NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605214 |
5giw   |
36009 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5giw
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 230
_Distance_constraint_stats_list.Viol_count 400
_Distance_constraint_stats_list.Viol_total 293.637
_Distance_constraint_stats_list.Viol_max 0.294
_Distance_constraint_stats_list.Viol_rms 0.0194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0367
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 2.248 0.266 15 0 "[ . 1 . 2]"
1 3 PRO 2.848 0.223 14 0 "[ . 1 . 2]"
1 4 ARG 2.395 0.266 15 0 "[ . 1 . 2]"
1 5 GLY 0.151 0.067 16 0 "[ . 1 . 2]"
1 6 PHE 0.537 0.085 16 0 "[ . 1 . 2]"
1 7 SER 0.188 0.024 16 0 "[ . 1 . 2]"
1 8 CYS 0.226 0.049 16 0 "[ . 1 . 2]"
1 9 LEU 0.450 0.085 16 0 "[ . 1 . 2]"
1 10 LEU 1.039 0.101 15 0 "[ . 1 . 2]"
1 11 LEU 0.082 0.019 16 0 "[ . 1 . 2]"
1 12 LEU 0.393 0.294 12 0 "[ . 1 . 2]"
1 13 THR 0.127 0.066 14 0 "[ . 1 . 2]"
1 15 GLU 0.578 0.091 18 0 "[ . 1 . 2]"
1 16 ILE 4.845 0.292 18 0 "[ . 1 . 2]"
1 17 ASP 2.154 0.174 7 0 "[ . 1 . 2]"
1 18 LEU 3.405 0.174 7 0 "[ . 1 . 2]"
1 19 PRO 2.309 0.118 8 0 "[ . 1 . 2]"
1 20 VAL 1.030 0.085 6 0 "[ . 1 . 2]"
1 21 LYS 0.518 0.057 17 0 "[ . 1 . 2]"
1 22 ARG 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 MET HA 1 2 ALA H 2.970 . 2.970 2.395 2.147 2.968 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 2 ALA H 4.590 . 4.590 3.488 2.478 4.050 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 2 ALA MB 3.280 . 3.280 2.560 2.031 2.872 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA H 1 3 PRO QD 5.350 . 5.350 3.725 2.470 4.380 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 3 PRO HD2 3.660 . 3.660 2.506 2.301 2.877 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 3 PRO QD 3.070 . 3.070 2.162 2.094 2.209 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA HA 1 3 PRO HD3 3.660 . 3.660 2.397 2.295 2.597 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 3 PRO HD2 4.000 . 4.000 2.791 2.073 3.916 . 0 0 "[ . 1 . 2]" 1
9 1 2 ALA MB 1 3 PRO QD 3.270 . 3.270 2.623 2.027 3.493 0.223 14 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 3 PRO HD3 4.000 . 4.000 3.432 2.864 3.991 . 0 0 "[ . 1 . 2]" 1
11 1 2 ALA MB 1 4 ARG H 5.500 . 5.500 4.116 2.664 5.766 0.266 15 0 "[ . 1 . 2]" 1
12 1 2 ALA MB 1 5 GLY H 5.170 . 5.170 4.410 2.878 5.237 0.067 16 0 "[ . 1 . 2]" 1
13 1 2 ALA MB 1 6 PHE QB 5.320 . 5.320 4.590 2.978 5.326 0.006 9 0 "[ . 1 . 2]" 1
14 1 3 PRO HA 1 4 ARG H 2.850 . 2.850 2.825 2.397 2.933 0.083 20 0 "[ . 1 . 2]" 1
15 1 3 PRO HA 1 4 ARG QB 5.500 . 5.500 4.090 3.763 4.751 . 0 0 "[ . 1 . 2]" 1
