NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
513804 |
2lb1   |
17543 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lb1
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 273
_Distance_constraint_stats_list.Viol_count 415
_Distance_constraint_stats_list.Viol_total 145.515
_Distance_constraint_stats_list.Viol_max 0.118
_Distance_constraint_stats_list.Viol_rms 0.0078
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0175
_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 0.004 0.004 1 0 "[ . 1 . 2]"
1 2 GLY 0.004 0.004 1 0 "[ . 1 . 2]"
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.011 0.003 7 0 "[ . 1 . 2]"
1 5 PRO 0.047 0.016 5 0 "[ . 1 . 2]"
1 6 PRO 0.034 0.016 5 0 "[ . 1 . 2]"
1 7 GLY 0.002 0.002 18 0 "[ . 1 . 2]"
1 8 TRP 3.439 0.118 15 0 "[ . 1 . 2]"
1 9 GLU 0.100 0.011 17 0 "[ . 1 . 2]"
1 10 VAL 0.032 0.009 7 0 "[ . 1 . 2]"
1 11 ARG 0.780 0.048 5 0 "[ . 1 . 2]"
1 12 SER 0.139 0.025 5 0 "[ . 1 . 2]"
1 13 THR 0.206 0.024 16 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.031 0.009 1 0 "[ . 1 . 2]"
1 18 ILE 0.298 0.027 5 0 "[ . 1 . 2]"
1 19 TYR 1.185 0.070 7 0 "[ . 1 . 2]"
1 20 PHE 4.336 0.118 15 0 "[ . 1 . 2]"
1 21 VAL 1.079 0.032 2 0 "[ . 1 . 2]"
1 22 ASP 0.202 0.022 8 0 "[ . 1 . 2]"
1 23 HIS 0.633 0.031 14 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 0.194 0.018 13 0 "[ . 1 . 2]"
1 26 ARG 0.202 0.018 13 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 0.003 0.002 11 0 "[ . 1 . 2]"
1 30 PHE 0.281 0.024 16 0 "[ . 1 . 2]"
1 31 THR 0.002 0.002 11 0 "[ . 1 . 2]"
1 32 ASP 0.186 0.028 12 0 "[ . 1 . 2]"
1 33 PRO 0.024 0.011 12 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 PRO 0.013 0.009 1 0 "[ . 1 . 2]"
2 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 TYR 0.873 0.048 5 0 "[ . 1 . 2]"
2 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 PRO 0.209 0.017 8 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 2 GLY H 3.309 . 4.700 2.891 2.144 3.606 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HB2 1 2 GLY H 3.772 2.024 5.520 3.695 2.814 4.406 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU MD1 1 2 GLY H 4.283 2.142 6.423 4.264 2.570 5.324 . 0 0 "[ . 1 . 2]" 1
4 1 1 LEU MD2 1 2 GLY H 4.022 2.082 5.962 4.478 2.990 5.128 . 0 0 "[ . 1 . 2]" 1
5 1 1 LEU HG 1 2 GLY H 3.928 2.060 5.796 4.599 3.403 5.800 0.004 1 0 "[ . 1 . 2]" 1
6 1 3 PRO HA 1 4 LEU H 2.785 . 3.773 2.185 2.122 2.239 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU HA 1 5 PRO HD2 3.191 . 4.492 2.580 2.465 2.649 . 0 0 "[ . 1 . 2]" 1
8 1 4 LEU HA 1 5 PRO HD3 2.970 . 4.100 1.867 1.837 1.924 0.002 17 0 "[ . 1 . 2]" 1
9 1 4 LEU HB2 1 20 PHE QE 4.607 2.217 6.997 5.878 5.413 6.171 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU HB3 1 20 PHE QE 4.488 2.190 6.787 6.596 6.297 6.790 0.003 7 0 "[ . 1 . 2]" 1
11 1 4 LEU MD1 1 20 PHE QE 4.253 2.135 6.371 2.724 2.394 2.935 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU MD1 1 20 PHE HZ 3.618 . 5.247 2.323 1.991 2.724 . 0 0 "[ . 1 . 2]" 1
13 1 5 PRO HA 1 6 PRO HD2 3.388 . 4.840 2.176 1.933 3.023 0.002 4 0 "[ . 1 . 2]" 1
14 1 5 PRO HA 1 6 PRO HD3 3.681 2.003 5.359 2.311 1.987 2.540 0.016 5 0 "[ . 1 . 2]" 1
