NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
513757 |
2laz   |
17541 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2laz
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 349
_Distance_constraint_stats_list.Viol_count 1117
_Distance_constraint_stats_list.Viol_total 431.294
_Distance_constraint_stats_list.Viol_max 0.193
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0161
_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 GLU 0.020 0.020 23 0 "[ . 1 . 2 ]"
1 2 LEU 0.557 0.023 12 0 "[ . 1 . 2 ]"
1 3 PRO 1.616 0.057 24 0 "[ . 1 . 2 ]"
1 4 GLU 1.004 0.057 24 0 "[ . 1 . 2 ]"
1 5 GLY 0.191 0.025 10 0 "[ . 1 . 2 ]"
1 6 TYR 1.624 0.029 5 0 "[ . 1 . 2 ]"
1 7 GLU 0.036 0.015 1 0 "[ . 1 . 2 ]"
1 8 GLN 0.238 0.018 16 0 "[ . 1 . 2 ]"
1 9 ARG 1.128 0.040 5 0 "[ . 1 . 2 ]"
1 10 THR 0.940 0.040 5 0 "[ . 1 . 2 ]"
1 11 THR 0.248 0.024 3 0 "[ . 1 . 2 ]"
1 12 VAL 0.264 0.028 16 0 "[ . 1 . 2 ]"
1 13 GLN 0.602 0.028 16 0 "[ . 1 . 2 ]"
1 14 GLY 0.104 0.015 1 0 "[ . 1 . 2 ]"
1 15 GLN 0.962 0.036 12 0 "[ . 1 . 2 ]"
1 16 VAL 0.335 0.025 9 0 "[ . 1 . 2 ]"
1 17 TYR 1.563 0.038 5 0 "[ . 1 . 2 ]"
1 18 PHE 2.015 0.032 18 0 "[ . 1 . 2 ]"
1 19 LEU 0.612 0.017 23 0 "[ . 1 . 2 ]"
1 20 HIS 0.935 0.022 21 0 "[ . 1 . 2 ]"
1 21 THR 0.338 0.029 5 0 "[ . 1 . 2 ]"
1 22 GLN 0.376 0.018 17 0 "[ . 1 . 2 ]"
1 23 THR 5.750 0.193 5 0 "[ . 1 . 2 ]"
1 24 GLY 4.618 0.193 5 0 "[ . 1 . 2 ]"
1 25 VAL 1.998 0.050 20 0 "[ . 1 . 2 ]"
1 26 SER 0.759 0.035 18 0 "[ . 1 . 2 ]"
1 27 THR 0.148 0.016 11 0 "[ . 1 . 2 ]"
1 28 TRP 1.012 0.036 12 0 "[ . 1 . 2 ]"
1 29 HIS 0.268 0.013 14 0 "[ . 1 . 2 ]"
1 30 ASP 0.062 0.014 13 0 "[ . 1 . 2 ]"
1 31 PRO 0.992 0.043 11 0 "[ . 1 . 2 ]"
1 32 ARG 1.770 0.052 21 0 "[ . 1 . 2 ]"
1 33 ILE 2.854 0.052 21 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 GLU HA 1 2 LEU H 2.207 . 2.751 2.236 2.115 2.770 0.020 23 0 "[ . 1 . 2 ]" 1
2 1 2 LEU HA 1 3 PRO HD2 2.889 . 3.958 2.903 2.510 3.101 . 0 0 "[ . 1 . 2 ]" 1
3 1 2 LEU HA 1 3 PRO HD3 3.132 . 4.386 2.091 1.929 2.224 . 0 0 "[ . 1 . 2 ]" 1
4 1 2 LEU HB2 1 3 PRO HD2 3.055 . 4.250 3.427 3.093 3.756 . 0 0 "[ . 1 . 2 ]" 1
5 1 2 LEU HB2 1 6 TYR H 3.749 2.019 5.479 4.317 4.024 4.755 . 0 0 "[ . 1 . 2 ]" 1
6 1 2 LEU HB2 1 6 TYR QD 3.249 . 4.594 2.837 2.734 2.991 . 0 0 "[ . 1 . 2 ]" 1
7 1 2 LEU HB2 1 6 TYR QE 3.382 . 4.831 4.841 4.831 4.853 0.023 12 0 "[ . 1 . 2 ]" 1
8 1 2 LEU HB3 1 3 PRO HD2 3.550 . 5.127 2.142 1.971 2.412 0.002 23 0 "[ . 1 . 2 ]" 1
9 1 2 LEU HB3 1 3 PRO HD3 3.352 . 4.776 2.957 2.685 3.375 . 0 0 "[ . 1 . 2 ]" 1
10 1 2 LEU HB3 1 6 TYR H 3.763 2.022 5.505 5.014 4.510 5.508 0.004 23 0 "[ . 1 . 2 ]" 1
11 1 2 LEU HB3 1 6 TYR HB2 3.508 . 5.052 3.045 2.628 3.734 . 0 0 "[ . 1 . 2 ]" 1
12 1 2 LEU HB3 1 6 TYR HB3 3.701 2.008 5.393 3.980 3.552 4.754 . 0 0 "[ . 1 . 2 ]" 1
13 1 2 LEU HB3 1 6 TYR QD 3.782 2.027 5.538 2.468 2.023 3.030 0.003 12 0 "[ . 1 . 2 ]" 1
14 1 2 LEU HB3 1 6 TYR QE 3.992 2.075 5.910 3.889 3.490 4.412 . 0 0 "[ . 1 . 2 ]" 1
15 1 2 LEU MD1 1 3 PRO HD2 3.879 2.049 5.708 3.757 3.086 4.284 . 0 0 "[ . 1 . 2 ]" 1
16 1 2 LEU MD1 1 3 PRO HD3 4.026 2.083 5.969 3.961 3.195 5.100 . 0 0 "[ . 1 . 2 ]" 1
17 1 2 LEU MD1 1 6 TYR HB2 3.886 2.051 5.721 3.645 2.055 5.160 . 0 0 "[ . 1 . 2 ]" 1
18 1 2 LEU MD1 1 6 TYR HB3 4.002 2.077 5.927 3.811 2.157 5.666 . 0 0 "[ . 1 . 2 ]" 1
19 1 2 LEU MD1 1 6 TYR QD 3.928 2.060 5.795 3.976 3.095 4.839 . 0 0 "[ . 1 . 2 ]" 1
20 1 2 LEU MD1 1 6 TYR QE 3.917 2.058 5.776 4.985 4.518 5.781 0.004 15 0 "[ . 1 . 2 ]" 1
21 1 2 LEU MD1 1 18 PHE QE 3.753 2.020 5.486 2.862 2.031 4.229 . 0 0 "[ . 1 . 2 ]" 1
22 1 2 LEU MD2 1 3 PRO HD2 3.470 . 4.985 4.452 3.303 4.927 . 0 0 "[ . 1 . 2 ]" 1
23 1 2 LEU MD2 1 3 PRO HD3 3.442 . 4.935 4.538 3.364 4.957 0.022 16 0 "[ . 1 . 2 ]" 1
24 1 2 LEU MD2 1 6 TYR HB2 3.572 . 5.166 3.745 3.140 4.509 . 0 0 "[ . 1 . 2 ]" 1
25 1 2 LEU MD2 1 6 TYR HB3 3.829 2.037 5.620 4.214 3.571 4.707 . 0 0 "[ . 1 . 2 ]" 1
26 1 2 LEU MD2 1 6 TYR QD 3.954 2.066 5.842 4.371 3.918 4.646 . 0 0 "[ . 1 . 2 ]" 1
