NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621618 |
5wod   |
30320 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5wod
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 386
_Distance_constraint_stats_list.Viol_count 560
_Distance_constraint_stats_list.Viol_total 1600.889
_Distance_constraint_stats_list.Viol_max 0.459
_Distance_constraint_stats_list.Viol_rms 0.0471
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.1429
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.032 0.032 18 0 "[ . 1 . 2]"
1 3 GLU 0.264 0.097 12 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ARG 4.322 0.257 4 0 "[ . 1 . 2]"
1 6 ALA 0.619 0.115 5 0 "[ . 1 . 2]"
1 7 GLN 1.009 0.160 3 0 "[ . 1 . 2]"
1 8 LEU 9.529 0.459 17 0 "[ . 1 . 2]"
1 9 LEU 16.025 0.405 4 0 "[ . 1 . 2]"
1 10 THR 0.712 0.125 14 0 "[ . 1 . 2]"
1 11 ALA 6.134 0.306 13 0 "[ . 1 . 2]"
1 12 ALA 6.131 0.290 14 0 "[ . 1 . 2]"
1 13 GLU 0.900 0.125 14 0 "[ . 1 . 2]"
1 14 LYS 2.866 0.191 16 0 "[ . 1 . 2]"
1 15 ALA 0.699 0.080 9 0 "[ . 1 . 2]"
1 16 ASP 1.849 0.188 20 0 "[ . 1 . 2]"
1 17 GLU 5.913 0.302 11 0 "[ . 1 . 2]"
1 18 LEU 6.450 0.300 19 0 "[ . 1 . 2]"
1 20 CYS 0.654 0.133 6 0 "[ . 1 . 2]"
1 21 PRO 0.237 0.107 20 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 1.040 0.107 20 0 "[ . 1 . 2]"
1 25 ALA 0.149 0.149 1 0 "[ . 1 . 2]"
1 26 GLN 1.392 0.173 18 0 "[ . 1 . 2]"
1 27 LEU 11.907 0.334 10 0 "[ . 1 . 2]"
1 28 LEU 11.188 0.290 14 0 "[ . 1 . 2]"
1 29 THR 0.118 0.054 5 0 "[ . 1 . 2]"
1 30 ALA 6.678 0.459 17 0 "[ . 1 . 2]"
1 31 ALA 6.349 0.311 17 0 "[ . 1 . 2]"
1 32 GLU 0.415 0.134 17 0 "[ . 1 . 2]"
1 33 LYS 0.738 0.123 20 0 "[ . 1 . 2]"
1 34 ALA 0.131 0.066 8 0 "[ . 1 . 2]"
1 35 ASP 0.134 0.134 17 0 "[ . 1 . 2]"
1 36 GLU 1.979 0.262 3 0 "[ . 1 . 2]"
1 37 LEU 5.988 0.315 7 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 SER HA 1 1 SER QB 2.540 . 3.280 2.321 2.178 2.411 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER HA 1 2 PRO HD2 2.590 . 3.390 2.343 1.933 2.584 . 0 0 "[ . 1 . 2]" 1
3 1 1 SER HA 1 2 PRO HD3 2.630 . 3.460 2.205 1.952 2.614 . 0 0 "[ . 1 . 2]" 1
4 1 1 SER HA 1 3 GLU H 3.900 . 6.000 3.917 3.556 4.127 . 0 0 "[ . 1 . 2]" 1
5 1 1 SER QB 1 3 GLU H 3.490 . 5.190 4.091 3.429 4.699 . 0 0 "[ . 1 . 2]" 1
6 1 1 SER QB 1 4 GLU H 3.320 . 4.840 3.033 2.565 3.668 . 0 0 "[ . 1 . 2]" 1
7 1 1 SER QB 1 4 GLU QB 2.700 . 3.600 2.300 1.967 2.869 . 0 0 "[ . 1 . 2]" 1
8 1 2 PRO HA 1 2 PRO HB3 2.740 . 3.690 2.286 2.274 2.299 . 0 0 "[ . 1 . 2]" 1
9 1 2 PRO HA 1 2 PRO HG2 3.360 . 4.920 3.929 3.844 3.982 . 0 0 "[ . 1 . 2]" 1
10 1 2 PRO HA 1 3 GLU H 3.190 . 4.580 3.564 3.523 3.591 . 0 0 "[ . 1 . 2]" 1
11 1 2 PRO HA 1 5 ARG H 2.930 . 4.070 3.563 3.344 3.743 . 0 0 "[ . 1 . 2]" 1
12 1 2 PRO HA 1 5 ARG HB2 3.260 . 4.720 3.270 2.799 3.595 . 0 0 "[ . 1 . 2]" 1
13 1 2 PRO HA 1 5 ARG HB3 2.940 . 4.090 2.551 2.249 2.819 . 0 0 "[ . 1 . 2]" 1
14 1 2 PRO HA 1 6 ALA H 3.120 . 4.440 3.925 3.672 4.165 . 0 0 "[ . 1 . 2]" 1
15 1 2 PRO HA 1 34 ALA MB 3.730 . 5.660 5.152 4.324 5.692 0.032 18 0 "[ . 1 . 2]" 1
16 1 2 PRO HB2 1 2 PRO HD2 3.230 . 4.670 3.259 2.890 4.047 . 0 0 "[ . 1 . 2]" 1
17 1 2 PRO HB2 1 2 PRO HD3 3.350 . 4.900 3.882 3.858 3.910 . 0 0 "[ . 1 . 2]" 1
18 1 2 PRO HB2 1 3 GLU H 3.110 . 4.420 2.746 2.494 3.159 . 0 0 "[ . 1 . 2]" 1
19 1 2 PRO HB3 1 2 PRO HD2 3.640 . 5.480 3.874 3.852 3.893 . 0 0 "[ . 1 . 2]" 1
20 1 2 PRO HB3 1 2 PRO HD3 3.370 . 4.940 3.730 2.951 4.066 . 0 0 "[ . 1 . 2]" 1
21 1 2 PRO HD2 1 2 PRO HG2 2.760 . 3.730 2.315 2.296 2.332 . 0 0 "[ . 1 . 2]" 1
22 1 2 PRO HD2 1 2 PRO HG3 2.880 . 3.960 2.901 2.680 3.000 . 0 0 "[ . 1 . 2]" 1
23 1 2 PRO HD2 1 3 GLU H 3.110 . 4.420 2.674 2.457 3.019 . 0 0 "[ . 1 . 2]" 1
24 1 2 PRO HD3 1 2 PRO HG3 2.690 . 3.580 2.314 2.304 2.325 . 0 0 "[ . 1 . 2]" 1
25 1 2 PRO HD3 1 3 GLU H 3.900 . 6.000 3.959 3.805 4.081 . 0 0 "[ . 1 . 2]" 1
26 1 2 PRO HG2 1 3 GLU H 3.160 . 4.530 3.430 2.183 4.115 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLU H 1 3 GLU HA 2.890 . 3.990 2.828 2.794 2.844 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLU H 1 3 GLU HB2 2.860 . 3.930 2.606 2.278 3.608 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLU H 1 3 GLU HB3 2.730 . 3.660 2.946 2.499 3.620 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLU H 1 3 GLU HG2 3.630 . 5.470 3.636 2.033 4.622 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLU H 1 3 GLU HG3 3.720 . 5.650 3.830 1.960 4.552 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLU H 1 4 GLU H 2.880 . 3.970 2.654 2.558 2.762 . 0 0 "[ . 1 . 2]" 1