15 1 5 PRO HB2 1 8 TRP HD1 3.824 2.036 5.612 2.602 2.414 2.936 . 0 0 "[ . 1 . 2]" 1
16 1 5 PRO HB2 1 8 TRP HE1 4.277 2.141 6.414 3.141 2.579 4.179 . 0 0 "[ . 1 . 2]" 1
17 1 5 PRO HB3 1 8 TRP HD1 3.367 . 4.804 4.274 4.057 4.640 . 0 0 "[ . 1 . 2]" 1
18 1 5 PRO HB3 1 8 TRP HE1 3.927 2.060 5.793 4.286 3.708 5.381 . 0 0 "[ . 1 . 2]" 1
19 1 5 PRO HG2 1 8 TRP HD1 3.928 2.060 5.795 4.007 3.313 4.348 . 0 0 "[ . 1 . 2]" 1
20 1 5 PRO HG2 1 8 TRP HE1 4.255 2.136 6.374 3.180 2.828 3.523 . 0 0 "[ . 1 . 2]" 1
21 1 5 PRO HG3 1 8 TRP HD1 3.754 2.020 5.488 5.305 4.886 5.491 0.002 1 0 "[ . 1 . 2]" 1
22 1 5 PRO HG3 1 8 TRP HE1 4.105 2.101 6.109 4.774 4.448 5.217 . 0 0 "[ . 1 . 2]" 1
23 1 6 PRO HA 1 7 GLY H 3.546 . 5.119 2.154 2.132 2.174 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLY H 1 8 TRP H 4.089 2.097 6.080 2.199 2.095 2.375 0.002 18 0 "[ . 1 . 2]" 1
25 1 7 GLY HA3 1 8 TRP H 4.081 2.095 6.065 3.174 3.044 3.286 . 0 0 "[ . 1 . 2]" 1
26 1 8 TRP H 1 9 GLU H 4.408 2.171 6.645 4.260 4.156 4.358 . 0 0 "[ . 1 . 2]" 1
27 1 8 TRP HA 1 9 GLU H 3.814 2.034 5.594 2.143 2.106 2.177 . 0 0 "[ . 1 . 2]" 1
28 1 8 TRP HA 1 20 PHE QE 4.360 2.160 6.560 3.929 3.757 4.116 . 0 0 "[ . 1 . 2]" 1
29 1 8 TRP HA 1 22 ASP HA 4.323 2.151 6.460 2.690 2.554 2.983 . 0 0 "[ . 1 . 2]" 1
30 1 8 TRP HA 1 23 HIS H 4.190 2.121 6.259 4.152 3.929 4.489 . 0 0 "[ . 1 . 2]" 1
31 1 8 TRP HA 1 23 HIS HD2 4.507 2.194 6.820 6.840 6.828 6.851 0.031 14 0 "[ . 1 . 2]" 1
32 1 8 TRP HB2 1 9 GLU H 4.090 2.098 6.083 4.535 4.497 4.575 . 0 0 "[ . 1 . 2]" 1
33 1 8 TRP HB3 1 9 GLU H 4.037 2.086 5.989 3.778 3.650 3.894 . 0 0 "[ . 1 . 2]" 1
34 1 8 TRP HE3 1 20 PHE HZ 1.750 . 2.250 2.352 2.345 2.368 0.118 15 0 "[ . 1 . 2]" 1
35 1 8 TRP HH2 1 20 PHE HB2 3.892 2.052 5.733 4.785 4.520 4.994 . 0 0 "[ . 1 . 2]" 1
36 1 8 TRP HH2 1 20 PHE HB3 3.782 2.027 5.538 4.854 4.603 5.110 . 0 0 "[ . 1 . 2]" 1
37 1 8 TRP HH2 1 29 GLN HB2 3.855 2.044 5.667 3.547 3.248 4.305 . 0 0 "[ . 1 . 2]" 1
38 1 8 TRP HH2 1 29 GLN HB3 4.142 2.110 6.174 3.822 3.078 5.200 . 0 0 "[ . 1 . 2]" 1
39 1 8 TRP HH2 1 29 GLN HG2 4.017 2.081 5.953 4.367 2.270 5.297 . 0 0 "[ . 1 . 2]" 1
40 1 8 TRP HH2 1 29 GLN HG3 4.209 2.125 6.292 3.424 2.355 4.018 . 0 0 "[ . 1 . 2]" 1
41 1 8 TRP HH2 1 32 ASP HA 4.145 2.110 6.180 4.666 4.284 5.084 . 0 0 "[ . 1 . 2]" 1
42 1 8 TRP HH2 1 33 PRO HG3 4.408 2.171 6.645 4.073 3.635 4.671 . 0 0 "[ . 1 . 2]" 1
43 1 8 TRP HZ3 1 18 ILE MG 4.028 2.083 5.972 5.951 5.723 5.983 0.012 8 0 "[ . 1 . 2]" 1
44 1 8 TRP HZ3 1 20 PHE H 3.919 2.058 5.780 5.798 5.789 5.808 0.028 20 0 "[ . 1 . 2]" 1
45 1 8 TRP HZ3 1 20 PHE HB2 3.586 . 5.191 3.937 3.866 4.022 . 0 0 "[ . 1 . 2]" 1
46 1 8 TRP HZ3 1 20 PHE HB3 3.457 . 4.962 4.162 3.988 4.372 . 0 0 "[ . 1 . 2]" 1
47 1 8 TRP HZ3 1 21 VAL H 4.240 2.132 6.348 6.364 6.358 6.374 0.026 1 0 "[ . 1 . 2]" 1
48 1 8 TRP HZ3 1 22 ASP HB3 4.427 2.175 6.679 6.689 6.677 6.701 0.022 8 0 "[ . 1 . 2]" 1
49 1 8 TRP HZ3 1 29 GLN HB2 3.728 2.014 5.441 3.946 3.395 4.832 . 0 0 "[ . 1 . 2]" 1
50 1 8 TRP HZ3 1 29 GLN HG3 3.890 2.052 5.729 4.788 3.273 5.730 0.001 10 0 "[ . 1 . 2]" 1
51 1 8 TRP HZ3 1 31 THR MG 4.645 2.226 7.064 5.020 3.873 6.682 . 0 0 "[ . 1 . 2]" 1
