NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542329 |
2ll2   |
18022 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ll2
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 289
_Distance_constraint_stats_list.Viol_count 840
_Distance_constraint_stats_list.Viol_total 1195.223
_Distance_constraint_stats_list.Viol_max 0.535
_Distance_constraint_stats_list.Viol_rms 0.0879
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0414
_Distance_constraint_stats_list.Viol_average_violations_only 0.1423
_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 LYS 0.000 0.000 . 0 "[ . 1]"
1 3 VAL 2.295 0.150 4 0 "[ . 1]"
1 4 LYS 12.331 0.356 5 0 "[ . 1]"
1 5 ASP 10.382 0.375 1 0 "[ . 1]"
1 6 ARG 22.638 0.450 10 0 "[ . 1]"
1 7 VAL 17.867 0.416 4 0 "[ . 1]"
1 8 LYS 16.995 0.498 8 0 "[ . 1]"
1 9 GLY 9.495 0.498 8 0 "[ . 1]"
1 10 LYS 7.984 0.413 7 0 "[ . 1]"
1 11 SER 5.740 0.220 3 0 "[ . 1]"
1 12 ASP 10.944 0.310 8 0 "[ . 1]"
1 13 PRO 12.439 0.329 3 0 "[ . 1]"
1 14 TYR 18.482 0.414 5 0 "[ . 1]"
1 15 HIS 6.167 0.264 10 0 "[ . 1]"
1 16 ALA 10.113 0.414 5 0 "[ . 1]"
1 17 THR 11.873 0.310 10 0 "[ . 1]"
1 18 SER 10.843 0.310 10 0 "[ . 1]"
1 19 GLY 7.600 0.303 10 0 "[ . 1]"
1 20 ALA 0.000 0.000 . 0 "[ . 1]"
1 21 LEU 3.966 0.210 10 0 "[ . 1]"
1 22 SER 2.906 0.221 1 0 "[ . 1]"
1 23 PRO 8.422 0.535 1 5 "[+***- 1]"
1 24 ALA 9.951 0.535 1 5 "[+***- 1]"
1 25 LYS 0.619 0.063 6 0 "[ . 1]"
1 26 ASP 0.184 0.063 6 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 LYS HA 1 1 LYS HD2 4.922 . 4.922 3.696 2.035 4.808 . 0 0 "[ . 1]" 1
2 1 1 LYS HA 1 1 LYS HG2 4.322 . 4.322 3.483 2.468 3.774 . 0 0 "[ . 1]" 1
3 1 3 VAL H 1 3 VAL HA 3.045 . 3.045 2.720 2.270 2.938 . 0 0 "[ . 1]" 1
4 1 3 VAL H 1 3 VAL HB 3.549 . 3.549 3.297 2.967 3.583 0.034 10 0 "[ . 1]" 1
5 1 3 VAL H 1 3 VAL QG 3.061 . 3.061 2.752 2.247 3.013 . 0 0 "[ . 1]" 1
6 1 3 VAL H 1 4 LYS H 3.926 . 3.926 3.969 3.852 4.024 0.098 1 0 "[ . 1]" 1
7 1 3 VAL HA 1 3 VAL QG 3.181 . 3.181 2.214 2.121 2.353 . 0 0 "[ . 1]" 1
8 1 3 VAL HA 1 4 LYS H 3.007 . 3.007 2.219 2.081 3.107 0.100 9 0 "[ . 1]" 1
9 1 3 VAL HA 1 5 ASP H 5.221 . 5.221 3.766 3.415 5.341 0.120 1 0 "[ . 1]" 1
10 1 3 VAL HB 1 4 LYS H 4.054 . 4.054 4.061 3.412 4.204 0.150 4 0 "[ . 1]" 1
11 1 3 VAL QG 1 4 LYS H 3.216 . 3.216 2.427 1.674 2.879 0.126 9 0 "[ . 1]" 1
12 1 3 VAL QG 1 4 LYS HA 3.402 . 3.402 3.435 3.307 3.483 0.081 7 0 "[ . 1]" 1
13 1 3 VAL QG 1 5 ASP H 4.176 . 4.176 2.162 1.801 4.227 0.051 1 0 "[ . 1]" 1
14 1 3 VAL QG 1 5 ASP HA 4.998 . 4.998 4.189 3.722 5.029 0.031 1 0 "[ . 1]" 1
15 1 4 LYS H 1 4 LYS HB2 3.323 . 3.323 3.611 3.510 3.679 0.356 5 0 "[ . 1]" 1
16 1 4 LYS H 1 4 LYS HB3 3.392 . 3.392 3.011 2.440 3.389 . 0 0 "[ . 1]" 1
17 1 4 LYS H 1 4 LYS QD 4.176 . 4.176 2.564 1.794 4.000 0.006 7 0 "[ . 1]" 1
18 1 4 LYS H 1 4 LYS QE 5.357 . 5.357 3.852 3.103 4.807 . 0 0 "[ . 1]" 1
19 1 4 LYS H 1 4 LYS HG2 3.848 . 3.848 2.643 2.221 3.490 . 0 0 "[ . 1]" 1
20 1 4 LYS H 1 4 LYS HG3 3.879 . 3.879 3.040 1.801 3.784 . 0 0 "[ . 1]" 1
