NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588553 |
2mvj   |
25270 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mvj
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 353
_Distance_constraint_stats_list.Viol_count 430
_Distance_constraint_stats_list.Viol_total 611.845
_Distance_constraint_stats_list.Viol_max 0.465
_Distance_constraint_stats_list.Viol_rms 0.0598
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0173
_Distance_constraint_stats_list.Viol_average_violations_only 0.1423
_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 MET 0.135 0.080 1 0 "[ . 1]"
1 2 LYS 0.858 0.184 1 0 "[ . 1]"
1 3 PHE 0.980 0.215 3 0 "[ . 1]"
1 4 TYR 3.888 0.453 3 0 "[ . 1]"
1 5 THR 4.200 0.188 10 0 "[ . 1]"
1 6 ILE 4.838 0.265 2 0 "[ . 1]"
1 7 LYS 4.488 0.311 7 0 "[ . 1]"
1 8 LEU 15.217 0.417 1 0 "[ . 1]"
1 9 ALA 9.425 0.417 1 0 "[ . 1]"
1 10 LYS 5.943 0.413 6 0 "[ . 1]"
1 11 PHE 9.974 0.413 6 0 "[ . 1]"
1 12 LEU 12.493 0.401 1 0 "[ . 1]"
1 13 GLY 0.001 0.001 10 0 "[ . 1]"
1 14 GLY 3.308 0.289 4 0 "[ . 1]"
1 15 ILE 10.776 0.376 7 0 "[ . 1]"
1 16 VAL 9.053 0.263 6 0 "[ . 1]"
1 17 ARG 3.624 0.283 7 0 "[ . 1]"
1 18 ALA 2.975 0.376 7 0 "[ . 1]"
1 19 MET 2.660 0.215 1 0 "[ . 1]"
1 20 LEU 2.694 0.465 7 0 "[ . 1]"
1 21 GLY 0.279 0.142 10 0 "[ . 1]"
1 22 SER 1.371 0.215 1 0 "[ . 1]"
1 23 PHE 2.244 0.391 6 0 "[ . 1]"
1 24 ARG 1.822 0.391 6 0 "[ . 1]"
1 25 LYS 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET ME 4.870 . 4.870 4.126 3.308 4.521 . 0 0 "[ . 1]" 1
2 1 1 MET ME 1 5 THR HA 5.770 . 5.770 5.545 5.143 5.850 0.080 1 0 "[ . 1]" 1
3 1 1 MET ME 1 5 THR HB 4.290 . 4.290 3.662 2.573 4.233 . 0 0 "[ . 1]" 1
4 1 1 MET ME 1 5 THR MG 3.820 . 3.820 2.806 2.323 3.144 . 0 0 "[ . 1]" 1
5 1 1 MET QG 1 5 THR MG 5.480 . 5.480 4.366 2.406 5.237 . 0 0 "[ . 1]" 1
6 1 2 LYS QB 1 4 TYR QE 4.940 . 4.940 4.242 2.429 5.077 0.137 1 0 "[ . 1]" 1
7 1 2 LYS QB 1 5 THR MG 4.850 . 4.850 4.571 3.683 5.034 0.184 1 0 "[ . 1]" 1
8 1 3 PHE H 1 3 PHE QB 3.380 . 3.380 2.609 2.418 3.424 0.044 1 0 "[ . 1]" 1
9 1 3 PHE H 1 3 PHE QD 4.530 . 4.530 2.560 2.013 4.437 . 0 0 "[ . 1]" 1
10 1 3 PHE H 1 4 TYR H 4.230 . 4.230 2.593 2.060 2.884 . 0 0 "[ . 1]" 1
11 1 3 PHE H 1 4 TYR QD 5.870 . 5.870 5.185 3.032 5.894 0.024 8 0 "[ . 1]" 1
12 1 3 PHE HA 1 3 PHE QD 3.850 . 3.850 3.024 2.482 3.731 . 0 0 "[ . 1]" 1
13 1 3 PHE HA 1 6 ILE H 5.270 . 5.270 3.505 3.391 3.698 . 0 0 "[ . 1]" 1
14 1 3 PHE HA 1 6 ILE HB 4.210 . 4.210 3.640 3.074 4.242 0.032 4 0 "[ . 1]" 1
15 1 3 PHE HA 1 6 ILE MD 3.510 . 3.510 2.344 2.158 2.573 . 0 0 "[ . 1]" 1
16 1 3 PHE HA 1 6 ILE QG 5.900 . 5.900 4.241 3.639 4.558 . 0 0 "[ . 1]" 1
17 1 3 PHE QB 1 4 TYR H 3.550 . 3.550 3.087 2.440 3.570 0.020 6 0 "[ . 1]" 1
18 1 3 PHE QB 1 6 ILE HB 4.730 . 4.730 4.380 3.736 4.940 0.210 2 0 "[ . 1]" 1
19 1 3 PHE QB 1 6 ILE MD 3.890 . 3.890 3.833 3.608 4.105 0.215 3 0 "[ . 1]" 1
20 1 3 PHE QB 1 6 ILE MG 5.770 . 5.770 5.281 4.692 5.767 . 0 0 "[ . 1]" 1
21 1 4 TYR H 1 4 TYR QB 3.040 . 3.040 2.146 2.019 2.455 . 0 0 "[ . 1]" 1
22 1 4 TYR H 1 4 TYR QD 3.430 . 3.430 3.392 2.074 3.883 0.453 3 0 "[ . 1]" 1
23 1 4 TYR H 1 5 THR H 3.290 . 3.290 2.634 2.296 2.797 . 0 0 "[ . 1]" 1
24 1 4 TYR HA 1 4 TYR QD 3.910 . 3.910 3.371 3.156 3.747 . 0 0 "[ . 1]" 1
25 1 4 TYR HA 1 4 TYR QE 6.000 . 6.000 5.267 5.015 5.662 . 0 0 "[ . 1]" 1
26 1 4 TYR HA 1 5 THR MG 6.000 . 6.000 5.997 4.926 6.157 0.157 3 0 "[ . 1]" 1
27 1 4 TYR HA 1 6 ILE H 4.850 . 4.850 4.409 4.142 4.756 . 0 0 "[ . 1]" 1
28 1 4 TYR HA 1 7 LYS H 4.980 . 4.980 3.377 3.140 3.647 . 0 0 "[ . 1]" 1
29 1 4 TYR HA 1 8 LEU H 4.940 . 4.940 3.925 3.721 4.146 . 0 0 "[ . 1]" 1