27 1 2 LEU MD2 1 6 TYR QE 4.046 2.087 6.004 5.705 4.591 6.016 0.012 15 0 "[ . 1 . 2 ]" 1
28 1 2 LEU MD2 1 18 PHE QE 3.698 2.007 5.389 2.930 2.011 3.527 . 0 0 "[ . 1 . 2 ]" 1
29 1 2 LEU MD2 1 18 PHE HZ 3.765 2.023 5.507 3.691 2.708 4.376 . 0 0 "[ . 1 . 2 ]" 1
30 1 2 LEU HG 1 6 TYR HB2 3.195 . 4.498 3.460 2.536 4.431 . 0 0 "[ . 1 . 2 ]" 1
31 1 2 LEU HG 1 6 TYR HB3 3.496 . 5.031 3.866 2.652 5.044 0.012 2 0 "[ . 1 . 2 ]" 1
32 1 3 PRO HA 1 4 GLU H 1.772 . 2.272 2.309 2.293 2.329 0.057 24 0 "[ . 1 . 2 ]" 1
33 1 3 PRO HB2 1 6 TYR QD 3.774 2.025 5.523 3.207 2.971 3.478 . 0 0 "[ . 1 . 2 ]" 1
34 1 3 PRO HB2 1 6 TYR QE 3.742 2.017 5.467 2.026 2.005 2.224 0.012 8 0 "[ . 1 . 2 ]" 1
35 1 3 PRO HB2 1 31 PRO HB2 3.855 2.044 5.667 5.013 4.741 5.230 . 0 0 "[ . 1 . 2 ]" 1
36 1 3 PRO HB3 1 6 TYR QD 3.715 2.011 5.419 4.661 4.480 4.867 . 0 0 "[ . 1 . 2 ]" 1
37 1 3 PRO HB3 1 6 TYR QE 3.780 2.026 5.534 3.571 3.507 3.824 . 0 0 "[ . 1 . 2 ]" 1
38 1 3 PRO HD2 1 6 TYR QD 3.708 2.010 5.406 2.428 2.214 2.602 . 0 0 "[ . 1 . 2 ]" 1
39 1 3 PRO HD2 1 6 TYR QE 3.836 2.039 5.633 2.309 2.028 2.715 0.011 12 0 "[ . 1 . 2 ]" 1
40 1 3 PRO HD2 1 31 PRO HB3 3.480 . 5.003 4.934 4.775 5.006 0.003 15 0 "[ . 1 . 2 ]" 1
41 1 3 PRO HD2 1 32 ARG HG3 3.898 2.053 5.743 5.757 5.751 5.763 0.021 24 0 "[ . 1 . 2 ]" 1
42 1 3 PRO HD3 1 6 TYR QD 3.691 2.006 5.377 4.022 3.798 4.228 . 0 0 "[ . 1 . 2 ]" 1
43 1 3 PRO HD3 1 6 TYR QE 3.922 2.059 5.785 3.785 3.530 4.144 . 0 0 "[ . 1 . 2 ]" 1
44 1 3 PRO HD3 1 31 PRO HB3 4.072 2.093 6.050 6.012 5.791 6.061 0.011 5 0 "[ . 1 . 2 ]" 1
45 1 3 PRO HG2 1 6 TYR QD 3.103 . 4.336 3.950 3.743 4.188 . 0 0 "[ . 1 . 2 ]" 1
46 1 3 PRO HG2 1 6 TYR QE 3.255 . 4.605 2.171 1.984 2.522 . 0 0 "[ . 1 . 2 ]" 1
47 1 3 PRO HG3 1 6 TYR QD 3.590 . 5.198 4.844 4.668 5.008 . 0 0 "[ . 1 . 2 ]" 1
48 1 3 PRO HG3 1 6 TYR QE 3.670 2.001 5.339 3.680 3.517 3.958 . 0 0 "[ . 1 . 2 ]" 1
49 1 4 GLU H 1 5 GLY H 3.369 . 4.807 4.596 4.528 4.630 . 0 0 "[ . 1 . 2 ]" 1
50 1 4 GLU HA 1 5 GLY H 2.324 . 2.958 2.189 2.074 2.270 . 0 0 "[ . 1 . 2 ]" 1
51 1 4 GLU HA 1 6 TYR H 3.039 . 4.223 3.399 3.178 4.111 . 0 0 "[ . 1 . 2 ]" 1
52 1 4 GLU HB2 1 5 GLY H 3.360 . 4.791 3.712 2.700 4.378 . 0 0 "[ . 1 . 2 ]" 1
53 1 4 GLU HB3 1 5 GLY H 3.245 . 4.587 3.626 2.715 4.218 . 0 0 "[ . 1 . 2 ]" 1
54 1 4 GLU HG2 1 5 GLY H 3.314 . 4.710 4.152 2.433 4.720 0.010 11 0 "[ . 1 . 2 ]" 1
55 1 4 GLU HG3 1 5 GLY H 3.372 . 4.812 3.949 2.650 4.837 0.025 10 0 "[ . 1 . 2 ]" 1
56 1 5 GLY H 1 6 TYR H 3.137 . 4.396 2.402 2.258 2.596 . 0 0 "[ . 1 . 2 ]" 1
57 1 5 GLY HA2 1 6 TYR H 3.215 . 4.535 3.259 2.772 3.438 . 0 0 "[ . 1 . 2 ]" 1
58 1 5 GLY HA3 1 6 TYR H 3.214 . 4.532 3.347 3.137 3.593 . 0 0 "[ . 1 . 2 ]" 1
59 1 5 GLY HA3 1 20 HIS HD1 4.183 2.119 6.246 5.980 3.309 6.262 0.016 7 0 "[ . 1 . 2 ]" 1
60 1 6 TYR HA 1 7 GLU H 3.143 . 4.407 2.107 2.022 2.158 . 0 0 "[ . 1 . 2 ]" 1
61 1 6 TYR HA 1 20 HIS HA 3.991 2.075 5.907 2.937 2.782 3.027 . 0 0 "[ . 1 . 2 ]" 1
62 1 6 TYR HA 1 21 THR H 3.506 . 5.049 5.051 4.816 5.077 0.029 5 0 "[ . 1 . 2 ]" 1
63 1 6 TYR HB2 1 7 GLU H 3.598 . 5.212 4.309 4.187 4.419 . 0 0 "[ . 1 . 2 ]" 1
64 1 6 TYR HB2 1 18 PHE QD 3.215 . 4.535 4.528 4.195 4.550 0.015 20 0 "[ . 1 . 2 ]" 1
65 1 6 TYR HB3 1 7 GLU H 3.400 . 4.862 3.484 3.355 3.673 . 0 0 "[ . 1 . 2 ]" 1
66 1 6 TYR HB3 1 18 PHE QD 2.954 . 4.072 3.234 3.019 3.392 . 0 0 "[ . 1 . 2 ]" 1
67 1 6 TYR QD 1 20 HIS HA 3.445 . 4.941 3.777 3.529 3.982 . 0 0 "[ . 1 . 2 ]" 1
68 1 6 TYR QD 1 20 HIS HB2 4.055 2.090 6.020 2.078 2.069 2.088 0.021 7 0 "[ . 1 . 2 ]" 1
69 1 6 TYR QD 1 20 HIS HB3 3.825 2.036 5.613 3.025 2.524 3.586 . 0 0 "[ . 1 . 2 ]" 1
70 1 6 TYR QD 1 20 HIS HD1 4.094 2.099 6.089 5.145 4.674 5.576 . 0 0 "[ . 1 . 2 ]" 1
71 1 6 TYR QD 1 31 PRO HB2 3.954 2.066 5.843 3.881 3.648 4.154 . 0 0 "[ . 1 . 2 ]" 1
72 1 6 TYR QD 1 31 PRO HG3 3.532 . 5.095 3.416 2.723 3.866 . 0 0 "[ . 1 . 2 ]" 1
73 1 6 TYR QD 1 32 ARG HB2 3.724 2.013 5.435 5.439 5.354 5.457 0.022 5 0 "[ . 1 . 2 ]" 1
