NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589696 |
2n0x   |
25539 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n0x
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 130
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 7.683
_Distance_constraint_stats_list.Viol_max 0.073
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0071
_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 0.055 0.026 19 0 "[ . 1 . 2]"
1 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ARG 0.009 0.005 14 0 "[ . 1 . 2]"
1 4 TYR 0.064 0.028 19 0 "[ . 1 . 2]"
1 5 THR 0.087 0.017 17 0 "[ . 1 . 2]"
1 6 LYS 0.009 0.009 18 0 "[ . 1 . 2]"
1 7 LYS 0.009 0.007 2 0 "[ . 1 . 2]"
1 8 VAL 0.008 0.006 17 0 "[ . 1 . 2]"
1 9 PRO 0.090 0.028 19 0 "[ . 1 . 2]"
1 10 GLN 0.028 0.007 18 0 "[ . 1 . 2]"
1 11 VAL 0.146 0.073 16 0 "[ . 1 . 2]"
1 12 SER 0.020 0.007 18 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PRO 0.087 0.017 17 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 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 LEU HA 1 1 LEU MD1 . . 4.280 3.152 2.085 3.951 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 1 LEU QD . . 3.500 2.566 1.902 3.453 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 1 LEU MD2 . . 4.280 3.029 1.955 4.046 . 0 0 "[ . 1 . 2]" 1
4 1 1 LEU HA 1 2 VAL QG . . 4.660 3.825 3.246 4.457 . 0 0 "[ . 1 . 2]" 1
5 1 1 LEU HA 1 3 ARG QB . . 5.340 4.621 3.508 5.342 0.002 19 0 "[ . 1 . 2]" 1
6 1 1 LEU QB 1 1 LEU MD1 . . 2.870 2.091 1.953 2.347 . 0 0 "[ . 1 . 2]" 1
7 1 1 LEU QB 1 1 LEU QD . . 2.440 1.863 1.729 2.032 . 0 0 "[ . 1 . 2]" 1
8 1 1 LEU QB 1 1 LEU MD2 . . 2.870 2.099 1.929 2.289 . 0 0 "[ . 1 . 2]" 1
9 1 1 LEU QB 1 4 TYR QE . . 5.500 5.263 4.668 5.503 0.003 18 0 "[ . 1 . 2]" 1
10 1 1 LEU QD 1 2 VAL HA . . 5.440 4.202 3.292 5.281 . 0 0 "[ . 1 . 2]" 1
11 1 1 LEU QD 1 4 TYR QE . . 4.540 2.740 2.177 3.477 . 0 0 "[ . 1 . 2]" 1
12 1 1 LEU QD 1 6 LYS HA . . 5.440 4.678 3.655 5.449 0.009 18 0 "[ . 1 . 2]" 1
13 1 1 LEU QD 1 9 PRO HA . . 4.240 3.817 2.952 4.266 0.026 19 0 "[ . 1 . 2]" 1
14 1 1 LEU QD 1 9 PRO QB . . 2.690 2.570 1.981 2.693 0.003 16 0 "[ . 1 . 2]" 1
15 1 1 LEU QD 1 9 PRO HD2 . . 4.700 3.097 2.402 3.764 . 0 0 "[ . 1 . 2]" 1
16 1 1 LEU QD 1 9 PRO HD3 . . 4.480 2.061 1.838 2.636 . 0 0 "[ . 1 . 2]" 1