52 1 8 TRP HZ3 1 32 ASP HA 3.691 2.006 5.376 3.047 2.668 3.386 . 0 0 "[ . 1 . 2]" 1
53 1 8 TRP HZ3 1 33 PRO HA 4.290 2.144 6.436 5.909 5.421 6.436 . 0 0 "[ . 1 . 2]" 1
54 1 8 TRP HZ3 1 33 PRO HG2 4.388 2.166 6.610 4.404 4.108 4.690 . 0 0 "[ . 1 . 2]" 1
55 1 8 TRP HZ3 1 33 PRO HG3 4.270 2.139 6.401 3.452 3.200 3.872 . 0 0 "[ . 1 . 2]" 1
56 1 9 GLU H 1 21 VAL HB 4.061 2.091 6.031 5.398 5.313 5.550 . 0 0 "[ . 1 . 2]" 1
57 1 9 GLU H 1 21 VAL MG1 4.564 2.207 6.920 5.803 5.732 5.870 . 0 0 "[ . 1 . 2]" 1
58 1 9 GLU HA 1 10 VAL H 4.133 2.108 6.157 2.142 2.104 2.200 0.004 2 0 "[ . 1 . 2]" 1
59 1 9 GLU HB2 1 21 VAL MG1 4.572 2.209 6.935 5.282 4.915 6.058 . 0 0 "[ . 1 . 2]" 1
60 1 9 GLU HB2 1 23 HIS HD2 4.210 2.125 6.295 3.986 3.759 4.288 . 0 0 "[ . 1 . 2]" 1
61 1 9 GLU HB3 1 21 VAL MG1 4.506 2.194 6.818 4.964 4.733 5.192 . 0 0 "[ . 1 . 2]" 1
62 1 9 GLU HB3 1 21 VAL MG2 4.688 2.236 7.139 2.279 2.225 2.463 0.011 17 0 "[ . 1 . 2]" 1
63 1 9 GLU HB3 1 23 HIS HD2 4.162 2.114 6.210 4.871 4.349 4.999 . 0 0 "[ . 1 . 2]" 1
64 1 9 GLU HG2 1 21 VAL MG1 5.124 2.336 7.911 6.473 6.239 6.722 . 0 0 "[ . 1 . 2]" 1
65 1 9 GLU HG2 1 23 HIS HD2 4.537 2.201 6.873 4.728 4.198 4.962 . 0 0 "[ . 1 . 2]" 1
66 1 9 GLU HG3 1 10 VAL H 3.382 . 4.830 3.825 3.305 4.170 . 0 0 "[ . 1 . 2]" 1
67 1 9 GLU HG3 1 23 HIS HD2 4.232 2.130 6.333 6.244 5.830 6.343 0.010 3 0 "[ . 1 . 2]" 1
68 1 10 VAL HA 1 11 ARG H 3.577 . 5.175 2.145 2.092 2.189 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL HA 1 21 VAL H 4.323 2.152 6.495 3.624 3.452 3.889 . 0 0 "[ . 1 . 2]" 1
70 1 10 VAL HB 1 11 ARG H 4.037 2.085 5.988 3.970 3.588 4.377 . 0 0 "[ . 1 . 2]" 1
71 1 10 VAL HB 1 20 PHE HZ 3.740 2.017 5.463 3.194 2.242 4.509 . 0 0 "[ . 1 . 2]" 1
72 1 10 VAL MG1 1 11 ARG H 4.226 2.129 6.323 4.305 4.155 4.414 . 0 0 "[ . 1 . 2]" 1
73 1 10 VAL MG1 1 20 PHE HA 4.975 2.302 7.648 5.148 4.428 5.953 . 0 0 "[ . 1 . 2]" 1
74 1 10 VAL MG1 1 20 PHE QD 4.526 2.198 6.854 4.340 3.634 5.217 . 0 0 "[ . 1 . 2]" 1
75 1 10 VAL MG1 1 20 PHE HZ 3.723 2.013 5.433 2.894 2.004 4.238 0.009 7 0 "[ . 1 . 2]" 1
76 1 10 VAL MG2 1 11 ARG H 3.915 2.057 5.773 3.632 3.141 4.215 . 0 0 "[ . 1 . 2]" 1
77 1 10 VAL MG2 1 20 PHE HA 4.469 2.185 6.753 5.200 4.308 6.064 . 0 0 "[ . 1 . 2]" 1
78 1 11 ARG H 1 19 TYR H 3.957 2.067 5.847 3.598 3.399 3.853 . 0 0 "[ . 1 . 2]" 1
79 1 11 ARG H 1 20 PHE HA 4.178 2.118 6.239 3.103 2.898 3.304 . 0 0 "[ . 1 . 2]" 1
80 1 11 ARG HA 1 12 SER H 3.510 . 5.057 2.140 2.088 2.202 . 0 0 "[ . 1 . 2]" 1
81 1 11 ARG HA 1 19 TYR QE 4.493 2.191 6.795 4.710 4.427 5.059 . 0 0 "[ . 1 . 2]" 1
82 1 11 ARG HB2 1 12 SER H 4.044 2.087 6.001 4.565 4.501 4.663 . 0 0 "[ . 1 . 2]" 1
83 1 11 ARG HB2 1 19 TYR QD 4.043 2.087 5.999 4.801 4.478 5.150 . 0 0 "[ . 1 . 2]" 1
84 1 11 ARG HB2 1 21 VAL MG1 4.287 2.143 6.431 2.848 2.466 3.273 . 0 0 "[ . 1 . 2]" 1
85 1 11 ARG HB3 1 12 SER H 4.422 2.174 6.669 4.335 4.245 4.403 . 0 0 "[ . 1 . 2]" 1
86 1 11 ARG HB3 1 12 SER HB3 4.290 2.144 6.435 6.411 6.253 6.461 0.025 5 0 "[ . 1 . 2]" 1
87 1 11 ARG HB3 1 21 VAL MG1 3.586 . 5.191 2.842 2.627 3.054 . 0 0 "[ . 1 . 2]" 1
88 1 11 ARG HB3 2 7 TYR HB2 4.300 2.146 6.455 6.484 6.471 6.503 0.048 5 0 "[ . 1 . 2]" 1
89 1 11 ARG HG2 1 12 SER H 4.219 2.128 6.311 4.080 3.748 4.643 . 0 0 "[ . 1 . 2]" 1