74 1 6 TYR QE 1 20 HIS HA 3.626 . 5.262 4.873 4.482 5.263 0.001 13 0 "[ . 1 . 2 ]" 1
75 1 6 TYR QE 1 20 HIS HB2 3.763 2.022 5.505 2.652 2.153 3.069 . 0 0 "[ . 1 . 2 ]" 1
76 1 6 TYR QE 1 20 HIS HB3 3.542 . 5.112 2.586 2.318 3.080 . 0 0 "[ . 1 . 2 ]" 1
77 1 6 TYR QE 1 20 HIS HD1 3.825 2.036 5.613 3.935 3.127 5.159 . 0 0 "[ . 1 . 2 ]" 1
78 1 6 TYR QE 1 31 PRO HB2 4.030 2.084 5.976 2.958 2.858 3.050 . 0 0 "[ . 1 . 2 ]" 1
79 1 6 TYR QE 1 31 PRO HD2 3.887 2.051 5.724 4.915 4.427 5.520 . 0 0 "[ . 1 . 2 ]" 1
80 1 6 TYR QE 1 31 PRO HD3 3.577 . 5.175 5.139 4.917 5.189 0.014 23 0 "[ . 1 . 2 ]" 1
81 1 6 TYR QE 1 31 PRO HG3 3.254 . 4.604 3.362 3.234 3.596 . 0 0 "[ . 1 . 2 ]" 1
82 1 6 TYR QE 1 32 ARG HB2 3.775 2.025 5.525 5.450 5.066 5.541 0.016 9 0 "[ . 1 . 2 ]" 1
83 1 7 GLU H 1 8 GLN H 3.812 2.033 5.590 4.362 4.161 4.474 . 0 0 "[ . 1 . 2 ]" 1
84 1 7 GLU H 1 19 LEU HB3 3.758 2.021 5.496 3.354 2.866 4.061 . 0 0 "[ . 1 . 2 ]" 1
85 1 7 GLU H 1 20 HIS HA 3.649 . 5.302 3.458 2.858 3.809 . 0 0 "[ . 1 . 2 ]" 1
86 1 7 GLU HA 1 8 GLN H 2.718 . 3.655 2.152 2.094 2.205 . 0 0 "[ . 1 . 2 ]" 1
87 1 7 GLU HB2 1 8 GLN H 3.214 . 4.533 3.823 3.197 4.452 . 0 0 "[ . 1 . 2 ]" 1
88 1 7 GLU HB3 1 8 GLN H 3.383 . 4.832 3.960 3.404 4.446 . 0 0 "[ . 1 . 2 ]" 1
89 1 7 GLU HG2 1 8 GLN H 3.814 2.034 5.594 5.047 3.736 5.605 0.011 7 0 "[ . 1 . 2 ]" 1
90 1 7 GLU HG2 1 19 LEU MD1 3.839 2.040 5.638 4.171 2.853 5.530 . 0 0 "[ . 1 . 2 ]" 1
91 1 7 GLU HG2 1 19 LEU MD2 4.102 2.101 6.104 4.564 3.440 6.109 0.005 4 0 "[ . 1 . 2 ]" 1
92 1 7 GLU HG3 1 19 LEU MD1 3.926 2.060 5.792 3.731 2.520 5.375 . 0 0 "[ . 1 . 2 ]" 1
93 1 7 GLU HG3 1 19 LEU MD2 4.170 2.116 6.224 4.563 3.564 6.240 0.015 1 0 "[ . 1 . 2 ]" 1
94 1 8 GLN H 1 9 ARG H 3.908 2.056 5.761 4.267 4.118 4.386 . 0 0 "[ . 1 . 2 ]" 1
95 1 8 GLN HA 1 9 ARG H 2.389 . 3.072 2.151 2.125 2.188 . 0 0 "[ . 1 . 2 ]" 1
96 1 8 GLN HA 1 18 PHE HA 4.072 2.093 6.050 2.815 2.387 3.121 . 0 0 "[ . 1 . 2 ]" 1
97 1 8 GLN HA 1 18 PHE QD 3.445 . 4.942 2.839 2.519 3.208 . 0 0 "[ . 1 . 2 ]" 1
98 1 8 GLN HA 1 18 PHE QE 3.845 2.041 5.648 3.757 3.219 4.222 . 0 0 "[ . 1 . 2 ]" 1
99 1 8 GLN HA 1 19 LEU H 3.970 2.070 5.870 3.380 3.110 3.832 . 0 0 "[ . 1 . 2 ]" 1
100 1 8 GLN HB2 1 9 ARG H 3.185 . 4.482 4.470 4.339 4.494 0.013 4 0 "[ . 1 . 2 ]" 1
101 1 8 GLN HB2 1 18 PHE QE 3.621 . 5.252 2.408 1.988 2.729 0.001 9 0 "[ . 1 . 2 ]" 1
102 1 8 GLN HB2 1 18 PHE HZ 3.522 . 5.077 4.714 4.114 5.081 0.004 13 0 "[ . 1 . 2 ]" 1
103 1 8 GLN HE21 1 10 THR MG 4.364 2.161 6.567 4.040 2.554 5.646 . 0 0 "[ . 1 . 2 ]" 1
104 1 8 GLN HE21 1 16 VAL HB 3.427 . 4.080 3.083 1.964 4.087 0.007 14 0 "[ . 1 . 2 ]" 1
105 1 8 GLN HE21 1 16 VAL MG1 3.953 2.066 4.567 2.770 2.061 3.513 0.005 8 0 "[ . 1 . 2 ]" 1
106 1 8 GLN HE21 1 16 VAL MG2 3.927 2.060 5.793 4.271 3.130 5.050 . 0 0 "[ . 1 . 2 ]" 1
107 1 8 GLN HG2 1 9 ARG H 2.776 . 3.758 3.431 3.169 3.622 . 0 0 "[ . 1 . 2 ]" 1
108 1 8 GLN HG2 1 18 PHE QE 3.303 . 4.690 3.130 2.308 3.852 . 0 0 "[ . 1 . 2 ]" 1
109 1 8 GLN HG2 1 18 PHE HZ 3.330 . 4.739 4.472 3.953 4.756 0.018 16 0 "[ . 1 . 2 ]" 1
110 1 9 ARG H 1 10 THR H 3.738 2.017 5.460 4.460 4.388 4.509 . 0 0 "[ . 1 . 2 ]" 1
111 1 9 ARG H 1 17 TYR QD 4.342 2.156 6.529 3.913 3.411 4.401 . 0 0 "[ . 1 . 2 ]" 1
112 1 9 ARG H 1 18 PHE HA 3.649 . 5.302 3.704 3.472 3.941 . 0 0 "[ . 1 . 2 ]" 1
113 1 9 ARG H 1 18 PHE QD 3.895 2.053 5.738 4.634 4.270 5.176 . 0 0 "[ . 1 . 2 ]" 1
114 1 9 ARG H 1 18 PHE QE 4.169 2.116 6.222 5.577 5.059 6.124 . 0 0 "[ . 1 . 2 ]" 1
115 1 9 ARG HA 1 10 THR H 2.534 . 3.330 2.123 1.969 2.181 . 0 0 "[ . 1 . 2 ]" 1
116 1 9 ARG HB2 1 10 THR H 3.886 2.051 5.721 3.976 3.884 4.196 . 0 0 "[ . 1 . 2 ]" 1
117 1 9 ARG HB2 1 17 TYR QD 3.699 2.007 5.390 3.462 2.993 3.748 . 0 0 "[ . 1 . 2 ]" 1
118 1 9 ARG HB2 1 17 TYR QE 4.031 2.084 5.978 2.613 2.077 3.073 0.007 6 0 "[ . 1 . 2 ]" 1
119 1 9 ARG HB3 1 10 THR H 3.611 . 5.235 2.716 2.569 3.108 . 0 0 "[ . 1 . 2 ]" 1
120 1 9 ARG HB3 1 17 TYR QE 4.138 2.109 6.168 3.193 2.686 3.509 . 0 0 "[ . 1 . 2 ]" 1