16 1 3 PRO QB 1 4 ARG H 3.980 . 3.980 3.117 1.888 3.993 0.013 3 0 "[ . 1 . 2]" 1
17 1 3 PRO QD 1 6 PHE QB 4.730 . 4.730 3.398 2.446 4.597 . 0 0 "[ . 1 . 2]" 1
18 1 3 PRO HD2 1 4 ARG H 5.500 . 5.500 4.353 3.488 5.375 . 0 0 "[ . 1 . 2]" 1
19 1 3 PRO HD3 1 4 ARG H 5.500 . 5.500 4.875 4.330 5.631 0.131 16 0 "[ . 1 . 2]" 1
20 1 3 PRO QG 1 4 ARG H 4.130 . 4.130 3.999 3.687 4.167 0.037 11 0 "[ . 1 . 2]" 1
21 1 3 PRO QG 1 5 GLY H 5.500 . 5.500 3.547 2.752 5.313 . 0 0 "[ . 1 . 2]" 1
22 1 3 PRO QG 1 6 PHE HB2 5.500 . 5.500 3.192 2.269 5.472 . 0 0 "[ . 1 . 2]" 1
23 1 3 PRO QG 1 6 PHE HB3 5.500 . 5.500 4.160 3.063 5.514 0.014 20 0 "[ . 1 . 2]" 1
24 1 4 ARG H 1 4 ARG QB 3.140 . 3.140 2.840 2.473 3.178 0.038 9 0 "[ . 1 . 2]" 1
25 1 4 ARG H 1 4 ARG HG2 4.890 . 4.890 3.979 2.190 4.882 . 0 0 "[ . 1 . 2]" 1
26 1 4 ARG H 1 4 ARG HG3 4.890 . 4.890 3.669 2.435 4.575 . 0 0 "[ . 1 . 2]" 1
27 1 4 ARG H 1 6 PHE H 5.500 . 5.500 5.013 4.530 5.505 0.005 16 0 "[ . 1 . 2]" 1
28 1 4 ARG H 1 7 SER H 5.500 . 5.500 4.894 4.442 5.524 0.024 16 0 "[ . 1 . 2]" 1
29 1 4 ARG H 1 8 CYS H 5.500 . 5.500 5.501 5.377 5.549 0.049 16 0 "[ . 1 . 2]" 1
30 1 4 ARG HA 1 5 GLY H 3.090 . 3.090 2.790 2.286 3.114 0.024 20 0 "[ . 1 . 2]" 1
31 1 4 ARG QB 1 5 GLY H 4.120 . 4.120 3.863 3.602 4.055 . 0 0 "[ . 1 . 2]" 1
32 1 4 ARG QB 1 5 GLY QA 4.500 . 4.500 4.083 3.947 4.387 . 0 0 "[ . 1 . 2]" 1
33 1 4 ARG QB 1 8 CYS QB 5.500 . 5.500 4.168 3.761 4.876 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLY H 1 6 PHE H 3.390 . 3.390 2.807 2.325 3.369 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLY H 1 6 PHE QB 5.340 . 5.340 4.112 3.892 4.607 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLY H 1 7 SER H 5.320 . 5.320 2.987 2.742 3.480 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLY H 1 7 SER QB 4.050 . 4.050 3.871 3.670 4.069 0.019 13 0 "[ . 1 . 2]" 1
38 1 5 GLY H 1 8 CYS H 5.480 . 5.480 3.058 2.691 3.571 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLY QA 1 9 LEU H 4.590 . 4.590 3.812 3.622 4.340 . 0 0 "[ . 1 . 2]" 1
40 1 6 PHE H 1 6 PHE HB2 3.540 . 3.540 2.091 2.064 2.202 . 0 0 "[ . 1 . 2]" 1
41 1 6 PHE H 1 6 PHE QB 2.860 . 2.860 2.071 2.043 2.181 . 0 0 "[ . 1 . 2]" 1
42 1 6 PHE H 1 6 PHE HB3 3.540 . 3.540 3.345 3.288 3.508 . 0 0 "[ . 1 . 2]" 1
43 1 6 PHE H 1 6 PHE QE 5.370 . 5.370 5.295 4.561 5.407 0.037 16 0 "[ . 1 . 2]" 1
44 1 6 PHE H 1 9 LEU H 4.950 . 4.950 4.951 4.901 5.035 0.085 16 0 "[ . 1 . 2]" 1
45 1 6 PHE HA 1 6 PHE QD 3.670 . 3.670 2.876 2.715 2.977 . 0 0 "[ . 1 . 2]" 1
46 1 6 PHE HA 1 6 PHE QE 4.660 . 4.660 4.315 4.260 4.435 . 0 0 "[ . 1 . 2]" 1
47 1 6 PHE HA 1 7 SER H 3.560 . 3.560 3.558 3.526 3.573 0.013 18 0 "[ . 1 . 2]" 1
