NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595818 |
2n0h   |
25525 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n0h
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 137
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 10.786
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0257
_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 HIS 0.234 0.063 6 0 "[ . 1 . 2]"
1 4 TRP 0.229 0.042 19 0 "[ . 1 . 2]"
1 5 ALA 0.015 0.015 9 0 "[ . 1 . 2]"
1 6 VAL 0.351 0.063 6 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.118 0.049 8 0 "[ . 1 . 2]"
1 10 MET 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 3 HIS H . . 4.430 3.586 3.194 4.290 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY HA2 1 2 ASN H . . 3.320 2.565 2.147 3.259 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY HA2 1 3 HIS H . . 5.170 4.450 3.668 5.023 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY HA3 1 2 ASN H . . 3.320 2.643 2.153 3.195 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY HA3 1 3 HIS H . . 5.170 3.849 3.298 4.691 . 0 0 "[ . 1 . 2]" 1
6 1 2 ASN H 1 2 ASN HB2 . . 3.840 2.893 2.263 3.715 . 0 0 "[ . 1 . 2]" 1
7 1 2 ASN H 1 2 ASN QB . . 3.230 2.503 2.235 2.921 . 0 0 "[ . 1 . 2]" 1
8 1 2 ASN H 1 2 ASN HB3 . . 3.840 3.172 2.333 3.747 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASN H 1 2 ASN QD . . 4.570 3.628 2.056 4.488 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASN HA 1 3 HIS H . . 3.540 2.882 2.262 3.448 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASN QB 1 2 ASN QD . . 3.070 2.213 2.103 2.476 . 0 0 "[ . 1 . 2]" 1
12 1 2 ASN QB 1 3 HIS H . . 4.120 3.576 2.593 4.003 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASN HB2 1 3 HIS H . . 4.720 3.985 2.658 4.607 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASN HB3 1 3 HIS H . . 4.720 4.117 3.505 4.601 . 0 0 "[ . 1 . 2]" 1
15 1 3 HIS H 1 3 HIS QB . . 3.290 2.846 2.531 2.946 . 0 0 "[ . 1 . 2]" 1
16 1 3 HIS H 1 4 TRP H . . 3.700 3.666 3.583 3.718 0.018 6 0 "[ . 1 . 2]" 1
17 1 3 HIS HA 1 3 HIS HD2 . . 4.070 2.794 2.548 3.968 . 0 0 "[ . 1 . 2]" 1
18 1 3 HIS HA 1 4 TRP H . . 3.540 2.180 2.151 2.269 . 0 0 "[ . 1 . 2]" 1
19 1 3 HIS QB 1 3 HIS HD2 . . 3.330 3.038 2.687 3.158 . 0 0 "[ . 1 . 2]" 1
20 1 3 HIS QB 1 6 VAL H . . 4.360 3.945 3.628 4.212 . 0 0 "[ . 1 . 2]" 1
