NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
551796 |
2lx5   |
18659 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lx5
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 178
_Distance_constraint_stats_list.Viol_count 331
_Distance_constraint_stats_list.Viol_total 147.678
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0223
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ARG 3.015 0.070 14 0 "[ . 1 . 2]"
1 4 ILE 2.199 0.062 20 0 "[ . 1 . 2]"
1 5 ALA 0.454 0.024 8 0 "[ . 1 . 2]"
1 6 ALA 0.057 0.002 18 0 "[ . 1 . 2]"
1 7 ARG 0.569 0.023 19 0 "[ . 1 . 2]"
1 8 GLY 0.129 0.007 18 0 "[ . 1 . 2]"
1 9 ARG 0.025 0.002 8 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 2.470 0.044 9 0 "[ . 1 . 2]"
1 12 LEU 1.215 0.044 9 0 "[ . 1 . 2]"
1 13 ARG 0.431 0.012 6 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.419 0.080 18 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 ASP H1 1 1 ASP HB2 . . 4.880 2.882 2.153 3.468 . 0 0 "[ . 1 . 2]" 1
2 1 1 ASP H1 1 1 ASP HB3 . . 5.000 3.803 3.391 4.173 . 0 0 "[ . 1 . 2]" 1
3 1 1 ASP HB2 1 2 PRO HD3 . . 6.000 4.695 4.686 4.701 . 0 0 "[ . 1 . 2]" 1
4 1 1 ASP HB2 1 4 ILE H . . 5.500 3.604 3.356 3.895 . 0 0 "[ . 1 . 2]" 1
5 1 1 ASP HB2 1 4 ILE HB . . 6.000 3.083 2.287 3.650 . 0 0 "[ . 1 . 2]" 1
6 1 1 ASP HB2 1 4 ILE HG12 . . 6.000 2.906 2.164 4.110 . 0 0 "[ . 1 . 2]" 1
7 1 1 ASP HB2 1 4 ILE HG13 . . 6.000 2.487 2.240 2.982 . 0 0 "[ . 1 . 2]" 1
8 1 1 ASP HB3 1 2 PRO HA . . 4.700 4.691 4.684 4.699 . 0 0 "[ . 1 . 2]" 1
9 1 1 ASP HB3 1 2 PRO HD3 . . 5.500 3.579 3.478 3.719 . 0 0 "[ . 1 . 2]" 1
10 1 1 ASP HB3 1 4 ILE H . . 5.500 3.060 2.480 3.378 . 0 0 "[ . 1 . 2]" 1
11 1 1 ASP HB3 1 4 ILE HB . . 6.000 3.804 2.797 4.323 . 0 0 "[ . 1 . 2]" 1
12 1 1 ASP HB3 1 4 ILE HG12 . . 6.000 3.433 2.260 4.939 . 0 0 "[ . 1 . 2]" 1
13 1 1 ASP HB3 1 4 ILE HG13 . . 6.000 3.502 2.685 4.318 . 0 0 "[ . 1 . 2]" 1
14 1 2 PRO HA 1 3 ARG H . . 3.730 3.493 3.458 3.549 . 0 0 "[ . 1 . 2]" 1
15 1 2 PRO HA 1 5 ALA H . . 4.050 3.635 3.538 3.795 . 0 0 "[ . 1 . 2]" 1
16 1 2 PRO HA 1 6 ALA H . . 6.000 4.543 4.505 4.622 . 0 0 "[ . 1 . 2]" 1
