NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399133 |
1u0p   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u0p
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 169
_Distance_constraint_stats_list.Viol_count 895
_Distance_constraint_stats_list.Viol_total 795.987
_Distance_constraint_stats_list.Viol_max 0.308
_Distance_constraint_stats_list.Viol_rms 0.0623
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0471
_Distance_constraint_stats_list.Viol_average_violations_only 0.0889
_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 0.010 0.010 2 0 "[ . 1]"
1 2 TYR 0.025 0.010 2 0 "[ . 1]"
1 3 ILE 2.381 0.308 6 0 "[ . 1]"
1 4 PRO 0.151 0.093 4 0 "[ . 1]"
1 5 GLU 1.982 0.155 1 0 "[ . 1]"
1 6 ALA 0.474 0.063 10 0 "[ . 1]"
1 7 PRO 0.250 0.049 6 0 "[ . 1]"
1 8 ARG 6.900 0.296 10 0 "[ . 1]"
1 9 ASP 8.656 0.296 10 0 "[ . 1]"
1 10 GLY 4.739 0.286 1 0 "[ . 1]"
1 11 GLN 3.824 0.242 10 0 "[ . 1]"
1 12 ALA 2.435 0.136 2 0 "[ . 1]"
1 13 TYR 11.207 0.216 5 0 "[ . 1]"
1 14 VAL 8.934 0.209 9 0 "[ . 1]"
1 15 ARG 10.448 0.209 9 0 "[ . 1]"
1 16 LYS 12.300 0.197 4 0 "[ . 1]"
1 17 ASP 5.478 0.197 4 0 "[ . 1]"
1 18 GLY 1.576 0.077 1 0 "[ . 1]"
1 19 GLU 6.795 0.164 3 0 "[ . 1]"
1 20 TRP 14.742 0.216 5 0 "[ . 1]"
1 21 VAL 3.713 0.176 1 0 "[ . 1]"
1 22 LEU 11.569 0.280 9 0 "[ . 1]"
1 23 LEU 5.053 0.280 9 0 "[ . 1]"
1 24 SER 0.597 0.134 8 0 "[ . 1]"
1 25 THR 0.030 0.024 8 0 "[ . 1]"
1 26 PHE 0.126 0.033 1 0 "[ . 1]"
1 27 LEU 0.232 0.066 4 0 "[ . 1]"
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 2 TYR H 2.220 . 2.520 2.309 2.112 2.530 0.010 2 0 "[ . 1]" 1
2 1 2 TYR H 1 2 TYR QB 2.207 2.126 2.507 2.346 2.122 2.516 0.009 7 0 "[ . 1]" 1
3 1 2 TYR HA 1 3 ILE H 1.997 . 2.297 2.193 2.145 2.244 . 0 0 "[ . 1]" 1
4 1 2 TYR QB 1 2 TYR QD 2.132 . 2.432 2.151 2.135 2.176 . 0 0 "[ . 1]" 1
5 1 3 ILE H 1 3 ILE HA 2.558 2.458 2.758 2.878 2.841 2.901 0.143 1 0 "[ . 1]" 1
6 1 3 ILE H 1 3 ILE HB 2.541 2.241 2.841 2.692 2.577 2.856 0.015 3 0 "[ . 1]" 1
7 1 3 ILE H 1 3 ILE HG12 2.794 2.494 3.094 3.170 3.106 3.402 0.308 6 0 "[ . 1]" 1
8 1 3 ILE H 1 3 ILE HG13 2.668 2.368 2.968 2.329 2.270 2.358 0.099 6 0 "[ . 1]" 1
9 1 3 ILE MG 1 4 PRO QD 2.600 2.300 2.900 2.632 2.295 2.841 0.005 10 0 "[ . 1]" 1