30 1 4 TYR QB 1 5 THR H 3.820 . 3.820 3.219 2.759 3.738 . 0 0 "[ . 1]" 1
31 1 4 TYR QB 1 5 THR HB 6.000 . 6.000 5.593 5.143 6.088 0.088 10 0 "[ . 1]" 1
32 1 4 TYR QD 1 5 THR H 4.700 . 4.700 3.070 2.534 3.719 . 0 0 "[ . 1]" 1
33 1 4 TYR QD 1 5 THR MG 5.990 . 5.990 4.352 2.358 5.295 . 0 0 "[ . 1]" 1
34 1 4 TYR QD 1 8 LEU MD1 5.840 . 5.840 4.312 3.528 4.824 . 0 0 "[ . 1]" 1
35 1 4 TYR QD 1 8 LEU QD 4.630 . 4.630 3.697 3.347 4.052 . 0 0 "[ . 1]" 1
36 1 4 TYR QD 1 8 LEU MD2 5.840 . 5.840 4.107 3.490 4.484 . 0 0 "[ . 1]" 1
37 1 4 TYR QE 1 5 THR MG 6.000 . 6.000 4.386 2.665 5.144 . 0 0 "[ . 1]" 1
38 1 4 TYR QE 1 8 LEU MD1 6.000 . 6.000 3.773 2.548 6.030 0.030 2 0 "[ . 1]" 1
39 1 4 TYR QE 1 8 LEU QD 4.980 . 4.980 2.840 2.338 4.244 . 0 0 "[ . 1]" 1
40 1 4 TYR QE 1 8 LEU MD2 6.000 . 6.000 2.985 2.382 4.337 . 0 0 "[ . 1]" 1
41 1 5 THR H 1 5 THR HB 3.360 . 3.360 2.671 2.461 3.548 0.188 10 0 "[ . 1]" 1
42 1 5 THR H 1 5 THR MG 3.970 . 3.970 3.565 1.975 3.756 . 0 0 "[ . 1]" 1
43 1 5 THR H 1 6 ILE H 3.440 . 3.440 2.754 2.624 2.851 . 0 0 "[ . 1]" 1
44 1 5 THR H 1 6 ILE MG 6.000 . 6.000 6.003 5.866 6.116 0.116 9 0 "[ . 1]" 1
45 1 5 THR H 1 8 LEU HB2 5.490 . 5.490 5.568 5.507 5.625 0.135 5 0 "[ . 1]" 1
46 1 5 THR HA 1 5 THR MG 2.980 . 2.980 2.346 2.326 2.390 . 0 0 "[ . 1]" 1
47 1 5 THR HA 1 6 ILE MD 4.980 . 4.980 4.493 4.266 4.879 . 0 0 "[ . 1]" 1
48 1 5 THR HA 1 8 LEU QD 4.050 . 4.050 4.023 3.895 4.115 0.065 10 0 "[ . 1]" 1
49 1 5 THR HA 1 8 LEU HG 5.990 . 5.990 5.742 5.509 5.898 . 0 0 "[ . 1]" 1
50 1 5 THR HB 1 6 ILE H 3.480 . 3.480 2.614 2.428 3.443 . 0 0 "[ . 1]" 1
51 1 5 THR HB 1 6 ILE HA 4.600 . 4.600 4.285 4.226 4.392 . 0 0 "[ . 1]" 1
52 1 5 THR HB 1 6 ILE MD 4.680 . 4.680 2.588 2.257 4.014 . 0 0 "[ . 1]" 1
53 1 5 THR HB 1 6 ILE QG 4.180 . 4.180 4.089 3.324 4.363 0.183 4 0 "[ . 1]" 1
54 1 5 THR HB 1 7 LYS H 5.380 . 5.380 5.012 4.897 5.543 0.163 10 0 "[ . 1]" 1
55 1 5 THR MG 1 8 LEU H 5.430 . 5.430 5.025 4.885 5.386 . 0 0 "[ . 1]" 1
56 1 5 THR MG 1 8 LEU HB3 6.000 . 6.000 4.338 4.066 5.098 . 0 0 "[ . 1]" 1
57 1 5 THR MG 1 9 ALA MB 5.290 . 5.290 3.333 2.839 5.153 . 0 0 "[ . 1]" 1
58 1 6 ILE H 1 6 ILE HB 3.180 . 3.180 2.496 2.414 2.620 . 0 0 "[ . 1]" 1
59 1 6 ILE H 1 6 ILE MD 4.220 . 4.220 1.790 1.724 1.852 0.076 2 0 "[ . 1]" 1
60 1 6 ILE H 1 6 ILE QG 3.320 . 3.320 3.069 2.607 3.284 . 0 0 "[ . 1]" 1
61 1 6 ILE H 1 6 ILE MG 3.920 . 3.920 3.802 3.786 3.810 . 0 0 "[ . 1]" 1
62 1 6 ILE H 1 7 LYS H 3.250 . 3.250 2.620 2.582 2.654 . 0 0 "[ . 1]" 1
63 1 6 ILE H 1 8 LEU H 4.250 . 4.250 4.316 4.281 4.338 0.088 6 0 "[ . 1]" 1
64 1 6 ILE HA 1 6 ILE HB 3.020 . 3.020 3.047 3.042 3.053 0.033 3 0 "[ . 1]" 1
65 1 6 ILE HA 1 6 ILE MD 3.800 . 3.800 3.099 2.792 3.610 . 0 0 "[ . 1]" 1
66 1 6 ILE HA 1 6 ILE QG 3.540 . 3.540 2.419 2.363 2.444 . 0 0 "[ . 1]" 1
67 1 6 ILE HA 1 6 ILE MG 3.040 . 3.040 2.443 2.338 2.499 . 0 0 "[ . 1]" 1
68 1 6 ILE HA 1 9 ALA MB 2.850 . 2.850 2.392 2.319 2.644 . 0 0 "[ . 1]" 1
69 1 6 ILE HB 1 6 ILE MD 2.820 . 2.820 2.314 2.231 2.370 . 0 0 "[ . 1]" 1
70 1 6 ILE MD 1 10 LYS QE 6.000 . 6.000 5.987 5.629 6.195 0.195 6 0 "[ . 1]" 1
71 1 6 ILE MG 1 7 LYS H 4.070 . 4.070 3.402 3.299 3.561 . 0 0 "[ . 1]" 1
72 1 6 ILE MG 1 7 LYS HA 3.710 . 3.710 3.442 3.328 3.625 . 0 0 "[ . 1]" 1
73 1 6 ILE MG 1 7 LYS HB2 5.640 . 5.640 4.506 4.381 4.731 . 0 0 "[ . 1]" 1
74 1 6 ILE MG 1 9 ALA H 5.280 . 5.280 4.831 4.730 4.952 . 0 0 "[ . 1]" 1
75 1 6 ILE MG 1 10 LYS HB3 5.050 . 5.050 4.922 4.513 5.315 0.265 2 0 "[ . 1]" 1
76 1 7 LYS H 1 7 LYS HB3 3.920 . 3.920 2.491 2.447 2.532 . 0 0 "[ . 1]" 1
77 1 7 LYS H 1 7 LYS HG2 4.870 . 4.870 4.462 4.436 4.496 . 0 0 "[ . 1]" 1
