NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596673 |
2n68   |
25754 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n68
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 159
_Distance_constraint_stats_list.Viol_count 499
_Distance_constraint_stats_list.Viol_total 2589.018
_Distance_constraint_stats_list.Viol_max 1.043
_Distance_constraint_stats_list.Viol_rms 0.1333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0407
_Distance_constraint_stats_list.Viol_average_violations_only 0.2594
_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 1.957 0.339 5 0 "[ . 1 . 2]"
1 2 LEU 16.007 0.932 18 10 "[*** -*** 1** . + 2]"
1 3 SER 11.688 0.538 7 2 "[ . + 1 - . 2]"
1 4 GLN 7.250 0.444 18 0 "[ . 1 . 2]"
1 5 GLY 1.981 0.373 5 0 "[ . 1 . 2]"
1 6 VAL 0.678 0.152 20 0 "[ . 1 . 2]"
1 7 GLU 13.588 0.890 10 6 "[ - . *+ ** *]"
1 8 PRO 10.709 0.886 18 4 "[ - *1 . *+ 2]"
1 9 ASP 17.281 0.654 11 8 "[ *-* *1+* *. * 2]"
1 10 ILE 18.475 0.902 4 14 "[* *+.** ****** ** *]"
1 11 GLY 6.865 0.790 17 4 "[ . * 1 - +* 2]"
1 12 GLN 11.058 0.839 4 8 "[ +. * 1 * .****-]"
1 13 THR 2.945 0.839 4 2 "[ +. 1 . -2]"
1 14 TYR 35.943 1.043 13 20 [****-*******+*******]
1 15 PHE 32.084 1.043 13 20 [**-*********+*******]
1 16 GLU 3.366 0.538 7 2 "[ . + 1 - . 2]"
1 17 GLU 12.000 0.873 7 6 "[ .*+ * * *. - 2]"
1 18 SER 3.366 0.328 14 0 "[ . 1 . 2]"
1 19 ARG 5.442 0.755 11 4 "[ . 1+ * .* -2]"
1 20 ILE 5.198 0.548 19 1 "[ . 1 . +2]"
1 21 ASN 2.393 0.396 19 0 "[ . 1 . 2]"
1 22 GLN 2.341 0.507 17 1 "[ . 1 . + 2]"
1 23 ASP 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 GLY H1 1 1 GLY QA . . 2.590 2.417 2.164 2.534 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY H1 1 2 LEU H . . 4.270 4.291 3.946 4.451 0.181 10 0 "[ . 1 . 2]" 1
3 1 1 GLY H1 1 10 ILE MD . . 4.270 3.294 2.579 3.922 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 2 LEU H . . 2.540 2.150 1.958 2.237 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY QA 1 3 SER H . . 4.140 3.559 3.224 3.829 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLY QA 1 9 ASP H . . 5.570 3.723 2.653 4.127 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLY QA 1 9 ASP HB3 . . 2.750 2.021 1.847 2.270 . 0 0 "[ . 1 . 2]" 1
8 1 1 GLY QA 1 10 ILE H . . 4.270 3.166 2.701 3.874 . 0 0 "[ . 1 . 2]" 1
9 1 1 GLY QA 1 15 PHE HA . . 2.800 2.708 2.268 3.139 0.339 5 0 "[ . 1 . 2]" 1
10 1 1 GLY QA 1 15 PHE QE . . 5.010 4.361 3.281 4.807 . 0 0 "[ . 1 . 2]" 1