121 1 9 ARG HD2 1 10 THR H 3.694 2.006 5.383 5.288 4.166 5.406 0.023 3 0 "[ . 1 . 2 ]" 1
122 1 9 ARG HD2 1 17 TYR QE 4.235 2.131 6.338 3.439 2.167 4.952 . 0 0 "[ . 1 . 2 ]" 1
123 1 9 ARG HD2 1 19 LEU MD1 4.073 2.094 6.052 2.765 2.076 4.184 0.017 2 0 "[ . 1 . 2 ]" 1
124 1 9 ARG HD3 1 17 TYR QD 3.932 2.061 5.804 5.279 4.372 5.816 0.012 2 0 "[ . 1 . 2 ]" 1
125 1 9 ARG HD3 1 17 TYR QE 4.048 2.088 6.007 3.440 2.446 3.951 . 0 0 "[ . 1 . 2 ]" 1
126 1 9 ARG HD3 1 19 LEU MD1 3.909 2.056 5.763 2.939 2.041 4.630 0.015 3 0 "[ . 1 . 2 ]" 1
127 1 9 ARG HD3 1 19 LEU MD2 4.268 2.139 6.398 5.400 3.986 6.277 . 0 0 "[ . 1 . 2 ]" 1
128 1 9 ARG HG2 1 10 THR H 3.100 . 4.330 3.291 3.102 4.358 0.027 16 0 "[ . 1 . 2 ]" 1
129 1 9 ARG HG2 1 17 TYR QD 4.136 2.108 6.164 6.027 4.225 6.186 0.022 12 0 "[ . 1 . 2 ]" 1
130 1 9 ARG HG2 1 17 TYR QE 3.845 2.041 5.648 4.670 2.509 5.050 . 0 0 "[ . 1 . 2 ]" 1
131 1 9 ARG HG3 1 10 THR H 3.116 . 4.359 4.326 3.094 4.399 0.040 5 0 "[ . 1 . 2 ]" 1
132 1 9 ARG HG3 1 17 TYR QD 3.707 2.009 5.405 5.356 5.047 5.443 0.038 5 0 "[ . 1 . 2 ]" 1
133 1 9 ARG HG3 1 17 TYR QE 3.402 . 4.866 4.167 3.885 4.452 . 0 0 "[ . 1 . 2 ]" 1
134 1 10 THR H 1 11 THR H 4.196 2.122 6.270 4.076 3.763 4.473 . 0 0 "[ . 1 . 2 ]" 1
135 1 10 THR H 1 17 TYR QD 4.008 2.079 5.938 5.925 5.619 5.967 0.029 23 0 "[ . 1 . 2 ]" 1
136 1 10 THR H 1 17 TYR QE 4.080 2.095 6.064 5.137 4.784 5.464 . 0 0 "[ . 1 . 2 ]" 1
137 1 10 THR HA 1 11 THR H 3.364 . 4.798 2.204 2.138 2.314 . 0 0 "[ . 1 . 2 ]" 1
138 1 10 THR HA 1 16 VAL HA 4.000 2.077 5.923 3.218 2.579 4.067 . 0 0 "[ . 1 . 2 ]" 1
139 1 10 THR HA 1 16 VAL MG1 4.093 2.098 6.088 3.513 2.887 4.365 . 0 0 "[ . 1 . 2 ]" 1
140 1 10 THR HA 1 17 TYR H 3.515 . 5.064 4.229 3.796 4.776 . 0 0 "[ . 1 . 2 ]" 1
141 1 10 THR HA 1 17 TYR QD 3.906 2.055 5.757 4.920 4.225 5.297 . 0 0 "[ . 1 . 2 ]" 1
142 1 10 THR HA 1 17 TYR QE 4.148 2.111 6.185 4.902 4.263 5.412 . 0 0 "[ . 1 . 2 ]" 1
143 1 10 THR HB 1 11 THR H 3.793 2.029 5.558 3.765 2.724 4.429 . 0 0 "[ . 1 . 2 ]" 1
144 1 10 THR MG 1 11 THR H 3.919 2.058 5.779 3.596 2.321 4.155 . 0 0 "[ . 1 . 2 ]" 1
145 1 10 THR MG 1 16 VAL MG1 3.261 . 4.616 2.611 1.902 3.538 0.005 1 0 "[ . 1 . 2 ]" 1
146 1 10 THR MG 1 16 VAL MG2 3.880 2.049 5.710 4.864 4.250 5.598 . 0 0 "[ . 1 . 2 ]" 1
147 1 10 THR MG 1 17 TYR H 3.792 2.029 5.555 4.985 4.350 5.563 0.007 5 0 "[ . 1 . 2 ]" 1
148 1 11 THR H 1 15 GLN H 3.986 2.074 5.898 3.677 3.154 4.519 . 0 0 "[ . 1 . 2 ]" 1
149 1 11 THR H 1 16 VAL HA 3.967 2.069 5.864 4.291 3.693 4.978 . 0 0 "[ . 1 . 2 ]" 1
150 1 11 THR H 1 17 TYR QD 4.304 2.147 6.461 4.314 3.719 5.237 . 0 0 "[ . 1 . 2 ]" 1
151 1 11 THR H 1 17 TYR QE 4.436 2.177 6.694 3.846 2.946 4.700 . 0 0 "[ . 1 . 2 ]" 1
152 1 11 THR HA 1 17 TYR QE 3.821 2.036 5.606 4.475 4.159 4.752 . 0 0 "[ . 1 . 2 ]" 1
153 1 11 THR HB 1 12 VAL H 3.476 . 4.996 3.857 3.772 4.016 . 0 0 "[ . 1 . 2 ]" 1
154 1 11 THR HB 1 17 TYR QD 4.331 2.153 6.509 4.225 3.926 4.732 . 0 0 "[ . 1 . 2 ]" 1
155 1 11 THR HB 1 17 TYR QE 4.434 2.177 6.692 2.244 2.165 2.606 0.013 13 0 "[ . 1 . 2 ]" 1
156 1 11 THR MG 1 12 VAL H 3.999 2.077 5.922 3.751 3.545 3.947 . 0 0 "[ . 1 . 2 ]" 1
157 1 11 THR MG 1 17 TYR QD 3.553 . 5.132 2.511 2.241 2.766 . 0 0 "[ . 1 . 2 ]" 1
158 1 11 THR MG 1 17 TYR QE 3.598 . 5.211 2.019 1.960 2.225 0.024 3 0 "[ . 1 . 2 ]" 1
159 1 11 THR MG 1 28 TRP HH2 3.434 . 4.922 4.773 4.421 4.924 0.002 15 0 "[ . 1 . 2 ]" 1
160 1 11 THR MG 1 28 TRP HZ3 3.713 2.011 5.415 4.965 4.414 5.425 0.010 23 0 "[ . 1 . 2 ]" 1
161 1 12 VAL H 1 13 GLN H 2.793 . 3.787 2.822 2.602 3.060 . 0 0 "[ . 1 . 2 ]" 1
162 1 12 VAL HA 1 13 GLN H 3.639 . 5.285 3.451 3.395 3.538 . 0 0 "[ . 1 . 2 ]" 1
163 1 12 VAL HB 1 13 GLN H 2.817 . 3.831 3.558 2.873 3.858 0.028 16 0 "[ . 1 . 2 ]" 1
164 1 12 VAL MG1 1 13 GLN H 3.802 2.031 5.573 3.748 2.258 4.217 . 0 0 "[ . 1 . 2 ]" 1
165 1 12 VAL MG2 1 13 GLN H 3.482 . 5.007 3.248 2.401 4.063 . 0 0 "[ . 1 . 2 ]" 1
166 1 13 GLN HA 1 14 GLY H 3.250 . 4.595 3.452 3.401 3.527 . 0 0 "[ . 1 . 2 ]" 1