90 1 11 ARG HG2 1 19 TYR QE 4.363 2.161 6.566 4.137 3.800 4.485 . 0 0 "[ . 1 . 2]" 1
91 1 11 ARG HG2 1 21 VAL MG1 4.179 2.118 6.240 4.368 3.768 4.756 . 0 0 "[ . 1 . 2]" 1
92 1 11 ARG HG3 1 12 SER H 3.953 2.066 5.840 5.285 5.102 5.529 . 0 0 "[ . 1 . 2]" 1
93 1 11 ARG HG3 1 13 THR MG 4.383 2.165 6.600 4.555 4.250 5.118 . 0 0 "[ . 1 . 2]" 1
94 1 11 ARG HG3 1 19 TYR QE 4.359 2.160 6.558 3.281 2.842 3.783 . 0 0 "[ . 1 . 2]" 1
95 1 11 ARG HG3 2 7 TYR HB3 5.057 2.321 7.793 7.688 7.267 7.811 0.018 8 0 "[ . 1 . 2]" 1
96 1 12 SER HA 1 13 THR H 3.877 2.049 5.706 2.201 2.129 2.275 . 0 0 "[ . 1 . 2]" 1
97 1 12 SER HA 1 13 THR MG 4.343 2.156 6.530 3.706 3.564 3.956 . 0 0 "[ . 1 . 2]" 1
98 1 12 SER HA 1 18 ILE HA 4.184 2.119 6.248 2.381 2.109 2.792 0.011 3 0 "[ . 1 . 2]" 1
99 1 12 SER HA 1 18 ILE MD 4.609 2.217 6.664 4.176 2.466 4.844 . 0 0 "[ . 1 . 2]" 1
100 1 12 SER HA 1 18 ILE MG 4.751 2.250 7.016 5.058 4.815 5.448 . 0 0 "[ . 1 . 2]" 1
101 1 12 SER HA 1 19 TYR H 4.069 2.093 6.045 3.417 3.210 3.591 . 0 0 "[ . 1 . 2]" 1
102 1 12 SER HA 1 19 TYR QD 4.195 2.122 6.269 3.718 3.465 3.968 . 0 0 "[ . 1 . 2]" 1
103 1 12 SER HA 1 19 TYR QE 4.324 2.152 6.496 4.882 4.602 5.113 . 0 0 "[ . 1 . 2]" 1
104 1 12 SER HB2 1 13 THR H 4.235 2.131 6.339 3.552 2.898 4.444 . 0 0 "[ . 1 . 2]" 1
105 1 12 SER HB2 1 18 ILE MD 4.648 2.226 7.069 4.633 2.217 5.919 0.010 5 0 "[ . 1 . 2]" 1
106 1 12 SER HB2 1 18 ILE MG 4.493 2.191 6.795 5.770 4.893 6.221 . 0 0 "[ . 1 . 2]" 1
107 1 12 SER HB3 1 13 THR H 4.043 2.087 6.000 4.042 3.866 4.355 . 0 0 "[ . 1 . 2]" 1
108 1 12 SER HB3 1 18 ILE MD 4.670 2.232 7.108 4.127 2.230 6.267 0.001 12 0 "[ . 1 . 2]" 1
109 1 13 THR H 1 17 ARG H 4.092 2.098 6.086 3.396 3.261 3.622 . 0 0 "[ . 1 . 2]" 1
110 1 13 THR H 1 18 ILE HA 4.408 2.171 6.645 3.440 3.227 3.672 . 0 0 "[ . 1 . 2]" 1
111 1 13 THR H 1 19 TYR QD 4.508 2.194 6.822 4.012 3.387 4.504 . 0 0 "[ . 1 . 2]" 1
112 1 13 THR H 1 19 TYR QE 4.581 2.211 6.952 4.944 4.106 5.530 . 0 0 "[ . 1 . 2]" 1
113 1 13 THR HA 1 14 VAL H 4.271 2.139 6.402 2.233 2.170 2.292 . 0 0 "[ . 1 . 2]" 1
114 1 13 THR MG 1 14 VAL H 4.548 2.203 6.893 3.675 3.560 3.839 . 0 0 "[ . 1 . 2]" 1
115 1 13 THR MG 1 17 ARG HG2 4.312 2.149 6.475 4.466 3.959 4.767 . 0 0 "[ . 1 . 2]" 1
116 1 13 THR MG 1 17 ARG HG3 3.849 2.042 5.655 4.088 3.667 5.425 . 0 0 "[ . 1 . 2]" 1
117 1 13 THR MG 1 19 TYR QD 4.173 2.117 6.229 2.945 2.579 3.454 . 0 0 "[ . 1 . 2]" 1
118 1 13 THR MG 1 19 TYR QE 4.372 2.163 6.581 2.353 2.159 2.933 0.003 17 0 "[ . 1 . 2]" 1
119 1 13 THR MG 1 30 PHE QE 4.031 2.084 5.979 5.988 5.982 6.003 0.024 16 0 "[ . 1 . 2]" 1
120 1 14 VAL HA 1 15 SER H 4.117 2.104 6.131 3.409 3.387 3.429 . 0 0 "[ . 1 . 2]" 1
121 1 14 VAL HB 1 15 SER H 3.634 . 5.276 3.887 3.144 4.167 . 0 0 "[ . 1 . 2]" 1
122 1 15 SER HA 1 16 GLY H 4.171 2.116 6.225 3.390 3.366 3.417 . 0 0 "[ . 1 . 2]" 1
123 1 16 GLY H 1 17 ARG H 3.848 2.042 5.653 2.307 2.221 2.354 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLY HA2 1 17 ARG H 3.963 2.068 5.858 2.805 2.742 2.983 . 0 0 "[ . 1 . 2]" 1
125 1 16 GLY HA3 1 17 ARG H 4.155 2.113 6.197 3.523 3.452 3.544 . 0 0 "[ . 1 . 2]" 1
