646 2.051 5.241 2.671 2.610 2.747 . 0 0 "[ . 1 .]" 1
232 1 22 GLU HA 1 22 GLU QB 3.083 . 4.155 2.374 2.339 2.439 . 0 0 "[ . 1 .]" 1
233 1 22 GLU HA 1 22 GLU HG3 3.566 2.040 5.092 3.076 2.518 3.785 . 0 0 "[ . 1 .]" 1
234 1 22 GLU HA 1 23 GLU H 4.400 2.077 6.723 3.539 3.521 3.553 . 0 0 "[ . 1 .]" 1
235 1 22 GLU HA 1 25 LYS HE2 5.036 . 8.079 6.076 4.383 6.984 . 0 0 "[ . 1 .]" 1
236 1 22 GLU QB 1 22 GLU HG2 2.167 . 2.731 2.343 2.326 2.378 . 0 0 "[ . 1 .]" 1
237 1 22 GLU QB 1 22 GLU HG3 2.196 2.074 2.775 2.295 2.158 2.355 . 0 0 "[ . 1 .]" 1
238 1 22 GLU QB 1 23 GLU H 2.197 . 2.776 2.540 2.444 2.699 . 0 0 "[ . 1 .]" 1
239 1 23 GLU H 1 23 GLU HG3 2.044 . 2.545 2.441 2.378 2.532 . 0 0 "[ . 1 .]" 1
240 1 23 GLU H 1 24 VAL H 2.341 . 2.998 2.593 2.540 2.672 . 0 0 "[ . 1 .]" 1
241 1 23 GLU H 1 24 VAL MG2 4.328 2.080 6.576 4.048 3.875 4.219 . 0 0 "[ . 1 .]" 1
242 1 23 GLU HA 1 23 GLU HG2 1.870 . 2.290 2.365 2.349 2.381 0.091 5 0 "[ . 1 .]" 1
243 1 23 GLU HA 1 27 ALA MB 4.948 2.010 7.886 4.132 4.053 4.265 . 0 0 "[ . 1 .]" 1
244 1 24 VAL H 1 24 VAL HB 2.424 . 3.129 2.440 2.386 2.484 . 0 0 "[ . 1 .]" 1
245 1 24 VAL H 1 25 LYS HB2 3.856 2.072 5.640 4.799 4.672 4.890 . 0 0 "[ . 1 .]" 1
246 1 24 VAL H 1 25 LYS HB3 4.770 2.039 7.501 6.259 6.129 6.354 . 0 0 "[ . 1 .]" 1
247 1 24 VAL HA 1 24 VAL MG1 3.330 . 4.661 2.482 2.422 2.528 . 0 0 "[ . 1 .]" 1
248 1 24 VAL HA 1 24 VAL MG2 3.702 2.057 5.347 2.375 2.345 2.412 . 0 0 "[ . 1 .]" 1
249 1 24 VAL HA 1 25 LYS H 4.129 2.083 6.175 3.577 3.569 3.582 . 0 0 "[ . 1 .]" 1
250 1 24 VAL HA 1 25 LYS HD3 3.999 2.080 5.918 5.632 4.554 5.859 . 0 0 "[ . 1 .]" 1
251 1 24 VAL HA 1 27 ALA H 4.219 2.083 6.355 3.632 3.562 3.783 . 0 0 "[ . 1 .]" 1
252 1 24 VAL HA 1 42 LEU MD2 3.216 . 4.457 2.690 2.257 2.994 . 0 0 "[ . 1 .]" 1
253 1 24 VAL HA 1 42 LEU HG 3.207 . 4.441 4.242 3.905 4.411 . 0 0 "[ . 1 .]" 1
254 1 24 VAL HB 1 24 VAL MG1 1.999 . 2.478 2.129 2.121 2.132 . 0 0 "[ . 1 .]" 1
255 1 24 VAL HB 1 24 VAL MG2 2.954 . 4.001 2.124 2.114 2.130 . 0 0 "[ . 1 .]" 1
256 1 24 VAL HB 1 25 LYS H 3.604 2.045 5.163 2.186 2.048 2.378 . 0 0 "[ . 1 .]" 1
257 1 24 VAL HB 1 27 ALA H 3.702 2.057 5.347 5.398 5.375 5.445 0.098 15 0 "[ . 1 .]" 1
258 1 24 VAL MG1 1 24 VAL MG2 3.154 . 4.347 2.072 2.039 2.085 . 0 0 "[ . 1 .]" 1
259 1 24 VAL MG1 1 25 LYS H 2.974 . 4.035 2.835 2.694 3.068 . 0 0 "[ . 1 .]" 1
260 1 24 VAL MG1 1 25 LYS HA 2.651 . 3.494 3.022 2.925 3.169 . 0 0 "[ . 1 .]" 1
261 1 24 VAL MG1 1 25 LYS HE2 4.409 2.076 6.742 4.344 3.748 5.003 . 0 0 "[ . 1 .]" 1
