NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378906 |
1hof   |
5143 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hof
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 261
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 6.681
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0080
_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 THR 0.010 0.005 19 0 "[ . 1 . 2]"
1 2 SER 0.011 0.005 19 0 "[ . 1 . 2]"
1 3 SER 0.007 0.006 18 0 "[ . 1 . 2]"
1 4 ILE 0.000 0.000 19 0 "[ . 1 . 2]"
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.109 0.033 9 0 "[ . 1 . 2]"
1 8 CYS 0.026 0.022 10 0 "[ . 1 . 2]"
1 9 ALA 0.004 0.004 11 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.043 0.022 10 0 "[ . 1 . 2]"
1 12 LEU 0.103 0.034 14 0 "[ . 1 . 2]"
1 13 ASP 0.002 0.002 17 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TRP 0.004 0.002 17 0 "[ . 1 . 2]"
1 17 SER 0.033 0.008 18 0 "[ . 1 . 2]"
1 18 ILE 0.031 0.008 18 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 12 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.003 0.002 20 0 "[ . 1 . 2]"
1 23 GLU 0.015 0.004 14 0 "[ . 1 . 2]"
1 24 TYR 0.012 0.004 14 0 "[ . 1 . 2]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.028 0.028 2 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 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 THR HA 1 4 ILE H . . 5.410 4.558 3.476 5.335 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HA 1 4 ILE HB . . 4.140 3.948 3.418 4.140 0.000 19 0 "[ . 1 . 2]" 1
3 1 1 THR HB 1 2 SER H . . 3.950 2.883 2.330 3.955 0.005 19 0 "[ . 1 . 2]" 1
4 1 2 SER H 1 2 SER HB2 . . 3.730 2.598 2.143 3.614 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER H 1 2 SER HB3 . . 3.730 2.972 2.264 3.557 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER H 1 3 SER H . . 3.610 2.318 1.906 2.656 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER HA 1 3 SER H . . 3.450 3.366 3.147 3.450 0.000 20 0 "[ . 1 . 2]" 1
8 1 2 SER HA 1 5 VAL HB . . 3.830 3.370 2.681 3.820 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER HA 1 5 VAL MG1 . . 6.530 4.667 4.055 5.102 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER HA 1 5 VAL MG2 . . 6.530 3.509 2.991 3.738 . 0 0 "[ . 1 . 2]" 1
11 1 3 SER H 1 3 SER HB2 . . 3.390 2.526 2.060 3.396 0.006 18 0 "[ . 1 . 2]" 1
12 1 3 SER H 1 3 SER HB3 . . 3.390 2.811 2.304 3.323 . 0 0 "[ . 1 . 2]" 1
13 1 3 SER HA 1 4 ILE H . . 3.550 3.164 2.807 3.546 . 0 0 "[ . 1 . 2]" 1
14 1 3 SER HA 1 5 VAL H . . 6.000 5.033 4.861 5.200 . 0 0 "[ . 1 . 2]" 1
15 1 3 SER HA 1 6 HIS QB . . 4.460 3.494 2.881 3.956 . 0 0 "[ . 1 . 2]" 1
