NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
530532 |
2ljq   |
17955 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ljq
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 311
_Distance_constraint_stats_list.Viol_count 237
_Distance_constraint_stats_list.Viol_total 200.333
_Distance_constraint_stats_list.Viol_max 0.352
_Distance_constraint_stats_list.Viol_rms 0.0151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0423
_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 LYS 0.207 0.031 15 0 "[ . 1 . 2]"
1 2 TYR 2.880 0.302 16 0 "[ . 1 . 2]"
1 3 TYR 2.395 0.302 16 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASN 0.396 0.145 20 0 "[ . 1 . 2]"
1 6 GLY 0.243 0.145 20 0 "[ . 1 . 2]"
1 7 VAL 0.003 0.003 4 0 "[ . 1 . 2]"
1 8 HIS 0.977 0.251 12 0 "[ . 1 . 2]"
1 9 SER 1.123 0.190 9 0 "[ . 1 . 2]"
1 10 THR 0.809 0.138 9 0 "[ . 1 . 2]"
1 11 LYS 0.066 0.063 12 0 "[ . 1 . 2]"
1 12 SER 0.002 0.002 17 0 "[ . 1 . 2]"
1 13 GLY 0.027 0.015 17 0 "[ . 1 . 2]"
1 14 SER 0.222 0.135 16 0 "[ . 1 . 2]"
1 15 SER 0.069 0.048 12 0 "[ . 1 . 2]"
1 16 VAL 0.411 0.113 13 0 "[ . 1 . 2]"
1 17 ASN 0.526 0.113 13 0 "[ . 1 . 2]"
1 18 TRP 1.132 0.075 13 0 "[ . 1 . 2]"
1 19 GLY 0.049 0.013 5 0 "[ . 1 . 2]"
1 20 GLU 0.022 0.021 18 0 "[ . 1 . 2]"
1 21 ALA 0.008 0.008 18 0 "[ . 1 . 2]"
1 22 PHE 0.913 0.072 17 0 "[ . 1 . 2]"
1 23 SER 0.283 0.228 17 0 "[ . 1 . 2]"
1 24 ALA 0.075 0.072 17 0 "[ . 1 . 2]"
1 25 GLY 0.004 0.002 6 0 "[ . 1 . 2]"
1 26 VAL 0.700 0.228 17 0 "[ . 1 . 2]"
1 27 HIS 0.328 0.131 17 0 "[ . 1 . 2]"
1 28 ARG 0.169 0.166 11 0 "[ . 1 . 2]"
1 29 LEU 0.316 0.166 11 0 "[ . 1 . 2]"
1 30 ALA 0.011 0.004 11 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.007 0.006 1 0 "[ . 1 . 2]"
1 34 ASN 0.007 0.006 1 0 "[ . 1 . 2]"
1 35 GLY 0.002 0.002 11 0 "[ . 1 . 2]"
1 36 PHE 1.745 0.352 20 0 "[ . 1 . 2]"
1 37 TRP 1.745 0.352 20 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 LYS HA 1 1 LYS QD . . 4.610 3.633 2.092 4.414 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 2 TYR H . . 3.370 2.779 2.141 3.401 0.031 15 0 "[ . 1 . 2]" 1
3 1 1 LYS QB 1 2 TYR H . . 3.840 3.501 2.656 3.868 0.028 18 0 "[ . 1 . 2]" 1
4 1 1 LYS QG 1 2 TYR H . . 5.010 4.152 2.531 4.837 . 0 0 "[ . 1 . 2]" 1
5 1 2 TYR H 1 2 TYR QB . . 3.680 2.779 2.174 3.370 . 0 0 "[ . 1 . 2]" 1
6 1 2 TYR H 1 3 TYR H . . 4.930 4.058 2.898 4.592 . 0 0 "[ . 1 . 2]" 1
7 1 2 TYR H 1 5 ASN H . . 4.600 4.236 2.615 4.655 0.055 17 0 "[ . 1 . 2]" 1
8 1 2 TYR H 1 5 ASN QB . . 5.500 4.372 2.990 5.558 0.058 18 0 "[ . 1 . 2]" 1
9 1 2 TYR H 1 22 PHE HZ . . 5.500 5.070 4.646 5.505 0.005 12 0 "[ . 1 . 2]" 1
10 1 2 TYR HA 1 3 TYR H . . 3.250 2.661 2.144 3.552 0.302 16 0 "[ . 1 . 2]" 1
11 1 2 TYR HA 1 3 TYR HA . . 4.420 4.405 4.324 4.622 0.202 20 0 "[ . 1 . 2]" 1
12 1 2 TYR HA 1 3 TYR QB . . 5.060 4.412 4.042 5.122 0.062 15 0 "[ . 1 . 2]" 1
13 1 2 TYR HA 1 22 PHE QD . . 5.500 4.930 3.784 5.572 0.072 17 0 "[ . 1 . 2]" 1
14 1 2 TYR HA 1 22 PHE HZ . . 4.020 2.908 1.995 4.078 0.058 17 0 "[ . 1 . 2]" 1
15 1 2 TYR QB 1 3 TYR H . . 3.910 2.390 1.883 3.287 . 0 0 "[ . 1 . 2]" 1
16 1 2 TYR QB 1 3 TYR HA . . 4.700 4.347 3.876 4.817 0.117 5 0 "[ . 1 . 2]" 1
17 1 2 TYR QB 1 3 TYR QB . . 5.180 3.609 3.120 4.424 . 0 0 "[ . 1 . 2]" 1