167 1 13 GLN HB2 1 14 GLY H 3.935 2.062 5.808 3.386 2.859 4.114 . 0 0 "[ . 1 . 2 ]" 1
168 1 13 GLN HB3 1 14 GLY H 3.263 . 4.619 4.010 2.706 4.246 . 0 0 "[ . 1 . 2 ]" 1
169 1 13 GLN HB3 1 17 TYR QE 4.208 2.125 6.291 6.114 3.873 6.301 0.010 11 0 "[ . 1 . 2 ]" 1
170 1 13 GLN HG2 1 14 GLY H 3.810 2.033 5.586 3.937 3.010 5.424 . 0 0 "[ . 1 . 2 ]" 1
171 1 13 GLN HG2 1 17 TYR QD 3.808 2.033 5.584 5.255 4.267 5.604 0.020 13 0 "[ . 1 . 2 ]" 1
172 1 13 GLN HG3 1 14 GLY H 3.556 . 5.138 4.393 2.540 5.153 0.015 1 0 "[ . 1 . 2 ]" 1
173 1 14 GLY H 1 15 GLN H 3.227 . 4.556 2.360 2.196 2.549 . 0 0 "[ . 1 . 2 ]" 1
174 1 14 GLY HA2 1 15 GLN H 3.584 . 5.187 2.970 2.792 3.371 . 0 0 "[ . 1 . 2 ]" 1
175 1 14 GLY HA3 1 15 GLN H 3.599 . 5.214 3.466 3.140 3.562 . 0 0 "[ . 1 . 2 ]" 1
176 1 15 GLN HA 1 16 VAL H 2.308 . 2.929 2.200 2.093 2.291 . 0 0 "[ . 1 . 2 ]" 1
177 1 15 GLN HB2 1 16 VAL H 3.134 . 4.390 3.536 2.848 4.208 . 0 0 "[ . 1 . 2 ]" 1
178 1 15 GLN HB2 1 17 TYR QD 3.870 2.047 5.692 3.874 2.897 4.411 . 0 0 "[ . 1 . 2 ]" 1
179 1 15 GLN HB2 1 17 TYR QE 4.006 2.078 5.934 5.676 4.882 5.956 0.022 14 0 "[ . 1 . 2 ]" 1
180 1 15 GLN HB2 1 28 TRP HH2 3.129 . 4.382 2.500 2.154 3.042 . 0 0 "[ . 1 . 2 ]" 1
181 1 15 GLN HB2 1 28 TRP HZ2 3.709 2.010 5.408 4.758 4.340 5.327 . 0 0 "[ . 1 . 2 ]" 1
182 1 15 GLN HB2 1 28 TRP HZ3 2.956 . 4.076 2.118 1.813 3.852 0.023 14 0 "[ . 1 . 2 ]" 1
183 1 15 GLN HB3 1 16 VAL H 4.080 2.095 6.065 3.341 2.832 4.114 . 0 0 "[ . 1 . 2 ]" 1
184 1 15 GLN HB3 1 28 TRP HZ2 3.474 . 4.993 4.821 4.129 5.002 0.009 12 0 "[ . 1 . 2 ]" 1
185 1 15 GLN HB3 1 28 TRP HZ3 3.187 . 4.484 2.315 1.875 3.523 0.014 12 0 "[ . 1 . 2 ]" 1
186 1 15 GLN HE22 1 28 TRP HZ2 3.949 2.065 5.832 3.578 2.840 5.669 . 0 0 "[ . 1 . 2 ]" 1
187 1 15 GLN HG2 1 16 VAL H 3.481 . 5.006 4.831 4.473 5.031 0.025 9 0 "[ . 1 . 2 ]" 1
188 1 15 GLN HG2 1 28 TRP HH2 3.427 . 4.909 3.778 2.018 4.372 . 0 0 "[ . 1 . 2 ]" 1
189 1 15 GLN HG2 1 28 TRP HZ2 4.047 2.088 6.006 5.586 3.070 6.017 0.012 5 0 "[ . 1 . 2 ]" 1
190 1 15 GLN HG2 1 28 TRP HZ3 3.166 . 4.448 4.209 3.517 4.476 0.028 9 0 "[ . 1 . 2 ]" 1
191 1 15 GLN HG3 1 28 TRP HZ3 2.976 . 4.112 3.926 3.160 4.148 0.036 12 0 "[ . 1 . 2 ]" 1
192 1 16 VAL HA 1 17 TYR H 2.441 . 3.164 2.186 2.124 2.250 . 0 0 "[ . 1 . 2 ]" 1
193 1 16 VAL HB 1 17 TYR H 2.739 . 3.691 3.174 2.909 3.642 . 0 0 "[ . 1 . 2 ]" 1
194 1 16 VAL HB 1 18 PHE QE 3.459 . 4.966 4.679 4.261 4.779 . 0 0 "[ . 1 . 2 ]" 1
195 1 16 VAL HB 1 18 PHE HZ 3.436 . 4.925 4.885 4.742 4.939 0.014 21 0 "[ . 1 . 2 ]" 1
196 1 16 VAL MG1 1 17 TYR H 3.351 . 4.775 3.833 3.733 3.985 . 0 0 "[ . 1 . 2 ]" 1
197 1 16 VAL MG1 1 18 PHE QE 3.873 2.048 5.698 5.268 4.998 5.333 . 0 0 "[ . 1 . 2 ]" 1
198 1 16 VAL MG1 1 18 PHE HZ 3.716 2.011 5.420 5.427 5.410 5.437 0.016 8 0 "[ . 1 . 2 ]" 1
199 1 16 VAL MG2 1 17 TYR H 3.284 . 4.657 4.010 3.837 4.252 . 0 0 "[ . 1 . 2 ]" 1
200 1 16 VAL MG2 1 18 PHE QD 3.872 2.047 5.697 5.036 4.800 5.409 . 0 0 "[ . 1 . 2 ]" 1
201 1 16 VAL MG2 1 18 PHE QE 3.716 2.011 5.420 4.267 4.027 4.630 . 0 0 "[ . 1 . 2 ]" 1
202 1 16 VAL MG2 1 18 PHE HZ 3.434 . 4.921 4.500 3.904 4.918 . 0 0 "[ . 1 . 2 ]" 1
203 1 17 TYR HA 1 18 PHE H 3.068 . 4.275 2.189 2.136 2.219 . 0 0 "[ . 1 . 2 ]" 1
204 1 17 TYR HA 1 18 PHE QD 3.247 . 4.590 4.405 4.287 4.541 . 0 0 "[ . 1 . 2 ]" 1
205 1 17 TYR HA 1 28 TRP HZ3 3.591 . 5.199 4.213 3.418 4.704 . 0 0 "[ . 1 . 2 ]" 1
206 1 17 TYR HB2 1 18 PHE H 3.330 . 4.738 3.152 2.949 3.359 . 0 0 "[ . 1 . 2 ]" 1
207 1 17 TYR HB2 1 28 TRP HA 4.135 2.108 6.161 4.351 3.877 4.818 . 0 0 "[ . 1 . 2 ]" 1
208 1 17 TYR HB2 1 28 TRP HE3 3.433 . 4.920 4.638 4.077 4.931 0.010 1 0 "[ . 1 . 2 ]" 1
209 1 17 TYR HB3 1 18 PHE H 3.354 . 4.780 4.147 4.000 4.335 . 0 0 "[ . 1 . 2 ]" 1
210 1 17 TYR HB3 1 28 TRP HA 4.243 2.133 6.353 4.491 4.159 4.957 . 0 0 "[ . 1 . 2 ]" 1
211 1 17 TYR HB3 1 28 TRP HE3 3.650 . 5.303 3.933 3.563 4.333 . 0 0 "[ . 1 . 2 ]" 1
212 1 17 TYR QD 1 18 PHE H 3.661 . 5.323 3.797 3.552 4.004 . 0 0 "[ . 1 . 2 ]" 1