11 1 2 LEU H 1 2 LEU QB . . 3.050 2.898 2.321 3.459 0.409 17 0 "[ . 1 . 2]" 1
12 1 2 LEU H 1 2 LEU HG . . 3.100 2.979 2.282 3.440 0.340 11 0 "[ . 1 . 2]" 1
13 1 2 LEU H 1 3 SER H . . 2.750 2.041 1.768 2.548 . 0 0 "[ . 1 . 2]" 1
14 1 2 LEU HA 1 3 SER H . . 3.280 3.354 3.117 3.606 0.326 12 0 "[ . 1 . 2]" 1
15 1 2 LEU HA 1 14 TYR H . . 4.400 4.879 4.209 5.332 0.932 18 10 "[*** -*** 1** . + 2]" 1
16 1 2 LEU QB 1 3 SER H . . 4.790 3.508 2.650 4.081 . 0 0 "[ . 1 . 2]" 1
17 1 3 SER H 1 3 SER HB2 . . 2.800 2.768 2.268 3.086 0.286 7 0 "[ . 1 . 2]" 1
18 1 3 SER H 1 3 SER HB3 . . 4.190 3.718 2.761 4.013 . 0 0 "[ . 1 . 2]" 1
19 1 3 SER H 1 4 GLN H . . 4.140 4.330 4.085 4.584 0.444 18 0 "[ . 1 . 2]" 1
20 1 3 SER H 1 13 THR HB . . 3.100 2.932 2.433 3.378 0.278 17 0 "[ . 1 . 2]" 1
21 1 3 SER HA 1 4 GLN H . . 2.970 2.598 2.336 2.989 0.019 15 0 "[ . 1 . 2]" 1
22 1 3 SER HB2 1 4 GLN H . . 3.710 3.326 2.620 3.798 0.088 17 0 "[ . 1 . 2]" 1
23 1 3 SER HB2 1 16 GLU H . . 4.750 4.392 3.670 4.861 0.111 12 0 "[ . 1 . 2]" 1
24 1 3 SER HB2 1 16 GLU HB2 . . 4.620 4.353 3.388 5.158 0.538 7 2 "[ . + 1 - . 2]" 1
25 1 3 SER HB2 1 17 GLU HB3 . . 4.880 4.526 2.872 5.311 0.431 19 0 "[ . 1 . 2]" 1
26 1 3 SER HB3 1 4 GLN H . . 2.750 2.131 1.672 2.422 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLN H 1 4 GLN QB . . 3.050 2.420 2.218 2.722 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLN H 1 4 GLN HE21 . . 4.620 3.960 2.945 4.722 0.102 14 0 "[ . 1 . 2]" 1
29 1 4 GLN H 1 4 GLN QG . . 3.840 2.773 1.956 3.769 . 0 0 "[ . 1 . 2]" 1
30 1 4 GLN H 1 14 TYR H . . 4.620 4.754 4.456 5.006 0.386 12 0 "[ . 1 . 2]" 1
31 1 4 GLN HA 1 5 GLY H . . 2.620 2.325 2.152 2.665 0.045 7 0 "[ . 1 . 2]" 1
32 1 4 GLN QB 1 5 GLY H . . 3.280 2.802 2.039 3.321 0.041 17 0 "[ . 1 . 2]" 1
33 1 4 GLN QG 1 5 GLY H . . 5.050 3.964 3.109 4.531 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLY H 1 5 GLY HA2 . . 3.050 2.820 2.648 2.938 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLY H 1 14 TYR HB3 . . 4.570 3.965 3.631 4.448 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLY H 1 14 TYR QD . . 3.400 3.013 2.411 3.411 0.011 12 0 "[ . 1 . 2]" 1
37 1 5 GLY H 1 14 TYR QE . . 4.140 3.917 3.231 4.214 0.074 9 0 "[ . 1 . 2]" 1
38 1 5 GLY HA2 1 6 VAL H . . 3.100 2.770 2.255 3.046 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLY HA2 1 14 TYR HB2 . . 4.270 4.057 3.656 4.481 0.211 13 0 "[ . 1 . 2]" 1
40 1 5 GLY HA2 1 17 GLU HB2 . . 4.750 4.300 2.957 5.123 0.373 5 0 "[ . 1 . 2]" 1
