NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612942 |
5mxl   |
34090 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5mxl
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 210
_Distance_constraint_stats_list.Viol_count 243
_Distance_constraint_stats_list.Viol_total 240.963
_Distance_constraint_stats_list.Viol_max 0.265
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0496
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LEU 4.472 0.265 5 0 "[ . 1 . 2]"
1 3 PHE 6.876 0.265 5 0 "[ . 1 . 2]"
1 4 ASP 4.718 0.204 12 0 "[ . 1 . 2]"
1 5 ILE 2.585 0.089 18 0 "[ . 1 . 2]"
1 6 VAL 2.349 0.122 2 0 "[ . 1 . 2]"
1 7 LYS 0.770 0.082 2 0 "[ . 1 . 2]"
1 8 LYS 0.142 0.030 14 0 "[ . 1 . 2]"
1 9 VAL 0.483 0.053 17 0 "[ . 1 . 2]"
1 10 VAL 0.782 0.053 17 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.381 0.027 11 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 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 GLY QA 1 2 LEU H . . 2.910 2.292 2.209 2.310 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 LEU HB3 . . 4.880 4.185 4.110 4.574 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 3 PHE H . . 4.750 3.644 3.226 3.710 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 4 ASP H . . 5.340 4.467 3.864 4.598 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY HA2 1 2 LEU H . . 3.490 2.577 2.280 2.743 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLY HA3 1 2 LEU H . . 3.490 2.610 2.446 2.973 . 0 0 "[ . 1 . 2]" 1
7 1 2 LEU H 1 2 LEU HB3 . . 3.010 2.827 2.323 3.100 0.090 18 0 "[ . 1 . 2]" 1
8 1 2 LEU H 1 2 LEU MD1 . . 5.490 4.378 4.200 4.407 . 0 0 "[ . 1 . 2]" 1
9 1 2 LEU H 1 2 LEU QD . . 4.630 3.991 3.746 4.047 . 0 0 "[ . 1 . 2]" 1
10 1 2 LEU H 1 2 LEU MD2 . . 5.490 4.611 4.194 4.723 . 0 0 "[ . 1 . 2]" 1
11 1 2 LEU H 1 3 PHE H . . 3.600 1.788 1.717 2.292 . 0 0 "[ . 1 . 2]" 1
12 1 2 LEU H 1 3 PHE HA . . 5.500 4.440 4.381 4.875 . 0 0 "[ . 1 . 2]" 1
13 1 2 LEU H 1 3 PHE HB3 . . 5.500 5.225 5.152 5.765 0.265 5 0 "[ . 1 . 2]" 1
14 1 2 LEU H 1 3 PHE QD . . 5.500 3.696 3.558 3.912 . 0 0 "[ . 1 . 2]" 1
15 1 2 LEU H 1 4 ASP H . . 5.080 3.618 3.505 4.403 . 0 0 "[ . 1 . 2]" 1