17 1 1 LEU QD 1 9 PRO HG3 . . 3.890 2.099 1.786 2.587 . 0 0 "[ . 1 . 2]" 1
18 1 1 LEU MD1 1 4 TYR QD . . 4.650 2.495 1.910 3.751 . 0 0 "[ . 1 . 2]" 1
19 1 1 LEU MD1 1 4 TYR QE . . 5.500 3.458 2.181 4.738 . 0 0 "[ . 1 . 2]" 1
20 1 1 LEU MD1 1 9 PRO HA . . 5.010 4.435 3.710 5.001 . 0 0 "[ . 1 . 2]" 1
21 1 1 LEU MD1 1 9 PRO HB2 . . 4.470 4.207 3.738 4.473 0.003 18 0 "[ . 1 . 2]" 1
22 1 1 LEU MD1 1 9 PRO HB3 . . 4.470 3.059 2.479 3.634 . 0 0 "[ . 1 . 2]" 1
23 1 1 LEU MD1 1 9 PRO HD3 . . 5.500 2.508 1.884 3.742 . 0 0 "[ . 1 . 2]" 1
24 1 1 LEU MD2 1 4 TYR QD . . 4.650 2.501 1.905 4.619 . 0 0 "[ . 1 . 2]" 1
25 1 1 LEU MD2 1 4 TYR QE . . 5.500 3.432 2.422 4.695 . 0 0 "[ . 1 . 2]" 1
26 1 1 LEU MD2 1 9 PRO HA . . 5.010 4.481 2.977 5.012 0.002 14 0 "[ . 1 . 2]" 1
27 1 1 LEU MD2 1 9 PRO HB2 . . 4.470 4.188 3.444 4.473 0.003 19 0 "[ . 1 . 2]" 1
28 1 1 LEU MD2 1 9 PRO HB3 . . 4.470 3.054 2.021 3.802 . 0 0 "[ . 1 . 2]" 1
29 1 1 LEU MD2 1 9 PRO HD3 . . 5.500 2.531 1.883 3.989 . 0 0 "[ . 1 . 2]" 1
30 1 2 VAL HA 1 2 VAL QG . . 3.310 2.126 2.034 2.296 . 0 0 "[ . 1 . 2]" 1
31 1 2 VAL HB 1 3 ARG H . . 5.500 3.706 2.654 4.424 . 0 0 "[ . 1 . 2]" 1
32 1 2 VAL QG 1 3 ARG HA . . 5.000 3.638 3.114 3.974 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG H 1 3 ARG HG2 . . 5.500 4.012 2.782 4.744 . 0 0 "[ . 1 . 2]" 1
34 1 3 ARG H 1 3 ARG HG3 . . 5.500 3.746 2.030 4.981 . 0 0 "[ . 1 . 2]" 1
35 1 3 ARG HA 1 3 ARG QD . . 4.330 3.144 1.981 4.080 . 0 0 "[ . 1 . 2]" 1
36 1 3 ARG HA 1 3 ARG HG2 . . 3.650 2.834 2.100 3.648 . 0 0 "[ . 1 . 2]" 1
37 1 3 ARG HA 1 3 ARG QG . . 3.130 2.398 2.082 2.630 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG HA 1 3 ARG HG3 . . 3.650 2.985 2.389 3.647 . 0 0 "[ . 1 . 2]" 1
39 1 3 ARG HA 1 4 TYR QD . . 5.290 5.065 4.720 5.295 0.005 14 0 "[ . 1 . 2]" 1
40 1 3 ARG QB 1 3 ARG QD . . 3.030 2.162 2.031 2.534 . 0 0 "[ . 1 . 2]" 1
41 1 3 ARG QB 1 3 ARG QG . . 2.240 2.038 2.001 2.087 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG QB 1 4 TYR QD . . 4.970 3.268 2.641 3.551 . 0 0 "[ . 1 . 2]" 1
43 1 3 ARG QB 1 4 TYR QE . . 4.150 3.359 2.651 3.678 . 0 0 "[ . 1 . 2]" 1
44 1 3 ARG HB2 1 4 TYR QE . . 4.770 4.214 3.270 4.772 0.002 10 0 "[ . 1 . 2]" 1
