NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651035 |
6trp   |
34469 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6trp
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 763
_Distance_constraint_stats_list.Viol_count 2283
_Distance_constraint_stats_list.Viol_total 2487.368
_Distance_constraint_stats_list.Viol_max 0.121
_Distance_constraint_stats_list.Viol_rms 0.0214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0545
_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 1.971 0.089 4 0 "[ . 1 . 2]"
1 2 ASN 2.747 0.089 4 0 "[ . 1 . 2]"
1 3 ILE 5.561 0.096 8 0 "[ . 1 . 2]"
1 4 ASN 5.486 0.096 9 0 "[ . 1 . 2]"
1 5 GLU 3.058 0.086 16 0 "[ . 1 . 2]"
1 6 GLN 6.445 0.096 8 0 "[ . 1 . 2]"
1 7 THR 12.038 0.101 18 0 "[ . 1 . 2]"
1 8 LEU 9.391 0.098 17 0 "[ . 1 . 2]"
1 9 ASP 5.662 0.097 1 0 "[ . 1 . 2]"
1 10 LYS 8.960 0.109 19 0 "[ . 1 . 2]"
1 11 LEU 14.614 0.121 6 0 "[ . 1 . 2]"
1 12 ARG 11.822 0.111 17 0 "[ . 1 . 2]"
1 13 GLN 9.954 0.092 16 0 "[ . 1 . 2]"
1 14 ALA 2.397 0.078 11 0 "[ . 1 . 2]"
1 15 VAL 5.255 0.121 6 0 "[ . 1 . 2]"
1 16 LEU 10.291 0.111 17 0 "[ . 1 . 2]"
1 17 GLN 4.853 0.083 15 0 "[ . 1 . 2]"
1 18 LYS 7.982 0.095 16 0 "[ . 1 . 2]"
1 19 LYS 6.007 0.112 18 0 "[ . 1 . 2]"
1 20 ILE 6.672 0.094 9 0 "[ . 1 . 2]"
1 21 LYS 8.172 0.105 12 0 "[ . 1 . 2]"
1 22 GLU 11.592 0.091 3 0 "[ . 1 . 2]"
1 23 ARG 6.802 0.091 3 0 "[ . 1 . 2]"
1 24 ILE 7.767 0.105 12 0 "[ . 1 . 2]"
1 25 GLN 9.241 0.103 2 0 "[ . 1 . 2]"
1 26 ASN 7.752 0.091 17 0 "[ . 1 . 2]"
1 27 SER 5.563 0.096 9 0 "[ . 1 . 2]"
1 28 LEU 9.555 0.096 9 0 "[ . 1 . 2]"
1 29 SER 6.137 0.091 2 0 "[ . 1 . 2]"
1 30 THR 6.481 0.105 16 0 "[ . 1 . 2]"
1 31 GLU 3.029 0.096 8 0 "[ . 1 . 2]"
1 32 LYS 5.024 0.105 16 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 MET HA 1 1 MET QG . . 3.630 2.791 1.977 3.550 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 ASN HA . . 4.900 4.610 4.394 4.800 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET QB 1 2 ASN HA . . 4.870 4.079 3.564 4.693 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 2 ASN HD21 . . 5.500 4.234 3.032 5.500 0.000 14 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 2 ASN HD22 . . 4.710 4.353 3.513 4.794 0.084 3 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 3 ILE H . . 5.480 5.198 4.564 5.562 0.082 13 0 "[ . 1 . 2]" 1
7 1 1 MET QG 1 2 ASN HA . . 5.500 5.008 3.408 5.589 0.089 4 0 "[ . 1 . 2]" 1
8 1 2 ASN HA 1 2 ASN HD21 . . 4.020 3.459 2.203 4.082 0.062 20 0 "[ . 1 . 2]" 1
9 1 2 ASN HA 1 2 ASN HD22 . . 4.290 4.071 3.373 4.359 0.069 13 0 "[ . 1 . 2]" 1
10 1 2 ASN HA 1 3 ILE H . . 3.060 2.498 2.114 3.128 0.068 15 0 "[ . 1 . 2]" 1
11 1 2 ASN HA 1 3 ILE HA . . 4.420 4.392 4.219 4.486 0.066 8 0 "[ . 1 . 2]" 1
12 1 2 ASN HA 1 3 ILE HB . . 5.030 4.576 4.223 4.949 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASN QB 1 2 ASN HD21 . . 2.940 2.390 2.213 2.765 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASN QB 1 2 ASN HD22 . . 3.390 3.382 3.313 3.463 0.073 18 0 "[ . 1 . 2]" 1
15 1 2 ASN QB 1 3 ILE H . . 4.300 3.350 1.784 4.019 . 0 0 "[ . 1 . 2]" 1
16 1 3 ILE H 1 3 ILE HB . . 3.540 2.810 2.183 3.591 0.051 12 0 "[ . 1 . 2]" 1
17 1 3 ILE H 1 3 ILE MG . . 3.290 2.489 2.032 2.820 . 0 0 "[ . 1 . 2]" 1
18 1 3 ILE HA 1 3 ILE MD . . 3.680 3.013 2.061 3.706 0.026 18 0 "[ . 1 . 2]" 1
19 1 3 ILE HA 1 3 ILE HG12 . . 3.750 3.368 2.968 3.772 0.022 12 0 "[ . 1 . 2]" 1
20 1 3 ILE HA 1 3 ILE QG . . 3.270 2.458 2.116 3.040 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE HA 1 3 ILE HG13 . . 3.750 2.532 2.148 3.206 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE HA 1 3 ILE MG . . 3.340 3.255 3.223 3.290 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE HA 1 4 ASN H . . 3.120 2.263 2.031 2.474 . 0 0 "[ . 1 . 2]" 1
24 1 3 ILE HA 1 4 ASN HA . . 4.610 4.470 4.327 4.605 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE HA 1 4 ASN QB . . 4.660 4.322 4.127 4.500 . 0 0 "[ . 1 . 2]" 1
26 1 3 ILE HA 1 4 ASN HD22 . . 5.500 5.521 5.256 5.581 0.081 3 0 "[ . 1 . 2]" 1
27 1 3 ILE HA 1 5 GLU H . . 4.410 4.201 3.787 4.472 0.062 14 0 "[ . 1 . 2]" 1
28 1 3 ILE HA 1 7 THR H . . 5.500 5.557 5.498 5.579 0.079 12 0 "[ . 1 . 2]" 1
29 1 3 ILE HB 1 3 ILE MD . . 3.070 2.315 2.179 2.473 . 0 0 "[ . 1 . 2]" 1
30 1 3 ILE MD 1 6 GLN HB2 . . 3.950 2.858 2.103 3.955 0.005 10 0 "[ . 1 . 2]" 1
31 1 3 ILE MD 1 6 GLN HE21 . . 3.560 2.988 2.085 3.633 0.073 16 0 "[ . 1 . 2]" 1
32 1 3 ILE MD 1 6 GLN QE . . 3.070 2.615 2.037 3.107 0.037 9 0 "[ . 1 . 2]" 1
33 1 3 ILE MD 1 6 GLN HE22 . . 3.560 3.045 2.520 3.639 0.079 12 0 "[ . 1 . 2]" 1
34 1 3 ILE MD 1 6 GLN QG . . 4.110 3.403 2.281 4.206 0.096 8 0 "[ . 1 . 2]" 1
35 1 3 ILE QG 1 3 ILE MG . . 2.650 2.240 2.050 2.437 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE QG 1 4 ASN H . . 3.330 2.274 1.935 2.859 . 0 0 "[ . 1 . 2]" 1
37 1 3 ILE QG 1 4 ASN HD22 . . 5.340 5.031 4.384 5.388 0.048 2 0 "[ . 1 . 2]" 1
38 1 3 ILE QG 1 5 GLU H . . 4.540 2.919 2.614 3.282 . 0 0 "[ . 1 . 2]" 1
39 1 3 ILE QG 1 5 GLU QG . . 5.340 4.334 3.765 5.056 . 0 0 "[ . 1 . 2]" 1
40 1 3 ILE QG 1 6 GLN H . . 3.990 1.960 1.693 2.229 . 0 0 "[ . 1 . 2]" 1
41 1 3 ILE QG 1 6 GLN HA . . 4.580 4.292 3.931 4.566 . 0 0 "[ . 1 . 2]" 1
42 1 3 ILE QG 1 6 GLN QG . . 4.300 3.518 2.314 4.373 0.073 18 0 "[ . 1 . 2]" 1
43 1 3 ILE QG 1 7 THR H . . 4.090 3.536 2.995 3.964 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE HG12 1 3 ILE MG . . 3.260 2.352 2.252 2.513 . 0 0 "[ . 1 . 2]" 1
45 1 3 ILE HG12 1 4 ASN H . . 4.060 3.112 2.172 4.107 0.047 2 0 "[ . 1 . 2]" 1
46 1 3 ILE HG12 1 5 GLU H . . 5.210 3.701 2.788 4.859 . 0 0 "[ . 1 . 2]" 1
47 1 3 ILE HG12 1 6 GLN H . . 4.830 2.370 1.782 3.352 . 0 0 "[ . 1 . 2]" 1
48 1 3 ILE HG13 1 3 ILE MG . . 3.260 2.938 2.359 3.278 0.018 5 0 "[ . 1 . 2]" 1
49 1 3 ILE HG13 1 4 ASN H . . 4.060 2.455 1.946 3.106 . 0 0 "[ . 1 . 2]" 1
50 1 3 ILE HG13 1 5 GLU H . . 5.210 3.305 2.811 4.002 . 0 0 "[ . 1 . 2]" 1
51 1 3 ILE HG13 1 6 GLN H . . 4.830 2.927 1.716 3.861 . 0 0 "[ . 1 . 2]" 1