33 1 3 GLU HA 1 3 GLU HB2 2.710 . 3.620 2.676 2.436 3.026 . 0 0 "[ . 1 . 2]" 1
34 1 3 GLU HA 1 3 GLU HB3 2.720 . 3.650 2.765 2.381 3.026 . 0 0 "[ . 1 . 2]" 1
35 1 3 GLU HA 1 3 GLU HG2 2.970 . 4.150 3.145 2.452 3.782 . 0 0 "[ . 1 . 2]" 1
36 1 3 GLU HA 1 3 GLU HG3 3.130 . 4.470 3.113 2.481 3.764 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLU HA 1 4 GLU H 2.910 . 4.020 3.533 3.515 3.546 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLU HA 1 6 ALA MB 3.130 . 4.460 2.951 2.538 3.304 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLU HA 1 7 GLN H 3.120 . 4.450 4.352 4.068 4.547 0.097 12 0 "[ . 1 . 2]" 1
40 1 3 GLU HB2 1 4 GLU H 3.220 . 4.640 3.325 2.457 3.902 . 0 0 "[ . 1 . 2]" 1
41 1 3 GLU HB3 1 4 GLU H 3.060 . 4.320 3.025 2.435 3.991 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLU H 1 4 GLU HA 2.920 . 4.050 2.836 2.818 2.855 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLU H 1 4 GLU QB 2.680 . 3.570 2.420 2.274 2.529 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLU H 1 4 GLU HG2 3.250 . 4.710 3.097 2.084 3.901 . 0 0 "[ . 1 . 2]" 1
45 1 4 GLU H 1 4 GLU HG3 2.970 . 4.150 3.021 2.201 3.880 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLU H 1 5 ARG H 2.840 . 3.890 2.541 2.455 2.635 . 0 0 "[ . 1 . 2]" 1
47 1 4 GLU HA 1 4 GLU HG2 3.080 . 4.360 2.917 2.448 3.732 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLU HA 1 4 GLU HG3 2.890 . 3.980 3.232 2.491 3.792 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU HA 1 7 GLN QB 2.720 . 3.650 2.873 2.543 3.280 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLU HA 1 8 LEU H 3.080 . 4.370 3.960 3.635 4.322 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLU QB 1 5 ARG H 2.810 . 3.830 2.649 2.504 2.775 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLU QB 1 34 ALA MB 2.860 . 3.920 2.474 2.073 2.806 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG H 1 5 ARG HA 2.830 . 3.870 2.787 2.779 2.802 . 0 0 "[ . 1 . 2]" 1
54 1 5 ARG H 1 5 ARG HB2 2.700 . 3.600 2.410 2.253 2.500 . 0 0 "[ . 1 . 2]" 1
55 1 5 ARG H 1 5 ARG HB3 2.770 . 3.740 2.566 2.478 2.737 . 0 0 "[ . 1 . 2]" 1
56 1 5 ARG H 1 5 ARG HG2 3.230 . 4.670 4.442 4.406 4.485 . 0 0 "[ . 1 . 2]" 1
57 1 5 ARG H 1 5 ARG HG3 2.970 . 4.140 4.342 4.224 4.397 0.257 4 0 "[ . 1 . 2]" 1
58 1 5 ARG H 1 6 ALA H 2.770 . 3.750 2.699 2.643 2.755 . 0 0 "[ . 1 . 2]" 1
59 1 5 ARG HA 1 5 ARG HB2 2.690 . 3.580 2.492 2.439 2.595 . 0 0 "[ . 1 . 2]" 1
60 1 5 ARG HA 1 5 ARG HB3 2.850 . 3.900 3.017 3.010 3.023 . 0 0 "[ . 1 . 2]" 1
61 1 5 ARG HA 1 5 ARG HG2 3.370 . 4.940 2.987 2.776 3.132 . 0 0 "[ . 1 . 2]" 1
62 1 5 ARG HA 1 5 ARG HG3 2.970 . 4.150 2.550 2.451 2.646 . 0 0 "[ . 1 . 2]" 1
63 1 5 ARG HA 1 8 LEU H 3.000 . 4.210 3.633 3.431 3.879 . 0 0 "[ . 1 . 2]" 1
64 1 5 ARG HA 1 31 ALA MB 3.340 . 4.880 4.633 3.955 4.999 0.119 17 0 "[ . 1 . 2]" 1
65 1 5 ARG HA 1 34 ALA MB 2.870 . 3.950 1.982 1.812 2.171 . 0 0 "[ . 1 . 2]" 1
66 1 5 ARG HB2 1 5 ARG HE 3.900 . 6.000 3.636 2.108 4.430 . 0 0 "[ . 1 . 2]" 1
67 1 5 ARG HB2 1 6 ALA H 2.810 . 3.820 3.763 3.573 3.860 0.040 4 0 "[ . 1 . 2]" 1
68 1 5 ARG HB3 1 5 ARG HE 3.770 . 5.740 3.283 2.066 4.681 . 0 0 "[ . 1 . 2]" 1
69 1 5 ARG HB3 1 6 ALA H 2.840 . 3.880 2.487 2.371 2.641 . 0 0 "[ . 1 . 2]" 1
70 1 5 ARG HD2 1 5 ARG HE 2.900 . 4.010 2.652 2.274 2.950 . 0 0 "[ . 1 . 2]" 1
71 1 5 ARG HD3 1 5 ARG HE 2.960 . 4.130 2.832 2.411 2.951 . 0 0 "[ . 1 . 2]" 1
72 1 5 ARG HE 1 5 ARG HG2 3.210 . 4.630 2.903 2.413 3.843 . 0 0 "[ . 1 . 2]" 1
73 1 5 ARG HE 1 5 ARG HG3 3.150 . 4.510 3.129 2.512 3.638 . 0 0 "[ . 1 . 2]" 1
74 1 6 ALA H 1 6 ALA HA 2.590 . 3.380 2.801 2.793 2.815 . 0 0 "[ . 1 . 2]" 1
75 1 6 ALA H 1 6 ALA MB 2.600 . 3.400 2.229 2.217 2.239 . 0 0 "[ . 1 . 2]" 1
76 1 6 ALA H 1 7 GLN H 2.680 . 3.570 2.728 2.664 2.795 . 0 0 "[ . 1 . 2]" 1
77 1 6 ALA HA 1 9 LEU H 3.070 . 4.340 3.713 3.453 3.949 . 0 0 "[ . 1 . 2]" 1
78 1 6 ALA MB 1 9 LEU H 3.290 . 4.780 4.762 4.588 4.895 0.115 5 0 "[ . 1 . 2]" 1
79 1 7 GLN H 1 7 GLN HA 2.660 . 3.530 2.834 2.817 2.848 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLN H 1 7 GLN QB 2.550 . 3.310 2.335 2.092 2.543 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLN H 1 7 GLN HG2 3.290 . 4.780 3.489 2.151 4.600 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLN H 1 7 GLN HG3 3.060 . 4.320 3.714 2.175 4.480 0.160 3 0 "[ . 1 . 2]" 1