10 1 4 PRO HA 1 5 GLU H 2.002 . 2.202 2.195 2.153 2.294 0.093 4 0 "[ . 1]" 1
11 1 5 GLU H 1 5 GLU HA 2.367 2.067 2.667 2.818 2.810 2.822 0.155 1 0 "[ . 1]" 1
12 1 5 GLU H 1 5 GLU QB 2.405 2.326 2.705 2.480 2.327 2.641 . 0 0 "[ . 1]" 1
13 1 5 GLU H 1 5 GLU QG 2.737 2.438 3.037 2.484 2.426 2.650 0.011 6 0 "[ . 1]" 1
14 1 5 GLU HA 1 6 ALA H 2.030 . 2.230 2.250 2.160 2.293 0.063 10 0 "[ . 1]" 1
15 1 6 ALA H 1 6 ALA HA 2.730 2.630 2.930 2.841 2.818 2.860 . 0 0 "[ . 1]" 1
16 1 6 ALA H 1 6 ALA MB 2.230 . 2.830 2.092 2.029 2.243 . 0 0 "[ . 1]" 1
17 1 6 ALA MB 1 7 PRO QD 2.664 2.364 2.964 2.606 2.314 2.977 0.049 6 0 "[ . 1]" 1
18 1 7 PRO HA 1 8 ARG H 2.031 . 2.231 2.203 2.156 2.264 0.033 5 0 "[ . 1]" 1
19 1 8 ARG H 1 8 ARG HA 2.610 2.510 2.810 2.905 2.899 2.912 0.101 7 0 "[ . 1]" 1
20 1 8 ARG H 1 8 ARG HB2 2.495 2.195 2.795 2.882 2.814 2.911 0.117 4 0 "[ . 1]" 1
21 1 8 ARG H 1 8 ARG HB3 2.446 2.146 2.746 2.755 2.695 2.793 0.047 6 0 "[ . 1]" 1
22 1 8 ARG H 1 9 ASP QB 2.871 2.071 4.571 4.740 4.707 4.764 0.193 6 0 "[ . 1]" 1
23 1 8 ARG HA 1 9 ASP H 2.023 . 2.223 2.250 2.219 2.297 0.074 10 0 "[ . 1]" 1
24 1 8 ARG HB2 1 9 ASP H 2.928 2.728 3.628 3.880 3.840 3.924 0.296 10 0 "[ . 1]" 1
25 1 8 ARG HB3 1 9 ASP H 2.800 2.600 3.450 3.483 3.452 3.524 0.075 9 0 "[ . 1]" 1
26 1 9 ASP H 1 9 ASP HA 2.007 . 2.607 2.845 2.835 2.857 0.249 1 0 "[ . 1]" 1
27 1 9 ASP H 1 9 ASP HB2 2.322 2.022 3.022 3.059 3.038 3.094 0.072 4 0 "[ . 1]" 1
28 1 9 ASP H 1 9 ASP HB3 2.322 2.022 3.022 3.009 2.943 3.054 0.033 7 0 "[ . 1]" 1
29 1 9 ASP HA 1 10 GLY H 2.740 2.290 3.040 3.107 3.066 3.226 0.187 10 0 "[ . 1]" 1
30 1 9 ASP HA 1 11 GLN H 3.016 2.816 4.116 3.938 3.322 4.184 0.068 2 0 "[ . 1]" 1
31 1 9 ASP HB2 1 10 GLY H 3.500 3.200 5.000 4.348 4.197 4.399 . 0 0 "[ . 1]" 1
32 1 9 ASP HB3 1 10 GLY H 3.500 3.200 5.000 3.823 3.515 3.908 . 0 0 "[ . 1]" 1
33 1 10 GLY H 1 10 GLY HA2 2.140 . 2.590 2.460 2.277 2.876 0.286 1 0 "[ . 1]" 1
34 1 10 GLY H 1 10 GLY QA 2.132 . 2.332 2.213 2.190 2.286 . 0 0 "[ . 1]" 1
35 1 10 GLY H 1 10 GLY HA3 2.262 2.062 2.812 2.688 2.336 2.842 0.030 6 0 "[ . 1]" 1
36 1 10 GLY HA2 1 11 GLN H 2.431 2.231 2.931 3.093 2.982 3.141 0.210 6 0 "[ . 1]" 1