17 1 2 PRO HB2 1 3 ARG H . . 4.630 3.464 3.182 3.609 . 0 0 "[ . 1 . 2]" 1
18 1 2 PRO HD2 1 3 ARG H . . 4.260 2.676 2.647 2.713 . 0 0 "[ . 1 . 2]" 1
19 1 2 PRO HD3 1 3 ARG H . . 5.500 3.856 3.837 3.878 . 0 0 "[ . 1 . 2]" 1
20 1 2 PRO HG3 1 3 ARG H . . 4.380 4.013 3.748 4.160 . 0 0 "[ . 1 . 2]" 1
21 1 3 ARG H 1 3 ARG HB2 . . 3.270 2.493 2.483 2.662 . 0 0 "[ . 1 . 2]" 1
22 1 3 ARG H 1 3 ARG HB3 . . 3.580 3.639 3.638 3.650 0.070 14 0 "[ . 1 . 2]" 1
23 1 3 ARG H 1 3 ARG HD2 . . 5.500 4.777 3.652 5.075 . 0 0 "[ . 1 . 2]" 1
24 1 3 ARG H 1 3 ARG HD3 . . 5.500 4.949 4.562 5.143 . 0 0 "[ . 1 . 2]" 1
25 1 3 ARG H 1 3 ARG HE . . 5.100 4.779 4.313 5.107 0.007 13 0 "[ . 1 . 2]" 1
26 1 3 ARG H 1 3 ARG HG2 . . 3.360 2.884 2.455 3.286 . 0 0 "[ . 1 . 2]" 1
27 1 3 ARG H 1 4 ILE H . . 2.900 2.363 2.362 2.371 . 0 0 "[ . 1 . 2]" 1
28 1 3 ARG H 1 4 ILE HA . . 4.900 4.916 4.915 4.924 0.024 14 0 "[ . 1 . 2]" 1
29 1 3 ARG H 1 4 ILE HG13 . . 5.500 4.727 3.708 5.293 . 0 0 "[ . 1 . 2]" 1
30 1 3 ARG H 1 4 ILE MG . . 6.520 5.577 5.576 5.584 . 0 0 "[ . 1 . 2]" 1
31 1 3 ARG H 1 5 ALA H . . 4.350 4.057 4.055 4.061 . 0 0 "[ . 1 . 2]" 1
32 1 3 ARG H 1 6 ALA MB . . 5.000 5.002 5.001 5.002 0.002 18 0 "[ . 1 . 2]" 1
33 1 3 ARG HA 1 4 ILE H . . 4.000 3.296 3.296 3.297 . 0 0 "[ . 1 . 2]" 1
34 1 3 ARG HA 1 4 ILE HB . . 5.650 5.711 5.711 5.712 0.062 20 0 "[ . 1 . 2]" 1
35 1 3 ARG HA 1 6 ALA H . . 4.340 3.631 3.625 3.638 . 0 0 "[ . 1 . 2]" 1
36 1 3 ARG HB2 1 3 ARG HE . . 4.000 3.380 2.417 4.028 0.028 15 0 "[ . 1 . 2]" 1
37 1 3 ARG HB2 1 4 ILE H . . 3.730 3.468 3.467 3.478 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG HB2 1 4 ILE HA . . 4.550 4.553 4.402 4.562 0.012 12 0 "[ . 1 . 2]" 1
39 1 3 ARG HB3 1 3 ARG HE . . 4.380 2.612 1.968 4.018 . 0 0 "[ . 1 . 2]" 1
40 1 3 ARG HB3 1 4 ILE H . . 4.400 4.257 4.250 4.361 . 0 0 "[ . 1 . 2]" 1
41 1 3 ARG HE 1 3 ARG HG2 . . 4.000 3.170 2.283 3.891 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG HG2 1 4 ILE H . . 5.500 4.711 4.526 4.932 . 0 0 "[ . 1 . 2]" 1
43 1 4 ILE H 1 4 ILE HB . . 2.900 2.483 2.482 2.484 . 0 0 "[ . 1 . 2]" 1