126 1 17 ARG HA 1 18 ILE H 3.283 . 4.654 2.137 2.102 2.182 . 0 0 "[ . 1 . 2]" 1
127 1 17 ARG HB2 1 18 ILE H 3.620 . 5.251 3.329 3.071 3.599 . 0 0 "[ . 1 . 2]" 1
128 1 17 ARG HB2 1 30 PHE QE 4.039 2.086 5.992 3.338 2.252 4.148 . 0 0 "[ . 1 . 2]" 1
129 1 17 ARG HB3 1 30 PHE QE 3.727 2.014 5.440 4.813 3.828 5.442 0.002 16 0 "[ . 1 . 2]" 1
130 1 17 ARG HD2 1 30 PHE QE 3.985 2.073 5.896 3.697 2.321 5.901 0.006 4 0 "[ . 1 . 2]" 1
131 1 17 ARG HD3 1 30 PHE QE 4.182 2.119 6.246 4.644 2.174 6.253 0.008 5 0 "[ . 1 . 2]" 1
132 1 17 ARG HG2 1 18 ILE H 3.591 . 5.200 4.994 4.008 5.209 0.009 1 0 "[ . 1 . 2]" 1
133 1 17 ARG HG2 1 30 PHE QE 4.319 2.150 6.487 5.141 3.821 5.886 . 0 0 "[ . 1 . 2]" 1
134 1 18 ILE H 1 19 TYR H 3.876 2.048 5.704 4.572 4.518 4.603 . 0 0 "[ . 1 . 2]" 1
135 1 18 ILE HA 1 19 TYR H 3.729 2.014 5.443 2.305 2.250 2.345 . 0 0 "[ . 1 . 2]" 1
136 1 18 ILE HA 1 19 TYR QD 4.180 2.118 6.241 3.755 3.586 3.963 . 0 0 "[ . 1 . 2]" 1
137 1 18 ILE HA 1 19 TYR QE 4.691 2.236 7.146 5.763 5.552 5.962 . 0 0 "[ . 1 . 2]" 1
138 1 18 ILE MD 1 19 TYR H 4.020 2.082 5.958 3.024 2.075 4.113 0.007 3 0 "[ . 1 . 2]" 1
139 1 18 ILE MD 1 20 PHE QE 4.323 2.151 6.495 2.978 2.423 3.890 . 0 0 "[ . 1 . 2]" 1
140 1 18 ILE MD 1 20 PHE HZ 3.946 2.064 5.828 3.426 3.150 4.187 . 0 0 "[ . 1 . 2]" 1
141 1 18 ILE HG12 1 19 TYR H 3.908 2.056 5.760 2.788 2.283 4.079 . 0 0 "[ . 1 . 2]" 1
142 1 18 ILE HG12 1 20 PHE QE 4.511 2.195 6.828 4.353 2.970 5.692 . 0 0 "[ . 1 . 2]" 1
143 1 18 ILE HG12 1 20 PHE HZ 4.170 2.116 6.223 5.205 4.472 6.225 0.002 19 0 "[ . 1 . 2]" 1
144 1 18 ILE HG13 1 19 TYR H 4.113 2.103 6.122 3.269 2.311 4.447 . 0 0 "[ . 1 . 2]" 1
145 1 18 ILE HG13 1 20 PHE QE 4.465 2.184 6.745 4.695 3.612 5.185 . 0 0 "[ . 1 . 2]" 1
146 1 18 ILE HG13 1 20 PHE HZ 3.812 2.034 5.591 5.357 4.936 5.605 0.014 15 0 "[ . 1 . 2]" 1
147 1 18 ILE MG 1 19 TYR H 4.166 2.115 6.217 3.614 3.385 3.774 . 0 0 "[ . 1 . 2]" 1
148 1 18 ILE MG 1 20 PHE QE 4.288 2.198 6.432 3.971 3.810 4.112 . 0 0 "[ . 1 . 2]" 1
149 1 18 ILE MG 1 20 PHE HZ 3.896 2.053 5.739 5.428 5.034 5.766 0.027 5 0 "[ . 1 . 2]" 1
150 1 19 TYR H 1 20 PHE H 4.410 2.171 6.648 4.118 4.017 4.173 . 0 0 "[ . 1 . 2]" 1
151 1 19 TYR H 1 20 PHE HZ 4.389 2.167 6.611 6.665 6.648 6.681 0.070 7 0 "[ . 1 . 2]" 1
152 1 19 TYR HA 1 20 PHE H 3.884 2.050 5.717 2.140 2.067 2.192 . 0 0 "[ . 1 . 2]" 1
153 1 19 TYR HB2 1 20 PHE H 4.304 2.147 6.461 3.174 3.035 3.291 . 0 0 "[ . 1 . 2]" 1
154 1 19 TYR HB3 1 20 PHE H 4.157 2.113 6.201 4.271 4.171 4.315 . 0 0 "[ . 1 . 2]" 1
155 1 19 TYR HB3 1 30 PHE HA 4.260 2.137 6.383 4.475 3.931 5.045 . 0 0 "[ . 1 . 2]" 1
156 1 19 TYR HB3 1 30 PHE QD 4.212 2.126 6.299 3.220 2.715 3.612 . 0 0 "[ . 1 . 2]" 1
157 1 19 TYR HB3 1 30 PHE QE 4.271 2.139 6.402 2.190 2.129 2.493 0.011 1 0 "[ . 1 . 2]" 1
158 1 19 TYR QD 1 20 PHE H 4.344 2.156 6.531 3.853 3.619 4.096 . 0 0 "[ . 1 . 2]" 1
159 1 19 TYR QD 1 21 VAL HB 4.592 2.214 6.971 6.199 6.058 6.404 . 0 0 "[ . 1 . 2]" 1
160 1 19 TYR QD 1 21 VAL MG1 4.356 2.159 6.554 3.328 3.101 3.554 . 0 0 "[ . 1 . 2]" 1
161 1 19 TYR QD 1 21 VAL MG2 4.762 2.253 7.271 4.807 4.518 5.204 . 0 0 "[ . 1 . 2]" 1
162 1 19 TYR QD 1 28 THR HA 4.487 2.189 6.785 4.937 4.657 5.306 . 0 0 "[ . 1 . 2]" 1