21 1 3 HIS QB 1 6 VAL HB . . 4.140 3.456 3.130 3.700 . 0 0 "[ . 1 . 2]" 1
22 1 3 HIS QB 1 6 VAL MG1 . . 3.940 2.465 1.892 2.825 . 0 0 "[ . 1 . 2]" 1
23 1 3 HIS QB 1 6 VAL MG2 . . 4.370 4.074 3.687 4.323 . 0 0 "[ . 1 . 2]" 1
24 1 3 HIS QB 1 7 GLY H . . 5.500 5.335 5.025 5.481 . 0 0 "[ . 1 . 2]" 1
25 1 3 HIS HD2 1 4 TRP H . . 4.510 3.289 2.696 4.514 0.004 12 0 "[ . 1 . 2]" 1
26 1 3 HIS HD2 1 6 VAL H . . 4.640 2.368 1.973 3.803 . 0 0 "[ . 1 . 2]" 1
27 1 3 HIS HD2 1 6 VAL HA . . 4.380 4.238 3.417 4.443 0.063 6 0 "[ . 1 . 2]" 1
28 1 3 HIS HD2 1 6 VAL MG1 . . 4.350 2.985 2.696 3.357 . 0 0 "[ . 1 . 2]" 1
29 1 4 TRP H 1 4 TRP HB2 . . 3.500 2.809 2.715 2.957 . 0 0 "[ . 1 . 2]" 1
30 1 4 TRP H 1 4 TRP HB3 . . 3.380 2.581 2.434 2.780 . 0 0 "[ . 1 . 2]" 1
31 1 4 TRP H 1 4 TRP HE3 . . 4.640 4.513 4.237 4.682 0.042 19 0 "[ . 1 . 2]" 1
32 1 4 TRP H 1 5 ALA H . . 4.080 2.117 2.013 2.226 . 0 0 "[ . 1 . 2]" 1
33 1 4 TRP H 1 5 ALA MB . . 5.240 3.823 3.746 3.917 . 0 0 "[ . 1 . 2]" 1
34 1 4 TRP HA 1 4 TRP HD1 . . 3.700 3.458 3.376 3.563 . 0 0 "[ . 1 . 2]" 1
35 1 4 TRP HA 1 4 TRP HE3 . . 4.380 4.145 3.894 4.290 . 0 0 "[ . 1 . 2]" 1
36 1 4 TRP HA 1 5 ALA HA . . 5.090 4.734 4.693 4.762 . 0 0 "[ . 1 . 2]" 1
37 1 4 TRP HA 1 5 ALA MB . . 5.180 4.905 4.864 4.955 . 0 0 "[ . 1 . 2]" 1
38 1 4 TRP HA 1 7 GLY H . . 5.330 3.567 3.344 3.871 . 0 0 "[ . 1 . 2]" 1
39 1 4 TRP HB2 1 5 ALA H . . 4.390 3.841 3.488 4.047 . 0 0 "[ . 1 . 2]" 1
40 1 4 TRP HB3 1 4 TRP HE3 . . 3.540 2.718 2.676 2.776 . 0 0 "[ . 1 . 2]" 1
41 1 4 TRP HB3 1 4 TRP HZ3 . . 5.350 5.012 4.977 5.060 . 0 0 "[ . 1 . 2]" 1
42 1 4 TRP HB3 1 5 ALA H . . 4.310 2.747 2.273 2.982 . 0 0 "[ . 1 . 2]" 1
43 1 4 TRP HB3 1 5 ALA HA . . 5.160 4.197 4.027 4.345 . 0 0 "[ . 1 . 2]" 1
44 1 4 TRP HB3 1 5 ALA MB . . 4.740 4.134 3.764 4.370 . 0 0 "[ . 1 . 2]" 1
45 1 4 TRP HB3 1 7 GLY H . . 5.500 5.383 5.276 5.452 . 0 0 "[ . 1 . 2]" 1
46 1 4 TRP HE3 1 5 ALA H . . 4.220 3.231 3.018 3.470 . 0 0 "[ . 1 . 2]" 1
47 1 4 TRP HE3 1 5 ALA HA . . 3.660 2.410 2.201 2.554 . 0 0 "[ . 1 . 2]" 1
48 1 4 TRP HE3 1 5 ALA MB . . 3.760 3.412 3.188 3.622 . 0 0 "[ . 1 . 2]" 1
49 1 4 TRP HE3 1 6 VAL H . . 4.990 4.839 4.620 5.022 0.032 7 0 "[ . 1 . 2]" 1
50 1 4 TRP HZ3 1 5 ALA HA . . 4.810 3.411 3.188 3.636 . 0 0 "[ . 1 . 2]" 1