16 1 2 LEU H 1 5 ILE H . . 5.500 5.003 4.916 5.526 0.026 5 0 "[ . 1 . 2]" 1
17 1 2 LEU H 1 5 ILE MD . . 5.500 5.508 5.452 5.537 0.037 17 0 "[ . 1 . 2]" 1
18 1 2 LEU HA 1 2 LEU QD . . 3.810 2.071 1.941 2.094 . 0 0 "[ . 1 . 2]" 1
19 1 2 LEU HA 1 4 ASP H . . 4.940 4.057 3.990 4.158 . 0 0 "[ . 1 . 2]" 1
20 1 2 LEU HA 1 4 ASP QB . . 5.340 4.834 4.662 5.047 . 0 0 "[ . 1 . 2]" 1
21 1 2 LEU HA 1 5 ILE H . . 4.200 3.663 3.609 3.747 . 0 0 "[ . 1 . 2]" 1
22 1 2 LEU HA 1 5 ILE HB . . 3.780 3.545 3.428 3.741 . 0 0 "[ . 1 . 2]" 1
23 1 2 LEU HA 1 5 ILE MD . . 3.630 3.008 2.948 3.048 . 0 0 "[ . 1 . 2]" 1
24 1 2 LEU HA 1 5 ILE HG12 . . 5.380 5.347 5.165 5.417 0.037 9 0 "[ . 1 . 2]" 1
25 1 2 LEU HA 1 6 VAL H . . 5.040 4.790 4.677 5.023 . 0 0 "[ . 1 . 2]" 1
26 1 2 LEU HA 1 6 VAL MG2 . . 4.660 4.360 4.237 4.515 . 0 0 "[ . 1 . 2]" 1
27 1 2 LEU HB2 1 3 PHE QD . . 5.460 5.476 5.266 5.510 0.050 20 0 "[ . 1 . 2]" 1
28 1 2 LEU HB2 1 6 VAL MG2 . . 5.060 4.806 4.675 5.079 0.019 19 0 "[ . 1 . 2]" 1
29 1 2 LEU HB3 1 2 LEU QD . . 2.860 2.289 2.270 2.377 . 0 0 "[ . 1 . 2]" 1
30 1 2 LEU HB3 1 3 PHE H . . 3.410 2.926 2.883 2.990 . 0 0 "[ . 1 . 2]" 1
31 1 2 LEU HB3 1 3 PHE HA . . 4.380 4.224 3.944 4.289 . 0 0 "[ . 1 . 2]" 1
32 1 2 LEU HB3 1 3 PHE QD . . 5.500 3.991 3.909 4.345 . 0 0 "[ . 1 . 2]" 1
33 1 2 LEU HB3 1 4 ASP H . . 5.250 5.303 5.221 5.374 0.124 2 0 "[ . 1 . 2]" 1
34 1 2 LEU HB3 1 6 VAL H . . 5.500 5.561 5.331 5.622 0.122 2 0 "[ . 1 . 2]" 1
35 1 2 LEU QD 1 3 PHE H . . 4.680 4.073 3.863 4.114 . 0 0 "[ . 1 . 2]" 1
36 1 2 LEU QD 1 3 PHE QD . . 4.960 4.702 4.609 4.857 . 0 0 "[ . 1 . 2]" 1
37 1 2 LEU MD1 1 3 PHE H . . 5.500 4.515 4.060 4.585 . 0 0 "[ . 1 . 2]" 1
38 1 2 LEU MD2 1 3 PHE H . . 5.500 4.651 4.585 4.861 . 0 0 "[ . 1 . 2]" 1
39 1 2 LEU HG 1 6 VAL MG2 . . 4.940 2.444 2.116 4.435 . 0 0 "[ . 1 . 2]" 1
40 1 3 PHE H 1 3 PHE HB3 . . 3.540 3.557 3.521 3.569 0.029 12 0 "[ . 1 . 2]" 1
41 1 3 PHE H 1 3 PHE QD . . 4.710 2.639 2.533 2.855 . 0 0 "[ . 1 . 2]" 1
42 1 3 PHE H 1 4 ASP H . . 3.290 2.952 2.916 2.982 . 0 0 "[ . 1 . 2]" 1
43 1 3 PHE H 1 4 ASP QB . . 5.340 4.993 4.662 5.058 . 0 0 "[ . 1 . 2]" 1