52 1 3 ILE MG 1 4 ASN HA . . 4.130 3.872 3.355 4.226 0.096 9 0 "[ . 1 . 2]" 1
53 1 3 ILE MG 1 5 GLU H . . 4.870 4.461 4.030 4.783 . 0 0 "[ . 1 . 2]" 1
54 1 3 ILE MG 1 6 GLN H . . 4.050 3.089 2.741 3.312 . 0 0 "[ . 1 . 2]" 1
55 1 3 ILE MG 1 6 GLN HA . . 4.450 4.414 4.094 4.529 0.079 12 0 "[ . 1 . 2]" 1
56 1 3 ILE MG 1 6 GLN HB2 . . 3.320 2.303 1.975 3.087 . 0 0 "[ . 1 . 2]" 1
57 1 3 ILE MG 1 6 GLN QG . . 3.850 3.626 2.882 3.924 0.074 3 0 "[ . 1 . 2]" 1
58 1 3 ILE MG 1 7 THR H . . 3.850 2.898 2.264 3.436 . 0 0 "[ . 1 . 2]" 1
59 1 3 ILE MG 1 7 THR HA . . 4.700 4.145 3.644 4.784 0.084 5 0 "[ . 1 . 2]" 1
60 1 4 ASN H 1 4 ASN QB . . 3.240 3.074 2.762 3.258 0.018 15 0 "[ . 1 . 2]" 1
61 1 4 ASN H 1 4 ASN HD21 . . 4.300 4.050 3.786 4.257 . 0 0 "[ . 1 . 2]" 1
62 1 4 ASN H 1 4 ASN HD22 . . 4.790 3.845 3.613 4.153 . 0 0 "[ . 1 . 2]" 1
63 1 4 ASN H 1 5 GLU H . . 5.480 2.115 1.830 2.413 . 0 0 "[ . 1 . 2]" 1
64 1 4 ASN H 1 5 GLU QB . . 4.300 3.891 3.562 4.301 0.001 9 0 "[ . 1 . 2]" 1
65 1 4 ASN H 1 5 GLU QG . . 4.880 4.070 3.383 4.846 . 0 0 "[ . 1 . 2]" 1
66 1 4 ASN H 1 6 GLN H . . 5.500 3.357 2.866 3.946 . 0 0 "[ . 1 . 2]" 1
67 1 4 ASN H 1 7 THR H . . 5.120 4.126 3.670 4.679 . 0 0 "[ . 1 . 2]" 1
68 1 4 ASN H 1 7 THR HB . . 5.490 5.067 4.797 5.463 . 0 0 "[ . 1 . 2]" 1
69 1 4 ASN HA 1 4 ASN QB . . 2.710 2.160 2.138 2.202 . 0 0 "[ . 1 . 2]" 1
70 1 4 ASN HA 1 4 ASN HD21 . . 4.150 4.200 4.108 4.223 0.073 12 0 "[ . 1 . 2]" 1
71 1 4 ASN HA 1 5 GLU H . . 3.550 3.592 3.542 3.616 0.066 14 0 "[ . 1 . 2]" 1
72 1 4 ASN HA 1 5 GLU QG . . 5.500 5.305 5.042 5.510 0.010 20 0 "[ . 1 . 2]" 1
73 1 4 ASN HA 1 6 GLN H . . 4.410 4.340 4.097 4.476 0.066 1 0 "[ . 1 . 2]" 1
74 1 4 ASN HA 1 7 THR H . . 3.510 3.221 2.883 3.491 . 0 0 "[ . 1 . 2]" 1
75 1 4 ASN HA 1 7 THR HB . . 4.810 2.586 2.255 2.784 . 0 0 "[ . 1 . 2]" 1
76 1 4 ASN HA 1 8 LEU H . . 5.500 4.307 4.072 4.438 . 0 0 "[ . 1 . 2]" 1
77 1 4 ASN HA 1 8 LEU MD2 . . 4.550 3.966 3.688 4.543 . 0 0 "[ . 1 . 2]" 1
78 1 4 ASN QB 1 4 ASN HD22 . . 3.620 3.376 3.345 3.412 . 0 0 "[ . 1 . 2]" 1
79 1 4 ASN QB 1 5 GLU H . . 3.400 3.347 3.158 3.480 0.080 5 0 "[ . 1 . 2]" 1
80 1 4 ASN QB 1 5 GLU QG . . 4.500 4.235 4.032 4.499 . 0 0 "[ . 1 . 2]" 1
81 1 4 ASN QB 1 6 GLN H . . 5.140 5.082 4.936 5.183 0.043 14 0 "[ . 1 . 2]" 1
82 1 4 ASN QB 1 7 THR HB . . 4.710 4.031 3.601 4.372 . 0 0 "[ . 1 . 2]" 1
83 1 4 ASN QB 1 8 LEU H . . 5.320 4.941 4.537 5.149 . 0 0 "[ . 1 . 2]" 1
84 1 4 ASN QB 1 8 LEU MD2 . . 4.060 3.318 2.895 4.006 . 0 0 "[ . 1 . 2]" 1
85 1 4 ASN HD21 1 5 GLU H . . 4.420 2.806 2.323 3.115 . 0 0 "[ . 1 . 2]" 1
86 1 4 ASN HD21 1 5 GLU QB . . 4.800 4.286 3.784 4.538 . 0 0 "[ . 1 . 2]" 1
87 1 4 ASN HD21 1 5 GLU QG . . 3.860 2.631 2.044 3.006 . 0 0 "[ . 1 . 2]" 1
88 1 4 ASN HD21 1 8 LEU MD2 . . 4.130 3.486 2.492 4.139 0.009 13 0 "[ . 1 . 2]" 1
89 1 4 ASN HD21 1 8 LEU HG . . 5.310 4.528 3.871 4.927 . 0 0 "[ . 1 . 2]" 1
90 1 4 ASN HD22 1 5 GLU H . . 4.730 2.814 2.550 3.029 . 0 0 "[ . 1 . 2]" 1
91 1 4 ASN HD22 1 5 GLU QB . . 4.460 4.065 3.605 4.258 . 0 0 "[ . 1 . 2]" 1
92 1 4 ASN HD22 1 5 GLU QG . . 4.270 2.268 2.027 2.634 . 0 0 "[ . 1 . 2]" 1
93 1 4 ASN HD22 1 6 GLN H . . 5.500 5.553 5.349 5.572 0.072 11 0 "[ . 1 . 2]" 1
94 1 5 GLU H 1 5 GLU QB . . 2.970 2.401 2.181 2.571 . 0 0 "[ . 1 . 2]" 1
95 1 5 GLU H 1 5 GLU QG . . 3.470 2.301 1.900 2.672 . 0 0 "[ . 1 . 2]" 1
96 1 5 GLU H 1 7 THR H . . 5.040 4.030 3.835 4.287 . 0 0 "[ . 1 . 2]" 1
97 1 5 GLU H 1 7 THR HB . . 5.200 5.212 5.055 5.269 0.069 1 0 "[ . 1 . 2]" 1
98 1 5 GLU H 1 8 LEU MD2 . . 5.400 4.492 4.128 5.025 . 0 0 "[ . 1 . 2]" 1
99 1 5 GLU H 1 8 LEU HG . . 4.820 4.339 4.189 4.590 . 0 0 "[ . 1 . 2]" 1
100 1 5 GLU HA 1 5 GLU QG . . 3.270 2.309 2.166 2.502 . 0 0 "[ . 1 . 2]" 1
101 1 5 GLU HA 1 6 GLN H . . 3.550 3.490 3.438 3.535 . 0 0 "[ . 1 . 2]" 1
102 1 5 GLU HA 1 7 THR H . . 4.500 4.217 4.051 4.551 0.051 16 0 "[ . 1 . 2]" 1
103 1 5 GLU QB 1 6 GLN H . . 4.080 2.575 2.366 2.803 . 0 0 "[ . 1 . 2]" 1
104 1 5 GLU QB 1 8 LEU HG . . 4.720 4.066 3.907 4.220 . 0 0 "[ . 1 . 2]" 1
105 1 5 GLU QG 1 8 LEU H . . 5.500 5.459 5.284 5.586 0.086 16 0 "[ . 1 . 2]" 1
106 1 5 GLU QG 1 8 LEU MD2 . . 4.260 4.180 3.905 4.340 0.080 13 0 "[ . 1 . 2]" 1
107 1 5 GLU QG 1 8 LEU HG . . 5.500 4.123 3.807 4.395 . 0 0 "[ . 1 . 2]" 1
108 1 6 GLN H 1 6 GLN HB2 . . 2.820 2.339 2.080 2.579 . 0 0 "[ . 1 . 2]" 1
109 1 6 GLN H 1 6 GLN QE . . 4.980 4.327 2.903 5.060 0.080 5 0 "[ . 1 . 2]" 1
110 1 6 GLN H 1 6 GLN QG . . 3.860 3.404 2.345 3.942 0.082 19 0 "[ . 1 . 2]" 1
111 1 6 GLN H 1 7 THR H . . 3.380 2.522 2.402 2.658 . 0 0 "[ . 1 . 2]" 1
112 1 6 GLN H 1 8 LEU HG . . 4.280 4.341 4.321 4.358 0.078 5 0 "[ . 1 . 2]" 1
113 1 6 GLN HA 1 6 GLN QG . . 3.290 2.283 2.092 2.485 . 0 0 "[ . 1 . 2]" 1
114 1 6 GLN HA 1 7 THR H . . 3.560 3.540 3.453 3.606 0.046 19 0 "[ . 1 . 2]" 1
115 1 6 GLN HA 1 8 LEU HG . . 5.090 4.761 4.502 4.899 . 0 0 "[ . 1 . 2]" 1
116 1 6 GLN HB2 1 7 THR H . . 3.710 3.416 3.138 3.781 0.071 18 0 "[ . 1 . 2]" 1
117 1 6 GLN HB2 1 7 THR HA . . 5.500 5.027 4.504 5.563 0.063 6 0 "[ . 1 . 2]" 1
118 1 6 GLN HB3 1 6 GLN QE . . 4.300 3.530 2.222 4.166 . 0 0 "[ . 1 . 2]" 1
119 1 6 GLN HB3 1 6 GLN QG . . 2.660 2.282 2.123 2.423 . 0 0 "[ . 1 . 2]" 1
120 1 6 GLN HB3 1 7 THR H . . 4.090 3.572 2.625 4.143 0.053 10 0 "[ . 1 . 2]" 1
121 1 6 GLN HB3 1 7 THR HA . . 5.160 4.293 3.947 4.683 . 0 0 "[ . 1 . 2]" 1
122 1 6 GLN QG 1 7 THR H . . 4.730 4.521 4.016 4.809 0.079 13 0 "[ . 1 . 2]" 1
123 1 7 THR H 1 7 THR HB . . 2.990 2.489 2.366 2.615 . 0 0 "[ . 1 . 2]" 1
124 1 7 THR H 1 7 THR MG . . 3.880 3.762 3.721 3.811 . 0 0 "[ . 1 . 2]" 1
125 1 7 THR H 1 8 LEU H . . 3.690 2.617 2.446 2.893 . 0 0 "[ . 1 . 2]" 1
126 1 7 THR H 1 8 LEU MD1 . . 5.460 5.148 4.929 5.474 0.014 16 0 "[ . 1 . 2]" 1
127 1 7 THR H 1 9 ASP H . . 4.350 4.169 4.059 4.352 0.002 8 0 "[ . 1 . 2]" 1
128 1 7 THR HA 1 7 THR MG . . 2.960 2.344 2.226 2.444 . 0 0 "[ . 1 . 2]" 1
129 1 7 THR HA 1 9 ASP H . . 4.000 3.759 3.621 3.838 . 0 0 "[ . 1 . 2]" 1