78 1 7 LYS H 1 9 ALA H 5.700 . 5.700 4.082 4.003 4.217 . 0 0 "[ . 1]" 1
79 1 7 LYS HA 1 9 ALA H 4.670 . 4.670 4.567 4.522 4.608 . 0 0 "[ . 1]" 1
80 1 7 LYS QE 1 8 LEU MD1 5.560 . 5.560 4.755 4.532 4.809 . 0 0 "[ . 1]" 1
81 1 7 LYS QE 1 8 LEU QD 4.510 . 4.510 4.654 4.360 4.714 0.204 4 0 "[ . 1]" 1
82 1 7 LYS HG3 1 8 LEU H 4.210 . 4.210 4.484 4.452 4.521 0.311 7 0 "[ . 1]" 1
83 1 8 LEU H 1 8 LEU HB2 2.840 . 2.840 2.375 2.314 2.472 . 0 0 "[ . 1]" 1
84 1 8 LEU H 1 8 LEU HB3 3.130 . 3.130 2.718 2.622 2.767 . 0 0 "[ . 1]" 1
85 1 8 LEU H 1 8 LEU MD1 4.480 . 4.480 3.955 3.896 4.045 . 0 0 "[ . 1]" 1
86 1 8 LEU H 1 8 LEU QD 3.860 . 3.860 3.671 3.628 3.714 . 0 0 "[ . 1]" 1
87 1 8 LEU H 1 8 LEU MD2 4.480 . 4.480 4.353 4.323 4.421 . 0 0 "[ . 1]" 1
88 1 8 LEU H 1 9 ALA HA 4.840 . 4.840 5.193 5.173 5.257 0.417 1 0 "[ . 1]" 1
89 1 8 LEU H 1 9 ALA MB 4.630 . 4.630 4.252 4.195 4.313 . 0 0 "[ . 1]" 1
90 1 8 LEU H 1 11 PHE HB2 5.510 . 5.510 5.352 5.128 5.527 0.017 7 0 "[ . 1]" 1
91 1 8 LEU H 1 11 PHE HB3 5.470 . 5.470 5.171 5.021 5.289 . 0 0 "[ . 1]" 1
92 1 8 LEU HA 1 8 LEU MD1 3.930 . 3.930 2.221 2.196 2.291 . 0 0 "[ . 1]" 1
93 1 8 LEU HA 1 8 LEU QD 3.150 . 3.150 2.208 2.183 2.275 . 0 0 "[ . 1]" 1
94 1 8 LEU HA 1 8 LEU MD2 3.930 . 3.930 3.847 3.835 3.863 . 0 0 "[ . 1]" 1
95 1 8 LEU HA 1 11 PHE H 3.710 . 3.710 3.200 3.034 3.389 . 0 0 "[ . 1]" 1
96 1 8 LEU HA 1 11 PHE HB2 3.620 . 3.620 3.024 2.775 3.131 . 0 0 "[ . 1]" 1
97 1 8 LEU HA 1 11 PHE HB3 4.150 . 4.150 2.495 2.403 2.608 . 0 0 "[ . 1]" 1
98 1 8 LEU HA 1 11 PHE QD 4.710 . 4.710 4.020 3.809 4.142 . 0 0 "[ . 1]" 1
99 1 8 LEU HA 1 12 LEU H 5.370 . 5.370 3.893 3.819 3.969 . 0 0 "[ . 1]" 1
100 1 8 LEU HB2 1 9 ALA H 3.490 . 3.490 3.701 3.662 3.750 0.260 5 0 "[ . 1]" 1
101 1 8 LEU HB2 1 11 PHE QD 6.000 . 6.000 5.717 5.593 5.879 . 0 0 "[ . 1]" 1
102 1 8 LEU HB3 1 9 ALA H 4.210 . 4.210 2.588 2.531 2.629 . 0 0 "[ . 1]" 1
103 1 8 LEU HB3 1 11 PHE QD 6.000 . 6.000 5.927 5.817 6.017 0.017 5 0 "[ . 1]" 1
104 1 8 LEU QD 1 9 ALA HA 4.520 . 4.520 4.421 4.241 4.501 . 0 0 "[ . 1]" 1
105 1 8 LEU QD 1 11 PHE H 5.750 . 5.750 4.415 4.129 4.691 . 0 0 "[ . 1]" 1
106 1 8 LEU QD 1 11 PHE HA 5.590 . 5.590 5.242 5.011 5.603 0.013 4 0 "[ . 1]" 1
107 1 8 LEU QD 1 11 PHE HB3 4.410 . 4.410 2.741 2.404 3.260 . 0 0 "[ . 1]" 1
108 1 8 LEU QD 1 11 PHE QD 3.690 . 3.690 2.624 2.374 3.175 . 0 0 "[ . 1]" 1
109 1 8 LEU MD1 1 11 PHE QD 4.340 . 4.340 2.644 2.381 3.240 . 0 0 "[ . 1]" 1
110 1 8 LEU MD2 1 11 PHE QD 4.340 . 4.340 4.627 4.555 4.734 0.394 5 0 "[ . 1]" 1
111 1 8 LEU HG 1 9 ALA HA 4.190 . 4.190 4.226 3.952 4.375 0.185 4 0 "[ . 1]" 1
112 1 9 ALA H 1 9 ALA MB 2.900 . 2.900 2.252 2.243 2.260 . 0 0 "[ . 1]" 1
113 1 9 ALA H 1 10 LYS H 3.480 . 3.480 2.774 2.691 2.893 . 0 0 "[ . 1]" 1
114 1 9 ALA H 1 12 LEU H 5.320 . 5.320 4.754 4.690 4.812 . 0 0 "[ . 1]" 1
115 1 9 ALA H 1 12 LEU MD1 6.000 . 6.000 4.351 4.012 4.716 . 0 0 "[ . 1]" 1
116 1 9 ALA H 1 12 LEU QD 5.110 . 5.110 4.271 3.965 4.583 . 0 0 "[ . 1]" 1
117 1 9 ALA H 1 12 LEU MD2 6.000 . 6.000 6.255 6.173 6.341 0.341 10 0 "[ . 1]" 1
118 1 9 ALA HA 1 11 PHE H 5.700 . 5.700 4.482 4.409 4.550 . 0 0 "[ . 1]" 1
119 1 9 ALA HA 1 12 LEU H 3.930 . 3.930 3.639 3.515 3.808 . 0 0 "[ . 1]" 1
120 1 9 ALA HA 1 12 LEU QD 3.830 . 3.830 2.752 2.457 3.081 . 0 0 "[ . 1]" 1
121 1 9 ALA MB 1 10 LYS QE 4.720 . 4.720 4.723 4.522 4.904 0.184 8 0 "[ . 1]" 1
122 1 9 ALA MB 1 11 PHE H 4.700 . 4.700 4.504 4.428 4.560 . 0 0 "[ . 1]" 1
123 1 10 LYS H 1 10 LYS HB3 3.710 . 3.710 3.143 2.680 3.565 . 0 0 "[ . 1]" 1
124 1 10 LYS H 1 11 PHE HB2 5.370 . 5.370 4.897 4.790 4.957 . 0 0 "[ . 1]" 1