83 1 7 GLN H 1 8 LEU H 2.790 . 3.780 2.641 2.592 2.746 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLN HA 1 7 GLN HG2 3.030 . 4.270 3.120 2.593 3.782 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLN HA 1 7 GLN HG3 3.380 . 4.960 3.101 2.407 3.756 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLN HA 1 10 THR MG 2.960 . 4.130 3.966 3.783 4.139 0.009 1 0 "[ . 1 . 2]" 1
87 1 7 GLN HE21 1 7 GLN HG2 3.430 . 5.060 2.623 2.211 3.474 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLN HE21 1 7 GLN HG3 3.460 . 5.130 2.601 2.207 3.447 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLN HE22 1 7 GLN HG2 3.900 . 6.000 3.652 3.466 4.051 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLN HE22 1 7 GLN HG3 3.900 . 6.000 3.642 3.466 4.037 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU H 1 8 LEU HA 2.760 . 3.720 2.834 2.828 2.837 . 0 0 "[ . 1 . 2]" 1
92 1 8 LEU H 1 8 LEU HB2 2.840 . 3.880 2.357 2.275 2.422 . 0 0 "[ . 1 . 2]" 1
93 1 8 LEU H 1 8 LEU HB3 2.730 . 3.670 3.562 3.526 3.582 . 0 0 "[ . 1 . 2]" 1
94 1 8 LEU H 1 8 LEU MD1 2.980 . 4.160 3.470 3.218 3.650 . 0 0 "[ . 1 . 2]" 1
95 1 8 LEU H 1 8 LEU MD2 2.880 . 3.970 3.598 2.600 3.802 . 0 0 "[ . 1 . 2]" 1
96 1 8 LEU H 1 8 LEU HG 2.930 . 4.070 2.565 2.334 4.244 0.174 17 0 "[ . 1 . 2]" 1
97 1 8 LEU HA 1 8 LEU HB2 2.850 . 3.900 2.995 2.971 3.002 . 0 0 "[ . 1 . 2]" 1
98 1 8 LEU HA 1 8 LEU HB3 2.860 . 3.920 2.514 2.475 2.566 . 0 0 "[ . 1 . 2]" 1
99 1 8 LEU HA 1 8 LEU MD1 2.730 . 3.670 3.724 1.805 3.852 0.182 10 0 "[ . 1 . 2]" 1
100 1 8 LEU HA 1 8 LEU MD2 2.650 . 3.510 2.112 2.002 3.283 . 0 0 "[ . 1 . 2]" 1
101 1 8 LEU HA 1 8 LEU HG 3.100 . 4.410 2.889 2.752 3.447 . 0 0 "[ . 1 . 2]" 1
102 1 8 LEU HA 1 9 LEU H 3.150 . 4.500 3.541 3.518 3.562 . 0 0 "[ . 1 . 2]" 1
103 1 8 LEU HA 1 11 ALA MB 2.810 . 3.820 2.533 2.281 2.894 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU HA 1 12 ALA H 3.340 . 4.880 4.294 4.111 4.803 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU HB2 1 9 LEU H 3.230 . 4.670 2.787 2.626 2.900 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU HB3 1 9 LEU H 2.870 . 3.950 3.642 3.351 3.773 . 0 0 "[ . 1 . 2]" 1
107 1 8 LEU MD1 1 30 ALA HA 2.930 . 4.060 3.251 2.954 4.132 0.072 17 0 "[ . 1 . 2]" 1
108 1 8 LEU MD1 1 31 ALA H 3.410 . 5.030 4.089 3.705 4.322 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU MD1 1 31 ALA HA 2.760 . 3.730 3.502 2.943 4.041 0.311 17 0 "[ . 1 . 2]" 1
110 1 8 LEU MD2 1 30 ALA HA 2.720 . 3.640 3.937 3.871 4.099 0.459 17 0 "[ . 1 . 2]" 1
111 1 8 LEU MD2 1 31 ALA HA 3.300 . 4.800 4.491 3.581 4.841 0.041 5 0 "[ . 1 . 2]" 1
112 1 9 LEU H 1 9 LEU HA 2.920 . 4.050 2.809 2.796 2.825 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU H 1 9 LEU HB2 2.950 . 4.110 2.384 2.070 2.574 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU H 1 9 LEU HB3 2.830 . 3.860 2.733 2.341 3.510 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU H 1 9 LEU MD1 3.460 . 5.130 3.852 2.327 4.124 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU H 1 9 LEU MD2 3.320 . 4.840 4.058 2.397 4.359 . 0 0 "[ . 1 . 2]" 1
117 1 9 LEU H 1 9 LEU HG 2.860 . 3.920 4.042 2.851 4.325 0.405 4 0 "[ . 1 . 2]" 1
118 1 9 LEU H 1 10 THR H 2.750 . 3.700 2.646 2.603 2.715 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU HA 1 9 LEU HB2 2.910 . 4.030 2.581 2.380 2.969 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU HA 1 9 LEU HB3 2.850 . 3.910 2.900 2.609 2.999 . 0 0 "[ . 1 . 2]" 1
121 1 9 LEU HA 1 9 LEU MD1 2.660 . 3.530 2.455 2.003 3.761 0.231 12 0 "[ . 1 . 2]" 1
122 1 9 LEU HA 1 9 LEU MD2 2.700 . 3.610 3.458 2.115 3.863 0.253 9 0 "[ . 1 . 2]" 1
123 1 9 LEU HA 1 9 LEU HG 3.200 . 4.600 2.824 2.235 3.694 . 0 0 "[ . 1 . 2]" 1
124 1 9 LEU HA 1 12 ALA H 3.270 . 4.750 3.342 3.222 3.548 . 0 0 "[ . 1 . 2]" 1
125 1 9 LEU HA 1 12 ALA MB 2.790 . 3.790 2.679 2.502 3.073 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU HA 1 13 GLU H 3.390 . 4.990 4.462 4.163 4.932 . 0 0 "[ . 1 . 2]" 1
127 1 9 LEU HB2 1 31 ALA HA 3.400 . 5.010 3.859 3.184 5.041 0.031 17 0 "[ . 1 . 2]" 1
128 1 9 LEU HB3 1 31 ALA HA 3.670 . 5.550 5.147 4.636 5.806 0.256 13 0 "[ . 1 . 2]" 1