130 1 7 THR HA 1 9 ASP HB2 . . 5.500 4.873 3.867 5.270 . 0 0 "[ . 1 . 2]" 1
131 1 7 THR HA 1 9 ASP HB3 . . 5.500 4.346 3.819 5.550 0.050 1 0 "[ . 1 . 2]" 1
132 1 7 THR HA 1 10 LYS H . . 4.580 3.532 3.395 3.825 . 0 0 "[ . 1 . 2]" 1
133 1 7 THR HA 1 10 LYS QB . . 4.630 4.259 4.022 4.557 . 0 0 "[ . 1 . 2]" 1
134 1 7 THR HA 1 10 LYS HG2 . . 4.980 3.721 3.477 4.096 . 0 0 "[ . 1 . 2]" 1
135 1 7 THR HA 1 11 LEU MD2 . . 5.010 4.128 3.972 4.240 . 0 0 "[ . 1 . 2]" 1
136 1 7 THR HB 1 8 LEU H . . 3.210 2.807 2.620 2.983 . 0 0 "[ . 1 . 2]" 1
137 1 7 THR HB 1 8 LEU HA . . 5.500 4.334 4.098 4.496 . 0 0 "[ . 1 . 2]" 1
138 1 7 THR HB 1 8 LEU MD2 . . 4.360 3.319 3.080 3.640 . 0 0 "[ . 1 . 2]" 1
139 1 7 THR HB 1 8 LEU HG . . 4.300 4.208 3.988 4.360 0.060 3 0 "[ . 1 . 2]" 1
140 1 7 THR HB 1 9 ASP H . . 5.160 4.959 4.889 5.080 . 0 0 "[ . 1 . 2]" 1
141 1 7 THR HB 1 10 LYS H . . 5.500 5.571 5.561 5.580 0.080 17 0 "[ . 1 . 2]" 1
142 1 7 THR HB 1 11 LEU MD2 . . 3.690 3.720 3.488 3.771 0.081 15 0 "[ . 1 . 2]" 1
143 1 7 THR MG 1 8 LEU H . . 3.720 3.598 3.554 3.653 . 0 0 "[ . 1 . 2]" 1
144 1 7 THR MG 1 8 LEU HA . . 4.260 3.672 3.602 3.720 . 0 0 "[ . 1 . 2]" 1
145 1 7 THR MG 1 8 LEU HB3 . . 5.500 5.582 5.557 5.598 0.098 17 0 "[ . 1 . 2]" 1
146 1 7 THR MG 1 8 LEU MD2 . . 4.230 3.733 3.506 3.959 . 0 0 "[ . 1 . 2]" 1
147 1 7 THR MG 1 9 ASP H . . 4.520 4.603 4.586 4.617 0.097 1 0 "[ . 1 . 2]" 1
148 1 7 THR MG 1 10 LYS H . . 3.980 3.922 3.839 3.997 0.017 2 0 "[ . 1 . 2]" 1
149 1 7 THR MG 1 10 LYS QB . . 3.890 3.970 3.894 3.991 0.101 18 0 "[ . 1 . 2]" 1
150 1 7 THR MG 1 10 LYS QD . . 3.510 2.419 2.107 2.641 . 0 0 "[ . 1 . 2]" 1
151 1 7 THR MG 1 10 LYS HG2 . . 3.660 2.684 2.487 2.777 . 0 0 "[ . 1 . 2]" 1
152 1 7 THR MG 1 10 LYS HG3 . . 3.960 3.823 3.637 3.932 . 0 0 "[ . 1 . 2]" 1
153 1 7 THR MG 1 11 LEU H . . 4.250 4.295 4.145 4.340 0.090 20 0 "[ . 1 . 2]" 1
154 1 7 THR MG 1 11 LEU MD1 . . 4.870 3.976 3.812 4.110 . 0 0 "[ . 1 . 2]" 1
155 1 7 THR MG 1 11 LEU MD2 . . 2.910 2.144 2.045 2.232 . 0 0 "[ . 1 . 2]" 1
156 1 7 THR MG 1 11 LEU HG . . 4.780 4.402 4.246 4.540 . 0 0 "[ . 1 . 2]" 1
157 1 8 LEU H 1 8 LEU HB2 . . 4.050 2.905 2.750 3.048 . 0 0 "[ . 1 . 2]" 1
158 1 8 LEU H 1 8 LEU HB3 . . 3.570 3.559 3.521 3.593 0.023 15 0 "[ . 1 . 2]" 1
159 1 8 LEU H 1 8 LEU MD1 . . 3.630 3.626 3.551 3.709 0.079 2 0 "[ . 1 . 2]" 1
160 1 8 LEU H 1 8 LEU MD2 . . 3.220 2.440 2.295 2.628 . 0 0 "[ . 1 . 2]" 1
161 1 8 LEU H 1 8 LEU HG . . 3.110 1.929 1.843 2.081 . 0 0 "[ . 1 . 2]" 1
162 1 8 LEU H 1 9 ASP H . . 5.010 2.812 2.758 2.935 . 0 0 "[ . 1 . 2]" 1
163 1 8 LEU H 1 9 ASP QB . . 4.560 4.539 4.402 4.639 0.079 12 0 "[ . 1 . 2]" 1
164 1 8 LEU H 1 10 LYS H . . 4.870 4.684 4.566 4.776 . 0 0 "[ . 1 . 2]" 1
165 1 8 LEU H 1 10 LYS HG2 . . 5.330 5.347 5.283 5.395 0.065 16 0 "[ . 1 . 2]" 1
166 1 8 LEU H 1 11 LEU HB2 . . 5.060 5.133 5.127 5.138 0.078 20 0 "[ . 1 . 2]" 1
167 1 8 LEU HA 1 8 LEU MD2 . . 3.010 2.446 2.276 2.567 . 0 0 "[ . 1 . 2]" 1
168 1 8 LEU HA 1 9 ASP HA . . 5.500 5.005 4.961 5.048 . 0 0 "[ . 1 . 2]" 1
169 1 8 LEU HA 1 11 LEU HB2 . . 3.560 2.411 2.378 2.458 . 0 0 "[ . 1 . 2]" 1
170 1 8 LEU HA 1 11 LEU HB3 . . 4.050 4.060 4.036 4.099 0.049 18 0 "[ . 1 . 2]" 1
171 1 8 LEU HA 1 11 LEU MD2 . . 3.340 2.022 1.984 2.082 . 0 0 "[ . 1 . 2]" 1
172 1 8 LEU HA 1 12 ARG QG . . 4.270 4.285 4.098 4.354 0.084 17 0 "[ . 1 . 2]" 1
173 1 8 LEU HB2 1 8 LEU MD1 . . 3.040 2.347 2.277 2.445 . 0 0 "[ . 1 . 2]" 1
174 1 8 LEU HB2 1 8 LEU MD2 . . 3.230 3.232 3.198 3.264 0.034 2 0 "[ . 1 . 2]" 1
175 1 8 LEU HB2 1 9 ASP H . . 3.180 2.862 2.690 2.979 . 0 0 "[ . 1 . 2]" 1
176 1 8 LEU HB2 1 9 ASP HA . . 4.130 4.005 3.851 4.141 0.011 11 0 "[ . 1 . 2]" 1
177 1 8 LEU HB2 1 9 ASP QB . . 4.720 4.413 4.166 4.775 0.055 12 0 "[ . 1 . 2]" 1
178 1 8 LEU HB2 1 12 ARG QD . . 4.960 4.508 3.766 5.036 0.076 1 0 "[ . 1 . 2]" 1
179 1 8 LEU HB2 1 12 ARG QG . . 3.760 3.471 3.147 3.821 0.061 14 0 "[ . 1 . 2]" 1
180 1 8 LEU HB3 1 8 LEU MD1 . . 3.370 2.444 2.348 2.501 . 0 0 "[ . 1 . 2]" 1
181 1 8 LEU HB3 1 8 LEU MD2 . . 2.920 2.446 2.318 2.590 . 0 0 "[ . 1 . 2]" 1
182 1 8 LEU HB3 1 9 ASP H . . 4.180 4.044 3.918 4.147 . 0 0 "[ . 1 . 2]" 1
183 1 8 LEU HB3 1 9 ASP HA . . 4.980 4.883 4.752 5.011 0.031 10 0 "[ . 1 . 2]" 1
184 1 8 LEU HB3 1 11 LEU HB2 . . 4.380 3.573 3.448 3.717 . 0 0 "[ . 1 . 2]" 1
185 1 8 LEU HB3 1 12 ARG H . . 4.080 4.091 3.967 4.147 0.067 15 0 "[ . 1 . 2]" 1
186 1 8 LEU HB3 1 12 ARG QG . . 3.670 3.557 3.195 3.749 0.079 5 0 "[ . 1 . 2]" 1
187 1 8 LEU MD2 1 11 LEU HB2 . . 5.500 4.035 3.681 4.241 . 0 0 "[ . 1 . 2]" 1
188 1 8 LEU HG 1 9 ASP H . . 4.210 3.941 3.769 4.120 . 0 0 "[ . 1 . 2]" 1
189 1 9 ASP H 1 9 ASP QB . . 2.770 2.225 2.155 2.326 . 0 0 "[ . 1 . 2]" 1
190 1 9 ASP H 1 10 LYS H . . 3.330 2.931 2.862 3.040 . 0 0 "[ . 1 . 2]" 1
191 1 9 ASP H 1 10 LYS HG2 . . 4.910 4.848 4.763 4.955 0.045 14 0 "[ . 1 . 2]" 1
192 1 9 ASP H 1 11 LEU MD2 . . 4.260 4.297 4.035 4.338 0.078 6 0 "[ . 1 . 2]" 1
193 1 9 ASP H 1 12 ARG H . . 4.960 4.748 4.672 4.822 . 0 0 "[ . 1 . 2]" 1
194 1 9 ASP H 1 12 ARG QD . . 5.300 4.864 4.624 5.300 . 0 0 "[ . 1 . 2]" 1
195 1 9 ASP HA 1 11 LEU H . . 4.290 4.139 4.004 4.193 . 0 0 "[ . 1 . 2]" 1
196 1 9 ASP HA 1 12 ARG H . . 4.110 3.692 3.592 3.794 . 0 0 "[ . 1 . 2]" 1
197 1 9 ASP HA 1 12 ARG HB2 . . 5.370 4.820 4.716 4.930 . 0 0 "[ . 1 . 2]" 1
198 1 9 ASP HA 1 12 ARG QD . . 4.000 2.758 2.430 3.167 . 0 0 "[ . 1 . 2]" 1
199 1 9 ASP HA 1 13 GLN H . . 4.230 3.910 3.711 4.085 . 0 0 "[ . 1 . 2]" 1
200 1 9 ASP HA 1 13 GLN HG3 . . 5.310 5.074 4.911 5.294 . 0 0 "[ . 1 . 2]" 1
201 1 9 ASP QB 1 10 LYS H . . 3.370 2.503 2.347 2.753 . 0 0 "[ . 1 . 2]" 1
202 1 9 ASP QB 1 10 LYS HA . . 4.110 4.071 3.696 4.179 0.069 5 0 "[ . 1 . 2]" 1
203 1 9 ASP QB 1 10 LYS QB . . 4.100 3.917 3.763 4.026 . 0 0 "[ . 1 . 2]" 1
204 1 9 ASP QB 1 10 LYS HG2 . . 5.340 4.740 4.588 4.868 . 0 0 "[ . 1 . 2]" 1
205 1 9 ASP QB 1 13 GLN H . . 5.340 5.237 4.741 5.403 0.063 18 0 "[ . 1 . 2]" 1
206 1 9 ASP QB 1 13 GLN HG2 . . 5.340 4.947 4.053 5.296 . 0 0 "[ . 1 . 2]" 1