44 1 3 PHE H 1 5 ILE H . . 4.960 4.422 4.375 4.469 . 0 0 "[ . 1 . 2]" 1
45 1 3 PHE H 1 5 ILE HB . . 5.500 5.559 5.505 5.589 0.089 18 0 "[ . 1 . 2]" 1
46 1 3 PHE H 1 6 VAL H . . 5.500 4.826 4.736 4.928 . 0 0 "[ . 1 . 2]" 1
47 1 3 PHE H 1 6 VAL HB . . 5.500 5.121 5.045 5.276 . 0 0 "[ . 1 . 2]" 1
48 1 3 PHE H 1 6 VAL MG2 . . 5.190 4.248 4.036 4.536 . 0 0 "[ . 1 . 2]" 1
49 1 3 PHE HA 1 3 PHE QD . . 3.660 2.727 2.525 2.849 . 0 0 "[ . 1 . 2]" 1
50 1 3 PHE HA 1 5 ILE H . . 5.080 3.860 3.770 3.939 . 0 0 "[ . 1 . 2]" 1
51 1 3 PHE HA 1 6 VAL H . . 3.820 2.884 2.700 3.102 . 0 0 "[ . 1 . 2]" 1
52 1 3 PHE HA 1 6 VAL HA . . 5.400 4.920 4.715 5.213 . 0 0 "[ . 1 . 2]" 1
53 1 3 PHE HA 1 6 VAL HB . . 3.360 2.367 2.259 2.547 . 0 0 "[ . 1 . 2]" 1
54 1 3 PHE HA 1 6 VAL MG1 . . 4.400 3.847 3.754 4.038 . 0 0 "[ . 1 . 2]" 1
55 1 3 PHE HA 1 6 VAL MG2 . . 3.570 2.579 2.276 2.978 . 0 0 "[ . 1 . 2]" 1
56 1 3 PHE HA 1 7 LYS H . . 4.120 3.846 3.669 4.076 . 0 0 "[ . 1 . 2]" 1
57 1 3 PHE HB2 1 4 ASP H . . 4.340 3.329 3.161 3.476 . 0 0 "[ . 1 . 2]" 1
58 1 3 PHE HB3 1 4 ASP H . . 4.000 3.764 3.621 3.840 . 0 0 "[ . 1 . 2]" 1
59 1 3 PHE HB3 1 6 VAL HB . . 5.500 4.009 3.753 4.390 . 0 0 "[ . 1 . 2]" 1
60 1 3 PHE HB3 1 6 VAL MG2 . . 5.500 4.667 4.339 5.102 . 0 0 "[ . 1 . 2]" 1
61 1 3 PHE HB3 1 7 LYS QD . . 5.500 3.798 2.532 4.974 . 0 0 "[ . 1 . 2]" 1
62 1 3 PHE QD 1 4 ASP H . . 4.910 4.804 4.726 4.879 . 0 0 "[ . 1 . 2]" 1
63 1 3 PHE QD 1 4 ASP HA . . 5.500 5.678 5.610 5.704 0.204 12 0 "[ . 1 . 2]" 1
64 1 3 PHE QD 1 6 VAL H . . 5.500 4.838 4.513 5.203 . 0 0 "[ . 1 . 2]" 1
65 1 3 PHE QD 1 6 VAL HB . . 4.720 2.980 2.525 3.616 . 0 0 "[ . 1 . 2]" 1
66 1 3 PHE QD 1 6 VAL MG1 . . 4.380 3.377 3.047 4.050 . 0 0 "[ . 1 . 2]" 1
67 1 3 PHE QD 1 6 VAL MG2 . . 4.510 3.673 3.070 4.347 . 0 0 "[ . 1 . 2]" 1
68 1 3 PHE QD 1 7 LYS QB . . 5.500 5.318 4.904 5.526 0.026 17 0 "[ . 1 . 2]" 1
69 1 3 PHE QD 1 7 LYS QD . . 5.500 3.713 3.207 4.083 . 0 0 "[ . 1 . 2]" 1
70 1 3 PHE QE 1 6 VAL MG1 . . 5.040 3.547 2.974 4.388 . 0 0 "[ . 1 . 2]" 1
71 1 3 PHE QE 1 6 VAL MG2 . . 5.250 4.127 3.643 4.888 . 0 0 "[ . 1 . 2]" 1