129 1 9 LEU MD1 1 31 ALA HA 2.790 . 3.780 3.751 2.238 4.006 0.226 14 0 "[ . 1 . 2]" 1
130 1 9 LEU MD2 1 31 ALA HA 3.660 . 5.520 4.889 2.157 5.601 0.081 10 0 "[ . 1 . 2]" 1
131 1 9 LEU HG 1 31 ALA HA 3.670 . 5.540 5.182 2.869 5.847 0.307 15 0 "[ . 1 . 2]" 1
132 1 10 THR H 1 10 THR HA 2.670 . 3.540 2.831 2.817 2.850 . 0 0 "[ . 1 . 2]" 1
133 1 10 THR H 1 10 THR HB 2.820 . 3.850 3.606 3.587 3.625 . 0 0 "[ . 1 . 2]" 1
134 1 10 THR H 1 10 THR MG 2.890 . 3.980 2.483 2.367 2.620 . 0 0 "[ . 1 . 2]" 1
135 1 10 THR HA 1 10 THR MG 2.600 . 3.400 2.267 2.246 2.303 . 0 0 "[ . 1 . 2]" 1
136 1 10 THR HB 1 13 GLU QB 2.950 . 4.100 4.100 3.886 4.225 0.125 14 0 "[ . 1 . 2]" 1
137 1 11 ALA H 1 11 ALA HA 2.900 . 4.010 2.817 2.803 2.827 . 0 0 "[ . 1 . 2]" 1
138 1 11 ALA H 1 11 ALA MB 2.570 . 3.340 2.216 2.204 2.229 . 0 0 "[ . 1 . 2]" 1
139 1 11 ALA H 1 12 ALA H 2.940 . 4.090 2.627 2.583 2.661 . 0 0 "[ . 1 . 2]" 1
140 1 11 ALA HA 1 12 ALA H 3.290 . 4.790 3.517 3.503 3.526 . 0 0 "[ . 1 . 2]" 1
141 1 11 ALA HA 1 14 LYS HB2 2.650 . 3.500 2.750 2.263 3.503 0.003 5 0 "[ . 1 . 2]" 1
142 1 11 ALA HA 1 14 LYS HB3 2.810 . 3.830 3.306 2.194 3.980 0.150 18 0 "[ . 1 . 2]" 1
143 1 11 ALA HA 1 15 ALA H 3.240 . 4.690 3.927 3.700 4.276 . 0 0 "[ . 1 . 2]" 1
144 1 11 ALA HA 1 27 LEU MD1 2.910 . 4.030 3.429 3.228 4.253 0.223 3 0 "[ . 1 . 2]" 1
145 1 11 ALA HA 1 27 LEU MD2 2.750 . 3.710 3.935 3.314 4.016 0.306 13 0 "[ . 1 . 2]" 1
146 1 11 ALA MB 1 12 ALA H 2.890 . 3.990 2.552 2.454 2.630 . 0 0 "[ . 1 . 2]" 1
147 1 12 ALA H 1 12 ALA HA 2.890 . 3.980 2.820 2.811 2.829 . 0 0 "[ . 1 . 2]" 1
148 1 12 ALA H 1 12 ALA MB 2.660 . 3.520 2.204 2.176 2.225 . 0 0 "[ . 1 . 2]" 1
149 1 12 ALA H 1 13 GLU H 3.070 . 4.340 2.658 2.632 2.707 . 0 0 "[ . 1 . 2]" 1
150 1 12 ALA H 1 27 LEU MD1 3.410 . 5.020 3.781 3.550 4.249 . 0 0 "[ . 1 . 2]" 1
151 1 12 ALA HA 1 13 GLU H 3.230 . 4.670 3.534 3.518 3.563 . 0 0 "[ . 1 . 2]" 1
152 1 12 ALA HA 1 15 ALA H 3.270 . 4.740 3.662 3.419 3.820 . 0 0 "[ . 1 . 2]" 1
153 1 12 ALA HA 1 15 ALA MB 2.800 . 3.800 2.943 2.634 3.188 . 0 0 "[ . 1 . 2]" 1
154 1 12 ALA HA 1 16 ASP H 3.340 . 4.890 4.374 3.935 4.646 . 0 0 "[ . 1 . 2]" 1
155 1 12 ALA HA 1 27 LEU MD1 2.710 . 3.630 3.016 2.715 3.703 0.073 3 0 "[ . 1 . 2]" 1
156 1 12 ALA HA 1 27 LEU MD2 3.410 . 5.030 4.112 2.672 4.527 . 0 0 "[ . 1 . 2]" 1
157 1 12 ALA HA 1 28 LEU HB2 3.670 . 5.550 5.264 5.006 5.442 . 0 0 "[ . 1 . 2]" 1
158 1 12 ALA HA 1 28 LEU HB3 3.800 . 5.800 5.937 5.762 6.090 0.290 14 0 "[ . 1 . 2]" 1
159 1 12 ALA HA 1 28 LEU MD1 3.080 . 4.360 4.304 2.256 4.621 0.261 3 0 "[ . 1 . 2]" 1
160 1 12 ALA HA 1 28 LEU MD2 3.410 . 5.030 4.118 3.847 5.046 0.016 1 0 "[ . 1 . 2]" 1
161 1 12 ALA HA 1 28 LEU HG 3.010 . 4.230 3.384 3.227 4.365 0.135 4 0 "[ . 1 . 2]" 1
162 1 12 ALA MB 1 13 GLU H 2.740 . 3.690 2.437 2.380 2.513 . 0 0 "[ . 1 . 2]" 1
163 1 12 ALA MB 1 24 ARG HA 3.390 . 4.980 4.294 3.926 5.002 0.022 4 0 "[ . 1 . 2]" 1
164 1 13 GLU H 1 13 GLU HA 2.710 . 3.630 2.833 2.817 2.845 . 0 0 "[ . 1 . 2]" 1
165 1 13 GLU H 1 13 GLU QB 2.730 . 3.670 2.317 2.185 2.509 . 0 0 "[ . 1 . 2]" 1
166 1 13 GLU H 1 13 GLU QG 2.970 . 4.150 3.233 2.021 4.050 . 0 0 "[ . 1 . 2]" 1
167 1 13 GLU HA 1 13 GLU QB 2.590 . 3.380 2.366 2.315 2.492 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLU HA 1 13 GLU QG 3.120 . 4.440 2.621 2.313 3.019 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLU HA 1 16 ASP HB2 2.950 . 4.100 3.405 2.400 3.689 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLU HA 1 16 ASP HB3 2.850 . 3.910 2.902 2.313 3.963 0.053 17 0 "[ . 1 . 2]" 1
171 1 13 GLU HA 1 17 GLU H 3.080 . 4.360 4.227 3.897 4.426 0.066 14 0 "[ . 1 . 2]" 1
172 1 14 LYS H 1 14 LYS HA 2.710 . 3.620 2.820 2.809 2.835 . 0 0 "[ . 1 . 2]" 1
173 1 14 LYS H 1 14 LYS HB2 2.730 . 3.670 2.423 2.172 2.590 . 0 0 "[ . 1 . 2]" 1
174 1 14 LYS H 1 14 LYS HB3 2.910 . 4.030 3.102 2.472 3.590 . 0 0 "[ . 1 . 2]" 1
175 1 14 LYS H 1 14 LYS HG3 3.130 . 4.460 3.478 2.282 4.472 0.012 12 0 "[ . 1 . 2]" 1
176 1 14 LYS HA 1 14 LYS HB2 2.760 . 3.730 2.765 2.445 3.018 . 0 0 "[ . 1 . 2]" 1
177 1 14 LYS HA 1 14 LYS HB3 2.780 . 3.770 2.765 2.494 3.028 . 0 0 "[ . 1 . 2]" 1
178 1 14 LYS HA 1 14 LYS QD 3.240 . 4.690 3.536 1.930 4.207 . 0 0 "[ . 1 . 2]" 1
179 1 14 LYS HA 1 14 LYS QE 3.220 . 4.650 4.370 2.776 4.841 0.191 16 0 "[ . 1 . 2]" 1