37 1 10 GLY HA3 1 11 GLN H 2.622 2.422 3.122 3.271 3.236 3.364 0.242 10 0 "[ . 1]" 1
38 1 11 GLN H 1 11 GLN QB 2.377 2.167 2.677 2.540 2.287 2.801 0.124 7 0 "[ . 1]" 1
39 1 11 GLN H 1 11 GLN QG 2.461 2.161 2.761 2.384 2.160 2.771 0.010 1 0 "[ . 1]" 1
40 1 11 GLN HA 1 12 ALA H 1.851 . 2.251 2.177 2.159 2.230 . 0 0 "[ . 1]" 1
41 1 11 GLN QB 1 12 ALA H 2.783 2.483 3.083 3.036 2.753 3.144 0.062 7 0 "[ . 1]" 1
42 1 11 GLN QB 1 13 TYR QE 2.668 2.368 2.968 2.883 2.450 3.005 0.037 2 0 "[ . 1]" 1
43 1 12 ALA H 1 12 ALA MB 3.171 2.671 3.671 2.588 2.574 2.604 0.097 9 0 "[ . 1]" 1
44 1 12 ALA H 1 22 LEU QB 3.231 2.831 3.531 2.928 2.870 3.052 . 0 0 "[ . 1]" 1
45 1 12 ALA H 1 22 LEU QD 2.696 2.396 4.396 4.506 4.487 4.532 0.136 2 0 "[ . 1]" 1
46 1 12 ALA H 1 23 LEU QB 2.436 2.136 2.736 2.769 2.731 2.805 0.069 7 0 "[ . 1]" 1
47 1 12 ALA H 1 23 LEU QD 3.520 3.120 4.216 3.777 3.478 4.219 0.003 9 0 "[ . 1]" 1
48 1 12 ALA HA 1 13 TYR H . 2.084 2.370 2.099 2.052 2.162 0.032 5 0 "[ . 1]" 1
49 1 12 ALA MB 1 13 TYR H 3.190 2.890 3.490 3.109 2.959 3.269 . 0 0 "[ . 1]" 1
50 1 12 ALA MB 1 23 LEU H 3.220 2.820 4.220 3.279 3.083 3.481 . 0 0 "[ . 1]" 1
51 1 13 TYR H 1 13 TYR HA 2.765 2.565 2.965 2.884 2.841 2.911 . 0 0 "[ . 1]" 1
52 1 13 TYR H 1 13 TYR HB2 2.398 2.099 2.698 2.783 2.759 2.819 0.121 2 0 "[ . 1]" 1
53 1 13 TYR H 1 13 TYR HB3 3.030 2.730 3.530 3.611 3.552 3.654 0.124 1 0 "[ . 1]" 1
54 1 13 TYR H 1 13 TYR QD 2.999 2.699 3.299 2.662 2.583 2.834 0.116 6 0 "[ . 1]" 1
55 1 13 TYR H 1 22 LEU QB 3.343 3.043 3.643 3.760 3.746 3.776 0.133 1 0 "[ . 1]" 1
56 1 13 TYR H 1 22 LEU MD1 3.508 3.208 4.508 4.144 3.986 4.460 . 0 0 "[ . 1]" 1
57 1 13 TYR H 1 22 LEU QD 3.503 3.103 4.303 4.080 3.937 4.365 0.062 5 0 "[ . 1]" 1
58 1 13 TYR HA 1 13 TYR QD 3.083 2.783 3.383 2.642 2.600 2.733 0.183 7 0 "[ . 1]" 1
59 1 13 TYR HA 1 14 VAL H 2.199 2.031 2.499 2.101 2.077 2.115 . 0 0 "[ . 1]" 1
60 1 13 TYR HA 1 22 LEU HA 2.335 2.035 2.635 1.909 1.862 1.996 0.173 1 0 "[ . 1]" 1
61 1 13 TYR HA 1 23 LEU H 2.861 2.697 3.297 3.424 3.380 3.445 0.147 4 0 "[ . 1]" 1
62 1 13 TYR QB 1 13 TYR QD 2.215 2.020 2.515 2.223 2.130 2.271 . 0 0 "[ . 1]" 1
63 1 13 TYR QB 1 14 VAL H . 2.832 3.128 2.969 2.949 2.999 . 0 0 "[ . 1]" 1
