NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
530414 |
2l9x   |
17492 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l9x
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 129
_Distance_constraint_stats_list.Viol_count 80
_Distance_constraint_stats_list.Viol_total 165.794
_Distance_constraint_stats_list.Viol_max 0.967
_Distance_constraint_stats_list.Viol_rms 0.0343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.1036
_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 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 1.881 0.281 2 0 "[ . 1 . 2]"
1 5 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 1.908 0.281 2 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 4.236 0.967 19 2 "[ . 1 .- +2]"
1 10 ILE 0.144 0.058 9 0 "[ . 1 . 2]"
1 11 GLY 0.002 0.002 12 0 "[ . 1 . 2]"
1 12 SER 0.003 0.003 20 0 "[ . 1 . 2]"
1 13 CYS 0.052 0.034 19 0 "[ . 1 . 2]"
1 14 VAL 0.175 0.031 18 0 "[ . 1 . 2]"
1 15 ILE 0.533 0.195 15 0 "[ . 1 . 2]"
1 16 SER 0.410 0.195 15 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.021 0.013 20 0 "[ . 1 . 2]"
1 19 ILE 0.021 0.013 20 0 "[ . 1 . 2]"
1 20 GLY 1.516 0.200 17 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 1.516 0.200 17 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 4.119 0.967 19 2 "[ . 1 .- +2]"
1 27 PHE 0.021 0.021 19 0 "[ . 1 . 2]"
1 28 DTH 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.021 0.021 19 0 "[ . 1 . 2]"
1 30 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 ASN H . . 3.380 2.273 2.109 2.807 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASN H 1 2 ASN HB2 . . 4.040 2.456 2.233 3.584 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASN H 1 2 ASN HB3 . . 4.040 3.246 2.467 3.621 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASN HA 1 3 ALA H . . 2.940 2.280 2.144 2.468 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASN HA 1 4 ALA H . . 4.520 4.004 3.780 4.225 . 0 0 "[ . 1 . 2]" 1
6 1 2 ASN QB 1 3 ALA H . . 3.440 3.002 2.293 3.417 . 0 0 "[ . 1 . 2]" 1
7 1 2 ASN QB 1 5 CYS H . . 4.410 2.623 2.291 3.640 . 0 0 "[ . 1 . 2]" 1
8 1 2 ASN HB2 1 3 ALA H . . 4.250 3.962 2.320 4.249 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASN HB3 1 3 ALA H . . 4.250 3.187 2.421 3.770 . 0 0 "[ . 1 . 2]" 1
10 1 3 ALA H 1 3 ALA MB . . 2.930 2.140 2.024 2.229 . 0 0 "[ . 1 . 2]" 1