18 1 2 TYR QB 1 22 PHE QD . . 5.340 4.639 3.702 5.389 0.049 18 0 "[ . 1 . 2]" 1
19 1 2 TYR QB 1 22 PHE HZ . . 3.650 2.474 1.941 3.513 . 0 0 "[ . 1 . 2]" 1
20 1 2 TYR HB2 1 3 TYR H . . 4.450 2.961 2.023 4.377 . 0 0 "[ . 1 . 2]" 1
21 1 2 TYR HB2 1 22 PHE HZ . . 4.170 3.496 2.270 4.187 0.017 8 0 "[ . 1 . 2]" 1
22 1 2 TYR HB3 1 3 TYR H . . 4.450 2.832 1.912 4.073 . 0 0 "[ . 1 . 2]" 1
23 1 2 TYR HB3 1 22 PHE HZ . . 4.170 2.874 1.980 4.178 0.008 7 0 "[ . 1 . 2]" 1
24 1 3 TYR H 1 3 TYR HB2 . . 4.180 3.146 2.161 3.978 . 0 0 "[ . 1 . 2]" 1
25 1 3 TYR H 1 3 TYR QB . . 3.510 2.626 2.140 2.958 . 0 0 "[ . 1 . 2]" 1
26 1 3 TYR H 1 3 TYR HB3 . . 4.180 3.036 2.366 3.817 . 0 0 "[ . 1 . 2]" 1
27 1 3 TYR H 1 4 GLY H . . 4.650 2.971 2.040 4.541 . 0 0 "[ . 1 . 2]" 1
28 1 3 TYR H 1 22 PHE QD . . 5.480 4.962 4.136 5.523 0.043 13 0 "[ . 1 . 2]" 1
29 1 3 TYR H 1 22 PHE HZ . . 4.440 2.482 1.943 3.929 . 0 0 "[ . 1 . 2]" 1
30 1 3 TYR HA 1 22 PHE QD . . 5.500 5.108 3.874 5.532 0.032 13 0 "[ . 1 . 2]" 1
31 1 3 TYR HA 1 22 PHE HZ . . 4.380 3.750 2.187 4.404 0.024 16 0 "[ . 1 . 2]" 1
32 1 3 TYR QB 1 22 PHE QD . . 5.340 4.148 2.912 5.324 . 0 0 "[ . 1 . 2]" 1
33 1 3 TYR HB2 1 4 GLY H . . 4.900 4.310 3.228 4.636 . 0 0 "[ . 1 . 2]" 1
34 1 3 TYR HB2 1 22 PHE HZ . . 4.290 3.425 2.009 4.298 0.008 8 0 "[ . 1 . 2]" 1
35 1 3 TYR HB3 1 4 GLY H . . 4.900 4.111 2.492 4.658 . 0 0 "[ . 1 . 2]" 1
36 1 3 TYR HB3 1 22 PHE HZ . . 4.290 3.561 2.336 4.302 0.012 20 0 "[ . 1 . 2]" 1
37 1 4 GLY H 1 5 ASN H . . 4.820 2.396 1.898 3.473 . 0 0 "[ . 1 . 2]" 1
38 1 5 ASN H 1 5 ASN QB . . 3.490 2.628 2.193 3.388 . 0 0 "[ . 1 . 2]" 1
39 1 5 ASN H 1 6 GLY H . . 4.260 3.827 2.341 4.405 0.145 20 0 "[ . 1 . 2]" 1
40 1 5 ASN QB 1 6 GLY H . . 4.080 3.610 1.956 4.052 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLY H 1 7 VAL H . . 4.640 3.780 2.113 4.643 0.003 4 0 "[ . 1 . 2]" 1
42 1 6 GLY QA 1 8 HIS H . . 3.760 3.348 2.998 3.783 0.023 12 0 "[ . 1 . 2]" 1
43 1 6 GLY HA2 1 8 HIS H . . 4.630 3.742 3.357 4.392 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLY HA3 1 8 HIS H . . 4.630 3.967 3.230 4.630 0.000 16 0 "[ . 1 . 2]" 1
45 1 7 VAL H 1 7 VAL HB . . 3.830 2.951 2.509 3.632 . 0 0 "[ . 1 . 2]" 1
46 1 7 VAL H 1 7 VAL MG1 . . 4.710 3.139 1.926 3.782 . 0 0 "[ . 1 . 2]" 1
47 1 7 VAL H 1 7 VAL QG . . 3.360 2.098 1.859 2.359 . 0 0 "[ . 1 . 2]" 1
48 1 7 VAL H 1 7 VAL MG2 . . 4.710 2.318 1.925 3.778 . 0 0 "[ . 1 . 2]" 1
49 1 7 VAL H 1 8 HIS H . . 3.880 2.486 2.403 2.684 . 0 0 "[ . 1 . 2]" 1
50 1 7 VAL HA 1 7 VAL MG1 . . 3.470 2.357 2.178 3.203 . 0 0 "[ . 1 . 2]" 1
51 1 7 VAL HA 1 7 VAL QG . . 3.040 2.127 2.034 2.296 . 0 0 "[ . 1 . 2]" 1
52 1 7 VAL HA 1 7 VAL MG2 . . 3.470 2.639 2.257 3.203 . 0 0 "[ . 1 . 2]" 1
53 1 7 VAL HB 1 8 HIS H . . 4.120 3.362 2.354 4.042 . 0 0 "[ . 1 . 2]" 1
54 1 7 VAL QG 1 8 HIS H . . 4.170 2.825 1.963 3.550 . 0 0 "[ . 1 . 2]" 1
55 1 8 HIS H 1 8 HIS HB2 . . 3.810 2.735 2.352 3.628 . 0 0 "[ . 1 . 2]" 1
56 1 8 HIS H 1 8 HIS QB . . 3.320 2.536 2.322 3.145 . 0 0 "[ . 1 . 2]" 1
57 1 8 HIS H 1 8 HIS HB3 . . 3.810 3.508 2.565 4.061 0.251 12 0 "[ . 1 . 2]" 1
58 1 8 HIS H 1 8 HIS HE1 . . 4.690 4.465 4.153 4.731 0.041 12 0 "[ . 1 . 2]" 1
59 1 8 HIS HB2 1 9 SER H . . 4.140 3.424 1.961 4.138 . 0 0 "[ . 1 . 2]" 1
60 1 8 HIS HB3 1 9 SER H . . 4.140 3.034 1.969 4.330 0.190 9 0 "[ . 1 . 2]" 1