72 1 3 PHE QE 1 7 LYS QD . . 5.270 5.258 5.022 5.352 0.082 2 0 "[ . 1 . 2]" 1
73 1 4 ASP H 1 4 ASP QB . . 3.150 2.383 2.198 2.421 . 0 0 "[ . 1 . 2]" 1
74 1 4 ASP H 1 4 ASP HB3 . . 3.700 3.553 2.497 3.618 . 0 0 "[ . 1 . 2]" 1
75 1 4 ASP H 1 5 ILE H . . 3.480 2.638 2.546 2.698 . 0 0 "[ . 1 . 2]" 1
76 1 4 ASP H 1 5 ILE HA . . 5.500 5.307 5.237 5.356 . 0 0 "[ . 1 . 2]" 1
77 1 4 ASP H 1 5 ILE HB . . 5.500 4.745 4.656 4.834 . 0 0 "[ . 1 . 2]" 1
78 1 4 ASP H 1 5 ILE HG13 . . 5.430 4.308 4.209 4.411 . 0 0 "[ . 1 . 2]" 1
79 1 4 ASP H 1 6 VAL H . . 4.900 4.078 3.982 4.198 . 0 0 "[ . 1 . 2]" 1
80 1 4 ASP H 1 6 VAL HB . . 5.500 5.223 5.153 5.370 . 0 0 "[ . 1 . 2]" 1
81 1 4 ASP HA 1 5 ILE HA . . 5.500 4.727 4.671 4.765 . 0 0 "[ . 1 . 2]" 1
82 1 4 ASP HA 1 7 LYS H . . 4.150 3.555 3.344 3.690 . 0 0 "[ . 1 . 2]" 1
83 1 4 ASP HA 1 7 LYS QB . . 3.830 2.959 2.490 3.432 . 0 0 "[ . 1 . 2]" 1
84 1 4 ASP HA 1 7 LYS HG2 . . 5.500 4.409 3.613 5.422 . 0 0 "[ . 1 . 2]" 1
85 1 4 ASP HA 1 7 LYS HG3 . . 5.500 4.289 3.861 5.532 0.032 12 0 "[ . 1 . 2]" 1
86 1 4 ASP HA 1 8 LYS H . . 5.060 4.591 4.313 5.075 0.015 10 0 "[ . 1 . 2]" 1
87 1 4 ASP QB 1 5 ILE H . . 3.650 2.936 2.775 3.137 . 0 0 "[ . 1 . 2]" 1
88 1 4 ASP QB 1 5 ILE HA . . 5.340 4.139 4.089 4.298 . 0 0 "[ . 1 . 2]" 1
89 1 4 ASP QB 1 5 ILE HB . . 5.340 4.809 4.682 5.047 . 0 0 "[ . 1 . 2]" 1
90 1 4 ASP QB 1 5 ILE HG12 . . 5.340 4.468 4.373 4.558 . 0 0 "[ . 1 . 2]" 1
91 1 4 ASP HB3 1 5 ILE H . . 4.250 3.834 2.833 3.943 . 0 0 "[ . 1 . 2]" 1
92 1 5 ILE H 1 5 ILE HB . . 3.180 2.336 2.313 2.367 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE H 1 5 ILE MD . . 4.370 3.593 3.536 3.668 . 0 0 "[ . 1 . 2]" 1
94 1 5 ILE H 1 5 ILE HG12 . . 4.140 3.642 3.579 3.729 . 0 0 "[ . 1 . 2]" 1
95 1 5 ILE H 1 5 ILE HG13 . . 3.570 2.370 2.332 2.453 . 0 0 "[ . 1 . 2]" 1
96 1 5 ILE H 1 5 ILE MG . . 3.930 3.726 3.713 3.740 . 0 0 "[ . 1 . 2]" 1
97 1 5 ILE H 1 6 VAL H . . 3.270 2.408 2.380 2.428 . 0 0 "[ . 1 . 2]" 1
98 1 5 ILE H 1 6 VAL HA . . 5.450 5.073 5.045 5.100 . 0 0 "[ . 1 . 2]" 1
99 1 5 ILE H 1 6 VAL MG2 . . 4.420 3.776 3.632 3.884 . 0 0 "[ . 1 . 2]" 1
100 1 5 ILE HA 1 5 ILE MD . . 3.970 3.826 3.809 3.851 . 0 0 "[ . 1 . 2]" 1
