NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
478374 |
2kya   |
16943 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kya
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 369
_Distance_constraint_stats_list.Viol_count 955
_Distance_constraint_stats_list.Viol_total 1562.915
_Distance_constraint_stats_list.Viol_max 0.959
_Distance_constraint_stats_list.Viol_rms 0.0703
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0216
_Distance_constraint_stats_list.Viol_average_violations_only 0.1169
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 ]"
1 2 ASN 0.300 0.199 7 0 "[ . 1 ]"
1 3 LYS 4.699 0.697 4 4 "[*- +. 1 * ]"
1 4 LYS 0.676 0.314 1 0 "[ . 1 ]"
1 5 ASN 0.598 0.258 1 0 "[ . 1 ]"
1 6 ILE 1.403 0.104 9 0 "[ . 1 ]"
1 7 LEU 2.020 0.433 7 0 "[ . 1 ]"
1 8 PRO 8.575 0.479 4 0 "[ . 1 ]"
1 9 GLN 7.432 0.494 1 0 "[ . 1 ]"
1 10 GLN 6.118 0.338 6 0 "[ . 1 ]"
1 11 GLY 2.214 0.140 7 0 "[ . 1 ]"
1 12 GLN 8.263 0.216 8 0 "[ . 1 ]"
1 13 PRO 8.667 0.299 13 0 "[ . 1 ]"
1 14 VAL 3.908 0.405 13 0 "[ . 1 ]"
1 15 ILE 10.488 0.433 7 0 "[ . 1 ]"
1 16 ARG 13.525 0.959 9 5 "[ . +*-* *]"
1 17 LEU 8.034 0.389 12 0 "[ . 1 ]"
1 18 THR 4.455 0.202 1 0 "[ . 1 ]"
1 19 ALA 2.356 0.096 6 0 "[ . 1 ]"
1 20 GLY 7.003 0.204 10 0 "[ . 1 ]"
1 21 GLN 3.984 0.145 7 0 "[ . 1 ]"
1 22 LEU 3.213 0.229 11 0 "[ . 1 ]"
1 23 SER 8.427 0.247 11 0 "[ . 1 ]"
1 24 SER 5.019 0.247 11 0 "[ . 1 ]"
1 25 GLN 5.724 0.677 3 4 "[ + . -1 * *]"
1 26 LEU 5.742 0.183 7 0 "[ . 1 ]"
1 27 ALA 2.562 0.093 13 0 "[ . 1 ]"
1 28 GLU 10.068 0.350 5 0 "[ . 1 ]"
1 29 LEU 2.863 0.163 13 0 "[ . 1 ]"
1 30 SER 2.927 0.152 12 0 "[ . 1 ]"
1 31 GLU 5.950 0.593 4 2 "[ +. 1 -]"
1 32 GLU 1.860 0.361 7 0 "[ . 1 ]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 34 LEU 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 1 MET HA 1 1 MET HB3 2.877 . 3.912 2.557 2.427 3.027 . 0 0 "[ . 1 ]" 1
2 1 1 MET HA 1 2 ASN H 2.353 . 3.045 2.341 2.162 3.037 . 0 0 "[ . 1 ]" 1
3 1 1 MET QB 1 1 MET HG2 2.516 . 3.307 2.316 2.156 2.357 . 0 0 "[ . 1 ]" 1
4 1 1 MET HB2 1 2 ASN H 3.363 . 4.777 4.175 2.973 4.506 . 0 0 "[ . 1 ]" 1
5 1 2 ASN H 1 2 ASN HB2 2.922 . 3.989 3.247 2.484 4.017 0.028 14 0 "[ . 1 ]" 1
6 1 2 ASN H 1 2 ASN HB3 3.026 . 4.171 3.397 2.625 4.050 . 0 0 "[ . 1 ]" 1
7 1 2 ASN HA 1 2 ASN HB2 2.835 . 3.840 2.702 2.412 3.028 . 0 0 "[ . 1 ]" 1
8 1 2 ASN HA 1 2 ASN HB3 2.897 . 3.946 2.621 2.397 3.027 . 0 0 "[ . 1 ]" 1
9 1 2 ASN HA 1 3 LYS H 2.266 . 2.908 2.309 2.134 2.618 . 0 0 "[ . 1 ]" 1
10 1 2 ASN HB2 1 2 ASN HD21 3.180 . 4.444 2.778 2.227 3.501 . 0 0 "[ . 1 ]" 1
11 1 2 ASN HB2 1 3 LYS H 3.067 . 4.243 3.551 2.231 4.442 0.199 7 0 "[ . 1 ]" 1
12 1 2 ASN HB3 1 2 ASN HD21 3.275 . 4.616 2.923 2.240 3.489 . 0 0 "[ . 1 ]" 1
13 1 3 LYS H 1 3 LYS HA 2.541 . 3.348 2.882 2.298 2.947 . 0 0 "[ . 1 ]" 1
14 1 3 LYS H 1 3 LYS HB2 2.473 . 3.238 3.046 2.459 3.935 0.697 4 3 "[*- +. 1 ]" 1
15 1 3 LYS H 1 3 LYS HB3 2.924 . 3.993 3.515 2.690 3.854 . 0 0 "[ . 1 ]" 1
16 1 3 LYS H 1 3 LYS HG3 2.797 . 3.775 3.239 2.484 4.346 0.571 12 1 "[ . 1 + ]" 1
17 1 3 LYS H 1 4 LYS H 2.525 . 3.322 3.030 2.306 3.332 0.010 3 0 "[ . 1 ]" 1
18 1 3 LYS HA 1 3 LYS HB3 3.076 . 4.259 2.350 2.293 2.391 . 0 0 "[ . 1 ]" 1
19 1 3 LYS HA 1 4 LYS H 1.977 . 2.466 2.361 2.135 2.512 0.046 1 0 "[ . 1 ]" 1
20 1 3 LYS QD 1 3 LYS HG3 1.816 . 2.228 2.139 2.034 2.308 0.080 8 0 "[ . 1 ]" 1
21 1 3 LYS HG3 1 4 LYS H 3.039 . 4.193 3.522 1.826 4.126 0.059 6 0 "[ . 1 ]" 1
22 1 3 LYS HG3 1 4 LYS H 3.083 . 4.271 3.128 1.799 3.675 0.096 6 0 "[ . 1 ]" 1
23 1 4 LYS H 1 4 LYS HG3 2.909 . 3.967 3.097 2.231 3.715 . 0 0 "[ . 1 ]" 1
24 1 4 LYS HA 1 4 LYS HB2 2.679 . 3.576 2.836 2.447 3.025 . 0 0 "[ . 1 ]" 1
25 1 4 LYS HA 1 4 LYS HB2 2.204 . 2.811 2.185 2.100 2.229 . 0 0 "[ . 1 ]" 1
26 1 4 LYS HA 1 4 LYS HB3 2.481 . 3.251 2.674 2.433 3.026 . 0 0 "[ . 1 ]" 1
27 1 4 LYS HA 1 4 LYS HD3 2.740 . 3.678 2.447 1.941 3.992 0.314 1 0 "[ . 1 ]" 1