21 1 4 LYS H 1 5 ASP H 3.926 . 3.926 2.368 2.023 3.274 . 0 0 "[ . 1]" 1
22 1 4 LYS H 1 5 ASP HA 4.978 . 4.978 4.584 4.306 4.957 . 0 0 "[ . 1]" 1
23 1 4 LYS H 1 6 ARG H 3.892 . 3.892 3.872 3.626 4.143 0.251 1 0 "[ . 1]" 1
24 1 4 LYS HA 1 4 LYS QE 4.804 . 4.804 4.329 3.981 4.907 0.103 8 0 "[ . 1]" 1
25 1 4 LYS HA 1 5 ASP H 3.902 . 3.902 2.930 2.765 3.377 . 0 0 "[ . 1]" 1
26 1 4 LYS HA 1 6 ARG H 2.838 . 2.838 3.073 2.973 3.131 0.293 6 0 "[ . 1]" 1
27 1 4 LYS HA 1 7 VAL H 2.908 . 2.908 2.954 2.876 3.044 0.136 1 0 "[ . 1]" 1
28 1 4 LYS HA 1 7 VAL HB 4.452 . 4.452 3.660 2.972 4.525 0.073 3 0 "[ . 1]" 1
29 1 4 LYS HB2 1 5 ASP H 4.190 . 4.190 3.989 1.798 4.297 0.107 9 0 "[ . 1]" 1
30 1 4 LYS HB3 1 5 ASP H 4.014 . 4.014 4.214 3.298 4.357 0.343 4 0 "[ . 1]" 1
31 1 4 LYS HD2 1 5 ASP H . . 4.804 4.089 3.256 4.554 . 0 0 "[ . 1]" 1
32 1 4 LYS HD3 1 5 ASP H 5.517 . 5.517 4.871 3.284 5.294 . 0 0 "[ . 1]" 1
33 1 4 LYS HG2 1 5 ASP H 4.836 . 4.836 3.883 3.354 4.917 0.081 8 0 "[ . 1]" 1
34 1 4 LYS HG3 1 5 ASP H 4.887 . 4.887 4.204 1.962 5.020 0.133 2 0 "[ . 1]" 1
35 1 5 ASP H 1 5 ASP HB2 3.563 . 3.563 2.643 2.310 3.662 0.099 4 0 "[ . 1]" 1
36 1 5 ASP H 1 5 ASP HB3 3.591 . 3.591 3.466 2.752 3.669 0.078 2 0 "[ . 1]" 1
37 1 5 ASP H 1 6 ARG H 3.526 . 3.526 1.957 1.769 3.042 0.031 3 0 "[ . 1]" 1
38 1 5 ASP H 1 7 VAL H 3.238 . 3.238 3.430 3.321 3.532 0.294 9 0 "[ . 1]" 1
39 1 5 ASP HA 1 6 ARG H 2.970 . 2.970 3.258 3.231 3.345 0.375 1 0 "[ . 1]" 1
40 1 5 ASP HA 1 7 VAL H 3.976 . 3.976 3.854 3.565 4.071 0.095 4 0 "[ . 1]" 1
41 1 5 ASP HA 1 7 VAL QG 5.018 . 5.018 3.259 3.025 3.665 . 0 0 "[ . 1]" 1
42 1 5 ASP HA 1 8 LYS H 5.125 . 5.125 3.373 3.050 3.683 . 0 0 "[ . 1]" 1
43 1 5 ASP HA 1 8 LYS HB2 5.196 . 5.196 4.397 3.680 5.204 0.008 8 0 "[ . 1]" 1
44 1 5 ASP HA 1 8 LYS HB3 5.102 . 5.102 3.644 2.924 4.631 . 0 0 "[ . 1]" 1
45 1 5 ASP HB2 1 6 ARG H 4.249 . 4.249 3.357 3.004 4.001 . 0 0 "[ . 1]" 1
46 1 5 ASP HB2 1 6 ARG HB2 5.387 . 5.387 4.967 4.400 5.501 0.114 8 0 "[ . 1]" 1
47 1 5 ASP HB3 1 6 ARG H 4.141 . 4.141 3.759 2.531 4.070 . 0 0 "[ . 1]" 1
48 1 5 ASP HB3 1 6 ARG HB2 5.627 . 5.627 5.356 3.862 5.754 0.127 4 0 "[ . 1]" 1
49 1 6 ARG H 1 6 ARG HA 2.788 . 2.788 2.796 2.772 2.823 0.035 3 0 "[ . 1]" 1
50 1 6 ARG H 1 6 ARG HB2 3.213 . 3.213 2.684 2.404 3.351 0.138 6 0 "[ . 1]" 1
51 1 6 ARG H 1 6 ARG HB3 3.337 . 3.337 2.217 2.083 2.397 . 0 0 "[ . 1]" 1
52 1 6 ARG H 1 6 ARG QD 4.348 . 4.348 4.236 4.133 4.349 0.001 6 0 "[ . 1]" 1
53 1 6 ARG H 1 6 ARG HG2 3.748 . 3.748 4.076 3.741 4.187 0.439 2 0 "[ . 1]" 1
54 1 6 ARG H 1 7 VAL H 2.200 . 2.200 2.084 2.023 2.148 . 0 0 "[ . 1]" 1
55 1 6 ARG H 1 8 LYS H 3.916 . 3.916 3.697 3.524 3.945 0.029 8 0 "[ . 1]" 1
56 1 6 ARG HA 1 6 ARG QD . . 4.155 4.059 3.421 4.276 0.121 3 0 "[ . 1]" 1
57 1 6 ARG HA 1 7 VAL H 2.843 . 2.843 3.231 3.212 3.259 0.416 4 0 "[ . 1]" 1
58 1 6 ARG HA 1 8 LYS H 3.312 . 3.312 3.678 3.568 3.762 0.450 10 0 "[ . 1]" 1
59 1 6 ARG HB2 1 6 ARG HD2 4.042 . 4.042 3.179 2.777 3.539 . 0 0 "[ . 1]" 1