125 1 10 LYS H 1 11 PHE HB3 4.960 . 4.960 4.714 4.639 4.779 . 0 0 "[ . 1]" 1
126 1 10 LYS HA 1 11 PHE HA 5.070 . 5.070 4.857 4.844 4.871 . 0 0 "[ . 1]" 1
127 1 10 LYS HA 1 12 LEU H 5.070 . 5.070 4.583 4.503 4.671 . 0 0 "[ . 1]" 1
128 1 10 LYS HA 1 13 GLY H 4.400 . 4.400 3.305 3.211 3.402 . 0 0 "[ . 1]" 1
129 1 10 LYS HA 1 14 GLY H 4.120 . 4.120 4.323 4.239 4.409 0.289 4 0 "[ . 1]" 1
130 1 10 LYS HB2 1 11 PHE HA 6.000 . 6.000 4.992 4.270 5.614 . 0 0 "[ . 1]" 1
131 1 10 LYS HB3 1 11 PHE H 3.120 . 3.120 3.052 2.573 3.533 0.413 6 0 "[ . 1]" 1
132 1 10 LYS HB3 1 11 PHE HA 4.600 . 4.600 4.235 4.086 4.423 . 0 0 "[ . 1]" 1
133 1 10 LYS QG 1 11 PHE H 4.810 . 4.810 4.064 3.988 4.146 . 0 0 "[ . 1]" 1
134 1 10 LYS HG3 1 11 PHE H 5.560 . 5.560 4.531 4.300 4.977 . 0 0 "[ . 1]" 1
135 1 11 PHE H 1 11 PHE HB2 3.070 . 3.070 2.471 2.432 2.531 . 0 0 "[ . 1]" 1
136 1 11 PHE H 1 11 PHE HB3 2.970 . 2.970 2.503 2.443 2.539 . 0 0 "[ . 1]" 1
137 1 11 PHE H 1 11 PHE QD 4.240 . 4.240 4.192 4.179 4.203 . 0 0 "[ . 1]" 1
138 1 11 PHE H 1 12 LEU H 3.480 . 3.480 2.721 2.642 2.832 . 0 0 "[ . 1]" 1
139 1 11 PHE H 1 12 LEU HA 5.710 . 5.710 5.366 5.303 5.441 . 0 0 "[ . 1]" 1
140 1 11 PHE H 1 12 LEU QB 5.730 . 5.730 4.672 4.566 4.821 . 0 0 "[ . 1]" 1
141 1 11 PHE H 1 12 LEU QD 4.680 . 4.680 4.784 4.728 4.890 0.210 10 0 "[ . 1]" 1
142 1 11 PHE HA 1 11 PHE QD 3.590 . 3.590 2.448 2.409 2.499 . 0 0 "[ . 1]" 1
143 1 11 PHE HA 1 12 LEU H 3.800 . 3.800 3.535 3.521 3.554 . 0 0 "[ . 1]" 1
144 1 11 PHE HA 1 13 GLY H 5.260 . 5.260 4.494 4.418 4.569 . 0 0 "[ . 1]" 1
145 1 11 PHE HA 1 14 GLY H 4.620 . 4.620 3.718 3.581 3.874 . 0 0 "[ . 1]" 1
146 1 11 PHE HB2 1 12 LEU H 3.420 . 3.420 3.686 3.632 3.719 0.299 7 0 "[ . 1]" 1
147 1 11 PHE HB2 1 12 LEU HG 6.000 . 6.000 4.819 4.727 4.887 . 0 0 "[ . 1]" 1
148 1 11 PHE HB2 1 15 ILE MD 5.250 . 5.250 5.052 4.901 5.235 . 0 0 "[ . 1]" 1
149 1 11 PHE HB3 1 12 LEU H 3.880 . 3.880 2.324 2.283 2.365 . 0 0 "[ . 1]" 1
150 1 11 PHE HB3 1 12 LEU QD 4.750 . 4.750 3.659 3.405 3.845 . 0 0 "[ . 1]" 1
151 1 11 PHE QD 1 12 LEU H 4.560 . 4.560 3.528 3.399 3.603 . 0 0 "[ . 1]" 1
152 1 11 PHE QD 1 12 LEU HA 6.000 . 6.000 3.880 3.759 4.005 . 0 0 "[ . 1]" 1
153 1 11 PHE QD 1 12 LEU HB3 6.000 . 6.000 5.373 5.231 5.518 . 0 0 "[ . 1]" 1
154 1 11 PHE QD 1 12 LEU MD1 4.410 . 4.410 4.347 4.187 4.437 0.027 1 0 "[ . 1]" 1
155 1 11 PHE QD 1 12 LEU QD 3.100 . 3.100 2.588 2.362 2.988 . 0 0 "[ . 1]" 1
156 1 11 PHE QD 1 12 LEU MD2 4.410 . 4.410 2.610 2.372 3.041 . 0 0 "[ . 1]" 1
157 1 11 PHE QD 1 12 LEU HG 4.530 . 4.530 3.078 2.919 3.296 . 0 0 "[ . 1]" 1
158 1 11 PHE QD 1 15 ILE MD 4.220 . 4.220 3.107 3.050 3.176 . 0 0 "[ . 1]" 1
159 1 11 PHE QD 1 15 ILE QG . . 5.380 4.251 4.130 4.328 . 0 0 "[ . 1]" 1
160 1 11 PHE QD 1 15 ILE MG 5.420 . 5.420 5.573 5.493 5.687 0.267 6 0 "[ . 1]" 1
161 1 12 LEU H 1 12 LEU HB2 3.710 . 3.710 2.484 2.411 2.608 . 0 0 "[ . 1]" 1
162 1 12 LEU H 1 12 LEU QB 3.240 . 3.240 2.442 2.376 2.553 . 0 0 "[ . 1]" 1
163 1 12 LEU H 1 12 LEU HB3 3.710 . 3.710 3.604 3.590 3.629 . 0 0 "[ . 1]" 1
164 1 12 LEU H 1 12 LEU QD 3.640 . 3.640 3.062 2.945 3.127 . 0 0 "[ . 1]" 1
165 1 12 LEU H 1 12 LEU HG 4.230 . 4.230 2.184 2.060 2.285 . 0 0 "[ . 1]" 1
166 1 12 LEU H 1 13 GLY HA2 5.700 . 5.700 5.203 5.129 5.253 . 0 0 "[ . 1]" 1
167 1 12 LEU H 1 15 ILE H 5.790 . 5.790 4.868 4.796 4.919 . 0 0 "[ . 1]" 1
168 1 12 LEU H 1 15 ILE MD 6.000 . 6.000 4.347 4.257 4.513 . 0 0 "[ . 1]" 1
169 1 12 LEU HA 1 12 LEU QD 2.620 . 2.620 2.202 2.185 2.223 . 0 0 "[ . 1]" 1
170 1 12 LEU HA 1 12 LEU HG 4.040 . 4.040 3.044 2.924 3.180 . 0 0 "[ . 1]" 1
