NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632416 |
6ahz   |
36207 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ahz
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 543
_Distance_constraint_stats_list.Viol_count 922
_Distance_constraint_stats_list.Viol_total 2260.208
_Distance_constraint_stats_list.Viol_max 0.958
_Distance_constraint_stats_list.Viol_rms 0.0565
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.1226
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 0.008 0.007 4 0 "[ . 1 . 2]"
1 2 LYS 0.445 0.170 10 0 "[ . 1 . 2]"
1 3 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 2.091 0.444 14 0 "[ . 1 . 2]"
1 5 LEU 2.619 0.467 18 0 "[ . 1 . 2]"
1 6 LYS 1.172 0.532 12 2 "[ . 1 +- . 2]"
1 7 VAL 2.144 0.532 12 2 "[ . 1 +- . 2]"
1 8 ARG 12.999 0.901 19 4 "[ . * -* +2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 2.845 0.202 16 0 "[ . 1 . 2]"
1 11 TYR 10.032 0.389 7 0 "[ . 1 . 2]"
1 12 PRO 4.455 0.238 2 0 "[ . 1 . 2]"
1 13 SER 4.493 0.241 14 0 "[ . 1 . 2]"
1 14 LEU 2.240 0.180 17 0 "[ . 1 . 2]"
1 15 ARG 7.476 0.389 7 0 "[ . 1 . 2]"
1 16 LEU 6.037 0.241 14 0 "[ . 1 . 2]"
1 17 ILE 7.358 0.311 13 0 "[ . 1 . 2]"
1 18 HIS 1.268 0.180 17 0 "[ . 1 . 2]"
1 19 ALA 4.608 0.141 12 0 "[ . 1 . 2]"
1 20 VAL 1.841 0.927 8 1 "[ . + 1 . 2]"
1 21 ARG 4.172 0.927 8 1 "[ . + 1 . 2]"
1 22 GLY 3.190 0.958 14 1 "[ . 1 +. 2]"
1 23 TYR 12.629 0.784 14 7 "[* . -1* +. ***]"
1 24 TRP 2.165 0.109 2 0 "[ . 1 . 2]"
1 25 LEU 8.105 0.958 14 1 "[ . 1 +. 2]"
1 26 THR 3.628 0.485 14 0 "[ . 1 . 2]"
1 27 ASN 11.799 0.784 14 7 "[* . -1* +. ***]"
1 28 LYS 14.308 0.952 12 8 "[ * -**1 + *** 2]"
1 29 VAL 3.069 0.703 5 1 "[ + 1 . 2]"
1 30 PRO 1.910 0.303 14 0 "[ . 1 . 2]"
1 31 ILE 11.067 0.536 2 4 "[ + . - 1 * *]"
1 32 LYS 9.645 0.713 13 5 "[ * . - 1 + * *]"
1 33 ARG 7.115 0.421 20 0 "[ . 1 . 2]"
1 34 PRO 1.482 0.299 18 0 "[ . 1 . 2]"
1 35 SER 2.718 0.421 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LEU HA 1 1 LEU HB2 2.886 . 3.927 2.833 2.429 3.025 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 1 LEU HB3 2.909 . 3.967 2.652 2.344 3.021 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 1 LEU MD1 2.852 . 3.869 3.018 1.956 3.876 0.007 4 0 "[ . 1 . 2]" 1
4 1 2 LYS HA 1 2 LYS HE2 3.288 . 4.640 3.747 1.876 4.810 0.170 10 0 "[ . 1 . 2]" 1
5 1 2 LYS HA 1 2 LYS HG2 3.285 . 4.634 3.258 2.428 3.752 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS HA 1 2 LYS HG3 3.036 . 4.188 3.218 2.372 3.798 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASN HA 1 3 ASN HB2 2.950 . 4.038 2.600 2.405 3.023 . 0 0 "[ . 1 . 2]" 1
8 1 3 ASN HA 1 3 ASN HB3 2.650 . 3.528 2.682 2.416 3.030 . 0 0 "[ . 1 . 2]" 1
9 1 3 ASN QB 1 3 ASN HD21 3.638 . 5.293 2.168 2.138 2.234 . 0 0 "[ . 1 . 2]" 1
10 1 3 ASN QB 1 3 ASN HD22 3.272 . 4.610 3.238 3.208 3.295 . 0 0 "[ . 1 . 2]" 1
11 1 4 LYS H 1 4 LYS HG2 3.581 . 5.184 3.657 2.028 4.604 . 0 0 "[ . 1 . 2]" 1
12 1 4 LYS HA 1 4 LYS HB2 2.413 . 3.141 2.566 2.396 3.022 . 0 0 "[ . 1 . 2]" 1
13 1 4 LYS HA 1 4 LYS HG2 2.849 . 3.864 3.283 2.365 3.827 . 0 0 "[ . 1 . 2]" 1
14 1 4 LYS HA 1 4 LYS HG3 2.992 . 4.111 3.153 2.453 3.832 . 0 0 "[ . 1 . 2]" 1
15 1 4 LYS HA 1 7 VAL HB 3.030 . 6.000 4.676 3.836 5.298 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS HB2 1 4 LYS HG2 2.406 . 3.130 2.213 2.056 2.311 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS HB2 1 4 LYS HG3 2.258 . 2.895 2.055 1.997 2.127 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS HD2 1 4 LYS HE3 2.241 . 2.869 2.104 2.014 2.154 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS HD2 1 4 LYS HG2 2.256 . 2.892 2.174 2.037 2.287 . 0 0 "[ . 1 . 2]" 1
20 1 4 LYS HD2 1 4 LYS HG3 2.216 . 2.830 2.616 2.381 3.018 0.188 16 0 "[ . 1 . 2]" 1
21 1 4 LYS HE3 1 4 LYS HG2 2.774 . 3.736 2.766 2.249 3.485 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS HE3 1 4 LYS HG3 2.796 . 3.773 3.332 2.441 4.217 0.444 14 0 "[ . 1 . 2]" 1
23 1 4 LYS HE3 1 4 LYS HG3 2.798 . 3.777 2.734 2.235 3.512 . 0 0 "[ . 1 . 2]" 1
24 1 4 LYS HG2 1 5 LEU H 3.496 . 5.024 4.059 2.768 5.104 0.080 13 0 "[ . 1 . 2]" 1
25 1 4 LYS HG3 1 5 LEU H 3.400 . 4.845 4.098 2.534 5.137 0.292 4 0 "[ . 1 . 2]" 1
26 1 5 LEU H 1 5 LEU HA 2.356 . 3.050 2.829 2.787 2.895 . 0 0 "[ . 1 . 2]" 1
27 1 5 LEU H 1 5 LEU HB2 2.376 . 3.082 2.355 2.233 2.440 . 0 0 "[ . 1 . 2]" 1
28 1 5 LEU HA 1 5 LEU HB3 2.433 . 3.173 2.716 2.476 3.025 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU HA 1 5 LEU MD1 2.449 . 3.199 2.544 1.918 3.666 0.467 18 0 "[ . 1 . 2]" 1
30 1 5 LEU HA 1 5 LEU MD2 2.565 . 3.387 2.820 1.930 3.683 0.296 3 0 "[ . 1 . 2]" 1
31 1 5 LEU HB3 1 7 VAL H 3.223 . 6.000 5.585 4.954 6.031 0.031 13 0 "[ . 1 . 2]" 1
32 1 5 LEU MD2 1 6 LYS H 3.558 . 5.141 4.217 3.571 4.991 . 0 0 "[ . 1 . 2]" 1
33 1 6 LYS H 1 6 LYS QB 2.823 . 2.862 2.247 2.119 2.454 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS H 1 6 LYS QD 2.546 . 3.356 2.538 1.915 3.307 . 0 0 "[ . 1 . 2]" 1
35 1 6 LYS H 1 6 LYS HG2 3.221 . 4.518 3.716 2.208 4.281 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS HA 1 6 LYS QD 2.285 . 2.937 2.433 1.771 2.898 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS HA 1 6 LYS HG2 2.918 . 3.982 3.528 3.026 3.672 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS HA 1 6 LYS HG3 2.791 . 3.764 2.669 2.345 3.744 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS HA 1 7 VAL H 2.420 . 6.000 3.527 3.474 3.557 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS QB 1 6 LYS HE3 3.320 . 4.448 3.612 2.064 4.491 0.043 19 0 "[ . 1 . 2]" 1
41 1 6 LYS QB 1 6 LYS HG2 2.495 . 3.273 2.188 2.153 2.321 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS QB 1 6 LYS HG3 2.493 . 3.270 2.325 2.155 2.401 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS QB 1 7 VAL H 2.909 . 3.915 2.492 2.112 2.899 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS QB 1 7 VAL HA 3.194 . 4.469 3.796 3.587 4.031 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS QB 1 7 VAL HB 2.944 . 4.027 3.622 3.248 3.763 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS QB 1 7 VAL MG1 2.974 . 4.079 3.790 3.456 4.611 0.532 12 2 "[ . 1 +- . 2]" 1
