NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
385237 |
1kx6   |
23 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kx6
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 430
_Distance_constraint_stats_list.Viol_total 1028.519
_Distance_constraint_stats_list.Viol_max 0.427
_Distance_constraint_stats_list.Viol_rms 0.0598
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0188
_Distance_constraint_stats_list.Viol_average_violations_only 0.1196
_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 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.565 0.164 4 0 "[ . 1 . 2]"
1 6 PHE 0.245 0.070 12 0 "[ . 1 . 2]"
1 7 THR 1.205 0.204 3 0 "[ . 1 . 2]"
1 8 SER 0.126 0.097 1 0 "[ . 1 . 2]"
1 9 ASP 0.126 0.097 1 0 "[ . 1 . 2]"
1 10 TYR 0.041 0.025 1 0 "[ . 1 . 2]"
1 11 SER 1.343 0.214 11 0 "[ . 1 . 2]"
1 12 LYS 3.250 0.308 13 0 "[ . 1 . 2]"
1 13 TYR 0.005 0.002 15 0 "[ . 1 . 2]"
1 14 LEU 0.020 0.008 8 0 "[ . 1 . 2]"
1 15 ASP 0.008 0.008 8 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ARG 0.313 0.071 2 0 "[ . 1 . 2]"
1 19 ALA 5.151 0.334 15 0 "[ . 1 . 2]"
1 20 GLN 3.872 0.334 15 0 "[ . 1 . 2]"
1 21 ASP 2.930 0.207 7 0 "[ . 1 . 2]"
1 22 PHE 1.293 0.160 2 0 "[ . 1 . 2]"
1 23 VAL 13.774 0.387 8 0 "[ . 1 . 2]"
1 24 GLN 15.267 0.387 8 0 "[ . 1 . 2]"
1 25 TRP 15.028 0.427 20 0 "[ . 1 . 2]"
1 26 LEU 5.830 0.141 5 0 "[ . 1 . 2]"
1 27 MET 1.348 0.171 13 0 "[ . 1 . 2]"
1 28 ASN 0.181 0.056 8 0 "[ . 1 . 2]"
1 29 THR 0.258 0.258 16 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 3 GLN HA 1 4 GLY H . . 2.700 2.362 2.202 2.576 . 0 0 "[ . 1 . 2]" 1
2 1 5 THR H 1 5 THR HA . . 2.700 2.640 2.229 2.864 0.164 4 0 "[ . 1 . 2]" 1
3 1 5 THR H 1 5 THR MG . . 4.100 2.207 1.890 3.365 . 0 0 "[ . 1 . 2]" 1
4 1 5 THR HA 1 5 THR MG . . 3.000 2.395 2.230 2.568 . 0 0 "[ . 1 . 2]" 1
5 1 5 THR HA 1 6 PHE H . . 2.400 2.401 2.384 2.470 0.070 12 0 "[ . 1 . 2]" 1
6 1 5 THR HB 1 6 PHE H . . 2.700 2.681 2.578 2.706 0.006 5 0 "[ . 1 . 2]" 1
7 1 5 THR HB 1 6 PHE QR . . 7.400 4.483 3.414 5.674 . 0 0 "[ . 1 . 2]" 1
8 1 5 THR HB 1 7 THR MG . . 4.000 2.979 2.729 3.168 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR MG 1 6 PHE H . . 6.000 3.840 3.612 4.027 . 0 0 "[ . 1 . 2]" 1
10 1 6 PHE H 1 6 PHE QB . . 3.300 2.550 1.987 3.023 . 0 0 "[ . 1 . 2]" 1
11 1 6 PHE HA 1 10 TYR CG . . 7.000 5.048 2.920 7.004 0.004 16 0 "[ . 1 . 2]" 1
12 1 6 PHE QR 1 7 THR HA . . 7.400 3.682 2.694 5.557 . 0 0 "[ . 1 . 2]" 1