262 1 24 VAL MG1 1 27 ALA MB 3.800 2.068 5.532 3.958 3.752 4.147 . 0 0 "[ . 1 .]" 1
263 1 24 VAL MG1 1 28 LEU MD1 3.902 2.075 4.657 2.196 2.049 2.456 0.026 9 0 "[ . 1 .]" 1
264 1 24 VAL MG1 1 42 LEU MD2 5.063 . 8.139 3.785 3.494 4.246 . 0 0 "[ . 1 .]" 1
265 1 24 VAL MG1 1 42 LEU HG 4.228 2.082 6.374 4.351 4.093 4.638 . 0 0 "[ . 1 .]" 1
266 1 24 VAL MG2 1 25 LYS HD2 3.534 2.035 5.033 4.129 3.964 4.823 . 0 0 "[ . 1 .]" 1
267 1 24 VAL MG2 1 42 LEU MD2 3.005 . 4.088 2.307 2.034 2.712 . 0 0 "[ . 1 .]" 1
268 1 24 VAL MG2 1 42 LEU HG 3.191 . 4.413 3.227 3.031 3.564 . 0 0 "[ . 1 .]" 1
269 1 25 LYS H 1 25 LYS HB3 2.969 . 4.027 3.584 3.555 3.594 . 0 0 "[ . 1 .]" 1
270 1 25 LYS H 1 25 LYS HD2 3.081 . 4.220 2.206 1.936 3.646 0.006 10 0 "[ . 1 .]" 1
271 1 25 LYS H 1 26 ARG H 2.705 . 3.583 2.821 2.565 2.928 . 0 0 "[ . 1 .]" 1
272 1 25 LYS H 1 26 ARG HA 4.288 2.082 6.494 5.382 5.176 5.462 . 0 0 "[ . 1 .]" 1
273 1 25 LYS HA 1 25 LYS HB2 2.333 . 2.986 3.007 2.996 3.013 0.027 10 0 "[ . 1 .]" 1
274 1 25 LYS HA 1 25 LYS HB3 2.512 . 3.269 2.564 2.540 2.600 . 0 0 "[ . 1 .]" 1
275 1 25 LYS HA 1 25 LYS HD2 2.882 . 3.879 3.160 2.990 3.848 . 0 0 "[ . 1 .]" 1
276 1 25 LYS HA 1 25 LYS HD3 3.864 2.072 5.656 3.838 2.973 4.011 . 0 0 "[ . 1 .]" 1
277 1 25 LYS HA 1 25 LYS HE2 4.633 2.058 7.208 4.901 4.526 5.269 . 0 0 "[ . 1 .]" 1
278 1 25 LYS HA 1 25 LYS HE3 4.742 2.044 7.440 5.027 4.468 5.411 . 0 0 "[ . 1 .]" 1
279 1 25 LYS HA 1 25 LYS HG3 2.154 . 2.711 2.340 2.275 2.377 . 0 0 "[ . 1 .]" 1
280 1 25 LYS HA 1 26 ARG H 4.165 2.084 6.246 3.552 3.487 3.579 . 0 0 "[ . 1 .]" 1
281 1 25 LYS HA 1 28 LEU H 3.347 2.003 4.691 3.331 3.199 3.436 . 0 0 "[ . 1 .]" 1
282 1 25 LYS HA 1 28 LEU HB2 1.965 . 2.429 2.491 2.459 2.529 0.100 2 0 "[ . 1 .]" 1
283 1 25 LYS HA 1 28 LEU MD1 3.361 2.006 4.716 2.364 2.075 2.627 . 0 0 "[ . 1 .]" 1
284 1 25 LYS HB2 1 25 LYS HE3 3.643 2.050 5.236 4.391 2.184 4.673 . 0 0 "[ . 1 .]" 1
285 1 25 LYS HB2 1 25 LYS HG2 2.815 . 3.766 2.528 2.511 2.541 . 0 0 "[ . 1 .]" 1
286 1 25 LYS HB2 1 25 LYS HG3 2.929 . 3.959 2.995 2.989 2.999 . 0 0 "[ . 1 .]" 1
287 1 25 LYS HB2 1 26 ARG H 3.010 . 4.097 2.740 2.603 3.065 . 0 0 "[ . 1 .]" 1
288 1 25 LYS HB3 1 25 LYS HG3 1.982 . 2.453 2.526 2.514 2.540 0.087 4 0 "[ . 1 .]" 1
289 1 25 LYS HB3 1 26 ARG H 3.148 . 4.337 3.508 3.368 3.716 . 0 0 "[ . 1 .]" 1
290 1 25 LYS HB3 1 27 ALA H 4.166 2.083 6.249 5.432 5.226 5.581 . 0 0 "[ . 1 .]" 1
291 1 25 LYS HD2 1 25 LYS HE2 2.830 . 3.791 2.632 2.395 3.017 . 0 0 "[ . 1 .]" 1
292 1 25 LYS HD2 1 25 LYS HG2 2.933 . 3.965 2.955 2.583 3.014 . 0 0 "[ . 1 .]" 1