28 1 5 ASN H 1 5 ASN HB2 2.620 . 3.478 2.984 2.456 3.736 0.258 1 0 "[ . 1 ]" 1
29 1 5 ASN H 1 5 ASN HB3 2.774 . 3.736 3.022 2.538 3.781 0.045 6 0 "[ . 1 ]" 1
30 1 5 ASN H 1 6 ILE H 2.653 . 3.533 2.645 1.908 3.497 . 0 0 "[ . 1 ]" 1
31 1 5 ASN HA 1 5 ASN HB2 2.932 . 4.007 2.623 2.435 3.027 . 0 0 "[ . 1 ]" 1
32 1 5 ASN HA 1 5 ASN HB3 2.897 . 3.946 2.792 2.459 3.028 . 0 0 "[ . 1 ]" 1
33 1 5 ASN HB2 1 5 ASN HD21 2.971 . 4.075 2.828 2.222 3.474 . 0 0 "[ . 1 ]" 1
34 1 5 ASN HB2 1 6 ILE H 3.289 . 4.641 4.021 3.593 4.622 . 0 0 "[ . 1 ]" 1
35 1 5 ASN HB3 1 5 ASN HD21 3.265 . 4.598 2.572 2.229 3.495 . 0 0 "[ . 1 ]" 1
36 1 6 ILE H 1 6 ILE HA 2.728 . 3.658 2.883 2.768 2.939 . 0 0 "[ . 1 ]" 1
37 1 6 ILE H 1 6 ILE HB 2.509 . 3.296 2.560 2.511 2.620 . 0 0 "[ . 1 ]" 1
38 1 6 ILE H 1 6 ILE HG13 2.719 . 3.643 2.454 1.939 3.580 . 0 0 "[ . 1 ]" 1
39 1 6 ILE H 1 6 ILE HG13 2.769 . 3.728 2.192 1.864 2.818 . 0 0 "[ . 1 ]" 1
40 1 6 ILE H 1 6 ILE MG 2.506 . 3.291 3.377 3.366 3.395 0.104 9 0 "[ . 1 ]" 1
41 1 6 ILE HA 1 6 ILE HB 2.559 . 3.377 3.021 3.018 3.023 . 0 0 "[ . 1 ]" 1
42 1 6 ILE HA 1 6 ILE MG 2.516 . 3.307 1.893 1.631 2.120 0.094 9 0 "[ . 1 ]" 1
43 1 6 ILE HA 1 7 LEU H 2.194 . 2.795 2.209 2.139 2.277 . 0 0 "[ . 1 ]" 1
44 1 6 ILE HB 1 6 ILE MD 2.593 . 3.434 2.518 2.386 3.239 . 0 0 "[ . 1 ]" 1
45 1 6 ILE HB 1 6 ILE MG 2.114 . 2.673 2.127 2.125 2.128 . 0 0 "[ . 1 ]" 1
46 1 6 ILE MD 1 6 ILE HG12 1.937 . 2.406 2.118 2.117 2.120 . 0 0 "[ . 1 ]" 1
47 1 6 ILE MD 1 6 ILE HG13 2.182 . 2.777 2.120 2.119 2.121 . 0 0 "[ . 1 ]" 1
48 1 6 ILE MG 1 7 LEU H 3.166 . 4.419 3.035 2.301 3.527 . 0 0 "[ . 1 ]" 1
49 1 6 ILE MG 1 7 LEU H 2.523 . 3.319 2.419 1.851 3.112 . 0 0 "[ . 1 ]" 1
50 1 7 LEU H 1 7 LEU HA 2.783 . 3.751 2.728 2.266 2.945 . 0 0 "[ . 1 ]" 1
51 1 7 LEU H 1 7 LEU HB2 2.392 . 3.107 2.390 2.130 2.901 . 0 0 "[ . 1 ]" 1
52 1 7 LEU H 1 7 LEU HG 2.642 . 3.514 3.534 3.192 3.947 0.433 7 0 "[ . 1 ]" 1
53 1 7 LEU HA 1 7 LEU HB2 2.678 . 3.575 2.985 2.944 3.015 . 0 0 "[ . 1 ]" 1
54 1 7 LEU HA 1 7 LEU HB3 2.981 . 4.091 2.624 2.538 2.726 . 0 0 "[ . 1 ]" 1
55 1 7 LEU HA 1 7 LEU QD 2.379 . 3.087 2.513 2.209 2.862 . 0 0 "[ . 1 ]" 1
56 1 7 LEU HA 1 7 LEU HG 2.709 . 3.626 2.460 2.342 2.570 . 0 0 "[ . 1 ]" 1
57 1 7 LEU HA 1 8 PRO HD2 2.397 . 3.115 2.737 2.531 3.013 . 0 0 "[ . 1 ]" 1
58 1 7 LEU HA 1 8 PRO HD3 2.273 . 2.919 2.167 1.964 2.333 . 0 0 "[ . 1 ]" 1
59 1 7 LEU QB 1 11 GLY HA3 3.300 . 4.661 3.213 2.069 4.465 . 0 0 "[ . 1 ]" 1
60 1 7 LEU HB3 1 7 LEU QD 1.953 . 2.430 1.961 1.861 2.051 . 0 0 "[ . 1 ]" 1
61 1 7 LEU HB3 1 10 GLN H 3.082 . 4.269 3.994 3.755 4.275 0.006 1 0 "[ . 1 ]" 1
62 1 7 LEU HB3 1 10 GLN HA 3.093 . 4.289 3.577 3.018 3.782 . 0 0 "[ . 1 ]" 1
63 1 7 LEU QD 1 8 PRO HD2 2.861 . 3.884 2.590 1.864 3.417 . 0 0 "[ . 1 ]" 1
64 1 7 LEU QD 1 10 GLN QB 2.783 . 3.751 2.879 2.292 3.524 . 0 0 "[ . 1 ]" 1
65 1 7 LEU QD 1 11 GLY HA3 3.069 . 4.246 3.249 2.355 4.228 . 0 0 "[ . 1 ]" 1
66 1 7 LEU QD 1 11 GLY HA3 2.842 . 3.852 2.893 2.338 3.315 . 0 0 "[ . 1 ]" 1
67 1 7 LEU HG 1 8 PRO HD2 2.805 . 3.788 3.595 2.510 3.878 0.090 8 0 "[ . 1 ]" 1
68 1 8 PRO HA 1 8 PRO HB2 2.332 . 3.012 2.733 2.652 2.975 . 0 0 "[ . 1 ]" 1
69 1 8 PRO HA 1 8 PRO HB3 2.644 . 3.518 2.288 2.266 2.306 . 0 0 "[ . 1 ]" 1
70 1 8 PRO HA 1 8 PRO HG2 2.761 . 3.714 3.850 3.817 3.926 0.212 1 0 "[ . 1 ]" 1
71 1 8 PRO HA 1 8 PRO HG3 2.810 . 3.797 3.748 2.879 3.995 0.198 5 0 "[ . 1 ]" 1
72 1 8 PRO HA 1 9 GLN H 2.217 . 2.832 2.927 2.880 2.977 0.145 12 0 "[ . 1 ]" 1
73 1 8 PRO HA 1 10 GLN H 2.924 . 3.993 4.021 4.003 4.035 0.042 8 0 "[ . 1 ]" 1
74 1 8 PRO HB2 1 8 PRO HD3 2.942 . 4.024 3.937 3.780 4.059 0.035 1 0 "[ . 1 ]" 1
75 1 8 PRO HB2 1 8 PRO HD3 2.949 . 4.036 3.200 2.730 3.316 . 0 0 "[ . 1 ]" 1
76 1 8 PRO HB2 1 8 PRO HG2 1.761 . 2.149 1.704 1.700 1.709 . 0 0 "[ . 1 ]" 1
77 1 8 PRO HB3 1 8 PRO HD2 3.008 . 4.139 3.871 3.817 3.938 . 0 0 "[ . 1 ]" 1