48 1 6 PHE HA 1 8 CYS H 4.660 . 4.660 3.918 3.574 4.448 . 0 0 "[ . 1 . 2]" 1
49 1 6 PHE HA 1 9 LEU H 4.300 . 4.300 3.944 3.471 4.111 . 0 0 "[ . 1 . 2]" 1
50 1 6 PHE HA 1 9 LEU QB 4.540 . 4.540 4.528 4.434 4.547 0.007 5 0 "[ . 1 . 2]" 1
51 1 6 PHE HA 1 9 LEU MD1 4.260 . 4.260 3.985 3.812 4.268 0.008 13 0 "[ . 1 . 2]" 1
52 1 6 PHE HA 1 9 LEU HG 4.270 . 4.270 3.419 2.899 3.550 . 0 0 "[ . 1 . 2]" 1
53 1 6 PHE HA 1 10 LEU H 4.960 . 4.960 4.923 4.370 4.978 0.018 8 0 "[ . 1 . 2]" 1
54 1 6 PHE QB 1 7 SER H 3.640 . 3.640 2.536 2.217 2.797 . 0 0 "[ . 1 . 2]" 1
55 1 6 PHE QB 1 8 CYS H 5.330 . 5.330 4.221 3.979 4.517 . 0 0 "[ . 1 . 2]" 1
56 1 6 PHE QB 1 9 LEU MD2 5.340 . 5.340 3.933 3.870 4.106 . 0 0 "[ . 1 . 2]" 1
57 1 6 PHE QD 1 10 LEU MD2 4.830 . 4.830 4.616 3.946 4.832 0.002 11 0 "[ . 1 . 2]" 1
58 1 6 PHE QD 1 10 LEU HG 5.500 . 5.500 4.428 4.116 4.743 . 0 0 "[ . 1 . 2]" 1
59 1 6 PHE QE 1 10 LEU MD1 4.560 . 4.560 4.337 3.936 4.576 0.016 16 0 "[ . 1 . 2]" 1
60 1 6 PHE QE 1 10 LEU MD2 5.280 . 5.280 5.180 4.971 5.283 0.003 10 0 "[ . 1 . 2]" 1
61 1 7 SER H 1 7 SER HB2 3.620 . 3.620 2.507 2.163 3.015 . 0 0 "[ . 1 . 2]" 1
62 1 7 SER H 1 7 SER QB 3.110 . 3.110 2.260 2.142 2.731 . 0 0 "[ . 1 . 2]" 1
63 1 7 SER H 1 7 SER HB3 3.620 . 3.620 2.984 2.272 3.606 . 0 0 "[ . 1 . 2]" 1
64 1 7 SER H 1 8 CYS H 3.290 . 3.290 2.450 2.277 2.773 . 0 0 "[ . 1 . 2]" 1
65 1 7 SER H 1 10 LEU MD1 5.500 . 5.500 4.331 3.532 4.506 . 0 0 "[ . 1 . 2]" 1
66 1 7 SER HA 1 7 SER QB 2.510 . 2.510 2.400 2.235 2.513 0.003 2 0 "[ . 1 . 2]" 1
67 1 7 SER HA 1 10 LEU H 3.840 . 3.840 3.416 3.253 3.603 . 0 0 "[ . 1 . 2]" 1
68 1 7 SER HA 1 10 LEU HB2 3.010 . 3.010 2.576 2.341 2.909 . 0 0 "[ . 1 . 2]" 1
69 1 7 SER HA 1 10 LEU HB3 4.490 . 4.490 4.160 3.836 4.452 . 0 0 "[ . 1 . 2]" 1
70 1 7 SER HA 1 10 LEU MD2 4.890 . 4.890 4.702 4.432 4.880 . 0 0 "[ . 1 . 2]" 1
71 1 7 SER HA 1 10 LEU HG 3.990 . 3.990 3.555 3.300 4.007 0.017 13 0 "[ . 1 . 2]" 1
72 1 7 SER QB 1 8 CYS H 3.740 . 3.740 3.300 2.860 3.569 . 0 0 "[ . 1 . 2]" 1
73 1 7 SER QB 1 8 CYS QB 4.590 . 4.590 4.312 4.209 4.427 . 0 0 "[ . 1 . 2]" 1
74 1 7 SER QB 1 9 LEU H 5.340 . 5.340 5.204 4.999 5.357 0.017 9 0 "[ . 1 . 2]" 1
75 1 7 SER HB2 1 8 CYS H 4.390 . 4.390 3.919 2.916 4.403 0.013 19 0 "[ . 1 . 2]" 1
76 1 7 SER HB3 1 8 CYS H 4.390 . 4.390 3.728 3.235 4.257 . 0 0 "[ . 1 . 2]" 1
77 1 8 CYS H 1 8 CYS QB 3.190 . 3.190 2.237 2.053 2.395 . 0 0 "[ . 1 . 2]" 1
78 1 8 CYS H 1 9 LEU H 3.180 . 3.180 2.406 2.092 2.816 . 0 0 "[ . 1 . 2]" 1
79 1 8 CYS H 1 11 LEU H 4.790 . 4.790 4.718 4.519 4.805 0.015 13 0 "[ . 1 . 2]" 1