51 1 4 TRP HZ3 1 5 ALA MB . . 4.740 4.433 4.070 4.755 0.015 9 0 "[ . 1 . 2]" 1
52 1 5 ALA H 1 5 ALA MB . . 3.320 2.216 2.215 2.218 . 0 0 "[ . 1 . 2]" 1
53 1 5 ALA H 1 6 VAL H . . 3.690 2.681 2.623 2.741 . 0 0 "[ . 1 . 2]" 1
54 1 5 ALA HA 1 6 VAL H . . 3.500 3.400 3.395 3.413 . 0 0 "[ . 1 . 2]" 1
55 1 5 ALA HA 1 6 VAL MG1 . . 4.940 4.754 4.682 4.850 . 0 0 "[ . 1 . 2]" 1
56 1 5 ALA HA 1 7 GLY H . . 4.940 3.791 3.588 3.960 . 0 0 "[ . 1 . 2]" 1
57 1 5 ALA HA 1 8 HIS H . . 4.440 3.457 2.954 3.899 . 0 0 "[ . 1 . 2]" 1
58 1 5 ALA HA 1 8 HIS HB2 . . 5.020 3.444 3.285 3.740 . 0 0 "[ . 1 . 2]" 1
59 1 5 ALA HA 1 8 HIS QB . . 4.420 2.848 2.643 3.095 . 0 0 "[ . 1 . 2]" 1
60 1 5 ALA HA 1 8 HIS HB3 . . 5.020 3.044 2.781 3.310 . 0 0 "[ . 1 . 2]" 1
61 1 5 ALA HA 1 8 HIS HD2 . . 5.500 5.117 4.652 5.480 . 0 0 "[ . 1 . 2]" 1
62 1 5 ALA HA 1 9 LEU MD1 . . 5.280 4.844 4.187 5.199 . 0 0 "[ . 1 . 2]" 1
63 1 5 ALA MB 1 6 VAL H . . 3.650 2.846 2.806 2.864 . 0 0 "[ . 1 . 2]" 1
64 1 5 ALA MB 1 6 VAL HA . . 4.690 3.885 3.872 3.893 . 0 0 "[ . 1 . 2]" 1
65 1 5 ALA MB 1 8 HIS HB2 . . 4.870 4.579 4.405 4.763 . 0 0 "[ . 1 . 2]" 1
66 1 5 ALA MB 1 8 HIS QB . . 4.160 3.592 3.344 3.781 . 0 0 "[ . 1 . 2]" 1
67 1 5 ALA MB 1 8 HIS HB3 . . 4.870 3.757 3.464 3.969 . 0 0 "[ . 1 . 2]" 1
68 1 6 VAL H 1 6 VAL HB . . 3.210 2.499 2.428 2.540 . 0 0 "[ . 1 . 2]" 1
69 1 6 VAL H 1 6 VAL MG1 . . 3.140 2.093 2.022 2.217 . 0 0 "[ . 1 . 2]" 1
70 1 6 VAL H 1 6 VAL MG2 . . 3.890 3.736 3.726 3.740 . 0 0 "[ . 1 . 2]" 1
71 1 6 VAL H 1 7 GLY H . . 3.500 2.660 2.573 2.740 . 0 0 "[ . 1 . 2]" 1
72 1 6 VAL HA 1 6 VAL MG1 . . 3.250 3.122 3.121 3.123 . 0 0 "[ . 1 . 2]" 1
73 1 6 VAL HA 1 6 VAL MG2 . . 3.270 2.347 2.319 2.376 . 0 0 "[ . 1 . 2]" 1
74 1 6 VAL HA 1 8 HIS H . . 4.300 3.783 3.485 4.210 . 0 0 "[ . 1 . 2]" 1
75 1 6 VAL HA 1 9 LEU H . . 4.560 3.634 3.344 3.866 . 0 0 "[ . 1 . 2]" 1
76 1 6 VAL HA 1 9 LEU HB2 . . 4.620 3.818 3.231 4.437 . 0 0 "[ . 1 . 2]" 1
77 1 6 VAL HA 1 9 LEU HG . . 4.770 4.262 3.251 4.819 0.049 8 0 "[ . 1 . 2]" 1
78 1 6 VAL HA 1 10 MET H . . 5.080 3.571 2.872 3.968 . 0 0 "[ . 1 . 2]" 1
79 1 6 VAL HB 1 7 GLY H . . 4.180 3.971 3.916 4.036 . 0 0 "[ . 1 . 2]" 1
80 1 6 VAL MG1 1 7 GLY H . . 4.570 2.298 2.114 2.389 . 0 0 "[ . 1 . 2]" 1
81 1 6 VAL MG1 1 7 GLY QA . . 4.690 3.000 2.956 3.070 . 0 0 "[ . 1 . 2]" 1