78 1 8 PRO HB3 1 8 PRO HD3 2.687 . 3.590 3.321 3.005 4.069 0.479 4 0 "[ . 1 ]" 1
79 1 8 PRO HB3 1 8 PRO HD3 2.763 . 3.717 2.745 2.619 2.956 . 0 0 "[ . 1 ]" 1
80 1 8 PRO HB3 1 9 GLN H 3.036 . 4.188 2.912 2.252 3.122 . 0 0 "[ . 1 ]" 1
81 1 8 PRO HD2 1 8 PRO HG2 2.713 . 3.633 2.286 2.249 2.338 . 0 0 "[ . 1 ]" 1
82 1 8 PRO HD2 1 8 PRO HG3 2.622 . 3.482 2.809 2.721 3.004 . 0 0 "[ . 1 ]" 1
83 1 8 PRO HD2 1 8 PRO HG3 2.645 . 3.520 2.397 2.202 2.700 . 0 0 "[ . 1 ]" 1
84 1 8 PRO HD2 1 9 GLN H 3.281 . 4.627 4.694 4.630 4.738 0.111 9 0 "[ . 1 ]" 1
85 1 8 PRO HD3 1 8 PRO HG2 2.390 . 3.104 2.884 2.641 2.974 . 0 0 "[ . 1 ]" 1
86 1 8 PRO HD3 1 8 PRO HG2 2.364 . 3.063 2.141 2.097 2.197 . 0 0 "[ . 1 ]" 1
87 1 8 PRO HD3 1 8 PRO HG3 2.396 . 3.114 2.286 2.251 2.324 . 0 0 "[ . 1 ]" 1
88 1 8 PRO HD3 1 8 PRO HG3 2.376 . 3.082 2.024 1.989 2.045 . 0 0 "[ . 1 ]" 1
89 1 9 GLN H 1 9 GLN HA 2.526 . 3.324 2.823 2.815 2.835 . 0 0 "[ . 1 ]" 1
90 1 9 GLN H 1 9 GLN HB2 2.604 . 3.452 2.421 2.356 2.529 . 0 0 "[ . 1 ]" 1
91 1 9 GLN H 1 9 GLN HB3 2.818 . 3.811 3.570 3.564 3.579 . 0 0 "[ . 1 ]" 1
92 1 9 GLN H 1 9 GLN HG3 2.793 . 3.768 2.442 2.153 3.610 . 0 0 "[ . 1 ]" 1
93 1 9 GLN H 1 10 GLN H 2.581 . 3.413 2.624 2.571 2.653 . 0 0 "[ . 1 ]" 1
94 1 9 GLN HA 1 9 GLN HB2 2.754 . 3.702 3.012 3.007 3.015 . 0 0 "[ . 1 ]" 1
95 1 9 GLN HA 1 9 GLN QG 3.164 . 4.416 2.447 2.348 2.949 . 0 0 "[ . 1 ]" 1
96 1 9 GLN HA 1 9 GLN HG3 2.492 . 3.268 3.087 2.939 3.762 0.494 1 0 "[ . 1 ]" 1
97 1 9 GLN HA 1 10 GLN H 2.203 . 2.810 3.144 3.137 3.148 0.338 6 0 "[ . 1 ]" 1
98 1 9 GLN HB2 1 9 GLN QG 2.014 . 2.521 2.058 1.983 2.123 . 0 0 "[ . 1 ]" 1
99 1 9 GLN HB2 1 9 GLN QG 2.141 . 2.714 2.148 2.115 2.241 . 0 0 "[ . 1 ]" 1
100 1 9 GLN HB3 1 10 GLN H 2.433 . 3.173 2.384 2.303 2.476 . 0 0 "[ . 1 ]" 1
101 1 9 GLN HE21 1 9 GLN QG 2.836 . 3.841 2.409 2.170 2.785 . 0 0 "[ . 1 ]" 1
102 1 10 GLN H 1 10 GLN HA 2.207 . 2.816 2.862 2.834 2.891 0.075 4 0 "[ . 1 ]" 1
103 1 10 GLN H 1 10 GLN QB 2.402 . 3.123 2.397 2.313 2.493 . 0 0 "[ . 1 ]" 1
104 1 10 GLN H 1 10 GLN QG 2.580 . 3.412 2.395 2.226 2.532 . 0 0 "[ . 1 ]" 1
105 1 10 GLN HA 1 10 GLN QB 2.441 . 3.004 2.382 2.337 2.418 . 0 0 "[ . 1 ]" 1
106 1 10 GLN HA 1 10 GLN HG2 2.638 . 3.508 2.605 2.449 3.070 . 0 0 "[ . 1 ]" 1
107 1 10 GLN HA 1 10 GLN HG3 2.600 . 3.445 3.143 2.918 3.634 0.189 1 0 "[ . 1 ]" 1
108 1 10 GLN QB 1 10 GLN QG 1.808 . 2.217 1.939 1.868 1.960 . 0 0 "[ . 1 ]" 1
109 1 10 GLN QB 1 11 GLY H 2.817 . 3.809 2.304 1.832 2.727 0.042 3 0 "[ . 1 ]" 1
110 1 10 GLN QB 1 11 GLY HA3 3.199 . 4.478 3.482 3.279 3.747 . 0 0 "[ . 1 ]" 1
111 1 11 GLY H 1 11 GLY HA2 2.290 . 2.945 2.706 2.300 2.955 0.010 10 0 "[ . 1 ]" 1
112 1 11 GLY H 1 11 GLY HA2 2.655 . 3.536 2.623 2.272 2.877 . 0 0 "[ . 1 ]" 1
113 1 11 GLY H 1 11 GLY HA3 2.299 . 2.959 2.539 2.344 2.848 . 0 0 "[ . 1 ]" 1
114 1 11 GLY H 1 12 GLN H 2.320 . 2.993 2.463 2.146 2.675 . 0 0 "[ . 1 ]" 1
115 1 11 GLY HA2 1 12 GLN H 2.419 . 3.150 3.200 3.159 3.253 0.103 4 0 "[ . 1 ]" 1
116 1 11 GLY HA2 1 14 VAL HB 2.502 . 3.284 2.705 2.087 2.900 . 0 0 "[ . 1 ]" 1
117 1 11 GLY HA2 1 14 VAL MG2 2.316 . 2.986 1.930 1.867 2.135 . 0 0 "[ . 1 ]" 1
118 1 11 GLY HA3 1 12 GLN H 2.444 . 3.191 3.295 3.256 3.331 0.140 7 0 "[ . 1 ]" 1
119 1 11 GLY HA3 1 14 VAL HB 3.308 . 4.676 3.792 3.524 4.384 . 0 0 "[ . 1 ]" 1
120 1 12 GLN H 1 12 GLN HA 2.368 . 3.069 2.780 2.761 2.816 . 0 0 "[ . 1 ]" 1
121 1 12 GLN H 1 12 GLN HB2 2.330 . 3.009 2.039 2.029 2.055 . 0 0 "[ . 1 ]" 1
122 1 12 GLN H 1 12 GLN HB3 2.404 . 3.126 3.333 3.323 3.342 0.216 8 0 "[ . 1 ]" 1
123 1 12 GLN H 1 12 GLN QG 2.436 . 3.178 3.109 3.089 3.130 . 0 0 "[ . 1 ]" 1
124 1 12 GLN H 1 13 PRO QD 2.685 . 3.568 2.031 1.792 2.125 . 0 0 "[ . 1 ]" 1
125 1 12 GLN HA 1 12 GLN HB2 2.627 . 3.489 2.889 2.879 2.904 . 0 0 "[ . 1 ]" 1
126 1 12 GLN HA 1 12 GLN HB3 2.590 . 3.428 2.755 2.735 2.767 . 0 0 "[ . 1 ]" 1
127 1 12 GLN HA 1 12 GLN QG 2.512 . 3.301 2.405 2.202 2.551 . 0 0 "[ . 1 ]" 1