207 1 9 ASP HB2 1 10 LYS H . . 3.850 3.636 2.525 3.900 0.050 10 0 "[ . 1 . 2]" 1
208 1 9 ASP HB2 1 11 LEU H . . 5.500 5.400 4.729 5.565 0.065 6 0 "[ . 1 . 2]" 1
209 1 9 ASP HB2 1 12 ARG QD . . 5.500 4.665 4.095 5.584 0.084 17 0 "[ . 1 . 2]" 1
210 1 9 ASP HB3 1 10 LYS H . . 3.850 2.652 2.368 3.350 . 0 0 "[ . 1 . 2]" 1
211 1 9 ASP HB3 1 11 LEU H . . 5.500 4.799 4.663 5.153 . 0 0 "[ . 1 . 2]" 1
212 1 9 ASP HB3 1 12 ARG QD . . 5.500 5.327 4.959 5.570 0.070 5 0 "[ . 1 . 2]" 1
213 1 10 LYS H 1 10 LYS QB . . 2.870 2.476 2.394 2.539 . 0 0 "[ . 1 . 2]" 1
214 1 10 LYS H 1 10 LYS HG2 . . 3.430 2.533 2.343 2.653 . 0 0 "[ . 1 . 2]" 1
215 1 10 LYS H 1 10 LYS HG3 . . 3.730 3.726 3.652 3.779 0.049 8 0 "[ . 1 . 2]" 1
216 1 10 LYS H 1 11 LEU H . . 3.400 2.578 2.441 2.661 . 0 0 "[ . 1 . 2]" 1
217 1 10 LYS H 1 11 LEU MD2 . . 3.480 3.400 3.208 3.527 0.047 5 0 "[ . 1 . 2]" 1
218 1 10 LYS H 1 12 ARG H . . 4.650 4.486 4.376 4.575 . 0 0 "[ . 1 . 2]" 1
219 1 10 LYS H 1 13 GLN HG3 . . 4.960 4.748 4.606 4.857 . 0 0 "[ . 1 . 2]" 1
220 1 10 LYS HA 1 10 LYS QE . . 4.660 4.506 4.199 4.743 0.083 1 0 "[ . 1 . 2]" 1
221 1 10 LYS HA 1 10 LYS HG2 . . 4.100 3.789 3.707 3.863 . 0 0 "[ . 1 . 2]" 1
222 1 10 LYS HA 1 13 GLN HE21 . . 3.890 2.993 2.695 3.239 . 0 0 "[ . 1 . 2]" 1
223 1 10 LYS HA 1 13 GLN HE22 . . 4.530 4.422 4.181 4.591 0.061 4 0 "[ . 1 . 2]" 1
224 1 10 LYS HA 1 13 GLN HG3 . . 3.360 2.432 2.276 2.571 . 0 0 "[ . 1 . 2]" 1
225 1 10 LYS QB 1 10 LYS QD . . 3.280 2.333 2.168 2.437 . 0 0 "[ . 1 . 2]" 1
226 1 10 LYS QB 1 10 LYS QE . . 3.560 2.417 2.127 2.744 . 0 0 "[ . 1 . 2]" 1
227 1 10 LYS QB 1 11 LEU H . . 4.200 3.714 3.654 3.770 . 0 0 "[ . 1 . 2]" 1
228 1 10 LYS QB 1 13 GLN HG2 . . 4.330 3.996 3.855 4.235 . 0 0 "[ . 1 . 2]" 1
229 1 10 LYS QD 1 10 LYS HG2 . . 2.760 2.097 2.065 2.121 . 0 0 "[ . 1 . 2]" 1
230 1 10 LYS QD 1 11 LEU H . . 4.470 4.545 4.519 4.563 0.093 5 0 "[ . 1 . 2]" 1
231 1 10 LYS QD 1 11 LEU MD1 . . 4.120 3.813 3.524 4.193 0.073 5 0 "[ . 1 . 2]" 1
232 1 10 LYS QE 1 10 LYS HG2 . . 3.350 3.301 3.232 3.400 0.050 20 0 "[ . 1 . 2]" 1
233 1 10 LYS QE 1 10 LYS HG3 . . 3.680 2.291 2.159 2.443 . 0 0 "[ . 1 . 2]" 1
234 1 10 LYS QE 1 11 LEU H . . 5.180 5.091 4.905 5.235 0.055 19 0 "[ . 1 . 2]" 1
235 1 10 LYS QE 1 11 LEU MD1 . . 3.610 3.621 3.283 3.719 0.109 19 0 "[ . 1 . 2]" 1
236 1 10 LYS QE 1 13 GLN HE21 . . 5.500 4.664 4.260 5.075 . 0 0 "[ . 1 . 2]" 1
237 1 10 LYS QE 1 14 ALA MB . . 5.500 4.860 4.501 5.322 . 0 0 "[ . 1 . 2]" 1
238 1 10 LYS HG2 1 11 LEU H . . 3.880 2.894 2.825 3.002 . 0 0 "[ . 1 . 2]" 1
239 1 10 LYS HG3 1 11 LEU H . . 3.130 3.136 2.988 3.201 0.071 18 0 "[ . 1 . 2]" 1
240 1 10 LYS HG3 1 11 LEU MD2 . . 2.850 2.314 2.184 2.574 . 0 0 "[ . 1 . 2]" 1
241 1 11 LEU H 1 11 LEU HB2 . . 2.960 2.423 2.336 2.449 . 0 0 "[ . 1 . 2]" 1
242 1 11 LEU H 1 11 LEU MD1 . . 3.690 3.591 3.508 3.706 0.016 4 0 "[ . 1 . 2]" 1
243 1 11 LEU H 1 11 LEU MD2 . . 2.980 2.250 1.936 2.407 . 0 0 "[ . 1 . 2]" 1
244 1 11 LEU H 1 12 ARG H . . 3.630 2.557 2.504 2.624 . 0 0 "[ . 1 . 2]" 1
245 1 11 LEU H 1 12 ARG HA . . 5.290 5.169 5.124 5.248 . 0 0 "[ . 1 . 2]" 1
246 1 11 LEU H 1 12 ARG QD . . 5.500 5.590 5.577 5.601 0.101 7 0 "[ . 1 . 2]" 1
247 1 11 LEU H 1 12 ARG QG . . 4.100 3.613 3.495 3.717 . 0 0 "[ . 1 . 2]" 1
248 1 11 LEU H 1 13 GLN H . . 4.130 4.001 3.921 4.100 . 0 0 "[ . 1 . 2]" 1
249 1 11 LEU H 1 13 GLN HG2 . . 5.500 5.178 5.052 5.353 . 0 0 "[ . 1 . 2]" 1
250 1 11 LEU H 1 14 ALA H . . 5.500 4.676 4.567 4.928 . 0 0 "[ . 1 . 2]" 1
251 1 11 LEU H 1 14 ALA MB . . 5.210 4.761 4.576 5.147 . 0 0 "[ . 1 . 2]" 1
252 1 11 LEU H 1 15 VAL QG . . 5.440 5.541 5.528 5.561 0.121 6 0 "[ . 1 . 2]" 1
253 1 11 LEU HA 1 11 LEU MD1 . . 2.870 2.109 2.078 2.191 . 0 0 "[ . 1 . 2]" 1
254 1 11 LEU HA 1 11 LEU HG . . 3.880 3.702 3.654 3.747 . 0 0 "[ . 1 . 2]" 1
255 1 11 LEU HA 1 12 ARG HA . . 4.960 4.753 4.717 4.827 . 0 0 "[ . 1 . 2]" 1
256 1 11 LEU HA 1 13 GLN H . . 4.680 4.616 4.519 4.728 0.048 20 0 "[ . 1 . 2]" 1
257 1 11 LEU HA 1 14 ALA MB . . 3.570 2.659 2.419 3.121 . 0 0 "[ . 1 . 2]" 1
258 1 11 LEU HA 1 15 VAL QG . . 4.170 3.867 3.795 3.997 . 0 0 "[ . 1 . 2]" 1
259 1 11 LEU HB2 1 11 LEU MD1 . . 3.330 3.271 3.253 3.304 . 0 0 "[ . 1 . 2]" 1
260 1 11 LEU HB2 1 11 LEU MD2 . . 3.440 2.363 2.286 2.431 . 0 0 "[ . 1 . 2]" 1
261 1 11 LEU HB2 1 12 ARG H . . 3.170 2.533 2.477 2.594 . 0 0 "[ . 1 . 2]" 1
262 1 11 LEU HB2 1 12 ARG HA . . 5.130 4.483 4.404 4.530 . 0 0 "[ . 1 . 2]" 1
263 1 11 LEU HB2 1 13 GLN H . . 5.110 5.133 5.089 5.164 0.054 15 0 "[ . 1 . 2]" 1
264 1 11 LEU HB2 1 15 VAL QG . . 5.020 4.594 4.542 4.666 . 0 0 "[ . 1 . 2]" 1
265 1 11 LEU HB3 1 11 LEU MD1 . . 2.970 2.538 2.482 2.606 . 0 0 "[ . 1 . 2]" 1
266 1 11 LEU HB3 1 12 ARG H . . 3.480 3.354 3.297 3.412 . 0 0 "[ . 1 . 2]" 1
267 1 11 LEU HB3 1 12 ARG HA . . 4.200 4.220 4.147 4.265 0.065 12 0 "[ . 1 . 2]" 1
268 1 11 LEU HB3 1 15 VAL QG . . 3.710 3.450 3.296 3.558 . 0 0 "[ . 1 . 2]" 1
269 1 11 LEU MD1 1 14 ALA MB . . 3.930 3.575 3.307 3.939 0.009 11 0 "[ . 1 . 2]" 1
270 1 11 LEU MD2 1 12 ARG H . . 3.990 4.020 3.801 4.058 0.068 3 0 "[ . 1 . 2]" 1
271 1 12 ARG H 1 12 ARG HB3 . . 3.570 2.821 2.665 2.963 . 0 0 "[ . 1 . 2]" 1
272 1 12 ARG H 1 12 ARG QD . . 4.210 3.973 3.849 4.077 . 0 0 "[ . 1 . 2]" 1
273 1 12 ARG H 1 13 GLN H . . 3.560 2.852 2.811 2.901 . 0 0 "[ . 1 . 2]" 1
274 1 12 ARG H 1 13 GLN QB . . 4.890 4.949 4.881 4.970 0.080 14 0 "[ . 1 . 2]" 1
275 1 12 ARG H 1 13 GLN HG2 . . 5.500 5.566 5.549 5.575 0.075 4 0 "[ . 1 . 2]" 1
276 1 12 ARG H 1 13 GLN HG3 . . 4.670 4.332 4.275 4.385 . 0 0 "[ . 1 . 2]" 1
277 1 12 ARG H 1 14 ALA H . . 4.420 4.140 4.043 4.251 . 0 0 "[ . 1 . 2]" 1
278 1 12 ARG H 1 14 ALA MB . . 4.920 4.809 4.706 4.969 0.049 11 0 "[ . 1 . 2]" 1
279 1 12 ARG H 1 15 VAL H . . 5.030 4.799 4.720 4.945 . 0 0 "[ . 1 . 2]" 1
280 1 12 ARG H 1 15 VAL QG . . 4.760 4.350 4.209 4.440 . 0 0 "[ . 1 . 2]" 1
281 1 12 ARG HA 1 12 ARG QD . . 4.500 4.278 4.012 4.396 . 0 0 "[ . 1 . 2]" 1
282 1 12 ARG HA 1 12 ARG QG . . 3.690 3.351 3.305 3.391 . 0 0 "[ . 1 . 2]" 1