60 1 6 ARG HB2 1 6 ARG QD 3.698 . 3.698 2.966 2.688 3.129 . 0 0 "[ . 1]" 1
61 1 6 ARG HB2 1 7 VAL H 3.441 . 3.441 3.700 3.632 3.846 0.405 6 0 "[ . 1]" 1
62 1 6 ARG HB3 1 6 ARG HD2 3.926 . 3.926 2.488 2.194 4.133 0.207 6 0 "[ . 1]" 1
63 1 6 ARG HB3 1 7 VAL H 3.557 . 3.557 2.569 2.351 3.195 . 0 0 "[ . 1]" 1
64 1 6 ARG HB3 1 14 TYR QE 5.707 . 5.707 4.769 3.643 5.480 . 0 0 "[ . 1]" 1
65 1 6 ARG QD 1 7 VAL MG2 4.715 . 4.715 4.802 4.717 4.891 0.176 4 0 "[ . 1]" 1
66 1 6 ARG QD 1 14 TYR H 4.505 . 4.505 4.563 4.533 4.608 0.103 5 0 "[ . 1]" 1
67 1 6 ARG HG2 1 7 VAL H 3.888 . 3.888 3.589 2.926 4.030 0.142 8 0 "[ . 1]" 1
68 1 7 VAL H 1 7 VAL HB 3.528 . 3.528 2.933 2.395 3.617 0.089 6 0 "[ . 1]" 1
69 1 7 VAL H 1 7 VAL QG 3.156 . 3.156 2.213 1.830 2.596 . 0 0 "[ . 1]" 1
70 1 7 VAL H 1 8 LYS H 3.471 . 3.471 2.537 2.440 2.676 . 0 0 "[ . 1]" 1
71 1 7 VAL HA 1 7 VAL QG 3.191 . 3.191 2.203 2.065 2.395 . 0 0 "[ . 1]" 1
72 1 7 VAL HA 1 8 LYS H 3.195 . 3.195 3.344 3.321 3.358 0.163 5 0 "[ . 1]" 1
73 1 7 VAL HA 1 8 LYS QE 5.450 . 5.450 4.264 3.606 5.586 0.136 4 0 "[ . 1]" 1
74 1 7 VAL HA 1 9 GLY H 3.402 . 3.402 3.617 3.564 3.687 0.285 4 0 "[ . 1]" 1
75 1 7 VAL HA 1 10 LYS H 3.674 . 3.674 3.482 3.291 3.718 0.044 5 0 "[ . 1]" 1
76 1 7 VAL HA 1 11 SER QB 5.387 . 5.387 5.487 5.436 5.550 0.163 5 0 "[ . 1]" 1
77 1 7 VAL HB 1 8 LYS H 4.031 . 4.031 3.912 3.771 4.058 0.027 8 0 "[ . 1]" 1
78 1 7 VAL QG 1 8 LYS H 3.272 . 3.272 2.119 1.962 2.264 . 0 0 "[ . 1]" 1
79 1 7 VAL QG 1 8 LYS HA 4.538 . 4.538 3.139 2.839 3.684 . 0 0 "[ . 1]" 1
80 1 7 VAL QG 1 8 LYS HB2 4.348 . 4.348 4.232 3.591 4.576 0.228 5 0 "[ . 1]" 1
81 1 7 VAL QG 1 8 LYS HB3 4.249 . 4.249 3.854 3.588 4.404 0.155 4 0 "[ . 1]" 1
82 1 7 VAL QG 1 14 TYR HD1 5.750 . 5.750 4.457 4.006 4.962 . 0 0 "[ . 1]" 1
83 1 7 VAL QG 1 15 HIS HE1 5.172 . 5.172 3.467 2.320 4.852 . 0 0 "[ . 1]" 1
84 1 7 VAL MG2 1 8 LYS QE 4.462 . 4.462 4.469 3.092 4.816 0.354 8 0 "[ . 1]" 1
85 1 8 LYS H 1 8 LYS HA 2.718 . 2.718 2.674 2.438 2.826 0.108 4 0 "[ . 1]" 1
86 1 8 LYS H 1 8 LYS QE 5.059 . 5.059 2.893 2.092 4.215 . 0 0 "[ . 1]" 1
87 1 8 LYS H 1 10 LYS H 3.515 . 3.515 3.819 3.682 3.928 0.413 7 0 "[ . 1]" 1
88 1 8 LYS HA 1 9 GLY H 3.664 . 3.664 3.391 3.310 3.475 . 0 0 "[ . 1]" 1
89 1 8 LYS HA 1 10 LYS H 3.139 . 3.139 3.288 3.231 3.369 0.230 5 0 "[ . 1]" 1
90 1 8 LYS HB2 1 9 GLY H 3.467 . 3.467 3.688 2.507 3.965 0.498 8 0 "[ . 1]" 1
91 1 8 LYS HB3 1 9 GLY H 3.483 . 3.483 3.234 2.515 3.761 0.278 4 0 "[ . 1]" 1
92 1 8 LYS HD2 1 9 GLY H 4.036 . 4.036 3.554 2.672 4.095 0.059 4 0 "[ . 1]" 1
93 1 8 LYS HD3 1 9 GLY H 5.273 . 5.273 3.740 2.074 5.324 0.051 4 0 "[ . 1]" 1
94 1 8 LYS HG2 1 9 GLY H 3.935 . 3.935 2.782 1.995 3.978 0.043 6 0 "[ . 1]" 1
95 1 8 LYS HG3 1 9 GLY H 4.183 . 4.183 4.009 3.446 4.477 0.294 4 0 "[ . 1]" 1
96 1 9 GLY H 1 10 LYS H 3.597 . 3.597 2.649 2.550 2.677 . 0 0 "[ . 1]" 1
97 1 9 GLY HA2 1 10 LYS H 3.409 . 3.409 3.214 3.180 3.251 . 0 0 "[ . 1]" 1
98 1 9 GLY HA2 1 10 LYS HA 5.552 . 5.552 5.087 5.059 5.120 . 0 0 "[ . 1]" 1