61 1 9 SER H 1 9 SER HB2 . . 3.750 3.091 2.208 3.787 0.037 16 0 "[ . 1 . 2]" 1
62 1 9 SER H 1 9 SER HB3 . . 3.750 3.313 2.457 3.817 0.067 16 0 "[ . 1 . 2]" 1
63 1 9 SER H 1 10 THR H . . 4.750 3.678 2.436 4.603 . 0 0 "[ . 1 . 2]" 1
64 1 9 SER HA 1 10 THR H . . 3.490 2.563 2.137 3.509 0.019 19 0 "[ . 1 . 2]" 1
65 1 9 SER QB 1 10 THR H . . 3.880 3.378 2.317 3.978 0.098 9 0 "[ . 1 . 2]" 1
66 1 9 SER HB2 1 10 THR H . . 4.500 3.878 2.338 4.638 0.138 9 0 "[ . 1 . 2]" 1
67 1 9 SER HB3 1 10 THR H . . 4.500 3.985 2.574 4.636 0.136 18 0 "[ . 1 . 2]" 1
68 1 10 THR H 1 10 THR MG . . 3.710 2.281 1.926 3.235 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR H 1 11 LYS H . . 3.740 2.586 2.549 2.664 . 0 0 "[ . 1 . 2]" 1
70 1 10 THR H 1 11 LYS HA . . 5.260 5.117 4.982 5.260 . 0 0 "[ . 1 . 2]" 1
71 1 10 THR HA 1 10 THR MG . . 3.220 2.560 1.965 3.205 . 0 0 "[ . 1 . 2]" 1
72 1 10 THR HB 1 11 LYS H . . 4.240 4.013 3.642 4.238 . 0 0 "[ . 1 . 2]" 1
73 1 10 THR HB 1 14 SER H . . 4.990 4.550 3.510 4.992 0.002 6 0 "[ . 1 . 2]" 1
74 1 10 THR HB 1 14 SER HA . . 3.780 3.498 2.572 3.915 0.135 16 0 "[ . 1 . 2]" 1
75 1 10 THR MG 1 11 LYS H . . 4.610 3.499 1.989 4.431 . 0 0 "[ . 1 . 2]" 1
76 1 11 LYS H 1 11 LYS QB . . 3.380 2.301 2.116 2.617 . 0 0 "[ . 1 . 2]" 1
77 1 11 LYS H 1 11 LYS QD . . 4.870 4.100 2.794 4.529 . 0 0 "[ . 1 . 2]" 1
78 1 11 LYS H 1 11 LYS QG . . 4.570 3.272 1.945 4.034 . 0 0 "[ . 1 . 2]" 1
79 1 11 LYS HA 1 11 LYS QD . . 3.930 3.293 2.069 3.993 0.063 12 0 "[ . 1 . 2]" 1
80 1 11 LYS HA 1 11 LYS QG . . 3.670 2.648 2.115 3.411 . 0 0 "[ . 1 . 2]" 1
81 1 11 LYS QB 1 12 SER H . . 3.920 2.570 2.032 3.661 . 0 0 "[ . 1 . 2]" 1
82 1 11 LYS QD 1 12 SER H . . 4.910 4.275 2.790 4.912 0.002 17 0 "[ . 1 . 2]" 1
83 1 12 SER H 1 12 SER HB2 . . 4.150 2.626 2.232 3.597 . 0 0 "[ . 1 . 2]" 1
84 1 12 SER H 1 12 SER QB . . 3.640 2.348 2.186 2.711 . 0 0 "[ . 1 . 2]" 1
85 1 12 SER H 1 12 SER HB3 . . 4.150 3.033 2.392 3.597 . 0 0 "[ . 1 . 2]" 1
86 1 12 SER H 1 13 GLY H . . 4.020 2.642 2.520 2.860 . 0 0 "[ . 1 . 2]" 1
87 1 13 GLY H 1 14 SER HA . . 4.990 4.317 4.096 4.517 . 0 0 "[ . 1 . 2]" 1
88 1 13 GLY H 1 14 SER QB . . 5.220 4.800 3.545 5.235 0.015 17 0 "[ . 1 . 2]" 1
89 1 13 GLY QA 1 14 SER H . . 3.160 2.241 2.110 2.845 . 0 0 "[ . 1 . 2]" 1
90 1 13 GLY QA 1 16 VAL HB . . 3.980 2.534 2.047 3.870 . 0 0 "[ . 1 . 2]" 1
91 1 13 GLY QA 1 16 VAL QG . . 3.510 2.584 1.858 2.997 . 0 0 "[ . 1 . 2]" 1
92 1 14 SER H 1 14 SER QB . . 3.470 2.429 2.055 2.852 . 0 0 "[ . 1 . 2]" 1
93 1 14 SER H 1 15 SER H . . 3.840 2.792 2.515 2.976 . 0 0 "[ . 1 . 2]" 1
94 1 14 SER H 1 15 SER QB . . 4.730 4.592 4.338 4.725 . 0 0 "[ . 1 . 2]" 1
95 1 14 SER H 1 16 VAL H . . 4.530 3.873 3.536 4.531 0.001 16 0 "[ . 1 . 2]" 1
96 1 14 SER H 1 17 ASN QB . . 4.920 4.772 4.507 4.942 0.022 18 0 "[ . 1 . 2]" 1
97 1 14 SER HA 1 17 ASN H . . 4.580 3.726 3.258 4.072 . 0 0 "[ . 1 . 2]" 1
98 1 14 SER HA 1 17 ASN HB2 . . 4.490 3.507 2.376 4.490 . 0 0 "[ . 1 . 2]" 1
99 1 14 SER HA 1 17 ASN QB . . 3.830 2.988 2.355 3.495 . 0 0 "[ . 1 . 2]" 1
100 1 14 SER HA 1 17 ASN HB3 . . 4.490 3.684 2.677 4.492 0.002 8 0 "[ . 1 . 2]" 1
101 1 14 SER QB 1 15 SER H . . 4.060 2.646 2.051 3.477 . 0 0 "[ . 1 . 2]" 1
102 1 15 SER H 1 15 SER HB2 . . 4.020 2.358 2.084 2.691 . 0 0 "[ . 1 . 2]" 1