16 1 3 SER HA 1 6 HIS HD2 . . 7.000 6.124 5.297 6.953 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE H 1 4 ILE HB . . 3.110 2.540 2.298 2.808 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE H 1 4 ILE HG12 . . 5.160 3.708 2.254 4.751 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE H 1 4 ILE QG . . 4.710 2.948 2.235 3.701 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE H 1 4 ILE HG13 . . 5.160 3.518 2.438 4.677 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE H 1 5 VAL H . . 3.640 2.354 1.961 2.680 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE HA 1 7 LEU H . . 3.610 3.497 3.339 3.603 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE HA 1 7 LEU HB2 . . 4.260 3.213 2.491 4.142 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE HA 1 7 LEU QB . . 4.060 2.712 2.146 2.969 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE HA 1 7 LEU HB3 . . 4.260 3.203 2.167 4.012 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE HB 1 5 VAL H . . 3.670 2.406 2.309 2.620 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL H 1 5 VAL HB . . 3.300 2.417 2.347 2.458 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL HA 1 8 CYS H . . 4.350 3.465 2.980 3.770 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL HA 1 8 CYS HB2 . . 4.600 2.629 2.057 3.387 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL HA 1 8 CYS QB . . 4.090 2.494 2.047 2.993 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL HA 1 8 CYS HB3 . . 4.600 3.462 2.323 4.108 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL HB 1 6 HIS H . . 3.450 2.376 2.317 2.521 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL QG 1 6 HIS H . . 5.870 2.914 2.781 3.075 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL QG 1 6 HIS HA . . 8.090 3.237 3.068 3.376 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL MG1 1 6 HIS H . . 6.430 3.015 2.847 3.212 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL MG2 1 6 HIS H . . 6.430 3.875 3.840 3.930 . 0 0 "[ . 1 . 2]" 1
37 1 6 HIS H 1 6 HIS HB2 . . 3.390 2.177 2.008 2.784 . 0 0 "[ . 1 . 2]" 1
38 1 6 HIS H 1 6 HIS QB . . 3.160 2.079 1.986 2.200 . 0 0 "[ . 1 . 2]" 1
39 1 6 HIS H 1 6 HIS HB3 . . 3.390 2.838 2.195 3.142 . 0 0 "[ . 1 . 2]" 1
40 1 6 HIS HA 1 9 ALA H . . 3.950 3.406 3.165 3.573 . 0 0 "[ . 1 . 2]" 1
41 1 6 HIS HA 1 9 ALA MB . . 5.040 2.381 1.956 2.993 . 0 0 "[ . 1 . 2]" 1
42 1 6 HIS QB 1 7 LEU H . . 3.770 2.421 2.155 2.710 . 0 0 "[ . 1 . 2]" 1
43 1 6 HIS HB2 1 7 LEU H . . 4.200 3.580 3.160 3.906 . 0 0 "[ . 1 . 2]" 1
44 1 6 HIS HB3 1 7 LEU H . . 4.200 2.465 2.179 2.767 . 0 0 "[ . 1 . 2]" 1
45 1 6 HIS HD2 1 7 LEU HA . . 5.500 4.570 3.659 5.443 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU H 1 7 LEU HB2 . . 3.550 2.215 1.978 2.621 . 0 0 "[ . 1 . 2]" 1
47 1 7 LEU H 1 7 LEU QB . . 3.310 2.065 1.960 2.221 . 0 0 "[ . 1 . 2]" 1