47 1 6 LYS QD 1 7 VAL H 3.382 . 4.812 4.336 3.942 4.732 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS HE3 1 6 LYS HG3 2.754 . 3.702 3.157 2.520 3.740 0.038 12 0 "[ . 1 . 2]" 1
49 1 7 VAL H 1 7 VAL HA 2.878 . 3.913 2.897 2.827 2.944 . 0 0 "[ . 1 . 2]" 1
50 1 7 VAL H 1 7 VAL HB 2.633 . 3.499 2.632 2.401 3.012 . 0 0 "[ . 1 . 2]" 1
51 1 7 VAL H 1 7 VAL MG1 2.497 . 3.276 2.248 2.010 3.743 0.467 13 0 "[ . 1 . 2]" 1
52 1 7 VAL H 1 8 ARG H 3.421 . 4.884 2.395 2.060 2.792 . 0 0 "[ . 1 . 2]" 1
53 1 7 VAL HA 1 7 VAL HB 2.670 . 3.561 2.536 2.431 3.003 . 0 0 "[ . 1 . 2]" 1
54 1 7 VAL HA 1 7 VAL MG1 2.529 . 3.328 3.145 2.529 3.220 . 0 0 "[ . 1 . 2]" 1
55 1 7 VAL HA 1 7 VAL QG 2.301 . 2.963 2.254 2.114 2.305 . 0 0 "[ . 1 . 2]" 1
56 1 7 VAL HA 1 7 VAL MG2 2.588 . 3.425 2.315 2.266 2.361 . 0 0 "[ . 1 . 2]" 1
57 1 7 VAL HA 1 8 ARG H 2.650 . 3.528 3.370 2.844 3.569 0.041 12 0 "[ . 1 . 2]" 1
58 1 7 VAL HA 1 10 ALA H 3.155 . 4.399 3.480 2.817 4.447 0.048 9 0 "[ . 1 . 2]" 1
59 1 7 VAL HA 1 10 ALA MB 3.002 . 4.128 2.833 1.922 3.681 . 0 0 "[ . 1 . 2]" 1
60 1 7 VAL HB 1 7 VAL MG2 2.077 . 2.616 2.126 2.122 2.130 . 0 0 "[ . 1 . 2]" 1
61 1 7 VAL HB 1 8 ARG H 3.333 . 4.722 4.035 2.608 4.533 . 0 0 "[ . 1 . 2]" 1
62 1 7 VAL HB 1 10 ALA MB 3.708 . 5.426 4.602 3.669 5.454 0.028 12 0 "[ . 1 . 2]" 1
63 1 8 ARG H 1 8 ARG HB2 2.870 . 3.900 2.409 2.041 2.628 . 0 0 "[ . 1 . 2]" 1
64 1 8 ARG H 1 8 ARG HB3 2.464 . 3.223 2.753 2.481 3.571 0.348 11 0 "[ . 1 . 2]" 1
65 1 8 ARG HA 1 8 ARG HB2 2.313 . 2.982 2.571 2.435 2.981 . 0 0 "[ . 1 . 2]" 1
66 1 8 ARG HA 1 8 ARG HD2 2.826 . 3.824 3.456 1.884 4.660 0.836 14 3 "[ . * +- 2]" 1
67 1 8 ARG HA 1 8 ARG HG2 2.491 . 3.266 3.019 2.248 3.698 0.432 2 0 "[ . 1 . 2]" 1
68 1 8 ARG HA 1 8 ARG HG3 2.597 . 3.440 3.080 2.288 3.630 0.190 11 0 "[ . 1 . 2]" 1
69 1 8 ARG HA 1 9 THR H 2.833 . 3.836 3.507 3.419 3.579 . 0 0 "[ . 1 . 2]" 1
70 1 8 ARG HA 1 11 TYR QD 3.491 . 5.015 3.241 1.907 5.049 0.060 10 0 "[ . 1 . 2]" 1
71 1 8 ARG HB2 1 8 ARG HD2 2.567 . 6.000 3.321 2.282 4.204 . 0 0 "[ . 1 . 2]" 1
72 1 8 ARG HB2 1 9 THR H 3.352 . 4.757 3.731 2.833 4.067 . 0 0 "[ . 1 . 2]" 1
73 1 8 ARG HB3 1 8 ARG HD2 2.530 . 3.330 3.212 2.300 4.231 0.901 19 3 "[ . * -. +2]" 1
74 1 8 ARG HB3 1 10 ALA H 2.867 . 6.000 4.859 4.094 5.378 . 0 0 "[ . 1 . 2]" 1
75 1 8 ARG HD2 1 8 ARG HG2 2.341 . 3.026 2.791 2.423 3.015 . 0 0 "[ . 1 . 2]" 1
76 1 8 ARG HD2 1 8 ARG HG3 2.373 . 3.077 2.550 2.303 3.016 . 0 0 "[ . 1 . 2]" 1
77 1 9 THR H 1 9 THR HB 3.120 . 4.337 2.659 2.541 2.888 . 0 0 "[ . 1 . 2]" 1
78 1 9 THR H 1 9 THR MG 3.107 . 4.314 3.769 3.675 3.843 . 0 0 "[ . 1 . 2]" 1
79 1 9 THR HA 1 9 THR MG 2.321 . 2.995 2.318 2.219 2.388 . 0 0 "[ . 1 . 2]" 1
80 1 9 THR HA 1 10 ALA MB 2.968 . 6.000 4.958 4.802 5.027 . 0 0 "[ . 1 . 2]" 1
81 1 9 THR HB 1 9 THR MG 2.176 . 2.768 2.137 2.135 2.140 . 0 0 "[ . 1 . 2]" 1
82 1 9 THR HB 1 10 ALA HA 2.956 . 6.000 4.217 4.039 4.431 . 0 0 "[ . 1 . 2]" 1
83 1 9 THR HB 1 10 ALA MB 3.344 . 4.742 4.078 3.723 4.657 . 0 0 "[ . 1 . 2]" 1
84 1 9 THR MG 1 10 ALA H 3.260 . 4.589 3.982 3.589 4.255 . 0 0 "[ . 1 . 2]" 1
85 1 9 THR MG 1 10 ALA HA 3.383 . 4.813 3.981 3.493 4.381 . 0 0 "[ . 1 . 2]" 1
86 1 9 THR MG 1 11 TYR H 3.396 . 4.838 4.377 3.942 4.611 . 0 0 "[ . 1 . 2]" 1
87 1 10 ALA H 1 10 ALA MB 2.550 . 3.363 2.260 2.230 2.286 . 0 0 "[ . 1 . 2]" 1
88 1 10 ALA HA 1 10 ALA MB 2.167 . 2.754 2.123 2.109 2.130 . 0 0 "[ . 1 . 2]" 1
89 1 10 ALA HA 1 11 TYR H 2.528 . 3.327 3.155 3.055 3.265 . 0 0 "[ . 1 . 2]" 1
90 1 10 ALA HA 1 11 TYR QD 3.607 . 5.233 5.179 4.080 5.426 0.193 7 0 "[ . 1 . 2]" 1
91 1 10 ALA HA 1 14 LEU QD 3.332 . 4.720 2.058 1.897 2.272 0.047 17 0 "[ . 1 . 2]" 1
92 1 10 ALA MB 1 11 TYR H 2.677 . 3.573 3.370 3.210 3.481 . 0 0 "[ . 1 . 2]" 1
93 1 10 ALA MB 1 11 TYR QD 3.356 . 4.764 4.268 3.233 4.966 0.202 16 0 "[ . 1 . 2]" 1
94 1 10 ALA MB 1 14 LEU QD 2.554 . 3.370 2.963 2.654 3.173 . 0 0 "[ . 1 . 2]" 1
95 1 11 TYR H 1 11 TYR QB 2.794 . 3.673 2.452 2.165 2.876 . 0 0 "[ . 1 . 2]" 1
96 1 11 TYR H 1 11 TYR QD 3.228 . 4.531 3.024 1.841 3.723 0.084 17 0 "[ . 1 . 2]" 1
97 1 11 TYR H 1 12 PRO HD2 3.508 . 5.047 4.699 4.544 5.133 0.086 4 0 "[ . 1 . 2]" 1
98 1 11 TYR H 1 12 PRO HD3 3.038 . 6.000 4.999 4.786 5.107 . 0 0 "[ . 1 . 2]" 1
99 1 11 TYR HA 1 11 TYR QD 2.941 . 4.022 2.678 1.819 3.575 0.041 1 0 "[ . 1 . 2]" 1
100 1 11 TYR HA 1 12 PRO HD2 2.738 . 3.675 3.618 3.413 3.750 0.075 10 0 "[ . 1 . 2]" 1
101 1 11 TYR HA 1 12 PRO HD3 2.682 . 3.581 2.868 2.405 3.044 . 0 0 "[ . 1 . 2]" 1
102 1 11 TYR QB 1 11 TYR QD 2.525 . 3.322 2.199 2.125 2.303 . 0 0 "[ . 1 . 2]" 1
103 1 11 TYR QB 1 12 PRO HA 3.379 . 4.806 4.555 4.471 4.671 . 0 0 "[ . 1 . 2]" 1
104 1 11 TYR QB 1 12 PRO HD2 2.807 . 3.792 1.722 1.631 1.873 0.238 2 0 "[ . 1 . 2]" 1
105 1 11 TYR QB 1 12 PRO HD3 2.848 . 3.862 2.170 1.982 2.862 . 0 0 "[ . 1 . 2]" 1
106 1 11 TYR QB 1 12 PRO QG 3.542 . 4.906 3.530 3.444 3.690 . 0 0 "[ . 1 . 2]" 1
107 1 11 TYR QD 1 12 PRO HD2 3.183 . 4.449 3.409 2.558 4.006 . 0 0 "[ . 1 . 2]" 1
108 1 11 TYR QD 1 12 PRO HD3 3.072 . 4.252 3.295 1.940 4.179 . 0 0 "[ . 1 . 2]" 1
109 1 11 TYR QD 1 12 PRO QG 3.578 . 5.178 4.471 3.534 4.993 . 0 0 "[ . 1 . 2]" 1
110 1 11 TYR QD 1 15 ARG HB2 3.405 . 4.854 4.941 4.802 5.040 0.186 15 0 "[ . 1 . 2]" 1
111 1 11 TYR QD 1 15 ARG HG2 3.389 . 4.825 4.773 4.383 5.214 0.389 7 0 "[ . 1 . 2]" 1
112 1 11 TYR QD 1 15 ARG HG3 3.583 . 5.187 4.531 3.603 5.285 0.098 11 0 "[ . 1 . 2]" 1
113 1 12 PRO HA 1 12 PRO HB2 2.355 . 3.048 3.002 2.988 3.007 . 0 0 "[ . 1 . 2]" 1
114 1 12 PRO HA 1 12 PRO HB3 2.313 . 2.982 2.332 2.304 2.342 . 0 0 "[ . 1 . 2]" 1
115 1 12 PRO HA 1 12 PRO HD3 2.986 . 4.101 3.461 3.315 3.715 . 0 0 "[ . 1 . 2]" 1
116 1 12 PRO HA 1 12 PRO QG 2.832 . 3.583 2.651 2.578 2.709 . 0 0 "[ . 1 . 2]" 1
117 1 12 PRO HA 1 13 SER H 2.680 . 3.578 3.514 3.462 3.555 . 0 0 "[ . 1 . 2]" 1