13 1 6 PHE QR 1 7 THR MG . . 8.400 4.429 3.700 5.162 . 0 0 "[ . 1 . 2]" 1
14 1 7 THR H 1 7 THR HA . . 2.700 2.757 2.697 2.904 0.204 3 0 "[ . 1 . 2]" 1
15 1 7 THR H 1 7 THR HB . . 3.100 2.277 2.097 3.113 0.013 3 0 "[ . 1 . 2]" 1
16 1 7 THR H 1 7 THR MG . . 3.400 2.688 2.344 2.802 . 0 0 "[ . 1 . 2]" 1
17 1 7 THR HA 1 7 THR MG . . 3.700 3.196 3.185 3.222 . 0 0 "[ . 1 . 2]" 1
18 1 7 THR HA 1 8 SER H . . 2.700 2.377 2.156 2.640 . 0 0 "[ . 1 . 2]" 1
19 1 7 THR HA 1 10 TYR CG . . 6.000 5.093 4.111 6.025 0.025 1 0 "[ . 1 . 2]" 1
20 1 7 THR MG 1 8 SER H . . 5.000 3.279 2.654 4.056 . 0 0 "[ . 1 . 2]" 1
21 1 7 THR MG 1 10 TYR CG . . 8.000 6.223 3.244 6.658 . 0 0 "[ . 1 . 2]" 1
22 1 8 SER H 1 8 SER QB . . 3.300 2.849 2.063 3.033 . 0 0 "[ . 1 . 2]" 1
23 1 8 SER HA 1 9 ASP H . . 2.700 2.484 2.264 2.797 0.097 1 0 "[ . 1 . 2]" 1
24 1 9 ASP H 1 9 ASP QB . . 3.300 2.788 2.073 3.032 . 0 0 "[ . 1 . 2]" 1
25 1 9 ASP QB 1 10 TYR CG . . 7.000 5.236 3.986 6.087 . 0 0 "[ . 1 . 2]" 1
26 1 9 ASP QB 1 10 TYR H . . 4.100 3.037 2.054 3.759 . 0 0 "[ . 1 . 2]" 1
27 1 10 TYR CG 1 11 SER HA . . 7.000 4.941 3.647 6.323 . 0 0 "[ . 1 . 2]" 1
28 1 10 TYR CG 1 14 LEU QD . . 7.400 3.994 2.830 5.506 . 0 0 "[ . 1 . 2]" 1
29 1 10 TYR CZ 1 14 LEU QD . . 7.400 4.442 2.632 5.422 . 0 0 "[ . 1 . 2]" 1
30 1 10 TYR H 1 10 TYR QB . . 3.300 2.398 1.922 2.841 . 0 0 "[ . 1 . 2]" 1
31 1 10 TYR HA 1 13 TYR CG . . 6.000 5.518 4.541 6.002 0.002 15 0 "[ . 1 . 2]" 1
32 1 11 SER H 1 11 SER HA . . 2.400 2.324 2.169 2.614 0.214 11 0 "[ . 1 . 2]" 1
33 1 11 SER H 1 12 LYS H . . 3.100 3.017 2.654 3.131 0.031 19 0 "[ . 1 . 2]" 1
34 1 11 SER HA 1 14 LEU QB . . 6.000 4.059 1.990 5.365 . 0 0 "[ . 1 . 2]" 1
35 1 11 SER HA 1 14 LEU QD . . 5.400 2.838 1.838 3.746 . 0 0 "[ . 1 . 2]" 1
36 1 11 SER HA 1 14 LEU HG . . 5.000 3.886 2.004 5.007 0.007 19 0 "[ . 1 . 2]" 1
37 1 12 LYS H 1 12 LYS HA . . 2.400 2.489 2.209 2.708 0.308 13 0 "[ . 1 . 2]" 1
38 1 12 LYS H 1 12 LYS QG . . 4.100 2.962 2.017 3.795 . 0 0 "[ . 1 . 2]" 1
39 1 12 LYS H 1 13 TYR H . . 4.000 3.008 2.030 3.663 . 0 0 "[ . 1 . 2]" 1
40 1 12 LYS HA 1 12 LYS QD . . 5.000 3.759 2.840 4.384 . 0 0 "[ . 1 . 2]" 1
41 1 12 LYS HA 1 13 TYR CG . . 7.000 6.208 5.682 7.001 0.001 1 0 "[ . 1 . 2]" 1
42 1 12 LYS QB 1 13 TYR CG . . 8.000 4.781 3.540 6.350 . 0 0 "[ . 1 . 2]" 1
43 1 12 LYS QB 1 13 TYR H . . 4.100 2.924 2.291 3.767 . 0 0 "[ . 1 . 2]" 1
44 1 13 TYR CG 1 14 LEU QD . . 9.400 5.195 3.421 6.692 . 0 0 "[ . 1 . 2]" 1