171 1 12 LEU HA 1 15 ILE HB 3.980 . 3.980 2.674 2.536 2.897 . 0 0 "[ . 1]" 1
172 1 12 LEU HA 1 15 ILE MD 3.110 . 3.110 2.600 2.447 2.787 . 0 0 "[ . 1]" 1
173 1 12 LEU HA 1 15 ILE MG 4.400 . 4.400 4.151 4.006 4.371 . 0 0 "[ . 1]" 1
174 1 12 LEU HA 1 16 VAL H 3.650 . 3.650 3.743 3.721 3.796 0.146 6 0 "[ . 1]" 1
175 1 12 LEU HA 1 16 VAL HA 6.000 . 6.000 5.602 5.334 5.845 . 0 0 "[ . 1]" 1
176 1 12 LEU QB 1 12 LEU QD 1.560 . 1.560 1.955 1.951 1.961 0.401 1 0 "[ . 1]" 1
177 1 12 LEU QB 1 13 GLY H 3.710 . 3.710 2.516 2.488 2.536 . 0 0 "[ . 1]" 1
178 1 12 LEU QB 1 13 GLY HA2 5.810 . 5.810 3.841 3.814 3.870 . 0 0 "[ . 1]" 1
179 1 12 LEU QB 1 15 ILE MD 5.810 . 5.810 4.364 4.228 4.532 . 0 0 "[ . 1]" 1
180 1 12 LEU HB2 1 12 LEU MD1 3.520 . 3.520 2.329 2.305 2.349 . 0 0 "[ . 1]" 1
181 1 12 LEU HB2 1 12 LEU MD2 3.520 . 3.520 3.257 3.247 3.260 . 0 0 "[ . 1]" 1
182 1 12 LEU HB2 1 13 GLY H 4.260 . 4.260 2.564 2.533 2.587 . 0 0 "[ . 1]" 1
183 1 12 LEU HB3 1 12 LEU MD1 3.520 . 3.520 2.428 2.395 2.492 . 0 0 "[ . 1]" 1
184 1 12 LEU HB3 1 12 LEU MD2 3.520 . 3.520 2.353 2.323 2.379 . 0 0 "[ . 1]" 1
185 1 12 LEU HB3 1 13 GLY H 4.260 . 4.260 3.651 3.602 3.737 . 0 0 "[ . 1]" 1
186 1 12 LEU HB3 1 16 VAL MG1 4.800 . 4.800 4.922 4.877 4.970 0.170 1 0 "[ . 1]" 1
187 1 12 LEU QD 1 15 ILE H 4.750 . 4.750 4.746 4.684 4.782 0.032 9 0 "[ . 1]" 1
188 1 12 LEU QD 1 15 ILE MD 2.830 . 2.830 2.667 2.558 2.817 . 0 0 "[ . 1]" 1
189 1 12 LEU HG 1 13 GLY H 5.920 . 5.920 4.213 4.059 4.324 . 0 0 "[ . 1]" 1
190 1 13 GLY H 1 14 GLY H 3.460 . 3.460 2.668 2.613 2.716 . 0 0 "[ . 1]" 1
191 1 13 GLY H 1 15 ILE H 4.860 . 4.860 4.301 4.246 4.339 . 0 0 "[ . 1]" 1
192 1 13 GLY H 1 16 VAL MG1 4.450 . 4.450 4.430 4.406 4.451 0.001 10 0 "[ . 1]" 1
193 1 13 GLY HA2 1 15 ILE H 5.530 . 5.530 4.555 4.482 4.652 . 0 0 "[ . 1]" 1
194 1 13 GLY HA2 1 16 VAL H 4.560 . 4.560 3.506 3.438 3.581 . 0 0 "[ . 1]" 1
195 1 13 GLY HA2 1 16 VAL HB 4.410 . 4.410 3.037 2.962 3.124 . 0 0 "[ . 1]" 1
196 1 13 GLY HA2 1 16 VAL MG1 4.330 . 4.330 2.186 2.136 2.255 . 0 0 "[ . 1]" 1
197 1 13 GLY HA2 1 16 VAL MG2 5.460 . 5.460 4.079 4.051 4.117 . 0 0 "[ . 1]" 1
198 1 13 GLY HA2 1 17 ARG H 5.880 . 5.880 4.360 4.035 4.744 . 0 0 "[ . 1]" 1
199 1 14 GLY H 1 15 ILE H 3.210 . 3.210 2.255 2.186 2.364 . 0 0 "[ . 1]" 1
200 1 14 GLY H 1 15 ILE HA 4.880 . 4.880 4.979 4.924 5.077 0.197 7 0 "[ . 1]" 1
201 1 14 GLY H 1 15 ILE QG 4.820 . 4.820 3.811 3.707 3.940 . 0 0 "[ . 1]" 1
202 1 14 GLY QA 1 17 ARG HB3 4.070 . 4.070 3.785 3.374 4.176 0.106 4 0 "[ . 1]" 1
203 1 15 ILE H 1 15 ILE HB 3.100 . 3.100 2.465 2.373 2.517 . 0 0 "[ . 1]" 1
204 1 15 ILE H 1 15 ILE MD 4.150 . 4.150 3.379 3.352 3.417 . 0 0 "[ . 1]" 1
205 1 15 ILE H 1 15 ILE QG 3.380 . 3.380 2.103 2.041 2.200 . 0 0 "[ . 1]" 1
206 1 15 ILE H 1 15 ILE MG 3.820 . 3.820 3.763 3.747 3.782 . 0 0 "[ . 1]" 1
207 1 15 ILE H 1 16 VAL H 3.170 . 3.170 2.575 2.548 2.614 . 0 0 "[ . 1]" 1
208 1 15 ILE H 1 16 VAL HA 4.990 . 4.990 5.134 5.089 5.175 0.185 10 0 "[ . 1]" 1
209 1 15 ILE H 1 16 VAL HB 5.230 . 5.230 4.707 4.617 4.773 . 0 0 "[ . 1]" 1
210 1 15 ILE H 1 16 VAL MG1 4.640 . 4.640 4.199 4.040 4.370 . 0 0 "[ . 1]" 1
211 1 15 ILE H 1 17 ARG H 4.970 . 4.970 4.340 4.239 4.451 . 0 0 "[ . 1]" 1
212 1 15 ILE HA 1 15 ILE MD 3.940 . 3.940 3.879 3.861 3.895 . 0 0 "[ . 1]" 1
213 1 15 ILE HA 1 15 ILE QG 3.460 . 3.460 2.477 2.426 2.511 . 0 0 "[ . 1]" 1
214 1 15 ILE HA 1 15 ILE MG 2.770 . 2.770 2.389 2.361 2.452 . 0 0 "[ . 1]" 1
215 1 15 ILE HA 1 17 ARG H 4.670 . 4.670 4.300 4.172 4.517 . 0 0 "[ . 1]" 1
216 1 15 ILE HA 1 18 ALA H 3.830 . 3.830 3.054 2.970 3.191 . 0 0 "[ . 1]" 1