293 1 25 LYS HD2 1 25 LYS HG3 1.968 . 2.433 2.368 2.272 2.405 . 0 0 "[ . 1 .]" 1
294 1 25 LYS HD3 1 25 LYS HG2 2.983 . 4.051 2.581 2.493 2.982 . 0 0 "[ . 1 .]" 1
295 1 25 LYS HE2 1 25 LYS HG2 3.665 2.054 5.276 2.780 2.408 3.619 . 0 0 "[ . 1 .]" 1
296 1 25 LYS HE2 1 25 LYS HG3 4.537 2.066 7.008 2.992 2.579 4.210 . 0 0 "[ . 1 .]" 1
297 1 25 LYS HE3 1 25 LYS HG2 3.809 2.068 5.550 3.345 2.798 3.672 . 0 0 "[ . 1 .]" 1
298 1 25 LYS HE3 1 25 LYS HG3 3.679 2.055 5.303 3.411 2.544 4.199 . 0 0 "[ . 1 .]" 1
299 1 26 ARG H 1 26 ARG QB 2.726 . 3.618 2.340 2.278 2.442 . 0 0 "[ . 1 .]" 1
300 1 26 ARG H 1 26 ARG HD3 4.485 2.071 6.899 4.351 3.865 4.981 . 0 0 "[ . 1 .]" 1
301 1 26 ARG H 1 26 ARG HG2 2.674 . 3.532 2.586 2.391 2.728 . 0 0 "[ . 1 .]" 1
302 1 26 ARG H 1 27 ALA H 2.159 . 2.718 2.613 2.417 2.681 . 0 0 "[ . 1 .]" 1
303 1 26 ARG HA 1 26 ARG QB 2.203 . 2.785 2.170 2.162 2.180 . 0 0 "[ . 1 .]" 1
304 1 26 ARG HA 1 27 ALA H 3.108 . 4.267 3.523 3.495 3.537 . 0 0 "[ . 1 .]" 1
305 1 26 ARG QB 1 26 ARG HD3 1.921 . 2.364 2.600 2.332 3.284 0.920 9 4 "[ ** +1 -.]" 1
306 1 26 ARG QB 1 26 ARG HG2 2.662 . 3.512 2.345 2.211 2.384 . 0 0 "[ . 1 .]" 1
307 1 26 ARG HD3 1 26 ARG HG2 1.927 . 2.373 2.506 2.411 3.010 0.637 4 2 "[ +. 1 - .]" 1
308 1 26 ARG HG2 1 27 ALA H 1.814 . 2.209 2.354 2.214 3.069 0.860 12 2 "[ - . 1 + .]" 1
309 1 26 ARG HG2 1 30 ILE MD 3.400 2.013 4.787 4.505 4.295 5.066 0.279 2 0 "[ . 1 .]" 1
310 1 27 ALA H 1 27 ALA MB 4.418 2.076 6.760 2.248 2.177 2.261 . 0 0 "[ . 1 .]" 1
311 1 27 ALA HA 1 27 ALA MB 3.243 . 4.505 2.129 2.116 2.132 . 0 0 "[ . 1 .]" 1
312 1 27 ALA HA 1 30 ILE HB 2.922 . 3.946 3.121 2.798 3.450 . 0 0 "[ . 1 .]" 1
313 1 27 ALA HA 1 30 ILE MD 3.353 2.004 4.702 3.118 2.222 3.505 . 0 0 "[ . 1 .]" 1
314 1 28 LEU H 1 28 LEU HB3 2.977 . 4.041 3.559 3.532 3.583 . 0 0 "[ . 1 .]" 1
315 1 28 LEU H 1 28 LEU MD2 3.118 . 4.284 3.750 3.269 3.933 . 0 0 "[ . 1 .]" 1
316 1 28 LEU H 1 28 LEU HG 2.969 . 4.027 2.717 2.387 2.912 . 0 0 "[ . 1 .]" 1
317 1 28 LEU H 1 29 GLU H 3.306 . 4.617 2.507 2.326 2.833 . 0 0 "[ . 1 .]" 1
318 1 28 LEU H 1 29 GLU HA 4.086 2.082 6.090 5.128 4.989 5.359 . 0 0 "[ . 1 .]" 1
319 1 28 LEU HA 1 28 LEU MD1 3.213 . 4.452 3.833 3.788 3.864 . 0 0 "[ . 1 .]" 1
320 1 28 LEU HA 1 28 LEU MD2 3.096 . 4.246 2.009 1.929 2.087 0.017 14 0 "[ . 1 .]" 1
321 1 28 LEU HA 1 28 LEU HG 2.981 . 4.048 2.897 2.759 3.155 . 0 0 "[ . 1 .]" 1
322 1 28 LEU HA 1 29 GLU HA 4.073 2.082 6.064 4.763 4.705 4.835 . 0 0 "[ . 1 .]" 1
323 1 28 LEU HA 1 33 ASN HA 4.101 2.083 6.119 3.990 3.545 4.655 . 0 0 "[ . 1 .]" 1