82 1 6 VAL MG2 1 7 GLY H . . 4.140 3.762 3.580 3.868 . 0 0 "[ . 1 . 2]" 1
83 1 6 VAL MG2 1 7 GLY HA2 . . 4.780 3.734 3.568 3.858 . 0 0 "[ . 1 . 2]" 1
84 1 6 VAL MG2 1 7 GLY QA . . 4.080 3.578 3.435 3.681 . 0 0 "[ . 1 . 2]" 1
85 1 6 VAL MG2 1 7 GLY HA3 . . 4.780 4.584 4.478 4.724 . 0 0 "[ . 1 . 2]" 1
86 1 6 VAL MG2 1 10 MET H . . 4.280 3.775 3.362 4.161 . 0 0 "[ . 1 . 2]" 1
87 1 6 VAL MG2 1 10 MET HA . . 5.410 5.137 4.607 5.402 . 0 0 "[ . 1 . 2]" 1
88 1 6 VAL MG2 1 10 MET HG2 . . 4.660 3.737 2.386 4.458 . 0 0 "[ . 1 . 2]" 1
89 1 6 VAL MG2 1 10 MET HG3 . . 4.660 3.021 2.344 3.993 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLY H 1 8 HIS H . . 3.560 2.567 2.323 2.772 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLY H 1 9 LEU H . . 4.520 4.260 3.935 4.514 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLY QA 1 9 LEU H . . 4.630 4.040 3.749 4.203 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLY QA 1 10 MET H . . 4.680 4.091 3.280 4.652 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLY HA2 1 9 LEU H . . 5.310 4.309 3.989 4.544 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLY HA3 1 9 LEU H . . 5.310 4.895 4.553 5.183 . 0 0 "[ . 1 . 2]" 1
96 1 8 HIS H 1 8 HIS HB2 . . 3.630 2.848 2.589 3.139 . 0 0 "[ . 1 . 2]" 1
97 1 8 HIS H 1 8 HIS QB . . 3.170 2.338 2.233 2.470 . 0 0 "[ . 1 . 2]" 1
98 1 8 HIS H 1 8 HIS HB3 . . 3.630 2.490 2.374 2.613 . 0 0 "[ . 1 . 2]" 1
99 1 8 HIS H 1 8 HIS HD2 . . 5.060 4.993 4.898 5.042 . 0 0 "[ . 1 . 2]" 1
100 1 8 HIS H 1 9 LEU H . . 3.430 2.193 1.886 2.503 . 0 0 "[ . 1 . 2]" 1
101 1 8 HIS H 1 10 MET H . . 4.240 3.913 3.147 4.232 . 0 0 "[ . 1 . 2]" 1
102 1 8 HIS HA 1 8 HIS HD2 . . 4.880 4.447 4.156 4.676 . 0 0 "[ . 1 . 2]" 1
103 1 8 HIS HA 1 9 LEU HA . . 5.090 4.558 4.512 4.616 . 0 0 "[ . 1 . 2]" 1
104 1 8 HIS HA 1 9 LEU HG . . 5.110 5.000 4.843 5.074 . 0 0 "[ . 1 . 2]" 1
105 1 8 HIS QB 1 9 LEU H . . 3.770 2.730 2.596 2.881 . 0 0 "[ . 1 . 2]" 1
106 1 8 HIS QB 1 9 LEU HG . . 5.210 3.045 2.910 3.214 . 0 0 "[ . 1 . 2]" 1
107 1 8 HIS HB2 1 9 LEU H . . 4.310 3.932 3.856 4.030 . 0 0 "[ . 1 . 2]" 1
108 1 8 HIS HB3 1 9 LEU H . . 4.310 2.785 2.638 2.953 . 0 0 "[ . 1 . 2]" 1
109 1 8 HIS HD2 1 9 LEU HA . . 5.240 4.122 3.616 4.586 . 0 0 "[ . 1 . 2]" 1
110 1 8 HIS HD2 1 9 LEU MD2 . . 4.180 2.344 2.026 2.889 . 0 0 "[ . 1 . 2]" 1