44 1 4 ILE H 1 4 ILE HG12 . . 3.950 3.085 2.668 3.857 . 0 0 "[ . 1 . 2]" 1
45 1 4 ILE H 1 4 ILE HG13 . . 4.290 3.510 2.663 3.977 . 0 0 "[ . 1 . 2]" 1
46 1 4 ILE H 1 5 ALA H . . 2.900 2.116 2.112 2.118 . 0 0 "[ . 1 . 2]" 1
47 1 4 ILE H 1 5 ALA HA . . 4.800 4.823 4.819 4.824 0.024 8 0 "[ . 1 . 2]" 1
48 1 4 ILE H 1 5 ALA MB . . 6.520 3.821 3.754 3.888 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE H 1 6 ALA H . . 4.500 3.685 3.675 3.688 . 0 0 "[ . 1 . 2]" 1
50 1 4 ILE HA 1 5 ALA H . . 4.000 3.463 3.463 3.464 . 0 0 "[ . 1 . 2]" 1
51 1 4 ILE HA 1 6 ALA H . . 4.500 4.288 4.257 4.296 . 0 0 "[ . 1 . 2]" 1
52 1 4 ILE HA 1 7 ARG H . . 4.100 3.936 3.932 3.939 . 0 0 "[ . 1 . 2]" 1
53 1 4 ILE HB 1 5 ALA H . . 3.050 2.994 2.993 2.995 . 0 0 "[ . 1 . 2]" 1
54 1 4 ILE HG12 1 5 ALA H . . 5.500 4.663 4.414 5.126 . 0 0 "[ . 1 . 2]" 1
55 1 4 ILE HG13 1 5 ALA H . . 5.500 4.943 4.410 5.235 . 0 0 "[ . 1 . 2]" 1
56 1 4 ILE MG 1 5 ALA H . . 5.030 3.644 3.628 3.676 . 0 0 "[ . 1 . 2]" 1
57 1 4 ILE MG 1 6 ALA H . . 6.000 5.026 5.016 5.039 . 0 0 "[ . 1 . 2]" 1
58 1 4 ILE MG 1 7 ARG H . . 6.000 4.649 4.612 4.661 . 0 0 "[ . 1 . 2]" 1
59 1 5 ALA H 1 5 ALA HA . . 2.900 2.891 2.890 2.892 . 0 0 "[ . 1 . 2]" 1
60 1 5 ALA H 1 5 ALA MB . . 3.570 2.181 2.088 2.284 . 0 0 "[ . 1 . 2]" 1
61 1 5 ALA H 1 6 ALA H . . 2.960 2.353 2.350 2.354 . 0 0 "[ . 1 . 2]" 1
62 1 5 ALA HA 1 6 ALA H . . 4.000 3.493 3.488 3.495 . 0 0 "[ . 1 . 2]" 1
63 1 5 ALA HA 1 8 GLY H . . 4.200 2.903 2.900 2.906 . 0 0 "[ . 1 . 2]" 1
64 1 6 ALA H 1 6 ALA HA . . 2.900 2.787 2.786 2.790 . 0 0 "[ . 1 . 2]" 1
65 1 6 ALA H 1 6 ALA MB . . 3.600 2.023 2.022 2.025 . 0 0 "[ . 1 . 2]" 1
66 1 6 ALA HA 1 9 ARG H . . 4.000 4.001 4.000 4.002 0.002 8 0 "[ . 1 . 2]" 1
67 1 6 ALA MB 1 7 ARG H . . 4.190 2.975 2.971 2.977 . 0 0 "[ . 1 . 2]" 1
68 1 7 ARG H 1 7 ARG HA . . 2.900 2.922 2.921 2.923 0.023 19 0 "[ . 1 . 2]" 1
69 1 7 ARG H 1 7 ARG HB2 . . 2.900 2.240 2.218 2.267 . 0 0 "[ . 1 . 2]" 1
70 1 7 ARG H 1 7 ARG HB3 . . 3.300 3.184 3.122 3.244 . 0 0 "[ . 1 . 2]" 1
71 1 7 ARG H 1 7 ARG HD2 . . 4.970 4.881 4.761 4.958 . 0 0 "[ . 1 . 2]" 1