128 1 12 GLN HA 1 13 PRO QD 2.456 . 3.210 3.410 3.405 3.417 0.207 7 0 "[ . 1 ]" 1
129 1 12 GLN HA 1 15 ILE H 3.130 . 4.355 3.888 3.680 3.998 . 0 0 "[ . 1 ]" 1
130 1 12 GLN HA 1 15 ILE HB 2.931 . 4.005 4.032 4.003 4.061 0.056 8 0 "[ . 1 ]" 1
131 1 12 GLN HA 1 15 ILE MD 2.934 . 4.010 3.531 2.437 4.031 0.021 1 0 "[ . 1 ]" 1
132 1 12 GLN HB2 1 12 GLN QG 2.272 . 2.917 2.217 2.157 2.335 . 0 0 "[ . 1 ]" 1
133 1 12 GLN HB2 1 12 GLN QG 2.290 . 2.945 2.013 1.966 2.078 . 0 0 "[ . 1 ]" 1
134 1 12 GLN HB2 1 13 PRO QD 2.634 . 3.501 1.890 1.828 2.052 . 0 0 "[ . 1 ]" 1
135 1 12 GLN HB2 1 13 PRO QD 2.482 . 3.252 1.902 1.845 2.016 . 0 0 "[ . 1 ]" 1
136 1 12 GLN HB3 1 12 GLN QG 1.907 . 2.362 2.031 1.970 2.065 . 0 0 "[ . 1 ]" 1
137 1 13 PRO HA 1 13 PRO HB3 2.348 . 3.037 2.274 2.263 2.306 . 0 0 "[ . 1 ]" 1
138 1 13 PRO HA 1 13 PRO HG2 2.811 . 3.798 4.028 3.820 4.097 0.299 13 0 "[ . 1 ]" 1
139 1 13 PRO HA 1 14 VAL H 2.534 . 3.337 3.376 3.359 3.394 0.057 7 0 "[ . 1 ]" 1
140 1 13 PRO HA 1 15 ILE H 2.726 . 3.655 3.708 3.628 3.746 0.091 13 0 "[ . 1 ]" 1
141 1 13 PRO HA 1 15 ILE H 2.296 . 2.955 2.992 2.965 3.024 0.069 4 0 "[ . 1 ]" 1
142 1 13 PRO HA 1 16 ARG H 2.725 . 3.653 2.959 2.825 3.062 . 0 0 "[ . 1 ]" 1
143 1 13 PRO HA 1 16 ARG QB 2.700 . 3.611 2.615 2.109 2.840 . 0 0 "[ . 1 ]" 1
144 1 13 PRO HA 1 16 ARG HG2 3.044 . 4.202 3.099 2.260 3.455 . 0 0 "[ . 1 ]" 1
145 1 13 PRO HA 1 17 LEU H 2.687 . 3.590 3.646 3.614 3.680 0.090 12 0 "[ . 1 ]" 1
146 1 13 PRO HB2 1 14 VAL H 2.784 . 3.753 3.513 3.420 3.684 . 0 0 "[ . 1 ]" 1
147 1 13 PRO HB2 1 16 ARG HE 3.044 . 4.202 3.830 3.348 4.230 0.028 10 0 "[ . 1 ]" 1
148 1 13 PRO HB3 1 13 PRO QD 3.163 . 4.413 3.410 2.779 3.517 . 0 0 "[ . 1 ]" 1
149 1 13 PRO HB3 1 14 VAL H 3.236 . 4.545 4.423 4.340 4.462 . 0 0 "[ . 1 ]" 1
150 1 13 PRO QD 1 13 PRO HG3 2.425 . 3.141 2.258 2.197 2.275 . 0 0 "[ . 1 ]" 1
151 1 13 PRO QD 1 14 VAL H 2.901 . 3.953 2.438 2.191 2.909 . 0 0 "[ . 1 ]" 1
152 1 13 PRO QD 1 14 VAL MG2 3.165 . 4.417 2.771 2.466 4.278 . 0 0 "[ . 1 ]" 1
153 1 14 VAL H 1 14 VAL HA 2.436 . 3.178 2.875 2.865 2.885 . 0 0 "[ . 1 ]" 1
154 1 14 VAL H 1 14 VAL HB 2.326 . 3.002 2.561 2.178 2.692 . 0 0 "[ . 1 ]" 1
155 1 14 VAL H 1 14 VAL MG1 2.793 . 3.768 3.718 2.894 3.787 0.019 6 0 "[ . 1 ]" 1
156 1 14 VAL H 1 14 VAL MG2 2.412 . 3.139 2.176 1.842 3.544 0.405 13 0 "[ . 1 ]" 1
157 1 14 VAL H 1 15 ILE H 2.326 . 3.002 2.343 2.299 2.397 . 0 0 "[ . 1 ]" 1
158 1 14 VAL HA 1 14 VAL HB 2.632 . 3.498 3.007 2.758 3.030 . 0 0 "[ . 1 ]" 1
159 1 14 VAL HA 1 14 VAL MG1 2.232 . 2.855 2.397 2.283 3.068 0.213 13 0 "[ . 1 ]" 1
160 1 14 VAL HA 1 14 VAL MG2 2.289 . 2.944 2.431 2.155 2.541 . 0 0 "[ . 1 ]" 1
161 1 14 VAL HA 1 15 ILE H 2.281 . 2.931 2.760 2.748 2.767 . 0 0 "[ . 1 ]" 1
162 1 14 VAL HA 1 17 LEU HB2 2.978 . 4.086 3.209 3.029 3.322 . 0 0 "[ . 1 ]" 1
163 1 14 VAL HA 1 17 LEU H 2.624 . 3.485 3.396 3.287 3.530 0.045 4 0 "[ . 1 ]" 1
164 1 14 VAL HA 1 17 LEU HB2 2.529 . 3.329 3.482 3.353 3.641 0.312 14 0 "[ . 1 ]" 1
165 1 14 VAL HA 1 17 LEU HB3 2.708 . 3.625 2.923 2.726 3.086 . 0 0 "[ . 1 ]" 1
166 1 14 VAL HA 1 17 LEU QD 2.660 . 3.544 3.501 3.333 3.589 0.045 10 0 "[ . 1 ]" 1
167 1 14 VAL HB 1 14 VAL MG1 2.165 . 2.751 2.128 2.120 2.129 . 0 0 "[ . 1 ]" 1
168 1 14 VAL HB 1 14 VAL MG2 2.294 . 2.952 2.129 2.128 2.131 . 0 0 "[ . 1 ]" 1
169 1 14 VAL HB 1 15 ILE H 2.595 . 3.437 3.086 2.987 3.533 0.096 13 0 "[ . 1 ]" 1
170 1 14 VAL MG2 1 15 ILE H 3.044 . 4.202 3.860 3.708 4.259 0.057 13 0 "[ . 1 ]" 1
171 1 15 ILE H 1 15 ILE HB 2.285 . 2.938 2.621 2.516 2.787 . 0 0 "[ . 1 ]" 1
172 1 15 ILE H 1 15 ILE HG12 2.616 . 3.472 2.181 1.943 3.383 . 0 0 "[ . 1 ]" 1
173 1 15 ILE H 1 15 ILE HG13 2.517 . 3.309 3.486 2.554 3.576 0.267 2 0 "[ . 1 ]" 1
174 1 15 ILE H 1 16 ARG H 2.235 . 2.860 2.136 2.080 2.253 . 0 0 "[ . 1 ]" 1
175 1 15 ILE HA 1 15 ILE HB 2.559 . 3.378 3.012 2.994 3.021 . 0 0 "[ . 1 ]" 1