41 1 5 GLY HA3 1 6 VAL H . . 3.360 2.235 2.057 2.511 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLY HA3 1 14 TYR HB2 . . 3.360 2.618 2.133 3.292 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLY HA3 1 14 TYR HB3 . . 4.320 2.923 2.267 3.284 . 0 0 "[ . 1 . 2]" 1
44 1 6 VAL H 1 6 VAL HA . . 2.970 2.960 2.869 3.034 0.064 19 0 "[ . 1 . 2]" 1
45 1 6 VAL H 1 6 VAL HB . . 4.190 3.166 2.404 3.895 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL H 1 6 VAL MG1 . . 4.010 2.960 2.019 3.853 . 0 0 "[ . 1 . 2]" 1
47 1 6 VAL H 1 6 VAL MG2 . . 3.970 2.705 2.071 4.006 0.036 8 0 "[ . 1 . 2]" 1
48 1 6 VAL HA 1 6 VAL HB . . 2.970 2.599 2.306 3.049 0.079 17 0 "[ . 1 . 2]" 1
49 1 6 VAL HA 1 7 GLU H . . 3.660 3.418 3.310 3.589 . 0 0 "[ . 1 . 2]" 1
50 1 6 VAL HB 1 7 GLU H . . 4.480 3.864 2.767 4.632 0.152 20 0 "[ . 1 . 2]" 1
51 1 6 VAL MG1 1 7 GLU H . . 4.400 3.770 2.571 4.278 . 0 0 "[ . 1 . 2]" 1
52 1 7 GLU H 1 7 GLU HB2 . . 3.100 2.736 2.124 3.139 0.039 5 0 "[ . 1 . 2]" 1
53 1 7 GLU H 1 7 GLU HB3 . . 3.320 2.628 2.366 3.754 0.434 11 0 "[ . 1 . 2]" 1
54 1 7 GLU H 1 14 TYR HB3 . . 3.490 2.600 2.305 2.955 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLU H 1 14 TYR QD . . 4.090 2.663 2.286 3.105 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLU HA 1 8 PRO HD2 . . 3.100 2.308 2.150 2.590 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLU HA 1 8 PRO HD3 . . 3.280 2.709 2.390 2.952 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLU HA 1 14 TYR QD . . 4.750 3.578 3.415 3.820 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLU HB2 1 15 PHE QD . . 3.530 3.773 2.099 4.420 0.890 10 5 "[ - . *+ ** 2]" 1
60 1 7 GLU HB2 1 15 PHE QE . . 4.570 4.328 3.321 5.274 0.704 9 2 "[ . +1 . -]" 1
61 1 7 GLU HB3 1 15 PHE H . . 5.090 4.394 2.736 5.804 0.714 3 1 "[ + . 1 . 2]" 1
62 1 7 GLU HB3 1 15 PHE QD . . 3.490 2.409 2.029 3.162 . 0 0 "[ . 1 . 2]" 1
63 1 7 GLU HB3 1 15 PHE QE . . 4.750 3.173 2.137 4.292 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLU HG2 1 15 PHE QD . . 4.010 3.592 2.752 4.238 0.228 3 0 "[ . 1 . 2]" 1
65 1 8 PRO HA 1 9 ASP H . . 2.460 2.047 1.881 2.254 . 0 0 "[ . 1 . 2]" 1
66 1 8 PRO HA 1 14 TYR HA . . 2.840 2.117 1.906 2.653 . 0 0 "[ . 1 . 2]" 1
67 1 8 PRO HA 1 14 TYR QD . . 3.190 3.000 2.652 3.331 0.141 14 0 "[ . 1 . 2]" 1
68 1 8 PRO HA 1 14 TYR QE . . 4.090 3.931 3.671 4.217 0.127 14 0 "[ . 1 . 2]" 1
69 1 8 PRO HB2 1 14 TYR QD . . 5.220 4.738 4.437 4.908 . 0 0 "[ . 1 . 2]" 1