217 1 15 ILE HA 1 18 ALA HA 4.560 . 4.560 4.809 4.755 4.936 0.376 7 0 "[ . 1]" 1
218 1 15 ILE HA 1 18 ALA MB 3.250 . 3.250 2.243 2.224 2.300 . 0 0 "[ . 1]" 1
219 1 15 ILE HA 1 19 MET HG2 6.000 . 6.000 5.999 5.865 6.082 0.082 4 0 "[ . 1]" 1
220 1 15 ILE HB 1 15 ILE MD 2.860 . 2.860 2.322 2.303 2.344 . 0 0 "[ . 1]" 1
221 1 15 ILE HB 1 16 VAL MG1 5.070 . 5.070 4.889 4.844 4.948 . 0 0 "[ . 1]" 1
222 1 15 ILE MD 1 15 ILE MG 3.020 . 3.020 1.935 1.910 1.963 . 0 0 "[ . 1]" 1
223 1 15 ILE MD 1 16 VAL H 5.100 . 5.100 4.524 4.411 4.662 . 0 0 "[ . 1]" 1
224 1 15 ILE MD 1 16 VAL HA 5.590 . 5.590 5.752 5.702 5.800 0.210 3 0 "[ . 1]" 1
225 1 15 ILE MD 1 16 VAL MG1 5.740 . 5.740 5.957 5.908 6.003 0.263 6 0 "[ . 1]" 1
226 1 15 ILE MD 1 18 ALA MB 5.660 . 5.660 4.809 4.665 4.978 . 0 0 "[ . 1]" 1
227 1 15 ILE MD 1 19 MET HG3 6.000 . 6.000 5.473 5.311 5.753 . 0 0 "[ . 1]" 1
228 1 15 ILE QG 1 15 ILE MG 3.260 . 3.260 2.301 2.277 2.322 . 0 0 "[ . 1]" 1
229 1 15 ILE QG 1 16 VAL H 5.580 . 5.580 4.081 4.003 4.139 . 0 0 "[ . 1]" 1
230 1 15 ILE MG 1 16 VAL H 3.720 . 3.720 3.616 3.420 3.737 0.017 8 0 "[ . 1]" 1
231 1 15 ILE MG 1 16 VAL HA 3.760 . 3.760 3.533 3.325 3.645 . 0 0 "[ . 1]" 1
232 1 15 ILE MG 1 19 MET HG2 3.710 . 3.710 3.596 3.463 3.798 0.088 6 0 "[ . 1]" 1
233 1 15 ILE MG 1 19 MET HG3 3.580 . 3.580 2.457 2.371 2.731 . 0 0 "[ . 1]" 1
234 1 16 VAL H 1 16 VAL HB 3.100 . 3.100 2.336 2.239 2.436 . 0 0 "[ . 1]" 1
235 1 16 VAL H 1 16 VAL MG1 3.040 . 3.040 2.501 2.301 2.683 . 0 0 "[ . 1]" 1
236 1 16 VAL H 1 16 VAL MG2 3.790 . 3.790 3.727 3.676 3.772 . 0 0 "[ . 1]" 1
237 1 16 VAL H 1 17 ARG H 3.340 . 3.340 2.790 2.724 2.860 . 0 0 "[ . 1]" 1
238 1 16 VAL H 1 18 ALA H 4.120 . 4.120 4.030 3.986 4.092 . 0 0 "[ . 1]" 1
239 1 16 VAL HA 1 16 VAL MG1 3.250 . 3.250 3.236 3.232 3.242 . 0 0 "[ . 1]" 1
240 1 16 VAL HA 1 16 VAL MG2 2.940 . 2.940 2.301 2.275 2.340 . 0 0 "[ . 1]" 1
241 1 16 VAL HA 1 18 ALA H 4.600 . 4.600 4.370 4.303 4.440 . 0 0 "[ . 1]" 1
242 1 16 VAL HA 1 19 MET H 3.850 . 3.850 3.604 3.488 3.711 . 0 0 "[ . 1]" 1
243 1 16 VAL HA 1 19 MET HA 6.000 . 6.000 5.702 5.567 5.835 . 0 0 "[ . 1]" 1
244 1 16 VAL HA 1 19 MET HB3 4.890 . 4.890 4.637 4.364 4.870 . 0 0 "[ . 1]" 1
245 1 16 VAL HA 1 19 MET HG2 5.100 . 5.100 4.938 4.725 5.116 0.016 9 0 "[ . 1]" 1
246 1 16 VAL HA 1 19 MET HG3 4.640 . 4.640 3.528 3.215 3.707 . 0 0 "[ . 1]" 1
247 1 16 VAL HA 1 20 LEU H 4.750 . 4.750 4.545 4.053 4.796 0.046 5 0 "[ . 1]" 1
248 1 16 VAL HA 1 20 LEU MD1 5.820 . 5.820 4.583 3.948 6.051 0.231 7 0 "[ . 1]" 1
249 1 16 VAL HA 1 20 LEU MD2 5.820 . 5.820 5.436 3.337 5.895 0.075 1 0 "[ . 1]" 1
250 1 16 VAL HB 1 17 ARG H 4.060 . 4.060 3.713 3.601 3.802 . 0 0 "[ . 1]" 1
251 1 16 VAL MG1 1 17 ARG H 3.910 . 3.910 1.906 1.820 1.959 . 0 0 "[ . 1]" 1
252 1 16 VAL MG1 1 17 ARG HA 3.850 . 3.850 3.130 3.063 3.197 . 0 0 "[ . 1]" 1
253 1 16 VAL MG1 1 18 ALA H 5.920 . 5.920 4.093 4.049 4.140 . 0 0 "[ . 1]" 1
254 1 16 VAL MG1 1 19 MET H 6.000 . 6.000 5.009 4.942 5.057 . 0 0 "[ . 1]" 1
255 1 16 VAL MG1 1 19 MET HG3 6.000 . 6.000 5.844 5.587 5.990 . 0 0 "[ . 1]" 1
256 1 16 VAL MG1 1 20 LEU H 6.000 . 6.000 5.184 4.780 5.432 . 0 0 "[ . 1]" 1
257 1 16 VAL MG2 1 17 ARG H 3.770 . 3.770 3.783 3.667 3.883 0.113 10 0 "[ . 1]" 1
258 1 16 VAL MG2 1 17 ARG QD 5.470 . 5.470 5.461 5.243 5.642 0.172 5 0 "[ . 1]" 1
259 1 16 VAL MG2 1 19 MET HG3 6.000 . 6.000 5.040 4.750 5.218 . 0 0 "[ . 1]" 1
260 1 16 VAL MG2 1 20 LEU H 4.600 . 4.600 4.550 4.254 4.694 0.094 6 0 "[ . 1]" 1
261 1 17 ARG H 1 17 ARG HB2 3.960 . 3.960 2.435 2.149 2.613 . 0 0 "[ . 1]" 1
262 1 17 ARG H 1 17 ARG HB3 2.810 . 2.810 2.545 2.358 2.906 0.096 5 0 "[ . 1]" 1