45 1 13 TYR H 1 13 TYR QB . . 3.700 2.349 1.955 2.981 . 0 0 "[ . 1 . 2]" 1
46 1 14 LEU H 1 14 LEU MD1 . . 5.000 3.589 1.858 4.176 . 0 0 "[ . 1 . 2]" 1
47 1 14 LEU H 1 14 LEU MD2 . . 5.000 3.395 1.869 4.138 . 0 0 "[ . 1 . 2]" 1
48 1 14 LEU HA 1 14 LEU QD . . 4.100 2.395 1.907 3.269 . 0 0 "[ . 1 . 2]" 1
49 1 14 LEU HA 1 15 ASP H . . 2.700 2.330 2.177 2.708 0.008 8 0 "[ . 1 . 2]" 1
50 1 14 LEU QD 1 15 ASP H . . 7.400 3.225 2.180 4.187 . 0 0 "[ . 1 . 2]" 1
51 1 15 ASP H 1 15 ASP QB . . 3.300 2.464 1.987 2.954 . 0 0 "[ . 1 . 2]" 1
52 1 16 SER HA 1 17 ARG H . . 2.700 2.329 2.214 2.669 . 0 0 "[ . 1 . 2]" 1
53 1 17 ARG H 1 17 ARG QB . . 3.300 2.673 2.020 2.997 . 0 0 "[ . 1 . 2]" 1
54 1 17 ARG H 1 18 ARG H . . 3.100 2.377 1.897 3.065 . 0 0 "[ . 1 . 2]" 1
55 1 17 ARG HA 1 20 GLN QB . . 5.000 3.864 2.040 4.338 . 0 0 "[ . 1 . 2]" 1
56 1 18 ARG H 1 18 ARG HA . . 2.700 2.699 2.643 2.771 0.071 2 0 "[ . 1 . 2]" 1
57 1 18 ARG H 1 18 ARG QB . . 3.300 2.108 2.006 2.366 . 0 0 "[ . 1 . 2]" 1
58 1 18 ARG H 1 18 ARG QG . . 4.100 3.094 2.403 3.824 . 0 0 "[ . 1 . 2]" 1
59 1 18 ARG H 1 19 ALA H . . 3.100 3.043 2.908 3.114 0.014 14 0 "[ . 1 . 2]" 1
60 1 19 ALA H 1 19 ALA HA . . 2.700 2.824 2.795 2.941 0.241 16 0 "[ . 1 . 2]" 1
61 1 19 ALA H 1 19 ALA MB . . 3.000 2.114 1.943 2.477 . 0 0 "[ . 1 . 2]" 1
62 1 19 ALA HA 1 20 GLN H . . 3.100 2.902 2.218 3.434 0.334 15 0 "[ . 1 . 2]" 1
63 1 19 ALA HA 1 22 PHE H . . 4.000 4.039 3.485 4.160 0.160 2 0 "[ . 1 . 2]" 1
64 1 19 ALA HA 1 22 PHE QB . . 6.000 3.034 2.428 4.475 . 0 0 "[ . 1 . 2]" 1
65 1 19 ALA HA 1 22 PHE QR . . 7.400 4.265 2.831 5.728 . 0 0 "[ . 1 . 2]" 1
66 1 19 ALA MB 1 20 GLN H . . 3.700 2.282 1.807 3.205 . 0 0 "[ . 1 . 2]" 1
67 1 19 ALA MB 1 22 PHE QB . . 6.000 3.583 2.565 3.934 . 0 0 "[ . 1 . 2]" 1
68 1 19 ALA MB 1 22 PHE QR . . 8.400 4.759 2.445 5.341 . 0 0 "[ . 1 . 2]" 1
69 1 19 ALA MB 1 23 VAL HA . . 5.000 3.939 3.873 4.030 . 0 0 "[ . 1 . 2]" 1
70 1 20 GLN H 1 20 GLN HA . . 2.700 2.397 2.170 2.888 0.188 19 0 "[ . 1 . 2]" 1
71 1 20 GLN H 1 20 GLN QB . . 3.300 2.898 2.096 3.081 . 0 0 "[ . 1 . 2]" 1
72 1 20 GLN HA 1 21 ASP H . . 3.100 2.809 2.202 3.247 0.147 20 0 "[ . 1 . 2]" 1
73 1 20 GLN HA 1 23 VAL H . . 4.000 3.950 3.749 4.073 0.073 16 0 "[ . 1 . 2]" 1
74 1 20 GLN HA 1 23 VAL QG . . 6.400 2.942 2.375 4.638 . 0 0 "[ . 1 . 2]" 1
75 1 20 GLN QB 1 21 ASP H . . 4.100 3.088 1.878 3.792 . 0 0 "[ . 1 . 2]" 1
