NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588300 |
2mg2   |
19582 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mg2
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 347
_Distance_constraint_stats_list.Viol_count 265
_Distance_constraint_stats_list.Viol_total 195.420
_Distance_constraint_stats_list.Viol_max 0.310
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0369
_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 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.199 0.074 1 0 "[ . 1 . 2]"
1 4 ASN 0.005 0.005 6 0 "[ . 1 . 2]"
1 5 TRP 0.073 0.059 16 0 "[ . 1 . 2]"
1 6 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASP 0.032 0.020 16 0 "[ . 1 . 2]"
1 8 ILE 0.104 0.059 16 0 "[ . 1 . 2]"
1 9 THR 0.186 0.056 1 0 "[ . 1 . 2]"
1 10 ASN 0.333 0.057 3 0 "[ . 1 . 2]"
1 11 TRP 0.089 0.028 6 0 "[ . 1 . 2]"
1 12 LEU 0.170 0.060 6 0 "[ . 1 . 2]"
1 13 TRP 0.550 0.162 13 0 "[ . 1 . 2]"
1 14 TYR 1.710 0.310 10 0 "[ . 1 . 2]"
1 15 ILE 0.577 0.084 6 0 "[ . 1 . 2]"
1 16 LYS 0.397 0.076 12 0 "[ . 1 . 2]"
1 17 LEU 3.443 0.310 10 0 "[ . 1 . 2]"
1 18 PHE 0.582 0.044 12 0 "[ . 1 . 2]"
1 19 ILE 0.111 0.026 4 0 "[ . 1 . 2]"
1 20 MET 1.436 0.299 11 0 "[ . 1 . 2]"
1 21 ILE 0.281 0.024 16 0 "[ . 1 . 2]"
1 22 VAL 3.052 0.121 14 0 "[ . 1 . 2]"
1 23 GLY 1.943 0.121 14 0 "[ . 1 . 2]"
1 24 GLY 0.114 0.029 1 0 "[ . 1 . 2]"
1 25 LEU 0.150 0.031 17 0 "[ . 1 . 2]"
1 26 VAL 0.688 0.043 6 0 "[ . 1 . 2]"
1 27 LYS 1.023 0.101 1 0 "[ . 1 . 2]"
1 28 LYS 0.871 0.101 1 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 2 LYS HA 1 2 LYS QD . . 4.680 3.620 2.199 4.528 . 0 0 "[ . 1 . 2]" 1
2 1 3 LYS H 1 3 LYS QB . . 3.600 2.461 2.028 2.782 . 0 0 "[ . 1 . 2]" 1
3 1 3 LYS H 1 3 LYS QG . . 4.060 3.326 2.358 4.043 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS HA 1 3 LYS QD . . 3.800 3.042 2.134 3.871 0.071 15 0 "[ . 1 . 2]" 1
5 1 3 LYS HA 1 3 LYS QE . . 5.500 4.124 3.130 4.830 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS HA 1 3 LYS QG . . 2.910 2.419 2.099 2.984 0.074 1 0 "[ . 1 . 2]" 1
7 1 3 LYS QB 1 4 ASN H . . 3.770 2.453 2.080 3.207 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS QB 1 7 ASP QB . . 4.110 3.164 2.069 4.117 0.007 14 0 "[ . 1 . 2]" 1
9 1 3 LYS QE 1 3 LYS QG . . 3.410 2.266 2.034 2.674 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASN H 1 7 ASP QB . . 4.030 3.103 2.430 4.035 0.005 6 0 "[ . 1 . 2]" 1
11 1 4 ASN QB 1 5 TRP H . . 3.800 2.971 2.304 3.708 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASN QB 1 6 PHE H . . 4.130 2.751 2.299 3.394 . 0 0 "[ . 1 . 2]" 1
13 1 4 ASN QB 1 7 ASP H . . 4.650 3.172 2.109 4.302 . 0 0 "[ . 1 . 2]" 1
14 1 5 TRP H 1 5 TRP HB2 . . 4.110 3.577 3.548 3.608 . 0 0 "[ . 1 . 2]" 1
15 1 5 TRP H 1 5 TRP QB . . 3.610 2.382 2.314 2.453 . 0 0 "[ . 1 . 2]" 1
16 1 5 TRP H 1 5 TRP HB3 . . 4.110 2.418 2.345 2.497 . 0 0 "[ . 1 . 2]" 1
17 1 5 TRP H 1 5 TRP HD1 . . 3.480 2.359 2.139 2.514 . 0 0 "[ . 1 . 2]" 1
18 1 5 TRP H 1 5 TRP HE3 . . 5.500 5.360 5.144 5.513 0.013 2 0 "[ . 1 . 2]" 1
19 1 5 TRP H 1 6 PHE H . . 4.330 2.807 2.711 2.948 . 0 0 "[ . 1 . 2]" 1
20 1 5 TRP HA 1 5 TRP HD1 . . 5.180 4.465 4.381 4.541 . 0 0 "[ . 1 . 2]" 1
21 1 5 TRP HA 1 5 TRP HE3 . . 4.650 4.309 4.172 4.451 . 0 0 "[ . 1 . 2]" 1
22 1 5 TRP HA 1 8 ILE H . . 5.500 3.324 3.026 3.784 . 0 0 "[ . 1 . 2]" 1
23 1 5 TRP HA 1 8 ILE HB . . 4.540 3.099 2.139 4.412 . 0 0 "[ . 1 . 2]" 1
24 1 5 TRP HA 1 8 ILE MD . . 5.030 4.075 3.624 4.440 . 0 0 "[ . 1 . 2]" 1
25 1 5 TRP HA 1 8 ILE MG . . 5.230 4.285 3.738 5.289 0.059 16 0 "[ . 1 . 2]" 1
26 1 5 TRP HB2 1 6 PHE H . . 4.710 3.981 3.898 4.088 . 0 0 "[ . 1 . 2]" 1