180 1 14 LYS HA 1 14 LYS HG3 3.370 . 4.950 2.879 2.432 3.682 . 0 0 "[ . 1 . 2]" 1
181 1 14 LYS HA 1 17 GLU HB2 2.750 . 3.700 2.903 2.313 3.615 . 0 0 "[ . 1 . 2]" 1
182 1 14 LYS HA 1 17 GLU HB3 2.810 . 3.820 3.219 2.509 3.998 0.178 8 0 "[ . 1 . 2]" 1
183 1 14 LYS HB2 1 15 ALA H 3.180 . 4.560 3.209 2.568 3.978 . 0 0 "[ . 1 . 2]" 1
184 1 14 LYS HB3 1 15 ALA H 3.280 . 4.760 3.097 2.469 3.671 . 0 0 "[ . 1 . 2]" 1
185 1 15 ALA H 1 15 ALA HA 2.810 . 3.820 2.819 2.804 2.837 . 0 0 "[ . 1 . 2]" 1
186 1 15 ALA H 1 15 ALA MB 2.800 . 3.800 2.232 2.194 2.239 . 0 0 "[ . 1 . 2]" 1
187 1 15 ALA HA 1 18 LEU HB3 2.940 . 4.090 3.878 2.822 4.170 0.080 9 0 "[ . 1 . 2]" 1
188 1 15 ALA MB 1 16 ASP H 2.710 . 3.620 2.601 2.472 2.658 . 0 0 "[ . 1 . 2]" 1
189 1 15 ALA MB 1 21 PRO HA 3.860 . 5.920 5.117 4.698 5.933 0.013 19 0 "[ . 1 . 2]" 1
190 1 15 ALA MB 1 23 GLU QB 2.850 . 3.910 2.635 2.161 3.347 . 0 0 "[ . 1 . 2]" 1
191 1 15 ALA MB 1 24 ARG HA 2.890 . 3.980 2.069 1.781 2.320 0.019 4 0 "[ . 1 . 2]" 1
192 1 16 ASP H 1 16 ASP HA 2.760 . 3.720 2.828 2.804 2.843 . 0 0 "[ . 1 . 2]" 1
193 1 16 ASP H 1 16 ASP HB2 2.800 . 3.810 2.530 2.174 2.647 . 0 0 "[ . 1 . 2]" 1
194 1 16 ASP H 1 16 ASP HB3 2.730 . 3.670 2.557 2.406 3.485 . 0 0 "[ . 1 . 2]" 1
195 1 16 ASP HA 1 18 LEU H 3.900 . 6.000 4.147 3.854 4.372 . 0 0 "[ . 1 . 2]" 1
196 1 16 ASP HB2 1 17 GLU H 2.750 . 3.700 3.742 2.740 3.888 0.188 20 0 "[ . 1 . 2]" 1
197 1 16 ASP HB3 1 17 GLU H 2.750 . 3.700 2.538 2.431 3.154 . 0 0 "[ . 1 . 2]" 1
198 1 17 GLU H 1 17 GLU HA 2.640 . 3.490 2.801 2.778 2.826 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLU H 1 17 GLU HB2 2.840 . 3.890 2.407 2.273 2.509 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLU H 1 17 GLU HB3 2.930 . 4.070 2.937 2.380 3.585 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLU H 1 17 GLU HG2 3.210 . 4.620 3.873 2.206 4.544 . 0 0 "[ . 1 . 2]" 1
202 1 17 GLU H 1 17 GLU HG3 2.930 . 4.070 3.706 2.199 4.372 0.302 11 0 "[ . 1 . 2]" 1
203 1 17 GLU HA 1 17 GLU HB2 2.810 . 3.830 2.695 2.432 3.023 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLU HA 1 17 GLU HB3 2.730 . 3.660 2.817 2.484 3.023 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLU HA 1 17 GLU HG2 3.070 . 4.350 2.999 2.461 3.794 . 0 0 "[ . 1 . 2]" 1
206 1 17 GLU HA 1 17 GLU HG3 3.090 . 4.380 2.912 2.456 3.765 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLU HA 1 18 LEU H 2.780 . 3.770 3.501 3.442 3.524 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLU HB2 1 18 LEU H 2.960 . 4.120 3.475 2.762 4.011 . 0 0 "[ . 1 . 2]" 1
209 1 17 GLU HB3 1 18 LEU H 3.050 . 4.310 3.150 2.678 3.940 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU H 1 18 LEU HA 2.820 . 3.840 2.887 2.873 2.916 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU H 1 18 LEU HB2 2.750 . 3.700 2.419 2.181 2.698 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU H 1 18 LEU HB3 2.680 . 3.560 3.349 2.449 3.601 0.041 18 0 "[ . 1 . 2]" 1
213 1 18 LEU H 1 18 LEU MD1 3.250 . 4.710 3.663 2.506 4.182 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU H 1 18 LEU MD2 3.330 . 4.860 3.595 2.613 4.281 . 0 0 "[ . 1 . 2]" 1
215 1 18 LEU H 1 18 LEU HG 3.070 . 4.350 3.201 2.371 4.486 0.136 1 0 "[ . 1 . 2]" 1
216 1 18 LEU HA 1 18 LEU HB3 2.920 . 4.050 2.615 2.437 3.011 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU HA 1 18 LEU MD1 2.680 . 3.570 3.156 1.953 3.809 0.239 4 0 "[ . 1 . 2]" 1
218 1 18 LEU HA 1 18 LEU MD2 2.650 . 3.510 2.631 1.963 3.810 0.300 19 0 "[ . 1 . 2]" 1
219 1 18 LEU HA 1 18 LEU HG 2.840 . 3.880 3.073 2.375 3.683 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU MD1 1 20 CYS H 3.420 . 5.040 4.916 4.509 5.173 0.133 6 0 "[ . 1 . 2]" 1
221 1 18 LEU MD2 1 20 CYS H 3.680 . 5.560 5.293 4.364 5.607 0.047 3 0 "[ . 1 . 2]" 1
222 1 20 CYS H 1 20 CYS HA 3.000 . 4.210 2.843 2.290 2.947 . 0 0 "[ . 1 . 2]" 1
223 1 20 CYS H 1 20 CYS HB2 2.800 . 3.810 2.958 2.471 3.699 . 0 0 "[ . 1 . 2]" 1
224 1 20 CYS H 1 20 CYS HB3 3.000 . 4.210 3.449 2.513 3.945 . 0 0 "[ . 1 . 2]" 1
225 1 20 CYS HA 1 21 PRO HD2 2.560 . 3.330 2.251 1.939 2.572 . 0 0 "[ . 1 . 2]" 1
226 1 21 PRO HA 1 21 PRO HB3 2.610 . 3.430 2.282 2.265 2.298 . 0 0 "[ . 1 . 2]" 1
227 1 21 PRO HA 1 21 PRO HG2 3.320 . 4.840 3.909 3.847 3.988 . 0 0 "[ . 1 . 2]" 1
228 1 21 PRO HA 1 22 GLU H 3.040 . 4.290 3.567 3.544 3.604 . 0 0 "[ . 1 . 2]" 1