101 1 5 ILE HA 1 5 ILE HG12 . . 3.780 2.482 2.446 2.536 . 0 0 "[ . 1 . 2]" 1
102 1 5 ILE HA 1 5 ILE MG . . 3.170 2.466 2.445 2.487 . 0 0 "[ . 1 . 2]" 1
103 1 5 ILE HA 1 6 VAL HA . . 5.500 4.808 4.774 4.842 . 0 0 "[ . 1 . 2]" 1
104 1 5 ILE HA 1 8 LYS H . . 4.020 3.384 3.125 3.760 . 0 0 "[ . 1 . 2]" 1
105 1 5 ILE HA 1 8 LYS QB . . 3.740 2.760 2.247 3.386 . 0 0 "[ . 1 . 2]" 1
106 1 5 ILE HA 1 8 LYS QE . . 5.500 3.666 2.156 5.309 . 0 0 "[ . 1 . 2]" 1
107 1 5 ILE HA 1 9 VAL H . . 4.880 4.550 4.214 4.911 0.031 2 0 "[ . 1 . 2]" 1
108 1 5 ILE HB 1 5 ILE MD . . 3.620 2.377 2.357 2.418 . 0 0 "[ . 1 . 2]" 1
109 1 5 ILE HB 1 6 VAL H . . 3.080 2.739 2.664 2.830 . 0 0 "[ . 1 . 2]" 1
110 1 5 ILE HG12 1 6 VAL H . . 5.500 5.083 5.011 5.143 . 0 0 "[ . 1 . 2]" 1
111 1 5 ILE HG12 1 8 LYS QE . . 5.500 4.513 3.511 5.530 0.030 14 0 "[ . 1 . 2]" 1
112 1 5 ILE MG 1 6 VAL H . . 3.410 3.446 3.406 3.464 0.054 17 0 "[ . 1 . 2]" 1
113 1 5 ILE MG 1 8 LYS H . . 5.270 4.441 4.252 4.622 . 0 0 "[ . 1 . 2]" 1
114 1 6 VAL H 1 6 VAL HB . . 3.400 2.472 2.412 2.534 . 0 0 "[ . 1 . 2]" 1
115 1 6 VAL H 1 6 VAL MG2 . . 2.890 2.071 1.999 2.135 . 0 0 "[ . 1 . 2]" 1
116 1 6 VAL HA 1 6 VAL MG1 . . 3.130 2.402 2.347 2.451 . 0 0 "[ . 1 . 2]" 1
117 1 6 VAL HA 1 6 VAL MG2 . . 3.040 2.369 2.329 2.408 . 0 0 "[ . 1 . 2]" 1
118 1 6 VAL HA 1 7 LYS HA . . 5.500 4.784 4.762 4.836 . 0 0 "[ . 1 . 2]" 1
119 1 6 VAL HA 1 7 LYS QB . . 5.500 5.443 5.314 5.515 0.015 18 0 "[ . 1 . 2]" 1
120 1 6 VAL HA 1 8 LYS H . . 5.060 4.091 3.955 4.185 . 0 0 "[ . 1 . 2]" 1
121 1 6 VAL HA 1 9 VAL H . . 4.010 3.294 3.108 3.430 . 0 0 "[ . 1 . 2]" 1
122 1 6 VAL HA 1 9 VAL HB . . 3.630 2.783 2.565 2.945 . 0 0 "[ . 1 . 2]" 1
123 1 6 VAL HA 1 10 VAL H . . 4.400 4.210 4.048 4.400 . 14 0 "[ . 1 . 2]" 1
124 1 6 VAL HB 1 7 LYS H . . 3.370 2.705 2.621 2.818 . 0 0 "[ . 1 . 2]" 1
125 1 6 VAL HB 1 7 LYS HG3 . . 5.500 4.627 3.292 5.543 0.043 17 0 "[ . 1 . 2]" 1
126 1 6 VAL MG1 1 7 LYS H . . 3.740 3.532 3.412 3.671 . 0 0 "[ . 1 . 2]" 1
127 1 6 VAL MG1 1 8 LYS H . . 5.500 4.895 4.841 4.944 . 0 0 "[ . 1 . 2]" 1
128 1 6 VAL MG2 1 7 LYS H . . 4.080 3.911 3.869 3.955 . 0 0 "[ . 1 . 2]" 1