70 1 8 PRO HB2 1 14 TYR QE . . 4.570 4.463 4.123 4.989 0.419 18 0 "[ . 1 . 2]" 1
71 1 8 PRO HB3 1 9 ASP H . . 4.060 3.604 3.102 4.274 0.214 14 0 "[ . 1 . 2]" 1
72 1 8 PRO HD2 1 14 TYR QD . . 4.090 3.777 3.568 4.085 . 0 0 "[ . 1 . 2]" 1
73 1 8 PRO HD2 1 14 TYR QE . . 3.970 4.038 3.657 4.856 0.886 18 1 "[ . 1 . + 2]" 1
74 1 8 PRO QG 1 9 ASP H . . 4.320 4.643 4.413 4.895 0.575 17 3 "[ - *1 . + 2]" 1
75 1 8 PRO QG 1 14 TYR QD . . 4.620 3.573 2.916 4.109 . 0 0 "[ . 1 . 2]" 1
76 1 8 PRO QG 1 14 TYR QE . . 3.790 2.418 2.072 2.993 . 0 0 "[ . 1 . 2]" 1
77 1 9 ASP H 1 9 ASP HB2 . . 3.450 2.988 2.564 3.349 . 0 0 "[ . 1 . 2]" 1
78 1 9 ASP H 1 9 ASP HB3 . . 2.840 2.182 1.825 2.535 . 0 0 "[ . 1 . 2]" 1
79 1 9 ASP H 1 10 ILE H . . 3.360 2.826 2.059 3.528 0.168 6 0 "[ . 1 . 2]" 1
80 1 9 ASP H 1 14 TYR HA . . 2.670 2.357 1.907 2.628 . 0 0 "[ . 1 . 2]" 1
81 1 9 ASP H 1 14 TYR HB3 . . 4.570 4.485 3.912 4.785 0.215 18 0 "[ . 1 . 2]" 1
82 1 9 ASP H 1 14 TYR QD . . 4.570 4.506 4.209 4.710 0.140 15 0 "[ . 1 . 2]" 1
83 1 9 ASP HA 1 10 ILE H . . 4.060 3.536 3.443 3.667 . 0 0 "[ . 1 . 2]" 1
84 1 9 ASP HB2 1 10 ILE H . . 3.320 3.666 3.409 3.974 0.654 11 6 "[ *-. 1+* *. * 2]" 1
85 1 9 ASP HB3 1 10 ILE H . . 2.460 2.329 1.845 3.037 0.577 14 2 "[ . 1- +. 2]" 1
86 1 10 ILE H 1 10 ILE HB . . 3.100 2.819 2.266 3.789 0.689 1 2 "[+ . 1 . -]" 1
87 1 10 ILE H 1 10 ILE HG12 . . 3.880 2.900 1.936 3.851 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE H 1 10 ILE HG13 . . 3.320 3.159 2.320 4.222 0.902 4 6 "[ +.- * **. * 2]" 1
89 1 10 ILE HA 1 10 ILE HG12 . . 4.140 3.111 2.221 3.970 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE HA 1 11 GLY H . . 2.750 2.371 1.880 3.338 0.588 7 1 "[ . + 1 . 2]" 1
91 1 10 ILE HB 1 11 GLY H . . 3.880 3.497 1.868 4.406 0.526 15 1 "[ . 1 + 2]" 1
92 1 10 ILE MG 1 11 GLY H . . 4.400 2.733 1.722 3.763 . 0 0 "[ . 1 . 2]" 1
93 1 11 GLY H 1 11 GLY HA2 . . 2.670 2.542 2.192 2.894 0.224 5 0 "[ . 1 . 2]" 1
94 1 11 GLY HA2 1 12 GLN H . . 3.490 3.244 1.914 3.581 0.091 6 0 "[ . 1 . 2]" 1
95 1 11 GLY HA3 1 12 GLN H . . 2.490 2.537 2.061 3.280 0.790 17 2 "[ . 1 . +- 2]" 1
96 1 12 GLN H 1 12 GLN HB3 . . 3.050 3.051 2.252 3.785 0.735 19 8 "[ *. * 1 * .***+-]" 1
97 1 12 GLN H 1 12 GLN QG . . 4.190 3.355 2.108 4.217 0.027 17 0 "[ . 1 . 2]" 1