76 1 21 ASP H 1 21 ASP HA . . 2.700 2.549 2.167 2.907 0.207 7 0 "[ . 1 . 2]" 1
77 1 21 ASP HA 1 24 GLN H . . 4.000 4.021 3.777 4.101 0.101 1 0 "[ . 1 . 2]" 1
78 1 21 ASP HA 1 24 GLN QB . . 5.000 3.662 3.164 4.302 . 0 0 "[ . 1 . 2]" 1
79 1 21 ASP QB 1 22 PHE H . . 4.100 2.787 2.271 3.651 . 0 0 "[ . 1 . 2]" 1
80 1 22 PHE H 1 22 PHE QB . . 3.300 2.022 1.881 2.467 . 0 0 "[ . 1 . 2]" 1
81 1 22 PHE HA 1 25 TRP H . . 5.000 4.084 3.956 4.441 . 0 0 "[ . 1 . 2]" 1
82 1 22 PHE HA 1 25 TRP HE3 . . 5.000 4.827 4.445 5.005 0.005 16 0 "[ . 1 . 2]" 1
83 1 22 PHE QB 1 23 VAL H . . 4.100 2.906 2.507 3.136 . 0 0 "[ . 1 . 2]" 1
84 1 22 PHE QB 1 26 LEU QD . . 6.400 2.444 2.142 3.365 . 0 0 "[ . 1 . 2]" 1
85 1 22 PHE QR 1 23 VAL H . . 7.400 4.546 3.787 4.727 . 0 0 "[ . 1 . 2]" 1
86 1 22 PHE QR 1 23 VAL HA . . 7.400 5.098 4.669 5.640 . 0 0 "[ . 1 . 2]" 1
87 1 22 PHE QR 1 23 VAL QG . . 8.800 4.601 3.753 4.767 . 0 0 "[ . 1 . 2]" 1
88 1 22 PHE QR 1 26 LEU QD . . 7.800 2.382 1.748 4.087 . 0 0 "[ . 1 . 2]" 1
89 1 23 VAL H 1 23 VAL HA . . 2.700 2.788 2.761 2.919 0.219 7 0 "[ . 1 . 2]" 1
90 1 23 VAL H 1 23 VAL HB . . 2.700 2.458 2.141 2.667 . 0 0 "[ . 1 . 2]" 1
91 1 23 VAL HA 1 23 VAL MG2 . . 3.700 2.404 2.240 2.501 . 0 0 "[ . 1 . 2]" 1
92 1 23 VAL HA 1 24 GLN H . . 3.100 3.472 3.461 3.487 0.387 8 0 "[ . 1 . 2]" 1
93 1 23 VAL HA 1 26 LEU H . . 3.000 3.070 3.065 3.083 0.083 7 0 "[ . 1 . 2]" 1
94 1 23 VAL HA 1 26 LEU QD . . 5.400 2.394 1.959 3.174 . 0 0 "[ . 1 . 2]" 1
95 1 23 VAL HB 1 24 GLN H . . 3.100 3.235 3.190 3.332 0.232 10 0 "[ . 1 . 2]" 1
96 1 23 VAL QG 1 24 GLN H . . 7.400 3.547 3.456 3.578 . 0 0 "[ . 1 . 2]" 1
97 1 24 GLN H 1 24 GLN HA . . 2.700 2.846 2.828 2.854 0.154 20 0 "[ . 1 . 2]" 1
98 1 24 GLN H 1 24 GLN QB . . 3.300 2.099 2.034 2.476 . 0 0 "[ . 1 . 2]" 1
99 1 24 GLN H 1 25 TRP H . . 3.100 2.737 2.687 2.829 . 0 0 "[ . 1 . 2]" 1
100 1 24 GLN HA 1 25 TRP H . . 3.100 3.175 3.102 3.254 0.154 7 0 "[ . 1 . 2]" 1
101 1 24 GLN HA 1 27 MET H . . 4.000 3.902 3.680 4.025 0.025 8 0 "[ . 1 . 2]" 1
102 1 24 GLN HA 1 28 ASN H . . 4.000 3.776 3.116 4.010 0.010 20 0 "[ . 1 . 2]" 1
103 1 24 GLN QB 1 25 TRP H . . 4.100 3.657 3.561 3.735 . 0 0 "[ . 1 . 2]" 1
104 1 25 TRP H 1 25 TRP HA . . 2.700 2.938 2.932 2.942 0.242 8 0 "[ . 1 . 2]" 1
105 1 25 TRP H 1 25 TRP QB . . 3.300 2.512 2.380 2.573 . 0 0 "[ . 1 . 2]" 1
106 1 25 TRP H 1 25 TRP HE3 . . 5.000 4.509 4.335 4.583 . 0 0 "[ . 1 . 2]" 1
107 1 25 TRP H 1 26 LEU H . . 4.000 1.940 1.861 2.109 . 0 0 "[ . 1 . 2]" 1