64 1 13 TYR HB2 1 13 TYR QD 2.556 2.256 2.856 2.370 2.266 2.431 . 0 0 "[ . 1]" 1
65 1 13 TYR HB2 1 20 TRP HE3 2.810 2.510 2.872 2.959 2.929 2.980 0.108 1 0 "[ . 1]" 1
66 1 13 TYR HB2 1 20 TRP HZ3 3.378 3.078 3.978 3.762 3.706 3.817 . 0 0 "[ . 1]" 1
67 1 13 TYR HB3 1 13 TYR QD 2.475 2.175 2.775 2.692 2.574 2.744 . 0 0 "[ . 1]" 1
68 1 13 TYR HB3 1 14 VAL H 3.382 3.182 3.582 3.106 3.080 3.150 0.102 8 0 "[ . 1]" 1
69 1 13 TYR QD 1 20 TRP QB 2.935 2.635 3.435 3.527 3.468 3.651 0.216 5 0 "[ . 1]" 1
70 1 13 TYR QE 1 22 LEU QB 2.897 2.597 3.197 3.024 2.866 3.120 . 0 0 "[ . 1]" 1
71 1 13 TYR QE 1 22 LEU MD1 3.180 2.880 3.580 2.849 2.778 2.920 0.102 5 0 "[ . 1]" 1
72 1 13 TYR QE 1 22 LEU QD 2.760 2.460 3.060 2.813 2.749 2.877 . 0 0 "[ . 1]" 1
73 1 13 TYR QE 1 22 LEU MD2 3.530 3.230 4.430 4.356 4.342 4.371 . 0 0 "[ . 1]" 1
74 1 13 TYR QE 1 22 LEU HG . 2.720 2.771 2.812 2.803 2.821 0.050 3 0 "[ . 1]" 1
75 1 14 VAL H 1 14 VAL HA 2.592 2.379 2.892 2.929 2.927 2.931 0.039 8 0 "[ . 1]" 1
76 1 14 VAL H 1 14 VAL HB . 2.931 3.012 3.131 3.097 3.158 0.146 2 0 "[ . 1]" 1
77 1 14 VAL H 1 14 VAL QG . 2.545 2.753 2.392 2.383 2.417 0.162 7 0 "[ . 1]" 1
78 1 14 VAL H 1 20 TRP HE3 3.509 3.209 3.809 3.322 3.147 3.457 0.062 2 0 "[ . 1]" 1
79 1 14 VAL HA 1 15 ARG H 1.968 . 2.268 2.360 2.347 2.381 0.114 4 0 "[ . 1]" 1
80 1 14 VAL HA 1 20 TRP HZ3 3.132 2.832 3.432 2.744 2.722 2.783 0.110 4 0 "[ . 1]" 1
81 1 14 VAL HB 1 15 ARG H 2.344 2.303 2.744 2.941 2.930 2.953 0.209 9 0 "[ . 1]" 1
82 1 14 VAL HB 1 16 LYS H 3.564 3.264 3.864 3.976 3.962 3.988 0.124 10 0 "[ . 1]" 1
83 1 14 VAL QG 1 15 ARG H 2.316 2.016 2.616 2.279 2.162 2.409 . 0 0 "[ . 1]" 1
84 1 15 ARG H 1 15 ARG HA 2.667 2.467 2.867 2.900 2.898 2.902 0.034 1 0 "[ . 1]" 1
85 1 15 ARG H 1 15 ARG HB2 2.347 2.047 2.647 2.299 2.287 2.307 . 0 0 "[ . 1]" 1
86 1 15 ARG H 1 15 ARG HB3 2.779 2.479 3.079 3.181 3.167 3.200 0.121 5 0 "[ . 1]" 1
87 1 15 ARG H 1 15 ARG QG 2.994 2.694 3.594 3.709 3.698 3.722 0.128 8 0 "[ . 1]" 1
88 1 15 ARG HA 1 16 LYS H 1.918 . 2.218 2.076 2.071 2.090 . 0 0 "[ . 1]" 1
89 1 15 ARG HA 1 20 TRP HE3 2.764 2.464 3.064 3.126 3.113 3.135 0.071 9 0 "[ . 1]" 1
90 1 15 ARG QB 1 16 LYS H . 3.086 3.689 3.769 3.762 3.783 0.094 1 0 "[ . 1]" 1