176 1 15 ILE HA 1 15 ILE MD 2.596 . 3.438 2.308 2.132 3.640 0.202 4 0 "[ . 1 ]" 1
177 1 15 ILE HA 1 15 ILE HG12 3.104 . 4.309 3.081 2.357 3.325 . 0 0 "[ . 1 ]" 1
178 1 15 ILE HA 1 15 ILE HG13 3.062 . 4.234 3.788 3.252 3.895 . 0 0 "[ . 1 ]" 1
179 1 15 ILE HA 1 15 ILE MG 2.285 . 2.938 2.304 2.225 2.396 . 0 0 "[ . 1 ]" 1
180 1 15 ILE HA 1 16 ARG H 2.508 . 3.294 3.412 3.395 3.429 0.135 4 0 "[ . 1 ]" 1
181 1 15 ILE HA 1 18 THR H 2.632 . 3.498 3.497 3.379 3.543 0.045 1 0 "[ . 1 ]" 1
182 1 15 ILE HA 1 18 THR MG 2.955 . 4.046 4.064 4.054 4.084 0.038 11 0 "[ . 1 ]" 1
183 1 15 ILE HA 1 19 ALA H 2.930 . 4.003 3.999 3.763 4.083 0.080 6 0 "[ . 1 ]" 1
184 1 15 ILE HA 1 19 ALA MB 3.096 . 4.294 3.764 3.702 3.789 . 0 0 "[ . 1 ]" 1
185 1 15 ILE HB 1 15 ILE MG 2.118 . 2.679 2.127 2.125 2.132 . 0 0 "[ . 1 ]" 1
186 1 15 ILE MD 1 15 ILE HG13 2.140 . 2.712 2.121 2.113 2.123 . 0 0 "[ . 1 ]" 1
187 1 15 ILE HG12 1 15 ILE MG 2.455 . 3.209 3.162 2.577 3.208 . 0 0 "[ . 1 ]" 1
188 1 15 ILE MG 1 16 ARG HA 2.918 . 3.982 2.719 2.436 3.221 . 0 0 "[ . 1 ]" 1
189 1 15 ILE MG 1 19 ALA H 3.177 . 4.439 3.987 3.768 4.143 . 0 0 "[ . 1 ]" 1
190 1 16 ARG H 1 16 ARG HA 2.407 . 3.131 2.886 2.867 2.898 . 0 0 "[ . 1 ]" 1
191 1 16 ARG H 1 16 ARG QB 2.208 . 2.817 2.535 2.128 2.767 . 0 0 "[ . 1 ]" 1
192 1 16 ARG H 1 16 ARG HG3 2.457 . 3.212 2.682 1.834 4.171 0.959 9 5 "[ . +*-* *]" 1
193 1 16 ARG H 1 17 LEU H 2.461 . 3.218 2.261 2.164 2.385 . 0 0 "[ . 1 ]" 1
194 1 16 ARG HA 1 16 ARG QB 2.432 . 3.171 2.195 2.129 2.233 . 0 0 "[ . 1 ]" 1
195 1 16 ARG HA 1 16 ARG QD 3.076 . 4.258 4.102 4.058 4.199 . 0 0 "[ . 1 ]" 1
196 1 16 ARG HA 1 16 ARG HG2 2.546 . 3.356 3.164 2.826 3.767 0.411 11 0 "[ . 1 ]" 1
197 1 16 ARG HA 1 16 ARG HG3 2.672 . 3.565 3.434 3.240 3.534 . 0 0 "[ . 1 ]" 1
198 1 16 ARG HA 1 17 LEU H 2.555 . 3.371 3.463 3.436 3.485 0.114 4 0 "[ . 1 ]" 1
199 1 16 ARG HA 1 20 GLY H 2.715 . 3.636 3.557 3.525 3.620 . 0 0 "[ . 1 ]" 1
200 1 16 ARG QB 1 16 ARG QD 2.595 . 3.437 2.253 2.081 2.329 . 0 0 "[ . 1 ]" 1
201 1 16 ARG QB 1 17 LEU H 2.560 . 3.379 2.803 2.472 3.291 . 0 0 "[ . 1 ]" 1
202 1 16 ARG QD 1 16 ARG HE 2.300 . 2.961 2.466 2.426 2.491 . 0 0 "[ . 1 ]" 1
203 1 16 ARG QD 1 16 ARG HG2 2.491 . 3.266 2.241 2.170 2.394 . 0 0 "[ . 1 ]" 1
204 1 16 ARG QD 1 16 ARG HG3 2.453 . 3.205 2.308 2.164 2.370 . 0 0 "[ . 1 ]" 1
205 1 16 ARG HE 1 16 ARG HG2 3.060 . 4.230 3.218 2.395 3.672 . 0 0 "[ . 1 ]" 1
206 1 16 ARG HE 1 16 ARG HG3 2.966 . 4.065 2.819 2.467 3.636 . 0 0 "[ . 1 ]" 1
207 1 16 ARG HG3 1 17 LEU H 2.464 . 3.223 3.402 3.290 3.612 0.389 12 0 "[ . 1 ]" 1
208 1 17 LEU H 1 17 LEU HA 2.290 . 2.946 2.842 2.818 2.877 . 0 0 "[ . 1 ]" 1
209 1 17 LEU H 1 17 LEU HB2 2.491 . 3.267 2.409 2.346 2.481 . 0 0 "[ . 1 ]" 1
210 1 17 LEU H 1 17 LEU HB3 2.306 . 2.971 2.635 2.566 2.713 . 0 0 "[ . 1 ]" 1
211 1 17 LEU H 1 17 LEU HB3 2.323 . 2.997 2.307 2.228 2.512 . 0 0 "[ . 1 ]" 1
212 1 17 LEU H 1 17 LEU QD 3.006 . 4.136 3.218 3.172 3.316 . 0 0 "[ . 1 ]" 1
213 1 17 LEU H 1 17 LEU QD 2.689 . 3.593 3.052 2.068 3.480 . 0 0 "[ . 1 ]" 1
214 1 17 LEU H 1 18 THR H 2.186 . 2.784 2.585 2.451 2.698 . 0 0 "[ . 1 ]" 1
215 1 17 LEU HA 1 17 LEU QD 2.751 . 3.697 2.012 1.977 2.067 . 0 0 "[ . 1 ]" 1
216 1 17 LEU HA 1 20 GLY H 2.662 . 3.548 3.588 3.567 3.611 0.063 7 0 "[ . 1 ]" 1
217 1 17 LEU HA 1 21 GLN H 2.842 . 3.852 3.887 3.869 3.912 0.060 1 0 "[ . 1 ]" 1
218 1 17 LEU HB2 1 17 LEU QD 1.934 . 2.402 1.700 1.664 1.731 . 0 0 "[ . 1 ]" 1
219 1 17 LEU HB2 1 17 LEU QD 1.922 . 2.384 1.775 1.719 1.833 . 0 0 "[ . 1 ]" 1
220 1 17 LEU HB2 1 17 LEU MD1 1.960 . 2.440 1.622 1.586 1.657 . 0 0 "[ . 1 ]" 1
221 1 17 LEU HB2 1 17 LEU MD1 2.057 . 2.586 1.738 1.710 1.757 . 0 0 "[ . 1 ]" 1
222 1 17 LEU HB2 1 17 LEU MD1 1.969 . 2.454 1.697 1.662 1.740 . 0 0 "[ . 1 ]" 1
223 1 17 LEU HB3 1 17 LEU QD 1.920 . 2.381 1.791 1.760 1.819 . 0 0 "[ . 1 ]" 1
224 1 17 LEU HB3 1 18 THR H 2.708 . 3.625 2.550 2.406 2.653 . 0 0 "[ . 1 ]" 1