324 1 28 LEU HA 1 38 ALA MB 3.566 2.040 5.092 2.772 2.408 3.350 . 0 0 "[ . 1 .]" 1
325 1 28 LEU HB2 1 28 LEU MD1 2.507 . 3.261 2.272 2.056 2.433 . 0 0 "[ . 1 .]" 1
326 1 28 LEU HB2 1 28 LEU MD2 2.783 . 3.713 3.184 3.176 3.197 . 0 0 "[ . 1 .]" 1
327 1 28 LEU HB2 1 29 GLU HA 4.057 2.082 6.032 4.436 4.243 4.523 . 0 0 "[ . 1 .]" 1
328 1 28 LEU HB3 1 28 LEU MD1 2.678 . 3.538 2.398 2.231 2.535 . 0 0 "[ . 1 .]" 1
329 1 28 LEU HB3 1 28 LEU MD2 2.089 . 2.612 2.343 2.317 2.397 . 0 0 "[ . 1 .]" 1
330 1 28 LEU HB3 1 29 GLU H 3.222 . 4.468 3.402 3.061 3.815 . 0 0 "[ . 1 .]" 1
331 1 28 LEU HB3 1 29 GLU HA 4.119 2.083 6.155 4.186 4.035 4.393 . 0 0 "[ . 1 .]" 1
332 1 28 LEU MD1 1 28 LEU HG 2.711 . 3.593 2.116 2.089 2.127 . 0 0 "[ . 1 .]" 1
333 1 28 LEU MD1 1 29 GLU H 3.954 2.078 5.830 4.452 4.133 4.792 . 0 0 "[ . 1 .]" 1
334 1 28 LEU MD1 1 29 GLU HA 4.201 2.084 6.318 5.691 5.558 5.786 . 0 0 "[ . 1 .]" 1
335 1 28 LEU MD2 1 28 LEU HG 2.780 . 3.707 2.115 2.093 2.121 . 0 0 "[ . 1 .]" 1
336 1 28 LEU MD2 1 33 ASN H 4.121 2.083 6.159 5.120 4.689 5.646 . 0 0 "[ . 1 .]" 1
337 1 28 LEU MD2 1 33 ASN HA 3.398 2.013 4.783 3.564 3.178 4.140 . 0 0 "[ . 1 .]" 1
338 1 28 LEU MD2 1 33 ASN QB 4.309 2.080 6.538 4.651 4.201 5.337 . 0 0 "[ . 1 .]" 1
339 1 28 LEU MD2 1 34 ASN H 4.788 2.037 7.539 3.891 3.018 4.764 . 0 0 "[ . 1 .]" 1
340 1 28 LEU MD2 1 35 VAL H 4.971 2.006 7.936 3.928 3.440 4.793 . 0 0 "[ . 1 .]" 1
341 1 28 LEU MD2 1 35 VAL HA 3.021 . 4.116 2.412 2.056 3.106 . 0 0 "[ . 1 .]" 1
342 1 28 LEU MD2 1 35 VAL QG 3.491 2.028 4.954 3.161 2.738 3.414 . 0 0 "[ . 1 .]" 1
343 1 28 LEU MD2 1 38 ALA H 4.549 2.066 7.032 4.416 4.071 4.692 . 0 0 "[ . 1 .]" 1
344 1 29 GLU H 1 29 GLU HB2 3.095 . 4.245 2.602 2.404 3.601 . 0 0 "[ . 1 .]" 1
345 1 29 GLU H 1 30 ILE H 3.784 2.066 5.502 2.730 2.477 3.016 . 0 0 "[ . 1 .]" 1
346 1 29 GLU H 1 30 ILE HA 4.133 2.084 6.182 5.315 5.095 5.537 . 0 0 "[ . 1 .]" 1
347 1 29 GLU HA 1 29 GLU HB2 2.264 . 2.879 2.684 2.442 3.023 0.144 14 0 "[ . 1 .]" 1
348 1 29 GLU HA 1 29 GLU HB3 2.373 . 3.049 2.767 2.415 3.025 . 0 0 "[ . 1 .]" 1
349 1 29 GLU HB2 1 30 ILE HA 4.766 2.040 7.492 4.977 4.195 5.615 . 0 0 "[ . 1 .]" 1
350 1 30 ILE H 1 30 ILE HG13 1.880 . 2.304 2.122 1.988 2.302 . 0 0 "[ . 1 .]" 1
351 1 30 ILE H 1 31 ALA H 3.612 2.046 5.178 2.826 2.681 3.017 . 0 0 "[ . 1 .]" 1
352 1 30 ILE HA 1 30 ILE MD 3.786 2.066 5.506 3.818 3.799 3.834 . 0 0 "[ . 1 .]" 1
353 1 30 ILE HA 1 30 ILE HG12 1.999 . 2.478 2.508 2.484 2.538 0.060 11 0 "[ . 1 .]" 1