45 1 3 ARG HB3 1 4 TYR QE . . 4.770 3.622 2.802 4.079 . 0 0 "[ . 1 . 2]" 1
46 1 3 ARG QG 1 4 TYR QD . . 5.340 4.705 3.612 5.236 . 0 0 "[ . 1 . 2]" 1
47 1 4 TYR H 1 5 THR H . . 5.500 3.512 2.425 4.454 . 0 0 "[ . 1 . 2]" 1
48 1 4 TYR HA 1 4 TYR QD . . 3.170 2.439 2.204 3.019 . 0 0 "[ . 1 . 2]" 1
49 1 4 TYR QD 1 9 PRO QB . . 5.340 2.243 1.982 2.983 . 0 0 "[ . 1 . 2]" 1
50 1 4 TYR QD 1 9 PRO HD3 . . 5.110 4.017 3.717 4.465 . 0 0 "[ . 1 . 2]" 1
51 1 4 TYR QD 1 9 PRO HG2 . . 5.500 4.504 4.052 4.903 . 0 0 "[ . 1 . 2]" 1
52 1 4 TYR QD 1 13 THR MG . . 5.200 3.748 3.202 4.737 . 0 0 "[ . 1 . 2]" 1
53 1 4 TYR QE 1 9 PRO HD3 . . 5.500 5.485 5.405 5.528 0.028 19 0 "[ . 1 . 2]" 1
54 1 4 TYR QE 1 9 PRO HG2 . . 5.140 4.944 4.714 5.144 0.004 18 0 "[ . 1 . 2]" 1
55 1 5 THR H 1 13 THR MG . . 5.500 2.936 1.874 4.508 . 0 0 "[ . 1 . 2]" 1
56 1 5 THR H 1 14 PRO QD . . 4.330 3.397 1.983 4.345 0.015 15 0 "[ . 1 . 2]" 1
57 1 5 THR HA 1 14 PRO HD2 . . 3.460 3.450 3.343 3.477 0.017 17 0 "[ . 1 . 2]" 1
58 1 5 THR HA 1 14 PRO HD3 . . 3.460 3.137 2.275 3.463 0.003 11 0 "[ . 1 . 2]" 1
59 1 5 THR HB 1 14 PRO QD . . 3.760 2.310 1.898 3.768 0.008 11 0 "[ . 1 . 2]" 1
60 1 5 THR MG 1 13 THR MG . . 3.050 2.314 1.782 3.049 . 0 0 "[ . 1 . 2]" 1
61 1 5 THR MG 1 14 PRO HD2 . . 4.230 3.498 1.982 4.218 . 0 0 "[ . 1 . 2]" 1
62 1 5 THR MG 1 14 PRO QD . . 3.580 2.940 1.716 3.530 . 0 0 "[ . 1 . 2]" 1
63 1 5 THR MG 1 14 PRO HD3 . . 4.230 3.238 1.879 3.812 . 0 0 "[ . 1 . 2]" 1
64 1 5 THR MG 1 14 PRO QG . . 5.350 4.131 3.012 4.926 . 0 0 "[ . 1 . 2]" 1
65 1 6 LYS H 1 6 LYS QD . . 5.500 4.074 2.477 4.825 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS H 1 6 LYS QE . . 5.500 4.055 2.575 4.702 . 0 0 "[ . 1 . 2]" 1
67 1 6 LYS HA 1 6 LYS QD . . 3.630 2.762 2.007 3.538 . 0 0 "[ . 1 . 2]" 1
68 1 6 LYS HA 1 6 LYS QE . . 3.080 2.439 1.977 3.066 . 0 0 "[ . 1 . 2]" 1
69 1 6 LYS HA 1 6 LYS QG . . 3.450 2.605 2.191 3.072 . 0 0 "[ . 1 . 2]" 1
70 1 6 LYS QB 1 6 LYS QD . . 2.730 2.289 2.063 2.729 . 0 0 "[ . 1 . 2]" 1
71 1 6 LYS QB 1 6 LYS QE . . 3.640 2.674 1.956 3.613 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS QD 1 6 LYS QG . . 2.400 2.025 2.013 2.051 . 0 0 "[ . 1 . 2]" 1
73 1 6 LYS QG 1 7 LYS H . . 5.500 4.202 3.699 4.548 . 0 0 "[ . 1 . 2]" 1
74 1 7 LYS H 1 7 LYS QD . . 5.500 4.265 3.891 5.074 . 0 0 "[ . 1 . 2]" 1