229 1 21 PRO HA 1 24 ARG HB2 3.230 . 4.660 3.497 2.940 4.767 0.107 20 0 "[ . 1 . 2]" 1
230 1 21 PRO HA 1 24 ARG HB3 2.860 . 3.920 2.734 2.219 3.986 0.066 20 0 "[ . 1 . 2]" 1
231 1 21 PRO HA 1 25 ALA H 3.310 . 4.820 4.041 3.751 4.518 . 0 0 "[ . 1 . 2]" 1
232 1 21 PRO HB2 1 21 PRO HD2 3.170 . 4.540 3.488 2.907 4.056 . 0 0 "[ . 1 . 2]" 1
233 1 21 PRO HB2 1 21 PRO HD3 3.500 . 5.200 3.887 3.860 3.919 . 0 0 "[ . 1 . 2]" 1
234 1 21 PRO HB2 1 22 GLU H 3.280 . 4.770 2.848 2.542 3.172 . 0 0 "[ . 1 . 2]" 1
235 1 21 PRO HB3 1 21 PRO HD2 3.400 . 5.010 3.878 3.859 3.898 . 0 0 "[ . 1 . 2]" 1
236 1 21 PRO HB3 1 21 PRO HD3 3.450 . 5.100 3.511 2.939 4.064 . 0 0 "[ . 1 . 2]" 1
237 1 21 PRO HD2 1 21 PRO HG2 2.830 . 3.870 2.313 2.298 2.330 . 0 0 "[ . 1 . 2]" 1
238 1 21 PRO HD2 1 21 PRO HG3 2.760 . 3.730 2.839 2.663 2.997 . 0 0 "[ . 1 . 2]" 1
239 1 21 PRO HD2 1 22 GLU H 3.400 . 5.000 2.768 2.415 3.242 . 0 0 "[ . 1 . 2]" 1
240 1 21 PRO HD3 1 21 PRO HG3 2.740 . 3.680 2.314 2.306 2.322 . 0 0 "[ . 1 . 2]" 1
241 1 22 GLU H 1 22 GLU QB 2.550 . 3.300 2.329 2.228 2.509 . 0 0 "[ . 1 . 2]" 1
242 1 22 GLU H 1 22 GLU QG 3.180 . 4.560 3.425 2.097 4.060 . 0 0 "[ . 1 . 2]" 1
243 1 22 GLU H 1 23 GLU H 3.050 . 4.310 2.630 2.525 2.730 . 0 0 "[ . 1 . 2]" 1
244 1 22 GLU HA 1 22 GLU QB 2.560 . 3.330 2.360 2.328 2.401 . 0 0 "[ . 1 . 2]" 1
245 1 22 GLU HA 1 22 GLU QG 3.100 . 4.410 2.580 2.339 3.117 . 0 0 "[ . 1 . 2]" 1
246 1 22 GLU HA 1 25 ALA MB 2.830 . 3.870 3.009 2.629 3.508 . 0 0 "[ . 1 . 2]" 1
247 1 23 GLU H 1 23 GLU QB 2.650 . 3.510 2.362 2.234 2.504 . 0 0 "[ . 1 . 2]" 1
248 1 23 GLU H 1 23 GLU QG 3.080 . 4.370 2.853 2.226 4.042 . 0 0 "[ . 1 . 2]" 1
249 1 23 GLU H 1 24 ARG H 2.910 . 4.020 2.534 2.448 2.615 . 0 0 "[ . 1 . 2]" 1
250 1 23 GLU HA 1 23 GLU QG 3.070 . 4.340 2.419 2.322 2.909 . 0 0 "[ . 1 . 2]" 1
251 1 23 GLU HA 1 26 GLN QB 2.690 . 3.590 2.856 2.241 3.185 . 0 0 "[ . 1 . 2]" 1
252 1 23 GLU HA 1 27 LEU H 3.230 . 4.670 4.034 3.798 4.248 . 0 0 "[ . 1 . 2]" 1
253 1 24 ARG H 1 24 ARG HA 2.610 . 3.420 2.797 2.787 2.816 . 0 0 "[ . 1 . 2]" 1
254 1 24 ARG H 1 24 ARG HB2 2.740 . 3.680 2.576 2.360 3.623 . 0 0 "[ . 1 . 2]" 1
255 1 24 ARG H 1 24 ARG HB3 2.870 . 3.940 2.553 2.459 2.655 . 0 0 "[ . 1 . 2]" 1
256 1 24 ARG H 1 24 ARG HG2 3.150 . 4.500 4.246 2.354 4.500 0.000 18 0 "[ . 1 . 2]" 1
257 1 24 ARG H 1 24 ARG HG3 3.080 . 4.370 4.326 3.540 4.455 0.085 11 0 "[ . 1 . 2]" 1
258 1 24 ARG HA 1 24 ARG HB2 2.660 . 3.530 2.470 2.392 2.531 . 0 0 "[ . 1 . 2]" 1
259 1 24 ARG HA 1 24 ARG HB3 2.880 . 3.960 2.969 2.484 3.027 . 0 0 "[ . 1 . 2]" 1
260 1 24 ARG HA 1 24 ARG HG2 3.330 . 4.860 3.079 2.786 3.826 . 0 0 "[ . 1 . 2]" 1
261 1 24 ARG HA 1 24 ARG HG3 2.960 . 4.130 2.727 2.534 3.758 . 0 0 "[ . 1 . 2]" 1
262 1 24 ARG HA 1 27 LEU H 2.940 . 4.080 3.514 3.297 3.727 . 0 0 "[ . 1 . 2]" 1
263 1 24 ARG HB2 1 24 ARG HE 3.900 . 6.000 3.748 2.652 4.471 . 0 0 "[ . 1 . 2]" 1
264 1 24 ARG HB3 1 24 ARG HE 3.750 . 5.710 3.262 2.077 4.666 . 0 0 "[ . 1 . 2]" 1
265 1 24 ARG HB3 1 25 ALA H 2.930 . 4.060 2.664 2.468 3.958 . 0 0 "[ . 1 . 2]" 1
266 1 24 ARG HD2 1 24 ARG HE 2.920 . 4.050 2.729 2.321 2.954 . 0 0 "[ . 1 . 2]" 1
267 1 24 ARG HE 1 24 ARG HG2 3.200 . 4.610 2.772 2.455 3.753 . 0 0 "[ . 1 . 2]" 1
268 1 24 ARG HE 1 24 ARG HG3 3.130 . 4.470 3.078 2.415 3.716 . 0 0 "[ . 1 . 2]" 1
269 1 25 ALA H 1 25 ALA HA 2.870 . 3.940 2.804 2.790 2.838 . 0 0 "[ . 1 . 2]" 1
270 1 25 ALA H 1 25 ALA MB 2.650 . 3.510 2.228 2.218 2.236 . 0 0 "[ . 1 . 2]" 1
271 1 25 ALA HA 1 28 LEU H 3.350 . 4.900 3.570 3.275 3.940 . 0 0 "[ . 1 . 2]" 1
272 1 25 ALA HA 1 29 THR H 3.230 . 4.660 4.128 3.841 4.461 . 0 0 "[ . 1 . 2]" 1
273 1 25 ALA MB 1 26 GLN H 2.770 . 3.750 2.506 2.461 2.579 . 0 0 "[ . 1 . 2]" 1
274 1 25 ALA MB 1 28 LEU H 3.290 . 4.780 4.650 4.447 4.929 0.149 1 0 "[ . 1 . 2]" 1
275 1 26 GLN H 1 26 GLN HA 2.750 . 3.710 2.832 2.801 2.860 . 0 0 "[ . 1 . 2]" 1
276 1 26 GLN H 1 26 GLN QB 2.720 . 3.650 2.346 2.067 2.641 . 0 0 "[ . 1 . 2]" 1
277 1 26 GLN H 1 26 GLN HG2 3.390 . 4.990 3.693 1.963 4.602 . 0 0 "[ . 1 . 2]" 1
278 1 26 GLN H 1 26 GLN HG3 3.020 . 4.250 3.311 2.093 4.423 0.173 18 0 "[ . 1 . 2]" 1
279 1 26 GLN H 1 27 LEU H 2.860 . 3.920 2.590 2.504 2.670 . 0 0 "[ . 1 . 2]" 1
280 1 26 GLN HA 1 26 GLN HG2 2.910 . 4.030 3.047 2.431 3.836 . 0 0 "[ . 1 . 2]" 1
281 1 26 GLN HA 1 26 GLN HG3 3.300 . 4.800 3.161 2.578 3.842 . 0 0 "[ . 1 . 2]" 1