48 1 7 LEU H 1 7 LEU HB3 . . 3.550 2.795 2.279 3.492 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU H 1 7 LEU HG . . 4.350 4.104 2.578 4.383 0.033 9 0 "[ . 1 . 2]" 1
50 1 7 LEU H 1 8 CYS H . . 6.000 2.893 2.480 3.090 . 0 0 "[ . 1 . 2]" 1
51 1 7 LEU HA 1 10 ILE MD . . 7.000 3.051 2.020 4.995 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU HA 1 10 ILE QG . . 6.880 3.394 2.198 4.645 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU HB2 1 8 CYS H . . 4.070 3.500 2.614 4.033 . 0 0 "[ . 1 . 2]" 1
54 1 7 LEU HB3 1 8 CYS H . . 4.070 2.545 2.100 3.252 . 0 0 "[ . 1 . 2]" 1
55 1 8 CYS H 1 8 CYS HB2 . . 3.950 2.174 2.064 2.362 . 0 0 "[ . 1 . 2]" 1
56 1 8 CYS H 1 8 CYS QB . . 3.650 2.137 2.037 2.330 . 0 0 "[ . 1 . 2]" 1
57 1 8 CYS H 1 8 CYS HB3 . . 3.950 3.244 2.708 3.545 . 0 0 "[ . 1 . 2]" 1
58 1 8 CYS HA 1 9 ALA H . . 3.550 3.538 3.513 3.554 0.004 11 0 "[ . 1 . 2]" 1
59 1 8 CYS HA 1 11 SER H . . 3.980 3.564 3.063 4.002 0.022 10 0 "[ . 1 . 2]" 1
60 1 8 CYS HA 1 11 SER HB2 . . 5.100 3.780 2.055 4.696 . 0 0 "[ . 1 . 2]" 1
61 1 8 CYS HA 1 11 SER HB3 . . 5.100 4.109 2.620 4.994 . 0 0 "[ . 1 . 2]" 1
62 1 8 CYS QB 1 9 ALA H . . 3.600 3.017 2.927 3.110 . 0 0 "[ . 1 . 2]" 1
63 1 8 CYS HB2 1 9 ALA H . . 4.070 3.479 3.031 4.015 . 0 0 "[ . 1 . 2]" 1
64 1 8 CYS HB3 1 9 ALA H . . 4.070 3.450 3.042 3.863 . 0 0 "[ . 1 . 2]" 1
65 1 9 ALA H 1 10 ILE H . . 3.580 2.965 2.527 3.538 . 0 0 "[ . 1 . 2]" 1
66 1 9 ALA HA 1 12 LEU QB . . 5.570 3.500 2.987 5.014 . 0 0 "[ . 1 . 2]" 1
67 1 9 ALA HA 1 12 LEU HG . . 5.500 4.960 3.156 5.497 . 0 0 "[ . 1 . 2]" 1
68 1 9 ALA HA 1 13 ASP H . . 7.000 4.370 3.247 6.617 . 0 0 "[ . 1 . 2]" 1
69 1 10 ILE H 1 10 ILE HB . . 3.330 2.553 2.239 2.866 . 0 0 "[ . 1 . 2]" 1
70 1 10 ILE H 1 10 ILE HG12 . . 4.570 3.658 2.318 4.559 . 0 0 "[ . 1 . 2]" 1
71 1 10 ILE H 1 10 ILE QG . . 4.300 2.932 2.288 3.454 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE H 1 10 ILE HG13 . . 4.570 3.440 2.316 4.444 . 0 0 "[ . 1 . 2]" 1
73 1 10 ILE HA 1 13 ASP H . . 4.600 3.869 3.157 4.594 . 0 0 "[ . 1 . 2]" 1
74 1 10 ILE HA 1 13 ASP HB2 . . 4.630 3.288 2.128 4.476 . 0 0 "[ . 1 . 2]" 1
75 1 10 ILE HA 1 13 ASP QB . . 4.420 3.060 2.077 4.005 . 0 0 "[ . 1 . 2]" 1
76 1 10 ILE HA 1 13 ASP HB3 . . 4.630 3.855 2.763 4.626 . 0 0 "[ . 1 . 2]" 1
77 1 10 ILE HB 1 11 SER H . . 3.450 2.522 2.375 2.731 . 0 0 "[ . 1 . 2]" 1
78 1 10 ILE HG12 1 11 SER H . . 5.500 4.801 4.239 5.165 . 0 0 "[ . 1 . 2]" 1
79 1 10 ILE HG13 1 11 SER H . . 5.500 4.627 4.264 4.982 . 0 0 "[ . 1 . 2]" 1
80 1 10 ILE MG 1 11 SER H . . 5.940 3.180 2.984 3.355 . 0 0 "[ . 1 . 2]" 1
81 1 10 ILE MG 1 11 SER HA . . 6.530 3.349 3.151 3.599 . 0 0 "[ . 1 . 2]" 1
82 1 11 SER H 1 11 SER HB2 . . 3.730 2.455 2.049 3.571 . 0 0 "[ . 1 . 2]" 1
83 1 11 SER H 1 11 SER QB . . 3.410 2.242 2.019 2.738 . 0 0 "[ . 1 . 2]" 1