91 1 15 ARG QB 1 20 TRP HA 2.812 2.512 4.112 4.262 4.229 4.279 0.166 9 0 "[ . 1]" 1
92 1 15 ARG QB 1 20 TRP HZ3 3.343 3.043 3.643 3.007 2.976 3.032 0.067 9 0 "[ . 1]" 1
93 1 15 ARG QG 1 16 LYS H 2.959 2.783 3.359 3.485 3.480 3.489 0.129 2 0 "[ . 1]" 1
94 1 15 ARG QG 1 20 TRP HE3 2.812 2.512 3.112 3.165 3.146 3.190 0.078 1 0 "[ . 1]" 1
95 1 15 ARG QG 1 20 TRP HZ3 3.152 2.852 3.452 3.265 3.211 3.309 . 0 0 "[ . 1]" 1
96 1 16 LYS H 1 16 LYS HA 2.143 . 2.843 2.935 2.932 2.941 0.098 1 0 "[ . 1]" 1
97 1 16 LYS H 1 16 LYS QB 2.668 2.580 2.968 2.729 2.706 2.789 . 0 0 "[ . 1]" 1
98 1 16 LYS H 1 16 LYS QD 3.051 2.751 3.351 3.365 3.260 3.463 0.112 1 0 "[ . 1]" 1
99 1 16 LYS H 1 16 LYS QG 2.741 2.441 3.041 2.403 2.331 2.425 0.111 1 0 "[ . 1]" 1
100 1 16 LYS H 1 17 ASP H 3.450 3.050 4.450 4.425 4.411 4.450 . 0 0 "[ . 1]" 1
101 1 16 LYS H 1 19 GLU H 3.095 2.995 3.345 3.433 3.408 3.449 0.104 4 0 "[ . 1]" 1
102 1 16 LYS H 1 20 TRP HA . 3.082 3.139 3.236 3.223 3.260 0.121 1 0 "[ . 1]" 1
103 1 16 LYS H 1 20 TRP HE3 3.586 3.286 4.586 4.690 4.675 4.702 0.116 9 0 "[ . 1]" 1
104 1 16 LYS H 1 21 VAL QG 2.721 2.421 3.021 2.432 2.392 2.485 0.029 4 0 "[ . 1]" 1
105 1 16 LYS HA 1 17 ASP H 2.063 2.043 2.443 2.100 2.080 2.131 . 0 0 "[ . 1]" 1
106 1 16 LYS HA 1 18 GLY H 2.624 2.324 3.324 3.359 3.344 3.390 0.066 1 0 "[ . 1]" 1
107 1 16 LYS HA 1 19 GLU H 3.608 3.108 4.608 4.243 4.170 4.302 . 0 0 "[ . 1]" 1
108 1 16 LYS HB2 1 17 ASP H 3.347 3.047 3.647 3.808 3.786 3.825 0.178 7 0 "[ . 1]" 1
109 1 16 LYS HB3 1 17 ASP H 3.523 3.123 3.823 3.016 2.994 3.060 0.130 10 0 "[ . 1]" 1
110 1 16 LYS QG 1 17 ASP H 3.405 2.905 4.405 4.532 4.308 4.602 0.197 4 0 "[ . 1]" 1
111 1 16 LYS QG 1 21 VAL H 3.405 3.105 3.705 3.618 3.454 3.764 0.059 1 0 "[ . 1]" 1
112 1 17 ASP H 1 17 ASP HA 2.143 2.043 2.443 2.287 2.279 2.292 . 0 0 "[ . 1]" 1
113 1 17 ASP H 1 17 ASP HB2 3.242 3.042 3.442 3.070 3.055 3.092 . 0 0 "[ . 1]" 1
114 1 17 ASP H 1 17 ASP QB 2.690 2.390 2.990 2.885 2.875 2.901 . 0 0 "[ . 1]" 1
115 1 17 ASP H 1 17 ASP HB3 3.245 3.045 3.445 3.507 3.502 3.513 0.068 1 0 "[ . 1]" 1
116 1 17 ASP H 1 18 GLY H 2.853 2.353 3.053 2.647 2.611 2.666 . 0 0 "[ . 1]" 1
117 1 17 ASP HA 1 18 GLY H 2.954 2.754 3.154 2.902 2.866 2.930 . 0 0 "[ . 1]" 1