80 1 8 CYS HA 1 10 LEU H 4.800 . 4.800 4.040 3.871 4.199 . 0 0 "[ . 1 . 2]" 1
81 1 8 CYS HA 1 11 LEU H 3.840 . 3.840 3.563 3.372 3.846 0.006 9 0 "[ . 1 . 2]" 1
82 1 8 CYS HA 1 11 LEU QB 3.520 . 3.520 2.989 2.749 3.386 . 0 0 "[ . 1 . 2]" 1
83 1 8 CYS QB 1 9 LEU H 3.700 . 3.700 2.696 2.321 3.289 . 0 0 "[ . 1 . 2]" 1
84 1 9 LEU H 1 9 LEU QB 3.160 . 3.160 2.530 2.455 2.586 . 0 0 "[ . 1 . 2]" 1
85 1 9 LEU H 1 9 LEU HG 3.150 . 3.150 2.156 2.073 2.342 . 0 0 "[ . 1 . 2]" 1
86 1 9 LEU H 1 10 LEU H 3.020 . 3.020 2.472 2.389 2.592 . 0 0 "[ . 1 . 2]" 1
87 1 9 LEU H 1 10 LEU HB2 4.800 . 4.800 4.625 4.498 4.754 . 0 0 "[ . 1 . 2]" 1
88 1 9 LEU H 1 10 LEU HG 5.100 . 5.100 4.063 3.826 4.716 . 0 0 "[ . 1 . 2]" 1
89 1 9 LEU HA 1 12 LEU H 3.960 . 3.960 3.549 3.159 3.874 . 0 0 "[ . 1 . 2]" 1
90 1 9 LEU HA 1 13 THR MG 4.690 . 4.690 4.442 3.983 4.700 0.010 9 0 "[ . 1 . 2]" 1
91 1 9 LEU QB 1 10 LEU H 3.900 . 3.900 3.658 3.562 3.798 . 0 0 "[ . 1 . 2]" 1
92 1 9 LEU MD1 1 13 THR MG 3.920 . 3.920 3.549 2.885 3.926 0.006 15 0 "[ . 1 . 2]" 1
93 1 9 LEU MD2 1 10 LEU HA 5.160 . 5.160 5.148 4.983 5.192 0.032 15 0 "[ . 1 . 2]" 1
94 1 9 LEU HG 1 10 LEU HA 5.500 . 5.500 3.888 3.675 3.939 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU HG 1 11 LEU H 4.700 . 4.700 4.463 4.349 4.654 . 0 0 "[ . 1 . 2]" 1
96 1 10 LEU H 1 10 LEU HB2 3.150 . 3.150 2.393 2.235 2.446 . 0 0 "[ . 1 . 2]" 1
97 1 10 LEU H 1 10 LEU HB3 3.790 . 3.790 3.599 3.529 3.627 . 0 0 "[ . 1 . 2]" 1
98 1 10 LEU H 1 10 LEU MD2 4.090 . 4.090 3.616 3.435 4.084 . 0 0 "[ . 1 . 2]" 1
99 1 10 LEU H 1 10 LEU HG 3.130 . 3.130 2.457 2.266 2.844 . 0 0 "[ . 1 . 2]" 1
100 1 10 LEU H 1 11 LEU H 3.230 . 3.230 2.370 2.231 2.520 . 0 0 "[ . 1 . 2]" 1
101 1 10 LEU H 1 16 ILE H 5.500 . 5.500 5.532 5.493 5.601 0.101 15 0 "[ . 1 . 2]" 1
102 1 10 LEU HA 1 10 LEU MD2 3.150 . 3.150 2.136 2.124 2.283 . 0 0 "[ . 1 . 2]" 1
103 1 10 LEU HA 1 12 LEU H 5.500 . 5.500 4.185 3.431 5.080 . 0 0 "[ . 1 . 2]" 1
104 1 10 LEU HA 1 13 THR MG 4.520 . 4.520 3.224 2.266 4.151 . 0 0 "[ . 1 . 2]" 1
105 1 10 LEU HA 1 15 GLU H 4.340 . 4.340 3.973 3.395 4.374 0.034 5 0 "[ . 1 . 2]" 1
106 1 10 LEU HA 1 15 GLU HB2 4.730 . 4.730 2.930 2.439 3.472 . 0 0 "[ . 1 . 2]" 1
107 1 10 LEU HA 1 15 GLU QB 3.960 . 3.960 2.878 2.415 3.391 . 0 0 "[ . 1 . 2]" 1
108 1 10 LEU HA 1 15 GLU HB3 4.730 . 4.730 4.230 3.883 4.749 0.019 15 0 "[ . 1 . 2]" 1
109 1 10 LEU HA 1 15 GLU HG2 5.460 . 5.460 4.864 3.775 5.390 . 0 0 "[ . 1 . 2]" 1
110 1 10 LEU HA 1 15 GLU QG 4.780 . 4.780 3.869 2.737 4.364 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU HA 1 15 GLU HG3 5.460 . 5.460 4.126 2.761 5.112 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU HA 1 16 ILE H 5.500 . 5.500 4.315 3.744 4.769 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU HB2 1 11 LEU H 3.360 . 3.360 3.003 2.496 3.237 . 0 0 "[ . 1 . 2]" 1