213 1 17 TYR QD 1 19 LEU HB2 3.949 2.065 4.257 3.381 2.500 4.268 0.011 7 0 "[ . 1 . 2 ]" 1
214 1 17 TYR QD 1 19 LEU MD1 4.242 2.133 6.351 3.639 2.325 4.031 . 0 0 "[ . 1 . 2 ]" 1
215 1 17 TYR QD 1 19 LEU MD2 4.200 2.123 6.276 4.567 3.634 5.097 . 0 0 "[ . 1 . 2 ]" 1
216 1 17 TYR QD 1 19 LEU HG 3.745 2.018 5.471 3.272 2.396 4.432 . 0 0 "[ . 1 . 2 ]" 1
217 1 17 TYR QD 1 26 SER HA 4.285 2.143 6.427 3.775 3.209 4.420 . 0 0 "[ . 1 . 2 ]" 1
218 1 17 TYR QD 1 26 SER HB2 3.503 . 5.044 4.070 3.432 4.673 . 0 0 "[ . 1 . 2 ]" 1
219 1 17 TYR QD 1 26 SER HB3 3.455 . 4.959 4.036 3.245 4.958 . 0 0 "[ . 1 . 2 ]" 1
220 1 17 TYR QD 1 28 TRP HH2 3.754 2.020 5.488 4.596 4.134 4.838 . 0 0 "[ . 1 . 2 ]" 1
221 1 17 TYR QD 1 28 TRP HZ2 4.227 2.129 6.324 6.246 5.774 6.350 0.026 15 0 "[ . 1 . 2 ]" 1
222 1 17 TYR QD 1 28 TRP HZ3 3.553 . 5.133 4.219 3.871 4.627 . 0 0 "[ . 1 . 2 ]" 1
223 1 17 TYR QE 1 19 LEU HB2 3.954 2.066 4.231 3.264 2.528 4.235 0.003 16 0 "[ . 1 . 2 ]" 1
224 1 17 TYR QE 1 19 LEU MD1 4.048 2.088 6.008 2.164 2.080 2.461 0.008 23 0 "[ . 1 . 2 ]" 1
225 1 17 TYR QE 1 19 LEU MD2 3.966 2.069 5.864 4.103 3.030 4.867 . 0 0 "[ . 1 . 2 ]" 1
226 1 17 TYR QE 1 19 LEU HG 3.669 2.000 5.337 2.915 2.026 4.578 . 0 0 "[ . 1 . 2 ]" 1
227 1 17 TYR QE 1 26 SER HB2 3.838 2.040 5.637 4.985 4.090 5.640 0.002 4 0 "[ . 1 . 2 ]" 1
228 1 17 TYR QE 1 26 SER HB3 3.758 2.021 5.496 4.454 3.507 5.402 . 0 0 "[ . 1 . 2 ]" 1
229 1 18 PHE H 1 27 THR H 3.864 2.045 5.682 2.932 2.622 3.372 . 0 0 "[ . 1 . 2 ]" 1
230 1 18 PHE HA 1 19 LEU H 3.306 . 4.695 2.077 2.010 2.140 . 0 0 "[ . 1 . 2 ]" 1
231 1 18 PHE HB2 1 19 LEU H 3.861 2.045 5.677 4.344 4.266 4.438 . 0 0 "[ . 1 . 2 ]" 1
232 1 18 PHE HB2 1 25 VAL MG1 4.028 2.083 5.973 3.874 3.666 4.215 . 0 0 "[ . 1 . 2 ]" 1
233 1 18 PHE HB2 1 27 THR MG 3.489 . 5.019 2.564 2.025 4.882 . 0 0 "[ . 1 . 2 ]" 1
234 1 18 PHE HB3 1 19 LEU H 3.711 2.010 5.412 3.416 3.233 3.665 . 0 0 "[ . 1 . 2 ]" 1
235 1 18 PHE HB3 1 25 VAL HB 3.858 2.044 5.673 5.694 5.685 5.703 0.030 18 0 "[ . 1 . 2 ]" 1
236 1 18 PHE HB3 1 27 THR MG 3.804 2.032 5.577 3.552 3.048 5.577 0.000 7 0 "[ . 1 . 2 ]" 1
237 1 18 PHE QD 1 27 THR H 4.236 2.131 6.341 4.967 4.822 5.163 . 0 0 "[ . 1 . 2 ]" 1
238 1 18 PHE QD 1 29 HIS H 3.977 2.072 5.882 4.535 4.188 5.034 . 0 0 "[ . 1 . 2 ]" 1
239 1 18 PHE QD 1 30 ASP H 4.049 2.088 6.009 3.609 3.449 3.812 . 0 0 "[ . 1 . 2 ]" 1
240 1 18 PHE QD 1 30 ASP HA 3.595 . 5.207 2.121 1.969 2.407 0.014 13 0 "[ . 1 . 2 ]" 1
241 1 18 PHE QD 1 30 ASP HB2 3.876 2.048 5.704 3.951 3.689 4.246 . 0 0 "[ . 1 . 2 ]" 1
242 1 18 PHE QD 1 31 PRO HG3 3.182 . 4.475 3.887 3.473 4.394 . 0 0 "[ . 1 . 2 ]" 1
243 1 18 PHE QD 1 33 ILE HG12 3.881 2.049 5.712 5.735 5.730 5.744 0.032 18 0 "[ . 1 . 2 ]" 1
244 1 18 PHE QD 1 33 ILE QG 4.007 2.079 5.936 5.264 5.194 5.322 . 0 0 "[ . 1 . 2 ]" 1
245 1 18 PHE QE 1 29 HIS HA 3.665 . 5.331 4.575 4.125 5.017 . 0 0 "[ . 1 . 2 ]" 1
246 1 18 PHE QE 1 30 ASP H 4.033 2.085 5.981 3.126 2.828 3.566 . 0 0 "[ . 1 . 2 ]" 1
247 1 18 PHE QE 1 30 ASP HA 3.606 . 5.225 2.252 1.984 2.470 0.002 12 0 "[ . 1 . 2 ]" 1
248 1 18 PHE QE 1 30 ASP HB2 3.938 2.063 5.813 2.219 2.051 2.492 0.011 13 0 "[ . 1 . 2 ]" 1
249 1 18 PHE QE 1 31 PRO HD3 3.604 . 5.223 3.573 3.319 3.855 . 0 0 "[ . 1 . 2 ]" 1
250 1 18 PHE QE 1 33 ILE HG13 3.832 2.038 5.625 5.641 5.630 5.656 0.030 13 0 "[ . 1 . 2 ]" 1
251 1 18 PHE HZ 1 30 ASP HA 3.541 . 5.111 3.975 3.692 4.304 . 0 0 "[ . 1 . 2 ]" 1
252 1 18 PHE HZ 1 30 ASP HB2 3.695 2.007 5.384 3.648 3.056 4.002 . 0 0 "[ . 1 . 2 ]" 1
253 1 18 PHE HZ 1 31 PRO HD3 3.488 . 5.017 4.762 4.475 5.022 0.005 23 0 "[ . 1 . 2 ]" 1
254 1 19 LEU HA 1 20 HIS H 3.623 . 5.256 2.146 2.091 2.252 . 0 0 "[ . 1 . 2 ]" 1
255 1 19 LEU HA 1 27 THR H 4.307 2.148 6.467 4.134 3.694 4.426 . 0 0 "[ . 1 . 2 ]" 1
256 1 19 LEU HB2 1 20 HIS H 3.947 2.065 5.829 4.514 4.143 4.651 . 0 0 "[ . 1 . 2 ]" 1
257 1 19 LEU HB2 1 26 SER HA 4.175 2.117 6.233 4.676 3.603 5.399 . 0 0 "[ . 1 . 2 ]" 1