103 1 15 SER H 1 15 SER QB . . 3.330 2.240 2.060 2.416 . 0 0 "[ . 1 . 2]" 1
104 1 15 SER H 1 15 SER HB3 . . 4.020 2.990 2.409 3.594 . 0 0 "[ . 1 . 2]" 1
105 1 15 SER QB 1 16 VAL H . . 4.070 2.735 2.382 2.966 . 0 0 "[ . 1 . 2]" 1
106 1 15 SER QB 1 16 VAL QG . . 4.130 3.269 2.975 3.998 . 0 0 "[ . 1 . 2]" 1
107 1 15 SER QB 1 17 ASN H . . 4.740 4.634 4.404 4.788 0.048 12 0 "[ . 1 . 2]" 1
108 1 16 VAL H 1 16 VAL HB . . 3.390 2.573 2.389 2.643 . 0 0 "[ . 1 . 2]" 1
109 1 16 VAL H 1 16 VAL MG1 . . 4.050 3.615 2.136 3.774 . 0 0 "[ . 1 . 2]" 1
110 1 16 VAL H 1 16 VAL QG . . 3.210 2.103 1.922 2.300 . 0 0 "[ . 1 . 2]" 1
111 1 16 VAL H 1 16 VAL MG2 . . 4.050 2.266 1.928 3.767 . 0 0 "[ . 1 . 2]" 1
112 1 16 VAL H 1 17 ASN H . . 3.730 2.543 2.500 2.653 . 0 0 "[ . 1 . 2]" 1
113 1 16 VAL H 1 18 TRP H . . 5.150 4.614 4.253 4.900 . 0 0 "[ . 1 . 2]" 1
114 1 16 VAL HA 1 16 VAL MG1 . . 3.340 2.379 2.209 3.199 . 0 0 "[ . 1 . 2]" 1
115 1 16 VAL HA 1 16 VAL QG . . 2.910 2.089 2.042 2.282 . 0 0 "[ . 1 . 2]" 1
116 1 16 VAL HA 1 16 VAL MG2 . . 3.340 2.370 2.195 2.464 . 0 0 "[ . 1 . 2]" 1
117 1 16 VAL HA 1 17 ASN H . . 3.480 3.481 3.455 3.535 0.055 18 0 "[ . 1 . 2]" 1
118 1 16 VAL HB 1 17 ASN H . . 3.860 3.003 2.615 3.973 0.113 13 0 "[ . 1 . 2]" 1
119 1 16 VAL QG 1 17 ASN H . . 3.720 3.276 2.202 3.452 . 0 0 "[ . 1 . 2]" 1
120 1 16 VAL QG 1 17 ASN HA . . 4.700 3.622 2.973 3.847 . 0 0 "[ . 1 . 2]" 1
121 1 16 VAL QG 1 20 GLU QG . . 4.060 2.772 1.923 3.962 . 0 0 "[ . 1 . 2]" 1
122 1 16 VAL MG1 1 17 ASN H . . 4.390 3.621 2.216 3.911 . 0 0 "[ . 1 . 2]" 1
123 1 16 VAL MG2 1 17 ASN H . . 4.390 3.855 3.723 4.020 . 0 0 "[ . 1 . 2]" 1
124 1 17 ASN H 1 17 ASN QB . . 3.450 2.219 2.118 2.310 . 0 0 "[ . 1 . 2]" 1
125 1 17 ASN H 1 18 TRP H . . 4.040 2.744 2.509 2.969 . 0 0 "[ . 1 . 2]" 1
126 1 17 ASN H 1 18 TRP HA . . 5.420 5.288 5.145 5.420 0.000 7 0 "[ . 1 . 2]" 1
127 1 17 ASN HA 1 20 GLU H . . 4.490 3.742 3.313 4.171 . 0 0 "[ . 1 . 2]" 1
128 1 17 ASN HA 1 20 GLU HB2 . . 4.580 2.879 2.218 3.698 . 0 0 "[ . 1 . 2]" 1
129 1 17 ASN HA 1 20 GLU QB . . 3.850 2.816 2.202 3.517 . 0 0 "[ . 1 . 2]" 1
130 1 17 ASN HA 1 20 GLU HB3 . . 4.580 4.195 3.702 4.601 0.021 18 0 "[ . 1 . 2]" 1
131 1 17 ASN QB 1 18 TRP H . . 4.040 2.302 1.947 2.650 . 0 0 "[ . 1 . 2]" 1
132 1 17 ASN QD 1 18 TRP H . . 5.340 4.432 3.912 5.038 . 0 0 "[ . 1 . 2]" 1
133 1 18 TRP H 1 18 TRP QB . . 3.340 2.669 2.658 2.676 . 0 0 "[ . 1 . 2]" 1
134 1 18 TRP H 1 18 TRP HZ2 . . 5.500 5.556 5.509 5.575 0.075 13 0 "[ . 1 . 2]" 1
135 1 18 TRP H 1 18 TRP HZ3 . . 5.500 5.280 5.099 5.338 . 0 0 "[ . 1 . 2]" 1
136 1 18 TRP H 1 19 GLY H . . 4.290 2.845 2.727 2.982 . 0 0 "[ . 1 . 2]" 1
137 1 18 TRP HA 1 18 TRP HZ3 . . 5.050 4.365 4.346 4.378 . 0 0 "[ . 1 . 2]" 1
138 1 18 TRP HA 1 21 ALA H . . 4.420 3.634 3.341 3.962 . 0 0 "[ . 1 . 2]" 1
139 1 18 TRP HA 1 21 ALA MB . . 3.370 2.909 2.410 3.378 0.008 18 0 "[ . 1 . 2]" 1
140 1 18 TRP HA 1 22 PHE H . . 5.310 4.476 3.584 5.276 . 0 0 "[ . 1 . 2]" 1
141 1 18 TRP QB 1 19 GLY H . . 3.940 2.373 2.089 2.636 . 0 0 "[ . 1 . 2]" 1
142 1 19 GLY H 1 20 GLU H . . 3.850 2.783 2.511 3.021 . 0 0 "[ . 1 . 2]" 1
143 1 19 GLY HA2 1 22 PHE HB2 . . 4.420 3.305 2.728 3.533 . 0 0 "[ . 1 . 2]" 1
144 1 19 GLY HA2 1 22 PHE HB3 . . 5.500 5.012 4.415 5.262 . 0 0 "[ . 1 . 2]" 1