118 1 12 PRO HB2 1 12 PRO QG 2.341 . 3.026 2.277 2.264 2.293 . 0 0 "[ . 1 . 2]" 1
119 1 12 PRO HB2 1 13 SER H 3.138 . 4.369 2.830 2.700 3.021 . 0 0 "[ . 1 . 2]" 1
120 1 12 PRO HB2 1 13 SER HA 3.372 . 4.793 4.154 3.832 4.370 . 0 0 "[ . 1 . 2]" 1
121 1 12 PRO HB3 1 12 PRO HD2 3.017 . 4.154 3.880 3.790 3.945 . 0 0 "[ . 1 . 2]" 1
122 1 12 PRO HB3 1 12 PRO HD3 2.929 . 4.001 4.061 4.020 4.102 0.101 4 0 "[ . 1 . 2]" 1
123 1 12 PRO HB3 1 13 SER H 3.300 . 4.661 4.058 3.963 4.194 . 0 0 "[ . 1 . 2]" 1
124 1 12 PRO HB3 1 15 ARG HB2 3.361 . 4.773 4.489 4.182 4.787 0.014 5 0 "[ . 1 . 2]" 1
125 1 12 PRO HB3 1 16 LEU HB2 3.352 . 4.756 2.200 1.917 2.758 0.031 7 0 "[ . 1 . 2]" 1
126 1 12 PRO HB3 1 16 LEU HB3 3.167 . 4.421 3.450 2.961 4.129 . 0 0 "[ . 1 . 2]" 1
127 1 12 PRO HB3 1 16 LEU MD2 3.020 . 4.160 2.075 1.873 2.216 0.007 4 0 "[ . 1 . 2]" 1
128 1 12 PRO HB3 1 17 ILE MD 3.527 . 5.082 4.659 4.309 5.050 . 0 0 "[ . 1 . 2]" 1
129 1 12 PRO HD2 1 12 PRO QG 2.482 . 3.252 2.223 2.209 2.270 . 0 0 "[ . 1 . 2]" 1
130 1 12 PRO HD2 1 12 PRO QG 2.220 . 2.836 2.016 2.009 2.035 . 0 0 "[ . 1 . 2]" 1
131 1 12 PRO HD2 1 13 SER H 3.391 . 4.829 3.357 2.849 3.582 . 0 0 "[ . 1 . 2]" 1
132 1 12 PRO HD3 1 12 PRO QG 2.495 . 3.273 2.187 2.178 2.195 . 0 0 "[ . 1 . 2]" 1
133 1 12 PRO HD3 1 13 SER H 3.571 . 5.165 4.340 4.060 4.509 . 0 0 "[ . 1 . 2]" 1
134 1 12 PRO QG 1 13 SER H 3.497 . 5.026 4.152 3.981 4.287 . 0 0 "[ . 1 . 2]" 1
135 1 12 PRO QG 1 16 LEU MD1 2.965 . 4.064 3.233 2.311 3.917 . 0 0 "[ . 1 . 2]" 1
136 1 12 PRO QG 1 16 LEU MD2 2.669 . 3.559 3.339 3.289 3.395 . 0 0 "[ . 1 . 2]" 1
137 1 13 SER H 1 13 SER HA 2.934 . 4.010 2.704 2.670 2.743 . 0 0 "[ . 1 . 2]" 1
138 1 13 SER H 1 13 SER QB 2.980 . 4.090 2.496 2.237 2.710 . 0 0 "[ . 1 . 2]" 1
139 1 13 SER H 1 14 LEU H 3.546 . 5.118 3.290 3.130 3.363 . 0 0 "[ . 1 . 2]" 1
140 1 13 SER H 1 16 LEU HB2 3.269 . 4.605 4.755 4.672 4.846 0.241 14 0 "[ . 1 . 2]" 1
141 1 13 SER H 1 16 LEU HB3 3.268 . 6.000 5.585 5.036 6.062 0.062 17 0 "[ . 1 . 2]" 1
142 1 13 SER HA 1 13 SER QB 2.453 . 3.205 2.395 2.297 2.466 . 0 0 "[ . 1 . 2]" 1
143 1 13 SER HA 1 14 LEU H 2.765 . 3.720 3.603 3.587 3.628 . 0 0 "[ . 1 . 2]" 1
144 1 13 SER HA 1 15 ARG H 3.571 . 5.165 4.796 4.648 4.929 . 0 0 "[ . 1 . 2]" 1
145 1 13 SER HA 1 16 LEU H 3.274 . 4.614 4.674 4.581 4.711 0.097 15 0 "[ . 1 . 2]" 1
146 1 13 SER HA 1 16 LEU HB3 3.015 . 6.000 5.070 4.656 5.499 . 0 0 "[ . 1 . 2]" 1
147 1 13 SER HA 1 17 ILE H 3.678 . 5.369 4.478 4.318 4.746 . 0 0 "[ . 1 . 2]" 1
148 1 13 SER HA 1 17 ILE MD 3.466 . 4.968 2.751 2.407 3.249 . 0 0 "[ . 1 . 2]" 1
149 1 13 SER QB 1 14 LEU H 3.357 . 4.766 2.127 2.001 2.329 . 0 0 "[ . 1 . 2]" 1
150 1 13 SER QB 1 14 LEU QD 3.076 . 4.259 3.717 3.290 4.022 . 0 0 "[ . 1 . 2]" 1
151 1 13 SER QB 1 15 ARG H 3.648 . 5.311 3.934 3.738 4.242 . 0 0 "[ . 1 . 2]" 1
152 1 13 SER QB 1 17 ILE MD 3.296 . 4.654 4.222 3.933 4.450 . 0 0 "[ . 1 . 2]" 1
153 1 14 LEU H 1 14 LEU HA 2.637 . 3.506 2.918 2.913 2.924 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU H 1 14 LEU HB2 2.926 . 3.996 3.704 3.625 3.742 . 0 0 "[ . 1 . 2]" 1
155 1 14 LEU H 1 14 LEU HB3 2.802 . 3.783 2.842 2.669 3.160 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU H 1 14 LEU QD 2.964 . 4.062 2.992 1.960 3.203 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU H 1 14 LEU HG 2.607 . 3.457 2.198 1.976 2.536 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU H 1 15 ARG H 3.097 . 4.296 2.247 2.220 2.288 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU HA 1 14 LEU HB2 2.480 . 3.249 2.412 2.323 2.577 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU HA 1 14 LEU HB3 2.360 . 3.056 2.434 2.283 2.543 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU HA 1 14 LEU HG 2.439 . 6.000 3.718 3.660 3.772 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU HA 1 15 ARG H 2.425 . 3.160 2.892 2.453 3.097 . 0 0 "[ . 1 . 2]" 1
163 1 14 LEU HA 1 16 LEU H 3.299 . 4.659 4.271 4.131 4.530 . 0 0 "[ . 1 . 2]" 1
164 1 14 LEU HA 1 17 ILE H 2.909 . 3.967 3.526 3.407 3.653 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU HA 1 17 ILE HA 3.182 . 6.000 5.249 5.140 5.327 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU HA 1 17 ILE MD 2.348 . 6.000 3.895 3.643 4.138 . 0 0 "[ . 1 . 2]" 1
167 1 14 LEU HA 1 17 ILE MG 2.454 . 3.207 3.270 3.221 3.325 0.118 7 0 "[ . 1 . 2]" 1
168 1 14 LEU HA 1 18 HIS HB2 3.187 . 4.456 4.479 4.275 4.636 0.180 17 0 "[ . 1 . 2]" 1
169 1 14 LEU HB2 1 14 LEU QD 2.303 . 2.966 2.097 2.080 2.109 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU HB3 1 14 LEU QD 2.319 . 2.931 2.133 2.072 2.323 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU QD 1 14 LEU HG 2.139 . 2.443 1.892 1.889 1.896 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU QD 1 15 ARG H 3.245 . 4.561 2.659 1.787 2.889 0.142 17 0 "[ . 1 . 2]" 1
173 1 14 LEU QD 1 15 ARG HA 3.277 . 4.619 2.403 2.246 2.843 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU QD 1 15 ARG QD 3.173 . 4.431 2.063 1.904 2.831 0.011 10 0 "[ . 1 . 2]" 1
175 1 14 LEU QD 1 18 HIS HD2 3.417 . 4.877 3.901 3.647 4.311 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU QD 1 18 HIS HE1 3.158 . 4.330 3.646 3.018 3.911 . 0 0 "[ . 1 . 2]" 1
177 1 15 ARG H 1 15 ARG HA 2.690 . 3.594 2.815 2.799 2.835 . 0 0 "[ . 1 . 2]" 1
178 1 15 ARG H 1 15 ARG HG3 2.752 . 3.698 3.741 3.610 3.917 0.219 10 0 "[ . 1 . 2]" 1
179 1 15 ARG H 1 16 LEU H 2.894 . 3.941 2.688 2.637 2.773 . 0 0 "[ . 1 . 2]" 1
180 1 15 ARG HA 1 15 ARG HB2 2.242 . 6.000 3.015 3.002 3.022 . 0 0 "[ . 1 . 2]" 1
181 1 15 ARG HA 1 15 ARG QD 2.358 . 3.053 1.947 1.825 2.050 . 0 0 "[ . 1 . 2]" 1
182 1 15 ARG HA 1 15 ARG HG2 2.706 . 3.621 3.019 2.826 3.105 . 0 0 "[ . 1 . 2]" 1
183 1 15 ARG HA 1 15 ARG HG3 2.677 . 3.573 3.686 3.652 3.716 0.143 14 0 "[ . 1 . 2]" 1
184 1 15 ARG HA 1 16 LEU H 3.112 . 4.323 3.515 3.469 3.552 . 0 0 "[ . 1 . 2]" 1
185 1 15 ARG HB2 1 15 ARG QD 2.384 . 6.000 3.375 3.292 3.512 . 0 0 "[ . 1 . 2]" 1