99 1 9 GLY HA2 1 12 ASP H 5.247 . 5.247 5.520 5.478 5.557 0.310 8 0 "[ . 1]" 1
100 1 9 GLY HA3 1 10 LYS H 3.541 . 3.541 3.314 3.284 3.384 . 0 0 "[ . 1]" 1
101 1 9 GLY HA3 1 10 LYS HA 5.418 . 5.418 5.034 5.001 5.107 . 0 0 "[ . 1]" 1
102 1 10 LYS H 1 10 LYS HA 3.018 . 3.018 2.220 2.201 2.237 . 0 0 "[ . 1]" 1
103 1 10 LYS H 1 10 LYS QB 3.213 . 3.213 2.830 2.639 3.214 0.001 7 0 "[ . 1]" 1
104 1 10 LYS H 1 10 LYS HD3 3.661 . 3.661 3.499 2.631 3.758 0.097 3 0 "[ . 1]" 1
105 1 10 LYS H 1 10 LYS HG2 4.014 . 4.014 3.485 2.407 3.914 . 0 0 "[ . 1]" 1
106 1 10 LYS H 1 11 SER H 3.722 . 3.722 2.933 2.892 2.971 . 0 0 "[ . 1]" 1
107 1 10 LYS HA 1 10 LYS HD2 3.481 . 3.481 3.196 1.944 3.515 0.034 4 0 "[ . 1]" 1
108 1 10 LYS HA 1 10 LYS QE 4.647 . 4.647 4.406 3.053 4.763 0.116 6 0 "[ . 1]" 1
109 1 10 LYS HA 1 11 SER H 2.996 . 2.996 3.139 3.088 3.213 0.217 5 0 "[ . 1]" 1
110 1 10 LYS QB 1 10 LYS HD2 2.837 . 2.837 2.073 1.931 2.566 . 0 0 "[ . 1]" 1
111 1 10 LYS QB 1 11 SER H 4.219 . 4.219 3.681 3.241 3.855 . 0 0 "[ . 1]" 1
112 1 10 LYS QD 1 10 LYS HG2 2.295 . 2.295 2.152 2.136 2.283 . 0 0 "[ . 1]" 1
113 1 10 LYS QD 1 11 SER H 4.744 . 4.744 3.850 3.542 4.759 0.015 7 0 "[ . 1]" 1
114 1 10 LYS QE 1 10 LYS HG3 3.178 . 3.178 2.315 2.147 2.702 . 0 0 "[ . 1]" 1
115 1 10 LYS QE 1 11 SER H 5.627 . 5.627 5.550 5.435 5.757 0.130 7 0 "[ . 1]" 1
116 1 10 LYS HG2 1 11 SER H 4.585 . 4.585 3.476 3.183 4.074 . 0 0 "[ . 1]" 1
117 1 10 LYS HG3 1 11 SER H 5.125 . 5.125 4.945 4.798 5.254 0.129 1 0 "[ . 1]" 1
118 1 11 SER H 1 11 SER QB 3.051 . 3.051 2.349 2.312 2.442 . 0 0 "[ . 1]" 1
119 1 11 SER H 1 12 ASP HB2 4.155 . 4.155 3.855 3.739 3.978 . 0 0 "[ . 1]" 1
120 1 11 SER HA 1 12 ASP HB2 5.018 . 5.018 5.147 5.093 5.238 0.220 3 0 "[ . 1]" 1
121 1 11 SER HA 1 12 ASP HB3 5.018 . 5.018 5.179 5.117 5.223 0.205 7 0 "[ . 1]" 1
122 1 12 ASP H 1 12 ASP HA 2.826 . 2.826 2.729 2.721 2.734 . 0 0 "[ . 1]" 1
123 1 12 ASP H 1 12 ASP HB2 3.848 . 3.848 2.010 1.984 2.057 . 0 0 "[ . 1]" 1
124 1 12 ASP H 1 12 ASP HB3 3.755 . 3.755 2.751 2.645 2.819 . 0 0 "[ . 1]" 1
125 1 12 ASP H 1 13 PRO HD2 4.687 . 4.687 4.687 4.665 4.699 0.012 10 0 "[ . 1]" 1
126 1 12 ASP HB2 1 13 PRO HD2 . . 4.758 4.453 4.407 4.512 . 0 0 "[ . 1]" 1
127 1 12 ASP HB2 1 13 PRO HD3 . . 4.585 4.739 4.709 4.761 0.176 7 0 "[ . 1]" 1
128 1 12 ASP HB3 1 13 PRO HA 4.660 . 4.660 4.852 4.830 4.881 0.221 6 0 "[ . 1]" 1
129 1 12 ASP HB3 1 13 PRO HD2 . . 4.820 4.401 4.312 4.493 . 0 0 "[ . 1]" 1
130 1 12 ASP HB3 1 13 PRO HD3 . . 4.561 4.744 4.730 4.761 0.200 6 0 "[ . 1]" 1
131 1 13 PRO HA 1 13 PRO HD2 4.820 . 4.820 4.006 4.000 4.010 . 0 0 "[ . 1]" 1
132 1 13 PRO HA 1 13 PRO HD3 4.273 . 4.273 3.604 3.569 3.635 . 0 0 "[ . 1]" 1
133 1 13 PRO HA 1 14 TYR H 3.068 . 3.068 3.390 3.386 3.397 0.329 3 0 "[ . 1]" 1
134 1 13 PRO HA 1 14 TYR QD 4.715 . 4.715 4.533 4.467 4.610 . 0 0 "[ . 1]" 1
135 1 13 PRO HA 1 15 HIS H 5.552 . 5.552 4.559 4.495 4.600 . 0 0 "[ . 1]" 1
136 1 13 PRO HA 1 16 ALA MB 3.904 . 3.904 1.781 1.767 1.812 0.033 10 0 "[ . 1]" 1