258 1 19 LEU HB3 1 20 HIS H 3.728 2.014 5.441 3.886 3.050 4.201 . 0 0 "[ . 1 . 2 ]" 1
259 1 19 LEU MD1 1 20 HIS H 3.970 2.070 5.870 4.941 4.585 5.279 . 0 0 "[ . 1 . 2 ]" 1
260 1 19 LEU MD1 1 21 THR HA 4.137 2.108 6.165 6.012 5.560 6.174 0.009 1 0 "[ . 1 . 2 ]" 1
261 1 19 LEU MD1 1 21 THR HB 3.668 2.000 5.335 4.752 4.015 5.348 0.013 8 0 "[ . 1 . 2 ]" 1
262 1 19 LEU MD1 1 26 SER HB2 3.904 2.055 5.754 5.100 3.000 5.663 . 0 0 "[ . 1 . 2 ]" 1
263 1 19 LEU MD1 1 26 SER HB3 4.005 2.078 5.932 3.970 2.144 4.499 . 0 0 "[ . 1 . 2 ]" 1
264 1 19 LEU MD2 1 20 HIS H 3.671 2.001 5.340 2.763 2.100 3.586 . 0 0 "[ . 1 . 2 ]" 1
265 1 19 LEU MD2 1 21 THR HA 4.272 2.140 6.404 3.800 3.399 4.828 . 0 0 "[ . 1 . 2 ]" 1
266 1 19 LEU MD2 1 26 SER HB2 3.348 . 4.769 4.539 3.388 4.786 0.017 23 0 "[ . 1 . 2 ]" 1
267 1 19 LEU MD2 1 26 SER HB3 3.642 . 5.291 3.104 1.991 3.487 0.004 2 0 "[ . 1 . 2 ]" 1
268 1 19 LEU HG 1 20 HIS H 3.382 . 4.831 4.335 3.386 4.842 0.011 21 0 "[ . 1 . 2 ]" 1
269 1 19 LEU HG 1 27 THR H 3.647 . 5.298 5.269 4.827 5.314 0.016 11 0 "[ . 1 . 2 ]" 1
270 1 20 HIS H 1 26 SER HA 3.964 2.069 5.859 4.025 3.782 4.295 . 0 0 "[ . 1 . 2 ]" 1
271 1 20 HIS HA 1 21 THR H 2.339 . 2.985 2.303 2.232 2.349 . 0 0 "[ . 1 . 2 ]" 1
272 1 20 HIS HB2 1 21 THR H 3.679 2.003 5.355 4.540 4.413 4.616 . 0 0 "[ . 1 . 2 ]" 1
273 1 20 HIS HB2 1 25 VAL H 3.745 2.018 5.472 5.111 4.878 5.234 . 0 0 "[ . 1 . 2 ]" 1
274 1 20 HIS HB2 1 25 VAL HB 3.522 . 5.078 3.488 3.180 3.517 . 0 0 "[ . 1 . 2 ]" 1
275 1 20 HIS HB2 1 25 VAL MG1 4.093 2.098 6.088 4.003 3.757 4.175 . 0 0 "[ . 1 . 2 ]" 1
276 1 20 HIS HB2 1 25 VAL MG2 4.022 2.082 5.961 4.256 3.827 4.408 . 0 0 "[ . 1 . 2 ]" 1
277 1 20 HIS HB3 1 21 THR H 3.629 . 5.266 4.561 4.520 4.665 . 0 0 "[ . 1 . 2 ]" 1
278 1 20 HIS HB3 1 25 VAL H 3.962 2.068 5.856 3.660 3.382 3.786 . 0 0 "[ . 1 . 2 ]" 1
279 1 20 HIS HE1 1 22 GLN HB2 2.297 . 2.910 2.619 2.183 2.910 . 0 0 "[ . 1 . 2 ]" 1
280 1 20 HIS HE1 1 22 GLN HG2 3.184 . 4.480 4.156 3.380 4.476 . 0 0 "[ . 1 . 2 ]" 1
281 1 20 HIS HE1 1 22 GLN HG3 3.151 . 4.421 4.428 4.377 4.439 0.018 17 0 "[ . 1 . 2 ]" 1
282 1 20 HIS HE1 1 23 THR MG 2.746 . 3.704 3.719 3.712 3.726 0.022 21 0 "[ . 1 . 2 ]" 1
283 1 21 THR H 1 22 GLN H 3.575 . 5.170 3.728 3.624 3.760 . 0 0 "[ . 1 . 2 ]" 1
284 1 21 THR HA 1 22 GLN H 3.273 . 4.638 2.337 2.277 2.401 . 0 0 "[ . 1 . 2 ]" 1
285 1 21 THR HB 1 22 GLN H 3.622 . 5.255 4.497 4.195 4.570 . 0 0 "[ . 1 . 2 ]" 1
286 1 21 THR MG 1 22 GLN H 3.786 2.027 5.544 4.067 3.711 4.218 . 0 0 "[ . 1 . 2 ]" 1
287 1 22 GLN H 1 23 THR H 3.937 2.062 5.812 2.056 2.047 2.078 0.016 24 0 "[ . 1 . 2 ]" 1
288 1 22 GLN HA 1 23 THR H 3.749 2.019 5.478 3.481 3.448 3.494 . 0 0 "[ . 1 . 2 ]" 1
289 1 22 GLN HB2 1 23 THR H 3.589 . 5.196 3.521 3.376 3.680 . 0 0 "[ . 1 . 2 ]" 1
290 1 22 GLN HB2 1 23 THR MG 3.384 . 4.833 4.128 3.885 4.315 . 0 0 "[ . 1 . 2 ]" 1
291 1 22 GLN HG2 1 23 THR H 3.260 . 4.613 3.586 2.767 4.214 . 0 0 "[ . 1 . 2 ]" 1
292 1 22 GLN HG2 1 23 THR MG 3.826 2.037 5.616 2.802 2.257 3.150 . 0 0 "[ . 1 . 2 ]" 1
293 1 22 GLN HG3 1 23 THR H 3.332 . 4.742 4.425 3.516 4.671 . 0 0 "[ . 1 . 2 ]" 1
294 1 22 GLN HG3 1 23 THR MG 3.758 2.021 5.495 4.064 2.746 4.551 . 0 0 "[ . 1 . 2 ]" 1
295 1 23 THR H 1 24 GLY H 3.362 . 4.795 1.923 1.918 1.928 0.011 16 0 "[ . 1 . 2 ]" 1
296 1 23 THR HA 1 24 GLY H 2.142 . 2.642 2.828 2.822 2.835 0.193 5 0 "[ . 1 . 2 ]" 1
297 1 23 THR HA 1 25 VAL H 3.731 2.015 5.448 5.461 5.339 5.482 0.034 4 0 "[ . 1 . 2 ]" 1
298 1 23 THR HB 1 24 GLY H 2.946 . 4.058 3.983 3.941 4.012 . 0 0 "[ . 1 . 2 ]" 1
299 1 23 THR HB 1 25 VAL H 3.810 2.033 5.586 5.588 5.503 5.636 0.050 20 0 "[ . 1 . 2 ]" 1
300 1 23 THR MG 1 24 GLY H 3.709 2.010 5.409 3.770 2.785 3.865 . 0 0 "[ . 1 . 2 ]" 1
301 1 23 THR MG 1 25 VAL MG2 3.822 2.036 5.609 3.929 2.026 4.209 0.010 20 0 "[ . 1 . 2 ]" 1
302 1 24 GLY H 1 25 VAL H 3.168 . 4.451 2.892 2.820 2.941 . 0 0 "[ . 1 . 2 ]" 1
303 1 24 GLY HA2 1 25 VAL H 3.561 . 5.147 2.480 2.414 2.537 . 0 0 "[ . 1 . 2 ]" 1