186 1 15 ARG HB2 1 16 LEU H 2.617 . 3.473 2.732 2.511 2.992 . 0 0 "[ . 1 . 2]" 1
187 1 15 ARG QD 1 15 ARG HG2 2.354 . 3.047 2.279 2.166 2.366 . 0 0 "[ . 1 . 2]" 1
188 1 15 ARG QD 1 15 ARG HG3 2.389 . 3.102 2.342 2.310 2.379 . 0 0 "[ . 1 . 2]" 1
189 1 15 ARG QD 1 16 LEU H 3.546 . 5.118 4.835 4.736 4.974 . 0 0 "[ . 1 . 2]" 1
190 1 16 LEU H 1 16 LEU HA 2.507 . 3.293 2.900 2.863 2.920 . 0 0 "[ . 1 . 2]" 1
191 1 16 LEU H 1 16 LEU HB2 2.433 . 3.173 2.267 2.074 2.484 . 0 0 "[ . 1 . 2]" 1
192 1 16 LEU H 1 16 LEU HB3 2.506 . 3.291 2.955 2.676 3.209 . 0 0 "[ . 1 . 2]" 1
193 1 16 LEU H 1 16 LEU MD1 3.184 . 4.451 3.635 3.192 4.003 . 0 0 "[ . 1 . 2]" 1
194 1 16 LEU H 1 16 LEU MD2 2.839 . 6.000 4.226 4.089 4.322 . 0 0 "[ . 1 . 2]" 1
195 1 16 LEU H 1 17 ILE H 2.692 . 3.598 2.332 2.235 2.491 . 0 0 "[ . 1 . 2]" 1
196 1 16 LEU H 1 17 ILE HA 3.604 . 5.227 4.979 4.892 5.125 . 0 0 "[ . 1 . 2]" 1
197 1 16 LEU H 1 17 ILE MD 3.543 . 5.112 3.722 3.546 3.875 . 0 0 "[ . 1 . 2]" 1
198 1 16 LEU H 1 18 HIS H 3.466 . 4.967 4.034 3.914 4.182 . 0 0 "[ . 1 . 2]" 1
199 1 16 LEU H 1 19 ALA H 3.409 . 4.862 4.641 4.575 4.713 . 0 0 "[ . 1 . 2]" 1
200 1 16 LEU H 1 19 ALA MB 3.281 . 4.627 4.656 4.626 4.711 0.084 9 0 "[ . 1 . 2]" 1
201 1 16 LEU HA 1 16 LEU HB2 2.237 . 2.862 2.733 2.600 2.860 . 0 0 "[ . 1 . 2]" 1
202 1 16 LEU HA 1 16 LEU MD1 2.184 . 2.780 1.949 1.874 2.105 . 0 0 "[ . 1 . 2]" 1
203 1 16 LEU HA 1 16 LEU MD2 2.429 . 6.000 3.783 3.750 3.819 . 0 0 "[ . 1 . 2]" 1
204 1 16 LEU HA 1 17 ILE H 2.878 . 3.914 3.529 3.511 3.542 . 0 0 "[ . 1 . 2]" 1
205 1 16 LEU HA 1 17 ILE HA 3.259 . 6.000 4.787 4.765 4.807 . 0 0 "[ . 1 . 2]" 1
206 1 16 LEU HA 1 20 VAL HB 3.479 . 4.992 4.909 4.491 5.082 0.090 15 0 "[ . 1 . 2]" 1
207 1 16 LEU HA 1 20 VAL QG 2.966 . 6.000 4.366 4.210 4.674 . 0 0 "[ . 1 . 2]" 1
208 1 16 LEU HB3 1 16 LEU MD2 2.003 . 2.505 2.335 2.292 2.410 . 0 0 "[ . 1 . 2]" 1
209 1 16 LEU HB3 1 20 VAL QG 3.011 . 4.144 4.064 3.879 4.153 0.009 12 0 "[ . 1 . 2]" 1
210 1 16 LEU QD 1 16 LEU HG 1.950 . 2.425 1.896 1.894 1.898 . 0 0 "[ . 1 . 2]" 1
211 1 16 LEU QD 1 17 ILE H 3.083 . 4.271 4.056 3.960 4.107 . 0 0 "[ . 1 . 2]" 1
212 1 16 LEU MD1 1 17 ILE H 3.316 . 4.691 4.586 4.502 4.659 . 0 0 "[ . 1 . 2]" 1
213 1 16 LEU MD2 1 17 ILE H 3.229 . 4.532 4.524 4.351 4.597 0.065 16 0 "[ . 1 . 2]" 1
214 1 16 LEU HG 1 20 VAL HB 3.213 . 4.503 4.050 3.529 4.553 0.050 11 0 "[ . 1 . 2]" 1
215 1 17 ILE H 1 17 ILE HA 2.582 . 3.415 2.792 2.782 2.804 . 0 0 "[ . 1 . 2]" 1
216 1 17 ILE H 1 17 ILE HB 2.384 . 3.094 2.222 2.195 2.253 . 0 0 "[ . 1 . 2]" 1
217 1 17 ILE H 1 17 ILE HG12 2.431 . 6.000 4.040 3.994 4.082 . 0 0 "[ . 1 . 2]" 1
218 1 17 ILE H 1 17 ILE HG13 2.764 . 6.000 3.830 3.725 3.966 . 0 0 "[ . 1 . 2]" 1
219 1 17 ILE H 1 17 ILE MG 2.598 . 6.000 3.633 3.606 3.658 . 0 0 "[ . 1 . 2]" 1
220 1 17 ILE H 1 18 HIS H 2.723 . 3.650 2.831 2.749 2.897 . 0 0 "[ . 1 . 2]" 1
221 1 17 ILE H 1 20 VAL H 3.733 . 5.475 4.698 4.561 4.754 . 0 0 "[ . 1 . 2]" 1
222 1 17 ILE H 1 20 VAL QG 3.544 . 5.114 3.926 3.850 3.993 . 0 0 "[ . 1 . 2]" 1
223 1 17 ILE HA 1 17 ILE HB 2.428 . 3.165 2.949 2.939 2.960 . 0 0 "[ . 1 . 2]" 1
224 1 17 ILE HA 1 17 ILE HG12 2.458 . 3.213 3.467 3.453 3.524 0.311 13 0 "[ . 1 . 2]" 1
225 1 17 ILE HA 1 17 ILE HG13 2.472 . 6.000 2.186 2.153 2.308 . 0 0 "[ . 1 . 2]" 1
226 1 17 ILE HA 1 17 ILE MG 2.221 . 2.838 2.701 2.657 2.744 . 0 0 "[ . 1 . 2]" 1
227 1 17 ILE HA 1 18 HIS H 3.013 . 4.148 3.576 3.553 3.600 . 0 0 "[ . 1 . 2]" 1
228 1 17 ILE HA 1 19 ALA H 3.325 . 4.707 4.202 3.928 4.403 . 0 0 "[ . 1 . 2]" 1
229 1 17 ILE HA 1 19 ALA MB 3.057 . 6.000 4.828 4.733 5.019 . 0 0 "[ . 1 . 2]" 1
230 1 17 ILE HA 1 20 VAL H 2.979 . 4.088 3.505 3.226 3.663 . 0 0 "[ . 1 . 2]" 1
231 1 17 ILE HA 1 20 VAL HB 2.498 . 6.000 4.164 3.570 4.445 . 0 0 "[ . 1 . 2]" 1
232 1 17 ILE HA 1 20 VAL QG 2.551 . 3.365 1.899 1.763 2.016 0.039 13 0 "[ . 1 . 2]" 1
233 1 17 ILE HA 1 21 ARG H 3.136 . 4.365 3.959 3.660 4.233 . 0 0 "[ . 1 . 2]" 1
234 1 17 ILE HB 1 17 ILE HG13 2.613 . 3.467 3.015 3.012 3.021 . 0 0 "[ . 1 . 2]" 1
235 1 17 ILE HB 1 17 ILE MG 2.033 . 2.550 2.129 2.125 2.133 . 0 0 "[ . 1 . 2]" 1
236 1 17 ILE HB 1 18 HIS HD2 3.533 . 5.093 3.215 3.032 3.422 . 0 0 "[ . 1 . 2]" 1
237 1 17 ILE MD 1 17 ILE HG12 2.133 . 2.702 2.116 2.113 2.118 . 0 0 "[ . 1 . 2]" 1
238 1 17 ILE MD 1 20 VAL QG 2.620 . 3.478 3.353 3.082 3.508 0.030 8 0 "[ . 1 . 2]" 1
239 1 17 ILE HG13 1 17 ILE MG 2.084 . 2.627 2.480 2.423 2.532 . 0 0 "[ . 1 . 2]" 1
240 1 17 ILE HG13 1 18 HIS H 3.456 . 4.949 4.972 4.936 5.003 0.054 13 0 "[ . 1 . 2]" 1
241 1 17 ILE HG13 1 20 VAL QG 3.029 . 4.176 3.184 2.856 3.332 . 0 0 "[ . 1 . 2]" 1
242 1 17 ILE MG 1 18 HIS H 2.720 . 3.645 2.661 2.582 2.744 . 0 0 "[ . 1 . 2]" 1
243 1 17 ILE MG 1 18 HIS HA 2.745 . 3.687 2.912 2.837 2.991 . 0 0 "[ . 1 . 2]" 1
244 1 17 ILE MG 1 18 HIS QB 2.959 . 4.053 4.008 3.920 4.070 0.017 1 0 "[ . 1 . 2]" 1
245 1 17 ILE MG 1 18 HIS HD2 3.199 . 4.478 2.197 1.992 2.335 . 0 0 "[ . 1 . 2]" 1
246 1 17 ILE MG 1 19 ALA H 3.375 . 4.799 4.469 4.283 4.592 . 0 0 "[ . 1 . 2]" 1
247 1 17 ILE MG 1 20 VAL H 3.589 . 5.199 4.845 4.663 4.960 . 0 0 "[ . 1 . 2]" 1
248 1 17 ILE MG 1 20 VAL QG 2.609 . 3.460 3.357 3.055 3.467 0.007 10 0 "[ . 1 . 2]" 1
249 1 17 ILE MG 1 21 ARG H 3.235 . 4.544 4.109 3.849 4.418 . 0 0 "[ . 1 . 2]" 1
250 1 17 ILE MG 1 21 ARG QD 2.722 . 3.648 3.359 2.098 3.560 . 0 0 "[ . 1 . 2]" 1
251 1 18 HIS H 1 18 HIS HA 2.503 . 3.286 2.814 2.797 2.830 . 0 0 "[ . 1 . 2]" 1
252 1 18 HIS H 1 18 HIS HB2 2.227 . 2.847 2.361 2.277 2.452 . 0 0 "[ . 1 . 2]" 1
253 1 18 HIS H 1 18 HIS HD2 3.377 . 4.802 2.447 2.289 2.692 . 0 0 "[ . 1 . 2]" 1
254 1 18 HIS H 1 19 ALA H 2.647 . 3.523 2.637 2.580 2.711 . 0 0 "[ . 1 . 2]" 1
255 1 18 HIS H 1 19 ALA MB 2.958 . 6.000 4.305 4.263 4.351 . 0 0 "[ . 1 . 2]" 1
256 1 18 HIS H 1 20 VAL H 3.508 . 5.046 4.394 4.281 4.504 . 0 0 "[ . 1 . 2]" 1
257 1 18 HIS H 1 21 ARG H 3.458 . 4.953 4.769 4.586 4.967 0.014 13 0 "[ . 1 . 2]" 1