27 1 5 TRP HB3 1 6 PHE H . . 4.710 4.023 3.936 4.154 . 0 0 "[ . 1 . 2]" 1
28 1 5 TRP HE3 1 6 PHE HA . . 4.610 3.657 3.043 4.316 . 0 0 "[ . 1 . 2]" 1
29 1 5 TRP HZ3 1 6 PHE HA . . 5.110 4.256 3.436 5.049 . 0 0 "[ . 1 . 2]" 1
30 1 6 PHE H 1 6 PHE HB2 . . 4.070 2.211 2.029 2.470 . 0 0 "[ . 1 . 2]" 1
31 1 6 PHE H 1 6 PHE QB . . 3.290 2.122 2.006 2.374 . 0 0 "[ . 1 . 2]" 1
32 1 6 PHE H 1 6 PHE HB3 . . 4.070 2.928 2.454 3.584 . 0 0 "[ . 1 . 2]" 1
33 1 6 PHE H 1 6 PHE QD . . 4.370 3.797 2.772 4.192 . 0 0 "[ . 1 . 2]" 1
34 1 6 PHE H 1 7 ASP H . . 3.840 2.807 2.685 2.931 . 0 0 "[ . 1 . 2]" 1
35 1 6 PHE HA 1 6 PHE QD . . 4.210 2.838 2.551 3.048 . 0 0 "[ . 1 . 2]" 1
36 1 7 ASP H 1 7 ASP QB . . 3.270 2.265 2.086 2.413 . 0 0 "[ . 1 . 2]" 1
37 1 7 ASP QB 1 8 ILE H . . 3.660 2.890 2.541 3.680 0.020 16 0 "[ . 1 . 2]" 1
38 1 8 ILE H 1 8 ILE HB . . 3.320 2.602 2.533 2.656 . 0 0 "[ . 1 . 2]" 1
39 1 8 ILE H 1 8 ILE MD . . 5.220 3.069 2.862 3.176 . 0 0 "[ . 1 . 2]" 1
40 1 8 ILE H 1 8 ILE HG12 . . 4.210 2.143 2.059 2.297 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE H 1 8 ILE QG . . 3.440 2.129 2.047 2.278 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE H 1 8 ILE HG13 . . 4.210 3.644 3.565 3.768 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE H 1 8 ILE MG . . 4.120 3.823 3.803 3.845 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE H 1 9 THR H . . 4.010 2.751 2.579 2.901 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE H 1 9 THR MG . . 4.710 4.237 3.996 4.722 0.012 9 0 "[ . 1 . 2]" 1
46 1 8 ILE HA 1 8 ILE MD . . 2.720 2.243 2.207 2.290 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE HA 1 8 ILE HG12 . . 4.040 3.289 3.228 3.381 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE HA 1 8 ILE HG13 . . 4.040 3.806 3.772 3.840 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE HA 1 8 ILE MG . . 3.620 2.382 2.309 2.433 . 0 0 "[ . 1 . 2]" 1
50 1 8 ILE HA 1 11 TRP QB . . 4.620 3.148 2.537 4.008 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE HA 1 11 TRP HD1 . . 4.430 2.512 2.127 3.104 . 0 0 "[ . 1 . 2]" 1
52 1 8 ILE HA 1 11 TRP HE1 . . 5.500 4.698 3.615 5.437 . 0 0 "[ . 1 . 2]" 1
53 1 8 ILE HB 1 8 ILE QG . . 2.630 2.171 2.165 2.179 . 0 0 "[ . 1 . 2]" 1
54 1 8 ILE HB 1 9 THR H . . 3.200 2.801 2.453 3.213 0.013 11 0 "[ . 1 . 2]" 1
55 1 8 ILE MD 1 11 TRP HD1 . . 4.020 3.306 2.571 3.929 . 0 0 "[ . 1 . 2]" 1
56 1 8 ILE MG 1 9 THR H . . 4.150 3.651 3.359 3.966 . 0 0 "[ . 1 . 2]" 1
57 1 8 ILE MG 1 9 THR MG . . 5.500 4.337 3.534 5.405 . 0 0 "[ . 1 . 2]" 1
58 1 8 ILE MG 1 12 LEU QB . . 5.340 3.936 3.063 4.763 . 0 0 "[ . 1 . 2]" 1
59 1 8 ILE MG 1 12 LEU HG . . 5.500 4.060 2.390 5.330 . 0 0 "[ . 1 . 2]" 1
60 1 9 THR H 1 9 THR HB . . 3.680 3.252 2.349 3.701 0.021 7 0 "[ . 1 . 2]" 1
61 1 9 THR H 1 9 THR MG . . 3.750 2.284 2.076 2.565 . 0 0 "[ . 1 . 2]" 1
62 1 9 THR H 1 10 ASN H . . 3.840 2.781 2.605 2.881 . 0 0 "[ . 1 . 2]" 1
63 1 9 THR HA 1 9 THR MG . . 3.440 2.694 2.276 3.261 . 0 0 "[ . 1 . 2]" 1
64 1 9 THR HB 1 10 ASN H . . 4.690 4.009 3.739 4.178 . 0 0 "[ . 1 . 2]" 1
65 1 9 THR MG 1 10 ASN H . . 4.800 3.509 2.367 4.237 . 0 0 "[ . 1 . 2]" 1
66 1 9 THR MG 1 12 LEU QD . . 5.440 3.860 2.801 5.496 0.056 1 0 "[ . 1 . 2]" 1
67 1 10 ASN H 1 10 ASN HB2 . . 3.760 2.403 2.054 2.717 . 0 0 "[ . 1 . 2]" 1
68 1 10 ASN H 1 10 ASN QB . . 3.130 2.237 2.027 2.520 . 0 0 "[ . 1 . 2]" 1
69 1 10 ASN H 1 10 ASN HB3 . . 3.760 3.025 2.256 3.669 . 0 0 "[ . 1 . 2]" 1
70 1 10 ASN H 1 10 ASN QD . . 4.120 3.792 2.553 4.177 0.057 3 0 "[ . 1 . 2]" 1
71 1 10 ASN QB 1 11 TRP HD1 . . 4.490 3.876 2.924 4.508 0.018 14 0 "[ . 1 . 2]" 1