225 1 17 LEU QD 1 18 THR H 2.870 . 3.899 3.000 2.575 3.371 . 0 0 "[ . 1 ]" 1
226 1 17 LEU QD 1 20 GLY HA3 2.965 . 4.064 3.874 3.650 3.989 . 0 0 "[ . 1 ]" 1
227 1 17 LEU QD 1 21 GLN H 3.064 . 4.237 3.293 2.064 3.973 . 0 0 "[ . 1 ]" 1
228 1 18 THR H 1 18 THR HA 2.416 . 3.146 2.780 2.751 2.798 . 0 0 "[ . 1 ]" 1
229 1 18 THR H 1 18 THR MG 2.651 . 3.530 3.725 3.718 3.732 0.202 1 0 "[ . 1 ]" 1
230 1 18 THR H 1 19 ALA H 2.472 . 3.236 3.059 2.992 3.130 . 0 0 "[ . 1 ]" 1
231 1 18 THR HA 1 18 THR HB 2.525 . 3.322 3.020 3.017 3.022 . 0 0 "[ . 1 ]" 1
232 1 18 THR HA 1 18 THR MG 2.150 . 2.728 2.424 2.388 2.450 . 0 0 "[ . 1 ]" 1
233 1 18 THR HA 1 18 THR MG 2.416 . 3.146 2.340 2.322 2.354 . 0 0 "[ . 1 ]" 1
234 1 18 THR HA 1 22 LEU MD2 2.922 . 3.989 2.780 2.451 3.398 . 0 0 "[ . 1 ]" 1
235 1 18 THR HA 1 21 GLN H 2.668 . 3.558 3.582 3.538 3.603 0.045 1 0 "[ . 1 ]" 1
236 1 18 THR HA 1 21 GLN HB3 3.229 . 4.532 3.942 3.817 4.068 . 0 0 "[ . 1 ]" 1
237 1 18 THR HB 1 18 THR MG 1.977 . 2.466 2.127 2.125 2.128 . 0 0 "[ . 1 ]" 1
238 1 18 THR HB 1 19 ALA H 2.402 . 3.123 1.978 1.939 2.006 . 0 0 "[ . 1 ]" 1
239 1 18 THR HB 1 20 GLY H 2.963 . 4.061 4.127 4.113 4.141 0.080 4 0 "[ . 1 ]" 1
240 1 18 THR MG 1 19 ALA H 2.875 . 3.908 2.652 2.586 2.777 . 0 0 "[ . 1 ]" 1
241 1 18 THR MG 1 22 LEU QD 2.397 . 3.115 3.012 2.823 3.137 0.022 11 0 "[ . 1 ]" 1
242 1 19 ALA H 1 19 ALA HA 2.181 . 2.775 2.811 2.801 2.825 0.050 10 0 "[ . 1 ]" 1
243 1 19 ALA H 1 19 ALA MB 2.081 . 2.622 2.241 2.237 2.244 . 0 0 "[ . 1 ]" 1
244 1 19 ALA H 1 20 GLY H 2.442 . 3.188 2.597 2.564 2.622 . 0 0 "[ . 1 ]" 1
245 1 19 ALA HA 1 19 ALA MB 1.905 . 2.359 2.129 2.127 2.130 . 0 0 "[ . 1 ]" 1
246 1 19 ALA HA 1 20 GLY H 2.519 . 3.312 3.375 3.357 3.390 0.078 9 0 "[ . 1 ]" 1
247 1 19 ALA HA 1 22 LEU H 2.794 . 3.770 3.521 3.431 3.593 . 0 0 "[ . 1 ]" 1
248 1 19 ALA HA 1 22 LEU HB2 2.879 . 3.915 2.931 2.724 3.481 . 0 0 "[ . 1 ]" 1
249 1 19 ALA HA 1 23 SER H 2.924 . 3.992 3.826 2.959 4.029 0.037 3 0 "[ . 1 ]" 1
250 1 19 ALA MB 1 20 GLY H 2.403 . 3.125 3.042 2.998 3.109 . 0 0 "[ . 1 ]" 1
251 1 19 ALA MB 1 23 SER H 3.084 . 4.273 4.241 3.872 4.301 0.028 6 0 "[ . 1 ]" 1
252 1 19 ALA MB 1 23 SER HB3 3.271 . 4.608 3.712 3.512 3.934 . 0 0 "[ . 1 ]" 1
253 1 20 GLY H 1 20 GLY HA2 2.100 . 2.651 2.836 2.823 2.855 0.204 10 0 "[ . 1 ]" 1
254 1 20 GLY H 1 20 GLY HA3 2.104 . 2.657 2.300 2.294 2.313 . 0 0 "[ . 1 ]" 1
255 1 20 GLY H 1 21 GLN H 2.341 . 3.026 2.534 2.419 2.605 . 0 0 "[ . 1 ]" 1
256 1 20 GLY HA2 1 21 GLN H 2.554 . 3.370 3.497 3.455 3.515 0.145 7 0 "[ . 1 ]" 1
257 1 20 GLY HA2 1 24 SER H 3.300 . 4.661 4.671 4.598 4.718 0.057 11 0 "[ . 1 ]" 1
258 1 20 GLY HA3 1 21 GLN H 2.543 . 3.351 2.776 2.688 2.943 . 0 0 "[ . 1 ]" 1
259 1 21 GLN H 1 21 GLN HA 2.293 . 2.950 2.823 2.789 2.916 . 0 0 "[ . 1 ]" 1
260 1 21 GLN H 1 21 GLN HB2 2.357 . 3.051 2.467 2.399 2.590 . 0 0 "[ . 1 ]" 1
261 1 21 GLN H 1 21 GLN HB3 2.324 . 2.999 2.604 2.522 2.663 . 0 0 "[ . 1 ]" 1
262 1 21 GLN H 1 22 LEU H 2.332 . 3.012 2.635 2.230 2.734 . 0 0 "[ . 1 ]" 1
263 1 21 GLN HA 1 21 GLN HB2 2.612 . 3.465 2.501 2.475 2.549 . 0 0 "[ . 1 ]" 1
264 1 21 GLN HA 1 21 GLN HB2 2.378 . 3.085 2.424 2.405 2.462 . 0 0 "[ . 1 ]" 1
265 1 21 GLN HA 1 21 GLN HB3 2.520 . 3.314 3.022 3.017 3.025 . 0 0 "[ . 1 ]" 1
266 1 21 GLN HA 1 21 GLN QG 2.984 . 4.097 2.523 2.325 2.839 . 0 0 "[ . 1 ]" 1
267 1 21 GLN HA 1 21 GLN HG3 2.633 . 3.500 2.726 2.481 3.066 . 0 0 "[ . 1 ]" 1
268 1 21 GLN HA 1 22 LEU H 2.252 . 2.886 2.723 2.713 2.737 . 0 0 "[ . 1 ]" 1
269 1 21 GLN HA 1 24 SER QB 2.281 . 2.931 2.668 2.444 2.888 . 0 0 "[ . 1 ]" 1
270 1 21 GLN HB2 1 21 GLN QG 1.924 . 2.387 2.032 1.971 2.067 . 0 0 "[ . 1 ]" 1
271 1 21 GLN HB2 1 22 LEU H 2.746 . 3.688 3.780 3.738 3.799 0.111 7 0 "[ . 1 ]" 1
272 1 21 GLN HB3 1 21 GLN QG 2.033 . 2.550 2.031 1.971 2.097 . 0 0 "[ . 1 ]" 1
273 1 21 GLN HB3 1 21 GLN HG2 2.344 . 3.031 2.101 2.062 2.140 . 0 0 "[ . 1 ]" 1