75 1 7 LYS HA 1 7 LYS QD . . 3.790 3.036 2.039 3.797 0.007 2 0 "[ . 1 . 2]" 1
76 1 7 LYS HA 1 7 LYS QE . . 3.750 2.856 2.016 3.724 . 0 0 "[ . 1 . 2]" 1
77 1 7 LYS HA 1 7 LYS QG . . 3.630 2.353 2.061 2.823 . 0 0 "[ . 1 . 2]" 1
78 1 7 LYS HA 1 8 VAL H . . 2.850 2.675 2.581 2.738 . 0 0 "[ . 1 . 2]" 1
79 1 7 LYS HA 1 8 VAL HB . . 5.500 5.029 4.869 5.338 . 0 0 "[ . 1 . 2]" 1
80 1 7 LYS HA 1 8 VAL QG . . 4.630 4.139 3.813 4.345 . 0 0 "[ . 1 . 2]" 1
81 1 7 LYS QB 1 7 LYS QD . . 2.740 2.307 2.079 2.624 . 0 0 "[ . 1 . 2]" 1
82 1 7 LYS QB 1 7 LYS QE . . 2.530 2.305 1.973 2.532 0.002 2 0 "[ . 1 . 2]" 1
83 1 7 LYS QB 1 7 LYS QG . . 2.430 2.020 2.003 2.033 . 0 0 "[ . 1 . 2]" 1
84 1 7 LYS QB 1 8 VAL H . . 3.320 2.244 1.920 2.590 . 0 0 "[ . 1 . 2]" 1
85 1 7 LYS HB2 1 8 VAL H . . 3.860 3.500 2.861 3.796 . 0 0 "[ . 1 . 2]" 1
86 1 7 LYS HB3 1 8 VAL H . . 3.860 2.272 1.951 2.636 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS QD 1 7 LYS QG . . 2.400 2.021 2.012 2.028 . 0 0 "[ . 1 . 2]" 1
88 1 7 LYS QD 1 8 VAL H . . 5.500 3.785 1.948 4.243 . 0 0 "[ . 1 . 2]" 1
89 1 8 VAL H 1 8 VAL HB . . 2.860 2.575 2.533 2.638 . 0 0 "[ . 1 . 2]" 1
90 1 8 VAL H 1 8 VAL MG1 . . 4.080 2.611 1.926 3.766 . 0 0 "[ . 1 . 2]" 1
91 1 8 VAL H 1 8 VAL QG . . 3.110 2.103 1.920 2.267 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL H 1 8 VAL MG2 . . 4.080 3.268 1.946 3.766 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL H 1 9 PRO HD2 . . 5.500 4.768 4.756 4.797 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL HA 1 8 VAL MG1 . . 3.230 2.955 2.401 3.202 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL HA 1 8 VAL QG . . 2.640 2.266 2.095 2.335 . 0 0 "[ . 1 . 2]" 1
96 1 8 VAL HA 1 8 VAL MG2 . . 3.230 2.379 2.308 2.402 . 0 0 "[ . 1 . 2]" 1
97 1 8 VAL HA 1 9 PRO HD2 . . 2.410 2.111 2.108 2.116 . 0 0 "[ . 1 . 2]" 1
98 1 8 VAL HA 1 9 PRO HD3 . . 2.400 2.258 2.257 2.259 . 0 0 "[ . 1 . 2]" 1
99 1 8 VAL HB 1 9 PRO HD2 . . 4.110 3.763 3.641 4.035 . 0 0 "[ . 1 . 2]" 1
100 1 8 VAL QG 1 9 PRO HD2 . . 2.970 1.899 1.891 1.904 . 0 0 "[ . 1 . 2]" 1
101 1 8 VAL QG 1 9 PRO HD3 . . 3.530 3.207 3.159 3.227 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL QG 1 9 PRO HG2 . . 3.330 3.118 3.108 3.123 . 0 0 "[ . 1 . 2]" 1