72 1 10 ASN QB 1 11 TRP HE1 . . 5.030 4.691 3.998 5.058 0.028 6 0 "[ . 1 . 2]" 1
73 1 11 TRP H 1 11 TRP HB2 . . 3.960 2.431 2.304 2.557 . 0 0 "[ . 1 . 2]" 1
74 1 11 TRP H 1 11 TRP QB . . 3.380 2.395 2.277 2.508 . 0 0 "[ . 1 . 2]" 1
75 1 11 TRP H 1 11 TRP HB3 . . 3.960 3.607 3.561 3.640 . 0 0 "[ . 1 . 2]" 1
76 1 11 TRP H 1 11 TRP HD1 . . 4.410 2.824 2.306 3.240 . 0 0 "[ . 1 . 2]" 1
77 1 11 TRP H 1 12 LEU H . . 3.500 2.658 2.345 2.812 . 0 0 "[ . 1 . 2]" 1
78 1 11 TRP QB 1 12 LEU H . . 4.040 2.666 2.534 2.829 . 0 0 "[ . 1 . 2]" 1
79 1 11 TRP QB 1 12 LEU HA . . 4.330 4.009 3.919 4.060 . 0 0 "[ . 1 . 2]" 1
80 1 11 TRP HB2 1 12 LEU H . . 4.640 2.747 2.596 2.933 . 0 0 "[ . 1 . 2]" 1
81 1 11 TRP HB3 1 12 LEU H . . 4.640 3.618 3.386 3.846 . 0 0 "[ . 1 . 2]" 1
82 1 11 TRP HE3 1 14 TYR QB . . 4.380 3.625 2.444 4.389 0.009 12 0 "[ . 1 . 2]" 1
83 1 12 LEU H 1 12 LEU HB2 . . 3.930 2.207 2.037 2.598 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU H 1 12 LEU QB . . 3.100 2.172 2.016 2.545 . 0 0 "[ . 1 . 2]" 1
85 1 12 LEU H 1 12 LEU HB3 . . 3.930 3.312 2.714 3.644 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU H 1 13 TRP H . . 3.720 2.881 2.712 3.113 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU HA 1 12 LEU QD . . 3.050 2.382 1.944 3.020 . 0 0 "[ . 1 . 2]" 1
88 1 12 LEU HA 1 12 LEU HG . . 3.630 2.671 2.151 3.650 0.020 1 0 "[ . 1 . 2]" 1
89 1 12 LEU HA 1 15 ILE H . . 4.770 3.630 3.309 4.062 . 0 0 "[ . 1 . 2]" 1
90 1 12 LEU HA 1 15 ILE HB . . 3.830 3.470 2.357 3.890 0.060 6 0 "[ . 1 . 2]" 1
91 1 12 LEU HA 1 15 ILE MD . . 4.090 2.516 2.067 4.003 . 0 0 "[ . 1 . 2]" 1
92 1 12 LEU QB 1 13 TRP H . . 3.250 2.709 2.529 2.962 . 0 0 "[ . 1 . 2]" 1
93 1 13 TRP H 1 13 TRP HB2 . . 3.860 2.455 2.085 3.684 . 0 0 "[ . 1 . 2]" 1
94 1 13 TRP H 1 13 TRP QB . . 3.370 2.192 2.057 2.562 . 0 0 "[ . 1 . 2]" 1
95 1 13 TRP H 1 13 TRP HB3 . . 3.860 2.909 2.600 3.151 . 0 0 "[ . 1 . 2]" 1
96 1 13 TRP H 1 13 TRP HD1 . . 4.180 3.811 2.479 4.215 0.035 4 0 "[ . 1 . 2]" 1
97 1 13 TRP H 1 14 TYR H . . 4.110 2.790 2.556 2.920 . 0 0 "[ . 1 . 2]" 1
98 1 13 TRP HA 1 13 TRP HD1 . . 5.100 3.179 2.487 4.620 . 0 0 "[ . 1 . 2]" 1
99 1 13 TRP HA 1 13 TRP HE3 . . 4.880 4.513 4.132 4.884 0.004 18 0 "[ . 1 . 2]" 1
100 1 13 TRP HA 1 16 LYS QB . . 3.780 2.876 2.220 3.638 . 0 0 "[ . 1 . 2]" 1
101 1 13 TRP QB 1 14 TYR H . . 4.050 2.982 2.578 3.694 . 0 0 "[ . 1 . 2]" 1
102 1 13 TRP HB2 1 14 TYR H . . 4.660 3.795 3.574 4.153 . 0 0 "[ . 1 . 2]" 1
103 1 13 TRP HB3 1 14 TYR H . . 4.660 3.152 2.636 4.139 . 0 0 "[ . 1 . 2]" 1
104 1 13 TRP HE3 1 17 LEU MD1 . . 4.990 3.363 2.272 4.941 . 0 0 "[ . 1 . 2]" 1
105 1 13 TRP HE3 1 17 LEU QD . . 4.360 2.604 2.243 2.994 . 0 0 "[ . 1 . 2]" 1
106 1 13 TRP HE3 1 17 LEU MD2 . . 4.990 3.166 2.519 4.279 . 0 0 "[ . 1 . 2]" 1
107 1 13 TRP HH2 1 17 LEU QD . . 4.050 3.386 2.946 3.875 . 0 0 "[ . 1 . 2]" 1
108 1 13 TRP HZ2 1 17 LEU QD . . 4.630 4.474 3.940 4.792 0.162 13 0 "[ . 1 . 2]" 1
109 1 13 TRP HZ3 1 17 LEU MD1 . . 3.890 2.894 2.155 3.921 0.031 9 0 "[ . 1 . 2]" 1
110 1 13 TRP HZ3 1 17 LEU QD . . 3.350 2.323 1.972 2.837 . 0 0 "[ . 1 . 2]" 1
111 1 13 TRP HZ3 1 17 LEU MD2 . . 3.890 2.625 2.204 3.787 . 0 0 "[ . 1 . 2]" 1
112 1 14 TYR H 1 14 TYR HB2 . . 3.940 2.451 2.223 2.723 . 0 0 "[ . 1 . 2]" 1
113 1 14 TYR H 1 14 TYR HB3 . . 3.940 2.588 2.378 2.861 . 0 0 "[ . 1 . 2]" 1
114 1 14 TYR H 1 15 ILE H . . 3.800 2.735 2.575 2.832 . 0 0 "[ . 1 . 2]" 1
115 1 14 TYR H 1 15 ILE MD . . 4.690 4.541 3.591 4.774 0.084 6 0 "[ . 1 . 2]" 1
116 1 14 TYR H 1 17 LEU QD . . 4.730 4.464 3.700 4.845 0.115 4 0 "[ . 1 . 2]" 1