137 1 13 PRO QB 1 14 TYR HE1 5.552 . 5.552 4.815 4.772 4.854 . 0 0 "[ . 1]" 1
138 1 13 PRO HB2 1 14 TYR H 4.527 . 4.527 3.217 3.184 3.248 . 0 0 "[ . 1]" 1
139 1 13 PRO HB3 1 13 PRO HD2 4.036 . 4.036 3.880 3.857 3.902 . 0 0 "[ . 1]" 1
140 1 13 PRO HB3 1 13 PRO HD3 4.305 . 4.305 3.164 3.109 3.217 . 0 0 "[ . 1]" 1
141 1 13 PRO HB3 1 14 TYR H 4.549 . 4.549 4.086 4.067 4.131 . 0 0 "[ . 1]" 1
142 1 13 PRO HB3 1 14 TYR QD 5.247 . 5.247 5.344 5.325 5.360 0.113 5 0 "[ . 1]" 1
143 1 13 PRO HB3 1 14 TYR QE 5.080 . 5.080 5.273 5.245 5.295 0.215 9 0 "[ . 1]" 1
144 1 13 PRO HD2 1 14 TYR H 4.701 . 4.701 2.698 2.636 2.787 . 0 0 "[ . 1]" 1
145 1 13 PRO HD2 1 14 TYR QD 5.038 . 5.038 3.059 3.026 3.102 . 0 0 "[ . 1]" 1
146 1 13 PRO HD2 1 14 TYR QE 5.247 . 5.247 1.721 1.699 1.754 0.101 8 0 "[ . 1]" 1
147 1 13 PRO HD3 1 14 TYR H 4.384 . 4.384 3.894 3.848 3.948 . 0 0 "[ . 1]" 1
148 1 13 PRO HD3 1 14 TYR QD 5.517 . 5.517 4.443 4.405 4.496 . 0 0 "[ . 1]" 1
149 1 13 PRO HD3 1 14 TYR QE 5.842 . 5.842 3.208 3.146 3.273 . 0 0 "[ . 1]" 1
150 1 13 PRO HG2 1 14 TYR QD 4.687 . 4.687 3.640 3.574 3.715 . 0 0 "[ . 1]" 1
151 1 13 PRO HG2 1 14 TYR QE 5.102 . 5.102 3.310 3.187 3.405 . 0 0 "[ . 1]" 1
152 1 13 PRO HG3 1 14 TYR QD 5.221 . 5.221 4.944 4.888 4.993 . 0 0 "[ . 1]" 1
153 1 13 PRO HG3 1 14 TYR QE 5.450 . 5.450 4.178 4.112 4.226 . 0 0 "[ . 1]" 1
154 1 14 TYR H 1 14 TYR QB 3.432 . 3.432 2.937 2.923 2.957 . 0 0 "[ . 1]" 1
155 1 14 TYR H 1 14 TYR QD 3.926 . 3.926 1.749 1.722 1.762 0.078 5 0 "[ . 1]" 1
156 1 14 TYR H 1 14 TYR QE 5.148 . 5.148 3.003 2.990 3.016 . 0 0 "[ . 1]" 1
157 1 14 TYR H 1 15 HIS H 4.162 . 4.162 2.631 2.538 2.673 . 0 0 "[ . 1]" 1
158 1 14 TYR H 1 16 ALA H 3.722 . 3.722 3.404 3.304 3.452 . 0 0 "[ . 1]" 1
159 1 14 TYR HA 1 14 TYR QD 3.345 . 3.345 3.457 3.451 3.466 0.121 9 0 "[ . 1]" 1
160 1 14 TYR HA 1 15 HIS H 3.600 . 3.600 3.490 3.483 3.494 . 0 0 "[ . 1]" 1
161 1 14 TYR HA 1 15 HIS HB2 5.589 . 5.589 5.752 5.739 5.765 0.176 2 0 "[ . 1]" 1
162 1 14 TYR HA 1 15 HIS HD2 4.978 . 4.978 4.685 4.468 4.776 . 0 0 "[ . 1]" 1
163 1 14 TYR HA 1 16 ALA H 4.096 . 4.096 3.984 3.947 4.012 . 0 0 "[ . 1]" 1
164 1 14 TYR HA 1 16 ALA MB 5.969 . 5.969 4.277 4.193 4.386 . 0 0 "[ . 1]" 1
165 1 14 TYR HA 1 17 THR H 4.836 . 4.836 3.459 3.409 3.567 . 0 0 "[ . 1]" 1
166 1 14 TYR HA 1 17 THR HB 5.357 . 5.357 2.984 2.769 3.236 . 0 0 "[ . 1]" 1
167 1 14 TYR HA 1 17 THR MG 6.000 . 6.000 3.011 2.903 3.555 . 0 0 "[ . 1]" 1
168 1 14 TYR HA 1 18 SER H 4.289 . 4.289 4.362 4.311 4.395 0.106 5 0 "[ . 1]" 1
169 1 14 TYR QB 1 14 TYR QD 3.090 . 3.090 2.147 2.140 2.158 . 0 0 "[ . 1]" 1
170 1 14 TYR QB 1 14 TYR HD2 3.299 . 3.299 2.299 2.293 2.305 . 0 0 "[ . 1]" 1
171 1 14 TYR QB 1 14 TYR HE1 4.322 . 4.322 4.435 4.425 4.449 0.127 9 0 "[ . 1]" 1
172 1 14 TYR QB 1 14 TYR QE 3.794 . 3.794 3.909 3.907 3.912 0.118 9 0 "[ . 1]" 1
173 1 14 TYR QB 1 15 HIS H 4.169 . 4.169 2.601 2.566 2.635 . 0 0 "[ . 1]" 1
174 1 14 TYR QB 1 15 HIS HD2 5.080 . 5.080 2.554 2.272 2.686 . 0 0 "[ . 1]" 1
175 1 14 TYR QB 1 16 ALA H 5.300 . 5.300 4.300 4.280 4.322 . 0 0 "[ . 1]" 1