114 1 10 LEU HB3 1 10 LEU MD2 3.650 . 3.650 2.241 2.191 2.250 . 0 0 "[ . 1 . 2]" 1
115 1 10 LEU HB3 1 11 LEU H 4.070 . 4.070 3.891 3.519 4.078 0.008 5 0 "[ . 1 . 2]" 1
116 1 10 LEU HB3 1 11 LEU HA 5.500 . 5.500 4.496 4.221 4.609 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU HB3 1 15 GLU QB 5.340 . 5.340 2.279 2.090 2.947 . 0 0 "[ . 1 . 2]" 1
118 1 10 LEU HB3 1 16 ILE H 5.140 . 5.140 2.792 2.095 3.300 . 0 0 "[ . 1 . 2]" 1
119 1 10 LEU MD2 1 11 LEU H 5.500 . 5.500 4.717 4.632 4.822 . 0 0 "[ . 1 . 2]" 1
120 1 10 LEU MD2 1 15 GLU H 5.500 . 5.500 4.321 3.873 4.840 . 0 0 "[ . 1 . 2]" 1
121 1 10 LEU MD2 1 15 GLU HB2 3.980 . 3.980 2.547 2.219 3.217 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU MD2 1 15 GLU HB3 3.980 . 3.980 2.881 2.195 3.631 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU MD2 1 15 GLU HG2 4.480 . 4.480 3.823 2.279 4.322 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU MD2 1 15 GLU QG 3.830 . 3.830 2.582 2.238 3.076 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU MD2 1 15 GLU HG3 4.480 . 4.480 2.693 2.260 3.664 . 0 0 "[ . 1 . 2]" 1
126 1 10 LEU MD2 1 16 ILE H 5.500 . 5.500 4.234 3.140 4.761 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU HG 1 11 LEU H 5.150 . 5.150 4.438 4.233 4.683 . 0 0 "[ . 1 . 2]" 1
128 1 11 LEU H 1 11 LEU HB2 3.560 . 3.560 2.395 2.074 2.686 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU H 1 11 LEU QB 3.010 . 3.010 2.216 2.052 2.305 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU H 1 11 LEU HB3 3.560 . 3.560 2.810 2.472 3.409 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU H 1 11 LEU QD 4.410 . 4.410 3.573 2.227 3.781 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU H 1 12 LEU H 3.240 . 3.240 2.465 2.298 2.787 . 0 0 "[ . 1 . 2]" 1
133 1 11 LEU H 1 13 THR MG 5.500 . 5.500 4.930 4.054 5.504 0.004 7 0 "[ . 1 . 2]" 1
134 1 11 LEU H 1 16 ILE H 4.830 . 4.830 4.559 4.179 4.849 0.019 16 0 "[ . 1 . 2]" 1
135 1 11 LEU H 1 16 ILE QG 5.500 . 5.500 4.861 3.245 5.515 0.015 7 0 "[ . 1 . 2]" 1
136 1 11 LEU HA 1 11 LEU QD 3.160 . 3.160 2.491 2.181 2.998 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU QB 1 12 LEU H 3.930 . 3.930 2.786 2.003 3.289 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU QD 1 12 LEU H 4.740 . 4.740 3.783 2.801 4.376 . 0 0 "[ . 1 . 2]" 1
139 1 12 LEU H 1 12 LEU QB 3.520 . 3.520 2.219 2.066 2.578 . 0 0 "[ . 1 . 2]" 1
140 1 12 LEU H 1 12 LEU HG 3.300 . 3.300 2.915 1.853 3.594 0.294 12 0 "[ . 1 . 2]" 1