258 1 18 HIS HA 1 18 HIS HB3 2.134 . 2.703 2.583 2.551 2.610 . 0 0 "[ . 1 . 2]" 1
259 1 18 HIS HA 1 18 HIS HD2 2.958 . 4.052 3.100 2.751 3.203 . 0 0 "[ . 1 . 2]" 1
260 1 18 HIS HA 1 19 ALA H 2.301 . 6.000 3.484 3.429 3.520 . 0 0 "[ . 1 . 2]" 1
261 1 18 HIS HA 1 21 ARG H 2.977 . 4.085 3.697 3.525 3.810 . 0 0 "[ . 1 . 2]" 1
262 1 18 HIS QB 1 19 ALA H 2.522 . 3.317 2.757 2.584 2.974 . 0 0 "[ . 1 . 2]" 1
263 1 18 HIS HD2 1 19 ALA H 3.824 . 5.652 4.872 4.751 4.982 . 0 0 "[ . 1 . 2]" 1
264 1 19 ALA H 1 19 ALA HA 2.293 . 2.950 2.849 2.810 2.897 . 0 0 "[ . 1 . 2]" 1
265 1 19 ALA H 1 19 ALA MB 2.097 . 2.647 2.231 2.206 2.261 . 0 0 "[ . 1 . 2]" 1
266 1 19 ALA H 1 20 VAL H 2.617 . 3.473 2.632 2.406 2.779 . 0 0 "[ . 1 . 2]" 1
267 1 19 ALA H 1 20 VAL QG 3.211 . 4.500 3.799 3.564 3.964 . 0 0 "[ . 1 . 2]" 1
268 1 19 ALA H 1 21 ARG H 3.245 . 4.561 3.816 3.653 3.926 . 0 0 "[ . 1 . 2]" 1
269 1 19 ALA H 1 22 GLY H 3.175 . 6.000 4.753 4.563 4.978 . 0 0 "[ . 1 . 2]" 1
270 1 19 ALA HA 1 19 ALA MB 1.928 . 2.393 2.125 2.120 2.130 . 0 0 "[ . 1 . 2]" 1
271 1 19 ALA HA 1 20 VAL H 2.887 . 3.929 3.570 3.551 3.579 . 0 0 "[ . 1 . 2]" 1
272 1 19 ALA HA 1 22 GLY HA3 2.971 . 4.074 4.093 4.001 4.181 0.107 13 0 "[ . 1 . 2]" 1
273 1 19 ALA MB 1 20 VAL H 2.466 . 3.226 2.332 2.223 2.532 . 0 0 "[ . 1 . 2]" 1
274 1 19 ALA MB 1 20 VAL HA 2.900 . 3.951 3.738 3.691 3.825 . 0 0 "[ . 1 . 2]" 1
275 1 19 ALA MB 1 20 VAL HB 3.086 . 4.277 3.864 3.717 4.106 . 0 0 "[ . 1 . 2]" 1
276 1 19 ALA MB 1 20 VAL QG 2.598 . 6.000 3.677 3.526 3.887 . 0 0 "[ . 1 . 2]" 1
277 1 19 ALA MB 1 21 ARG H 3.011 . 4.144 4.252 4.208 4.285 0.141 12 0 "[ . 1 . 2]" 1
278 1 19 ALA MB 1 22 GLY H 3.196 . 4.473 4.535 4.452 4.572 0.099 3 0 "[ . 1 . 2]" 1
279 1 19 ALA MB 1 23 TYR QD 3.480 . 6.000 5.812 5.384 6.048 0.048 9 0 "[ . 1 . 2]" 1
280 1 20 VAL H 1 20 VAL HA 2.553 . 3.368 2.831 2.816 2.846 . 0 0 "[ . 1 . 2]" 1
281 1 20 VAL H 1 20 VAL HB 2.429 . 3.167 2.600 2.507 2.663 . 0 0 "[ . 1 . 2]" 1
282 1 20 VAL H 1 20 VAL QG 2.299 . 2.960 2.104 2.047 2.317 . 0 0 "[ . 1 . 2]" 1
283 1 20 VAL H 1 21 ARG H 2.514 . 3.304 2.598 2.560 2.635 . 0 0 "[ . 1 . 2]" 1
284 1 20 VAL H 1 22 GLY H 3.268 . 4.603 4.162 3.976 4.274 . 0 0 "[ . 1 . 2]" 1
285 1 20 VAL HA 1 20 VAL HB 2.489 . 3.263 2.462 2.439 2.511 . 0 0 "[ . 1 . 2]" 1
286 1 20 VAL HA 1 20 VAL QG 2.142 . 2.842 2.261 2.182 2.292 . 0 0 "[ . 1 . 2]" 1
287 1 20 VAL HA 1 21 ARG H 2.800 . 3.780 3.483 3.446 3.498 . 0 0 "[ . 1 . 2]" 1
288 1 20 VAL HA 1 23 TYR H 2.778 . 3.742 2.861 2.768 3.006 . 0 0 "[ . 1 . 2]" 1
289 1 20 VAL HA 1 23 TYR HA 2.987 . 6.000 4.638 4.542 4.837 . 0 0 "[ . 1 . 2]" 1
290 1 20 VAL HA 1 23 TYR HB2 2.417 . 3.147 2.607 2.390 2.824 . 0 0 "[ . 1 . 2]" 1
291 1 20 VAL HA 1 23 TYR HB3 2.564 . 3.386 2.185 2.039 2.327 . 0 0 "[ . 1 . 2]" 1
292 1 20 VAL HA 1 23 TYR QD 2.914 . 3.975 3.907 3.747 4.020 0.045 9 0 "[ . 1 . 2]" 1
293 1 20 VAL HA 1 24 TRP HD1 3.615 . 5.248 4.751 4.552 4.897 . 0 0 "[ . 1 . 2]" 1
294 1 20 VAL HB 1 20 VAL QG 2.179 . 2.679 1.895 1.891 1.900 . 0 0 "[ . 1 . 2]" 1
295 1 20 VAL HB 1 21 ARG H 2.581 . 6.000 4.115 4.000 4.169 . 0 0 "[ . 1 . 2]" 1
296 1 20 VAL HB 1 23 TYR HB2 3.616 . 5.250 4.847 4.633 5.209 . 0 0 "[ . 1 . 2]" 1
297 1 20 VAL HB 1 23 TYR HB3 3.598 . 5.216 4.270 4.088 4.520 . 0 0 "[ . 1 . 2]" 1
298 1 20 VAL MG1 1 20 VAL MG2 1.820 . 2.234 2.089 2.082 2.102 . 0 0 "[ . 1 . 2]" 1
299 1 20 VAL QG 1 21 ARG H 2.725 . 3.653 2.391 2.307 2.477 . 0 0 "[ . 1 . 2]" 1
300 1 20 VAL QG 1 21 ARG HA 2.765 . 3.720 3.136 2.866 3.191 . 0 0 "[ . 1 . 2]" 1
301 1 20 VAL QG 1 21 ARG HB3 3.366 . 4.782 4.583 4.315 4.637 . 0 0 "[ . 1 . 2]" 1
302 1 20 VAL QG 1 21 ARG HG2 2.554 . 3.369 2.908 2.542 4.296 0.927 8 1 "[ . + 1 . 2]" 1
303 1 20 VAL QG 1 22 GLY H 3.196 . 4.473 3.570 3.534 3.592 . 0 0 "[ . 1 . 2]" 1
304 1 20 VAL QG 1 23 TYR H 2.940 . 4.020 3.872 3.802 3.908 . 0 0 "[ . 1 . 2]" 1
305 1 20 VAL QG 1 23 TYR HB2 2.720 . 3.645 3.620 3.571 3.679 0.034 8 0 "[ . 1 . 2]" 1
306 1 20 VAL QG 1 23 TYR HB3 2.763 . 3.717 2.599 2.506 2.686 . 0 0 "[ . 1 . 2]" 1
307 1 20 VAL QG 1 23 TYR QD 2.936 . 4.014 2.808 2.487 3.085 . 0 0 "[ . 1 . 2]" 1
308 1 20 VAL QG 1 23 TYR QE 3.207 . 4.493 4.228 3.934 4.453 . 0 0 "[ . 1 . 2]" 1
309 1 20 VAL QG 1 24 TRP QB 2.891 . 3.926 3.302 3.097 3.560 . 0 0 "[ . 1 . 2]" 1
310 1 20 VAL QG 1 24 TRP HD1 2.442 . 3.188 2.063 1.852 2.179 0.108 3 0 "[ . 1 . 2]" 1
311 1 20 VAL QG 1 24 TRP HE1 2.842 . 3.851 3.658 3.380 3.824 . 0 0 "[ . 1 . 2]" 1
312 1 21 ARG H 1 21 ARG HA 2.482 . 3.252 2.838 2.822 2.860 . 0 0 "[ . 1 . 2]" 1
313 1 21 ARG H 1 21 ARG HB2 2.359 . 3.054 2.467 2.065 2.623 . 0 0 "[ . 1 . 2]" 1
314 1 21 ARG H 1 21 ARG HB3 2.727 . 3.656 3.609 3.324 3.656 . 0 0 "[ . 1 . 2]" 1
315 1 21 ARG H 1 21 ARG HG2 2.942 . 4.024 2.523 2.205 4.349 0.325 8 0 "[ . 1 . 2]" 1
316 1 21 ARG H 1 22 GLY H 2.496 . 3.275 2.315 2.239 2.365 . 0 0 "[ . 1 . 2]" 1
317 1 21 ARG HA 1 21 ARG HB3 2.494 . 3.272 2.522 2.449 2.754 . 0 0 "[ . 1 . 2]" 1
318 1 21 ARG HA 1 21 ARG QD 2.938 . 4.017 2.211 1.973 2.820 . 0 0 "[ . 1 . 2]" 1
319 1 21 ARG HA 1 21 ARG HG2 2.514 . 3.304 3.050 2.717 3.470 0.166 8 0 "[ . 1 . 2]" 1
320 1 21 ARG HA 1 22 GLY H 2.747 . 3.691 3.521 3.470 3.542 . 0 0 "[ . 1 . 2]" 1
321 1 21 ARG HA 1 23 TYR HB3 3.153 . 6.000 4.816 4.606 4.967 . 0 0 "[ . 1 . 2]" 1
322 1 21 ARG HA 1 24 TRP QB 2.730 . 3.662 2.392 1.963 2.618 . 0 0 "[ . 1 . 2]" 1
323 1 21 ARG HA 1 24 TRP HD1 3.267 . 4.601 3.918 3.283 4.355 . 0 0 "[ . 1 . 2]" 1
324 1 21 ARG HA 1 25 LEU H 3.194 . 4.470 4.027 3.712 4.340 . 0 0 "[ . 1 . 2]" 1
325 1 21 ARG HB2 1 21 ARG QD 2.500 . 6.000 3.320 2.237 3.535 . 0 0 "[ . 1 . 2]" 1
326 1 21 ARG HB2 1 21 ARG HG2 2.009 . 2.514 2.463 2.390 2.593 0.079 8 0 "[ . 1 . 2]" 1
327 1 21 ARG HB2 1 22 GLY H 2.622 . 3.481 2.685 2.484 3.119 . 0 0 "[ . 1 . 2]" 1
328 1 21 ARG HB3 1 21 ARG QD 2.470 . 3.233 2.572 2.134 3.262 0.029 8 0 "[ . 1 . 2]" 1
329 1 21 ARG QD 1 21 ARG HG2 2.487 . 3.260 2.308 2.160 2.503 . 0 0 "[ . 1 . 2]" 1