98 1 12 GLN HA 1 12 GLN QG . . 3.630 2.681 1.986 3.446 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLN HB2 1 13 THR H . . 4.660 3.922 2.610 4.445 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLN HB3 1 12 GLN QG . . 2.670 2.372 2.092 2.544 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLN HB3 1 13 THR H . . 4.620 3.461 1.879 4.474 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLN QG 1 13 THR H . . 4.090 3.843 2.989 4.929 0.839 4 2 "[ +. 1 . -2]" 1
103 1 13 THR HA 1 14 TYR H . . 2.670 2.434 2.178 2.692 0.022 17 0 "[ . 1 . 2]" 1
104 1 13 THR HA 1 14 TYR QD . . 2.800 2.184 1.964 2.368 . 0 0 "[ . 1 . 2]" 1
105 1 13 THR HA 1 14 TYR QE . . 3.630 2.963 2.367 3.520 . 0 0 "[ . 1 . 2]" 1
106 1 13 THR HB 1 14 TYR H . . 2.280 2.080 1.724 2.338 0.058 5 0 "[ . 1 . 2]" 1
107 1 13 THR MG 1 14 TYR H . . 4.400 3.437 2.969 3.722 . 0 0 "[ . 1 . 2]" 1
108 1 14 TYR H 1 14 TYR HB2 . . 2.920 2.592 2.299 2.807 . 0 0 "[ . 1 . 2]" 1
109 1 14 TYR H 1 14 TYR HB3 . . 3.880 3.699 3.557 3.842 . 0 0 "[ . 1 . 2]" 1
110 1 14 TYR H 1 14 TYR QD . . 3.450 2.280 1.946 2.535 . 0 0 "[ . 1 . 2]" 1
111 1 14 TYR H 1 14 TYR QE . . 4.930 4.427 4.091 4.757 . 0 0 "[ . 1 . 2]" 1
112 1 14 TYR H 1 15 PHE H . . 3.450 3.508 2.742 4.493 1.043 13 8 "[ . *** +** - *]" 1
113 1 14 TYR HA 1 14 TYR QD . . 4.140 3.326 3.160 3.546 . 0 0 "[ . 1 . 2]" 1
114 1 14 TYR HA 1 15 PHE H . . 2.710 3.127 2.398 3.577 0.867 8 12 "[*******+ 1 * .* *-2]" 1
115 1 14 TYR HB2 1 15 PHE H . . 3.710 2.382 1.784 3.415 . 0 0 "[ . 1 . 2]" 1
116 1 14 TYR HB3 1 15 PHE H . . 2.890 2.493 1.831 2.996 0.106 7 0 "[ . 1 . 2]" 1
117 1 14 TYR QD 1 15 PHE H . . 4.400 3.934 3.736 4.134 . 0 0 "[ . 1 . 2]" 1
118 1 15 PHE H 1 15 PHE HB2 . . 2.710 2.525 2.150 2.903 0.193 4 0 "[ . 1 . 2]" 1
119 1 15 PHE H 1 15 PHE HB3 . . 3.970 3.650 3.426 3.897 . 0 0 "[ . 1 . 2]" 1
120 1 15 PHE H 1 15 PHE QD . . 3.660 2.990 2.121 4.104 0.444 18 0 "[ . 1 . 2]" 1
121 1 15 PHE HA 1 15 PHE QD . . 3.360 2.903 2.022 3.104 . 0 0 "[ . 1 . 2]" 1
122 1 15 PHE HA 1 15 PHE QE . . 4.450 4.366 4.196 4.552 0.102 13 0 "[ . 1 . 2]" 1
123 1 15 PHE HA 1 16 GLU H . . 2.490 2.326 2.126 2.651 0.161 12 0 "[ . 1 . 2]" 1
124 1 15 PHE HB3 1 16 GLU H . . 3.400 2.708 2.261 3.219 . 0 0 "[ . 1 . 2]" 1
125 1 15 PHE QD 1 16 GLU H . . 4.490 3.533 3.228 4.096 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLU H 1 16 GLU HB2 . . 3.020 2.446 2.182 2.909 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLU H 1 16 GLU HB3 . . 3.020 2.558 2.312 3.013 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLU HA 1 17 GLU H . . 2.360 2.301 1.975 2.559 0.199 1 0 "[ . 1 . 2]" 1
129 1 16 GLU HB2 1 17 GLU H . . 4.620 4.512 4.246 4.710 0.090 18 0 "[ . 1 . 2]" 1