11 1 3 ALA H 1 4 ALA H . . 3.360 2.633 2.478 2.770 . 0 0 "[ . 1 . 2]" 1
12 1 3 ALA H 1 4 ALA MB . . 4.400 4.254 4.104 4.392 . 0 0 "[ . 1 . 2]" 1
13 1 3 ALA H 1 5 CYS H . . 4.790 4.365 4.112 4.532 . 0 0 "[ . 1 . 2]" 1
14 1 3 ALA HA 1 6 VAL H . . 4.260 3.515 3.455 3.710 . 0 0 "[ . 1 . 2]" 1
15 1 3 ALA HA 1 6 VAL HB . . 3.650 3.146 2.639 3.606 . 0 0 "[ . 1 . 2]" 1
16 1 3 ALA HA 1 6 VAL MG1 . . 4.430 4.235 3.880 4.429 . 0 0 "[ . 1 . 2]" 1
17 1 3 ALA HA 1 6 VAL MG2 . . 4.430 2.244 1.966 2.913 . 0 0 "[ . 1 . 2]" 1
18 1 3 ALA MB 1 4 ALA H . . 3.650 2.837 2.703 2.944 . 0 0 "[ . 1 . 2]" 1
19 1 4 ALA H 1 4 ALA MB . . 2.950 2.126 2.035 2.231 . 0 0 "[ . 1 . 2]" 1
20 1 4 ALA H 1 5 CYS H . . 3.320 2.621 2.568 2.697 . 0 0 "[ . 1 . 2]" 1
21 1 4 ALA H 1 7 ILE H . . 5.070 5.127 4.863 5.351 0.281 2 0 "[ . 1 . 2]" 1
22 1 4 ALA H 1 7 ILE QG . . 5.340 5.203 4.915 5.345 0.005 20 0 "[ . 1 . 2]" 1
23 1 4 ALA HA 1 7 ILE H . . 4.980 3.705 3.531 3.983 . 0 0 "[ . 1 . 2]" 1
24 1 4 ALA HA 1 7 ILE HB . . 4.210 3.636 3.190 4.211 0.001 13 0 "[ . 1 . 2]" 1
25 1 4 ALA MB 1 5 CYS H . . 3.530 2.585 2.409 2.768 . 0 0 "[ . 1 . 2]" 1
26 1 5 CYS H 1 5 CYS HB2 . . 4.000 2.364 2.117 2.659 . 0 0 "[ . 1 . 2]" 1
27 1 5 CYS H 1 5 CYS QB . . 3.150 2.191 2.098 2.252 . 0 0 "[ . 1 . 2]" 1
28 1 5 CYS H 1 5 CYS HB3 . . 4.000 2.772 2.410 3.475 . 0 0 "[ . 1 . 2]" 1
29 1 5 CYS H 1 6 VAL H . . 3.400 2.653 2.598 2.716 . 0 0 "[ . 1 . 2]" 1
30 1 5 CYS HA 1 8 GLY H . . 4.930 3.373 3.266 3.615 . 0 0 "[ . 1 . 2]" 1
31 1 5 CYS QB 1 6 VAL H . . 3.720 2.680 2.441 2.901 . 0 0 "[ . 1 . 2]" 1
32 1 6 VAL H 1 6 VAL HB . . 3.290 2.595 2.563 2.639 . 0 0 "[ . 1 . 2]" 1
33 1 6 VAL H 1 6 VAL MG1 . . 4.310 3.763 3.761 3.765 . 0 0 "[ . 1 . 2]" 1
34 1 6 VAL H 1 6 VAL QG . . 3.640 2.106 1.914 2.250 . 0 0 "[ . 1 . 2]" 1
35 1 6 VAL H 1 6 VAL MG2 . . 4.310 2.117 1.920 2.268 . 0 0 "[ . 1 . 2]" 1
36 1 6 VAL HB 1 7 ILE H . . 3.650 2.553 2.244 2.966 . 0 0 "[ . 1 . 2]" 1
37 1 6 VAL QG 1 7 ILE H . . 4.370 3.196 2.979 3.430 . 0 0 "[ . 1 . 2]" 1
38 1 7 ILE H 1 7 ILE HB . . 3.490 2.556 2.526 2.638 . 0 0 "[ . 1 . 2]" 1
39 1 7 ILE H 1 7 ILE MD . . 4.930 3.257 2.947 3.456 . 0 0 "[ . 1 . 2]" 1
40 1 7 ILE H 1 7 ILE HG12 . . 4.070 2.930 1.953 3.626 . 0 0 "[ . 1 . 2]" 1
41 1 7 ILE H 1 7 ILE QG . . 3.410 2.059 1.943 2.141 . 0 0 "[ . 1 . 2]" 1