84 1 11 SER H 1 11 SER HB3 . . 3.730 2.967 2.480 3.567 . 0 0 "[ . 1 . 2]" 1
85 1 11 SER H 1 12 LEU H . . 3.760 3.094 2.466 3.756 . 0 0 "[ . 1 . 2]" 1
86 1 11 SER HA 1 12 LEU H . . 3.610 3.242 2.547 3.621 0.011 16 0 "[ . 1 . 2]" 1
87 1 11 SER HA 1 13 ASP H . . 8.000 4.780 3.973 5.106 . 0 0 "[ . 1 . 2]" 1
88 1 11 SER HA 1 14 ARG H . . 5.380 3.915 3.527 4.593 . 0 0 "[ . 1 . 2]" 1
89 1 11 SER HA 1 14 ARG HB2 . . 5.130 3.312 2.356 4.471 . 0 0 "[ . 1 . 2]" 1
90 1 11 SER HA 1 14 ARG QB . . 4.990 3.124 2.330 4.130 . 0 0 "[ . 1 . 2]" 1
91 1 11 SER HA 1 14 ARG HB3 . . 5.130 4.072 3.537 4.866 . 0 0 "[ . 1 . 2]" 1
92 1 11 SER HA 1 15 TYR QD . . 7.640 4.657 3.666 5.712 . 0 0 "[ . 1 . 2]" 1
93 1 11 SER HA 1 15 TYR QE . . 6.000 3.981 2.482 4.937 . 0 0 "[ . 1 . 2]" 1
94 1 11 SER QB 1 12 LEU QB . . 7.260 4.092 3.706 4.636 . 0 0 "[ . 1 . 2]" 1
95 1 11 SER QB 1 15 TYR QD . . 8.880 4.477 3.567 5.257 . 0 0 "[ . 1 . 2]" 1
96 1 11 SER QB 1 15 TYR QE . . 6.880 3.500 2.148 4.158 . 0 0 "[ . 1 . 2]" 1
97 1 12 LEU H 1 12 LEU HG . . 5.190 3.810 1.950 5.146 . 0 0 "[ . 1 . 2]" 1
98 1 12 LEU H 1 13 ASP H . . 3.700 2.693 2.161 3.478 . 0 0 "[ . 1 . 2]" 1
99 1 12 LEU HA 1 12 LEU HG . . 3.580 3.141 2.479 3.614 0.034 14 0 "[ . 1 . 2]" 1
100 1 12 LEU HA 1 15 TYR H . . 4.320 3.510 3.156 4.148 . 0 0 "[ . 1 . 2]" 1
101 1 12 LEU HA 1 15 TYR HB2 . . 6.000 3.313 2.828 4.380 . 0 0 "[ . 1 . 2]" 1
102 1 12 LEU HA 1 15 TYR HB3 . . 6.000 4.954 4.488 5.913 . 0 0 "[ . 1 . 2]" 1
103 1 12 LEU HA 1 15 TYR QD . . 7.640 2.340 2.028 2.982 . 0 0 "[ . 1 . 2]" 1
104 1 12 LEU HA 1 15 TYR QE . . 6.000 4.055 3.453 4.722 . 0 0 "[ . 1 . 2]" 1
105 1 12 LEU QB 1 13 ASP H . . 5.230 2.625 2.240 3.989 . 0 0 "[ . 1 . 2]" 1
106 1 12 LEU HG 1 13 ASP H . . 5.500 3.484 1.959 5.108 . 0 0 "[ . 1 . 2]" 1
107 1 13 ASP H 1 13 ASP HB2 . . 3.580 2.191 2.028 3.147 . 0 0 "[ . 1 . 2]" 1
108 1 13 ASP H 1 13 ASP QB . . 3.390 2.119 2.006 2.691 . 0 0 "[ . 1 . 2]" 1
109 1 13 ASP H 1 13 ASP HB3 . . 3.580 3.050 2.613 3.512 . 0 0 "[ . 1 . 2]" 1
110 1 13 ASP H 1 14 ARG H . . 3.140 2.885 1.940 3.081 . 0 0 "[ . 1 . 2]" 1
111 1 13 ASP HA 1 16 TRP QB . . 5.670 2.180 1.925 2.675 . 0 0 "[ . 1 . 2]" 1
112 1 13 ASP HA 1 16 TRP HD1 . . 5.500 4.040 2.255 5.274 . 0 0 "[ . 1 . 2]" 1
113 1 13 ASP HA 1 16 TRP HE3 . . 5.500 5.414 5.133 5.502 0.002 17 0 "[ . 1 . 2]" 1
114 1 13 ASP QB 1 14 ARG H . . 4.000 2.425 2.231 2.690 . 0 0 "[ . 1 . 2]" 1
115 1 13 ASP HB2 1 14 ARG H . . 4.170 3.295 2.671 3.856 . 0 0 "[ . 1 . 2]" 1
116 1 13 ASP HB3 1 14 ARG H . . 4.170 2.561 2.250 3.172 . 0 0 "[ . 1 . 2]" 1
117 1 14 ARG H 1 14 ARG HB2 . . 3.730 2.150 2.039 2.366 . 0 0 "[ . 1 . 2]" 1
118 1 14 ARG H 1 14 ARG QB . . 3.500 2.097 2.019 2.196 . 0 0 "[ . 1 . 2]" 1
119 1 14 ARG H 1 14 ARG HB3 . . 3.730 3.029 2.601 3.429 . 0 0 "[ . 1 . 2]" 1