130 1 16 GLU QG 1 17 GLU H . . 4.830 3.785 2.573 4.600 . 0 0 "[ . 1 . 2]" 1
131 1 17 GLU H 1 17 GLU HB2 . . 3.190 2.356 1.840 3.259 0.069 7 0 "[ . 1 . 2]" 1
132 1 17 GLU H 1 17 GLU HB3 . . 3.320 2.855 2.002 3.748 0.428 2 0 "[ . 1 . 2]" 1
133 1 17 GLU H 1 17 GLU HG2 . . 3.920 3.884 2.447 4.793 0.873 7 6 "[ .*+ * * *. - 2]" 1
134 1 17 GLU H 1 17 GLU HG3 . . 4.930 4.027 2.368 4.497 . 0 0 "[ . 1 . 2]" 1
135 1 17 GLU HA 1 17 GLU HG3 . . 4.350 3.036 2.185 3.823 . 0 0 "[ . 1 . 2]" 1
136 1 17 GLU HB2 1 18 SER H . . 4.350 3.761 2.537 4.548 0.198 5 0 "[ . 1 . 2]" 1
137 1 17 GLU HB3 1 18 SER H . . 3.760 2.976 2.003 4.011 0.251 15 0 "[ . 1 . 2]" 1
138 1 18 SER H 1 18 SER HA . . 2.620 2.630 2.037 2.948 0.328 14 0 "[ . 1 . 2]" 1
139 1 18 SER H 1 18 SER QB . . 3.920 2.711 2.025 3.336 . 0 0 "[ . 1 . 2]" 1
140 1 18 SER HA 1 19 ARG H . . 2.620 2.380 2.031 2.691 0.071 1 0 "[ . 1 . 2]" 1
141 1 19 ARG H 1 19 ARG HB2 . . 3.760 2.792 2.041 3.430 . 0 0 "[ . 1 . 2]" 1
142 1 19 ARG H 1 19 ARG HB3 . . 3.150 2.956 2.159 3.905 0.755 11 3 "[ . 1+ - .* 2]" 1
143 1 19 ARG H 1 19 ARG QG . . 4.190 3.735 2.301 4.241 0.051 8 0 "[ . 1 . 2]" 1
144 1 19 ARG H 1 20 ILE H . . 3.320 2.895 1.920 3.609 0.289 18 0 "[ . 1 . 2]" 1
145 1 19 ARG HA 1 20 ILE H . . 2.840 2.724 2.188 3.388 0.548 19 1 "[ . 1 . +2]" 1
146 1 19 ARG HB3 1 20 ILE H . . 4.750 4.201 3.743 4.601 . 0 0 "[ . 1 . 2]" 1
147 1 19 ARG QG 1 20 ILE H . . 5.870 4.277 3.056 4.763 . 0 0 "[ . 1 . 2]" 1
148 1 20 ILE H 1 20 ILE HB . . 3.020 2.568 2.292 2.896 . 0 0 "[ . 1 . 2]" 1
149 1 20 ILE H 1 20 ILE HG12 . . 3.970 3.185 1.837 3.880 . 0 0 "[ . 1 . 2]" 1
150 1 20 ILE H 1 20 ILE HG13 . . 3.790 2.579 1.716 4.236 0.446 3 0 "[ . 1 . 2]" 1
151 1 20 ILE HA 1 21 ASN H . . 2.970 2.195 1.998 3.366 0.396 19 0 "[ . 1 . 2]" 1
152 1 20 ILE HB 1 21 ASN H . . 4.090 4.099 3.273 4.324 0.234 20 0 "[ . 1 . 2]" 1
153 1 20 ILE MG 1 21 ASN H . . 5.390 2.733 2.156 4.125 . 0 0 "[ . 1 . 2]" 1
154 1 21 ASN H 1 21 ASN HB3 . . 3.710 3.023 2.388 3.753 0.043 8 0 "[ . 1 . 2]" 1
155 1 21 ASN HA 1 22 GLN H . . 3.100 2.278 1.983 2.889 . 0 0 "[ . 1 . 2]" 1
156 1 21 ASN HB2 1 22 GLN H . . 5.920 3.928 2.132 4.644 . 0 0 "[ . 1 . 2]" 1
157 1 21 ASN HB3 1 22 GLN H . . 4.830 3.702 2.359 4.621 . 0 0 "[ . 1 . 2]" 1
158 1 22 GLN H 1 22 GLN HB3 . . 3.360 3.065 2.190 3.867 0.507 17 1 "[ . 1 . + 2]" 1
159 1 22 GLN HA 1 23 ASP H . . 3.580 2.610 2.040 3.491 . 0 0 "[ . 1 . 2]" 1
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