354 1 30 ILE HA 1 30 ILE HG13 3.809 2.068 5.550 2.917 2.784 3.014 . 0 0 "[ . 1 .]" 1
355 1 30 ILE HA 1 30 ILE MG 2.025 . 2.517 2.424 2.401 2.454 . 0 0 "[ . 1 .]" 1
356 1 30 ILE HA 1 31 ALA H 4.183 2.084 6.282 3.554 3.536 3.574 . 0 0 "[ . 1 .]" 1
357 1 30 ILE HB 1 30 ILE MD 3.129 . 4.304 2.411 2.374 2.433 . 0 0 "[ . 1 .]" 1
358 1 30 ILE HB 1 30 ILE MG 3.069 . 4.199 2.091 2.084 2.101 . 0 0 "[ . 1 .]" 1
359 1 30 ILE HB 1 31 ALA H 2.083 . 2.604 2.517 2.236 2.623 0.019 12 0 "[ . 1 .]" 1
360 1 30 ILE MD 1 30 ILE HG12 3.140 . 4.323 2.119 2.118 2.121 . 0 0 "[ . 1 .]" 1
361 1 30 ILE MD 1 30 ILE HG13 2.016 . 2.504 2.120 2.119 2.122 . 0 0 "[ . 1 .]" 1
362 1 30 ILE MD 1 31 ALA HA 4.497 2.070 6.924 5.929 5.898 5.991 . 0 0 "[ . 1 .]" 1
363 1 30 ILE HG12 1 32 GLN H 4.386 2.078 6.694 5.968 5.828 6.176 . 0 0 "[ . 1 .]" 1
364 1 30 ILE MG 1 31 ALA H 3.819 2.069 5.569 3.301 2.747 3.503 . 0 0 "[ . 1 .]" 1
365 1 30 ILE MG 1 31 ALA HA 2.788 . 3.721 3.449 3.250 3.556 . 0 0 "[ . 1 .]" 1
366 1 31 ALA H 1 31 ALA HA 2.252 . 2.861 2.878 2.855 2.903 0.042 14 0 "[ . 1 .]" 1
367 1 31 ALA H 1 31 ALA MB 3.509 2.031 4.987 2.269 2.245 2.299 . 0 0 "[ . 1 .]" 1
368 1 31 ALA HA 1 31 ALA MB 3.325 . 4.651 2.126 2.124 2.129 . 0 0 "[ . 1 .]" 1
369 1 31 ALA HA 1 37 VAL HB 3.907 2.075 5.739 4.889 4.024 5.793 0.054 11 0 "[ . 1 .]" 1
370 1 31 ALA MB 1 32 GLN H 4.087 2.082 6.092 3.598 3.404 3.700 . 0 0 "[ . 1 .]" 1
371 1 31 ALA MB 1 32 GLN HG3 4.337 2.080 6.594 5.025 4.236 6.428 . 0 0 "[ . 1 .]" 1
372 1 31 ALA MB 1 33 ASN H 3.807 2.068 5.546 3.878 3.644 4.225 . 0 0 "[ . 1 .]" 1
373 1 31 ALA MB 1 34 ASN H 3.741 2.062 5.420 2.851 2.513 3.611 . 0 0 "[ . 1 .]" 1
374 1 31 ALA MB 1 34 ASN HB2 4.079 2.084 6.076 2.302 2.065 2.925 0.019 3 0 "[ . 1 .]" 1
375 1 31 ALA MB 1 37 VAL H 4.593 2.061 7.125 4.314 3.752 5.011 . 0 0 "[ . 1 .]" 1
376 1 32 GLN H 1 32 GLN HB2 3.192 . 4.414 3.522 3.188 3.674 . 0 0 "[ . 1 .]" 1
377 1 32 GLN H 1 32 GLN HG3 3.293 . 4.594 3.447 2.770 4.687 0.093 9 0 "[ . 1 .]" 1
378 1 32 GLN H 1 33 ASN H 3.677 2.054 5.300 3.548 2.769 4.216 . 0 0 "[ . 1 .]" 1
379 1 32 GLN HA 1 32 GLN HB2 2.822 . 3.778 2.939 2.390 3.025 . 0 0 "[ . 1 .]" 1
380 1 32 GLN HA 1 32 GLN HG3 2.772 . 3.694 3.194 2.688 3.773 0.079 15 0 "[ . 1 .]" 1
381 1 32 GLN HA 1 33 ASN H 2.944 . 3.984 3.194 2.633 3.567 . 0 0 "[ . 1 .]" 1
382 1 32 GLN HB2 1 32 GLN HG3 1.980 . 2.451 2.415 2.348 2.454 0.003 7 0 "[ . 1 .]" 1
383 1 32 GLN HB2 1 33 ASN H 3.979 2.080 5.878 3.095 1.753 4.347 0.327 13 0 "[ . 1 .]" 1
384 1 33 ASN H 1 33 ASN QB 4.280 2.082 6.392 3.117 2.787 3.348 . 0 0 "[ . 1 .]" 1