72 1 7 ARG H 1 7 ARG HG2 . . 4.540 4.428 4.317 4.514 . 0 0 "[ . 1 . 2]" 1
73 1 7 ARG H 1 8 GLY H . . 3.000 2.176 2.174 2.176 . 0 0 "[ . 1 . 2]" 1
74 1 7 ARG H 1 8 GLY HA2 . . 4.820 4.826 4.826 4.827 0.007 18 0 "[ . 1 . 2]" 1
75 1 7 ARG HA 1 8 GLY H . . 4.000 3.459 3.458 3.460 . 0 0 "[ . 1 . 2]" 1
76 1 7 ARG HB2 1 7 ARG HE . . 5.100 3.446 2.909 4.578 . 0 0 "[ . 1 . 2]" 1
77 1 7 ARG HB2 1 8 GLY H . . 3.600 3.485 3.425 3.547 . 0 0 "[ . 1 . 2]" 1
78 1 7 ARG HB2 1 8 GLY HA2 . . 5.300 5.208 5.139 5.274 . 0 0 "[ . 1 . 2]" 1
79 1 7 ARG HB3 1 7 ARG HE . . 5.500 4.040 3.750 4.646 . 0 0 "[ . 1 . 2]" 1
80 1 7 ARG HB3 1 8 GLY H . . 5.000 3.277 3.225 3.330 . 0 0 "[ . 1 . 2]" 1
81 1 7 ARG HD2 1 8 GLY H . . 5.500 5.380 5.308 5.424 . 0 0 "[ . 1 . 2]" 1
82 1 7 ARG HG2 1 8 GLY H . . 5.500 4.996 4.959 5.044 . 0 0 "[ . 1 . 2]" 1
83 1 7 ARG HG2 1 8 GLY HA2 . . 5.800 5.618 5.435 5.770 . 0 0 "[ . 1 . 2]" 1
84 1 8 GLY H 1 8 GLY HA2 . . 2.900 2.842 2.841 2.843 . 0 0 "[ . 1 . 2]" 1
85 1 8 GLY H 1 9 ARG H . . 3.140 2.586 2.585 2.590 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLY H 1 9 ARG HB2 . . 5.000 4.909 4.848 4.965 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLY H 1 9 ARG HB3 . . 5.000 4.921 4.858 4.957 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLY HA2 1 9 ARG H . . 4.000 3.499 3.496 3.506 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLY HA2 1 10 ALA H . . 5.000 4.307 4.144 4.607 . 0 0 "[ . 1 . 2]" 1
90 1 8 GLY HA2 1 11 ARG H . . 4.000 3.906 3.801 3.993 . 0 0 "[ . 1 . 2]" 1
91 1 9 ARG H 1 9 ARG HA . . 2.900 2.878 2.860 2.900 . 0 0 "[ . 1 . 2]" 1
92 1 9 ARG H 1 9 ARG HB2 . . 2.900 2.586 2.520 2.637 . 0 0 "[ . 1 . 2]" 1
93 1 9 ARG H 1 9 ARG HB3 . . 3.300 2.540 2.486 2.579 . 0 0 "[ . 1 . 2]" 1
94 1 9 ARG H 1 9 ARG HD2 . . 5.190 4.767 4.545 5.037 . 0 0 "[ . 1 . 2]" 1
95 1 9 ARG H 1 9 ARG HG2 . . 4.600 4.495 4.417 4.587 . 0 0 "[ . 1 . 2]" 1
96 1 9 ARG H 1 10 ALA H . . 2.990 2.403 2.325 2.468 . 0 0 "[ . 1 . 2]" 1
97 1 9 ARG H 1 10 ALA HA . . 5.100 5.010 4.952 5.063 . 0 0 "[ . 1 . 2]" 1
98 1 9 ARG H 1 10 ALA MB . . 5.710 4.022 3.931 4.137 . 0 0 "[ . 1 . 2]" 1