141 1 12 LEU H 1 13 THR H 3.350 . 3.350 2.680 2.096 2.974 . 0 0 "[ . 1 . 2]" 1
142 1 12 LEU H 1 13 THR MG 4.870 . 4.870 3.877 3.188 4.693 . 0 0 "[ . 1 . 2]" 1
143 1 12 LEU QB 1 13 THR MG 3.530 . 3.530 3.001 2.541 3.596 0.066 14 0 "[ . 1 . 2]" 1
144 1 13 THR H 1 13 THR HB 4.040 . 4.040 3.658 3.509 3.899 . 0 0 "[ . 1 . 2]" 1
145 1 13 THR H 1 13 THR MG 3.220 . 3.220 2.267 1.760 3.072 . 0 0 "[ . 1 . 2]" 1
146 1 13 THR H 1 15 GLU H 4.290 . 4.290 3.804 3.227 4.298 0.008 11 0 "[ . 1 . 2]" 1
147 1 13 THR HA 1 13 THR MG 2.790 . 2.790 2.438 2.233 2.787 . 0 0 "[ . 1 . 2]" 1
148 1 13 THR HB 1 15 GLU HG2 5.450 . 5.450 4.304 3.579 4.909 . 0 0 "[ . 1 . 2]" 1
149 1 13 THR HB 1 15 GLU QG 4.640 . 4.640 4.020 3.183 4.547 . 0 0 "[ . 1 . 2]" 1
150 1 13 THR HB 1 15 GLU HG3 5.450 . 5.450 4.866 3.566 5.458 0.008 8 0 "[ . 1 . 2]" 1
151 1 13 THR MG 1 15 GLU QG 5.160 . 5.160 4.116 3.551 4.679 . 0 0 "[ . 1 . 2]" 1
152 1 15 GLU H 1 15 GLU HB2 3.640 . 3.640 2.197 2.075 2.600 . 0 0 "[ . 1 . 2]" 1
153 1 15 GLU H 1 15 GLU QB 3.030 . 3.030 2.173 2.057 2.543 . 0 0 "[ . 1 . 2]" 1
154 1 15 GLU H 1 15 GLU HB3 3.640 . 3.640 3.453 3.349 3.641 0.001 13 0 "[ . 1 . 2]" 1
155 1 15 GLU H 1 15 GLU HG2 4.100 . 4.100 3.273 2.328 4.105 0.005 11 0 "[ . 1 . 2]" 1
156 1 15 GLU H 1 15 GLU HG3 4.100 . 4.100 3.986 2.656 4.125 0.025 14 0 "[ . 1 . 2]" 1
157 1 15 GLU H 1 16 ILE H 3.180 . 3.180 2.649 1.937 3.072 . 0 0 "[ . 1 . 2]" 1
158 1 15 GLU H 1 16 ILE QG 5.500 . 5.500 4.758 4.278 5.591 0.091 18 0 "[ . 1 . 2]" 1
159 1 15 GLU H 1 17 ASP H 5.280 . 5.280 4.672 3.617 5.290 0.010 9 0 "[ . 1 . 2]" 1
160 1 15 GLU HA 1 15 GLU HG2 3.730 . 3.730 2.419 2.343 3.565 . 0 0 "[ . 1 . 2]" 1
161 1 15 GLU HA 1 15 GLU HG3 3.730 . 3.730 3.475 2.354 3.692 . 0 0 "[ . 1 . 2]" 1
162 1 15 GLU HA 1 17 ASP H 4.800 . 4.800 4.123 3.488 4.745 . 0 0 "[ . 1 . 2]" 1
163 1 15 GLU QB 1 16 ILE HA 5.090 . 5.090 3.891 3.760 4.046 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLU HB2 1 16 ILE H 4.500 . 4.500 2.647 2.040 2.845 . 0 0 "[ . 1 . 2]" 1
165 1 15 GLU HB3 1 16 ILE H 4.500 . 4.500 2.817 2.300 3.475 . 0 0 "[ . 1 . 2]" 1
166 1 15 GLU HG2 1 16 ILE H 5.500 . 5.500 4.688 4.284 4.849 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLU HG3 1 16 ILE H 5.500 . 5.500 4.783 3.983 5.048 . 0 0 "[ . 1 . 2]" 1
168 1 16 ILE H 1 16 ILE HB 3.250 . 3.250 2.589 2.455 2.703 . 0 0 "[ . 1 . 2]" 1
169 1 16 ILE H 1 16 ILE MD 4.150 . 4.150 3.601 2.534 4.279 0.129 19 0 "[ . 1 . 2]" 1
170 1 16 ILE H 1 16 ILE QG 3.650 . 3.650 2.618 1.926 3.915 0.265 19 0 "[ . 1 . 2]" 1
171 1 16 ILE H 1 16 ILE MG 3.900 . 3.900 3.422 1.917 3.841 . 0 0 "[ . 1 . 2]" 1