274 1 21 GLN HB3 1 21 GLN HG3 2.308 . 2.974 2.186 2.095 2.283 . 0 0 "[ . 1 ]" 1
275 1 21 GLN HB3 1 22 LEU H 2.788 . 3.760 2.535 2.444 2.621 . 0 0 "[ . 1 ]" 1
276 1 21 GLN QG 1 22 LEU MD1 2.796 . 3.751 2.274 1.814 2.613 0.005 1 0 "[ . 1 ]" 1
277 1 21 GLN QG 1 22 LEU MD1 3.028 . 4.174 2.255 1.814 2.613 0.068 1 0 "[ . 1 ]" 1
278 1 22 LEU H 1 22 LEU HB2 2.289 . 2.944 2.381 2.267 2.552 . 0 0 "[ . 1 ]" 1
279 1 22 LEU H 1 22 LEU HB3 2.635 . 3.503 3.494 2.673 3.573 0.070 7 0 "[ . 1 ]" 1
280 1 22 LEU H 1 22 LEU QD 2.783 . 3.751 2.565 1.901 3.611 . 0 0 "[ . 1 ]" 1
281 1 22 LEU H 1 23 SER H 2.302 . 2.964 2.671 2.588 2.822 . 0 0 "[ . 1 ]" 1
282 1 22 LEU HA 1 22 LEU HB2 2.339 . 3.023 2.737 2.474 2.830 . 0 0 "[ . 1 ]" 1
283 1 22 LEU HA 1 22 LEU HB3 2.465 . 3.224 2.557 2.422 3.011 . 0 0 "[ . 1 ]" 1
284 1 22 LEU HA 1 22 LEU QD 2.137 . 2.708 2.196 1.881 2.722 0.014 12 0 "[ . 1 ]" 1
285 1 22 LEU HA 1 22 LEU MD1 2.077 . 2.616 2.013 1.666 2.368 . 0 0 "[ . 1 ]" 1
286 1 22 LEU HA 1 25 GLN H 2.624 . 3.485 3.013 2.966 3.039 . 0 0 "[ . 1 ]" 1
287 1 22 LEU HA 1 25 GLN H 2.600 . 3.445 3.269 3.185 3.319 . 0 0 "[ . 1 ]" 1
288 1 22 LEU HA 1 25 GLN HB2 2.466 . 3.226 3.253 3.238 3.275 0.049 5 0 "[ . 1 ]" 1
289 1 22 LEU HB2 1 22 LEU MD2 1.814 . 2.225 1.884 1.843 1.923 . 0 0 "[ . 1 ]" 1
290 1 22 LEU HB2 1 23 SER H 2.521 . 3.315 2.596 2.369 3.544 0.229 11 0 "[ . 1 ]" 1
291 1 22 LEU HB3 1 23 SER H 2.649 . 3.526 3.348 2.191 3.545 0.019 5 0 "[ . 1 ]" 1
292 1 22 LEU HB3 1 23 SER HB3 3.339 . 4.732 4.677 4.171 4.833 0.101 14 0 "[ . 1 ]" 1
293 1 22 LEU QD 1 23 SER H 2.916 . 3.979 3.839 3.686 4.009 0.030 14 0 "[ . 1 ]" 1
294 1 23 SER H 1 23 SER HA 2.140 . 2.712 2.812 2.796 2.822 0.110 12 0 "[ . 1 ]" 1
295 1 23 SER H 1 23 SER HB2 2.340 . 3.024 2.602 2.548 2.637 . 0 0 "[ . 1 ]" 1
296 1 23 SER H 1 23 SER HB3 2.346 . 3.034 2.499 2.471 2.540 . 0 0 "[ . 1 ]" 1
297 1 23 SER H 1 24 SER H 2.349 . 3.039 2.636 2.603 2.677 . 0 0 "[ . 1 ]" 1
298 1 23 SER HA 1 23 SER HB2 2.209 . 2.819 2.438 2.427 2.457 . 0 0 "[ . 1 ]" 1
299 1 23 SER HA 1 23 SER HB3 2.193 . 2.794 2.997 2.994 2.999 0.205 4 0 "[ . 1 ]" 1
300 1 23 SER HA 1 24 SER H 2.332 . 3.012 3.204 3.189 3.259 0.247 11 0 "[ . 1 ]" 1
301 1 23 SER HA 1 26 LEU H 2.629 . 3.493 3.530 3.503 3.556 0.063 2 0 "[ . 1 ]" 1
302 1 23 SER HA 1 27 ALA H 3.400 . 4.845 4.319 3.916 4.746 . 0 0 "[ . 1 ]" 1
303 1 24 SER H 1 24 SER HA 2.210 . 2.820 2.908 2.891 2.913 0.093 2 0 "[ . 1 ]" 1
304 1 24 SER H 1 24 SER QB 2.200 . 2.805 2.363 2.314 2.409 . 0 0 "[ . 1 ]" 1
305 1 24 SER H 1 25 GLN H 2.205 . 2.813 2.181 2.119 2.309 . 0 0 "[ . 1 ]" 1
306 1 24 SER HA 1 24 SER QB 2.307 . 2.947 2.385 2.358 2.418 . 0 0 "[ . 1 ]" 1
307 1 24 SER HA 1 27 ALA MB 3.004 . 4.132 2.018 1.971 2.062 . 0 0 "[ . 1 ]" 1
308 1 24 SER QB 1 25 GLN H 2.795 . 3.772 2.597 2.443 2.780 . 0 0 "[ . 1 ]" 1
309 1 25 GLN H 1 25 GLN HA 2.195 . 2.797 2.815 2.791 2.844 0.047 7 0 "[ . 1 ]" 1
310 1 25 GLN H 1 25 GLN HB2 2.297 . 2.957 2.400 2.313 2.532 . 0 0 "[ . 1 ]" 1
311 1 25 GLN H 1 25 GLN HB2 2.543 . 3.351 2.307 2.245 2.381 . 0 0 "[ . 1 ]" 1
312 1 25 GLN H 1 25 GLN HG3 2.445 . 3.192 2.734 2.099 3.819 0.627 14 2 "[ . -1 +]" 1
313 1 25 GLN HA 1 25 GLN HB2 2.398 . 3.117 3.020 3.012 3.027 . 0 0 "[ . 1 ]" 1
314 1 25 GLN HA 1 25 GLN HB3 2.306 . 2.971 2.527 2.460 2.570 . 0 0 "[ . 1 ]" 1
315 1 25 GLN HA 1 25 GLN HG3 2.356 . 3.050 3.206 2.866 3.727 0.677 3 4 "[ + . *1 * -]" 1
316 1 25 GLN HA 1 28 GLU H 2.950 . 4.038 3.549 3.298 3.765 . 0 0 "[ . 1 ]" 1
317 1 26 LEU H 1 26 LEU HA 2.146 . 2.722 2.875 2.852 2.905 0.183 7 0 "[ . 1 ]" 1
318 1 26 LEU H 1 26 LEU QB 2.093 . 2.640 2.585 2.561 2.625 . 0 0 "[ . 1 ]" 1
319 1 26 LEU H 1 26 LEU QD 2.570 . 3.396 3.009 2.943 3.109 . 0 0 "[ . 1 ]" 1
320 1 26 LEU H 1 26 LEU HG 2.516 . 3.307 2.080 1.968 2.248 . 0 0 "[ . 1 ]" 1
321 1 26 LEU H 1 27 ALA H 2.265 . 2.906 2.295 2.111 2.428 . 0 0 "[ . 1 ]" 1