99 1 9 ARG HA 1 12 LEU H . . 4.000 3.896 3.809 3.969 . 0 0 "[ . 1 . 2]" 1
100 1 9 ARG HB3 1 10 ALA H . . 5.000 2.839 2.628 2.939 . 0 0 "[ . 1 . 2]" 1
101 1 10 ALA H 1 10 ALA HA . . 2.950 2.778 2.760 2.799 . 0 0 "[ . 1 . 2]" 1
102 1 10 ALA H 1 10 ALA MB . . 3.510 2.115 2.024 2.232 . 0 0 "[ . 1 . 2]" 1
103 1 10 ALA H 1 11 ARG H . . 2.960 2.736 2.677 2.812 . 0 0 "[ . 1 . 2]" 1
104 1 10 ALA MB 1 11 ARG H . . 5.000 2.744 2.580 2.910 . 0 0 "[ . 1 . 2]" 1
105 1 11 ARG H 1 11 ARG HA . . 2.900 2.758 2.757 2.759 . 0 0 "[ . 1 . 2]" 1
106 1 11 ARG H 1 11 ARG HB2 . . 2.960 2.347 2.346 2.347 . 0 0 "[ . 1 . 2]" 1
107 1 11 ARG H 1 11 ARG HB3 . . 2.800 2.718 2.718 2.719 . 0 0 "[ . 1 . 2]" 1
108 1 11 ARG H 1 11 ARG HD2 . . 4.970 4.690 4.524 4.935 . 0 0 "[ . 1 . 2]" 1
109 1 11 ARG H 1 11 ARG HG2 . . 4.500 4.533 4.532 4.534 0.034 19 0 "[ . 1 . 2]" 1
110 1 11 ARG H 1 11 ARG HG3 . . 4.290 4.320 4.319 4.321 0.031 17 0 "[ . 1 . 2]" 1
111 1 11 ARG H 1 12 LEU MD1 . . 6.000 5.616 5.325 5.939 . 0 0 "[ . 1 . 2]" 1
112 1 11 ARG H 1 12 LEU MD2 . . 6.000 5.677 5.061 5.979 . 0 0 "[ . 1 . 2]" 1
113 1 11 ARG H 1 13 ARG H . . 4.500 3.895 3.824 3.977 . 0 0 "[ . 1 . 2]" 1
114 1 11 ARG HA 1 11 ARG HE . . 5.500 4.627 4.087 5.477 . 0 0 "[ . 1 . 2]" 1
115 1 11 ARG HA 1 12 LEU H . . 4.000 3.563 3.562 3.564 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG HA 1 14 ALA H . . 4.000 3.883 3.711 3.968 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG HB2 1 11 ARG HE . . 5.500 3.196 2.267 4.466 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG HB2 1 12 LEU H . . 3.390 3.433 3.433 3.434 0.044 9 0 "[ . 1 . 2]" 1
119 1 11 ARG HB3 1 11 ARG HE . . 5.500 4.049 3.461 4.780 . 0 0 "[ . 1 . 2]" 1
120 1 11 ARG HB3 1 12 LEU H . . 3.360 1.910 1.909 1.911 . 0 0 "[ . 1 . 2]" 1
121 1 11 ARG HD2 1 12 LEU H . . 6.000 4.118 3.939 4.620 . 0 0 "[ . 1 . 2]" 1
122 1 11 ARG HD2 1 12 LEU MD1 . . 6.000 5.188 4.782 5.783 . 0 0 "[ . 1 . 2]" 1
123 1 11 ARG HG2 1 12 LEU H . . 3.270 3.287 3.287 3.288 0.018 9 0 "[ . 1 . 2]" 1
124 1 11 ARG HG3 1 12 LEU H . . 5.470 4.356 4.356 4.357 . 0 0 "[ . 1 . 2]" 1
125 1 12 LEU H 1 12 LEU HA . . 2.900 2.775 2.762 2.794 . 0 0 "[ . 1 . 2]" 1