330 1 21 ARG QD 1 24 TRP QB 3.577 . 5.073 3.594 2.946 4.149 . 0 0 "[ . 1 . 2]" 1
331 1 21 ARG HG2 1 22 GLY H 3.423 . 4.888 4.412 4.092 5.307 0.419 8 0 "[ . 1 . 2]" 1
332 1 22 GLY H 1 22 GLY QA 2.202 . 2.808 2.207 2.193 2.224 . 0 0 "[ . 1 . 2]" 1
333 1 22 GLY QA 1 24 TRP H 3.150 . 4.391 4.213 3.993 4.393 0.002 3 0 "[ . 1 . 2]" 1
334 1 22 GLY QA 1 26 THR MG 3.400 . 4.845 3.746 3.404 4.036 . 0 0 "[ . 1 . 2]" 1
335 1 22 GLY HA2 1 25 LEU H 3.248 . 4.566 3.480 3.291 3.737 . 0 0 "[ . 1 . 2]" 1
336 1 22 GLY HA2 1 25 LEU HB2 2.755 . 3.704 2.830 2.506 4.662 0.958 14 1 "[ . 1 +. 2]" 1
337 1 22 GLY HA2 1 25 LEU HB3 2.889 . 6.000 4.273 3.771 4.625 . 0 0 "[ . 1 . 2]" 1
338 1 22 GLY HA2 1 25 LEU MD1 2.804 . 3.787 2.440 2.050 3.292 . 0 0 "[ . 1 . 2]" 1
339 1 22 GLY HA2 1 25 LEU HG 3.168 . 4.423 3.369 2.125 3.887 . 0 0 "[ . 1 . 2]" 1
340 1 23 TYR H 1 23 TYR HA 2.463 . 3.221 2.826 2.805 2.874 . 0 0 "[ . 1 . 2]" 1
341 1 23 TYR H 1 23 TYR HB2 2.442 . 3.187 2.548 2.448 2.630 . 0 0 "[ . 1 . 2]" 1
342 1 23 TYR H 1 23 TYR HB3 2.449 . 3.199 2.460 2.394 2.534 . 0 0 "[ . 1 . 2]" 1
343 1 23 TYR H 1 23 TYR QD 2.895 . 6.000 4.177 4.160 4.196 . 0 0 "[ . 1 . 2]" 1
344 1 23 TYR H 1 25 LEU H 3.285 . 4.634 4.084 3.950 4.241 . 0 0 "[ . 1 . 2]" 1
345 1 23 TYR HA 1 23 TYR HB2 2.313 . 2.981 2.461 2.424 2.504 . 0 0 "[ . 1 . 2]" 1
346 1 23 TYR HA 1 23 TYR QD 2.449 . 3.199 2.795 2.645 2.919 . 0 0 "[ . 1 . 2]" 1
347 1 23 TYR HA 1 23 TYR QE 3.297 . 4.656 4.667 4.628 4.711 0.055 4 0 "[ . 1 . 2]" 1
348 1 23 TYR HA 1 24 TRP H 2.842 . 3.852 3.531 3.503 3.545 . 0 0 "[ . 1 . 2]" 1
349 1 23 TYR HA 1 25 LEU H 3.221 . 4.518 4.503 4.353 4.609 0.091 14 0 "[ . 1 . 2]" 1
350 1 23 TYR HA 1 27 ASN HD21 3.384 . 4.816 3.827 2.780 4.495 . 0 0 "[ . 1 . 2]" 1
351 1 23 TYR HA 1 27 ASN HD22 3.191 . 4.464 3.997 3.477 4.455 . 0 0 "[ . 1 . 2]" 1
352 1 23 TYR HB2 1 23 TYR QD 2.325 . 3.001 2.463 2.398 2.542 . 0 0 "[ . 1 . 2]" 1
353 1 23 TYR HB2 1 23 TYR QE 3.154 . 4.397 4.423 4.402 4.443 0.046 8 0 "[ . 1 . 2]" 1
354 1 23 TYR HB2 1 24 TRP H 2.789 . 3.761 3.701 3.597 3.770 0.009 13 0 "[ . 1 . 2]" 1
355 1 23 TYR HB2 1 24 TRP HA 3.335 . 6.000 5.571 5.526 5.609 . 0 0 "[ . 1 . 2]" 1
356 1 23 TYR HB3 1 23 TYR QD 2.326 . 3.002 2.335 2.286 2.388 . 0 0 "[ . 1 . 2]" 1
357 1 23 TYR HB3 1 23 TYR QE 3.178 . 4.440 4.392 4.375 4.410 . 0 0 "[ . 1 . 2]" 1
358 1 23 TYR HB3 1 24 TRP H 2.709 . 3.626 2.309 2.187 2.405 . 0 0 "[ . 1 . 2]" 1
359 1 23 TYR HB3 1 24 TRP HA 3.354 . 4.760 4.194 4.115 4.308 . 0 0 "[ . 1 . 2]" 1
360 1 23 TYR HB3 1 24 TRP QB 3.237 . 4.547 3.959 3.859 4.081 . 0 0 "[ . 1 . 2]" 1
361 1 23 TYR HB3 1 24 TRP HD1 3.559 . 5.142 4.146 3.982 4.405 . 0 0 "[ . 1 . 2]" 1
362 1 23 TYR QD 1 24 TRP H 3.036 . 4.188 3.200 3.001 3.329 . 0 0 "[ . 1 . 2]" 1
363 1 23 TYR QD 1 24 TRP HA 2.992 . 4.111 3.272 3.115 3.499 . 0 0 "[ . 1 . 2]" 1
364 1 23 TYR QD 1 24 TRP QB 3.674 . 5.264 4.157 4.000 4.311 . 0 0 "[ . 1 . 2]" 1
365 1 23 TYR QD 1 24 TRP HD1 3.059 . 4.229 3.592 3.208 3.901 . 0 0 "[ . 1 . 2]" 1
366 1 23 TYR QD 1 27 ASN QB 3.765 . 5.537 4.186 3.793 4.545 . 0 0 "[ . 1 . 2]" 1
367 1 23 TYR QD 1 27 ASN HD21 3.073 . 4.253 4.264 3.536 4.807 0.554 18 3 "[ . -1 *. + 2]" 1
368 1 23 TYR QD 1 27 ASN HD22 3.379 . 4.806 3.585 3.080 4.008 . 0 0 "[ . 1 . 2]" 1
369 1 23 TYR QE 1 24 TRP HA 3.625 . 5.268 4.595 4.356 4.788 . 0 0 "[ . 1 . 2]" 1
370 1 23 TYR QE 1 27 ASN QB 3.712 . 5.349 4.164 3.749 4.502 . 0 0 "[ . 1 . 2]" 1
371 1 23 TYR QE 1 27 ASN HD21 3.075 . 4.257 4.525 4.013 5.041 0.784 14 7 "[* . *1* +. *-*]" 1
372 1 23 TYR QE 1 27 ASN HD22 3.485 . 5.003 3.321 2.933 3.871 . 0 0 "[ . 1 . 2]" 1
373 1 24 TRP H 1 24 TRP HA 2.611 . 3.463 2.764 2.741 2.784 . 0 0 "[ . 1 . 2]" 1
374 1 24 TRP H 1 24 TRP QB 2.568 . 3.317 2.016 1.986 2.045 . 0 0 "[ . 1 . 2]" 1
375 1 24 TRP H 1 24 TRP HD1 3.035 . 4.187 3.429 3.309 3.542 . 0 0 "[ . 1 . 2]" 1
376 1 24 TRP H 1 25 LEU H 2.614 . 3.468 2.814 2.724 2.880 . 0 0 "[ . 1 . 2]" 1
377 1 24 TRP H 1 26 THR H 3.567 . 5.157 4.264 4.108 4.468 . 0 0 "[ . 1 . 2]" 1
378 1 24 TRP HA 1 24 TRP QB 2.423 . 3.150 2.534 2.518 2.541 . 0 0 "[ . 1 . 2]" 1
379 1 24 TRP HA 1 24 TRP HD1 2.742 . 3.682 3.673 3.557 3.750 0.068 14 0 "[ . 1 . 2]" 1
380 1 24 TRP HA 1 24 TRP HE3 2.656 . 3.538 3.450 3.282 3.585 0.047 17 0 "[ . 1 . 2]" 1
381 1 24 TRP HA 1 25 LEU H 2.908 . 3.965 3.537 3.516 3.550 . 0 0 "[ . 1 . 2]" 1
382 1 24 TRP HA 1 27 ASN H 3.246 . 4.563 3.658 3.409 3.781 . 0 0 "[ . 1 . 2]" 1
383 1 24 TRP HA 1 27 ASN QB 3.423 . 4.649 2.608 2.283 2.830 . 0 0 "[ . 1 . 2]" 1
384 1 24 TRP QB 1 24 TRP HD1 2.839 . 3.746 2.576 2.541 2.619 . 0 0 "[ . 1 . 2]" 1
385 1 24 TRP QB 1 24 TRP HE3 2.720 . 3.645 2.603 2.531 2.681 . 0 0 "[ . 1 . 2]" 1
386 1 24 TRP QB 1 25 LEU H 2.845 . 3.857 2.599 2.511 2.661 . 0 0 "[ . 1 . 2]" 1
387 1 24 TRP QB 1 25 LEU HA 3.440 . 4.920 3.635 3.469 3.731 . 0 0 "[ . 1 . 2]" 1
388 1 24 TRP QB 1 25 LEU HB2 3.593 . 5.207 4.606 4.513 4.906 . 0 0 "[ . 1 . 2]" 1
389 1 24 TRP QB 1 25 LEU HG 3.364 . 4.779 3.521 3.289 4.418 . 0 0 "[ . 1 . 2]" 1
390 1 24 TRP HE3 1 25 LEU H 3.385 . 4.817 4.825 4.688 4.872 0.055 14 0 "[ . 1 . 2]" 1
391 1 24 TRP HE3 1 25 LEU HA 3.105 . 4.310 4.337 4.157 4.419 0.109 2 0 "[ . 1 . 2]" 1
392 1 24 TRP HE3 1 29 VAL H 3.467 . 4.970 3.981 3.441 4.880 . 0 0 "[ . 1 . 2]" 1
393 1 24 TRP HE3 1 29 VAL QG 2.729 . 3.660 2.475 1.951 3.007 . 0 0 "[ . 1 . 2]" 1
394 1 24 TRP HZ3 1 28 LYS HB3 3.578 . 5.178 3.224 2.764 4.781 . 0 0 "[ . 1 . 2]" 1
395 1 24 TRP HZ3 1 28 LYS QE 3.090 . 4.283 3.800 1.944 4.243 . 0 0 "[ . 1 . 2]" 1
396 1 24 TRP HZ3 1 29 VAL QG 2.765 . 3.721 3.475 2.960 3.774 0.053 10 0 "[ . 1 . 2]" 1
397 1 25 LEU H 1 25 LEU HA 2.536 . 3.340 2.785 2.751 2.824 . 0 0 "[ . 1 . 2]" 1
398 1 25 LEU H 1 25 LEU HB2 2.487 . 3.260 2.453 2.322 3.577 0.317 14 0 "[ . 1 . 2]" 1
399 1 25 LEU H 1 25 LEU HB3 2.637 . 3.506 3.505 2.484 3.567 0.061 9 0 "[ . 1 . 2]" 1
400 1 25 LEU H 1 25 LEU MD1 2.599 . 6.000 3.619 3.453 3.719 . 0 0 "[ . 1 . 2]" 1
401 1 25 LEU H 1 25 LEU HG 2.543 . 3.352 2.373 2.233 2.576 . 0 0 "[ . 1 . 2]" 1