42 1 7 ILE H 1 7 ILE HG13 . . 4.070 2.678 2.049 3.635 . 0 0 "[ . 1 . 2]" 1
43 1 7 ILE H 1 7 ILE MG . . 4.760 3.765 3.762 3.768 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE H 1 8 GLY H . . 3.660 2.611 2.568 2.782 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE HA 1 10 ILE MD . . 4.430 2.112 1.907 3.032 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE HB 1 8 GLY H . . 3.660 2.943 2.339 3.065 . 0 0 "[ . 1 . 2]" 1
47 1 7 ILE HG12 1 10 ILE MD . . 4.280 3.902 3.371 4.283 0.003 9 0 "[ . 1 . 2]" 1
48 1 7 ILE HG13 1 10 ILE MD . . 4.280 4.253 4.161 4.291 0.011 17 0 "[ . 1 . 2]" 1
49 1 7 ILE MG 1 8 GLY H . . 4.210 3.725 3.267 3.860 . 0 0 "[ . 1 . 2]" 1
50 1 8 GLY H 1 9 CYS H . . 4.140 2.443 2.100 2.852 . 0 0 "[ . 1 . 2]" 1
51 1 9 CYS H 1 10 ILE H . . 4.430 2.624 2.103 3.634 . 0 0 "[ . 1 . 2]" 1
52 1 9 CYS HA 1 25 THR H . . 5.020 4.864 2.643 5.987 0.967 19 2 "[ . 1 .- +2]" 1
53 1 9 CYS HA 1 25 THR MG . . 4.570 3.968 3.525 4.099 . 0 0 "[ . 1 . 2]" 1
54 1 9 CYS QB 1 10 ILE H . . 3.930 3.432 2.566 3.988 0.058 9 0 "[ . 1 . 2]" 1
55 1 9 CYS QB 1 25 THR H . . 4.900 3.520 2.659 4.282 . 0 0 "[ . 1 . 2]" 1
56 1 9 CYS QB 1 25 THR MG . . 3.940 2.141 1.881 3.159 . 0 0 "[ . 1 . 2]" 1
57 1 9 CYS HB2 1 10 ILE H . . 4.600 3.695 2.632 4.366 . 0 0 "[ . 1 . 2]" 1
58 1 9 CYS HB2 1 25 THR MG . . 4.570 3.059 1.989 4.614 0.044 18 0 "[ . 1 . 2]" 1
59 1 9 CYS HB3 1 10 ILE H . . 4.600 4.132 3.499 4.609 0.009 9 0 "[ . 1 . 2]" 1
60 1 9 CYS HB3 1 25 THR MG . . 4.570 2.461 1.910 3.692 . 0 0 "[ . 1 . 2]" 1
61 1 10 ILE H 1 10 ILE HB . . 3.150 2.551 2.460 2.641 . 0 0 "[ . 1 . 2]" 1
62 1 10 ILE H 1 10 ILE MD . . 4.850 3.213 1.956 4.217 . 0 0 "[ . 1 . 2]" 1
63 1 10 ILE H 1 10 ILE QG . . 4.160 2.350 1.936 4.020 . 0 0 "[ . 1 . 2]" 1
64 1 10 ILE H 1 10 ILE MG . . 4.570 3.603 2.134 3.767 . 0 0 "[ . 1 . 2]" 1
65 1 10 ILE H 1 11 GLY H . . 4.080 2.682 2.585 2.911 . 0 0 "[ . 1 . 2]" 1
66 1 10 ILE HB 1 11 GLY H . . 3.980 2.813 2.157 3.976 . 0 0 "[ . 1 . 2]" 1
67 1 10 ILE MG 1 11 GLY H . . 4.510 3.391 2.058 3.864 . 0 0 "[ . 1 . 2]" 1
68 1 10 ILE MG 1 11 GLY QA . . 4.760 3.397 2.916 3.690 . 0 0 "[ . 1 . 2]" 1
69 1 11 GLY H 1 12 SER H . . 3.770 2.157 1.898 2.519 . 0 0 "[ . 1 . 2]" 1
70 1 11 GLY H 1 14 VAL QG . . 5.170 4.654 3.845 5.172 0.002 12 0 "[ . 1 . 2]" 1