385 1 33 ASN H 1 34 ASN H 2.282 . 2.907 2.251 1.618 2.924 0.039 2 0 "[ . 1 .]" 1
386 1 33 ASN HA 1 33 ASN QB 3.546 2.048 5.055 2.322 2.176 2.406 . 0 0 "[ . 1 .]" 1
387 1 34 ASN H 1 34 ASN HB2 3.413 2.015 4.811 2.512 2.395 2.642 . 0 0 "[ . 1 .]" 1
388 1 34 ASN H 1 34 ASN HB3 3.483 2.027 4.939 3.667 3.584 3.774 . 0 0 "[ . 1 .]" 1
389 1 34 ASN H 1 35 VAL H 4.632 2.058 7.206 4.363 3.948 4.536 . 0 0 "[ . 1 .]" 1
390 1 34 ASN H 1 35 VAL QG 4.267 2.083 6.451 5.110 4.926 5.266 . 0 0 "[ . 1 .]" 1
391 1 34 ASN H 1 37 VAL HB 4.576 2.063 7.089 5.160 4.736 6.443 . 0 0 "[ . 1 .]" 1
392 1 34 ASN HA 1 34 ASN HB2 2.306 . 2.944 3.011 2.995 3.018 0.074 9 0 "[ . 1 .]" 1
393 1 34 ASN HA 1 34 ASN HB3 2.178 . 2.747 2.514 2.460 2.606 . 0 0 "[ . 1 .]" 1
394 1 34 ASN HA 1 35 VAL H 3.757 2.064 5.450 2.141 2.131 2.163 . 0 0 "[ . 1 .]" 1
395 1 34 ASN HA 1 35 VAL HA 5.095 . 8.210 4.378 4.353 4.437 . 0 0 "[ . 1 .]" 1
396 1 34 ASN HA 1 37 VAL HB 4.175 2.083 6.267 5.509 5.116 6.245 . 0 0 "[ . 1 .]" 1
397 1 34 ASN HB2 1 35 VAL H 4.742 2.043 7.441 4.301 4.203 4.480 . 0 0 "[ . 1 .]" 1
398 1 34 ASN HB2 1 37 VAL HB 3.777 2.065 5.489 3.095 2.773 4.069 . 0 0 "[ . 1 .]" 1
399 1 34 ASN HB2 1 37 VAL MG1 3.742 2.061 5.423 4.164 2.129 4.663 . 0 0 "[ . 1 .]" 1
400 1 34 ASN HB3 1 35 VAL H 4.593 2.061 7.125 3.416 3.209 3.813 . 0 0 "[ . 1 .]" 1
401 1 34 ASN HB3 1 35 VAL QG 3.864 2.072 5.656 4.368 4.227 4.887 . 0 0 "[ . 1 .]" 1
402 1 34 ASN HB3 1 37 VAL HB 3.286 . 4.582 3.416 2.856 3.844 . 0 0 "[ . 1 .]" 1
403 1 34 ASN HB3 1 37 VAL MG1 3.650 2.051 5.249 4.580 2.298 5.036 . 0 0 "[ . 1 .]" 1
404 1 34 ASN HB3 1 38 ALA H 5.212 . 8.472 4.069 3.661 4.407 . 0 0 "[ . 1 .]" 1
405 1 35 VAL H 1 35 VAL HB 3.612 2.046 5.178 3.072 2.501 3.235 . 0 0 "[ . 1 .]" 1
406 1 35 VAL H 1 35 VAL QG 3.573 2.041 5.105 1.855 1.786 2.274 0.255 10 0 "[ . 1 .]" 1
407 1 35 VAL H 1 36 GLU H 3.790 2.067 5.513 2.383 2.263 2.632 . 0 0 "[ . 1 .]" 1
408 1 35 VAL HA 1 35 VAL QG 2.208 . 2.793 2.475 2.142 2.528 . 0 0 "[ . 1 .]" 1
409 1 35 VAL HA 1 38 ALA H 4.331 2.080 6.582 3.468 3.233 3.699 . 0 0 "[ . 1 .]" 1
410 1 35 VAL HA 1 38 ALA MB 3.031 . 4.133 2.192 1.954 2.531 . 0 0 "[ . 1 .]" 1
411 1 35 VAL HA 1 39 ARG H 2.963 . 4.016 3.965 3.802 4.029 0.013 13 0 "[ . 1 .]" 1
412 1 35 VAL HB 1 35 VAL QG 1.949 . 2.405 1.887 1.882 1.892 . 0 0 "[ . 1 .]" 1
413 1 35 VAL HB 1 38 ALA MB 3.730 2.061 5.399 4.150 3.802 4.761 . 0 0 "[ . 1 .]" 1
414 1 35 VAL QG 1 36 GLU HA 3.885 2.074 5.696 3.036 2.842 3.488 . 0 0 "[ . 1 .]" 1
415 1 35 VAL QG 1 36 GLU HG2 3.853 2.071 5.635 3.425 2.668 4.559 . 0 0 "[ . 1 .]" 1