145 1 19 GLY HA3 1 20 GLU HA . . 4.500 4.336 4.295 4.378 . 0 0 "[ . 1 . 2]" 1
146 1 19 GLY HA3 1 22 PHE HB2 . . 5.000 4.871 4.260 5.013 0.013 5 0 "[ . 1 . 2]" 1
147 1 20 GLU H 1 20 GLU HB2 . . 3.810 2.189 2.067 2.376 . 0 0 "[ . 1 . 2]" 1
148 1 20 GLU H 1 20 GLU QB . . 3.270 2.163 2.044 2.343 . 0 0 "[ . 1 . 2]" 1
149 1 20 GLU H 1 20 GLU HB3 . . 3.810 3.404 3.066 3.572 . 0 0 "[ . 1 . 2]" 1
150 1 20 GLU H 1 20 GLU HG2 . . 4.240 3.446 2.412 4.166 . 0 0 "[ . 1 . 2]" 1
151 1 20 GLU H 1 20 GLU QG . . 3.660 2.990 2.382 3.661 0.001 10 0 "[ . 1 . 2]" 1
152 1 20 GLU H 1 20 GLU HG3 . . 4.240 3.608 2.705 4.215 . 0 0 "[ . 1 . 2]" 1
153 1 20 GLU H 1 21 ALA H . . 3.800 2.693 2.408 2.815 . 0 0 "[ . 1 . 2]" 1
154 1 20 GLU H 1 21 ALA MB . . 5.100 4.306 4.065 4.442 . 0 0 "[ . 1 . 2]" 1
155 1 20 GLU H 1 23 SER QB . . 4.630 4.368 4.104 4.592 . 0 0 "[ . 1 . 2]" 1
156 1 20 GLU HA 1 20 GLU HG2 . . 4.010 2.404 2.069 2.874 . 0 0 "[ . 1 . 2]" 1
157 1 20 GLU HA 1 20 GLU QG . . 3.480 2.328 2.048 2.781 . 0 0 "[ . 1 . 2]" 1
158 1 20 GLU HA 1 20 GLU HG3 . . 4.010 3.308 2.584 3.713 . 0 0 "[ . 1 . 2]" 1
159 1 20 GLU QB 1 21 ALA H . . 3.590 2.733 2.454 2.925 . 0 0 "[ . 1 . 2]" 1
160 1 20 GLU HB2 1 21 ALA H . . 4.100 3.042 2.522 3.561 . 0 0 "[ . 1 . 2]" 1
161 1 20 GLU HB3 1 21 ALA H . . 4.100 3.262 2.690 3.579 . 0 0 "[ . 1 . 2]" 1
162 1 21 ALA H 1 21 ALA MB . . 3.090 2.124 2.029 2.240 . 0 0 "[ . 1 . 2]" 1
163 1 21 ALA H 1 22 PHE H . . 4.050 2.835 2.704 2.976 . 0 0 "[ . 1 . 2]" 1
164 1 21 ALA H 1 22 PHE HA . . 5.500 5.384 5.299 5.494 . 0 0 "[ . 1 . 2]" 1
165 1 21 ALA H 1 23 SER QB . . 4.900 4.453 4.216 4.707 . 0 0 "[ . 1 . 2]" 1
166 1 21 ALA HA 1 24 ALA H . . 4.710 3.805 3.559 4.012 . 0 0 "[ . 1 . 2]" 1
167 1 21 ALA MB 1 22 PHE H . . 3.670 2.277 2.134 2.473 . 0 0 "[ . 1 . 2]" 1
168 1 21 ALA MB 1 22 PHE HA . . 3.960 3.694 3.597 3.777 . 0 0 "[ . 1 . 2]" 1
169 1 21 ALA MB 1 24 ALA H . . 4.800 4.674 4.500 4.800 . 0 0 "[ . 1 . 2]" 1
170 1 22 PHE H 1 22 PHE HB2 . . 3.650 2.583 2.549 2.693 . 0 0 "[ . 1 . 2]" 1
171 1 22 PHE H 1 22 PHE HB3 . . 3.600 3.592 3.578 3.598 . 0 0 "[ . 1 . 2]" 1
172 1 22 PHE H 1 22 PHE QD . . 5.500 2.697 2.162 3.119 . 0 0 "[ . 1 . 2]" 1
173 1 22 PHE H 1 22 PHE QE . . 5.500 4.194 3.980 4.397 . 0 0 "[ . 1 . 2]" 1
174 1 22 PHE H 1 22 PHE HZ . . 5.500 5.463 5.226 5.539 0.039 18 0 "[ . 1 . 2]" 1
175 1 22 PHE H 1 23 SER H . . 4.150 2.648 2.549 2.777 . 0 0 "[ . 1 . 2]" 1
176 1 22 PHE HA 1 22 PHE QD . . 4.450 2.476 2.044 2.930 . 0 0 "[ . 1 . 2]" 1
177 1 22 PHE HA 1 22 PHE QE . . 4.750 4.533 4.350 4.704 . 0 0 "[ . 1 . 2]" 1
178 1 22 PHE HA 1 26 VAL H . . 4.790 4.595 4.282 4.819 0.029 17 0 "[ . 1 . 2]" 1
179 1 22 PHE HA 1 26 VAL QG . . 4.580 4.228 4.032 4.427 . 0 0 "[ . 1 . 2]" 1
180 1 22 PHE HB2 1 23 SER H . . 3.640 2.804 2.488 3.003 . 0 0 "[ . 1 . 2]" 1
181 1 22 PHE HB2 1 23 SER HA . . 5.110 4.198 4.039 4.284 . 0 0 "[ . 1 . 2]" 1
182 1 22 PHE HB3 1 23 SER H . . 4.040 3.879 3.652 4.040 0.000 17 0 "[ . 1 . 2]" 1
183 1 22 PHE HB3 1 23 SER HA . . 4.670 4.600 4.498 4.711 0.041 17 0 "[ . 1 . 2]" 1
184 1 23 SER H 1 23 SER HB2 . . 3.540 2.572 2.261 3.077 . 0 0 "[ . 1 . 2]" 1
185 1 23 SER H 1 23 SER QB . . 2.990 2.209 2.085 2.260 . 0 0 "[ . 1 . 2]" 1
186 1 23 SER H 1 23 SER HB3 . . 3.540 2.530 2.121 2.852 . 0 0 "[ . 1 . 2]" 1