163 1 19 TYR QD 1 28 THR HB 4.161 2.114 6.208 4.258 3.359 5.309 . 0 0 "[ . 1 . 2]" 1
164 1 19 TYR QD 1 28 THR MG 4.397 2.169 6.626 3.394 2.207 4.809 . 0 0 "[ . 1 . 2]" 1
165 1 19 TYR QD 1 30 PHE HA 4.636 2.224 7.048 5.417 5.080 5.765 . 0 0 "[ . 1 . 2]" 1
166 1 19 TYR QE 1 21 VAL MG1 4.113 2.103 6.123 2.741 2.538 3.006 . 0 0 "[ . 1 . 2]" 1
167 1 19 TYR QE 1 21 VAL MG2 4.739 2.248 7.231 4.395 4.160 4.665 . 0 0 "[ . 1 . 2]" 1
168 1 19 TYR QE 1 28 THR MG 4.339 2.155 6.523 3.629 2.937 5.435 . 0 0 "[ . 1 . 2]" 1
169 1 19 TYR QE 2 4 PRO HA 4.553 2.204 6.901 4.991 4.445 5.720 . 0 0 "[ . 1 . 2]" 1
170 1 20 PHE H 1 21 VAL H 4.670 2.232 7.108 4.432 4.414 4.446 . 0 0 "[ . 1 . 2]" 1
171 1 20 PHE HA 1 21 VAL H 3.739 2.017 5.462 2.002 1.990 2.012 0.026 19 0 "[ . 1 . 2]" 1
172 1 20 PHE HA 1 21 VAL HB 4.246 2.134 6.359 5.442 5.369 5.521 . 0 0 "[ . 1 . 2]" 1
173 1 20 PHE HA 1 21 VAL MG2 4.797 2.261 7.333 3.235 3.014 3.521 . 0 0 "[ . 1 . 2]" 1
174 1 20 PHE HB2 1 21 VAL H 4.378 2.164 6.592 4.176 4.060 4.275 . 0 0 "[ . 1 . 2]" 1
175 1 20 PHE HB3 1 21 VAL H 4.190 2.121 6.260 3.096 2.897 3.284 . 0 0 "[ . 1 . 2]" 1
176 1 20 PHE QD 1 21 VAL H 4.579 2.211 6.948 2.200 2.186 2.208 0.025 10 0 "[ . 1 . 2]" 1
177 1 20 PHE QD 1 22 ASP HB3 4.564 2.207 6.921 4.515 4.262 4.770 . 0 0 "[ . 1 . 2]" 1
178 1 20 PHE QD 1 29 GLN HB2 4.370 2.162 6.577 3.370 2.531 4.443 . 0 0 "[ . 1 . 2]" 1
179 1 20 PHE QD 1 29 GLN HB3 4.430 2.176 6.684 3.988 2.492 5.441 . 0 0 "[ . 1 . 2]" 1
180 1 20 PHE QD 1 32 ASP HA 4.399 2.169 6.629 3.182 2.792 3.375 . 0 0 "[ . 1 . 2]" 1
181 1 20 PHE QD 1 32 ASP HB2 4.430 2.176 6.683 3.788 3.117 4.394 . 0 0 "[ . 1 . 2]" 1
182 1 20 PHE QE 1 21 VAL H 4.444 2.180 6.709 4.191 4.134 4.266 . 0 0 "[ . 1 . 2]" 1
183 1 20 PHE QE 1 31 THR MG 4.741 2.248 7.234 5.707 4.961 6.982 . 0 0 "[ . 1 . 2]" 1
184 1 20 PHE QE 1 32 ASP HA 4.208 2.125 6.292 2.120 2.097 2.156 0.028 12 0 "[ . 1 . 2]" 1
185 1 20 PHE QE 1 32 ASP HB2 4.135 2.160 6.161 2.729 2.199 3.177 . 0 0 "[ . 1 . 2]" 1
186 1 20 PHE QE 1 32 ASP HB3 4.319 2.150 6.487 4.030 3.705 4.327 . 0 0 "[ . 1 . 2]" 1
187 1 20 PHE QE 1 33 PRO HB3 4.020 2.082 5.959 5.815 5.541 5.970 0.011 12 0 "[ . 1 . 2]" 1
188 1 20 PHE QE 1 33 PRO HG3 4.438 2.178 6.698 4.499 4.211 4.813 . 0 0 "[ . 1 . 2]" 1
189 1 20 PHE HZ 1 32 ASP HA 3.773 2.025 5.522 4.276 4.117 4.397 . 0 0 "[ . 1 . 2]" 1
190 1 20 PHE HZ 1 32 ASP HB2 3.790 2.028 5.551 4.805 4.045 5.116 . 0 0 "[ . 1 . 2]" 1
191 1 20 PHE HZ 1 32 ASP HB3 4.091 2.098 6.085 5.941 5.365 6.096 0.011 15 0 "[ . 1 . 2]" 1
192 1 21 VAL H 1 22 ASP H 4.765 2.254 7.277 3.613 3.528 3.705 . 0 0 "[ . 1 . 2]" 1
193 1 21 VAL HA 1 22 ASP H 3.547 . 5.122 2.258 2.216 2.291 . 0 0 "[ . 1 . 2]" 1
194 1 21 VAL HA 1 28 THR HA 4.280 2.141 6.383 3.234 3.017 3.523 . 0 0 "[ . 1 . 2]" 1
195 1 21 VAL HA 1 29 GLN H 4.310 2.148 6.471 4.639 4.347 4.810 . 0 0 "[ . 1 . 2]" 1
196 1 21 VAL MG1 1 22 ASP H 4.429 2.176 6.683 4.223 4.187 4.268 . 0 0 "[ . 1 . 2]" 1
197 1 21 VAL MG1 1 28 THR HA 4.577 2.210 6.944 3.884 3.590 4.081 . 0 0 "[ . 1 . 2]" 1
198 1 21 VAL MG1 2 7 TYR HB2 5.348 2.388 8.308 2.384 2.356 2.490 0.032 2 0 "[ . 1 . 2]" 1
199 1 21 VAL MG1 2 7 TYR HB3 5.186 2.351 8.022 3.082 2.989 3.260 . 0 0 "[ . 1 . 2]" 1