120 1 14 ARG H 1 14 ARG HG2 . . 5.500 4.235 3.759 4.651 . 0 0 "[ . 1 . 2]" 1
121 1 14 ARG H 1 14 ARG HG3 . . 5.500 3.920 3.109 4.372 . 0 0 "[ . 1 . 2]" 1
122 1 14 ARG HA 1 16 TRP H . . 6.000 4.266 3.770 4.787 . 0 0 "[ . 1 . 2]" 1
123 1 14 ARG HA 1 17 SER HB2 . . 6.000 4.806 3.597 5.989 . 0 0 "[ . 1 . 2]" 1
124 1 14 ARG HA 1 17 SER HB3 . . 6.000 5.153 3.905 5.994 . 0 0 "[ . 1 . 2]" 1
125 1 14 ARG QB 1 15 TYR H . . 3.720 2.531 1.933 2.867 . 0 0 "[ . 1 . 2]" 1
126 1 14 ARG HB2 1 15 TYR H . . 3.890 3.446 2.948 3.887 . 0 0 "[ . 1 . 2]" 1
127 1 14 ARG HB3 1 15 TYR H . . 3.890 2.643 1.949 3.024 . 0 0 "[ . 1 . 2]" 1
128 1 14 ARG QD 1 15 TYR QE . . 6.000 3.767 2.458 4.956 . 0 0 "[ . 1 . 2]" 1
129 1 15 TYR H 1 15 TYR HB2 . . 3.760 2.367 2.176 2.580 . 0 0 "[ . 1 . 2]" 1
130 1 15 TYR H 1 15 TYR QB . . 3.500 2.329 2.154 2.513 . 0 0 "[ . 1 . 2]" 1
131 1 15 TYR H 1 15 TYR HB3 . . 3.760 3.483 3.432 3.575 . 0 0 "[ . 1 . 2]" 1
132 1 15 TYR H 1 16 TRP H . . 3.330 2.772 2.258 3.327 . 0 0 "[ . 1 . 2]" 1
133 1 15 TYR HA 1 15 TYR QE . . 6.000 4.694 4.510 4.852 . 0 0 "[ . 1 . 2]" 1
134 1 15 TYR HA 1 18 ILE HB . . 4.010 2.684 2.047 3.366 . 0 0 "[ . 1 . 2]" 1
135 1 15 TYR HA 1 18 ILE MD . . 6.530 2.874 1.968 5.139 . 0 0 "[ . 1 . 2]" 1
136 1 15 TYR HA 1 19 THR H . . 5.000 3.931 3.504 4.726 . 0 0 "[ . 1 . 2]" 1
137 1 15 TYR QD 1 16 TRP H . . 7.640 4.438 3.774 4.991 . 0 0 "[ . 1 . 2]" 1
138 1 16 TRP H 1 16 TRP HB2 . . 3.580 2.797 2.435 3.316 . 0 0 "[ . 1 . 2]" 1
139 1 16 TRP H 1 16 TRP QB . . 3.400 2.262 2.059 2.460 . 0 0 "[ . 1 . 2]" 1
140 1 16 TRP H 1 16 TRP HB3 . . 3.580 2.427 2.105 2.560 . 0 0 "[ . 1 . 2]" 1
141 1 16 TRP H 1 16 TRP HD1 . . 5.500 4.889 4.287 5.091 . 0 0 "[ . 1 . 2]" 1
142 1 16 TRP H 1 16 TRP HE3 . . 5.500 4.716 4.356 5.276 . 0 0 "[ . 1 . 2]" 1
143 1 16 TRP H 1 17 SER H . . 3.760 2.706 2.062 3.135 . 0 0 "[ . 1 . 2]" 1
144 1 16 TRP HA 1 16 TRP HD1 . . 4.880 4.706 4.588 4.768 . 0 0 "[ . 1 . 2]" 1
145 1 16 TRP HA 1 16 TRP HE3 . . 3.830 2.194 2.000 3.165 . 0 0 "[ . 1 . 2]" 1
146 1 16 TRP HA 1 19 THR H . . 4.570 3.757 2.970 4.111 . 0 0 "[ . 1 . 2]" 1
147 1 16 TRP HA 1 19 THR HB . . 5.500 3.136 2.035 4.875 . 0 0 "[ . 1 . 2]" 1
148 1 16 TRP HA 1 19 THR MG . . 6.500 4.030 3.051 5.155 . 0 0 "[ . 1 . 2]" 1
149 1 16 TRP QB 1 17 SER H . . 4.150 2.406 2.176 2.907 . 0 0 "[ . 1 . 2]" 1
150 1 16 TRP HB2 1 17 SER H . . 4.320 3.843 3.700 4.189 . 0 0 "[ . 1 . 2]" 1
151 1 16 TRP HB3 1 17 SER H . . 4.320 2.433 2.191 2.965 . 0 0 "[ . 1 . 2]" 1
152 1 16 TRP HD1 1 17 SER H . . 5.500 3.558 2.380 4.504 . 0 0 "[ . 1 . 2]" 1
153 1 16 TRP HD1 1 17 SER HA . . 5.500 4.112 3.097 4.841 . 0 0 "[ . 1 . 2]" 1
154 1 16 TRP HE3 1 17 SER H . . 8.000 5.364 5.219 5.605 . 0 0 "[ . 1 . 2]" 1
155 1 16 TRP HE3 1 17 SER HA . . 6.000 5.944 5.691 6.001 0.001 12 0 "[ . 1 . 2]" 1