187 1 23 SER H 1 24 ALA H . . 4.110 2.711 2.636 2.813 . 0 0 "[ . 1 . 2]" 1
188 1 23 SER H 1 24 ALA MB . . 4.780 4.342 4.244 4.467 . 0 0 "[ . 1 . 2]" 1
189 1 23 SER H 1 26 VAL H . . 5.060 4.901 4.684 5.059 . 0 0 "[ . 1 . 2]" 1
190 1 23 SER HA 1 26 VAL H . . 4.540 3.342 2.918 3.665 . 0 0 "[ . 1 . 2]" 1
191 1 23 SER HA 1 26 VAL HB . . 3.790 2.976 2.232 4.018 0.228 17 0 "[ . 1 . 2]" 1
192 1 23 SER HA 1 26 VAL MG1 . . 4.320 3.991 1.932 4.322 0.002 1 0 "[ . 1 . 2]" 1
193 1 23 SER HA 1 26 VAL QG . . 3.630 2.164 1.700 2.806 . 0 0 "[ . 1 . 2]" 1
194 1 23 SER HA 1 26 VAL MG2 . . 4.320 2.185 1.886 2.845 . 0 0 "[ . 1 . 2]" 1
195 1 23 SER HB2 1 24 ALA H . . 4.680 3.983 3.733 4.383 . 0 0 "[ . 1 . 2]" 1
196 1 23 SER HB3 1 24 ALA H . . 4.680 2.832 2.509 3.367 . 0 0 "[ . 1 . 2]" 1
197 1 24 ALA H 1 24 ALA MB . . 3.130 2.163 2.023 2.242 . 0 0 "[ . 1 . 2]" 1
198 1 24 ALA H 1 25 GLY H . . 4.390 2.706 2.583 2.867 . 0 0 "[ . 1 . 2]" 1
199 1 24 ALA H 1 26 VAL H . . 4.780 4.110 3.938 4.357 . 0 0 "[ . 1 . 2]" 1
200 1 24 ALA HA 1 27 HIS H . . 4.640 3.938 3.556 4.642 0.002 17 0 "[ . 1 . 2]" 1
201 1 24 ALA HA 1 27 HIS QB . . 4.230 3.583 3.015 4.231 0.001 17 0 "[ . 1 . 2]" 1
202 1 24 ALA MB 1 25 GLY H . . 3.760 2.623 2.283 3.135 . 0 0 "[ . 1 . 2]" 1
203 1 24 ALA MB 1 25 GLY QA . . 4.700 3.519 3.405 3.709 . 0 0 "[ . 1 . 2]" 1
204 1 24 ALA MB 1 27 HIS QB . . 5.160 4.541 4.193 5.232 0.072 17 0 "[ . 1 . 2]" 1
205 1 25 GLY QA 1 28 ARG H . . 4.290 3.328 3.180 3.505 . 0 0 "[ . 1 . 2]" 1
206 1 25 GLY HA2 1 28 ARG H . . 4.980 3.416 3.250 3.625 . 0 0 "[ . 1 . 2]" 1
207 1 25 GLY HA2 1 28 ARG QB . . 4.230 2.916 2.390 3.468 . 0 0 "[ . 1 . 2]" 1
208 1 25 GLY HA3 1 28 ARG H . . 4.980 4.605 4.430 4.776 . 0 0 "[ . 1 . 2]" 1
209 1 25 GLY HA3 1 28 ARG QB . . 4.230 4.164 3.789 4.232 0.002 6 0 "[ . 1 . 2]" 1
210 1 26 VAL H 1 26 VAL HB . . 3.500 2.635 2.532 3.604 0.104 17 0 "[ . 1 . 2]" 1
211 1 26 VAL H 1 26 VAL QG . . 3.330 2.134 1.863 2.301 . 0 0 "[ . 1 . 2]" 1
212 1 26 VAL H 1 27 HIS H . . 3.560 2.746 2.684 2.797 . 0 0 "[ . 1 . 2]" 1
213 1 26 VAL HA 1 26 VAL MG1 . . 3.420 2.337 2.274 2.394 . 0 0 "[ . 1 . 2]" 1
214 1 26 VAL HA 1 26 VAL QG . . 2.960 2.094 2.049 2.325 . 0 0 "[ . 1 . 2]" 1
215 1 26 VAL HA 1 26 VAL MG2 . . 3.420 2.383 2.284 3.191 . 0 0 "[ . 1 . 2]" 1
216 1 26 VAL HA 1 29 LEU H . . 3.790 3.536 3.292 3.671 . 0 0 "[ . 1 . 2]" 1
217 1 26 VAL HA 1 29 LEU QB . . 3.720 3.052 2.597 3.728 0.008 6 0 "[ . 1 . 2]" 1
218 1 26 VAL HA 1 29 LEU QD . . 4.000 2.099 1.961 2.318 . 0 0 "[ . 1 . 2]" 1
219 1 26 VAL HA 1 29 LEU HG . . 4.780 3.785 2.682 4.781 0.001 1 0 "[ . 1 . 2]" 1
220 1 26 VAL HA 1 30 ALA H . . 5.050 4.411 3.946 5.052 0.002 19 0 "[ . 1 . 2]" 1
221 1 26 VAL HA 1 35 GLY QA . . 3.520 3.378 2.953 3.522 0.002 11 0 "[ . 1 . 2]" 1
222 1 26 VAL HB 1 27 HIS H . . 3.790 2.703 2.405 3.921 0.131 17 0 "[ . 1 . 2]" 1
223 1 26 VAL HB 1 27 HIS HA . . 4.520 4.244 4.147 4.642 0.122 17 0 "[ . 1 . 2]" 1
224 1 26 VAL HB 1 29 LEU QD . . 4.750 4.440 3.055 4.799 0.049 11 0 "[ . 1 . 2]" 1
225 1 26 VAL QG 1 27 HIS H . . 3.970 3.180 1.911 3.405 . 0 0 "[ . 1 . 2]" 1
226 1 26 VAL QG 1 27 HIS HA . . 4.380 3.478 3.125 3.648 . 0 0 "[ . 1 . 2]" 1
227 1 26 VAL QG 1 28 ARG H . . 5.440 4.554 4.055 4.760 . 0 0 "[ . 1 . 2]" 1
228 1 26 VAL QG 1 29 LEU H . . 5.440 4.352 3.982 4.737 . 0 0 "[ . 1 . 2]" 1