129 1 7 LYS H 1 7 LYS QB . . 3.030 2.317 2.119 2.431 . 0 0 "[ . 1 . 2]" 1
130 1 7 LYS H 1 7 LYS QE . . 5.500 4.467 3.244 5.085 . 0 0 "[ . 1 . 2]" 1
131 1 7 LYS H 1 7 LYS HG3 . . 4.120 3.283 2.341 4.057 . 0 0 "[ . 1 . 2]" 1
132 1 7 LYS H 1 8 LYS H . . 3.520 2.648 2.595 2.728 . 0 0 "[ . 1 . 2]" 1
133 1 7 LYS H 1 9 VAL H . . 4.980 4.152 4.104 4.186 . 0 0 "[ . 1 . 2]" 1
134 1 7 LYS HA 1 7 LYS QE . . 5.440 3.779 2.643 4.338 . 0 0 "[ . 1 . 2]" 1
135 1 7 LYS HA 1 7 LYS HG2 . . 4.010 2.930 2.394 3.585 . 0 0 "[ . 1 . 2]" 1
136 1 7 LYS HA 1 9 VAL H . . 5.360 4.180 4.086 4.277 . 0 0 "[ . 1 . 2]" 1
137 1 7 LYS HA 1 10 VAL H . . 4.030 3.304 3.188 3.416 . 0 0 "[ . 1 . 2]" 1
138 1 7 LYS HA 1 10 VAL HB . . 3.490 2.546 2.424 2.684 . 0 0 "[ . 1 . 2]" 1
139 1 7 LYS HA 1 10 VAL MG2 . . 3.640 3.306 3.141 3.471 . 0 0 "[ . 1 . 2]" 1
140 1 7 LYS QB 1 8 LYS H . . 3.560 2.937 2.878 3.035 . 0 0 "[ . 1 . 2]" 1
141 1 7 LYS QB 1 8 LYS HA . . 4.520 4.057 4.007 4.127 . 0 0 "[ . 1 . 2]" 1
142 1 7 LYS QB 1 9 VAL H . . 5.500 4.791 4.749 4.816 . 0 0 "[ . 1 . 2]" 1
143 1 7 LYS QB 1 10 VAL H . . 5.500 4.889 4.767 5.016 . 0 0 "[ . 1 . 2]" 1
144 1 7 LYS QB 1 10 VAL MG2 . . 5.500 4.947 4.768 5.142 . 0 0 "[ . 1 . 2]" 1
145 1 8 LYS H 1 8 LYS QB . . 3.240 2.273 2.194 2.532 . 0 0 "[ . 1 . 2]" 1
146 1 8 LYS H 1 8 LYS HG2 . . 5.060 4.103 2.080 4.429 . 0 0 "[ . 1 . 2]" 1
147 1 8 LYS H 1 8 LYS QG . . 4.280 3.527 2.067 3.966 . 0 0 "[ . 1 . 2]" 1
148 1 8 LYS H 1 8 LYS HG3 . . 5.060 4.013 2.183 4.521 . 0 0 "[ . 1 . 2]" 1
149 1 8 LYS H 1 9 VAL H . . 3.240 2.506 2.433 2.556 . 0 0 "[ . 1 . 2]" 1
150 1 8 LYS H 1 9 VAL HA . . 5.500 5.188 5.123 5.225 . 0 0 "[ . 1 . 2]" 1
151 1 8 LYS H 1 9 VAL MG2 . . 4.440 4.078 3.868 4.229 . 0 0 "[ . 1 . 2]" 1
152 1 8 LYS H 1 10 VAL H . . 4.870 4.039 4.011 4.110 . 0 0 "[ . 1 . 2]" 1
153 1 8 LYS HA 1 8 LYS QD . . 4.840 3.990 2.129 4.256 . 0 0 "[ . 1 . 2]" 1
154 1 8 LYS HA 1 8 LYS QE . . 5.500 4.371 3.824 5.083 . 0 0 "[ . 1 . 2]" 1
155 1 8 LYS HA 1 10 VAL H . . 5.350 4.452 4.349 4.596 . 0 0 "[ . 1 . 2]" 1
156 1 8 LYS HA 1 11 GLY H . . 4.240 3.280 3.170 3.392 . 0 0 "[ . 1 . 2]" 1