176 1 14 TYR HB2 1 15 HIS HE1 5.273 . 5.273 5.364 5.351 5.372 0.099 6 0 "[ . 1]" 1
177 1 14 TYR QD 1 15 HIS H 4.413 . 4.413 1.879 1.802 1.927 . 0 0 "[ . 1]" 1
178 1 14 TYR QD 1 15 HIS HA 5.221 . 5.221 4.578 4.509 4.617 . 0 0 "[ . 1]" 1
179 1 14 TYR QD 1 15 HIS HB2 4.887 . 4.887 3.614 3.533 3.656 . 0 0 "[ . 1]" 1
180 1 14 TYR QD 1 15 HIS HE1 . . 5.328 5.298 5.215 5.351 0.023 2 0 "[ . 1]" 1
181 1 14 TYR QD 1 16 ALA H 5.483 . 5.483 3.528 3.451 3.583 . 0 0 "[ . 1]" 1
182 1 14 TYR QD 1 16 ALA MB 4.744 . 4.744 4.192 4.139 4.243 . 0 0 "[ . 1]" 1
183 1 14 TYR QD 1 17 THR HB 5.891 . 5.891 5.650 5.459 5.789 . 0 0 "[ . 1]" 1
184 1 14 TYR QE 1 15 HIS H 5.328 . 5.328 4.086 3.996 4.134 . 0 0 "[ . 1]" 1
185 1 14 TYR QE 1 16 ALA H 5.300 . 5.300 5.243 5.156 5.296 . 0 0 "[ . 1]" 1
186 1 14 TYR QE 1 16 ALA MB 4.687 . 4.687 5.063 5.015 5.101 0.414 5 0 "[ . 1]" 1
187 1 15 HIS H 1 15 HIS HB2 4.148 . 4.148 2.364 2.353 2.379 . 0 0 "[ . 1]" 1
188 1 15 HIS H 1 15 HIS HB3 4.257 . 4.257 3.559 3.554 3.563 . 0 0 "[ . 1]" 1
189 1 15 HIS H 1 15 HIS HD2 . . 4.597 3.060 2.857 3.142 . 0 0 "[ . 1]" 1
190 1 15 HIS H 1 16 ALA H 4.729 . 4.729 2.172 2.160 2.190 . 0 0 "[ . 1]" 1
191 1 15 HIS H 1 16 ALA MB 6.000 . 6.000 3.604 3.592 3.626 . 0 0 "[ . 1]" 1
192 1 15 HIS HA 1 15 HIS HD2 4.014 . 4.014 2.357 2.305 2.430 . 0 0 "[ . 1]" 1
193 1 15 HIS HA 1 16 ALA H 3.294 . 3.294 3.317 3.308 3.320 0.026 8 0 "[ . 1]" 1
194 1 15 HIS HA 1 16 ALA MB 4.647 . 4.647 4.743 4.733 4.751 0.104 9 0 "[ . 1]" 1
195 1 15 HIS HA 1 17 THR H 3.498 . 3.498 3.731 3.717 3.762 0.264 10 0 "[ . 1]" 1
196 1 15 HIS HA 1 18 SER H 3.457 . 3.457 3.052 2.996 3.156 . 0 0 "[ . 1]" 1
197 1 15 HIS HB2 1 15 HIS HD2 4.115 . 4.115 3.755 3.707 3.773 . 0 0 "[ . 1]" 1
198 1 15 HIS HB2 1 16 ALA H 4.413 . 4.413 2.871 2.851 2.893 . 0 0 "[ . 1]" 1
199 1 15 HIS HB3 1 15 HIS HD2 4.169 . 4.169 3.611 3.587 3.667 . 0 0 "[ . 1]" 1
200 1 15 HIS HB3 1 16 ALA H 4.357 . 4.357 3.894 3.873 3.913 . 0 0 "[ . 1]" 1
201 1 15 HIS HD2 1 16 ALA H . . 4.820 4.721 4.595 4.764 . 0 0 "[ . 1]" 1
202 1 15 HIS HD2 1 16 ALA MB 6.000 . 6.000 5.979 5.861 6.014 0.014 8 0 "[ . 1]" 1
203 1 16 ALA H 1 16 ALA MB . . 3.468 1.964 1.952 1.991 . 0 0 "[ . 1]" 1
204 1 16 ALA HA 1 18 SER H 4.366 . 4.366 4.418 4.136 4.484 0.118 9 0 "[ . 1]" 1
205 1 16 ALA HA 1 19 GLY H 3.170 . 3.170 3.393 3.362 3.473 0.303 10 0 "[ . 1]" 1
206 1 16 ALA HA 1 20 ALA H 5.273 . 5.273 4.135 3.880 4.308 . 0 0 "[ . 1]" 1
207 1 16 ALA MB 1 17 THR H 3.914 . 3.914 2.543 2.496 2.631 . 0 0 "[ . 1]" 1
208 1 16 ALA MB 1 17 THR HB 3.175 . 3.175 3.367 3.351 3.430 0.255 10 0 "[ . 1]" 1
209 1 17 THR H 1 17 THR HB 3.108 . 3.108 2.034 2.000 2.098 . 0 0 "[ . 1]" 1
210 1 17 THR H 1 17 THR HG1 3.883 . 3.883 3.924 2.932 4.053 0.170 9 0 "[ . 1]" 1
211 1 17 THR H 1 18 SER H 3.372 . 3.372 2.101 1.934 2.154 . 0 0 "[ . 1]" 1
212 1 17 THR HA 1 17 THR HG1 3.202 . 3.202 2.054 2.011 2.322 . 0 0 "[ . 1]" 1
213 1 17 THR HA 1 18 SER H 3.182 . 3.182 3.357 3.298 3.366 0.184 3 0 "[ . 1]" 1