126 1 12 LEU H 1 12 LEU HB2 . . 2.900 2.613 2.537 2.735 . 0 0 "[ . 1 . 2]" 1
127 1 12 LEU H 1 12 LEU MD1 . . 5.400 3.479 3.280 3.675 . 0 0 "[ . 1 . 2]" 1
128 1 12 LEU H 1 12 LEU MD2 . . 5.460 3.157 2.582 3.415 . 0 0 "[ . 1 . 2]" 1
129 1 12 LEU H 1 12 LEU HG . . 3.640 2.039 1.971 2.171 . 0 0 "[ . 1 . 2]" 1
130 1 12 LEU H 1 13 ARG H . . 3.240 2.730 2.685 2.775 . 0 0 "[ . 1 . 2]" 1
131 1 12 LEU HA 1 15 VAL HB . . 4.260 2.540 2.179 2.813 . 0 0 "[ . 1 . 2]" 1
132 1 12 LEU HA 1 15 VAL MG1 . . 5.280 3.903 3.582 4.119 . 0 0 "[ . 1 . 2]" 1
133 1 12 LEU HA 1 15 VAL MG2 . . 6.080 2.686 2.051 3.167 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU HB2 1 13 ARG H . . 3.390 2.794 2.697 2.899 . 0 0 "[ . 1 . 2]" 1
135 1 12 LEU MD1 1 13 ARG H . . 6.520 4.554 4.310 4.767 . 0 0 "[ . 1 . 2]" 1
136 1 12 LEU MD2 1 13 ARG H . . 6.520 4.704 4.493 4.864 . 0 0 "[ . 1 . 2]" 1
137 1 12 LEU HG 1 13 ARG H . . 4.420 4.262 4.090 4.389 . 0 0 "[ . 1 . 2]" 1
138 1 13 ARG H 1 13 ARG HA . . 2.950 2.789 2.787 2.791 . 0 0 "[ . 1 . 2]" 1
139 1 13 ARG H 1 13 ARG HB2 . . 2.860 2.194 2.194 2.195 . 0 0 "[ . 1 . 2]" 1
140 1 13 ARG H 1 13 ARG HB3 . . 2.900 2.911 2.910 2.912 0.012 6 0 "[ . 1 . 2]" 1
141 1 13 ARG H 1 13 ARG HD2 . . 5.220 4.781 4.697 4.878 . 0 0 "[ . 1 . 2]" 1
142 1 13 ARG H 1 13 ARG HG2 . . 4.110 4.119 4.118 4.120 0.010 19 0 "[ . 1 . 2]" 1
143 1 13 ARG H 1 13 ARG HG3 . . 4.510 4.511 4.510 4.512 0.002 16 0 "[ . 1 . 2]" 1
144 1 13 ARG HA 1 13 ARG HE . . 5.500 4.626 3.789 5.170 . 0 0 "[ . 1 . 2]" 1
145 1 13 ARG HA 1 14 ALA H . . 4.000 3.564 3.544 3.571 . 0 0 "[ . 1 . 2]" 1
146 1 13 ARG HA 1 16 GLY H . . 4.000 3.663 3.487 3.934 . 0 0 "[ . 1 . 2]" 1
147 1 13 ARG HE 1 14 ALA MB . . 5.500 4.599 3.364 5.487 . 0 0 "[ . 1 . 2]" 1
148 1 14 ALA H 1 14 ALA HA . . 2.990 2.809 2.777 2.878 . 0 0 "[ . 1 . 2]" 1
149 1 14 ALA H 1 15 VAL H . . 2.930 2.702 2.488 2.856 . 0 0 "[ . 1 . 2]" 1
150 1 14 ALA H 1 15 VAL MG1 . . 6.490 5.941 5.744 6.040 . 0 0 "[ . 1 . 2]" 1
151 1 14 ALA H 1 15 VAL MG2 . . 6.520 4.139 3.998 4.293 . 0 0 "[ . 1 . 2]" 1