304 1 24 GLY HA3 1 25 VAL H 3.559 . 5.143 3.566 3.540 3.581 . 0 0 "[ . 1 . 2 ]" 1
305 1 25 VAL H 1 26 SER H 3.578 2.039 5.177 4.420 4.367 4.515 . 0 0 "[ . 1 . 2 ]" 1
306 1 25 VAL HA 1 26 SER H 2.416 . 3.121 2.051 2.002 2.107 . 0 0 "[ . 1 . 2 ]" 1
307 1 25 VAL HB 1 26 SER H 3.214 . 4.533 4.268 4.129 4.375 . 0 0 "[ . 1 . 2 ]" 1
308 1 25 VAL HB 1 27 THR MG 3.823 2.036 5.610 4.447 4.259 4.729 . 0 0 "[ . 1 . 2 ]" 1
309 1 25 VAL MG1 1 26 SER H 2.823 . 3.840 2.708 2.502 2.852 . 0 0 "[ . 1 . 2 ]" 1
310 1 25 VAL MG1 1 27 THR MG 3.795 2.030 5.560 2.106 2.030 2.253 . 0 0 "[ . 1 . 2 ]" 1
311 1 25 VAL MG2 1 26 SER H 2.764 . 3.737 3.763 3.754 3.771 0.035 18 0 "[ . 1 . 2 ]" 1
312 1 25 VAL MG2 1 27 THR MG 3.877 2.049 5.705 3.941 3.705 4.078 . 0 0 "[ . 1 . 2 ]" 1
313 1 25 VAL MG2 1 29 HIS HD2 4.323 2.151 6.494 6.498 6.474 6.507 0.013 14 0 "[ . 1 . 2 ]" 1
314 1 25 VAL MG2 1 29 HIS HE1 4.312 2.149 6.475 6.481 6.475 6.486 0.011 4 0 "[ . 1 . 2 ]" 1
315 1 26 SER HA 1 27 THR H 3.611 . 5.235 2.164 2.129 2.191 . 0 0 "[ . 1 . 2 ]" 1
316 1 26 SER HB2 1 27 THR H 3.899 2.054 5.745 3.809 3.697 3.942 . 0 0 "[ . 1 . 2 ]" 1
317 1 26 SER HB3 1 27 THR H 3.816 2.034 5.598 4.292 4.183 4.403 . 0 0 "[ . 1 . 2 ]" 1
318 1 27 THR HA 1 28 TRP H 2.877 . 3.937 2.236 2.204 2.268 . 0 0 "[ . 1 . 2 ]" 1
319 1 27 THR HA 1 29 HIS HD2 3.548 . 5.123 4.707 4.423 4.879 . 0 0 "[ . 1 . 2 ]" 1
320 1 27 THR HB 1 28 TRP H 3.406 . 4.872 3.876 2.773 4.022 . 0 0 "[ . 1 . 2 ]" 1
321 1 27 THR HB 1 29 HIS HD2 3.933 2.062 5.805 3.616 2.061 3.973 0.001 7 0 "[ . 1 . 2 ]" 1
322 1 27 THR MG 1 28 TRP H 3.788 2.028 5.547 3.637 3.423 3.770 . 0 0 "[ . 1 . 2 ]" 1
323 1 27 THR MG 1 29 HIS H 3.731 2.015 5.448 2.960 2.636 3.964 . 0 0 "[ . 1 . 2 ]" 1
324 1 27 THR MG 1 29 HIS HD2 4.322 2.151 6.493 2.834 2.412 3.723 . 0 0 "[ . 1 . 2 ]" 1
325 1 28 TRP H 1 29 HIS H 3.410 . 4.879 2.565 2.426 2.729 . 0 0 "[ . 1 . 2 ]" 1
326 1 28 TRP HA 1 29 HIS H 4.043 2.087 6.000 3.501 3.435 3.563 . 0 0 "[ . 1 . 2 ]" 1
327 1 28 TRP HB2 1 29 HIS H 3.818 2.035 5.601 2.901 2.397 3.322 . 0 0 "[ . 1 . 2 ]" 1
328 1 28 TRP HB3 1 29 HIS H 3.073 . 4.282 3.721 3.165 4.005 . 0 0 "[ . 1 . 2 ]" 1
329 1 29 HIS HA 1 30 ASP H 2.909 . 3.993 2.139 2.101 2.200 . 0 0 "[ . 1 . 2 ]" 1
330 1 29 HIS HB2 1 30 ASP H 3.269 . 4.630 3.280 3.043 3.415 . 0 0 "[ . 1 . 2 ]" 1
331 1 29 HIS HB3 1 30 ASP H 3.490 . 5.020 4.332 4.208 4.396 . 0 0 "[ . 1 . 2 ]" 1
332 1 30 ASP HA 1 31 PRO HD3 2.427 . 3.140 1.896 1.736 2.203 . 0 0 "[ . 1 . 2 ]" 1
333 1 30 ASP HA 1 32 ARG H 3.732 2.015 5.449 3.785 3.545 3.949 . 0 0 "[ . 1 . 2 ]" 1
334 1 30 ASP HB2 1 31 PRO HD3 3.624 . 5.257 4.301 4.072 4.577 . 0 0 "[ . 1 . 2 ]" 1
335 1 30 ASP HB3 1 31 PRO HD2 4.915 2.288 7.541 4.503 4.130 4.761 . 0 0 "[ . 1 . 2 ]" 1
336 1 30 ASP HB3 1 31 PRO HD3 3.811 2.033 5.589 4.619 4.434 4.923 . 0 0 "[ . 1 . 2 ]" 1
337 1 30 ASP HB3 1 33 ILE HB 3.742 2.017 5.466 4.052 3.593 4.290 . 0 0 "[ . 1 . 2 ]" 1
338 1 30 ASP HB3 1 33 ILE MD 3.876 2.048 5.704 2.244 2.049 2.535 . 0 0 "[ . 1 . 2 ]" 1
339 1 30 ASP HB3 1 33 ILE HG13 3.525 . 5.083 2.491 2.107 2.748 . 0 0 "[ . 1 . 2 ]" 1
340 1 30 ASP HB3 1 33 ILE MG 4.735 2.247 7.224 3.386 2.836 4.180 . 0 0 "[ . 1 . 2 ]" 1
341 1 31 PRO HA 1 32 ARG H 3.349 . 4.771 3.397 3.382 3.418 . 0 0 "[ . 1 . 2 ]" 1
342 1 31 PRO HA 1 33 ILE H 2.493 . 3.256 3.289 3.278 3.299 0.043 11 0 "[ . 1 . 2 ]" 1
343 1 31 PRO HD2 1 32 ARG H 3.817 2.035 5.600 2.466 2.222 2.690 . 0 0 "[ . 1 . 2 ]" 1
344 1 31 PRO HD3 1 32 ARG H 3.680 2.003 5.357 3.685 3.517 3.899 . 0 0 "[ . 1 . 2 ]" 1
345 1 32 ARG H 1 33 ILE H 2.816 . 3.828 2.280 2.186 2.347 . 0 0 "[ . 1 . 2 ]" 1
346 1 32 ARG HA 1 33 ILE H 2.967 . 4.096 3.291 3.214 3.344 . 0 0 "[ . 1 . 2 ]" 1
347 1 32 ARG HB2 1 33 ILE H 2.860 . 3.906 3.946 3.937 3.958 0.052 21 0 "[ . 1 . 2 ]" 1
348 1 32 ARG HB3 1 33 ILE H 3.082 . 4.299 3.215 3.087 3.319 . 0 0 "[ . 1 . 2 ]" 1
349 1 32 ARG HG3 1 33 ILE H 3.232 . 4.564 4.550 4.409 4.587 0.023 2 0 "[ . 1 . 2 ]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 10:31:20 PM GMT (wattos1)