229 1 26 VAL QG 1 29 LEU QD . . 3.520 2.724 1.858 3.252 . 0 0 "[ . 1 . 2]" 1
230 1 26 VAL QG 1 30 ALA H . . 4.960 4.127 3.654 4.561 . 0 0 "[ . 1 . 2]" 1
231 1 26 VAL QG 1 30 ALA MB . . 4.180 3.559 2.783 4.184 0.004 11 0 "[ . 1 . 2]" 1
232 1 26 VAL MG1 1 27 HIS H . . 4.650 3.525 3.283 3.799 . 0 0 "[ . 1 . 2]" 1
233 1 26 VAL MG2 1 27 HIS H . . 4.650 3.732 1.916 3.940 . 0 0 "[ . 1 . 2]" 1
234 1 27 HIS H 1 27 HIS QB . . 3.400 2.226 2.045 2.585 . 0 0 "[ . 1 . 2]" 1
235 1 27 HIS H 1 28 ARG H . . 3.570 2.680 2.581 2.768 . 0 0 "[ . 1 . 2]" 1
236 1 27 HIS HA 1 30 ALA MB . . 3.540 2.617 2.236 3.433 . 0 0 "[ . 1 . 2]" 1
237 1 27 HIS QB 1 28 ARG H . . 4.020 2.629 2.398 2.971 . 0 0 "[ . 1 . 2]" 1
238 1 27 HIS QB 1 28 ARG QD . . 4.340 3.703 2.458 4.340 0.000 6 0 "[ . 1 . 2]" 1
239 1 28 ARG H 1 28 ARG QB . . 3.230 2.262 2.072 2.566 . 0 0 "[ . 1 . 2]" 1
240 1 28 ARG H 1 28 ARG HG2 . . 4.750 3.525 1.957 4.625 . 0 0 "[ . 1 . 2]" 1
241 1 28 ARG H 1 28 ARG QG . . 4.050 3.111 1.947 4.049 . 0 0 "[ . 1 . 2]" 1
242 1 28 ARG H 1 28 ARG HG3 . . 4.750 3.834 2.762 4.505 . 0 0 "[ . 1 . 2]" 1
243 1 28 ARG H 1 29 LEU QB . . 4.880 4.661 4.373 4.846 . 0 0 "[ . 1 . 2]" 1
244 1 28 ARG H 1 29 LEU HG . . 5.450 4.649 4.298 5.616 0.166 11 0 "[ . 1 . 2]" 1
245 1 28 ARG H 1 30 ALA H . . 4.590 3.953 3.702 4.424 . 0 0 "[ . 1 . 2]" 1
246 1 28 ARG HA 1 28 ARG QD . . 4.310 2.475 2.037 4.058 . 0 0 "[ . 1 . 2]" 1
247 1 28 ARG HA 1 28 ARG HG2 . . 4.240 3.281 2.770 3.659 . 0 0 "[ . 1 . 2]" 1
248 1 28 ARG HA 1 28 ARG QG . . 3.710 2.547 2.104 3.013 . 0 0 "[ . 1 . 2]" 1
249 1 28 ARG HA 1 28 ARG HG3 . . 4.240 2.947 2.122 3.828 . 0 0 "[ . 1 . 2]" 1
250 1 28 ARG HA 1 31 ASN QB . . 4.560 3.680 2.954 4.164 . 0 0 "[ . 1 . 2]" 1
251 1 28 ARG QB 1 29 LEU H . . 3.830 2.541 2.254 2.899 . 0 0 "[ . 1 . 2]" 1
252 1 29 LEU H 1 29 LEU HB2 . . 3.750 2.783 2.276 3.541 . 0 0 "[ . 1 . 2]" 1
253 1 29 LEU H 1 29 LEU QB . . 3.220 2.366 2.231 2.547 . 0 0 "[ . 1 . 2]" 1
254 1 29 LEU H 1 29 LEU HB3 . . 3.750 3.185 2.256 3.593 . 0 0 "[ . 1 . 2]" 1
255 1 29 LEU H 1 29 LEU MD1 . . 5.090 3.456 1.998 4.119 . 0 0 "[ . 1 . 2]" 1
256 1 29 LEU H 1 29 LEU QD . . 4.000 2.897 1.957 3.223 . 0 0 "[ . 1 . 2]" 1
257 1 29 LEU H 1 29 LEU MD2 . . 5.090 3.430 1.962 3.927 . 0 0 "[ . 1 . 2]" 1
258 1 29 LEU H 1 29 LEU HG . . 3.600 2.564 2.030 3.656 0.056 11 0 "[ . 1 . 2]" 1
259 1 29 LEU H 1 30 ALA H . . 4.000 2.611 2.535 2.742 . 0 0 "[ . 1 . 2]" 1
260 1 29 LEU H 1 30 ALA HA . . 5.500 5.182 5.092 5.323 . 0 0 "[ . 1 . 2]" 1
261 1 29 LEU H 1 30 ALA MB . . 4.940 4.232 4.154 4.340 . 0 0 "[ . 1 . 2]" 1
262 1 29 LEU HA 1 29 LEU MD1 . . 4.230 3.704 2.502 3.963 . 0 0 "[ . 1 . 2]" 1
263 1 29 LEU HA 1 29 LEU QD . . 3.310 2.694 2.052 3.321 0.011 16 0 "[ . 1 . 2]" 1
264 1 29 LEU HA 1 29 LEU MD2 . . 4.230 2.962 2.179 4.109 . 0 0 "[ . 1 . 2]" 1
265 1 29 LEU HA 1 32 GLY H . . 4.510 3.044 2.863 3.173 . 0 0 "[ . 1 . 2]" 1
266 1 29 LEU HA 1 32 GLY QA . . 4.910 4.057 3.164 4.550 . 0 0 "[ . 1 . 2]" 1
267 1 29 LEU HA 1 33 GLY H . . 4.750 3.529 1.966 4.723 . 0 0 "[ . 1 . 2]" 1
268 1 29 LEU HA 1 33 GLY QA . . 4.220 3.202 2.016 4.160 . 0 0 "[ . 1 . 2]" 1
269 1 29 LEU QB 1 29 LEU QD . . 2.820 1.835 1.720 1.936 . 0 0 "[ . 1 . 2]" 1
270 1 29 LEU QB 1 30 ALA H . . 3.710 3.008 2.495 3.576 . 0 0 "[ . 1 . 2]" 1