118 1 17 ASP HA 1 19 GLU H 3.608 3.108 4.608 4.312 4.271 4.349 . 0 0 "[ . 1]" 1
119 1 17 ASP HB2 1 18 GLY H 3.559 3.359 4.459 4.531 4.527 4.536 0.077 1 0 "[ . 1]" 1
120 1 17 ASP HB3 1 18 GLY H 3.481 3.281 4.381 4.053 4.028 4.084 . 0 0 "[ . 1]" 1
121 1 18 GLY H 1 18 GLY HA3 2.695 2.395 2.995 2.881 2.868 2.890 . 0 0 "[ . 1]" 1
122 1 18 GLY H 1 19 GLU H 2.768 2.668 3.018 2.618 2.610 2.623 0.058 1 0 "[ . 1]" 1
123 1 19 GLU H 1 19 GLU HA 2.424 2.124 2.724 2.887 2.884 2.888 0.164 3 0 "[ . 1]" 1
124 1 19 GLU H 1 19 GLU HB2 2.724 2.424 3.024 2.614 2.577 2.660 . 0 0 "[ . 1]" 1
125 1 19 GLU H 1 19 GLU HB3 3.509 3.209 3.809 3.727 3.706 3.752 . 0 0 "[ . 1]" 1
126 1 19 GLU H 1 19 GLU HG2 3.237 2.937 3.536 3.600 3.592 3.607 0.071 6 0 "[ . 1]" 1
127 1 19 GLU H 1 19 GLU HG3 2.531 2.231 2.831 2.881 2.873 2.890 0.059 4 0 "[ . 1]" 1
128 1 19 GLU H 1 20 TRP H 3.450 3.050 4.250 4.374 4.356 4.388 0.138 9 0 "[ . 1]" 1
129 1 19 GLU HA 1 20 TRP H 2.271 . 2.571 2.298 2.270 2.319 . 0 0 "[ . 1]" 1
130 1 19 GLU QB 1 20 TRP H 2.610 2.310 2.910 2.438 2.412 2.486 . 0 0 "[ . 1]" 1
131 1 19 GLU QG 1 20 TRP H 3.454 3.154 3.754 3.895 3.871 3.917 0.163 1 0 "[ . 1]" 1
132 1 20 TRP H 1 20 TRP HA . 2.335 2.733 2.869 2.865 2.875 0.142 1 0 "[ . 1]" 1
133 1 20 TRP H 1 20 TRP HB2 2.333 2.033 2.633 2.328 2.307 2.360 . 0 0 "[ . 1]" 1
134 1 20 TRP H 1 20 TRP HB3 3.103 2.703 3.503 3.566 3.556 3.585 0.082 5 0 "[ . 1]" 1
135 1 20 TRP H 1 20 TRP HD1 3.046 2.746 3.346 3.303 3.276 3.350 0.004 1 0 "[ . 1]" 1
136 1 20 TRP HA 1 20 TRP HE3 . 2.374 2.669 2.339 2.323 2.347 0.052 9 0 "[ . 1]" 1
137 1 20 TRP HA 1 20 TRP HZ3 3.485 3.185 4.285 4.461 4.454 4.467 0.182 7 0 "[ . 1]" 1
138 1 20 TRP HA 1 21 VAL H 2.205 2.053 2.505 2.189 2.178 2.210 . 0 0 "[ . 1]" 1
139 1 20 TRP QB 1 20 TRP HD1 2.228 . 2.928 2.517 2.513 2.520 . 0 0 "[ . 1]" 1
140 1 20 TRP QB 1 20 TRP HE3 2.678 2.378 2.978 2.777 2.766 2.789 . 0 0 "[ . 1]" 1
141 1 20 TRP QB 1 21 VAL H 3.250 2.950 3.550 3.233 3.104 3.346 . 0 0 "[ . 1]" 1
142 1 20 TRP HE3 1 21 VAL H 3.375 3.075 3.675 3.078 3.048 3.147 0.027 2 0 "[ . 1]" 1
143 1 21 VAL H 1 21 VAL HA . 2.538 2.851 2.919 2.916 2.923 0.072 1 0 "[ . 1]" 1