108 1 25 TRP HA 1 25 TRP HD1 . . 2.400 2.743 2.708 2.827 0.427 20 0 "[ . 1 . 2]" 1
109 1 25 TRP QB 1 26 LEU H . . 4.100 2.514 2.438 2.632 . 0 0 "[ . 1 . 2]" 1
110 1 25 TRP HD1 1 26 LEU QD . . 6.400 4.743 4.724 4.753 . 0 0 "[ . 1 . 2]" 1
111 1 25 TRP HE3 1 26 LEU H . . 4.000 3.369 3.310 3.417 . 0 0 "[ . 1 . 2]" 1
112 1 25 TRP HE3 1 26 LEU HA . . 5.000 4.026 3.987 4.131 . 0 0 "[ . 1 . 2]" 1
113 1 25 TRP HE3 1 26 LEU QB . . 6.000 4.301 4.136 4.438 . 0 0 "[ . 1 . 2]" 1
114 1 25 TRP HE3 1 26 LEU QD . . 5.400 1.698 1.666 1.807 . 0 0 "[ . 1 . 2]" 1
115 1 25 TRP HH2 1 26 LEU QD . . 7.400 3.602 3.383 3.696 . 0 0 "[ . 1 . 2]" 1
116 1 25 TRP HZ3 1 26 LEU HA . . 5.000 5.095 5.085 5.121 0.121 7 0 "[ . 1 . 2]" 1
117 1 25 TRP HZ3 1 26 LEU QB . . 6.000 5.285 5.180 5.326 . 0 0 "[ . 1 . 2]" 1
118 1 25 TRP HZ3 1 26 LEU QD . . 6.400 1.937 1.921 1.952 . 0 0 "[ . 1 . 2]" 1
119 1 26 LEU H 1 26 LEU HA . . 2.700 2.827 2.800 2.841 0.141 5 0 "[ . 1 . 2]" 1
120 1 26 LEU H 1 26 LEU QB . . 3.700 2.411 2.288 2.451 . 0 0 "[ . 1 . 2]" 1
121 1 26 LEU H 1 27 MET H . . 3.100 2.548 2.467 2.642 . 0 0 "[ . 1 . 2]" 1
122 1 26 LEU HA 1 26 LEU QD . . 4.100 1.935 1.873 1.967 . 0 0 "[ . 1 . 2]" 1
123 1 26 LEU QB 1 27 MET H . . 4.100 3.095 2.574 3.334 . 0 0 "[ . 1 . 2]" 1
124 1 26 LEU QD 1 27 MET H . . 7.400 3.609 3.359 3.814 . 0 0 "[ . 1 . 2]" 1
125 1 26 LEU QD 1 27 MET ME . . 8.400 4.680 3.555 5.131 . 0 0 "[ . 1 . 2]" 1
126 1 27 MET H 1 27 MET HA . . 2.700 2.600 2.173 2.871 0.171 13 0 "[ . 1 . 2]" 1
127 1 27 MET H 1 27 MET QB . . 3.700 3.102 2.669 3.433 . 0 0 "[ . 1 . 2]" 1
128 1 27 MET H 1 27 MET QG . . 4.100 3.181 2.492 3.729 . 0 0 "[ . 1 . 2]" 1
129 1 27 MET H 1 28 ASN H . . 3.100 2.839 1.874 3.156 0.056 8 0 "[ . 1 . 2]" 1
130 1 27 MET HA 1 28 ASN H . . 3.100 2.500 2.306 2.970 . 0 0 "[ . 1 . 2]" 1
131 1 27 MET QG 1 28 ASN H . . 6.000 4.312 3.686 4.806 . 0 0 "[ . 1 . 2]" 1
132 1 28 ASN H 1 28 ASN QB . . 3.300 2.506 2.055 3.093 . 0 0 "[ . 1 . 2]" 1
133 1 28 ASN QB 1 29 THR H . . 3.700 2.572 2.066 3.284 . 0 0 "[ . 1 . 2]" 1
134 1 29 THR H 1 29 THR HA . . 2.400 2.277 2.241 2.658 0.258 16 0 "[ . 1 . 2]" 1
135 1 29 THR H 1 29 THR HB . . 4.000 3.830 2.925 3.953 . 0 0 "[ . 1 . 2]" 1
136 1 29 THR H 1 29 THR MG . . 4.100 2.690 2.214 3.485 . 0 0 "[ . 1 . 2]" 1
137 1 29 THR HA 1 29 THR MG . . 3.000 2.297 2.036 2.496 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 7:58:51 PM GMT (wattos1)