263 1 17 ARG H 1 17 ARG QD 4.720 . 4.720 4.340 4.221 4.613 . 0 0 "[ . 1]" 1
264 1 17 ARG H 1 17 ARG HG2 4.420 . 4.420 4.447 4.076 4.592 0.172 8 0 "[ . 1]" 1
265 1 17 ARG H 1 17 ARG HG3 4.420 . 4.420 4.455 4.389 4.573 0.153 4 0 "[ . 1]" 1
266 1 17 ARG H 1 18 ALA H 3.300 . 3.300 2.567 2.531 2.634 . 0 0 "[ . 1]" 1
267 1 17 ARG H 1 18 ALA HA 5.360 . 5.360 5.182 5.148 5.237 . 0 0 "[ . 1]" 1
268 1 17 ARG H 1 18 ALA MB 5.170 . 5.170 4.256 4.204 4.334 . 0 0 "[ . 1]" 1
269 1 17 ARG HA 1 17 ARG HG2 4.000 . 4.000 3.407 2.463 3.831 . 0 0 "[ . 1]" 1
270 1 17 ARG HA 1 17 ARG QG 3.350 . 3.350 2.849 2.426 3.114 . 0 0 "[ . 1]" 1
271 1 17 ARG HA 1 17 ARG HG3 4.000 . 4.000 3.319 2.956 3.682 . 0 0 "[ . 1]" 1
272 1 17 ARG HA 1 19 MET H 4.360 . 4.360 4.356 4.294 4.435 0.075 9 0 "[ . 1]" 1
273 1 17 ARG HA 1 20 LEU H 4.080 . 4.080 3.680 3.602 3.773 . 0 0 "[ . 1]" 1
274 1 17 ARG HA 1 20 LEU HB3 5.300 . 5.300 4.561 4.191 4.799 . 0 0 "[ . 1]" 1
275 1 17 ARG HA 1 20 LEU HG 6.000 . 6.000 4.982 3.795 5.940 . 0 0 "[ . 1]" 1
276 1 17 ARG HB3 1 18 ALA HA 5.000 . 5.000 4.200 3.967 4.351 . 0 0 "[ . 1]" 1
277 1 17 ARG HB3 1 20 LEU QD 5.600 . 5.600 5.534 5.180 5.883 0.283 7 0 "[ . 1]" 1
278 1 17 ARG QD 1 17 ARG QG 2.410 . 2.410 2.097 2.014 2.121 . 0 0 "[ . 1]" 1
279 1 17 ARG QD 1 18 ALA MB 5.800 . 5.800 5.276 4.453 5.857 0.057 8 0 "[ . 1]" 1
280 1 17 ARG QD 1 20 LEU MD1 5.840 . 5.840 4.378 3.206 5.505 . 0 0 "[ . 1]" 1
281 1 17 ARG QD 1 20 LEU QD 4.490 . 4.490 3.776 3.179 4.560 0.070 7 0 "[ . 1]" 1
282 1 17 ARG QG 1 18 ALA HA 5.810 . 5.810 4.167 3.549 5.401 . 0 0 "[ . 1]" 1
283 1 18 ALA H 1 18 ALA MB 2.610 . 2.610 2.238 2.225 2.250 . 0 0 "[ . 1]" 1
284 1 18 ALA H 1 19 MET H 3.220 . 3.220 2.763 2.708 2.812 . 0 0 "[ . 1]" 1
285 1 18 ALA H 1 19 MET HG3 4.580 . 4.580 4.594 4.468 4.761 0.181 9 0 "[ . 1]" 1
286 1 18 ALA MB 1 19 MET H 3.480 . 3.480 2.572 2.515 2.655 . 0 0 "[ . 1]" 1
287 1 18 ALA MB 1 19 MET HA 4.410 . 4.410 3.832 3.812 3.849 . 0 0 "[ . 1]" 1
288 1 18 ALA MB 1 19 MET HG2 4.750 . 4.750 4.416 4.284 4.529 . 0 0 "[ . 1]" 1
289 1 18 ALA MB 1 19 MET HG3 4.450 . 4.450 3.360 3.224 3.541 . 0 0 "[ . 1]" 1
290 1 18 ALA MB 1 21 GLY H 5.000 . 5.000 4.636 4.573 4.721 . 0 0 "[ . 1]" 1
291 1 19 MET H 1 19 MET HB2 3.130 . 3.130 2.269 2.217 2.351 . 0 0 "[ . 1]" 1
292 1 19 MET H 1 19 MET HB3 3.710 . 3.710 3.487 3.469 3.511 . 0 0 "[ . 1]" 1
293 1 19 MET H 1 19 MET HG2 3.840 . 3.840 3.547 3.408 3.654 . 0 0 "[ . 1]" 1
294 1 19 MET H 1 19 MET HG3 3.340 . 3.340 2.355 2.201 2.539 . 0 0 "[ . 1]" 1
295 1 19 MET H 1 20 LEU QD 4.900 . 4.900 4.285 3.851 4.885 . 0 0 "[ . 1]" 1
296 1 19 MET H 1 21 GLY H 4.120 . 4.120 3.884 3.816 3.997 . 0 0 "[ . 1]" 1
297 1 19 MET H 1 22 SER QB 4.430 . 4.430 4.551 4.467 4.645 0.215 1 0 "[ . 1]" 1
298 1 19 MET HA 1 19 MET HG2 3.860 . 3.860 2.452 2.353 2.500 . 0 0 "[ . 1]" 1
299 1 19 MET HA 1 19 MET HG3 3.360 . 3.360 2.930 2.849 3.123 . 0 0 "[ . 1]" 1
300 1 19 MET HA 1 20 LEU H 3.570 . 3.570 3.551 3.534 3.568 . 0 0 "[ . 1]" 1
301 1 19 MET HA 1 22 SER H 3.830 . 3.830 3.434 3.237 3.512 . 0 0 "[ . 1]" 1
302 1 19 MET HA 1 22 SER QB 4.410 . 4.410 2.574 2.440 2.740 . 0 0 "[ . 1]" 1
303 1 19 MET HA 1 23 PHE H 5.420 . 5.420 4.443 4.003 4.986 . 0 0 "[ . 1]" 1
304 1 19 MET HB2 1 20 LEU H 2.870 . 2.870 2.297 2.195 2.447 . 0 0 "[ . 1]" 1
305 1 19 MET HB2 1 21 GLY H 4.910 . 4.910 4.610 4.510 4.749 . 0 0 "[ . 1]" 1
306 1 19 MET HB3 1 20 LEU H 3.500 . 3.500 3.111 3.061 3.208 . 0 0 "[ . 1]" 1
307 1 19 MET HB3 1 20 LEU QD 4.960 . 4.960 3.266 2.737 4.011 . 0 0 "[ . 1]" 1
308 1 19 MET HB3 1 21 GLY H 5.610 . 5.610 5.233 5.196 5.286 . 0 0 "[ . 1]" 1