214 1 17 THR HA 1 21 LEU H 4.289 . 4.289 4.333 4.312 4.364 0.075 9 0 "[ . 1]" 1
215 1 17 THR HB 1 18 SER H 2.959 . 2.959 3.139 3.005 3.167 0.208 9 0 "[ . 1]" 1
216 1 17 THR HG1 1 18 SER H 4.048 . 4.048 4.276 4.259 4.358 0.310 10 0 "[ . 1]" 1
217 1 18 SER H 1 18 SER HB2 4.090 . 4.090 3.654 3.643 3.704 . 0 0 "[ . 1]" 1
218 1 18 SER H 1 18 SER HB3 3.955 . 3.955 2.725 2.654 2.915 . 0 0 "[ . 1]" 1
219 1 18 SER H 1 19 GLY H 3.950 . 3.950 2.390 2.079 2.470 . 0 0 "[ . 1]" 1
220 1 18 SER H 1 20 ALA H 5.059 . 5.059 4.654 4.439 4.759 . 0 0 "[ . 1]" 1
221 1 18 SER HA 1 19 GLY H 3.185 . 3.185 3.377 3.348 3.396 0.211 4 0 "[ . 1]" 1
222 1 18 SER HA 1 19 GLY QA 4.413 . 4.413 4.389 4.377 4.397 . 0 0 "[ . 1]" 1
223 1 18 SER HA 1 20 ALA H 5.300 . 5.300 4.923 4.842 4.971 . 0 0 "[ . 1]" 1
224 1 18 SER HA 1 21 LEU H 5.450 . 5.450 3.409 3.357 3.464 . 0 0 "[ . 1]" 1
225 1 18 SER HA 1 21 LEU QB 5.666 . 5.666 2.068 1.966 2.208 . 0 0 "[ . 1]" 1
226 1 18 SER HA 1 21 LEU HB3 5.627 . 5.627 3.584 3.433 3.723 . 0 0 "[ . 1]" 1
227 1 18 SER HB2 1 19 GLY H . . 3.981 4.089 4.058 4.127 0.146 10 0 "[ . 1]" 1
228 1 18 SER HB2 1 24 ALA HA 4.978 . 4.978 5.021 4.996 5.045 0.067 9 0 "[ . 1]" 1
229 1 18 SER HB3 1 19 GLY H 4.744 . 4.744 4.186 4.144 4.264 . 0 0 "[ . 1]" 1
230 1 18 SER HB3 1 24 ALA HA 5.589 . 5.589 5.586 5.455 5.614 0.025 4 0 "[ . 1]" 1
231 1 19 GLY H 1 20 ALA H 3.906 . 3.906 2.753 2.697 2.810 . 0 0 "[ . 1]" 1
232 1 19 GLY QA 1 20 ALA H 2.951 . 2.951 2.536 2.511 2.569 . 0 0 "[ . 1]" 1
233 1 19 GLY QA 1 20 ALA HA 4.422 . 4.422 4.013 4.009 4.018 . 0 0 "[ . 1]" 1
234 1 19 GLY QA 1 20 ALA MB . . 4.190 4.068 4.042 4.106 . 0 0 "[ . 1]" 1
235 1 19 GLY QA 1 21 LEU H 4.660 . 4.660 3.488 3.476 3.521 . 0 0 "[ . 1]" 1
236 1 19 GLY QA 1 21 LEU HA 5.387 . 5.387 5.585 5.571 5.597 0.210 10 0 "[ . 1]" 1
237 1 19 GLY QA 1 22 SER HB3 4.634 . 4.634 4.673 4.662 4.684 0.050 4 0 "[ . 1]" 1
238 1 20 ALA H 1 20 ALA MB 3.311 . 3.311 2.150 2.093 2.248 . 0 0 "[ . 1]" 1
239 1 20 ALA H 1 21 LEU H 3.826 . 3.826 2.493 2.481 2.506 . 0 0 "[ . 1]" 1
240 1 20 ALA MB 1 21 LEU H 3.859 . 3.859 2.869 2.828 2.909 . 0 0 "[ . 1]" 1
241 1 20 ALA MB 1 21 LEU HA 5.038 . 5.038 3.977 3.924 4.031 . 0 0 "[ . 1]" 1
242 1 21 LEU H 1 21 LEU HA 2.814 . 2.814 2.890 2.885 2.894 0.080 2 0 "[ . 1]" 1
243 1 21 LEU H 1 21 LEU QB 3.020 . 3.020 2.444 2.421 2.464 . 0 0 "[ . 1]" 1
244 1 21 LEU H 1 21 LEU MD1 4.096 . 4.096 3.897 3.864 3.932 . 0 0 "[ . 1]" 1
245 1 21 LEU H 1 21 LEU MD2 4.135 . 4.135 3.562 3.474 3.597 . 0 0 "[ . 1]" 1
246 1 21 LEU H 1 21 LEU HG 3.531 . 3.531 2.704 2.632 2.746 . 0 0 "[ . 1]" 1
247 1 21 LEU HA 1 21 LEU MD1 4.758 . 4.758 3.839 3.831 3.846 . 0 0 "[ . 1]" 1
248 1 21 LEU HA 1 21 LEU MD2 3.613 . 3.613 2.111 1.971 2.162 . 0 0 "[ . 1]" 1
249 1 21 LEU HA 1 21 LEU HG 4.135 . 4.135 3.131 3.100 3.179 . 0 0 "[ . 1]" 1
250 1 21 LEU HA 1 24 ALA H 4.141 . 4.141 4.220 4.209 4.236 0.095 5 0 "[ . 1]" 1
251 1 21 LEU HA 1 24 ALA MB 4.820 . 4.820 3.595 3.555 3.649 . 0 0 "[ . 1]" 1