156 1 16 TRP HE3 1 19 THR H . . 5.500 5.386 5.162 5.500 0.000 12 0 "[ . 1 . 2]" 1
157 1 16 TRP HE3 1 19 THR HB . . 5.500 3.807 3.289 5.004 . 0 0 "[ . 1 . 2]" 1
158 1 17 SER H 1 17 SER HB2 . . 3.520 2.240 2.039 2.591 . 0 0 "[ . 1 . 2]" 1
159 1 17 SER H 1 17 SER HB3 . . 3.520 2.919 2.360 3.501 . 0 0 "[ . 1 . 2]" 1
160 1 17 SER H 1 18 ILE H . . 3.830 2.991 2.747 3.482 . 0 0 "[ . 1 . 2]" 1
161 1 17 SER HA 1 18 ILE H . . 3.640 3.513 2.676 3.648 0.008 18 0 "[ . 1 . 2]" 1
162 1 17 SER HA 1 20 GLN QB . . 5.000 2.852 2.078 4.306 . 0 0 "[ . 1 . 2]" 1
163 1 17 SER HA 1 20 GLN HG2 . . 6.000 5.078 2.602 5.947 . 0 0 "[ . 1 . 2]" 1
164 1 17 SER HA 1 20 GLN HG3 . . 6.000 4.715 2.508 5.943 . 0 0 "[ . 1 . 2]" 1
165 1 18 ILE H 1 18 ILE HB . . 3.270 2.479 2.320 2.812 . 0 0 "[ . 1 . 2]" 1
166 1 18 ILE H 1 18 ILE HG12 . . 5.100 3.286 1.961 4.558 . 0 0 "[ . 1 . 2]" 1
167 1 18 ILE H 1 18 ILE QG . . 4.640 2.284 1.947 3.472 . 0 0 "[ . 1 . 2]" 1
168 1 18 ILE H 1 18 ILE HG13 . . 5.100 2.691 1.959 3.661 . 0 0 "[ . 1 . 2]" 1
169 1 18 ILE HA 1 18 ILE HG12 . . 4.260 2.816 2.256 3.297 . 0 0 "[ . 1 . 2]" 1
170 1 18 ILE HA 1 18 ILE HG13 . . 4.260 2.912 2.271 3.716 . 0 0 "[ . 1 . 2]" 1
171 1 18 ILE HA 1 21 ALA MB . . 4.950 3.144 2.602 3.791 . 0 0 "[ . 1 . 2]" 1
172 1 18 ILE HB 1 19 THR H . . 3.420 2.434 2.276 2.728 . 0 0 "[ . 1 . 2]" 1
173 1 18 ILE MG 1 19 THR HA . . 6.530 3.323 3.004 3.649 . 0 0 "[ . 1 . 2]" 1
174 1 19 THR H 1 19 THR HB . . 3.730 2.502 2.185 3.491 . 0 0 "[ . 1 . 2]" 1
175 1 19 THR H 1 20 GLN H . . 3.700 2.924 2.593 3.159 . 0 0 "[ . 1 . 2]" 1
176 1 19 THR HA 1 22 ILE HB . . 3.330 2.839 2.083 3.315 . 0 0 "[ . 1 . 2]" 1
177 1 19 THR HA 1 22 ILE MD . . 5.010 2.906 1.965 4.240 . 0 0 "[ . 1 . 2]" 1
178 1 19 THR HB 1 20 GLN H . . 3.730 2.778 2.375 3.724 . 0 0 "[ . 1 . 2]" 1
179 1 19 THR MG 1 20 GLN H . . 6.530 3.402 2.973 4.115 . 0 0 "[ . 1 . 2]" 1
180 1 19 THR MG 1 20 GLN HA . . 6.530 3.758 3.164 5.461 . 0 0 "[ . 1 . 2]" 1
181 1 20 GLN H 1 20 GLN HG2 . . 5.500 4.006 2.049 4.645 . 0 0 "[ . 1 . 2]" 1
182 1 20 GLN H 1 20 GLN QG . . 5.050 3.372 1.956 4.029 . 0 0 "[ . 1 . 2]" 1
183 1 20 GLN H 1 20 GLN HG3 . . 5.500 3.787 1.984 4.539 . 0 0 "[ . 1 . 2]" 1
184 1 20 GLN H 1 21 ALA H . . 3.580 3.174 2.714 3.574 . 0 0 "[ . 1 . 2]" 1
185 1 21 ALA H 1 22 ILE H . . 3.480 2.761 1.901 3.467 . 0 0 "[ . 1 . 2]" 1
186 1 21 ALA HA 1 24 TYR QB . . 4.400 2.908 1.998 3.824 . 0 0 "[ . 1 . 2]" 1
187 1 21 ALA MB 1 22 ILE HA . . 6.530 4.037 3.670 4.379 . 0 0 "[ . 1 . 2]" 1
188 1 22 ILE H 1 22 ILE HB . . 3.330 2.463 2.090 2.914 . 0 0 "[ . 1 . 2]" 1
189 1 22 ILE H 1 22 ILE HG12 . . 4.760 3.902 2.020 4.606 . 0 0 "[ . 1 . 2]" 1
190 1 22 ILE H 1 22 ILE QG . . 4.330 2.981 2.009 3.877 . 0 0 "[ . 1 . 2]" 1