117 1 14 TYR HA 1 14 TYR QD . . 3.840 2.860 2.407 3.119 . 0 0 "[ . 1 . 2]" 1
118 1 14 TYR HA 1 14 TYR QE . . 4.930 4.638 4.524 4.757 . 0 0 "[ . 1 . 2]" 1
119 1 14 TYR HA 1 17 LEU H . . 3.910 3.433 3.018 3.797 . 0 0 "[ . 1 . 2]" 1
120 1 14 TYR HA 1 17 LEU QB . . 4.350 2.713 2.010 3.786 . 0 0 "[ . 1 . 2]" 1
121 1 14 TYR HA 1 17 LEU HG . . 4.350 3.686 2.314 4.492 0.142 6 0 "[ . 1 . 2]" 1
122 1 14 TYR QB 1 15 ILE H . . 4.290 2.696 2.518 3.043 . 0 0 "[ . 1 . 2]" 1
123 1 14 TYR QB 1 17 LEU QD . . 4.150 3.921 3.246 4.460 0.310 10 0 "[ . 1 . 2]" 1
124 1 14 TYR QD 1 15 ILE H . . 4.060 3.786 3.334 4.087 0.027 8 0 "[ . 1 . 2]" 1
125 1 14 TYR QD 1 15 ILE HA . . 4.720 3.700 3.212 4.406 . 0 0 "[ . 1 . 2]" 1
126 1 14 TYR QD 1 15 ILE QG . . 4.370 3.571 2.709 4.351 . 0 0 "[ . 1 . 2]" 1
127 1 14 TYR QD 1 17 LEU QD . . 4.380 3.313 2.379 4.009 . 0 0 "[ . 1 . 2]" 1
128 1 14 TYR QE 1 17 LEU QD . . 4.750 4.120 2.913 4.795 0.045 5 0 "[ . 1 . 2]" 1
129 1 15 ILE H 1 15 ILE HB . . 3.220 2.555 2.414 2.667 . 0 0 "[ . 1 . 2]" 1
130 1 15 ILE H 1 15 ILE MD . . 4.530 2.935 1.998 3.359 . 0 0 "[ . 1 . 2]" 1
131 1 15 ILE H 1 15 ILE HG12 . . 4.140 3.420 2.034 3.979 . 0 0 "[ . 1 . 2]" 1
132 1 15 ILE H 1 15 ILE QG . . 3.440 2.299 1.979 3.166 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE H 1 15 ILE HG13 . . 4.140 2.631 1.992 3.664 . 0 0 "[ . 1 . 2]" 1
134 1 15 ILE H 1 15 ILE MG . . 4.000 3.818 3.789 3.862 . 0 0 "[ . 1 . 2]" 1
135 1 15 ILE H 1 17 LEU H . . 4.710 4.165 3.994 4.378 . 0 0 "[ . 1 . 2]" 1
136 1 15 ILE HA 1 15 ILE MD . . 4.080 3.539 2.239 3.937 . 0 0 "[ . 1 . 2]" 1
137 1 15 ILE HA 1 15 ILE HG12 . . 3.970 3.034 2.706 3.669 . 0 0 "[ . 1 . 2]" 1
138 1 15 ILE HA 1 15 ILE QG . . 3.330 2.610 2.421 3.170 . 0 0 "[ . 1 . 2]" 1
139 1 15 ILE HA 1 15 ILE HG13 . . 3.970 2.932 2.505 3.823 . 0 0 "[ . 1 . 2]" 1
140 1 15 ILE HA 1 15 ILE MG . . 3.640 2.404 2.312 2.497 . 0 0 "[ . 1 . 2]" 1
141 1 15 ILE HA 1 17 LEU H . . 5.500 4.393 3.906 4.670 . 0 0 "[ . 1 . 2]" 1
142 1 15 ILE HA 1 18 PHE H . . 4.440 3.577 3.296 3.801 . 0 0 "[ . 1 . 2]" 1
143 1 15 ILE HA 1 18 PHE HB2 . . 4.080 3.636 3.177 3.861 . 0 0 "[ . 1 . 2]" 1
144 1 15 ILE HA 1 18 PHE QB . . 3.520 3.112 2.818 3.326 . 0 0 "[ . 1 . 2]" 1
145 1 15 ILE HA 1 18 PHE HB3 . . 4.080 3.404 3.000 3.842 . 0 0 "[ . 1 . 2]" 1
146 1 15 ILE HA 1 18 PHE QD . . 5.430 5.008 4.713 5.302 . 0 0 "[ . 1 . 2]" 1
147 1 15 ILE HA 1 19 ILE H . . 5.500 4.833 4.315 5.163 . 0 0 "[ . 1 . 2]" 1
148 1 15 ILE HB 1 16 LYS H . . 3.600 2.667 2.435 2.997 . 0 0 "[ . 1 . 2]" 1
149 1 15 ILE MD 1 16 LYS H . . 5.130 4.331 3.720 4.710 . 0 0 "[ . 1 . 2]" 1
150 1 15 ILE MG 1 16 LYS H . . 4.320 3.494 3.096 3.716 . 0 0 "[ . 1 . 2]" 1
151 1 15 ILE MG 1 16 LYS HA . . 3.880 3.710 3.433 3.879 . 0 0 "[ . 1 . 2]" 1
152 1 15 ILE MG 1 18 PHE QB . . 4.020 3.665 3.135 4.060 0.040 2 0 "[ . 1 . 2]" 1
153 1 16 LYS H 1 16 LYS QB . . 3.740 2.201 2.056 2.514 . 0 0 "[ . 1 . 2]" 1
154 1 16 LYS H 1 16 LYS QG . . 4.360 3.424 2.313 4.072 . 0 0 "[ . 1 . 2]" 1
155 1 16 LYS H 1 17 LEU H . . 3.680 2.751 2.534 2.927 . 0 0 "[ . 1 . 2]" 1
156 1 16 LYS H 1 18 PHE H . . 4.440 4.383 4.241 4.456 0.016 5 0 "[ . 1 . 2]" 1
157 1 16 LYS HA 1 16 LYS QD . . 3.860 3.187 2.176 3.936 0.076 12 0 "[ . 1 . 2]" 1
158 1 16 LYS HA 1 16 LYS HG2 . . 3.960 2.626 2.135 3.706 . 0 0 "[ . 1 . 2]" 1
159 1 16 LYS HA 1 16 LYS HG3 . . 3.960 3.116 2.217 3.789 . 0 0 "[ . 1 . 2]" 1
160 1 16 LYS HA 1 17 LEU H . . 3.540 3.538 3.498 3.557 0.017 20 0 "[ . 1 . 2]" 1
161 1 16 LYS HA 1 19 ILE H . . 4.570 3.379 3.186 3.621 . 0 0 "[ . 1 . 2]" 1
162 1 16 LYS HA 1 19 ILE HB . . 3.600 3.123 2.730 3.475 . 0 0 "[ . 1 . 2]" 1