152 1 14 ALA HA 1 17 ALA H . . 4.000 3.479 3.203 3.718 . 0 0 "[ . 1 . 2]" 1
153 1 14 ALA HA 1 17 ALA MB . . 6.210 2.892 2.323 3.523 . 0 0 "[ . 1 . 2]" 1
154 1 14 ALA MB 1 15 VAL H . . 4.350 2.575 2.371 2.748 . 0 0 "[ . 1 . 2]" 1
155 1 15 VAL H 1 15 VAL HA . . 3.020 2.803 2.774 2.837 . 0 0 "[ . 1 . 2]" 1
156 1 15 VAL H 1 15 VAL HB . . 3.110 2.578 2.541 2.671 . 0 0 "[ . 1 . 2]" 1
157 1 15 VAL H 1 15 VAL MG1 . . 4.500 3.764 3.758 3.767 . 0 0 "[ . 1 . 2]" 1
158 1 15 VAL H 1 15 VAL MG2 . . 4.690 2.202 2.040 2.293 . 0 0 "[ . 1 . 2]" 1
159 1 15 VAL H 1 16 GLY H . . 2.800 2.673 2.571 2.750 . 0 0 "[ . 1 . 2]" 1
160 1 15 VAL HA 1 16 GLY H . . 4.000 3.503 3.466 3.562 . 0 0 "[ . 1 . 2]" 1
161 1 15 VAL HA 1 18 ILE H . . 4.570 3.863 3.211 4.474 . 0 0 "[ . 1 . 2]" 1
162 1 15 VAL HA 1 18 ILE MD . . 6.000 3.983 2.243 5.815 . 0 0 "[ . 1 . 2]" 1
163 1 15 VAL HB 1 16 GLY H . . 3.700 2.813 2.439 2.993 . 0 0 "[ . 1 . 2]" 1
164 1 15 VAL MG1 1 16 GLY H . . 5.710 3.648 3.349 3.786 . 0 0 "[ . 1 . 2]" 1
165 1 15 VAL MG2 1 16 GLY H . . 5.870 3.884 3.759 3.968 . 0 0 "[ . 1 . 2]" 1
166 1 16 GLY H 1 16 GLY HA2 . . 2.930 2.844 2.771 2.916 . 0 0 "[ . 1 . 2]" 1
167 1 16 GLY H 1 16 GLY HA3 . . 2.900 2.306 2.294 2.349 . 0 0 "[ . 1 . 2]" 1
168 1 16 GLY HA2 1 17 ALA H . . 4.000 3.490 3.443 3.567 . 0 0 "[ . 1 . 2]" 1
169 1 16 GLY HA3 1 17 ALA H . . 3.270 2.942 2.652 3.059 . 0 0 "[ . 1 . 2]" 1
170 1 17 ALA H 1 17 ALA HA . . 3.140 2.841 2.763 2.929 . 0 0 "[ . 1 . 2]" 1
171 1 17 ALA H 1 18 ILE H . . 3.110 2.723 2.256 3.075 . 0 0 "[ . 1 . 2]" 1
172 1 17 ALA H 1 18 ILE HG13 . . 5.500 4.723 4.087 5.463 . 0 0 "[ . 1 . 2]" 1
173 1 17 ALA HA 1 18 ILE H . . 4.000 3.546 3.473 3.572 . 0 0 "[ . 1 . 2]" 1
174 1 17 ALA MB 1 18 ILE H . . 5.460 2.406 1.953 2.870 . 0 0 "[ . 1 . 2]" 1
175 1 18 ILE H 1 18 ILE HA . . 3.080 2.778 2.280 2.942 . 0 0 "[ . 1 . 2]" 1
176 1 18 ILE H 1 18 ILE HB . . 3.520 2.964 2.508 3.600 0.080 18 0 "[ . 1 . 2]" 1
177 1 18 ILE H 1 18 ILE HG12 . . 5.190 3.200 1.977 4.219 . 0 0 "[ . 1 . 2]" 1
178 1 18 ILE H 1 18 ILE HG13 . . 5.100 2.716 2.113 4.255 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 6:11:48 PM GMT (wattos1)