282 1 26 GLN HA 1 27 LEU H 2.830 . 3.870 3.526 3.498 3.547 . 0 0 "[ . 1 . 2]" 1
283 1 26 GLN HA 1 29 THR MG 2.970 . 4.150 4.019 3.669 4.204 0.054 5 0 "[ . 1 . 2]" 1
284 1 26 GLN HA 1 30 ALA H 3.140 . 4.490 4.329 4.027 4.550 0.060 3 0 "[ . 1 . 2]" 1
285 1 26 GLN QB 1 27 LEU H 2.760 . 3.720 2.548 2.474 2.640 . 0 0 "[ . 1 . 2]" 1
286 1 26 GLN HE21 1 26 GLN HG2 3.460 . 5.120 2.592 2.192 3.455 . 0 0 "[ . 1 . 2]" 1
287 1 26 GLN HE21 1 26 GLN HG3 3.370 . 4.940 2.633 2.214 3.479 . 0 0 "[ . 1 . 2]" 1
288 1 26 GLN HE22 1 26 GLN HG2 3.900 . 6.000 3.638 3.459 4.048 . 0 0 "[ . 1 . 2]" 1
289 1 26 GLN HE22 1 26 GLN HG3 3.900 . 6.000 3.659 3.472 4.057 . 0 0 "[ . 1 . 2]" 1
290 1 27 LEU H 1 27 LEU HA 2.820 . 3.850 2.829 2.816 2.843 . 0 0 "[ . 1 . 2]" 1
291 1 27 LEU H 1 27 LEU HB2 2.710 . 3.620 2.333 2.284 2.409 . 0 0 "[ . 1 . 2]" 1
292 1 27 LEU H 1 27 LEU HB3 2.660 . 3.520 3.490 2.404 3.555 0.035 11 0 "[ . 1 . 2]" 1
293 1 27 LEU H 1 27 LEU MD1 3.190 . 4.580 3.456 3.296 4.046 . 0 0 "[ . 1 . 2]" 1
294 1 27 LEU H 1 27 LEU MD2 3.400 . 5.000 3.725 3.568 4.088 . 0 0 "[ . 1 . 2]" 1
295 1 27 LEU H 1 27 LEU HG 3.000 . 4.210 2.596 2.377 4.422 0.212 3 0 "[ . 1 . 2]" 1
296 1 27 LEU H 1 28 LEU H 2.840 . 3.880 2.578 2.475 2.670 . 0 0 "[ . 1 . 2]" 1
297 1 27 LEU HA 1 27 LEU HB2 2.910 . 4.030 2.961 2.460 2.994 . 0 0 "[ . 1 . 2]" 1
298 1 27 LEU HA 1 27 LEU HB3 2.870 . 3.940 2.538 2.483 3.006 . 0 0 "[ . 1 . 2]" 1
299 1 27 LEU HA 1 27 LEU MD1 2.640 . 3.490 3.711 2.046 3.824 0.334 10 0 "[ . 1 . 2]" 1
300 1 27 LEU HA 1 27 LEU MD2 2.690 . 3.590 2.118 1.958 3.695 0.105 3 0 "[ . 1 . 2]" 1
301 1 27 LEU HA 1 27 LEU HG 3.310 . 4.820 2.823 2.748 3.355 . 0 0 "[ . 1 . 2]" 1
302 1 27 LEU HA 1 28 LEU H 2.970 . 4.140 3.526 3.501 3.570 . 0 0 "[ . 1 . 2]" 1
303 1 27 LEU HA 1 30 ALA MB 2.760 . 3.720 2.493 2.291 2.705 . 0 0 "[ . 1 . 2]" 1
304 1 27 LEU HA 1 31 ALA H 3.330 . 4.860 4.156 3.926 4.576 . 0 0 "[ . 1 . 2]" 1
305 1 27 LEU HB2 1 28 LEU H 3.160 . 4.520 2.842 2.681 3.915 . 0 0 "[ . 1 . 2]" 1
306 1 27 LEU HB3 1 28 LEU H 2.940 . 4.080 3.595 2.729 3.707 . 0 0 "[ . 1 . 2]" 1
307 1 28 LEU H 1 28 LEU HA 2.940 . 4.090 2.820 2.808 2.833 . 0 0 "[ . 1 . 2]" 1
308 1 28 LEU H 1 28 LEU HB2 2.960 . 4.130 2.265 2.179 2.324 . 0 0 "[ . 1 . 2]" 1
309 1 28 LEU H 1 28 LEU HB3 2.770 . 3.750 3.529 3.480 3.548 . 0 0 "[ . 1 . 2]" 1
310 1 28 LEU H 1 28 LEU MD1 3.290 . 4.780 3.385 2.384 3.613 . 0 0 "[ . 1 . 2]" 1
311 1 28 LEU H 1 28 LEU MD2 3.300 . 4.810 3.896 3.795 4.018 . 0 0 "[ . 1 . 2]" 1
312 1 28 LEU H 1 28 LEU HG 2.840 . 3.890 2.875 2.592 3.997 0.107 4 0 "[ . 1 . 2]" 1
313 1 28 LEU H 1 29 THR H 2.920 . 4.050 2.623 2.551 2.744 . 0 0 "[ . 1 . 2]" 1
314 1 28 LEU HA 1 28 LEU HB2 2.830 . 3.870 2.978 2.954 2.991 . 0 0 "[ . 1 . 2]" 1
315 1 28 LEU HA 1 28 LEU HB3 2.830 . 3.860 2.590 2.535 2.683 . 0 0 "[ . 1 . 2]" 1
316 1 28 LEU HA 1 28 LEU MD1 2.660 . 3.530 3.660 2.483 3.806 0.276 12 0 "[ . 1 . 2]" 1
317 1 28 LEU HA 1 28 LEU MD2 2.720 . 3.640 2.236 2.013 3.734 0.094 1 0 "[ . 1 . 2]" 1
318 1 28 LEU HA 1 28 LEU HG 2.970 . 4.140 2.666 2.366 2.766 . 0 0 "[ . 1 . 2]" 1
319 1 28 LEU HA 1 31 ALA H 3.230 . 4.670 3.224 3.025 3.438 . 0 0 "[ . 1 . 2]" 1
320 1 28 LEU HA 1 31 ALA MB 3.030 . 4.260 2.502 2.223 2.957 . 0 0 "[ . 1 . 2]" 1
321 1 28 LEU HA 1 32 GLU H 3.420 . 5.040 4.311 3.905 5.034 . 0 0 "[ . 1 . 2]" 1
322 1 29 THR H 1 29 THR HA 2.740 . 3.680 2.828 2.811 2.844 . 0 0 "[ . 1 . 2]" 1
323 1 29 THR H 1 29 THR HB 2.800 . 3.810 2.977 2.524 3.602 . 0 0 "[ . 1 . 2]" 1
324 1 29 THR H 1 29 THR MG 2.960 . 4.130 3.270 2.398 3.771 . 0 0 "[ . 1 . 2]" 1
325 1 29 THR HA 1 29 THR MG 2.550 . 3.310 2.330 2.231 2.404 . 0 0 "[ . 1 . 2]" 1
326 1 29 THR HA 1 30 ALA H 2.770 . 3.740 3.511 3.473 3.540 . 0 0 "[ . 1 . 2]" 1
327 1 29 THR HB 1 30 ALA H 3.000 . 4.210 3.019 2.471 3.693 . 0 0 "[ . 1 . 2]" 1
328 1 30 ALA H 1 30 ALA HA 2.730 . 3.660 2.824 2.811 2.841 . 0 0 "[ . 1 . 2]" 1
329 1 30 ALA H 1 30 ALA MB 2.630 . 3.470 2.203 2.185 2.219 . 0 0 "[ . 1 . 2]" 1
330 1 30 ALA H 1 31 ALA H 2.980 . 4.170 2.613 2.551 2.670 . 0 0 "[ . 1 . 2]" 1
331 1 30 ALA HA 1 31 ALA H 3.330 . 4.860 3.522 3.495 3.541 . 0 0 "[ . 1 . 2]" 1
332 1 30 ALA HA 1 33 LYS HB2 2.830 . 3.860 2.914 2.221 3.794 . 0 0 "[ . 1 . 2]" 1
333 1 30 ALA HA 1 33 LYS HB3 2.800 . 3.800 3.024 2.365 3.923 0.123 20 0 "[ . 1 . 2]" 1
334 1 30 ALA HA 1 34 ALA H 3.180 . 4.560 3.863 3.713 4.028 . 0 0 "[ . 1 . 2]" 1