111 1 8 HIS HD2 1 9 LEU HG . . 5.080 3.287 2.784 3.848 . 0 0 "[ . 1 . 2]" 1
112 1 9 LEU H 1 9 LEU HB2 . . 3.270 2.617 2.531 2.703 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU H 1 9 LEU HB3 . . 3.860 3.589 3.540 3.644 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU H 1 9 LEU MD1 . . 4.200 3.532 3.299 3.691 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU H 1 9 LEU MD2 . . 4.380 3.409 3.114 3.652 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU H 1 9 LEU HG . . 3.440 2.306 2.054 2.508 . 0 0 "[ . 1 . 2]" 1
117 1 9 LEU H 1 10 MET H . . 3.270 2.454 2.191 2.695 . 0 0 "[ . 1 . 2]" 1
118 1 9 LEU HA 1 9 LEU MD1 . . 4.010 3.896 3.859 3.916 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU HA 1 9 LEU MD2 . . 2.950 2.317 2.212 2.400 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU HA 1 9 LEU HG . . 3.500 3.106 2.977 3.234 . 0 0 "[ . 1 . 2]" 1
121 1 9 LEU HA 1 10 MET HA . . 5.460 4.545 4.482 4.704 . 0 0 "[ . 1 . 2]" 1
122 1 9 LEU HB2 1 9 LEU MD1 . . 3.530 2.248 2.199 2.296 . 0 0 "[ . 1 . 2]" 1
123 1 9 LEU HB2 1 9 LEU HG . . 2.770 2.445 2.401 2.501 . 0 0 "[ . 1 . 2]" 1
124 1 9 LEU HB2 1 10 MET H . . 3.710 2.265 2.032 2.709 . 0 0 "[ . 1 . 2]" 1
125 1 9 LEU HB3 1 9 LEU MD1 . . 3.600 2.441 2.379 2.520 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU HB3 1 9 LEU MD2 . . 3.450 2.269 2.215 2.323 . 0 0 "[ . 1 . 2]" 1
127 1 9 LEU HB3 1 10 MET H . . 4.120 3.463 3.215 3.865 . 0 0 "[ . 1 . 2]" 1
128 1 9 LEU MD1 1 10 MET H . . 4.720 3.979 3.731 4.407 . 0 0 "[ . 1 . 2]" 1
129 1 9 LEU MD1 1 10 MET QG . . 5.210 3.947 3.721 4.403 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU MD2 1 10 MET H . . 4.590 4.539 4.488 4.580 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU HG 1 10 MET H . . 4.110 3.935 3.753 4.068 . 0 0 "[ . 1 . 2]" 1
132 1 10 MET H 1 10 MET HB2 . . 3.950 2.768 2.397 3.770 . 0 0 "[ . 1 . 2]" 1
133 1 10 MET H 1 10 MET QB . . 3.200 2.580 2.362 3.150 . 0 0 "[ . 1 . 2]" 1
134 1 10 MET H 1 10 MET HB3 . . 3.950 3.490 3.014 3.672 . 0 0 "[ . 1 . 2]" 1
135 1 10 MET H 1 10 MET HG2 . . 3.920 2.700 2.053 3.519 . 0 0 "[ . 1 . 2]" 1
136 1 10 MET H 1 10 MET HG3 . . 3.920 3.091 2.155 3.820 . 0 0 "[ . 1 . 2]" 1
137 1 10 MET HA 1 10 MET QG . . 3.710 2.773 2.286 3.244 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 3, 2024 8:08:45 PM GMT (wattos1)