157 1 8 LYS HA 1 12 ALA H . . 5.280 4.666 4.534 4.797 . 0 0 "[ . 1 . 2]" 1
158 1 8 LYS QB 1 9 VAL H . . 3.630 2.826 2.786 2.872 . 0 0 "[ . 1 . 2]" 1
159 1 8 LYS QB 1 9 VAL HA . . 5.500 4.276 3.966 4.393 . 0 0 "[ . 1 . 2]" 1
160 1 8 LYS QD 1 9 VAL H . . 5.500 4.984 4.729 5.510 0.010 3 0 "[ . 1 . 2]" 1
161 1 8 LYS QD 1 9 VAL MG2 . . 5.500 4.598 4.164 5.518 0.018 17 0 "[ . 1 . 2]" 1
162 1 8 LYS QG 1 9 VAL H . . 5.340 3.859 3.732 4.208 . 0 0 "[ . 1 . 2]" 1
163 1 9 VAL H 1 9 VAL HB . . 3.120 2.320 2.267 2.391 . 0 0 "[ . 1 . 2]" 1
164 1 9 VAL H 1 9 VAL MG1 . . 3.960 3.721 3.704 3.741 . 0 0 "[ . 1 . 2]" 1
165 1 9 VAL H 1 9 VAL MG2 . . 3.010 2.351 2.250 2.436 . 0 0 "[ . 1 . 2]" 1
166 1 9 VAL H 1 10 VAL H . . 3.340 2.496 2.468 2.530 . 0 0 "[ . 1 . 2]" 1
167 1 9 VAL H 1 11 GLY H . . 5.300 3.751 3.691 3.786 . 0 0 "[ . 1 . 2]" 1
168 1 9 VAL H 1 12 ALA H . . 5.500 4.964 4.921 5.016 . 0 0 "[ . 1 . 2]" 1
169 1 9 VAL HA 1 9 VAL MG1 . . 3.140 2.483 2.420 2.521 . 0 0 "[ . 1 . 2]" 1
170 1 9 VAL HA 1 9 VAL MG2 . . 3.010 2.311 2.279 2.346 . 0 0 "[ . 1 . 2]" 1
171 1 9 VAL HA 1 12 ALA H . . 3.970 3.517 3.451 3.599 . 0 0 "[ . 1 . 2]" 1
172 1 9 VAL HB 1 10 VAL H . . 3.390 2.689 2.607 2.768 . 0 0 "[ . 1 . 2]" 1
173 1 9 VAL MG1 1 10 VAL H . . 3.350 3.369 3.333 3.403 0.053 17 0 "[ . 1 . 2]" 1
174 1 9 VAL MG2 1 12 ALA MB . . 5.450 4.449 4.292 4.602 . 0 0 "[ . 1 . 2]" 1
175 1 10 VAL H 1 10 VAL HB . . 3.160 2.336 2.307 2.376 . 0 0 "[ . 1 . 2]" 1
176 1 10 VAL H 1 10 VAL MG2 . . 2.960 2.273 2.197 2.319 . 0 0 "[ . 1 . 2]" 1
177 1 10 VAL H 1 11 GLY H . . 3.360 2.533 2.512 2.565 . 0 0 "[ . 1 . 2]" 1
178 1 10 VAL H 1 11 GLY QA . . 4.720 4.424 4.403 4.449 . 0 0 "[ . 1 . 2]" 1
179 1 10 VAL H 1 12 ALA H . . 5.100 4.167 4.127 4.202 . 0 0 "[ . 1 . 2]" 1
180 1 10 VAL HA 1 10 VAL MG1 . . 3.400 2.478 2.447 2.502 . 0 0 "[ . 1 . 2]" 1
181 1 10 VAL HA 1 10 VAL MG2 . . 3.250 2.313 2.297 2.336 . 0 0 "[ . 1 . 2]" 1
182 1 10 VAL HA 1 13 LEU H . . 4.110 3.277 3.254 3.305 . 0 0 "[ . 1 . 2]" 1
183 1 10 VAL HA 1 13 LEU QB . . 4.250 3.089 3.040 3.158 . 0 0 "[ . 1 . 2]" 1
184 1 10 VAL HA 1 13 LEU MD1 . . 3.100 2.417 2.377 2.462 . 0 0 "[ . 1 . 2]" 1