416 1 35 VAL QG 1 39 ARG HG3 2.582 . 3.382 2.163 1.934 3.200 . 0 0 "[ . 1 .]" 1
417 1 36 GLU HA 1 36 GLU HB2 2.298 . 2.932 2.922 2.538 3.015 0.083 5 0 "[ . 1 .]" 1
418 1 36 GLU HA 1 36 GLU HB3 2.080 . 2.599 2.445 2.336 2.551 . 0 0 "[ . 1 .]" 1
419 1 36 GLU HA 1 36 GLU HG2 3.431 2.019 4.843 3.026 2.496 3.675 . 0 0 "[ . 1 .]" 1
420 1 36 GLU HA 1 37 VAL H 4.529 2.068 6.990 3.571 3.562 3.584 . 0 0 "[ . 1 .]" 1
421 1 36 GLU HA 1 39 ARG H 4.072 2.082 6.062 3.513 3.367 3.595 . 0 0 "[ . 1 .]" 1
422 1 36 GLU HA 1 39 ARG HB2 2.075 . 2.592 2.653 2.606 2.940 0.348 3 0 "[ . 1 .]" 1
423 1 36 GLU HA 1 39 ARG HG3 4.417 2.076 6.758 3.877 3.548 4.649 . 0 0 "[ . 1 .]" 1
424 1 36 GLU HB2 1 36 GLU HG2 2.769 . 3.689 2.826 2.434 3.009 . 0 0 "[ . 1 .]" 1
425 1 36 GLU HB2 1 37 VAL H 3.573 2.041 5.105 2.451 2.149 3.363 . 0 0 "[ . 1 .]" 1
426 1 37 VAL H 1 37 VAL MG1 3.321 . 4.645 3.648 1.978 3.771 0.019 11 0 "[ . 1 .]" 1
427 1 37 VAL H 1 38 ALA H 3.673 2.055 5.291 2.698 2.601 2.810 . 0 0 "[ . 1 .]" 1
428 1 37 VAL HA 1 37 VAL MG1 3.085 . 4.227 2.431 2.320 3.208 . 0 0 "[ . 1 .]" 1
429 1 37 VAL HB 1 37 VAL MG1 1.957 . 2.417 2.126 2.123 2.128 . 0 0 "[ . 1 .]" 1
430 1 37 VAL HB 1 37 VAL MG2 1.951 . 2.408 2.128 2.127 2.130 . 0 0 "[ . 1 .]" 1
431 1 38 ALA H 1 38 ALA MB 1.828 . 2.229 2.160 2.155 2.167 . 0 0 "[ . 1 .]" 1
432 1 38 ALA H 1 39 ARG H 2.582 . 3.382 2.624 2.550 2.742 . 0 0 "[ . 1 .]" 1
433 1 38 ALA HA 1 38 ALA MB 2.859 . 3.840 2.119 2.115 2.122 . 0 0 "[ . 1 .]" 1
434 1 38 ALA HA 1 39 ARG H 2.936 . 3.971 3.489 3.417 3.531 . 0 0 "[ . 1 .]" 1
435 1 38 ALA MB 1 39 ARG H 3.262 . 4.539 2.752 2.467 2.977 . 0 0 "[ . 1 .]" 1
436 1 38 ALA MB 1 42 LEU HG 4.252 2.083 6.421 4.744 4.397 4.959 . 0 0 "[ . 1 .]" 1
437 1 39 ARG H 1 39 ARG HB2 3.252 . 4.521 2.260 2.205 2.461 . 0 0 "[ . 1 .]" 1
438 1 39 ARG H 1 39 ARG HG3 3.933 2.077 5.789 2.916 2.633 4.450 . 0 0 "[ . 1 .]" 1
439 1 39 ARG H 1 40 SER H 3.850 2.072 5.628 2.520 2.348 2.660 . 0 0 "[ . 1 .]" 1
440 1 39 ARG H 1 42 LEU HG 4.692 2.050 7.334 5.997 5.484 6.414 . 0 0 "[ . 1 .]" 1
441 1 39 ARG HA 1 39 ARG HB2 2.424 . 3.129 2.969 2.564 3.006 . 0 0 "[ . 1 .]" 1
442 1 39 ARG HA 1 39 ARG HD2 4.635 2.057 7.213 4.704 4.669 4.765 . 0 0 "[ . 1 .]" 1
443 1 39 ARG HA 1 39 ARG HG3 2.241 . 2.844 2.783 2.655 2.866 0.022 3 0 "[ . 1 .]" 1
444 1 39 ARG HA 1 42 LEU H 2.720 . 3.608 3.159 2.964 3.323 . 0 0 "[ . 1 .]" 1
445 1 39 ARG HA 1 42 LEU HB2 2.420 . 3.122 2.411 2.040 2.944 . 0 0 "[ . 1 .]" 1
446 1 39 ARG HA 1 42 LEU HB3 2.347 . 3.008 2.519 2.298 2.858 . 0 0 "[ . 1 .]" 1