103 1 8 VAL QG 1 10 GLN QG . . 4.190 3.187 2.082 4.196 0.006 17 0 "[ . 1 . 2]" 1
104 1 9 PRO HA 1 10 GLN H . . 3.110 2.191 2.151 2.374 . 0 0 "[ . 1 . 2]" 1
105 1 9 PRO QB 1 10 GLN HA . . 5.320 4.210 4.044 4.444 . 0 0 "[ . 1 . 2]" 1
106 1 10 GLN HA 1 10 GLN QB . . 2.630 2.369 2.176 2.535 . 0 0 "[ . 1 . 2]" 1
107 1 10 GLN HA 1 10 GLN QG . . 3.860 2.509 2.082 3.338 . 0 0 "[ . 1 . 2]" 1
108 1 10 GLN QB 1 11 VAL H . . 4.360 2.176 1.928 3.899 . 0 0 "[ . 1 . 2]" 1
109 1 10 GLN QB 1 12 SER H . . 4.380 2.944 2.274 4.273 . 0 0 "[ . 1 . 2]" 1
110 1 10 GLN HB2 1 11 VAL H . . 5.150 3.090 1.955 4.365 . 0 0 "[ . 1 . 2]" 1
111 1 10 GLN HB2 1 12 SER H . . 5.140 3.693 2.490 5.145 0.005 16 0 "[ . 1 . 2]" 1
112 1 10 GLN HB3 1 11 VAL H . . 5.150 2.468 1.937 4.389 . 0 0 "[ . 1 . 2]" 1
113 1 10 GLN HB3 1 12 SER H . . 5.140 3.491 2.289 5.147 0.007 18 0 "[ . 1 . 2]" 1
114 1 10 GLN QG 1 12 SER H . . 5.500 4.135 1.979 5.507 0.007 18 0 "[ . 1 . 2]" 1
115 1 11 VAL H 1 11 VAL HB . . 3.680 3.084 2.513 3.753 0.073 16 0 "[ . 1 . 2]" 1
116 1 11 VAL H 1 11 VAL QG . . 3.400 2.145 1.883 2.849 . 0 0 "[ . 1 . 2]" 1
117 1 11 VAL HA 1 11 VAL QG . . 3.030 2.152 2.025 2.286 . 0 0 "[ . 1 . 2]" 1
118 1 11 VAL HB 1 12 SER H . . 5.410 3.557 2.454 4.348 . 0 0 "[ . 1 . 2]" 1
119 1 11 VAL QG 1 12 SER H . . 4.970 2.791 1.958 3.729 . 0 0 "[ . 1 . 2]" 1
120 1 11 VAL QG 1 12 SER QB . . 5.500 3.473 2.663 4.439 . 0 0 "[ . 1 . 2]" 1
121 1 12 SER HA 1 13 THR H . . 3.360 2.214 2.137 2.593 . 0 0 "[ . 1 . 2]" 1
122 1 12 SER QB 1 13 THR H . . 4.560 3.423 2.022 4.020 . 0 0 "[ . 1 . 2]" 1
123 1 13 THR HA 1 13 THR HB . . 2.920 2.671 2.612 2.734 . 0 0 "[ . 1 . 2]" 1
124 1 13 THR HA 1 13 THR MG . . 2.840 2.071 1.962 2.210 . 0 0 "[ . 1 . 2]" 1
125 1 14 PRO HA 1 15 THR H . . 3.180 2.282 2.150 2.534 . 0 0 "[ . 1 . 2]" 1
126 1 14 PRO HA 1 16 LEU H . . 5.500 4.620 3.570 5.481 . 0 0 "[ . 1 . 2]" 1
127 1 14 PRO QB 1 15 THR HA . . 5.340 4.345 4.107 4.698 . 0 0 "[ . 1 . 2]" 1
128 1 15 THR HA 1 16 LEU H . . 2.920 2.474 2.165 2.873 . 0 0 "[ . 1 . 2]" 1
129 1 16 LEU H 1 16 LEU QD . . 4.730 3.417 1.903 3.954 . 0 0 "[ . 1 . 2]" 1
130 1 16 LEU QB 1 16 LEU QD . . 2.400 1.877 1.791 1.988 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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