283 1 12 ARG HA 1 13 GLN HA . . 5.390 4.699 4.634 4.766 . 0 0 "[ . 1 . 2]" 1
284 1 12 ARG HA 1 14 ALA H . . 4.190 4.045 3.897 4.226 0.036 1 0 "[ . 1 . 2]" 1
285 1 12 ARG HA 1 14 ALA MB . . 4.960 4.659 4.519 4.751 . 0 0 "[ . 1 . 2]" 1
286 1 12 ARG HA 1 15 VAL H . . 3.890 3.201 3.120 3.315 . 0 0 "[ . 1 . 2]" 1
287 1 12 ARG HA 1 15 VAL HB . . 4.710 2.689 2.460 2.893 . 0 0 "[ . 1 . 2]" 1
288 1 12 ARG HA 1 15 VAL QG . . 3.910 2.843 2.578 3.034 . 0 0 "[ . 1 . 2]" 1
289 1 12 ARG HA 1 16 LEU H . . 5.140 3.749 3.634 3.890 . 0 0 "[ . 1 . 2]" 1
290 1 12 ARG HB2 1 12 ARG QD . . 3.920 2.149 2.042 2.199 . 0 0 "[ . 1 . 2]" 1
291 1 12 ARG HB2 1 13 GLN H . . 3.910 3.638 3.485 3.767 . 0 0 "[ . 1 . 2]" 1
292 1 12 ARG HB2 1 13 GLN HA . . 5.370 4.379 4.247 4.486 . 0 0 "[ . 1 . 2]" 1
293 1 12 ARG HB2 1 16 LEU MD2 . . 4.250 3.461 3.111 3.693 . 0 0 "[ . 1 . 2]" 1
294 1 12 ARG HB3 1 12 ARG QD . . 3.440 2.884 2.431 3.124 . 0 0 "[ . 1 . 2]" 1
295 1 12 ARG HB3 1 13 GLN H . . 4.120 4.161 4.051 4.189 0.069 8 0 "[ . 1 . 2]" 1
296 1 12 ARG HB3 1 16 LEU H . . 5.500 5.553 5.465 5.576 0.076 15 0 "[ . 1 . 2]" 1
297 1 12 ARG QD 1 13 GLN H . . 4.160 3.785 3.145 4.208 0.048 17 0 "[ . 1 . 2]" 1
298 1 12 ARG QD 1 13 GLN HA . . 4.950 4.651 3.789 5.031 0.081 14 0 "[ . 1 . 2]" 1
299 1 12 ARG QD 1 16 LEU MD2 . . 3.670 3.663 3.037 3.781 0.111 17 0 "[ . 1 . 2]" 1
300 1 12 ARG QG 1 13 GLN H . . 3.560 2.264 1.965 2.577 . 0 0 "[ . 1 . 2]" 1
301 1 13 GLN H 1 13 GLN QB . . 2.930 2.382 2.350 2.429 . 0 0 "[ . 1 . 2]" 1
302 1 13 GLN H 1 13 GLN HE21 . . 5.080 4.253 4.099 4.358 . 0 0 "[ . 1 . 2]" 1
303 1 13 GLN H 1 13 GLN HE22 . . 5.500 5.555 5.526 5.575 0.075 16 0 "[ . 1 . 2]" 1
304 1 13 GLN H 1 13 GLN HG2 . . 3.570 3.329 3.278 3.385 . 0 0 "[ . 1 . 2]" 1
305 1 13 GLN H 1 13 GLN HG3 . . 3.380 2.245 2.180 2.307 . 0 0 "[ . 1 . 2]" 1
306 1 13 GLN H 1 15 VAL H . . 4.460 4.286 4.131 4.459 . 0 0 "[ . 1 . 2]" 1
307 1 13 GLN H 1 15 VAL QG . . 5.070 4.973 4.821 5.068 . 0 0 "[ . 1 . 2]" 1
308 1 13 GLN H 1 16 LEU H . . 5.100 4.780 4.619 4.905 . 0 0 "[ . 1 . 2]" 1
309 1 13 GLN H 1 16 LEU MD2 . . 3.770 3.849 3.816 3.862 0.092 16 0 "[ . 1 . 2]" 1
310 1 13 GLN HA 1 15 VAL H . . 4.860 4.454 4.170 4.748 . 0 0 "[ . 1 . 2]" 1
311 1 13 GLN HA 1 16 LEU H . . 4.200 3.501 3.142 3.738 . 0 0 "[ . 1 . 2]" 1
312 1 13 GLN HA 1 16 LEU QB . . 5.500 3.592 3.126 3.932 . 0 0 "[ . 1 . 2]" 1
313 1 13 GLN HA 1 16 LEU MD2 . . 3.240 2.036 1.959 2.125 . 0 0 "[ . 1 . 2]" 1
314 1 13 GLN HA 1 16 LEU HG . . 4.440 2.176 2.061 2.292 . 0 0 "[ . 1 . 2]" 1
315 1 13 GLN HA 1 17 GLN HE21 . . 5.500 4.444 3.215 5.093 . 0 0 "[ . 1 . 2]" 1
316 1 13 GLN QB 1 13 GLN HE21 . . 4.220 3.994 3.877 4.067 . 0 0 "[ . 1 . 2]" 1
317 1 13 GLN QB 1 14 ALA H . . 3.690 3.709 3.650 3.760 0.070 16 0 "[ . 1 . 2]" 1
318 1 13 GLN QB 1 16 LEU HG . . 5.270 3.650 3.360 3.787 . 0 0 "[ . 1 . 2]" 1
319 1 13 GLN QB 1 17 GLN HE21 . . 4.010 3.397 2.387 3.746 . 0 0 "[ . 1 . 2]" 1
320 1 13 GLN HE21 1 13 GLN HG2 . . 3.490 3.092 2.976 3.227 . 0 0 "[ . 1 . 2]" 1
321 1 13 GLN HE21 1 14 ALA HA . . 4.490 3.677 3.389 4.017 . 0 0 "[ . 1 . 2]" 1
322 1 13 GLN HE21 1 14 ALA MB . . 4.330 2.490 2.225 2.779 . 0 0 "[ . 1 . 2]" 1
323 1 13 GLN HE22 1 14 ALA H . . 4.350 3.924 3.747 4.098 . 0 0 "[ . 1 . 2]" 1
324 1 13 GLN HE22 1 14 ALA HA . . 4.540 3.316 3.023 3.561 . 0 0 "[ . 1 . 2]" 1
325 1 13 GLN HG3 1 14 ALA H . . 3.840 2.469 2.375 2.542 . 0 0 "[ . 1 . 2]" 1
326 1 13 GLN HG3 1 14 ALA HA . . 4.410 4.435 4.395 4.472 0.062 19 0 "[ . 1 . 2]" 1
327 1 13 GLN HG3 1 14 ALA MB . . 3.950 3.653 3.574 3.743 . 0 0 "[ . 1 . 2]" 1
328 1 13 GLN HG3 1 15 VAL H . . 4.850 4.891 4.829 4.915 0.065 12 0 "[ . 1 . 2]" 1
329 1 13 GLN HG3 1 16 LEU HG . . 5.500 5.480 5.352 5.559 0.059 1 0 "[ . 1 . 2]" 1
330 1 14 ALA H 1 14 ALA MB . . 2.760 2.176 2.120 2.228 . 0 0 "[ . 1 . 2]" 1
331 1 14 ALA H 1 15 VAL H . . 3.510 2.513 2.420 2.578 . 0 0 "[ . 1 . 2]" 1
332 1 14 ALA H 1 15 VAL HA . . 5.140 5.168 5.068 5.199 0.059 10 0 "[ . 1 . 2]" 1
333 1 14 ALA H 1 15 VAL HB . . 5.500 4.744 4.482 4.895 . 0 0 "[ . 1 . 2]" 1
334 1 14 ALA H 1 15 VAL QG . . 3.980 3.923 3.754 4.042 0.062 18 0 "[ . 1 . 2]" 1
335 1 14 ALA H 1 16 LEU H . . 4.350 4.125 3.893 4.385 0.035 1 0 "[ . 1 . 2]" 1
336 1 14 ALA H 1 17 GLN H . . 5.500 4.763 4.648 5.026 . 0 0 "[ . 1 . 2]" 1
337 1 14 ALA HA 1 15 VAL HA . . 4.930 4.800 4.721 4.870 . 0 0 "[ . 1 . 2]" 1
338 1 14 ALA HA 1 16 LEU H . . 5.250 4.744 4.406 5.037 . 0 0 "[ . 1 . 2]" 1
339 1 14 ALA HA 1 17 GLN H . . 4.040 3.640 3.443 3.958 . 0 0 "[ . 1 . 2]" 1
340 1 14 ALA HA 1 17 GLN QB . . 3.370 2.892 2.653 3.409 0.039 18 0 "[ . 1 . 2]" 1
341 1 14 ALA HA 1 17 GLN HE21 . . 4.630 3.394 2.632 4.510 . 0 0 "[ . 1 . 2]" 1
342 1 14 ALA HA 1 17 GLN HE22 . . 5.060 3.873 3.166 5.108 0.048 2 0 "[ . 1 . 2]" 1
343 1 14 ALA HA 1 17 GLN HG3 . . 4.400 3.907 3.564 4.462 0.062 11 0 "[ . 1 . 2]" 1
344 1 14 ALA MB 1 15 VAL H . . 3.150 2.545 2.257 2.752 . 0 0 "[ . 1 . 2]" 1
345 1 14 ALA MB 1 15 VAL HA . . 4.520 3.893 3.752 3.975 . 0 0 "[ . 1 . 2]" 1
346 1 14 ALA MB 1 15 VAL QG . . 3.660 3.092 2.924 3.212 . 0 0 "[ . 1 . 2]" 1
347 1 14 ALA MB 1 16 LEU H . . 4.980 4.671 4.385 4.909 . 0 0 "[ . 1 . 2]" 1
348 1 14 ALA MB 1 17 GLN H . . 5.500 4.728 4.602 4.951 . 0 0 "[ . 1 . 2]" 1
349 1 14 ALA MB 1 17 GLN QB . . 4.750 4.176 3.997 4.512 . 0 0 "[ . 1 . 2]" 1
350 1 14 ALA MB 1 17 GLN HE21 . . 5.500 4.634 3.995 5.578 0.078 11 0 "[ . 1 . 2]" 1
351 1 15 VAL H 1 15 VAL HB . . 3.310 2.519 2.368 2.719 . 0 0 "[ . 1 . 2]" 1
352 1 15 VAL H 1 15 VAL MG1 . . 3.840 3.793 3.741 3.828 . 0 0 "[ . 1 . 2]" 1
353 1 15 VAL H 1 15 VAL QG . . 3.110 2.200 1.999 2.335 . 0 0 "[ . 1 . 2]" 1
354 1 15 VAL H 1 15 VAL MG2 . . 3.840 2.215 2.007 2.359 . 0 0 "[ . 1 . 2]" 1
355 1 15 VAL H 1 16 LEU H . . 3.650 2.717 2.544 2.833 . 0 0 "[ . 1 . 2]" 1
356 1 15 VAL H 1 16 LEU QB . . 4.870 4.860 4.649 4.949 0.079 8 0 "[ . 1 . 2]" 1
357 1 15 VAL H 1 16 LEU HG . . 5.220 4.687 4.276 4.992 . 0 0 "[ . 1 . 2]" 1
358 1 15 VAL H 1 17 GLN H . . 4.370 4.142 3.953 4.318 . 0 0 "[ . 1 . 2]" 1