191 1 22 ILE H 1 22 ILE HG13 . . 4.760 3.302 2.091 4.557 . 0 0 "[ . 1 . 2]" 1
192 1 22 ILE H 1 23 GLU H . . 3.550 2.521 1.933 3.176 . 0 0 "[ . 1 . 2]" 1
193 1 22 ILE HA 1 22 ILE HG12 . . 3.830 2.750 2.267 3.280 . 0 0 "[ . 1 . 2]" 1
194 1 22 ILE HA 1 22 ILE HG13 . . 3.830 2.754 2.072 3.689 . 0 0 "[ . 1 . 2]" 1
195 1 22 ILE HA 1 25 ASN H . . 4.810 3.660 3.185 4.115 . 0 0 "[ . 1 . 2]" 1
196 1 22 ILE HA 1 25 ASN HB2 . . 6.000 4.783 4.066 5.664 . 0 0 "[ . 1 . 2]" 1
197 1 22 ILE HA 1 25 ASN QB . . 5.170 4.413 3.977 4.652 . 0 0 "[ . 1 . 2]" 1
198 1 22 ILE HA 1 25 ASN HB3 . . 6.000 5.404 4.736 5.878 . 0 0 "[ . 1 . 2]" 1
199 1 22 ILE HB 1 23 GLU H . . 3.650 2.677 2.109 3.652 0.002 20 0 "[ . 1 . 2]" 1
200 1 22 ILE MG 1 23 GLU H . . 5.600 2.801 1.939 3.529 . 0 0 "[ . 1 . 2]" 1
201 1 22 ILE MG 1 23 GLU HA . . 4.920 3.195 2.895 3.709 . 0 0 "[ . 1 . 2]" 1
202 1 23 GLU H 1 23 GLU HG2 . . 5.500 4.106 2.199 4.650 . 0 0 "[ . 1 . 2]" 1
203 1 23 GLU H 1 23 GLU QG . . 5.020 3.546 2.062 3.995 . 0 0 "[ . 1 . 2]" 1
204 1 23 GLU H 1 23 GLU HG3 . . 5.500 3.972 2.491 4.569 . 0 0 "[ . 1 . 2]" 1
205 1 23 GLU HA 1 24 TYR H . . 3.520 3.362 2.448 3.524 0.004 14 0 "[ . 1 . 2]" 1
206 1 23 GLU HA 1 25 ASN QD . . 8.870 7.242 5.555 7.803 . 0 0 "[ . 1 . 2]" 1
207 1 23 GLU HA 1 26 LEU H . . 5.000 4.293 3.678 4.973 . 0 0 "[ . 1 . 2]" 1
208 1 23 GLU HA 1 26 LEU QB . . 4.920 2.552 1.991 3.455 . 0 0 "[ . 1 . 2]" 1
209 1 23 GLU HA 1 26 LEU HG . . 5.500 4.843 2.746 5.442 . 0 0 "[ . 1 . 2]" 1
210 1 23 GLU HA 1 27 LYS H . . 5.040 4.763 3.580 5.039 . 0 0 "[ . 1 . 2]" 1
211 1 23 GLU QB 1 24 TYR H . . 4.550 3.182 2.984 4.042 . 0 0 "[ . 1 . 2]" 1
212 1 23 GLU QG 1 24 TYR H . . 6.380 4.390 3.923 4.727 . 0 0 "[ . 1 . 2]" 1
213 1 24 TYR H 1 24 TYR HB2 . . 3.700 2.184 1.949 3.000 . 0 0 "[ . 1 . 2]" 1
214 1 24 TYR H 1 24 TYR QB . . 3.380 2.085 1.919 2.746 . 0 0 "[ . 1 . 2]" 1
215 1 24 TYR H 1 24 TYR HB3 . . 3.700 2.912 2.245 3.572 . 0 0 "[ . 1 . 2]" 1
216 1 24 TYR H 1 25 ASN H . . 3.450 2.605 1.901 2.867 . 0 0 "[ . 1 . 2]" 1
217 1 24 TYR HA 1 25 ASN QD . . 6.370 4.946 4.097 5.705 . 0 0 "[ . 1 . 2]" 1
218 1 24 TYR QB 1 25 ASN H . . 4.090 2.559 2.372 2.819 . 0 0 "[ . 1 . 2]" 1
219 1 24 TYR HB2 1 25 ASN H . . 4.570 3.321 2.584 3.953 . 0 0 "[ . 1 . 2]" 1
220 1 24 TYR HB3 1 25 ASN H . . 4.570 2.775 2.422 3.279 . 0 0 "[ . 1 . 2]" 1
221 1 24 TYR QD 1 25 ASN H . . 7.640 4.220 3.253 4.600 . 0 0 "[ . 1 . 2]" 1
222 1 24 TYR QD 1 25 ASN HA . . 7.640 4.852 3.877 5.662 . 0 0 "[ . 1 . 2]" 1
223 1 25 ASN H 1 25 ASN HB2 . . 3.860 2.627 2.321 3.614 . 0 0 "[ . 1 . 2]" 1
224 1 25 ASN H 1 25 ASN QB . . 3.470 2.506 2.290 2.817 . 0 0 "[ . 1 . 2]" 1
225 1 25 ASN H 1 25 ASN HB3 . . 3.860 3.387 2.938 3.637 . 0 0 "[ . 1 . 2]" 1
226 1 25 ASN H 1 26 LEU H . . 3.520 3.355 2.814 3.509 . 0 0 "[ . 1 . 2]" 1