172 1 16 ILE H 1 17 ASP H 3.630 . 3.630 3.468 3.060 3.666 0.036 9 0 "[ . 1 . 2]" 1
173 1 16 ILE H 1 17 ASP QB 5.340 . 5.340 4.478 4.209 4.834 . 0 0 "[ . 1 . 2]" 1
174 1 16 ILE HA 1 16 ILE MD 3.930 . 3.930 3.016 2.079 3.853 . 0 0 "[ . 1 . 2]" 1
175 1 16 ILE HA 1 16 ILE QG 3.620 . 3.620 2.614 2.300 3.141 . 0 0 "[ . 1 . 2]" 1
176 1 16 ILE HA 1 16 ILE MG 2.860 . 2.860 2.448 2.226 3.152 0.292 18 0 "[ . 1 . 2]" 1
177 1 16 ILE HA 1 17 ASP H 2.850 . 2.850 2.589 2.377 2.879 0.029 17 0 "[ . 1 . 2]" 1
178 1 16 ILE HB 1 17 ASP H 4.580 . 4.580 4.439 4.315 4.603 0.023 18 0 "[ . 1 . 2]" 1
179 1 16 ILE MD 1 17 ASP H 5.500 . 5.500 4.975 4.015 5.612 0.112 20 0 "[ . 1 . 2]" 1
180 1 16 ILE QG 1 17 ASP H 4.870 . 4.870 4.508 4.146 4.875 0.005 16 0 "[ . 1 . 2]" 1
181 1 16 ILE MG 1 17 ASP H 3.930 . 3.930 3.749 3.419 3.970 0.040 15 0 "[ . 1 . 2]" 1
182 1 16 ILE MG 1 17 ASP QB 5.340 . 5.340 4.856 3.956 5.165 . 0 0 "[ . 1 . 2]" 1
183 1 16 ILE MG 1 18 LEU H 4.520 . 4.520 3.793 2.705 4.585 0.065 13 0 "[ . 1 . 2]" 1
184 1 17 ASP H 1 17 ASP HB2 3.550 . 3.550 2.734 2.245 3.614 0.064 8 0 "[ . 1 . 2]" 1
185 1 17 ASP H 1 17 ASP QB 3.090 . 3.090 2.446 2.219 3.094 0.004 8 0 "[ . 1 . 2]" 1
186 1 17 ASP H 1 17 ASP HB3 3.550 . 3.550 3.074 2.334 3.548 . 0 0 "[ . 1 . 2]" 1
187 1 17 ASP H 1 18 LEU H 3.320 . 3.320 2.405 1.744 3.262 . 0 0 "[ . 1 . 2]" 1
188 1 17 ASP H 1 18 LEU HA 5.270 . 5.270 4.692 4.500 4.944 . 0 0 "[ . 1 . 2]" 1
189 1 17 ASP HA 1 18 LEU H 3.500 . 3.500 3.130 2.700 3.540 0.040 20 0 "[ . 1 . 2]" 1
190 1 17 ASP QB 1 18 LEU MD1 5.340 . 5.340 4.989 3.880 5.471 0.131 8 0 "[ . 1 . 2]" 1
191 1 17 ASP HB2 1 18 LEU H 4.370 . 4.370 4.168 3.236 4.414 0.044 5 0 "[ . 1 . 2]" 1
192 1 17 ASP HB3 1 18 LEU H 4.370 . 4.370 3.951 2.579 4.544 0.174 7 0 "[ . 1 . 2]" 1
193 1 18 LEU H 1 18 LEU QB 2.890 . 2.890 2.891 2.873 2.901 0.011 5 0 "[ . 1 . 2]" 1
194 1 18 LEU H 1 18 LEU MD1 4.380 . 4.380 3.561 3.535 3.612 . 0 0 "[ . 1 . 2]" 1
195 1 18 LEU H 1 18 LEU MD2 4.110 . 4.110 2.450 2.338 2.759 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU H 1 18 LEU HG 3.490 . 3.490 1.816 1.780 1.881 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU H 1 19 PRO HD2 3.900 . 3.900 1.894 1.799 1.943 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU H 1 19 PRO HD3 3.900 . 3.900 2.045 1.852 2.135 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU H 1 20 VAL H 4.320 . 4.320 3.771 3.468 4.032 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU HA 1 18 LEU MD1 4.150 . 4.150 3.934 3.917 3.983 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU HA 1 18 LEU MD2 3.110 . 3.110 2.345 2.286 2.508 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU HA 1 18 LEU HG 3.670 . 3.670 3.522 3.471 3.544 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU HA 1 19 PRO QD 3.490 . 3.490 3.497 3.460 3.511 0.021 7 0 "[ . 1 . 2]" 1