71 1 11 GLY QA 1 14 VAL HB . . 4.620 3.805 2.936 4.358 . 0 0 "[ . 1 . 2]" 1
72 1 11 GLY QA 1 14 VAL QG . . 4.420 2.467 1.799 3.646 . 0 0 "[ . 1 . 2]" 1
73 1 12 SER H 1 12 SER HB2 . . 3.960 2.898 2.180 3.626 . 0 0 "[ . 1 . 2]" 1
74 1 12 SER H 1 12 SER HB3 . . 3.960 2.831 2.294 3.621 . 0 0 "[ . 1 . 2]" 1
75 1 12 SER HA 1 15 ILE HB . . 4.690 3.408 2.319 4.351 . 0 0 "[ . 1 . 2]" 1
76 1 12 SER HA 1 15 ILE QG . . 4.630 3.276 2.315 4.633 0.003 20 0 "[ . 1 . 2]" 1
77 1 13 CYS H 1 16 SER QB . . 5.340 5.088 4.544 5.374 0.034 19 0 "[ . 1 . 2]" 1
78 1 13 CYS HA 1 16 SER H . . 5.000 3.437 3.181 3.884 . 0 0 "[ . 1 . 2]" 1
79 1 13 CYS QB 1 21 SER QB . . 3.680 2.741 1.934 3.634 . 0 0 "[ . 1 . 2]" 1
80 1 14 VAL H 1 14 VAL HB . . 4.010 2.681 2.440 3.617 . 0 0 "[ . 1 . 2]" 1
81 1 14 VAL H 1 14 VAL QG . . 4.120 2.082 1.819 2.349 . 0 0 "[ . 1 . 2]" 1
82 1 14 VAL H 1 15 ILE H . . 3.920 2.675 2.344 2.900 . 0 0 "[ . 1 . 2]" 1
83 1 14 VAL HB 1 15 ILE H . . 3.940 3.167 2.328 3.971 0.031 18 0 "[ . 1 . 2]" 1
84 1 15 ILE H 1 15 ILE HB . . 3.690 2.558 2.516 2.626 . 0 0 "[ . 1 . 2]" 1
85 1 15 ILE H 1 15 ILE HG12 . . 3.970 2.857 1.970 3.814 . 0 0 "[ . 1 . 2]" 1
86 1 15 ILE H 1 15 ILE HG13 . . 3.970 2.781 1.990 3.597 . 0 0 "[ . 1 . 2]" 1
87 1 15 ILE H 1 15 ILE MG . . 4.070 3.766 3.764 3.770 . 0 0 "[ . 1 . 2]" 1
88 1 15 ILE H 1 16 SER H . . 4.130 2.569 2.544 2.605 . 0 0 "[ . 1 . 2]" 1
89 1 15 ILE H 1 16 SER QB . . 4.720 4.426 4.288 4.623 . 0 0 "[ . 1 . 2]" 1
90 1 15 ILE HB 1 16 SER H . . 4.560 2.978 2.729 3.188 . 0 0 "[ . 1 . 2]" 1
91 1 15 ILE HB 1 16 SER QB . . 4.340 4.058 3.738 4.535 0.195 15 0 "[ . 1 . 2]" 1
92 1 16 SER H 1 17 GLU H . . 4.160 2.608 2.185 2.973 . 0 0 "[ . 1 . 2]" 1
93 1 17 GLU QB 1 18 GLY H . . 4.410 3.834 3.769 3.912 . 0 0 "[ . 1 . 2]" 1
94 1 18 GLY H 1 19 ILE H . . 4.560 3.754 2.722 4.573 0.013 20 0 "[ . 1 . 2]" 1
95 1 19 ILE H 1 19 ILE HB . . 3.840 2.661 2.497 3.618 . 0 0 "[ . 1 . 2]" 1
96 1 19 ILE H 1 19 ILE HG12 . . 3.980 2.784 1.951 3.849 . 0 0 "[ . 1 . 2]" 1
97 1 19 ILE H 1 19 ILE QG . . 3.410 2.111 1.927 2.813 . 0 0 "[ . 1 . 2]" 1
98 1 19 ILE H 1 19 ILE HG13 . . 3.980 2.812 1.970 3.633 . 0 0 "[ . 1 . 2]" 1
99 1 19 ILE H 1 20 GLY H . . 3.620 2.580 2.496 2.756 . 0 0 "[ . 1 . 2]" 1
100 1 19 ILE HB 1 20 GLY H . . 4.240 2.850 2.190 4.028 . 0 0 "[ . 1 . 2]" 1