402 1 25 LEU H 1 26 THR H 2.748 . 3.692 2.717 2.517 2.841 . 0 0 "[ . 1 . 2]" 1
403 1 25 LEU H 1 26 THR MG 3.598 . 5.216 4.211 3.855 4.386 . 0 0 "[ . 1 . 2]" 1
404 1 25 LEU H 1 27 ASN H 3.698 . 5.407 4.072 3.946 4.233 . 0 0 "[ . 1 . 2]" 1
405 1 25 LEU HA 1 25 LEU HB2 2.396 . 3.114 2.971 2.393 3.008 . 0 0 "[ . 1 . 2]" 1
406 1 25 LEU HA 1 25 LEU HB3 2.314 . 2.983 2.520 2.443 2.584 . 0 0 "[ . 1 . 2]" 1
407 1 25 LEU HA 1 25 LEU MD1 2.061 . 6.000 3.823 3.595 3.873 . 0 0 "[ . 1 . 2]" 1
408 1 25 LEU HA 1 25 LEU HG 2.305 . 2.969 2.592 2.403 2.881 . 0 0 "[ . 1 . 2]" 1
409 1 25 LEU HA 1 26 THR H 2.796 . 3.773 3.485 3.402 3.526 . 0 0 "[ . 1 . 2]" 1
410 1 25 LEU HA 1 26 THR MG 3.214 . 4.505 4.647 4.583 4.697 0.192 10 0 "[ . 1 . 2]" 1
411 1 25 LEU HA 1 29 VAL HB 3.561 . 5.146 4.132 1.975 4.701 0.001 14 0 "[ . 1 . 2]" 1
412 1 25 LEU HB2 1 25 LEU MD1 2.077 . 2.616 2.316 2.212 2.358 . 0 0 "[ . 1 . 2]" 1
413 1 25 LEU HB2 1 26 THR H 2.892 . 3.937 2.903 2.689 4.044 0.107 14 0 "[ . 1 . 2]" 1
414 1 25 LEU HB2 1 26 THR MG 3.039 . 4.193 3.008 2.870 4.051 . 0 0 "[ . 1 . 2]" 1
415 1 25 LEU HB3 1 25 LEU MD1 1.936 . 2.405 2.421 2.346 3.123 0.718 14 1 "[ . 1 +. 2]" 1
416 1 25 LEU HB3 1 26 THR H 2.928 . 4.000 3.707 3.432 4.015 0.015 14 0 "[ . 1 . 2]" 1
417 1 25 LEU HB3 1 26 THR MG 2.916 . 3.979 3.566 3.164 4.464 0.485 14 0 "[ . 1 . 2]" 1
418 1 25 LEU MD1 1 25 LEU HG 1.951 . 2.427 2.126 2.122 2.141 . 0 0 "[ . 1 . 2]" 1
419 1 25 LEU MD1 1 26 THR MG 2.520 . 6.000 4.055 1.756 4.420 . 0 0 "[ . 1 . 2]" 1
420 1 26 THR H 1 26 THR HA 2.535 . 3.338 2.905 2.893 2.912 . 0 0 "[ . 1 . 2]" 1
421 1 26 THR H 1 26 THR HB 2.347 . 6.000 3.129 2.915 3.162 . 0 0 "[ . 1 . 2]" 1
422 1 26 THR H 1 26 THR MG 2.609 . 3.460 2.448 2.225 2.637 . 0 0 "[ . 1 . 2]" 1
423 1 26 THR H 1 27 ASN H 2.644 . 3.518 2.467 2.394 2.551 . 0 0 "[ . 1 . 2]" 1
424 1 26 THR HA 1 26 THR MG 2.129 . 2.696 2.322 2.267 2.427 . 0 0 "[ . 1 . 2]" 1
425 1 26 THR HA 1 27 ASN H 2.784 . 3.753 3.249 3.213 3.323 . 0 0 "[ . 1 . 2]" 1
426 1 26 THR HB 1 26 THR MG 2.034 . 2.551 2.133 2.129 2.137 . 0 0 "[ . 1 . 2]" 1
427 1 26 THR HB 1 27 ASN HD22 3.550 . 5.125 4.785 4.435 5.309 0.184 16 0 "[ . 1 . 2]" 1
428 1 26 THR MG 1 27 ASN H 3.130 . 4.355 4.204 4.092 4.266 . 0 0 "[ . 1 . 2]" 1
429 1 26 THR MG 1 27 ASN HD21 3.610 . 5.239 4.492 4.070 4.734 . 0 0 "[ . 1 . 2]" 1
430 1 27 ASN H 1 27 ASN HA 2.870 . 3.900 2.939 2.894 2.948 . 0 0 "[ . 1 . 2]" 1
431 1 27 ASN H 1 27 ASN QB 2.816 . 3.808 2.312 2.203 2.369 . 0 0 "[ . 1 . 2]" 1
432 1 27 ASN H 1 27 ASN HD22 3.394 . 4.834 4.464 4.233 4.696 . 0 0 "[ . 1 . 2]" 1
433 1 27 ASN H 1 28 LYS H 3.098 . 4.297 2.586 2.486 2.860 . 0 0 "[ . 1 . 2]" 1
434 1 27 ASN HA 1 27 ASN QB 2.487 . 3.260 2.471 2.451 2.496 . 0 0 "[ . 1 . 2]" 1
435 1 27 ASN HA 1 27 ASN HD22 3.515 . 5.060 3.633 3.357 4.022 . 0 0 "[ . 1 . 2]" 1
436 1 27 ASN HA 1 28 LYS H 2.905 . 3.960 3.567 3.548 3.583 . 0 0 "[ . 1 . 2]" 1
437 1 27 ASN HA 1 28 LYS HA 3.469 . 4.973 4.518 4.449 4.599 . 0 0 "[ . 1 . 2]" 1
438 1 27 ASN HA 1 29 VAL H 3.428 . 4.897 4.807 4.029 4.998 0.101 5 0 "[ . 1 . 2]" 1
439 1 27 ASN QB 1 27 ASN HD21 3.235 . 4.238 2.601 2.247 2.812 . 0 0 "[ . 1 . 2]" 1
440 1 27 ASN QB 1 28 LYS H 3.439 . 4.841 2.198 2.109 2.253 . 0 0 "[ . 1 . 2]" 1
441 1 27 ASN QB 1 28 LYS HA 3.649 . 5.314 3.714 3.549 3.881 . 0 0 "[ . 1 . 2]" 1
442 1 27 ASN QB 1 29 VAL H 3.632 . 5.142 3.981 3.844 4.057 . 0 0 "[ . 1 . 2]" 1
443 1 27 ASN QB 1 29 VAL QG 3.045 . 4.181 4.053 3.886 4.162 . 0 0 "[ . 1 . 2]" 1
444 1 28 LYS H 1 28 LYS HB3 2.689 . 3.593 3.555 2.803 3.701 0.108 2 0 "[ . 1 . 2]" 1
445 1 28 LYS H 1 28 LYS HD3 3.140 . 4.373 4.273 2.702 5.051 0.678 15 5 "[ . -* 1 * + * 2]" 1
446 1 28 LYS H 1 28 LYS HG2 2.810 . 3.797 2.764 1.946 4.514 0.717 5 1 "[ + 1 . 2]" 1
447 1 28 LYS H 1 29 VAL H 2.726 . 3.655 2.195 1.998 2.630 . 0 0 "[ . 1 . 2]" 1
448 1 28 LYS H 1 29 VAL QG 2.843 . 3.854 2.927 2.796 3.089 . 0 0 "[ . 1 . 2]" 1
449 1 28 LYS HA 1 28 LYS HB3 2.291 . 2.947 2.468 2.338 2.560 . 0 0 "[ . 1 . 2]" 1
450 1 28 LYS HA 1 28 LYS HD3 2.708 . 3.624 3.387 2.193 4.488 0.864 16 3 "[ . -1 * .+ 2]" 1
451 1 28 LYS HA 1 28 LYS HG2 2.479 . 3.247 3.191 2.884 4.199 0.952 12 2 "[ . 1 + .- 2]" 1
452 1 28 LYS HA 1 29 VAL H 2.311 . 6.000 3.416 3.069 3.481 . 0 0 "[ . 1 . 2]" 1
453 1 28 LYS HB2 1 28 LYS QE 3.485 . 5.003 3.675 2.094 4.315 . 0 0 "[ . 1 . 2]" 1
454 1 28 LYS HB2 1 28 LYS HG2 2.392 . 3.108 2.524 2.465 2.717 . 0 0 "[ . 1 . 2]" 1
455 1 28 LYS HB2 1 29 VAL H 3.015 . 4.151 3.116 2.543 4.182 0.031 12 0 "[ . 1 . 2]" 1
456 1 28 LYS HB3 1 28 LYS QE 3.620 . 5.258 3.010 1.905 4.291 0.077 17 0 "[ . 1 . 2]" 1
457 1 28 LYS HB3 1 28 LYS HG2 2.398 . 3.117 2.855 2.229 3.012 . 0 0 "[ . 1 . 2]" 1
458 1 28 LYS HB3 1 29 VAL H 2.943 . 4.026 3.953 3.668 4.286 0.260 10 0 "[ . 1 . 2]" 1
459 1 28 LYS HD3 1 28 LYS HG2 2.410 . 3.136 2.441 2.340 3.005 . 0 0 "[ . 1 . 2]" 1
460 1 28 LYS QE 1 28 LYS HG2 3.006 . 4.067 2.904 2.279 3.383 . 0 0 "[ . 1 . 2]" 1
461 1 28 LYS HG2 1 29 VAL H 3.385 . 4.817 4.421 3.718 5.520 0.703 5 1 "[ + 1 . 2]" 1
462 1 29 VAL H 1 29 VAL HA 2.649 . 3.526 2.913 2.884 2.928 . 0 0 "[ . 1 . 2]" 1
463 1 29 VAL H 1 29 VAL HB 2.483 . 6.000 3.399 2.699 3.687 . 0 0 "[ . 1 . 2]" 1
464 1 29 VAL H 1 29 VAL QG 2.320 . 2.993 1.780 1.667 1.926 . 0 0 "[ . 1 . 2]" 1
465 1 29 VAL H 1 30 PRO HD2 3.381 . 6.000 5.025 4.754 5.388 . 0 0 "[ . 1 . 2]" 1
466 1 29 VAL H 1 30 PRO HD3 3.139 . 6.000 4.760 4.495 5.087 . 0 0 "[ . 1 . 2]" 1
467 1 29 VAL HA 1 29 VAL HB 2.597 . 3.440 2.295 2.214 2.983 . 0 0 "[ . 1 . 2]" 1
468 1 29 VAL HA 1 29 VAL QG 2.235 . 2.726 2.524 2.134 2.621 . 0 0 "[ . 1 . 2]" 1
469 1 29 VAL HA 1 30 PRO HD2 2.240 . 2.867 2.443 2.008 2.938 0.071 10 0 "[ . 1 . 2]" 1
470 1 29 VAL HA 1 30 PRO HD3 2.189 . 2.788 2.116 1.823 2.433 . 0 0 "[ . 1 . 2]" 1
471 1 29 VAL HA 1 30 PRO HG2 2.843 . 6.000 4.397 4.201 4.631 . 0 0 "[ . 1 . 2]" 1
472 1 29 VAL HB 1 29 VAL QG 2.012 . 2.518 1.892 1.887 1.897 . 0 0 "[ . 1 . 2]" 1
473 1 29 VAL HB 1 30 PRO HD2 2.605 . 3.453 3.061 2.188 3.756 0.303 14 0 "[ . 1 . 2]" 1