359 1 15 VAL H 1 18 LYS H . . 5.460 5.244 4.924 5.437 . 0 0 "[ . 1 . 2]" 1
360 1 15 VAL HA 1 15 VAL MG1 . . 3.620 2.431 2.306 2.511 . 0 0 "[ . 1 . 2]" 1
361 1 15 VAL HA 1 15 VAL MG2 . . 3.620 2.372 2.274 2.497 . 0 0 "[ . 1 . 2]" 1
362 1 15 VAL HA 1 16 LEU HA . . 4.920 4.760 4.694 4.827 . 0 0 "[ . 1 . 2]" 1
363 1 15 VAL HA 1 17 GLN H . . 4.720 4.342 4.190 4.636 . 0 0 "[ . 1 . 2]" 1
364 1 15 VAL HA 1 18 LYS H . . 3.810 3.605 3.396 3.871 0.061 10 0 "[ . 1 . 2]" 1
365 1 15 VAL HA 1 18 LYS HB3 . . 5.010 4.566 3.822 4.844 . 0 0 "[ . 1 . 2]" 1
366 1 15 VAL HA 1 18 LYS HD2 . . 3.830 2.834 2.401 3.553 . 0 0 "[ . 1 . 2]" 1
367 1 15 VAL HA 1 18 LYS HD3 . . 5.180 2.327 2.034 2.628 . 0 0 "[ . 1 . 2]" 1
368 1 15 VAL HA 1 18 LYS QE . . 5.400 3.811 3.437 4.223 . 0 0 "[ . 1 . 2]" 1
369 1 15 VAL HA 1 18 LYS HG2 . . 5.090 3.272 2.221 3.927 . 0 0 "[ . 1 . 2]" 1
370 1 15 VAL HA 1 18 LYS HG3 . . 5.090 4.339 3.128 4.949 . 0 0 "[ . 1 . 2]" 1
371 1 15 VAL HA 1 19 LYS H . . 4.940 4.474 3.901 4.888 . 0 0 "[ . 1 . 2]" 1
372 1 15 VAL HB 1 16 LEU H . . 4.060 2.600 2.316 2.906 . 0 0 "[ . 1 . 2]" 1
373 1 15 VAL QG 1 16 LEU H . . 3.840 3.238 3.076 3.447 . 0 0 "[ . 1 . 2]" 1
374 1 15 VAL QG 1 16 LEU HA . . 5.440 3.521 3.261 3.785 . 0 0 "[ . 1 . 2]" 1
375 1 15 VAL QG 1 17 GLN H . . 5.160 4.669 4.530 4.847 . 0 0 "[ . 1 . 2]" 1
376 1 15 VAL QG 1 18 LYS H . . 5.440 4.419 4.167 4.645 . 0 0 "[ . 1 . 2]" 1
377 1 15 VAL QG 1 18 LYS HD2 . . 5.250 3.641 3.154 4.253 . 0 0 "[ . 1 . 2]" 1
378 1 15 VAL QG 1 18 LYS HD3 . . 3.610 2.540 2.173 3.044 . 0 0 "[ . 1 . 2]" 1
379 1 15 VAL QG 1 19 LYS H . . 4.520 4.070 3.788 4.331 . 0 0 "[ . 1 . 2]" 1
380 1 15 VAL QG 1 19 LYS QD . . 3.890 2.745 2.004 3.653 . 0 0 "[ . 1 . 2]" 1
381 1 15 VAL QG 1 19 LYS QE . . 3.690 2.705 2.105 3.152 . 0 0 "[ . 1 . 2]" 1
382 1 15 VAL MG1 1 19 LYS QE . . 5.190 2.718 2.109 3.176 . 0 0 "[ . 1 . 2]" 1
383 1 15 VAL MG2 1 19 LYS QE . . 5.190 5.001 4.511 5.302 0.112 18 0 "[ . 1 . 2]" 1
384 1 16 LEU H 1 16 LEU QB . . 3.380 2.410 2.251 2.556 . 0 0 "[ . 1 . 2]" 1
385 1 16 LEU H 1 16 LEU MD1 . . 4.040 4.062 3.918 4.127 0.087 12 0 "[ . 1 . 2]" 1
386 1 16 LEU H 1 16 LEU MD2 . . 3.720 3.369 3.151 3.566 . 0 0 "[ . 1 . 2]" 1
387 1 16 LEU H 1 16 LEU HG . . 3.080 2.735 2.451 2.976 . 0 0 "[ . 1 . 2]" 1
388 1 16 LEU H 1 17 GLN H . . 5.500 2.861 2.664 2.975 . 0 0 "[ . 1 . 2]" 1
389 1 16 LEU H 1 17 GLN HG3 . . 5.500 5.102 4.827 5.438 . 0 0 "[ . 1 . 2]" 1
390 1 16 LEU H 1 18 LYS H . . 4.660 4.654 4.448 4.723 0.063 14 0 "[ . 1 . 2]" 1
391 1 16 LEU H 1 18 LYS HD3 . . 5.500 5.481 5.214 5.577 0.077 11 0 "[ . 1 . 2]" 1
392 1 16 LEU H 1 19 LYS HB2 . . 5.500 4.906 4.626 5.232 . 0 0 "[ . 1 . 2]" 1
393 1 16 LEU HA 1 16 LEU MD1 . . 3.590 3.613 3.483 3.669 0.079 20 0 "[ . 1 . 2]" 1
394 1 16 LEU HA 1 19 LYS H . . 3.610 3.242 2.901 3.501 . 0 0 "[ . 1 . 2]" 1
395 1 16 LEU HA 1 19 LYS HB2 . . 5.170 2.254 2.072 2.456 . 0 0 "[ . 1 . 2]" 1
396 1 16 LEU HA 1 19 LYS QD . . 3.720 2.714 2.356 3.263 . 0 0 "[ . 1 . 2]" 1
397 1 16 LEU HA 1 19 LYS QG . . 4.530 3.372 2.490 4.208 . 0 0 "[ . 1 . 2]" 1
398 1 16 LEU QB 1 17 GLN H . . 3.720 3.678 3.534 3.758 0.038 6 0 "[ . 1 . 2]" 1
399 1 16 LEU QB 1 19 LYS HB2 . . 4.420 3.571 3.030 3.982 . 0 0 "[ . 1 . 2]" 1
400 1 16 LEU MD1 1 17 GLN H . . 3.160 2.986 2.796 3.108 . 0 0 "[ . 1 . 2]" 1
401 1 16 LEU MD1 1 17 GLN HA . . 3.390 2.707 2.528 2.850 . 0 0 "[ . 1 . 2]" 1
402 1 16 LEU MD1 1 17 GLN HE21 . . 4.570 4.302 3.169 4.653 0.083 15 0 "[ . 1 . 2]" 1
403 1 16 LEU MD1 1 17 GLN HG2 . . 3.600 3.593 3.198 3.679 0.079 6 0 "[ . 1 . 2]" 1
404 1 16 LEU MD1 1 17 GLN HG3 . . 3.530 2.940 2.381 3.233 . 0 0 "[ . 1 . 2]" 1
405 1 16 LEU MD1 1 19 LYS HB2 . . 4.840 4.582 4.211 4.891 0.051 19 0 "[ . 1 . 2]" 1
406 1 16 LEU HG 1 17 GLN H . . 3.090 2.537 2.318 2.669 . 0 0 "[ . 1 . 2]" 1
407 1 16 LEU HG 1 17 GLN HA . . 4.280 4.228 4.098 4.330 0.050 20 0 "[ . 1 . 2]" 1
408 1 16 LEU HG 1 17 GLN QB . . 4.320 4.353 4.047 4.398 0.078 6 0 "[ . 1 . 2]" 1
409 1 16 LEU HG 1 17 GLN HG3 . . 4.310 3.373 2.695 3.801 . 0 0 "[ . 1 . 2]" 1
410 1 17 GLN H 1 17 GLN QB . . 3.020 2.275 2.172 2.331 . 0 0 "[ . 1 . 2]" 1
411 1 17 GLN H 1 17 GLN HE21 . . 4.870 4.192 3.512 4.665 . 0 0 "[ . 1 . 2]" 1
412 1 17 GLN H 1 17 GLN HG2 . . 4.290 3.829 3.635 3.974 . 0 0 "[ . 1 . 2]" 1
413 1 17 GLN H 1 17 GLN HG3 . . 3.700 2.637 2.425 2.852 . 0 0 "[ . 1 . 2]" 1
414 1 17 GLN H 1 18 LYS H . . 3.690 3.052 2.889 3.233 . 0 0 "[ . 1 . 2]" 1
415 1 17 GLN H 1 19 LYS H . . 4.730 4.253 4.085 4.360 . 0 0 "[ . 1 . 2]" 1
416 1 17 GLN H 1 20 ILE H . . 5.440 5.016 4.879 5.168 . 0 0 "[ . 1 . 2]" 1
417 1 17 GLN H 1 20 ILE HG12 . . 5.180 4.524 4.320 4.830 . 0 0 "[ . 1 . 2]" 1
418 1 17 GLN HA 1 17 GLN HE21 . . 5.500 4.897 4.635 5.108 . 0 0 "[ . 1 . 2]" 1
419 1 17 GLN HA 1 17 GLN HG2 . . 3.660 2.418 2.221 2.546 . 0 0 "[ . 1 . 2]" 1
420 1 17 GLN HA 1 17 GLN HG3 . . 3.800 2.711 2.560 2.874 . 0 0 "[ . 1 . 2]" 1
421 1 17 GLN HA 1 20 ILE H . . 4.110 3.592 3.436 3.787 . 0 0 "[ . 1 . 2]" 1
422 1 17 GLN HA 1 20 ILE HB . . 5.020 3.958 3.650 4.351 . 0 0 "[ . 1 . 2]" 1
423 1 17 GLN HA 1 20 ILE MD . . 4.080 3.688 3.409 4.015 . 0 0 "[ . 1 . 2]" 1
424 1 17 GLN HA 1 20 ILE HG12 . . 4.970 2.359 2.107 2.650 . 0 0 "[ . 1 . 2]" 1
425 1 17 GLN HA 1 20 ILE HG13 . . 4.370 3.376 2.982 3.706 . 0 0 "[ . 1 . 2]" 1
426 1 17 GLN QB 1 17 GLN HE22 . . 4.800 3.961 3.753 4.160 . 0 0 "[ . 1 . 2]" 1
427 1 17 GLN QB 1 18 LYS H . . 4.070 2.769 2.615 3.034 . 0 0 "[ . 1 . 2]" 1
428 1 17 GLN QB 1 18 LYS HB3 . . 4.480 4.230 4.005 4.540 0.060 1 0 "[ . 1 . 2]" 1
429 1 17 GLN HE21 1 17 GLN HG3 . . 3.440 2.257 2.095 2.348 . 0 0 "[ . 1 . 2]" 1
430 1 17 GLN HE22 1 17 GLN HG2 . . 3.890 3.932 3.776 3.968 0.078 18 0 "[ . 1 . 2]" 1
431 1 17 GLN HG2 1 20 ILE MD . . 5.500 5.242 4.875 5.577 0.077 8 0 "[ . 1 . 2]" 1
432 1 17 GLN HG3 1 18 LYS H . . 4.850 4.887 4.809 4.918 0.068 2 0 "[ . 1 . 2]" 1
433 1 18 LYS H 1 18 LYS HB2 . . 3.700 3.628 3.501 3.723 0.023 8 0 "[ . 1 . 2]" 1
434 1 18 LYS H 1 18 LYS HB3 . . 3.110 2.581 2.239 2.755 . 0 0 "[ . 1 . 2]" 1