200 1 21 VAL MG2 1 22 ASP H 4.261 2.137 6.385 4.193 4.161 4.214 . 0 0 "[ . 1 . 2]" 1
201 1 21 VAL MG2 1 23 HIS HE1 4.466 2.184 6.748 4.556 3.984 5.126 . 0 0 "[ . 1 . 2]" 1
202 1 21 VAL MG2 1 28 THR HA 4.661 2.229 7.092 5.444 5.148 5.790 . 0 0 "[ . 1 . 2]" 1
203 1 21 VAL MG2 1 28 THR MG 4.708 2.240 7.176 4.759 4.021 6.673 . 0 0 "[ . 1 . 2]" 1
204 1 22 ASP H 1 23 HIS H 4.431 2.176 6.685 4.436 4.367 4.504 . 0 0 "[ . 1 . 2]" 1
205 1 22 ASP H 1 27 THR H 4.665 2.230 7.100 2.853 2.356 3.339 . 0 0 "[ . 1 . 2]" 1
206 1 22 ASP H 1 28 THR HA 4.010 2.079 5.940 3.800 3.435 4.263 . 0 0 "[ . 1 . 2]" 1
207 1 22 ASP H 2 7 TYR QE 4.878 2.279 7.476 5.998 5.613 6.205 . 0 0 "[ . 1 . 2]" 1
208 1 22 ASP HA 1 23 HIS H 3.875 2.048 5.702 2.129 2.100 2.168 . 0 0 "[ . 1 . 2]" 1
209 1 22 ASP HB3 1 23 HIS H 4.552 2.204 6.899 4.476 4.090 4.573 . 0 0 "[ . 1 . 2]" 1
210 1 23 HIS H 1 24 ASN H 3.853 2.043 5.662 2.423 2.334 2.520 . 0 0 "[ . 1 . 2]" 1
211 1 23 HIS H 2 7 TYR QE 4.857 2.275 7.439 4.608 4.483 4.739 . 0 0 "[ . 1 . 2]" 1
212 1 23 HIS HA 1 24 ASN H 3.942 2.064 5.821 3.378 3.274 3.467 . 0 0 "[ . 1 . 2]" 1
213 1 23 HIS HB2 1 24 ASN H 4.395 2.168 6.622 3.338 3.174 3.577 . 0 0 "[ . 1 . 2]" 1
214 1 23 HIS HE1 2 9 PRO HA 5.159 2.344 7.973 2.644 2.452 2.808 . 0 0 "[ . 1 . 2]" 1
215 1 23 HIS HE1 2 10 PRO HA 4.140 2.109 6.171 6.133 6.057 6.188 0.017 19 0 "[ . 1 . 2]" 1
216 1 23 HIS HE1 2 10 PRO HB2 4.357 2.159 6.555 6.561 6.503 6.572 0.017 8 0 "[ . 1 . 2]" 1
217 1 23 HIS HE1 2 10 PRO HD2 4.522 2.197 6.847 3.683 3.471 4.093 . 0 0 "[ . 1 . 2]" 1
218 1 23 HIS HE1 2 10 PRO HD3 4.471 2.186 6.757 2.566 2.535 2.619 . 0 0 "[ . 1 . 2]" 1
219 1 23 HIS HE1 2 10 PRO HG2 4.442 2.179 6.704 5.269 4.867 5.380 . 0 0 "[ . 1 . 2]" 1
220 1 24 ASN H 1 25 ASN H 3.892 2.052 5.733 2.498 2.233 2.721 . 0 0 "[ . 1 . 2]" 1
221 1 24 ASN HA 1 25 ASN H 4.376 2.164 6.588 3.563 3.536 3.584 . 0 0 "[ . 1 . 2]" 1
222 1 24 ASN HB2 1 25 ASN H 4.062 2.091 6.032 3.347 2.134 4.076 . 0 0 "[ . 1 . 2]" 1
223 1 24 ASN HB3 1 25 ASN H 3.894 2.052 5.736 2.967 2.075 4.168 . 0 0 "[ . 1 . 2]" 1
224 1 25 ASN H 1 26 ARG H 4.759 2.252 7.265 2.242 2.234 2.250 0.018 13 0 "[ . 1 . 2]" 1
225 1 25 ASN HA 1 26 ARG H 4.182 2.119 6.245 3.372 3.319 3.449 . 0 0 "[ . 1 . 2]" 1
226 1 25 ASN HB2 1 26 ARG H 4.970 2.301 7.640 3.647 2.951 4.253 . 0 0 "[ . 1 . 2]" 1
227 1 25 ASN HB2 1 27 THR MG 4.065 2.092 6.038 4.170 2.254 6.019 . 0 0 "[ . 1 . 2]" 1
228 1 25 ASN HB3 1 26 ARG H 4.567 2.208 6.926 3.702 3.141 4.290 . 0 0 "[ . 1 . 2]" 1
229 1 25 ASN HB3 1 27 THR MG 4.095 2.099 6.090 3.782 2.370 5.722 . 0 0 "[ . 1 . 2]" 1
230 1 26 ARG HA 1 27 THR H 3.920 2.059 5.782 2.348 2.207 2.807 . 0 0 "[ . 1 . 2]" 1
231 1 26 ARG HG2 1 27 THR H 4.467 2.185 6.750 4.540 4.030 5.969 . 0 0 "[ . 1 . 2]" 1
232 1 26 ARG HG2 2 7 TYR HB2 4.959 2.298 7.619 6.431 5.261 7.624 0.005 12 0 "[ . 1 . 2]" 1
233 1 26 ARG HG2 2 7 TYR HB3 4.894 2.283 7.505 5.129 4.159 6.594 . 0 0 "[ . 1 . 2]" 1
234 1 26 ARG HG3 1 27 THR H 3.663 . 5.327 4.304 4.007 4.965 . 0 0 "[ . 1 . 2]" 1
235 1 27 THR HA 1 28 THR H 3.519 . 5.072 2.248 2.135 2.316 . 0 0 "[ . 1 . 2]" 1
236 1 27 THR MG 1 28 THR H 4.171 2.116 6.226 3.174 2.215 3.741 . 0 0 "[ . 1 . 2]" 1