271 1 29 LEU HB2 1 30 ALA H . . 4.270 3.240 2.545 4.164 . 0 0 "[ . 1 . 2]" 1
272 1 29 LEU HB3 1 30 ALA H . . 4.270 3.823 3.298 4.019 . 0 0 "[ . 1 . 2]" 1
273 1 29 LEU QD 1 30 ALA H . . 4.770 3.786 3.063 4.233 . 0 0 "[ . 1 . 2]" 1
274 1 29 LEU HG 1 30 ALA H . . 5.080 3.841 2.270 4.879 . 0 0 "[ . 1 . 2]" 1
275 1 30 ALA H 1 30 ALA MB . . 3.100 2.132 2.026 2.229 . 0 0 "[ . 1 . 2]" 1
276 1 30 ALA H 1 31 ASN H . . 4.130 2.726 2.606 2.892 . 0 0 "[ . 1 . 2]" 1
277 1 30 ALA HA 1 32 GLY H . . 5.500 4.340 4.129 4.655 . 0 0 "[ . 1 . 2]" 1
278 1 30 ALA MB 1 31 ASN H . . 3.840 2.751 2.381 2.954 . 0 0 "[ . 1 . 2]" 1
279 1 30 ALA MB 1 32 GLY H . . 4.980 4.450 4.212 4.574 . 0 0 "[ . 1 . 2]" 1
280 1 31 ASN H 1 31 ASN HB2 . . 4.030 2.483 2.217 2.791 . 0 0 "[ . 1 . 2]" 1
281 1 31 ASN H 1 31 ASN QB . . 3.420 2.310 2.195 2.499 . 0 0 "[ . 1 . 2]" 1
282 1 31 ASN H 1 31 ASN HB3 . . 4.030 3.019 2.405 3.631 . 0 0 "[ . 1 . 2]" 1
283 1 31 ASN H 1 32 GLY H . . 4.060 2.291 2.223 2.338 . 0 0 "[ . 1 . 2]" 1
284 1 31 ASN HA 1 31 ASN QD . . 3.380 2.606 2.089 3.012 . 0 0 "[ . 1 . 2]" 1
285 1 31 ASN HA 1 31 ASN HD22 . . 3.910 3.696 3.448 3.854 . 0 0 "[ . 1 . 2]" 1
286 1 31 ASN HB2 1 32 GLY H . . 4.960 3.563 2.938 4.133 . 0 0 "[ . 1 . 2]" 1
287 1 31 ASN HB3 1 32 GLY H . . 4.960 3.282 2.895 4.018 . 0 0 "[ . 1 . 2]" 1
288 1 32 GLY H 1 33 GLY H . . 3.990 3.146 2.235 3.509 . 0 0 "[ . 1 . 2]" 1
289 1 32 GLY H 1 33 GLY QA . . 4.910 4.115 3.876 4.720 . 0 0 "[ . 1 . 2]" 1
290 1 33 GLY H 1 34 ASN H . . 4.050 3.257 1.911 4.056 0.006 1 0 "[ . 1 . 2]" 1
291 1 34 ASN H 1 34 ASN HB2 . . 4.000 3.049 2.251 3.845 . 0 0 "[ . 1 . 2]" 1
292 1 34 ASN H 1 34 ASN QB . . 3.460 2.805 2.226 3.433 . 0 0 "[ . 1 . 2]" 1
293 1 34 ASN H 1 34 ASN HB3 . . 4.000 3.597 2.804 3.972 . 0 0 "[ . 1 . 2]" 1
294 1 34 ASN H 1 35 GLY H . . 3.890 3.044 2.343 3.873 . 0 0 "[ . 1 . 2]" 1
295 1 34 ASN QB 1 35 GLY QA . . 5.180 4.056 3.542 4.295 . 0 0 "[ . 1 . 2]" 1
296 1 34 ASN HB2 1 35 GLY H . . 4.620 3.920 2.253 4.597 . 0 0 "[ . 1 . 2]" 1
297 1 34 ASN HB3 1 35 GLY H . . 4.620 3.931 2.535 4.563 . 0 0 "[ . 1 . 2]" 1
298 1 35 GLY H 1 36 PHE H . . 4.110 3.155 2.045 4.057 . 0 0 "[ . 1 . 2]" 1
299 1 36 PHE H 1 36 PHE HB2 . . 4.070 2.702 2.277 3.709 . 0 0 "[ . 1 . 2]" 1
300 1 36 PHE H 1 36 PHE QB . . 3.420 2.490 2.250 3.023 . 0 0 "[ . 1 . 2]" 1
301 1 36 PHE H 1 36 PHE HB3 . . 4.070 3.190 2.450 3.947 . 0 0 "[ . 1 . 2]" 1
302 1 36 PHE H 1 37 TRP H . . 3.700 2.389 2.071 3.008 . 0 0 "[ . 1 . 2]" 1
303 1 36 PHE H 1 37 TRP HB2 . . 5.500 4.521 3.890 5.838 0.338 19 0 "[ . 1 . 2]" 1
304 1 36 PHE H 1 37 TRP QB . . 4.660 4.050 3.514 4.602 . 0 0 "[ . 1 . 2]" 1
305 1 36 PHE H 1 37 TRP HB3 . . 5.500 5.173 3.577 5.852 0.352 20 0 "[ . 1 . 2]" 1
306 1 36 PHE H 1 37 TRP HD1 . . 4.690 4.026 2.460 4.771 0.081 20 0 "[ . 1 . 2]" 1
307 1 36 PHE HA 1 37 TRP HD1 . . 4.950 4.825 4.108 4.998 0.048 8 0 "[ . 1 . 2]" 1
308 1 36 PHE HB2 1 37 TRP H . . 4.400 3.938 2.152 4.658 0.258 20 0 "[ . 1 . 2]" 1
309 1 36 PHE HB3 1 37 TRP H . . 4.400 3.715 2.188 4.400 0.000 20 0 "[ . 1 . 2]" 1
310 1 37 TRP H 1 37 TRP QB . . 3.630 2.589 2.167 3.392 . 0 0 "[ . 1 . 2]" 1
311 1 37 TRP QB 1 37 TRP HZ3 . . 5.090 4.707 4.634 5.069 . 0 0 "[ . 1 . 2]" 1
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