435 1 18 LYS H 1 18 LYS HD2 . . 3.300 3.128 2.793 3.385 0.085 13 0 "[ . 1 . 2]" 1
436 1 18 LYS H 1 18 LYS HD3 . . 4.680 3.754 3.158 4.139 . 0 0 "[ . 1 . 2]" 1
437 1 18 LYS H 1 18 LYS QE . . 4.650 4.717 4.592 4.745 0.095 16 0 "[ . 1 . 2]" 1
438 1 18 LYS H 1 18 LYS HG2 . . 4.580 2.397 1.721 2.913 . 0 0 "[ . 1 . 2]" 1
439 1 18 LYS H 1 18 LYS QG . . 3.810 2.367 1.714 2.859 . 0 0 "[ . 1 . 2]" 1
440 1 18 LYS H 1 18 LYS HG3 . . 4.580 3.767 3.185 4.153 . 0 0 "[ . 1 . 2]" 1
441 1 18 LYS H 1 19 LYS H . . 3.430 2.627 2.434 2.768 . 0 0 "[ . 1 . 2]" 1
442 1 18 LYS H 1 19 LYS HB2 . . 5.500 4.683 4.430 4.922 . 0 0 "[ . 1 . 2]" 1
443 1 18 LYS H 1 19 LYS QG . . 5.500 4.651 4.162 5.339 . 0 0 "[ . 1 . 2]" 1
444 1 18 LYS H 1 20 ILE H . . 4.940 4.308 4.181 4.390 . 0 0 "[ . 1 . 2]" 1
445 1 18 LYS H 1 21 LYS H . . 5.440 5.328 5.183 5.494 0.054 12 0 "[ . 1 . 2]" 1
446 1 18 LYS HA 1 18 LYS QE . . 5.330 5.160 4.477 5.423 0.093 8 0 "[ . 1 . 2]" 1
447 1 18 LYS HA 1 21 LYS H . . 3.910 3.388 3.216 3.495 . 0 0 "[ . 1 . 2]" 1
448 1 18 LYS HA 1 21 LYS QD . . 4.220 3.384 2.551 4.081 . 0 0 "[ . 1 . 2]" 1
449 1 18 LYS HA 1 21 LYS QE . . 3.590 2.136 1.894 2.393 . 0 0 "[ . 1 . 2]" 1
450 1 18 LYS HA 1 21 LYS HG2 . . 4.340 4.250 3.961 4.407 0.067 13 0 "[ . 1 . 2]" 1
451 1 18 LYS HA 1 21 LYS HG3 . . 3.550 2.559 2.273 2.701 . 0 0 "[ . 1 . 2]" 1
452 1 18 LYS HB2 1 18 LYS HD2 . . 3.960 3.391 3.083 3.703 . 0 0 "[ . 1 . 2]" 1
453 1 18 LYS HB2 1 18 LYS QE . . 3.800 3.243 2.253 3.872 0.072 8 0 "[ . 1 . 2]" 1
454 1 18 LYS HB2 1 19 LYS H . . 5.500 3.967 3.761 4.160 . 0 0 "[ . 1 . 2]" 1
455 1 18 LYS HB2 1 21 LYS H . . 5.100 5.021 4.751 5.151 0.051 13 0 "[ . 1 . 2]" 1
456 1 18 LYS HB2 1 21 LYS QE . . 3.760 3.342 2.449 3.837 0.077 11 0 "[ . 1 . 2]" 1
457 1 18 LYS HB3 1 18 LYS HD2 . . 3.660 2.293 2.100 2.515 . 0 0 "[ . 1 . 2]" 1
458 1 18 LYS HB3 1 18 LYS HD3 . . 4.130 3.532 3.162 3.681 . 0 0 "[ . 1 . 2]" 1
459 1 18 LYS HB3 1 18 LYS QE . . 3.790 3.420 2.841 3.860 0.070 8 0 "[ . 1 . 2]" 1
460 1 18 LYS HB3 1 19 LYS H . . 4.030 4.056 3.827 4.100 0.070 11 0 "[ . 1 . 2]" 1
461 1 18 LYS HD2 1 19 LYS H . . 5.330 4.497 4.167 4.923 . 0 0 "[ . 1 . 2]" 1
462 1 18 LYS HD3 1 19 LYS H . . 5.290 4.179 3.778 4.699 . 0 0 "[ . 1 . 2]" 1
463 1 18 LYS QE 1 18 LYS HG2 . . 3.820 3.248 2.669 3.513 . 0 0 "[ . 1 . 2]" 1
464 1 18 LYS QE 1 18 LYS QG . . 3.200 2.252 1.967 2.876 . 0 0 "[ . 1 . 2]" 1
465 1 18 LYS QE 1 18 LYS HG3 . . 3.820 2.305 2.006 3.054 . 0 0 "[ . 1 . 2]" 1
466 1 18 LYS QE 1 19 LYS H . . 5.230 4.986 4.590 5.308 0.078 14 0 "[ . 1 . 2]" 1
467 1 18 LYS QE 1 22 GLU HG3 . . 5.500 5.363 4.596 5.580 0.080 18 0 "[ . 1 . 2]" 1
468 1 18 LYS QG 1 19 LYS H . . 3.170 2.151 1.993 2.387 . 0 0 "[ . 1 . 2]" 1
469 1 18 LYS QG 1 20 ILE H . . 5.160 4.645 4.435 4.801 . 0 0 "[ . 1 . 2]" 1
470 1 18 LYS QG 1 22 GLU HG3 . . 4.920 3.825 3.300 4.520 . 0 0 "[ . 1 . 2]" 1
471 1 19 LYS H 1 19 LYS HB2 . . 3.660 2.381 2.091 2.587 . 0 0 "[ . 1 . 2]" 1
472 1 19 LYS H 1 19 LYS HB3 . . 3.770 3.580 3.416 3.674 . 0 0 "[ . 1 . 2]" 1
473 1 19 LYS H 1 19 LYS HD2 . . 5.350 4.095 3.608 4.869 . 0 0 "[ . 1 . 2]" 1
474 1 19 LYS H 1 19 LYS QD . . 4.560 3.868 3.412 4.511 . 0 0 "[ . 1 . 2]" 1
475 1 19 LYS H 1 19 LYS HD3 . . 5.350 4.774 4.204 5.330 . 0 0 "[ . 1 . 2]" 1
476 1 19 LYS H 1 19 LYS QE . . 5.500 4.948 4.412 5.517 0.017 11 0 "[ . 1 . 2]" 1
477 1 19 LYS H 1 19 LYS QG . . 4.150 2.573 2.252 3.085 . 0 0 "[ . 1 . 2]" 1
478 1 19 LYS H 1 20 ILE H . . 3.990 2.918 2.836 2.995 . 0 0 "[ . 1 . 2]" 1
479 1 19 LYS H 1 20 ILE HA . . 5.370 5.425 5.367 5.439 0.069 13 0 "[ . 1 . 2]" 1
480 1 19 LYS H 1 20 ILE MD . . 4.690 4.407 4.168 4.657 . 0 0 "[ . 1 . 2]" 1
481 1 19 LYS H 1 20 ILE HG12 . . 4.550 4.410 4.168 4.585 0.035 19 0 "[ . 1 . 2]" 1
482 1 19 LYS H 1 21 LYS H . . 4.770 4.461 4.254 4.587 . 0 0 "[ . 1 . 2]" 1
483 1 19 LYS H 1 21 LYS QE . . 5.500 5.293 4.931 5.563 0.063 12 0 "[ . 1 . 2]" 1
484 1 19 LYS H 1 22 GLU H . . 4.920 4.765 4.637 4.943 0.023 12 0 "[ . 1 . 2]" 1
485 1 19 LYS H 1 22 GLU HG3 . . 5.170 4.638 4.218 5.022 . 0 0 "[ . 1 . 2]" 1
486 1 19 LYS HA 1 19 LYS QD . . 4.670 3.938 3.703 4.039 . 0 0 "[ . 1 . 2]" 1
487 1 19 LYS HA 1 19 LYS QE . . 4.700 4.634 4.178 4.783 0.083 7 0 "[ . 1 . 2]" 1
488 1 19 LYS HA 1 20 ILE HA . . 4.900 4.764 4.666 4.845 . 0 0 "[ . 1 . 2]" 1
489 1 19 LYS HA 1 20 ILE MD . . 4.890 4.816 4.550 4.977 0.087 12 0 "[ . 1 . 2]" 1
490 1 19 LYS HA 1 22 GLU H . . 3.800 3.047 2.917 3.168 . 0 0 "[ . 1 . 2]" 1
491 1 19 LYS HA 1 22 GLU QB . . 3.120 2.327 2.146 2.598 . 0 0 "[ . 1 . 2]" 1
492 1 19 LYS HB2 1 19 LYS QD . . 3.580 2.475 2.232 2.708 . 0 0 "[ . 1 . 2]" 1
493 1 19 LYS HB2 1 20 ILE H . . 4.080 3.089 2.860 3.391 . 0 0 "[ . 1 . 2]" 1
494 1 19 LYS HB2 1 21 LYS H . . 5.500 5.411 5.214 5.557 0.057 15 0 "[ . 1 . 2]" 1
495 1 19 LYS HB2 1 22 GLU H . . 5.500 5.397 5.264 5.528 0.028 12 0 "[ . 1 . 2]" 1
496 1 19 LYS HB3 1 19 LYS QD . . 3.510 2.452 2.214 2.690 . 0 0 "[ . 1 . 2]" 1
497 1 19 LYS HB3 1 20 ILE H . . 3.870 3.678 3.438 3.819 . 0 0 "[ . 1 . 2]" 1
498 1 19 LYS HB3 1 20 ILE HA . . 4.400 4.264 4.047 4.414 0.014 3 0 "[ . 1 . 2]" 1
499 1 19 LYS HB3 1 20 ILE MD . . 3.640 3.550 3.306 3.734 0.094 9 0 "[ . 1 . 2]" 1
500 1 19 LYS HB3 1 20 ILE HG12 . . 5.210 5.219 4.828 5.275 0.065 8 0 "[ . 1 . 2]" 1
501 1 19 LYS HB3 1 23 ARG H . . 4.780 4.466 4.181 4.722 . 0 0 "[ . 1 . 2]" 1
502 1 19 LYS HB3 1 23 ARG HG2 . . 5.160 4.463 3.882 4.752 . 0 0 "[ . 1 . 2]" 1
503 1 19 LYS HB3 1 23 ARG HG3 . . 4.920 4.682 4.293 4.969 0.049 18 0 "[ . 1 . 2]" 1
504 1 19 LYS QG 1 20 ILE H . . 5.250 4.472 4.271 4.655 . 0 0 "[ . 1 . 2]" 1
505 1 19 LYS QG 1 22 GLU H . . 5.280 4.907 4.607 5.148 . 0 0 "[ . 1 . 2]" 1
506 1 20 ILE H 1 20 ILE HB . . 3.360 2.808 2.674 2.905 . 0 0 "[ . 1 . 2]" 1
507 1 20 ILE H 1 20 ILE MD . . 3.450 2.503 2.316 2.693 . 0 0 "[ . 1 . 2]" 1
508 1 20 ILE H 1 20 ILE HG12 . . 3.880 2.103 1.970 2.230 . 0 0 "[ . 1 . 2]" 1
509 1 20 ILE H 1 20 ILE HG13 . . 3.610 3.611 3.500 3.673 0.063 11 0 "[ . 1 . 2]" 1
510 1 20 ILE H 1 20 ILE MG . . 3.750 3.802 3.764 3.827 0.077 19 0 "[ . 1 . 2]" 1