252 1 21 LEU QB 1 21 LEU MD1 3.075 . 3.075 2.074 2.063 2.091 . 0 0 "[ . 1]" 1
253 1 21 LEU QB 1 21 LEU MD2 3.108 . 3.108 2.274 2.240 2.335 . 0 0 "[ . 1]" 1
254 1 21 LEU HB2 1 21 LEU MD1 3.381 . 3.381 2.333 2.245 2.407 . 0 0 "[ . 1]" 1
255 1 22 SER H 1 22 SER HB2 3.843 . 3.843 3.102 3.048 3.162 . 0 0 "[ . 1]" 1
256 1 22 SER H 1 22 SER HB3 3.503 . 3.503 3.703 3.679 3.724 0.221 1 0 "[ . 1]" 1
257 1 22 SER H 1 24 ALA H 4.211 . 4.211 4.043 4.013 4.063 . 0 0 "[ . 1]" 1
258 1 22 SER HA 1 22 SER HB3 3.096 . 3.096 2.427 2.415 2.435 . 0 0 "[ . 1]" 1
259 1 22 SER HA 1 24 ALA H 5.517 . 5.517 3.715 3.651 3.811 . 0 0 "[ . 1]" 1
260 1 22 SER HB2 1 23 PRO HG2 5.750 . 5.750 4.137 4.061 4.181 . 0 0 "[ . 1]" 1
261 1 22 SER HB2 1 24 ALA H 4.922 . 4.922 4.252 4.212 4.291 . 0 0 "[ . 1]" 1
262 1 22 SER HB3 1 24 ALA H 4.647 . 4.647 4.699 4.687 4.716 0.069 4 0 "[ . 1]" 1
263 1 23 PRO HA 1 23 PRO HG2 3.955 . 3.955 3.846 3.775 3.909 . 0 0 "[ . 1]" 1
264 1 23 PRO HA 1 23 PRO HG3 3.794 . 3.794 3.404 2.872 3.940 0.146 3 0 "[ . 1]" 1
265 1 23 PRO HA 1 24 ALA H 2.696 . 2.696 3.186 3.153 3.231 0.535 1 5 "[+***- 1]" 1
266 1 23 PRO HA 1 24 ALA MB 4.694 . 4.694 4.736 4.712 4.781 0.087 1 0 "[ . 1]" 1
267 1 23 PRO QB 1 24 ALA H 4.773 . 4.773 3.247 3.102 3.425 . 0 0 "[ . 1]" 1
268 1 23 PRO HB2 1 23 PRO HG3 3.027 . 3.027 2.815 2.632 2.988 . 0 0 "[ . 1]" 1
269 1 23 PRO HB2 1 24 ALA H 4.054 . 4.054 3.379 3.194 3.608 . 0 0 "[ . 1]" 1
270 1 23 PRO HD3 1 24 ALA H 5.328 . 5.328 3.796 3.645 3.949 . 0 0 "[ . 1]" 1
271 1 23 PRO HG2 1 24 ALA H 4.505 . 4.505 3.651 2.850 4.444 . 0 0 "[ . 1]" 1
272 1 23 PRO HG3 1 24 ALA H 4.090 . 4.090 4.332 4.222 4.420 0.330 9 0 "[ . 1]" 1
273 1 24 ALA H 1 24 ALA MB 3.286 . 3.286 2.070 2.052 2.085 . 0 0 "[ . 1]" 1
274 1 24 ALA H 1 25 LYS HG3 4.870 . 4.870 4.700 4.075 4.922 0.052 9 0 "[ . 1]" 1
275 1 24 ALA HA 1 25 LYS H 3.505 . 3.505 3.509 3.462 3.532 0.027 3 0 "[ . 1]" 1
276 1 25 LYS H 1 25 LYS HB2 4.162 . 4.162 3.273 2.463 3.645 . 0 0 "[ . 1]" 1
277 1 25 LYS H 1 25 LYS HB3 3.684 . 3.684 3.073 2.660 3.591 . 0 0 "[ . 1]" 1
278 1 25 LYS H 1 25 LYS QD . . 4.904 3.965 3.761 4.218 . 0 0 "[ . 1]" 1
279 1 25 LYS H 1 25 LYS HG3 4.162 . 4.162 2.584 2.138 2.892 . 0 0 "[ . 1]" 1
280 1 25 LYS H 1 26 ASP H 3.835 . 3.835 2.710 2.132 3.467 . 0 0 "[ . 1]" 1
281 1 25 LYS HA 1 25 LYS HG3 3.722 . 3.722 3.530 3.037 3.747 0.025 10 0 "[ . 1]" 1
282 1 25 LYS HA 1 26 ASP H 4.042 . 4.042 3.503 3.447 3.535 . 0 0 "[ . 1]" 1
283 1 25 LYS HB2 1 26 ASP H 4.473 . 4.473 3.167 1.856 3.899 . 0 0 "[ . 1]" 1
284 1 25 LYS HB3 1 26 ASP H 4.853 . 4.853 3.619 2.495 4.238 . 0 0 "[ . 1]" 1
285 1 25 LYS HD2 1 26 ASP H 5.357 . 5.357 4.610 4.192 5.337 . 0 0 "[ . 1]" 1
286 1 25 LYS HG2 1 26 ASP H 4.432 . 4.432 3.499 2.874 4.495 0.063 6 0 "[ . 1]" 1
287 1 25 LYS HG3 1 26 ASP H 4.729 . 4.729 2.783 1.989 4.174 . 0 0 "[ . 1]" 1
288 1 26 ASP H 1 26 ASP HB2 3.755 . 3.755 3.014 2.498 3.707 . 0 0 "[ . 1]" 1
289 1 26 ASP H 1 26 ASP HB3 . . 3.826 3.225 2.483 3.698 . 0 0 "[ . 1]" 1
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