101 1 20 GLY H 1 22 LEU H . . 5.310 5.230 4.532 5.510 0.200 17 0 "[ . 1 . 2]" 1
102 1 20 GLY QA 1 22 LEU H . . 4.830 3.435 3.062 4.405 . 0 0 "[ . 1 . 2]" 1
103 1 22 LEU H 1 22 LEU HB2 . . 3.970 2.361 2.052 3.554 . 0 0 "[ . 1 . 2]" 1
104 1 22 LEU H 1 22 LEU QB . . 3.300 2.242 2.028 2.520 . 0 0 "[ . 1 . 2]" 1
105 1 22 LEU H 1 22 LEU HB3 . . 3.970 3.276 2.319 3.584 . 0 0 "[ . 1 . 2]" 1
106 1 22 LEU H 1 22 LEU HG . . 4.440 3.483 2.109 4.435 . 0 0 "[ . 1 . 2]" 1
107 1 22 LEU H 1 23 VAL H . . 3.880 2.730 2.665 2.868 . 0 0 "[ . 1 . 2]" 1
108 1 22 LEU HA 1 22 LEU MD1 . . 4.420 3.147 2.034 4.081 . 0 0 "[ . 1 . 2]" 1
109 1 22 LEU HA 1 22 LEU QD . . 3.540 2.396 1.961 3.370 . 0 0 "[ . 1 . 2]" 1
110 1 22 LEU HA 1 22 LEU MD2 . . 4.420 2.805 2.018 3.933 . 0 0 "[ . 1 . 2]" 1
111 1 22 LEU HB2 1 23 VAL H . . 4.400 3.171 2.413 4.200 . 0 0 "[ . 1 . 2]" 1
112 1 22 LEU HB3 1 23 VAL H . . 4.400 3.374 2.440 4.044 . 0 0 "[ . 1 . 2]" 1
113 1 23 VAL H 1 23 VAL HB . . 4.030 2.869 2.504 3.667 . 0 0 "[ . 1 . 2]" 1
114 1 23 VAL H 1 23 VAL QG . . 3.920 2.158 1.872 2.435 . 0 0 "[ . 1 . 2]" 1
115 1 23 VAL H 1 24 GLY H . . 3.780 2.384 2.277 2.605 . 0 0 "[ . 1 . 2]" 1
116 1 23 VAL HA 1 24 GLY HA2 . . 5.400 4.799 4.496 4.904 . 0 0 "[ . 1 . 2]" 1
117 1 23 VAL HA 1 24 GLY QA . . 4.640 4.440 4.210 4.511 . 0 0 "[ . 1 . 2]" 1
118 1 23 VAL HA 1 24 GLY HA3 . . 5.400 5.239 5.057 5.329 . 0 0 "[ . 1 . 2]" 1
119 1 25 THR H 1 25 THR MG . . 4.170 2.040 1.903 2.090 . 0 0 "[ . 1 . 2]" 1
120 1 27 PHE H 1 27 PHE QB . . 3.660 2.189 2.129 2.303 . 0 0 "[ . 1 . 2]" 1
121 1 27 PHE H 1 29 LEU H . . 4.430 4.301 3.999 4.451 0.021 19 0 "[ . 1 . 2]" 1
122 1 27 PHE HA 1 29 LEU H . . 4.910 3.769 3.494 4.154 . 0 0 "[ . 1 . 2]" 1
123 1 28 DTH HB 1 29 LEU H . . 5.310 4.306 3.857 4.527 . 0 0 "[ . 1 . 2]" 1
124 1 29 LEU H 1 29 LEU QB . . 3.400 2.560 2.223 3.220 . 0 0 "[ . 1 . 2]" 1
125 1 29 LEU H 1 29 LEU HG . . 3.570 2.674 2.003 3.502 . 0 0 "[ . 1 . 2]" 1
126 1 29 LEU H 1 30 GLY H . . 3.950 2.897 1.900 3.790 . 0 0 "[ . 1 . 2]" 1
127 1 29 LEU HA 1 29 LEU MD1 . . 4.460 3.761 3.141 4.109 . 0 0 "[ . 1 . 2]" 1
128 1 29 LEU HA 1 29 LEU QD . . 3.620 2.692 1.998 3.423 . 0 0 "[ . 1 . 2]" 1
129 1 29 LEU HA 1 29 LEU MD2 . . 4.460 2.958 2.004 4.086 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:08:59 PM GMT (wattos1)