322 1 26 LEU HA 1 26 LEU MD2 1.938 . 2.407 2.268 2.236 2.347 . 0 0 "[ . 1 ]" 1
323 1 26 LEU HA 1 26 LEU HG 2.368 . 3.069 3.132 3.115 3.146 0.077 14 0 "[ . 1 ]" 1
324 1 26 LEU HA 1 29 LEU H 2.351 . 3.042 3.096 3.048 3.147 0.105 1 0 "[ . 1 ]" 1
325 1 26 LEU QB 1 27 ALA H 2.686 . 3.588 2.696 2.578 2.872 . 0 0 "[ . 1 ]" 1
326 1 26 LEU QD 1 27 ALA H 3.013 . 4.148 3.982 3.932 4.040 . 0 0 "[ . 1 ]" 1
327 1 26 LEU HG 1 27 ALA H 2.876 . 3.910 3.977 3.964 3.991 0.081 1 0 "[ . 1 ]" 1
328 1 27 ALA H 1 27 ALA HA 2.113 . 2.671 2.746 2.734 2.764 0.093 13 0 "[ . 1 ]" 1
329 1 27 ALA H 1 27 ALA MB 2.066 . 2.600 2.231 2.223 2.240 . 0 0 "[ . 1 ]" 1
330 1 27 ALA H 1 28 GLU H 2.234 . 2.858 2.822 2.751 2.876 0.018 8 0 "[ . 1 ]" 1
331 1 27 ALA HA 1 27 ALA MB 1.986 . 2.479 2.128 2.125 2.131 . 0 0 "[ . 1 ]" 1
332 1 27 ALA MB 1 28 GLU H 2.551 . 3.364 2.646 2.358 3.000 . 0 0 "[ . 1 ]" 1
333 1 28 GLU H 1 28 GLU HA 2.015 . 2.523 2.799 2.709 2.873 0.350 5 0 "[ . 1 ]" 1
334 1 28 GLU H 1 28 GLU HA 2.659 . 3.543 2.089 1.944 2.221 . 0 0 "[ . 1 ]" 1
335 1 28 GLU H 1 28 GLU HB2 2.520 . 3.314 3.547 3.518 3.566 0.252 9 0 "[ . 1 ]" 1
336 1 28 GLU H 1 28 GLU HB3 2.813 . 3.802 2.684 2.255 3.299 . 0 0 "[ . 1 ]" 1
337 1 28 GLU H 1 28 GLU QG 2.596 . 3.438 2.103 1.663 2.570 0.118 1 0 "[ . 1 ]" 1
338 1 28 GLU H 1 29 LEU H 2.803 . 3.785 2.470 2.071 2.798 . 0 0 "[ . 1 ]" 1
339 1 28 GLU HA 1 28 GLU HB3 2.457 . 3.212 2.427 2.266 2.612 . 0 0 "[ . 1 ]" 1
340 1 28 GLU HA 1 28 GLU QG 2.367 . 3.067 3.182 3.154 3.221 0.154 14 0 "[ . 1 ]" 1
341 1 28 GLU HB2 1 28 GLU QG 2.533 . 3.335 2.315 2.264 2.366 . 0 0 "[ . 1 ]" 1
342 1 28 GLU HB2 1 29 LEU H 2.952 . 4.041 3.749 3.231 4.204 0.163 13 0 "[ . 1 ]" 1
343 1 28 GLU QG 1 29 LEU H 2.237 . 2.862 2.212 2.021 2.440 . 0 0 "[ . 1 ]" 1
344 1 29 LEU H 1 29 LEU HA 2.255 . 2.890 2.929 2.908 2.944 0.054 7 0 "[ . 1 ]" 1
345 1 29 LEU H 1 29 LEU HB2 2.218 . 2.833 2.639 2.409 2.793 . 0 0 "[ . 1 ]" 1
346 1 29 LEU H 1 29 LEU QD 2.819 . 3.812 3.142 2.610 3.617 . 0 0 "[ . 1 ]" 1
347 1 29 LEU H 1 30 SER HA 3.044 . 4.203 4.257 4.208 4.310 0.107 1 0 "[ . 1 ]" 1
348 1 29 LEU HA 1 29 LEU HB2 2.385 . 3.096 2.919 2.777 3.011 . 0 0 "[ . 1 ]" 1
349 1 29 LEU HA 1 29 LEU QD 2.329 . 3.007 2.144 1.828 2.888 . 0 0 "[ . 1 ]" 1
350 1 29 LEU HA 1 30 SER H 2.159 . 2.742 2.496 2.301 2.756 0.014 1 0 "[ . 1 ]" 1
351 1 30 SER H 1 30 SER HA 2.066 . 2.599 2.723 2.682 2.751 0.152 12 0 "[ . 1 ]" 1
352 1 30 SER H 1 30 SER HB2 2.472 . 3.236 2.490 2.466 2.514 . 0 0 "[ . 1 ]" 1
353 1 30 SER H 1 30 SER HB3 2.480 . 3.249 2.577 2.535 2.618 . 0 0 "[ . 1 ]" 1
354 1 30 SER HA 1 31 GLU H 2.093 . 2.641 2.440 2.088 2.711 0.070 6 0 "[ . 1 ]" 1
355 1 31 GLU H 1 31 GLU HB2 2.497 . 3.276 2.525 2.433 2.597 . 0 0 "[ . 1 ]" 1
356 1 31 GLU H 1 31 GLU HB3 2.791 . 3.764 3.609 3.578 3.733 . 0 0 "[ . 1 ]" 1
357 1 31 GLU H 1 31 GLU HG3 2.497 . 3.277 2.934 1.969 3.870 0.593 4 2 "[ +. 1 -]" 1
358 1 31 GLU HA 1 31 GLU HB2 2.964 . 4.062 3.023 3.020 3.027 . 0 0 "[ . 1 ]" 1
359 1 31 GLU HA 1 31 GLU HG3 2.553 . 3.368 3.175 2.453 3.739 0.371 2 0 "[ . 1 ]" 1
360 1 31 GLU HB3 1 31 GLU QG 1.778 . 2.173 2.266 2.160 2.297 0.124 2 0 "[ . 1 ]" 1
361 1 32 GLU H 1 32 GLU HA 2.648 . 3.524 2.849 2.275 2.947 . 0 0 "[ . 1 ]" 1
362 1 32 GLU H 1 32 GLU HB2 2.663 . 3.549 3.215 2.403 3.910 0.361 7 0 "[ . 1 ]" 1
363 1 32 GLU H 1 32 GLU QG 2.069 . 2.604 2.272 2.020 2.618 0.014 2 0 "[ . 1 ]" 1
364 1 32 GLU HA 1 32 GLU HB3 2.803 . 3.785 2.455 2.402 2.511 . 0 0 "[ . 1 ]" 1
365 1 32 GLU HA 1 32 GLU QG 2.784 . 3.752 2.948 2.402 3.341 . 0 0 "[ . 1 ]" 1
366 1 33 ALA H 1 33 ALA MB 2.642 . 3.515 2.578 2.236 2.878 . 0 0 "[ . 1 ]" 1
367 1 33 ALA HA 1 33 ALA MB 2.769 . 3.727 2.129 2.127 2.130 . 0 0 "[ . 1 ]" 1
368 1 33 ALA HA 1 34 LEU H 1.983 . 2.474 2.158 1.985 2.311 . 0 0 "[ . 1 ]" 1
369 1 34 LEU H 1 34 LEU HB2 2.837 . 3.843 2.952 2.369 3.578 . 0 0 "[ . 1 ]" 1
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