474 1 29 VAL QG 1 30 PRO HA 3.252 . 4.574 3.886 3.747 4.151 . 0 0 "[ . 1 . 2]" 1
475 1 29 VAL QG 1 30 PRO HD2 2.474 . 3.239 2.507 1.814 3.194 . 0 0 "[ . 1 . 2]" 1
476 1 29 VAL QG 1 30 PRO HD3 2.444 . 6.000 3.477 3.018 3.671 . 0 0 "[ . 1 . 2]" 1
477 1 29 VAL QG 1 31 ILE H 3.209 . 4.496 4.117 3.868 4.487 . 0 0 "[ . 1 . 2]" 1
478 1 30 PRO HA 1 30 PRO HB2 2.481 . 3.250 2.805 2.687 2.971 . 0 0 "[ . 1 . 2]" 1
479 1 30 PRO HA 1 30 PRO HB3 2.338 . 3.021 2.289 2.261 2.318 . 0 0 "[ . 1 . 2]" 1
480 1 30 PRO HA 1 30 PRO HD2 3.383 . 4.813 4.021 3.892 4.100 . 0 0 "[ . 1 . 2]" 1
481 1 30 PRO HA 1 30 PRO HD3 3.056 . 4.223 3.694 3.387 3.929 . 0 0 "[ . 1 . 2]" 1
482 1 30 PRO HA 1 31 ILE H 2.116 . 2.676 2.147 2.103 2.179 . 0 0 "[ . 1 . 2]" 1
483 1 30 PRO HA 1 31 ILE HA 3.343 . 4.740 4.399 4.343 4.432 . 0 0 "[ . 1 . 2]" 1
484 1 30 PRO HA 1 31 ILE HB 3.461 . 6.000 5.132 4.628 5.670 . 0 0 "[ . 1 . 2]" 1
485 1 30 PRO HA 1 35 SER HA 3.369 . 4.788 4.334 2.269 4.900 0.112 10 0 "[ . 1 . 2]" 1
486 1 30 PRO HB2 1 31 ILE H 3.155 . 4.399 3.765 3.349 4.054 . 0 0 "[ . 1 . 2]" 1
487 1 30 PRO HB3 1 30 PRO HD3 2.895 . 3.942 3.421 2.948 4.089 0.147 1 0 "[ . 1 . 2]" 1
488 1 30 PRO HB3 1 31 ILE H 3.194 . 4.469 3.946 3.591 4.244 . 0 0 "[ . 1 . 2]" 1
489 1 30 PRO HD2 1 31 ILE H 3.546 . 6.000 5.434 5.195 5.667 . 0 0 "[ . 1 . 2]" 1
490 1 30 PRO HD3 1 31 ILE H 3.710 . 6.000 5.568 5.381 5.788 . 0 0 "[ . 1 . 2]" 1
491 1 31 ILE H 1 31 ILE HA 2.727 . 3.657 2.843 2.245 2.953 . 0 0 "[ . 1 . 2]" 1
492 1 31 ILE H 1 31 ILE HB 2.549 . 3.361 3.120 2.597 3.593 0.232 4 0 "[ . 1 . 2]" 1
493 1 31 ILE H 1 31 ILE MD 3.494 . 5.020 3.513 2.031 4.306 . 0 0 "[ . 1 . 2]" 1
494 1 31 ILE H 1 31 ILE HG12 2.956 . 4.048 2.627 1.782 3.908 0.082 17 0 "[ . 1 . 2]" 1
495 1 31 ILE H 1 31 ILE HG13 2.868 . 3.896 2.745 1.780 4.088 0.192 20 0 "[ . 1 . 2]" 1
496 1 31 ILE H 1 31 ILE MG 2.908 . 3.965 3.487 2.551 4.030 0.065 10 0 "[ . 1 . 2]" 1
497 1 31 ILE H 1 32 LYS H 3.097 . 4.296 3.769 2.196 4.466 0.170 10 0 "[ . 1 . 2]" 1
498 1 31 ILE H 1 32 LYS HA 3.538 . 6.000 5.287 4.483 5.685 . 0 0 "[ . 1 . 2]" 1
499 1 31 ILE HA 1 31 ILE HB 2.282 . 2.933 2.842 2.516 3.012 0.079 10 0 "[ . 1 . 2]" 1
500 1 31 ILE HA 1 31 ILE HG12 3.030 . 4.178 3.190 2.515 4.191 0.013 12 0 "[ . 1 . 2]" 1
501 1 31 ILE HA 1 31 ILE HG13 2.687 . 3.590 3.536 3.040 3.995 0.405 19 0 "[ . 1 . 2]" 1
502 1 31 ILE HA 1 31 ILE MG 1.949 . 2.424 2.279 2.149 2.427 0.003 10 0 "[ . 1 . 2]" 1
503 1 31 ILE HA 1 32 LYS H 2.273 . 2.919 3.107 2.504 3.455 0.536 2 4 "[ + . - 1 * *]" 1
504 1 31 ILE HA 1 32 LYS HA 2.967 . 6.000 4.462 4.334 4.647 . 0 0 "[ . 1 . 2]" 1
505 1 31 ILE HB 1 31 ILE MD 2.526 . 3.324 2.625 2.374 3.238 . 0 0 "[ . 1 . 2]" 1
506 1 31 ILE HB 1 31 ILE HG13 2.796 . 3.773 2.491 2.413 3.022 . 0 0 "[ . 1 . 2]" 1
507 1 31 ILE HB 1 31 ILE MG 1.885 . 2.329 2.128 2.120 2.138 . 0 0 "[ . 1 . 2]" 1
508 1 31 ILE MD 1 31 ILE HG12 2.396 . 3.113 2.117 2.114 2.120 . 0 0 "[ . 1 . 2]" 1
509 1 31 ILE HG12 1 31 ILE MG 2.704 . 3.618 2.575 2.283 3.200 . 0 0 "[ . 1 . 2]" 1
510 1 31 ILE HG13 1 31 ILE MG 2.417 . 3.147 2.959 2.355 3.208 0.061 3 0 "[ . 1 . 2]" 1
511 1 31 ILE MG 1 32 LYS H 2.882 . 3.920 2.580 1.767 3.372 0.077 8 0 "[ . 1 . 2]" 1
512 1 32 LYS H 1 32 LYS HA 2.888 . 3.931 2.855 2.761 2.943 . 0 0 "[ . 1 . 2]" 1
513 1 32 LYS H 1 32 LYS HG3 3.122 . 4.340 3.948 3.604 4.508 0.168 13 0 "[ . 1 . 2]" 1
514 1 32 LYS HA 1 32 LYS QB 2.562 . 3.382 2.388 2.327 2.451 . 0 0 "[ . 1 . 2]" 1
515 1 32 LYS HA 1 32 LYS HD2 2.620 . 3.478 2.696 1.964 4.191 0.713 13 1 "[ . 1 + . 2]" 1
516 1 32 LYS HA 1 33 ARG H 2.400 . 3.120 3.300 3.073 3.452 0.332 7 0 "[ . 1 . 2]" 1
517 1 32 LYS QB 1 33 ARG HE 3.494 . 5.020 4.163 3.137 4.979 . 0 0 "[ . 1 . 2]" 1
518 1 33 ARG H 1 33 ARG HB2 2.837 . 3.843 2.724 2.268 3.741 . 0 0 "[ . 1 . 2]" 1
519 1 33 ARG H 1 33 ARG HB3 2.683 . 3.583 3.370 2.552 3.703 0.120 12 0 "[ . 1 . 2]" 1
520 1 33 ARG HA 1 33 ARG HB2 2.790 . 3.763 2.853 2.380 3.032 . 0 0 "[ . 1 . 2]" 1
521 1 33 ARG HA 1 33 ARG HB3 2.903 . 3.957 2.554 2.351 3.027 . 0 0 "[ . 1 . 2]" 1
522 1 33 ARG HA 1 33 ARG HG2 2.838 . 3.845 3.421 2.600 3.798 . 0 0 "[ . 1 . 2]" 1
523 1 33 ARG HA 1 34 PRO HD2 2.539 . 3.345 2.650 2.050 3.031 . 0 0 "[ . 1 . 2]" 1
524 1 33 ARG HA 1 34 PRO HD3 2.416 . 3.146 2.158 1.850 2.573 . 0 0 "[ . 1 . 2]" 1
525 1 33 ARG HB2 1 35 SER H 3.188 . 4.458 3.721 2.740 4.879 0.421 20 0 "[ . 1 . 2]" 1
526 1 33 ARG HB3 1 34 PRO HD2 3.159 . 4.407 2.938 1.971 4.706 0.299 18 0 "[ . 1 . 2]" 1
527 1 33 ARG HB3 1 34 PRO HD3 3.517 . 5.063 3.747 2.902 4.665 . 0 0 "[ . 1 . 2]" 1
528 1 33 ARG HD3 1 33 ARG HG2 2.344 . 3.031 2.558 2.271 3.015 . 0 0 "[ . 1 . 2]" 1
529 1 33 ARG HG2 1 35 SER H 3.630 . 5.277 4.814 2.070 5.666 0.389 15 0 "[ . 1 . 2]" 1
530 1 34 PRO HA 1 34 PRO HB2 2.548 . 3.359 2.913 2.698 2.995 . 0 0 "[ . 1 . 2]" 1
531 1 34 PRO HA 1 34 PRO HB3 2.626 . 3.488 2.291 2.247 2.317 . 0 0 "[ . 1 . 2]" 1
532 1 34 PRO HA 1 34 PRO HG2 3.403 . 4.850 3.924 3.854 4.032 . 0 0 "[ . 1 . 2]" 1
533 1 34 PRO HB2 1 34 PRO HG2 1.833 . 2.253 2.312 2.289 2.326 0.073 8 0 "[ . 1 . 2]" 1
534 1 34 PRO HB2 1 35 SER H 3.326 . 4.709 2.837 1.957 4.132 . 0 0 "[ . 1 . 2]" 1
535 1 34 PRO HB2 1 35 SER H 3.218 . 4.512 2.901 1.959 4.312 . 0 0 "[ . 1 . 2]" 1
536 1 34 PRO HB3 1 34 PRO HD2 3.688 . 5.388 3.907 3.874 3.965 . 0 0 "[ . 1 . 2]" 1
537 1 34 PRO HB3 1 35 SER H 3.805 . 5.614 4.036 3.490 4.625 . 0 0 "[ . 1 . 2]" 1
538 1 34 PRO HD2 1 34 PRO HG2 2.643 . 3.516 2.306 2.286 2.325 . 0 0 "[ . 1 . 2]" 1
539 1 34 PRO HD2 1 35 SER H 3.336 . 4.727 2.982 2.534 4.492 . 0 0 "[ . 1 . 2]" 1
540 1 34 PRO HD3 1 34 PRO HG3 2.195 . 2.797 2.305 2.286 2.321 . 0 0 "[ . 1 . 2]" 1
541 1 35 SER H 1 35 SER HB2 3.294 . 4.650 3.380 2.833 3.985 . 0 0 "[ . 1 . 2]" 1
542 1 35 SER H 1 35 SER HB3 3.470 . 4.975 3.540 2.882 4.071 . 0 0 "[ . 1 . 2]" 1
543 1 35 SER HA 1 35 SER HB2 2.753 . 3.700 2.738 2.510 3.040 . 0 0 "[ . 1 . 2]" 1
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