163 1 16 LYS HA 1 19 ILE MD . . 3.090 2.394 2.183 2.612 . 0 0 "[ . 1 . 2]" 1
164 1 16 LYS HA 1 19 ILE QG . . 4.720 2.985 2.547 3.843 . 0 0 "[ . 1 . 2]" 1
165 1 16 LYS HA 1 20 MET H . . 5.280 4.428 3.991 4.836 . 0 0 "[ . 1 . 2]" 1
166 1 16 LYS QB 1 17 LEU H . . 3.570 2.815 2.593 3.130 . 0 0 "[ . 1 . 2]" 1
167 1 16 LYS QE 1 16 LYS QG . . 2.590 2.242 2.061 2.654 0.064 20 0 "[ . 1 . 2]" 1
168 1 17 LEU H 1 17 LEU HB2 . . 3.680 2.437 2.165 2.717 . 0 0 "[ . 1 . 2]" 1
169 1 17 LEU H 1 17 LEU QB . . 3.180 2.339 2.143 2.647 . 0 0 "[ . 1 . 2]" 1
170 1 17 LEU H 1 17 LEU HB3 . . 3.680 3.357 2.387 3.665 . 0 0 "[ . 1 . 2]" 1
171 1 17 LEU H 1 17 LEU MD1 . . 4.530 3.675 2.406 4.221 . 0 0 "[ . 1 . 2]" 1
172 1 17 LEU H 1 17 LEU QD . . 3.810 3.129 2.378 3.748 . 0 0 "[ . 1 . 2]" 1
173 1 17 LEU H 1 17 LEU MD2 . . 4.530 3.586 2.716 4.202 . 0 0 "[ . 1 . 2]" 1
174 1 17 LEU H 1 17 LEU HG . . 4.450 3.267 2.064 4.450 0.000 2 0 "[ . 1 . 2]" 1
175 1 17 LEU H 1 18 PHE H . . 3.820 2.841 2.645 2.950 . 0 0 "[ . 1 . 2]" 1
176 1 17 LEU H 1 19 ILE H . . 5.430 4.361 4.183 4.470 . 0 0 "[ . 1 . 2]" 1
177 1 17 LEU HA 1 17 LEU QD . . 3.580 2.171 1.951 2.313 . 0 0 "[ . 1 . 2]" 1
178 1 17 LEU HA 1 17 LEU HG . . 3.600 3.104 2.632 3.650 0.050 10 0 "[ . 1 . 2]" 1
179 1 17 LEU HA 1 20 MET QB . . 3.810 3.022 2.470 3.920 0.110 5 0 "[ . 1 . 2]" 1
180 1 17 LEU HA 1 20 MET ME . . 4.730 3.579 2.139 4.698 . 0 0 "[ . 1 . 2]" 1
181 1 17 LEU HA 1 21 ILE H . . 4.360 4.063 3.888 4.205 . 0 0 "[ . 1 . 2]" 1
182 1 17 LEU QB 1 18 PHE H . . 3.670 2.643 2.527 2.804 . 0 0 "[ . 1 . 2]" 1
183 1 17 LEU HB2 1 18 PHE H . . 4.250 3.029 2.615 4.012 . 0 0 "[ . 1 . 2]" 1
184 1 17 LEU HB3 1 18 PHE H . . 4.250 3.296 2.557 3.864 . 0 0 "[ . 1 . 2]" 1
185 1 17 LEU QD 1 18 PHE H . . 4.770 4.061 3.748 4.242 . 0 0 "[ . 1 . 2]" 1
186 1 17 LEU QD 1 20 MET H . . 5.440 4.659 4.094 4.966 . 0 0 "[ . 1 . 2]" 1
187 1 17 LEU QD 1 20 MET QB . . 4.240 3.573 2.531 4.433 0.193 3 0 "[ . 1 . 2]" 1
188 1 17 LEU QD 1 20 MET QG . . 3.890 3.390 2.524 4.189 0.299 11 0 "[ . 1 . 2]" 1
189 1 17 LEU MD1 1 18 PHE H . . 5.500 4.529 4.373 4.687 . 0 0 "[ . 1 . 2]" 1
190 1 17 LEU MD2 1 18 PHE H . . 5.500 4.615 4.054 4.845 . 0 0 "[ . 1 . 2]" 1
191 1 17 LEU HG 1 18 PHE H . . 5.250 4.506 3.442 5.242 . 0 0 "[ . 1 . 2]" 1
192 1 18 PHE H 1 18 PHE HB2 . . 3.670 2.454 2.311 2.610 . 0 0 "[ . 1 . 2]" 1
193 1 18 PHE H 1 18 PHE HB3 . . 3.670 2.591 2.461 2.762 . 0 0 "[ . 1 . 2]" 1
194 1 18 PHE H 1 18 PHE QD . . 4.440 4.206 4.105 4.242 . 0 0 "[ . 1 . 2]" 1
195 1 18 PHE H 1 19 ILE H . . 3.890 2.856 2.733 2.930 . 0 0 "[ . 1 . 2]" 1
196 1 18 PHE H 1 21 ILE H . . 5.070 4.845 4.750 5.006 . 0 0 "[ . 1 . 2]" 1
197 1 18 PHE HA 1 18 PHE QD . . 3.900 2.882 2.739 2.980 . 0 0 "[ . 1 . 2]" 1
198 1 18 PHE HA 1 18 PHE QE . . 4.930 4.665 4.511 4.779 . 0 0 "[ . 1 . 2]" 1
199 1 18 PHE HA 1 21 ILE H . . 4.700 3.541 3.370 3.764 . 0 0 "[ . 1 . 2]" 1
200 1 18 PHE HA 1 21 ILE HB . . 3.670 2.691 2.445 2.937 . 0 0 "[ . 1 . 2]" 1
201 1 18 PHE HA 1 21 ILE MG . . 4.240 4.041 3.846 4.220 . 0 0 "[ . 1 . 2]" 1
202 1 18 PHE HA 1 22 VAL H . . 4.590 3.740 3.523 3.964 . 0 0 "[ . 1 . 2]" 1
203 1 18 PHE HA 1 22 VAL MG2 . . 4.600 3.563 3.364 3.777 . 0 0 "[ . 1 . 2]" 1
204 1 18 PHE QB 1 19 ILE H . . 3.630 2.577 2.492 2.670 . 0 0 "[ . 1 . 2]" 1
205 1 18 PHE HB2 1 19 ILE H . . 4.340 3.888 3.758 3.944 . 0 0 "[ . 1 . 2]" 1
206 1 18 PHE HB3 1 19 ILE H . . 4.340 2.616 2.525 2.715 . 0 0 "[ . 1 . 2]" 1
207 1 18 PHE QD 1 19 ILE H . . 4.560 3.500 3.244 3.785 . 0 0 "[ . 1 . 2]" 1
208 1 18 PHE QD 1 19 ILE HA . . 4.480 3.478 3.292 3.651 . 0 0 "[ . 1 . 2]" 1
209 1 18 PHE QD 1 19 ILE MD . . 5.500 4.781 4.391 5.221 . 0 0 "[ . 1 . 2]" 1