335 1 30 ALA MB 1 31 ALA H 2.890 . 3.990 2.558 2.474 2.671 . 0 0 "[ . 1 . 2]" 1
336 1 31 ALA H 1 31 ALA HA 2.910 . 4.020 2.808 2.802 2.817 . 0 0 "[ . 1 . 2]" 1
337 1 31 ALA H 1 31 ALA MB 2.660 . 3.520 2.206 2.172 2.225 . 0 0 "[ . 1 . 2]" 1
338 1 31 ALA H 1 32 GLU H 3.100 . 4.410 2.696 2.653 2.766 . 0 0 "[ . 1 . 2]" 1
339 1 31 ALA HA 1 32 GLU H 2.970 . 4.150 3.539 3.522 3.571 . 0 0 "[ . 1 . 2]" 1
340 1 31 ALA HA 1 34 ALA H 3.230 . 4.670 3.817 3.559 4.096 . 0 0 "[ . 1 . 2]" 1
341 1 31 ALA HA 1 34 ALA MB 2.810 . 3.820 3.082 2.730 3.495 . 0 0 "[ . 1 . 2]" 1
342 1 31 ALA MB 1 32 GLU H 2.810 . 3.820 2.431 2.366 2.551 . 0 0 "[ . 1 . 2]" 1
343 1 32 GLU H 1 32 GLU QB 2.690 . 3.590 2.322 2.155 2.523 . 0 0 "[ . 1 . 2]" 1
344 1 32 GLU H 1 32 GLU QG 3.370 . 4.940 3.032 1.997 4.040 . 0 0 "[ . 1 . 2]" 1
345 1 32 GLU HA 1 32 GLU QB 2.550 . 3.300 2.384 2.322 2.499 . 0 0 "[ . 1 . 2]" 1
346 1 32 GLU HA 1 32 GLU QG 2.820 . 3.850 2.670 2.345 3.043 . 0 0 "[ . 1 . 2]" 1
347 1 32 GLU HA 1 35 ASP HB2 2.970 . 4.140 3.392 2.620 3.751 . 0 0 "[ . 1 . 2]" 1
348 1 32 GLU HA 1 35 ASP HB3 2.910 . 4.030 2.820 2.115 4.164 0.134 17 0 "[ . 1 . 2]" 1
349 1 32 GLU HA 1 36 GLU H 3.140 . 4.480 4.278 3.845 4.555 0.075 18 0 "[ . 1 . 2]" 1
350 1 33 LYS H 1 33 LYS HA 2.850 . 3.910 2.815 2.769 2.849 . 0 0 "[ . 1 . 2]" 1
351 1 33 LYS H 1 33 LYS HB2 2.790 . 3.790 2.455 2.324 2.602 . 0 0 "[ . 1 . 2]" 1
352 1 33 LYS H 1 33 LYS HB3 2.900 . 4.000 2.921 2.488 3.604 . 0 0 "[ . 1 . 2]" 1
353 1 33 LYS H 1 33 LYS QG 3.090 . 4.390 3.440 2.234 4.056 . 0 0 "[ . 1 . 2]" 1
354 1 33 LYS HA 1 33 LYS HB2 2.790 . 3.780 2.665 2.430 3.023 . 0 0 "[ . 1 . 2]" 1
355 1 33 LYS HA 1 33 LYS HB3 2.670 . 3.550 2.858 2.483 3.025 . 0 0 "[ . 1 . 2]" 1
356 1 33 LYS HA 1 33 LYS QG 3.060 . 4.320 2.552 2.354 3.056 . 0 0 "[ . 1 . 2]" 1
357 1 33 LYS HA 1 36 GLU QB 2.800 . 3.810 2.786 2.161 3.879 0.069 18 0 "[ . 1 . 2]" 1
358 1 33 LYS HA 1 37 LEU H 3.150 . 4.500 4.340 4.120 4.547 0.047 6 0 "[ . 1 . 2]" 1
359 1 33 LYS HB2 1 34 ALA H 3.180 . 4.560 3.402 2.387 3.963 . 0 0 "[ . 1 . 2]" 1
360 1 33 LYS HB3 1 34 ALA H 3.260 . 4.720 2.867 2.223 3.616 . 0 0 "[ . 1 . 2]" 1
361 1 34 ALA H 1 34 ALA HA 2.660 . 3.530 2.811 2.792 2.837 . 0 0 "[ . 1 . 2]" 1
362 1 34 ALA H 1 34 ALA MB 2.680 . 3.570 2.219 2.184 2.241 . 0 0 "[ . 1 . 2]" 1
363 1 34 ALA HA 1 37 LEU HB2 3.010 . 4.220 2.683 2.200 3.223 . 0 0 "[ . 1 . 2]" 1
364 1 34 ALA HA 1 37 LEU HB3 3.070 . 4.350 3.876 2.173 4.416 0.066 8 0 "[ . 1 . 2]" 1
365 1 34 ALA MB 1 35 ASP H 2.640 . 3.490 2.606 2.457 2.669 . 0 0 "[ . 1 . 2]" 1
366 1 35 ASP H 1 35 ASP HA 2.850 . 3.900 2.822 2.805 2.841 . 0 0 "[ . 1 . 2]" 1
367 1 35 ASP H 1 35 ASP HB2 2.710 . 3.620 2.579 2.234 2.759 . 0 0 "[ . 1 . 2]" 1
368 1 35 ASP H 1 35 ASP HB3 2.770 . 3.750 2.532 2.313 3.528 . 0 0 "[ . 1 . 2]" 1
369 1 35 ASP HA 1 36 GLU H 3.180 . 4.560 3.531 3.496 3.561 . 0 0 "[ . 1 . 2]" 1
370 1 35 ASP HB2 1 36 GLU H 3.230 . 4.660 3.824 2.736 3.951 . 0 0 "[ . 1 . 2]" 1
371 1 35 ASP HB3 1 36 GLU H 2.920 . 4.050 2.613 2.446 3.312 . 0 0 "[ . 1 . 2]" 1
372 1 36 GLU H 1 36 GLU HA 2.850 . 3.900 2.815 2.784 2.854 . 0 0 "[ . 1 . 2]" 1
373 1 36 GLU H 1 36 GLU QB 2.620 . 3.440 2.331 2.149 2.501 . 0 0 "[ . 1 . 2]" 1
374 1 36 GLU H 1 36 GLU HG2 3.270 . 4.740 3.550 2.154 4.499 . 0 0 "[ . 1 . 2]" 1
375 1 36 GLU H 1 36 GLU HG3 2.960 . 4.120 3.420 2.143 4.382 0.262 3 0 "[ . 1 . 2]" 1
376 1 36 GLU HA 1 36 GLU HG2 3.490 . 5.180 2.901 2.422 3.826 . 0 0 "[ . 1 . 2]" 1
377 1 36 GLU HA 1 36 GLU HG3 3.160 . 4.520 3.052 2.447 3.821 . 0 0 "[ . 1 . 2]" 1
378 1 36 GLU QB 1 37 LEU H 2.810 . 3.820 2.778 2.646 3.691 . 0 0 "[ . 1 . 2]" 1
379 1 37 LEU H 1 37 LEU HA 2.910 . 4.020 2.865 2.846 2.883 . 0 0 "[ . 1 . 2]" 1
380 1 37 LEU H 1 37 LEU HB2 2.790 . 3.790 2.391 2.040 2.594 . 0 0 "[ . 1 . 2]" 1
381 1 37 LEU H 1 37 LEU HB3 2.680 . 3.560 3.378 2.329 3.593 0.033 5 0 "[ . 1 . 2]" 1
382 1 37 LEU H 1 37 LEU MD1 3.260 . 4.720 3.735 2.225 4.221 . 0 0 "[ . 1 . 2]" 1
383 1 37 LEU H 1 37 LEU HG 2.970 . 4.140 3.020 2.253 4.434 0.294 15 0 "[ . 1 . 2]" 1
384 1 37 LEU HA 1 37 LEU MD1 2.640 . 3.490 3.282 2.022 3.805 0.315 7 0 "[ . 1 . 2]" 1
385 1 37 LEU HA 1 37 LEU MD2 2.650 . 3.510 2.311 1.939 3.812 0.302 18 0 "[ . 1 . 2]" 1
386 1 37 LEU HA 1 37 LEU HG 2.830 . 3.860 3.216 2.368 3.680 . 0 0 "[ . 1 . 2]" 1
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