144 1 21 VAL H 1 21 VAL HB 3.099 2.799 3.399 3.401 3.298 3.443 0.044 2 0 "[ . 1]" 1
145 1 21 VAL H 1 21 VAL QG . 2.511 2.735 2.395 2.352 2.437 0.159 2 0 "[ . 1]" 1
146 1 21 VAL HA 1 22 LEU H 1.918 . 2.218 2.192 2.139 2.226 0.008 10 0 "[ . 1]" 1
147 1 21 VAL HB 1 22 LEU H 2.851 2.551 3.251 3.386 3.350 3.427 0.176 1 0 "[ . 1]" 1
148 1 21 VAL QG 1 22 LEU H 2.464 2.164 2.764 2.717 2.677 2.774 0.010 2 0 "[ . 1]" 1
149 1 21 VAL MG1 1 22 LEU H 3.010 2.710 3.310 2.745 2.702 2.806 0.008 3 0 "[ . 1]" 1
150 1 22 LEU H 1 22 LEU HA 2.591 2.310 2.891 2.869 2.865 2.875 . 0 0 "[ . 1]" 1
151 1 22 LEU H 1 22 LEU HB2 2.667 2.367 3.267 3.312 3.284 3.354 0.087 9 0 "[ . 1]" 1
152 1 22 LEU H 1 22 LEU HB3 2.315 2.015 3.315 3.474 3.416 3.500 0.186 1 0 "[ . 1]" 1
153 1 22 LEU H 1 22 LEU HG 2.540 2.140 3.440 3.502 3.462 3.524 0.084 1 0 "[ . 1]" 1
154 1 22 LEU HA 1 23 LEU H 1.925 . 2.225 2.007 1.963 2.035 . 0 0 "[ . 1]" 1
155 1 22 LEU MD1 1 23 LEU H 3.159 2.859 4.059 4.248 4.200 4.339 0.280 9 0 "[ . 1]" 1
156 1 22 LEU MD2 1 23 LEU H 3.220 2.820 4.220 4.336 4.319 4.347 0.127 8 0 "[ . 1]" 1
157 1 23 LEU H 1 23 LEU HA 2.670 2.370 2.970 2.838 2.816 2.873 . 0 0 "[ . 1]" 1
158 1 23 LEU H 1 23 LEU QB . 2.237 2.451 2.292 2.175 2.428 0.062 1 0 "[ . 1]" 1
159 1 23 LEU H 1 23 LEU QD 2.880 2.580 3.180 3.018 2.563 3.238 0.058 7 0 "[ . 1]" 1
160 1 23 LEU HA 1 24 SER H 2.960 2.660 3.160 2.775 2.618 3.270 0.110 4 0 "[ . 1]" 1
161 1 24 SER H 1 24 SER QB 2.338 2.189 2.638 2.530 2.157 2.772 0.134 8 0 "[ . 1]" 1
162 1 25 THR H 1 25 THR HA 2.614 2.314 2.914 2.880 2.852 2.895 . 0 0 "[ . 1]" 1
163 1 25 THR H 1 25 THR HB 2.712 2.412 3.012 2.795 2.445 3.017 0.005 1 0 "[ . 1]" 1
164 1 25 THR HB 1 26 PHE H 2.724 . 3.624 3.062 1.900 3.648 0.024 8 0 "[ . 1]" 1
165 1 26 PHE H 1 26 PHE QB 2.377 2.077 2.677 2.416 2.138 2.660 . 0 0 "[ . 1]" 1
166 1 26 PHE QB 1 26 PHE QD 2.215 . 2.515 2.129 2.124 2.146 . 0 0 "[ . 1]" 1
167 1 26 PHE QD 1 27 LEU QB 2.927 2.627 3.227 3.018 2.618 3.255 0.028 1 0 "[ . 1]" 1
168 1 26 PHE QD 1 27 LEU QD 3.210 2.910 3.510 3.338 3.056 3.543 0.033 1 0 "[ . 1]" 1
169 1 27 LEU H 1 27 LEU QB 2.401 2.101 2.701 2.474 2.101 2.766 0.066 4 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, July 2, 2024 2:00:25 PM GMT (wattos1)