309 1 19 MET HG2 1 20 LEU H 4.790 . 4.790 4.838 4.791 4.883 0.093 9 0 "[ . 1]" 1
310 1 19 MET HG3 1 20 LEU QD 5.830 . 5.830 5.024 4.433 5.757 . 0 0 "[ . 1]" 1
311 1 20 LEU H 1 21 GLY H 3.030 . 3.030 2.569 2.521 2.623 . 0 0 "[ . 1]" 1
312 1 20 LEU H 1 22 SER H 4.040 . 4.040 3.863 3.788 3.937 . 0 0 "[ . 1]" 1
313 1 20 LEU HA 1 20 LEU QD 2.510 . 2.510 2.295 2.086 2.457 . 0 0 "[ . 1]" 1
314 1 20 LEU HA 1 22 SER H 4.140 . 4.140 4.048 3.901 4.180 0.040 10 0 "[ . 1]" 1
315 1 20 LEU HA 1 23 PHE H 4.290 . 4.290 3.260 3.132 3.502 . 0 0 "[ . 1]" 1
316 1 20 LEU HA 1 23 PHE QB 5.240 . 5.240 2.645 2.369 3.334 . 0 0 "[ . 1]" 1
317 1 20 LEU HA 1 23 PHE QD 5.760 . 5.760 4.585 4.346 5.132 . 0 0 "[ . 1]" 1
318 1 20 LEU HB2 1 21 GLY H 3.380 . 3.380 2.643 2.466 2.793 . 0 0 "[ . 1]" 1
319 1 20 LEU HB2 1 22 SER H 4.990 . 4.990 4.838 4.675 4.991 0.001 10 0 "[ . 1]" 1
320 1 20 LEU HB3 1 20 LEU MD2 2.770 . 2.770 2.441 2.323 3.235 0.465 7 0 "[ . 1]" 1
321 1 20 LEU HB3 1 21 GLY H 4.060 . 4.060 3.459 3.364 3.546 . 0 0 "[ . 1]" 1
322 1 20 LEU HB3 1 21 GLY QA 6.000 . 6.000 4.063 3.979 4.172 . 0 0 "[ . 1]" 1
323 1 20 LEU HB3 1 22 SER H 5.430 . 5.430 5.243 5.171 5.325 . 0 0 "[ . 1]" 1
324 1 20 LEU HB3 1 23 PHE H 5.860 . 5.860 5.081 4.944 5.179 . 0 0 "[ . 1]" 1
325 1 20 LEU QD 1 21 GLY H 5.230 . 5.230 3.887 3.738 4.049 . 0 0 "[ . 1]" 1
326 1 20 LEU QD 1 22 SER H 5.650 . 5.650 4.983 4.708 5.241 . 0 0 "[ . 1]" 1
327 1 20 LEU QD 1 23 PHE H 5.440 . 5.440 4.719 4.307 4.897 . 0 0 "[ . 1]" 1
328 1 20 LEU QD 1 23 PHE QB 3.740 . 3.740 3.694 3.005 3.973 0.233 1 0 "[ . 1]" 1
329 1 20 LEU QD 1 23 PHE QD 5.560 . 5.560 4.792 3.959 5.061 . 0 0 "[ . 1]" 1
330 1 20 LEU MD1 1 21 GLY H 6.000 . 6.000 4.237 3.944 4.744 . 0 0 "[ . 1]" 1
331 1 20 LEU MD1 1 21 GLY QA 6.000 . 6.000 5.255 5.204 5.311 . 0 0 "[ . 1]" 1
332 1 20 LEU MD2 1 21 GLY H 6.000 . 6.000 4.605 4.040 4.714 . 0 0 "[ . 1]" 1
333 1 20 LEU MD2 1 21 GLY QA 6.000 . 6.000 5.353 5.309 5.382 . 0 0 "[ . 1]" 1
334 1 21 GLY H 1 21 GLY QA 2.600 . 2.600 2.217 2.212 2.224 . 0 0 "[ . 1]" 1
335 1 21 GLY H 1 22 SER H 3.040 . 3.040 2.524 2.500 2.572 . 0 0 "[ . 1]" 1
336 1 21 GLY H 1 22 SER HA 5.510 . 5.510 5.213 5.168 5.252 . 0 0 "[ . 1]" 1
337 1 21 GLY QA 1 23 PHE H 4.310 . 4.310 3.870 3.673 4.035 . 0 0 "[ . 1]" 1
338 1 21 GLY QA 1 24 ARG H 6.000 . 6.000 4.746 3.733 6.142 0.142 10 0 "[ . 1]" 1
339 1 22 SER H 1 22 SER QB 2.930 . 2.930 2.296 2.216 2.351 . 0 0 "[ . 1]" 1
340 1 22 SER HA 1 23 PHE H 3.560 . 3.560 3.483 3.426 3.535 . 0 0 "[ . 1]" 1
341 1 22 SER QB 1 23 PHE H 3.530 . 3.530 2.936 2.546 3.627 0.097 9 0 "[ . 1]" 1
342 1 23 PHE H 1 23 PHE HB2 3.530 . 3.530 2.523 2.431 2.713 . 0 0 "[ . 1]" 1
343 1 23 PHE H 1 23 PHE QB 2.860 . 2.860 2.258 2.215 2.327 . 0 0 "[ . 1]" 1
344 1 23 PHE H 1 23 PHE HB3 3.530 . 3.530 2.553 2.493 2.609 . 0 0 "[ . 1]" 1
345 1 23 PHE H 1 24 ARG QG 5.810 . 5.810 4.399 3.880 5.745 . 0 0 "[ . 1]" 1
346 1 23 PHE HA 1 23 PHE QD 3.790 . 3.790 2.705 2.430 2.942 . 0 0 "[ . 1]" 1
347 1 23 PHE HB3 1 24 ARG H 4.030 . 4.030 3.241 2.442 4.421 0.391 6 0 "[ . 1]" 1
348 1 23 PHE QD 1 24 ARG HG2 6.000 . 6.000 4.784 3.478 6.049 0.049 8 0 "[ . 1]" 1
349 1 23 PHE QD 1 24 ARG HG3 6.000 . 6.000 4.823 3.350 6.170 0.170 3 0 "[ . 1]" 1
350 1 24 ARG H 1 24 ARG QB 3.160 . 3.160 2.592 2.402 3.244 0.084 8 0 "[ . 1]" 1
351 1 24 ARG H 1 24 ARG QD 4.510 . 4.510 3.923 3.650 4.371 . 0 0 "[ . 1]" 1
352 1 24 ARG H 1 24 ARG QG 3.570 . 3.570 2.151 1.897 2.673 . 0 0 "[ . 1]" 1
353 1 24 ARG HA 1 25 LYS H 3.170 . 3.170 2.329 2.197 2.746 . 0 0 "[ . 1]" 1
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