185 1 10 VAL HA 1 13 LEU MD2 . . 4.320 4.339 4.327 4.347 0.027 11 0 "[ . 1 . 2]" 1
186 1 10 VAL HA 1 13 LEU HG . . 3.950 2.795 2.779 2.810 . 0 0 "[ . 1 . 2]" 1
187 1 10 VAL HB 1 11 GLY H . . 3.640 2.931 2.910 2.956 . 0 0 "[ . 1 . 2]" 1
188 1 10 VAL HB 1 11 GLY QA . . 5.450 4.131 4.097 4.147 . 0 0 "[ . 1 . 2]" 1
189 1 10 VAL HB 1 12 ALA H . . 5.500 5.151 5.130 5.167 . 0 0 "[ . 1 . 2]" 1
190 1 10 VAL MG1 1 11 GLY H . . 4.050 3.597 3.565 3.643 . 0 0 "[ . 1 . 2]" 1
191 1 10 VAL MG2 1 11 GLY H . . 4.380 4.050 4.024 4.071 . 0 0 "[ . 1 . 2]" 1
192 1 11 GLY H 1 11 GLY QA . . 2.710 2.197 2.194 2.205 . 0 0 "[ . 1 . 2]" 1
193 1 11 GLY H 1 12 ALA H . . 3.450 2.685 2.667 2.701 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLY H 1 12 ALA MB . . 4.910 4.331 4.309 4.342 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLY QA 1 12 ALA H . . 3.310 2.850 2.839 2.862 . 0 0 "[ . 1 . 2]" 1
196 1 11 GLY QA 1 12 ALA HA . . 5.010 4.100 4.092 4.111 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLY QA 1 12 ALA MB . . 4.950 4.186 4.178 4.196 . 0 0 "[ . 1 . 2]" 1
198 1 11 GLY QA 1 13 LEU H . . 4.540 3.750 3.715 3.782 . 0 0 "[ . 1 . 2]" 1
199 1 12 ALA H 1 12 ALA MB . . 2.970 2.203 2.191 2.211 . 0 0 "[ . 1 . 2]" 1
200 1 12 ALA H 1 13 LEU H . . 3.330 2.533 2.507 2.561 . 0 0 "[ . 1 . 2]" 1
201 1 12 ALA H 1 13 LEU QB . . 5.500 4.681 4.638 4.713 . 0 0 "[ . 1 . 2]" 1
202 1 12 ALA H 1 13 LEU HG . . 5.160 3.896 3.866 3.922 . 0 0 "[ . 1 . 2]" 1
203 1 12 ALA MB 1 14 GLY H . . 5.350 4.222 4.206 4.235 . 0 0 "[ . 1 . 2]" 1
204 1 13 LEU H 1 13 LEU MD2 . . 3.980 3.255 3.220 3.276 . 0 0 "[ . 1 . 2]" 1
205 1 13 LEU H 1 13 LEU HG . . 3.200 2.185 2.158 2.201 . 0 0 "[ . 1 . 2]" 1
206 1 13 LEU H 1 14 GLY QA . . 4.980 4.495 4.486 4.502 . 0 0 "[ . 1 . 2]" 1
207 1 13 LEU HA 1 13 LEU MD1 . . 4.680 3.860 3.851 3.868 . 0 0 "[ . 1 . 2]" 1
208 1 13 LEU HA 1 13 LEU HG . . 3.800 3.211 3.201 3.223 . 0 0 "[ . 1 . 2]" 1
209 1 13 LEU QB 1 14 GLY H . . 4.560 3.528 3.511 3.553 . 0 0 "[ . 1 . 2]" 1
210 1 13 LEU HG 1 14 GLY H . . 5.120 4.600 4.580 4.618 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 12:05:54 PM GMT (wattos1)