210 1 18 PHE QD 1 19 ILE HG12 . . 4.410 3.715 3.363 4.061 . 0 0 "[ . 1 . 2]" 1
211 1 18 PHE QD 1 19 ILE QG . . 3.730 3.242 2.858 3.681 . 0 0 "[ . 1 . 2]" 1
212 1 18 PHE QD 1 19 ILE HG13 . . 4.410 3.609 3.018 4.293 . 0 0 "[ . 1 . 2]" 1
213 1 18 PHE QD 1 19 ILE MG . . 4.940 4.869 4.661 4.966 0.026 4 0 "[ . 1 . 2]" 1
214 1 18 PHE QD 1 21 ILE MG . . 5.500 4.722 4.447 5.074 . 0 0 "[ . 1 . 2]" 1
215 1 18 PHE QD 1 22 VAL MG1 . . 4.870 4.653 4.364 4.800 . 0 0 "[ . 1 . 2]" 1
216 1 18 PHE QD 1 22 VAL MG2 . . 4.250 3.159 2.774 3.348 . 0 0 "[ . 1 . 2]" 1
217 1 18 PHE QE 1 22 VAL MG1 . . 3.680 3.673 3.512 3.724 0.044 12 0 "[ . 1 . 2]" 1
218 1 18 PHE QE 1 22 VAL MG2 . . 4.090 2.654 2.298 2.837 . 0 0 "[ . 1 . 2]" 1
219 1 18 PHE HZ 1 22 VAL MG1 . . 5.500 4.291 3.664 5.139 . 0 0 "[ . 1 . 2]" 1
220 1 18 PHE HZ 1 22 VAL MG2 . . 4.610 2.922 2.728 3.455 . 0 0 "[ . 1 . 2]" 1
221 1 19 ILE H 1 19 ILE HB . . 3.330 2.665 2.542 2.778 . 0 0 "[ . 1 . 2]" 1
222 1 19 ILE H 1 19 ILE MD . . 3.870 3.526 3.288 3.611 . 0 0 "[ . 1 . 2]" 1
223 1 19 ILE H 1 19 ILE HG12 . . 3.820 3.332 3.129 3.679 . 0 0 "[ . 1 . 2]" 1
224 1 19 ILE H 1 19 ILE QG . . 3.240 2.025 1.933 2.231 . 0 0 "[ . 1 . 2]" 1
225 1 19 ILE H 1 19 ILE HG13 . . 3.820 2.043 1.951 2.250 . 0 0 "[ . 1 . 2]" 1
226 1 19 ILE H 1 19 ILE MG . . 3.940 3.834 3.820 3.853 . 0 0 "[ . 1 . 2]" 1
227 1 19 ILE H 1 20 MET H . . 3.740 2.836 2.731 2.989 . 0 0 "[ . 1 . 2]" 1
228 1 19 ILE H 1 21 ILE H . . 4.370 4.321 4.255 4.384 0.014 17 0 "[ . 1 . 2]" 1
229 1 19 ILE HA 1 19 ILE HG12 . . 3.600 2.669 2.629 2.740 . 0 0 "[ . 1 . 2]" 1
230 1 19 ILE HA 1 19 ILE HG13 . . 3.600 3.087 2.813 3.227 . 0 0 "[ . 1 . 2]" 1
231 1 19 ILE HA 1 19 ILE MG . . 3.120 2.349 2.238 2.422 . 0 0 "[ . 1 . 2]" 1
232 1 19 ILE HA 1 21 ILE H . . 4.800 4.618 4.394 4.778 . 0 0 "[ . 1 . 2]" 1
233 1 19 ILE HB 1 20 MET H . . 4.060 2.649 2.507 2.737 . 0 0 "[ . 1 . 2]" 1
234 1 19 ILE MD 1 20 MET H . . 5.500 4.549 4.427 4.653 . 0 0 "[ . 1 . 2]" 1
235 1 19 ILE MG 1 20 MET H . . 4.440 3.546 3.375 3.669 . 0 0 "[ . 1 . 2]" 1
236 1 19 ILE MG 1 20 MET HA . . 4.450 3.655 3.495 3.884 . 0 0 "[ . 1 . 2]" 1
237 1 20 MET H 1 20 MET HB2 . . 3.850 2.824 2.360 3.688 . 0 0 "[ . 1 . 2]" 1
238 1 20 MET H 1 20 MET QB . . 3.270 2.503 2.330 2.633 . 0 0 "[ . 1 . 2]" 1
239 1 20 MET H 1 20 MET HB3 . . 3.850 3.377 2.542 3.682 . 0 0 "[ . 1 . 2]" 1
240 1 20 MET H 1 20 MET HG2 . . 4.250 2.643 2.153 3.330 . 0 0 "[ . 1 . 2]" 1
241 1 20 MET H 1 20 MET QG . . 3.520 2.321 2.121 2.544 . 0 0 "[ . 1 . 2]" 1
242 1 20 MET H 1 20 MET HG3 . . 4.250 2.945 2.241 3.496 . 0 0 "[ . 1 . 2]" 1
243 1 20 MET H 1 21 ILE H . . 3.720 2.774 2.660 2.846 . 0 0 "[ . 1 . 2]" 1
244 1 20 MET H 1 22 VAL H . . 5.330 4.514 4.417 4.579 . 0 0 "[ . 1 . 2]" 1
245 1 20 MET HA 1 20 MET HG2 . . 4.170 2.822 2.259 3.793 . 0 0 "[ . 1 . 2]" 1
246 1 20 MET HA 1 20 MET QG . . 3.540 2.679 2.212 3.351 . 0 0 "[ . 1 . 2]" 1
247 1 20 MET HA 1 20 MET HG3 . . 4.170 3.598 3.163 3.786 . 0 0 "[ . 1 . 2]" 1
248 1 20 MET HA 1 23 GLY H . . 5.250 3.665 3.536 3.840 . 0 0 "[ . 1 . 2]" 1
249 1 20 MET QB 1 20 MET ME . . 4.310 2.746 2.215 3.629 . 0 0 "[ . 1 . 2]" 1
250 1 20 MET QB 1 21 ILE H . . 3.690 2.823 2.394 3.632 . 0 0 "[ . 1 . 2]" 1
251 1 20 MET HB2 1 21 ILE H . . 4.240 2.962 2.432 4.025 . 0 0 "[ . 1 . 2]" 1
252 1 20 MET HB3 1 21 ILE H . . 4.240 3.736 3.420 4.161 . 0 0 "[ . 1 . 2]" 1
253 1 20 MET QG 1 21 ILE H . . 5.340 3.645 2.310 4.240 . 0 0 "[ . 1 . 2]" 1
254 1 21 ILE H 1 21 ILE HB . . 3.280 2.429 2.383 2.474 . 0 0 "[ . 1 . 2]" 1
255 1 21 ILE H 1 21 ILE HG12 . . 3.980 3.702 3.555 3.797 . 0 0 "[ . 1 . 2]" 1