447 1 39 ARG HA 1 42 LEU HG 3.510 2.032 4.988 3.653 3.323 4.201 . 0 0 "[ . 1 .]" 1
448 1 39 ARG HB2 1 39 ARG HD3 1.941 . 2.393 2.448 2.407 2.770 0.377 3 0 "[ . 1 .]" 1
449 1 39 ARG HB2 1 40 SER H 3.720 2.059 5.381 2.891 2.644 3.825 . 0 0 "[ . 1 .]" 1
450 1 39 ARG HD2 1 39 ARG HG3 1.942 . 2.394 2.414 2.366 2.431 0.037 8 0 "[ . 1 .]" 1
451 1 39 ARG HD3 1 39 ARG HG3 1.954 . 2.412 2.448 2.432 2.494 0.082 3 0 "[ . 1 .]" 1
452 1 40 SER H 1 40 SER HB3 3.441 2.020 4.862 2.867 2.436 3.597 . 0 0 "[ . 1 .]" 1
453 1 42 LEU H 1 42 LEU HB2 1.817 . 2.213 2.246 2.141 2.312 0.099 4 0 "[ . 1 .]" 1
454 1 42 LEU H 1 42 LEU HB3 3.209 . 4.445 2.773 2.680 2.995 . 0 0 "[ . 1 .]" 1
455 1 42 LEU H 1 42 LEU MD2 3.187 . 4.406 3.810 3.525 3.909 . 0 0 "[ . 1 .]" 1
456 1 42 LEU H 1 42 LEU HG 3.374 2.008 4.740 4.514 4.484 4.554 . 0 0 "[ . 1 .]" 1
457 1 42 LEU HA 1 42 LEU HB3 2.989 . 4.061 2.998 2.951 3.014 . 0 0 "[ . 1 .]" 1
458 1 42 LEU HA 1 42 LEU MD2 3.275 . 4.562 1.876 1.821 1.924 0.167 1 0 "[ . 1 .]" 1
459 1 42 LEU HA 1 42 LEU HG 3.293 . 4.594 3.671 3.652 3.686 . 0 0 "[ . 1 .]" 1
460 1 42 LEU HB2 1 42 LEU MD2 2.249 . 2.856 2.484 2.405 2.569 . 0 0 "[ . 1 .]" 1
461 1 42 LEU HB3 1 42 LEU MD2 3.751 2.063 5.439 3.198 3.188 3.203 . 0 0 "[ . 1 .]" 1
462 1 42 LEU MD1 1 42 LEU MD2 3.534 2.035 5.033 2.088 2.086 2.089 . 0 0 "[ . 1 .]" 1
463 1 42 LEU MD1 1 42 LEU HG 2.953 . 4.000 2.124 2.121 2.128 . 0 0 "[ . 1 .]" 1
464 1 42 LEU MD2 1 42 LEU HG 2.202 . 2.784 2.127 2.126 2.129 . 0 0 "[ . 1 .]" 1
465 1 43 ARG H 1 43 ARG QB 3.293 . 4.594 2.313 2.229 2.498 . 0 0 "[ . 1 .]" 1
466 1 43 ARG H 1 44 GLU H 3.235 . 4.491 2.591 2.239 3.069 . 0 0 "[ . 1 .]" 1
467 1 43 ARG HA 1 43 ARG QB 2.595 . 3.403 2.354 2.333 2.383 . 0 0 "[ . 1 .]" 1
468 1 43 ARG HA 1 43 ARG QD 2.211 . 2.798 2.507 2.092 2.751 . 0 0 "[ . 1 .]" 1
469 1 43 ARG HA 1 44 GLU H 3.530 2.035 5.025 3.519 3.351 3.574 . 0 0 "[ . 1 .]" 1
470 1 43 ARG QB 1 43 ARG QD 1.918 . 2.360 2.235 2.115 2.370 0.010 12 0 "[ . 1 .]" 1
471 1 43 ARG QD 1 43 ARG HG3 1.951 . 2.408 2.332 2.154 2.408 0.000 6 0 "[ . 1 .]" 1
472 1 43 ARG HG3 1 44 GLU H 3.188 . 4.408 3.927 3.102 5.058 0.650 1 2 "[+ . 1 - .]" 1
473 1 44 GLU H 1 44 GLU HB2 3.180 . 4.393 2.618 2.315 3.674 . 0 0 "[ . 1 .]" 1
474 1 46 ALA H 1 46 ALA HA 2.850 . 3.825 2.824 2.273 2.947 . 0 0 "[ . 1 .]" 1
475 1 46 ALA H 1 46 ALA MB 2.556 . 3.340 2.511 2.241 2.847 . 0 0 "[ . 1 .]" 1
476 1 46 ALA HA 1 46 ALA MB 2.344 . 3.003 2.127 2.120 2.129 . 0 0 "[ . 1 .]" 1
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