237 1 28 THR H 1 29 GLN H 4.371 2.163 6.580 4.319 4.191 4.505 . 0 0 "[ . 1 . 2]" 1
238 1 28 THR HA 1 29 GLN H 3.742 2.017 5.466 2.176 2.137 2.301 . 0 0 "[ . 1 . 2]" 1
239 1 28 THR HB 1 29 GLN H 4.068 2.093 6.044 3.623 2.879 4.231 . 0 0 "[ . 1 . 2]" 1
240 1 28 THR MG 1 29 GLN H 4.462 2.184 6.741 3.517 2.499 3.995 . 0 0 "[ . 1 . 2]" 1
241 1 29 GLN HA 1 30 PHE H 4.021 2.082 5.961 2.224 2.150 2.285 . 0 0 "[ . 1 . 2]" 1
242 1 29 GLN HB2 1 31 THR H 4.182 2.119 6.246 3.850 2.446 4.788 . 0 0 "[ . 1 . 2]" 1
243 1 29 GLN HB3 1 31 THR H 3.840 2.040 5.640 2.855 2.318 4.049 . 0 0 "[ . 1 . 2]" 1
244 1 29 GLN HG3 1 31 THR H 4.038 2.086 5.990 4.721 2.083 5.617 0.002 11 0 "[ . 1 . 2]" 1
245 1 30 PHE HA 1 31 THR H 4.310 2.148 6.471 3.379 3.350 3.450 . 0 0 "[ . 1 . 2]" 1
246 1 30 PHE HB3 1 31 THR H 4.198 2.123 6.274 3.839 3.657 3.903 . 0 0 "[ . 1 . 2]" 1
247 1 30 PHE QD 2 4 PRO HB2 4.111 2.103 6.120 5.398 4.804 5.772 . 0 0 "[ . 1 . 2]" 1
248 1 30 PHE QD 2 4 PRO HB3 4.615 2.219 7.011 4.006 3.351 4.425 . 0 0 "[ . 1 . 2]" 1
249 1 30 PHE QD 2 4 PRO HD2 4.960 2.299 7.622 4.231 3.516 4.765 . 0 0 "[ . 1 . 2]" 1
250 1 30 PHE QD 2 4 PRO HD3 5.033 2.315 7.750 2.632 2.306 3.106 0.009 1 0 "[ . 1 . 2]" 1
251 1 30 PHE QD 2 4 PRO HG2 4.177 2.118 6.236 5.239 4.701 5.559 . 0 0 "[ . 1 . 2]" 1
252 1 30 PHE QD 2 4 PRO HG3 4.054 2.089 6.019 4.005 3.286 4.330 . 0 0 "[ . 1 . 2]" 1
253 1 30 PHE QD 2 5 PRO HD2 4.149 2.111 6.187 5.684 5.365 5.966 . 0 0 "[ . 1 . 2]" 1
254 1 30 PHE QE 2 2 THR HA 4.994 2.306 7.682 4.368 4.016 4.872 . 0 0 "[ . 1 . 2]" 1
255 1 30 PHE QE 2 2 THR HB 4.385 2.166 6.603 5.454 4.546 5.956 . 0 0 "[ . 1 . 2]" 1
256 1 30 PHE QE 2 2 THR MG 4.524 2.198 6.850 4.928 3.971 5.705 . 0 0 "[ . 1 . 2]" 1
257 1 30 PHE QE 2 3 PRO HA 4.374 2.163 6.584 2.692 2.188 3.012 . 0 0 "[ . 1 . 2]" 1
258 1 30 PHE QE 2 4 PRO HD3 4.579 2.211 6.948 2.704 2.227 3.268 . 0 0 "[ . 1 . 2]" 1
259 1 30 PHE QE 2 4 PRO HG2 4.225 2.129 6.321 5.219 4.607 5.885 . 0 0 "[ . 1 . 2]" 1
260 1 30 PHE QE 2 4 PRO HG3 3.657 . 5.316 4.578 3.836 5.255 . 0 0 "[ . 1 . 2]" 1
261 1 30 PHE QE 2 5 PRO HD2 4.412 2.172 6.651 4.350 4.006 4.757 . 0 0 "[ . 1 . 2]" 1
262 1 30 PHE QE 2 5 PRO HD3 4.625 2.221 7.028 3.932 3.573 4.481 . 0 0 "[ . 1 . 2]" 1
263 1 31 THR HA 1 32 ASP H 3.103 . 4.337 2.160 2.121 2.287 . 0 0 "[ . 1 . 2]" 1
264 1 31 THR HB 1 32 ASP H 3.856 2.044 5.668 4.128 3.432 4.314 . 0 0 "[ . 1 . 2]" 1
265 1 31 THR MG 1 32 ASP H 4.030 2.084 5.977 3.636 2.819 4.163 . 0 0 "[ . 1 . 2]" 1
266 1 32 ASP HA 1 33 PRO HB3 3.439 . 4.930 4.765 4.610 4.890 . 0 0 "[ . 1 . 2]" 1
267 1 32 ASP HA 1 33 PRO HD2 3.477 . 4.998 2.267 2.004 2.524 . 0 0 "[ . 1 . 2]" 1
268 1 32 ASP HA 1 33 PRO HG2 4.306 2.147 6.464 4.373 4.195 4.494 . 0 0 "[ . 1 . 2]" 1
269 1 32 ASP HA 1 33 PRO HG3 4.195 2.122 6.268 4.302 4.208 4.372 . 0 0 "[ . 1 . 2]" 1
270 1 33 PRO HG2 1 34 ARG H 4.331 2.153 6.508 2.966 2.865 3.246 . 0 0 "[ . 1 . 2]" 1
271 1 33 PRO HG3 1 34 ARG H 4.403 2.170 6.636 4.297 4.219 4.387 . 0 0 "[ . 1 . 2]" 1
272 1 34 ARG H 1 35 LEU H 3.707 2.009 5.405 2.437 2.142 2.729 . 0 0 "[ . 1 . 2]" 1
273 1 34 ARG HA 1 35 LEU H 3.829 2.038 5.621 3.484 3.358 3.608 . 0 0 "[ . 1 . 2]" 1
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