256 1 21 ILE H 1 21 ILE QG . . 3.380 2.295 2.163 2.410 . 0 0 "[ . 1 . 2]" 1
257 1 21 ILE H 1 21 ILE HG13 . . 3.980 2.318 2.182 2.438 . 0 0 "[ . 1 . 2]" 1
258 1 21 ILE H 1 21 ILE MG . . 3.770 3.783 3.774 3.794 0.024 16 0 "[ . 1 . 2]" 1
259 1 21 ILE H 1 22 VAL H . . 3.620 2.839 2.696 2.918 . 0 0 "[ . 1 . 2]" 1
260 1 21 ILE H 1 22 VAL MG2 . . 4.800 4.458 4.308 4.559 . 0 0 "[ . 1 . 2]" 1
261 1 21 ILE H 1 23 GLY H . . 4.180 4.031 3.981 4.089 . 0 0 "[ . 1 . 2]" 1
262 1 21 ILE HA 1 21 ILE HG12 . . 3.750 2.684 2.635 2.752 . 0 0 "[ . 1 . 2]" 1
263 1 21 ILE HA 1 21 ILE QG . . 3.270 2.446 2.413 2.470 . 0 0 "[ . 1 . 2]" 1
264 1 21 ILE HA 1 21 ILE HG13 . . 3.750 2.820 2.774 2.914 . 0 0 "[ . 1 . 2]" 1
265 1 21 ILE HA 1 21 ILE MG . . 2.970 2.462 2.404 2.500 . 0 0 "[ . 1 . 2]" 1
266 1 21 ILE HA 1 24 GLY H . . 4.600 3.909 3.760 4.048 . 0 0 "[ . 1 . 2]" 1
267 1 21 ILE HA 1 25 LEU H . . 5.070 4.471 4.308 4.606 . 0 0 "[ . 1 . 2]" 1
268 1 21 ILE HB 1 21 ILE MD . . 2.620 2.308 2.256 2.335 . 0 0 "[ . 1 . 2]" 1
269 1 21 ILE HB 1 22 VAL H . . 3.470 2.437 2.408 2.476 . 0 0 "[ . 1 . 2]" 1
270 1 21 ILE HB 1 22 VAL MG2 . . 3.770 3.245 3.161 3.366 . 0 0 "[ . 1 . 2]" 1
271 1 21 ILE QG 1 22 VAL H . . 4.410 4.166 4.127 4.194 . 0 0 "[ . 1 . 2]" 1
272 1 21 ILE MG 1 22 VAL H . . 3.760 3.089 3.058 3.144 . 0 0 "[ . 1 . 2]" 1
273 1 21 ILE MG 1 22 VAL HA . . 3.620 3.366 3.301 3.423 . 0 0 "[ . 1 . 2]" 1
274 1 21 ILE MG 1 22 VAL MG2 . . 5.500 3.063 2.803 3.208 . 0 0 "[ . 1 . 2]" 1
275 1 21 ILE MG 1 23 GLY H . . 5.200 4.953 4.871 5.056 . 0 0 "[ . 1 . 2]" 1
276 1 22 VAL H 1 22 VAL HB . . 3.400 2.542 2.469 2.595 . 0 0 "[ . 1 . 2]" 1
277 1 22 VAL H 1 22 VAL MG1 . . 4.060 3.827 3.800 3.840 . 0 0 "[ . 1 . 2]" 1
278 1 22 VAL H 1 22 VAL MG2 . . 3.350 2.224 2.166 2.389 . 0 0 "[ . 1 . 2]" 1
279 1 22 VAL H 1 23 GLY H . . 3.710 2.741 2.678 2.830 . 0 0 "[ . 1 . 2]" 1
280 1 22 VAL H 1 24 GLY H . . 5.300 4.311 4.219 4.378 . 0 0 "[ . 1 . 2]" 1
281 1 22 VAL HA 1 22 VAL MG1 . . 3.280 2.426 2.376 2.493 . 0 0 "[ . 1 . 2]" 1
282 1 22 VAL HA 1 22 VAL MG2 . . 3.120 2.335 2.292 2.422 . 0 0 "[ . 1 . 2]" 1
283 1 22 VAL HA 1 24 GLY H . . 3.840 3.832 3.762 3.869 0.029 1 0 "[ . 1 . 2]" 1
284 1 22 VAL HA 1 25 LEU H . . 4.180 2.931 2.867 3.025 . 0 0 "[ . 1 . 2]" 1
285 1 22 VAL HA 1 25 LEU HB2 . . 4.090 2.349 2.280 2.437 . 0 0 "[ . 1 . 2]" 1
286 1 22 VAL HA 1 25 LEU QB . . 3.380 2.334 2.266 2.420 . 0 0 "[ . 1 . 2]" 1
287 1 22 VAL HA 1 25 LEU HB3 . . 4.090 4.012 3.917 4.103 0.013 8 0 "[ . 1 . 2]" 1
288 1 22 VAL HA 1 25 LEU HG . . 4.100 4.049 3.873 4.131 0.031 17 0 "[ . 1 . 2]" 1
289 1 22 VAL HA 1 26 VAL H . . 4.420 3.251 3.184 3.379 . 0 0 "[ . 1 . 2]" 1
290 1 22 VAL HA 1 26 VAL HB . . 4.490 3.923 3.879 3.991 . 0 0 "[ . 1 . 2]" 1
291 1 22 VAL HA 1 26 VAL MG1 . . 4.870 4.566 4.491 4.694 . 0 0 "[ . 1 . 2]" 1
292 1 22 VAL HA 1 26 VAL MG2 . . 5.170 5.194 5.177 5.213 0.043 6 0 "[ . 1 . 2]" 1
293 1 22 VAL HB 1 23 GLY H . . 3.790 2.857 2.761 2.955 . 0 0 "[ . 1 . 2]" 1
294 1 22 VAL HB 1 23 GLY HA2 . . 4.340 4.437 4.421 4.461 0.121 14 0 "[ . 1 . 2]" 1
295 1 22 VAL MG1 1 23 GLY HA2 . . 4.380 3.723 3.591 3.816 . 0 0 "[ . 1 . 2]" 1
296 1 22 VAL MG1 1 25 LEU QB . . 5.340 3.717 3.623 3.814 . 0 0 "[ . 1 . 2]" 1
297 1 22 VAL MG1 1 26 VAL H . . 4.170 3.323 3.215 3.432 . 0 0 "[ . 1 . 2]" 1
298 1 22 VAL MG1 1 26 VAL MG1 . . 5.500 3.192 3.091 3.311 . 0 0 "[ . 1 . 2]" 1
299 1 22 VAL MG1 1 26 VAL MG2 . . 3.060 3.033 2.912 3.072 0.012 12 0 "[ . 1 . 2]" 1
300 1 22 VAL MG2 1 23 GLY H . . 4.320 4.036 4.008 4.063 . 0 0 "[ . 1 . 2]" 1
301 1 22 VAL MG2 1 26 VAL MG1 . . 5.500 5.248 5.139 5.336 . 0 0 "[ . 1 . 2]" 1