227 1 25 ASN H 1 26 LEU QB . . 5.600 3.770 3.562 3.941 . 0 0 "[ . 1 . 2]" 1
228 1 25 ASN HA 1 27 LYS H . . 7.000 4.676 4.316 5.253 . 0 0 "[ . 1 . 2]" 1
229 1 25 ASN HA 1 28 ARG H . . 5.070 4.629 4.149 5.038 . 0 0 "[ . 1 . 2]" 1
230 1 25 ASN HA 1 28 ARG HB2 . . 7.000 3.775 2.900 5.588 . 0 0 "[ . 1 . 2]" 1
231 1 25 ASN HA 1 28 ARG QB . . 6.700 3.393 2.752 4.265 . 0 0 "[ . 1 . 2]" 1
232 1 25 ASN HA 1 28 ARG HB3 . . 7.000 4.322 3.228 5.629 . 0 0 "[ . 1 . 2]" 1
233 1 25 ASN HA 1 28 ARG QG . . 7.000 4.354 3.102 6.127 . 0 0 "[ . 1 . 2]" 1
234 1 25 ASN HB2 1 26 LEU H . . 4.820 4.631 4.385 4.745 . 0 0 "[ . 1 . 2]" 1
235 1 25 ASN HB3 1 26 LEU H . . 4.820 4.309 4.224 4.730 . 0 0 "[ . 1 . 2]" 1
236 1 25 ASN QD 1 26 LEU H . . 6.370 4.958 4.260 5.529 . 0 0 "[ . 1 . 2]" 1
237 1 26 LEU H 1 26 LEU HG . . 4.630 4.373 4.047 4.612 . 0 0 "[ . 1 . 2]" 1
238 1 26 LEU H 1 27 LYS H . . 3.610 2.337 2.149 2.682 . 0 0 "[ . 1 . 2]" 1
239 1 26 LEU HA 1 26 LEU HG . . 3.550 2.841 2.253 3.578 0.028 2 0 "[ . 1 . 2]" 1
240 1 26 LEU QD 1 27 LYS H . . 8.100 3.063 2.423 3.775 . 0 0 "[ . 1 . 2]" 1
241 1 27 LYS H 1 27 LYS HB2 . . 3.830 2.960 2.198 3.783 . 0 0 "[ . 1 . 2]" 1
242 1 27 LYS H 1 27 LYS QB . . 3.450 2.530 2.163 2.935 . 0 0 "[ . 1 . 2]" 1
243 1 27 LYS H 1 27 LYS HB3 . . 3.830 2.950 2.409 3.632 . 0 0 "[ . 1 . 2]" 1
244 1 27 LYS H 1 27 LYS HG2 . . 5.500 4.333 2.702 4.831 . 0 0 "[ . 1 . 2]" 1
245 1 27 LYS H 1 27 LYS HG3 . . 5.500 4.198 2.183 4.993 . 0 0 "[ . 1 . 2]" 1
246 1 27 LYS H 1 28 ARG H . . 3.640 3.373 3.113 3.628 . 0 0 "[ . 1 . 2]" 1
247 1 27 LYS HA 1 28 ARG H . . 3.140 2.497 2.357 2.593 . 0 0 "[ . 1 . 2]" 1
248 1 28 ARG H 1 28 ARG HB2 . . 3.700 2.753 2.102 3.697 . 0 0 "[ . 1 . 2]" 1
249 1 28 ARG H 1 28 ARG QB . . 3.520 2.479 2.078 2.890 . 0 0 "[ . 1 . 2]" 1
250 1 28 ARG H 1 28 ARG HB3 . . 3.700 3.085 2.704 3.511 . 0 0 "[ . 1 . 2]" 1
251 1 28 ARG HA 1 29 THR H . . 3.110 2.493 2.226 2.724 . 0 0 "[ . 1 . 2]" 1
252 1 29 THR H 1 29 THR HB . . 3.920 3.290 2.466 3.898 . 0 0 "[ . 1 . 2]" 1
253 1 29 THR MG 1 30 PRO QD . . 7.380 3.690 3.126 4.099 . 0 0 "[ . 1 . 2]" 1
254 1 30 PRO HA 1 31 ARG H . . 2.930 2.453 2.170 2.583 . 0 0 "[ . 1 . 2]" 1
255 1 31 ARG H 1 31 ARG HB2 . . 3.860 2.738 2.108 3.837 . 0 0 "[ . 1 . 2]" 1
256 1 31 ARG H 1 31 ARG QB . . 3.690 2.497 2.086 3.030 . 0 0 "[ . 1 . 2]" 1
257 1 31 ARG H 1 31 ARG HB3 . . 3.860 3.185 2.553 3.718 . 0 0 "[ . 1 . 2]" 1
258 1 31 ARG H 1 32 ARG H . . 4.480 4.260 3.569 4.479 . 0 0 "[ . 1 . 2]" 1
259 1 31 ARG HA 1 32 ARG H . . 3.240 2.319 2.226 2.574 . 0 0 "[ . 1 . 2]" 1
260 1 32 ARG H 1 32 ARG HB2 . . 3.670 2.690 2.143 3.646 . 0 0 "[ . 1 . 2]" 1
261 1 32 ARG H 1 32 ARG HB3 . . 3.670 3.156 2.439 3.657 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 2:54:19 AM GMT (wattos1)