204 1 18 LEU HA 1 21 LYS HB2 5.500 . 5.500 4.674 3.599 5.557 0.057 17 0 "[ . 1 . 2]" 1
205 1 18 LEU HA 1 21 LYS HB3 5.500 . 5.500 5.032 3.653 5.528 0.028 11 0 "[ . 1 . 2]" 1
206 1 18 LEU QB 1 19 PRO HD2 4.510 . 4.510 3.592 3.559 3.657 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU QB 1 19 PRO HD3 4.510 . 4.510 2.296 2.288 2.312 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU MD1 1 19 PRO HB3 5.500 . 5.500 5.448 5.349 5.553 0.053 11 0 "[ . 1 . 2]" 1
209 1 18 LEU MD1 1 19 PRO HD2 4.520 . 4.520 4.606 4.593 4.638 0.118 8 0 "[ . 1 . 2]" 1
210 1 18 LEU MD1 1 19 PRO QD 3.960 . 3.960 3.262 3.150 3.316 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU MD1 1 19 PRO HD3 4.520 . 4.520 3.337 3.209 3.401 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU MD2 1 19 PRO HD2 4.340 . 4.340 4.085 3.983 4.349 0.009 5 0 "[ . 1 . 2]" 1
213 1 18 LEU MD2 1 19 PRO QD 3.750 . 3.750 3.480 3.447 3.575 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU MD2 1 19 PRO HD3 4.340 . 4.340 3.773 3.758 3.811 . 0 0 "[ . 1 . 2]" 1
215 1 18 LEU HG 1 19 PRO HD2 4.080 . 4.080 3.288 3.224 3.426 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU HG 1 19 PRO HD3 4.080 . 4.080 2.328 2.321 2.345 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU HG 1 20 VAL H 5.500 . 5.500 5.305 5.075 5.493 . 0 0 "[ . 1 . 2]" 1
218 1 19 PRO HA 1 20 VAL H 3.540 . 3.540 3.232 3.027 3.572 0.032 14 0 "[ . 1 . 2]" 1
219 1 19 PRO HB3 1 20 VAL H 4.610 . 4.610 4.501 3.892 4.644 0.034 5 0 "[ . 1 . 2]" 1
220 1 19 PRO QD 1 20 VAL H 4.090 . 4.090 2.730 2.052 3.146 . 0 0 "[ . 1 . 2]" 1
221 1 20 VAL H 1 20 VAL HB 3.530 . 3.530 3.169 2.525 3.615 0.085 6 0 "[ . 1 . 2]" 1
222 1 20 VAL H 1 20 VAL QG 3.180 . 3.180 2.036 1.719 2.741 . 0 0 "[ . 1 . 2]" 1
223 1 20 VAL H 1 21 LYS H 3.450 . 3.450 2.787 2.283 3.237 . 0 0 "[ . 1 . 2]" 1
224 1 20 VAL HA 1 20 VAL QG 3.060 . 3.060 2.184 2.026 2.297 . 0 0 "[ . 1 . 2]" 1
225 1 20 VAL HA 1 21 LYS H 2.930 . 2.930 2.888 2.531 2.984 0.054 11 0 "[ . 1 . 2]" 1
226 1 20 VAL HB 1 21 LYS H 4.640 . 4.640 4.419 4.097 4.639 . 0 0 "[ . 1 . 2]" 1
227 1 20 VAL QG 1 21 LYS H 3.710 . 3.710 3.407 3.239 3.734 0.024 7 0 "[ . 1 . 2]" 1
228 1 21 LYS H 1 21 LYS QB 3.190 . 3.190 2.610 2.115 2.910 . 0 0 "[ . 1 . 2]" 1
229 1 21 LYS H 1 21 LYS QG 4.550 . 4.550 3.925 2.068 4.219 . 0 0 "[ . 1 . 2]" 1
230 1 21 LYS QB 1 22 ARG H 3.370 . 3.370 2.456 1.797 3.346 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 9:37:27 PM GMT (wattos1)