302 1 22 VAL MG2 1 26 VAL MG2 . . 5.500 5.016 4.930 5.097 . 0 0 "[ . 1 . 2]" 1
303 1 23 GLY H 1 24 GLY H . . 3.890 2.891 2.840 2.926 . 0 0 "[ . 1 . 2]" 1
304 1 23 GLY HA2 1 25 LEU H . . 5.410 4.705 4.636 4.863 . 0 0 "[ . 1 . 2]" 1
305 1 23 GLY HA2 1 26 VAL HB . . 4.360 4.271 4.159 4.332 . 0 0 "[ . 1 . 2]" 1
306 1 24 GLY H 1 25 LEU H . . 3.700 2.195 2.129 2.271 . 0 0 "[ . 1 . 2]" 1
307 1 25 LEU H 1 25 LEU HB2 . . 3.830 2.432 2.400 2.475 . 0 0 "[ . 1 . 2]" 1
308 1 25 LEU H 1 25 LEU QB . . 3.340 2.397 2.368 2.438 . 0 0 "[ . 1 . 2]" 1
309 1 25 LEU H 1 25 LEU HB3 . . 3.830 3.643 3.622 3.667 . 0 0 "[ . 1 . 2]" 1
310 1 25 LEU H 1 25 LEU MD1 . . 5.500 3.881 3.788 3.984 . 0 0 "[ . 1 . 2]" 1
311 1 25 LEU H 1 25 LEU QD . . 4.500 3.324 3.255 3.372 . 0 0 "[ . 1 . 2]" 1
312 1 25 LEU H 1 25 LEU MD2 . . 5.500 3.619 3.492 3.757 . 0 0 "[ . 1 . 2]" 1
313 1 25 LEU H 1 25 LEU HG . . 3.510 2.707 2.626 2.798 . 0 0 "[ . 1 . 2]" 1
314 1 25 LEU H 1 26 VAL H . . 3.650 2.531 2.462 2.671 . 0 0 "[ . 1 . 2]" 1
315 1 25 LEU HA 1 25 LEU QD . . 3.210 2.107 2.082 2.127 . 0 0 "[ . 1 . 2]" 1
316 1 25 LEU HA 1 25 LEU HG . . 3.960 3.155 3.072 3.250 . 0 0 "[ . 1 . 2]" 1
317 1 25 LEU HA 1 28 LYS QE . . 5.500 4.464 3.021 5.241 . 0 0 "[ . 1 . 2]" 1
318 1 25 LEU QB 1 26 VAL H . . 3.490 3.049 2.888 3.165 . 0 0 "[ . 1 . 2]" 1
319 1 25 LEU HB2 1 26 VAL H . . 4.200 3.171 2.986 3.303 . 0 0 "[ . 1 . 2]" 1
320 1 25 LEU HB3 1 26 VAL H . . 4.200 3.957 3.839 4.054 . 0 0 "[ . 1 . 2]" 1
321 1 25 LEU QD 1 26 VAL H . . 4.520 4.395 4.321 4.445 . 0 0 "[ . 1 . 2]" 1
322 1 25 LEU MD1 1 26 VAL H . . 5.500 5.027 4.889 5.123 . 0 0 "[ . 1 . 2]" 1
323 1 25 LEU MD2 1 26 VAL H . . 5.500 4.851 4.796 4.900 . 0 0 "[ . 1 . 2]" 1
324 1 25 LEU HG 1 26 VAL H . . 5.260 4.790 4.681 4.855 . 0 0 "[ . 1 . 2]" 1
325 1 26 VAL H 1 26 VAL HB . . 3.450 2.408 2.357 2.447 . 0 0 "[ . 1 . 2]" 1
326 1 26 VAL H 1 26 VAL MG1 . . 3.300 2.310 2.265 2.359 . 0 0 "[ . 1 . 2]" 1
327 1 26 VAL H 1 26 VAL MG2 . . 3.840 3.771 3.748 3.804 . 0 0 "[ . 1 . 2]" 1
328 1 26 VAL H 1 27 LYS H . . 3.710 2.738 2.579 2.803 . 0 0 "[ . 1 . 2]" 1
329 1 26 VAL HA 1 26 VAL MG1 . . 3.450 3.275 3.267 3.282 . 0 0 "[ . 1 . 2]" 1
330 1 26 VAL HA 1 26 VAL MG2 . . 3.190 2.307 2.253 2.367 . 0 0 "[ . 1 . 2]" 1
331 1 26 VAL HB 1 27 LYS H . . 4.180 3.954 3.900 4.004 . 0 0 "[ . 1 . 2]" 1
332 1 26 VAL HB 1 27 LYS QB . . 5.500 5.491 5.432 5.525 0.025 16 0 "[ . 1 . 2]" 1
333 1 26 VAL MG1 1 27 LYS H . . 3.090 2.342 2.237 2.413 . 0 0 "[ . 1 . 2]" 1
334 1 26 VAL MG1 1 27 LYS HA . . 4.730 3.559 3.477 3.670 . 0 0 "[ . 1 . 2]" 1
335 1 26 VAL MG2 1 27 LYS H . . 5.500 3.910 3.829 4.016 . 0 0 "[ . 1 . 2]" 1
336 1 27 LYS H 1 27 LYS QB . . 3.550 2.532 2.448 2.638 . 0 0 "[ . 1 . 2]" 1
337 1 27 LYS H 1 27 LYS QG . . 2.650 2.216 1.990 2.381 . 0 0 "[ . 1 . 2]" 1
338 1 27 LYS HA 1 27 LYS QD . . 4.580 4.061 3.664 4.596 0.016 1 0 "[ . 1 . 2]" 1
339 1 27 LYS HA 1 27 LYS QG . . 3.930 3.434 3.331 3.523 . 0 0 "[ . 1 . 2]" 1
340 1 27 LYS QD 1 28 LYS H . . 4.120 3.707 2.857 4.221 0.101 1 0 "[ . 1 . 2]" 1
341 1 27 LYS QD 1 28 LYS HA . . 5.010 4.082 2.981 5.100 0.090 4 0 "[ . 1 . 2]" 1
342 1 27 LYS QG 1 28 LYS H . . 5.500 2.542 2.263 2.973 . 0 0 "[ . 1 . 2]" 1
343 1 27 LYS QG 1 28 LYS HA . . 4.350 3.876 3.130 4.441 0.091 14 0 "[ . 1 . 2]" 1
344 1 28 LYS H 1 28 LYS QB . . 3.400 2.687 2.224 3.374 . 0 0 "[ . 1 . 2]" 1
345 1 28 LYS H 1 28 LYS QG . . 2.850 2.687 2.437 2.871 0.021 3 0 "[ . 1 . 2]" 1
346 1 28 LYS HA 1 28 LYS QE . . 5.500 4.145 1.932 5.518 0.018 16 0 "[ . 1 . 2]" 1
347 1 28 LYS HA 1 28 LYS QG . . 3.710 2.616 2.114 3.477 . 0 0 "[ . 1 . 2]" 1
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