511 1 20 ILE H 1 21 LYS H . . 3.880 2.746 2.632 2.880 . 0 0 "[ . 1 . 2]" 1
512 1 20 ILE H 1 21 LYS QB . . 5.050 4.938 4.808 5.040 . 0 0 "[ . 1 . 2]" 1
513 1 20 ILE H 1 21 LYS QE . . 5.500 5.243 4.777 5.576 0.076 18 0 "[ . 1 . 2]" 1
514 1 20 ILE H 1 21 LYS HG3 . . 5.500 4.102 3.786 4.353 . 0 0 "[ . 1 . 2]" 1
515 1 20 ILE H 1 22 GLU H . . 4.710 3.964 3.862 4.092 . 0 0 "[ . 1 . 2]" 1
516 1 20 ILE H 1 22 GLU HG3 . . 5.290 5.274 4.999 5.354 0.064 12 0 "[ . 1 . 2]" 1
517 1 20 ILE H 1 23 ARG QD . . 5.500 5.419 5.120 5.581 0.081 2 0 "[ . 1 . 2]" 1
518 1 20 ILE HA 1 20 ILE MD . . 3.420 2.326 2.200 2.449 . 0 0 "[ . 1 . 2]" 1
519 1 20 ILE HA 1 20 ILE HG13 . . 3.900 3.836 3.748 3.926 0.026 16 0 "[ . 1 . 2]" 1
520 1 20 ILE HA 1 20 ILE MG . . 3.400 2.306 2.240 2.375 . 0 0 "[ . 1 . 2]" 1
521 1 20 ILE HA 1 22 GLU H . . 4.570 4.138 3.995 4.252 . 0 0 "[ . 1 . 2]" 1
522 1 20 ILE HA 1 23 ARG H . . 3.970 3.697 3.523 3.898 . 0 0 "[ . 1 . 2]" 1
523 1 20 ILE HA 1 23 ARG QD . . 4.460 2.878 2.566 3.084 . 0 0 "[ . 1 . 2]" 1
524 1 20 ILE HA 1 23 ARG HG3 . . 4.380 2.316 2.095 2.611 . 0 0 "[ . 1 . 2]" 1
525 1 20 ILE HA 1 24 ILE H . . 4.610 4.274 4.062 4.549 . 0 0 "[ . 1 . 2]" 1
526 1 20 ILE HB 1 20 ILE MD . . 3.380 3.266 3.231 3.288 . 0 0 "[ . 1 . 2]" 1
527 1 20 ILE HB 1 21 LYS H . . 4.600 2.704 2.450 2.929 . 0 0 "[ . 1 . 2]" 1
528 1 20 ILE MD 1 23 ARG H . . 5.130 5.140 4.885 5.216 0.086 13 0 "[ . 1 . 2]" 1
529 1 20 ILE MD 1 23 ARG QD . . 4.960 3.724 3.349 3.950 . 0 0 "[ . 1 . 2]" 1
530 1 20 ILE HG12 1 20 ILE MG . . 3.260 3.190 3.159 3.220 . 0 0 "[ . 1 . 2]" 1
531 1 20 ILE HG12 1 21 LYS H . . 4.390 3.986 3.700 4.156 . 0 0 "[ . 1 . 2]" 1
532 1 20 ILE HG13 1 20 ILE MG . . 3.080 2.240 2.188 2.306 . 0 0 "[ . 1 . 2]" 1
533 1 20 ILE MG 1 21 LYS H . . 4.180 3.792 3.596 3.986 . 0 0 "[ . 1 . 2]" 1
534 1 20 ILE MG 1 23 ARG QD . . 3.890 2.680 2.346 3.213 . 0 0 "[ . 1 . 2]" 1
535 1 20 ILE MG 1 23 ARG HG3 . . 3.980 3.630 3.331 3.987 0.007 13 0 "[ . 1 . 2]" 1
536 1 21 LYS H 1 21 LYS QB . . 2.950 2.638 2.563 2.733 . 0 0 "[ . 1 . 2]" 1
537 1 21 LYS H 1 21 LYS QD . . 4.360 3.996 3.723 4.249 . 0 0 "[ . 1 . 2]" 1
538 1 21 LYS H 1 21 LYS QE . . 4.930 3.837 3.648 4.045 . 0 0 "[ . 1 . 2]" 1
539 1 21 LYS H 1 21 LYS HG2 . . 3.950 2.967 2.772 3.227 . 0 0 "[ . 1 . 2]" 1
540 1 21 LYS H 1 21 LYS HG3 . . 3.420 2.014 1.836 2.207 . 0 0 "[ . 1 . 2]" 1
541 1 21 LYS H 1 22 GLU H . . 3.420 2.543 2.368 2.694 . 0 0 "[ . 1 . 2]" 1
542 1 21 LYS H 1 22 GLU QB . . 5.400 4.650 4.493 4.841 . 0 0 "[ . 1 . 2]" 1
543 1 21 LYS H 1 22 GLU HG3 . . 4.700 4.202 3.973 4.402 . 0 0 "[ . 1 . 2]" 1
544 1 21 LYS H 1 23 ARG HG3 . . 4.760 4.620 4.459 4.820 0.060 13 0 "[ . 1 . 2]" 1
545 1 21 LYS H 1 24 ILE H . . 5.070 4.912 4.767 5.074 0.004 5 0 "[ . 1 . 2]" 1
546 1 21 LYS H 1 24 ILE MG . . 4.520 3.972 3.877 4.045 . 0 0 "[ . 1 . 2]" 1
547 1 21 LYS HA 1 21 LYS QD . . 4.000 4.002 3.806 4.075 0.075 2 0 "[ . 1 . 2]" 1
548 1 21 LYS HA 1 21 LYS QE . . 5.190 4.847 4.473 5.261 0.071 5 0 "[ . 1 . 2]" 1
549 1 21 LYS HA 1 21 LYS HG2 . . 4.090 2.711 2.548 2.877 . 0 0 "[ . 1 . 2]" 1
550 1 21 LYS HA 1 21 LYS HG3 . . 3.900 3.421 3.290 3.569 . 0 0 "[ . 1 . 2]" 1
551 1 21 LYS HA 1 22 GLU HG3 . . 5.500 5.401 5.047 5.571 0.071 13 0 "[ . 1 . 2]" 1
552 1 21 LYS HA 1 24 ILE H . . 5.500 3.705 3.555 3.827 . 0 0 "[ . 1 . 2]" 1
553 1 21 LYS HA 1 24 ILE MD . . 3.900 3.996 3.979 4.005 0.105 12 0 "[ . 1 . 2]" 1
554 1 21 LYS HA 1 24 ILE MG . . 3.430 1.969 1.910 2.047 . 0 0 "[ . 1 . 2]" 1
555 1 21 LYS QB 1 22 GLU H . . 3.100 2.783 2.679 2.908 . 0 0 "[ . 1 . 2]" 1
556 1 21 LYS QB 1 22 GLU HG2 . . 4.650 4.049 3.686 4.435 . 0 0 "[ . 1 . 2]" 1
557 1 21 LYS QB 1 24 ILE MG . . 3.620 3.400 3.303 3.485 . 0 0 "[ . 1 . 2]" 1
558 1 21 LYS QB 1 25 GLN QB . . 4.950 3.772 3.517 4.025 . 0 0 "[ . 1 . 2]" 1
559 1 21 LYS QB 1 26 ASN HD21 . . 5.500 5.567 5.503 5.591 0.091 17 0 "[ . 1 . 2]" 1
560 1 21 LYS QE 1 21 LYS HG2 . . 3.860 3.083 2.363 3.422 . 0 0 "[ . 1 . 2]" 1
561 1 21 LYS QE 1 21 LYS HG3 . . 3.140 2.312 2.132 2.438 . 0 0 "[ . 1 . 2]" 1
562 1 21 LYS QE 1 22 GLU H . . 5.500 5.040 4.238 5.583 0.083 7 0 "[ . 1 . 2]" 1
563 1 21 LYS HG2 1 22 GLU H . . 4.860 4.855 4.732 4.922 0.062 11 0 "[ . 1 . 2]" 1
564 1 21 LYS HG3 1 22 GLU H . . 4.050 4.027 3.812 4.115 0.065 1 0 "[ . 1 . 2]" 1
565 1 22 GLU H 1 22 GLU QB . . 3.080 2.440 2.351 2.534 . 0 0 "[ . 1 . 2]" 1
566 1 22 GLU H 1 22 GLU HG2 . . 3.550 3.555 3.260 3.619 0.069 1 0 "[ . 1 . 2]" 1
567 1 22 GLU H 1 22 GLU HG3 . . 3.450 2.407 2.277 2.502 . 0 0 "[ . 1 . 2]" 1
568 1 22 GLU H 1 23 ARG H . . 3.700 2.628 2.542 2.746 . 0 0 "[ . 1 . 2]" 1
569 1 22 GLU H 1 23 ARG QD . . 5.210 5.266 5.142 5.301 0.091 3 0 "[ . 1 . 2]" 1
570 1 22 GLU H 1 23 ARG HG3 . . 3.860 3.916 3.848 3.940 0.080 16 0 "[ . 1 . 2]" 1
571 1 22 GLU H 1 24 ILE H . . 4.420 4.004 3.801 4.165 . 0 0 "[ . 1 . 2]" 1
572 1 22 GLU H 1 24 ILE MG . . 3.950 3.893 3.767 3.982 0.032 19 0 "[ . 1 . 2]" 1
573 1 22 GLU H 1 25 GLN H . . 4.620 4.669 4.622 4.685 0.065 7 0 "[ . 1 . 2]" 1
574 1 22 GLU H 1 26 ASN HD21 . . 5.500 4.832 4.688 4.937 . 0 0 "[ . 1 . 2]" 1
575 1 22 GLU HA 1 22 GLU HG2 . . 2.950 2.416 2.298 2.586 . 0 0 "[ . 1 . 2]" 1
576 1 22 GLU HA 1 22 GLU HG3 . . 3.570 2.997 2.835 3.236 . 0 0 "[ . 1 . 2]" 1
577 1 22 GLU HA 1 25 GLN QB . . 2.990 2.998 2.679 3.070 0.080 3 0 "[ . 1 . 2]" 1
578 1 22 GLU HA 1 26 ASN H . . 4.000 3.375 3.286 3.498 . 0 0 "[ . 1 . 2]" 1
579 1 22 GLU QB 1 23 ARG H . . 3.390 2.465 2.323 2.599 . 0 0 "[ . 1 . 2]" 1
580 1 22 GLU QB 1 24 ILE H . . 4.930 4.723 4.589 4.886 . 0 0 "[ . 1 . 2]" 1
581 1 22 GLU QB 1 26 ASN QB . . 5.500 3.875 3.655 4.030 . 0 0 "[ . 1 . 2]" 1
582 1 22 GLU QB 1 26 ASN HD21 . . 4.640 2.869 2.631 3.146 . 0 0 "[ . 1 . 2]" 1
583 1 22 GLU QB 1 26 ASN HD22 . . 4.460 3.333 3.109 3.651 . 0 0 "[ . 1 . 2]" 1
584 1 22 GLU QB 1 27 SER H . . 5.350 5.322 5.064 5.433 0.083 16 0 "[ . 1 . 2]" 1
585 1 22 GLU HG2 1 26 ASN H . . 5.500 5.550 5.437 5.572 0.072 8 0 "[ . 1 . 2]" 1
586 1 22 GLU HG2 1 26 ASN HD21 . . 3.890 3.751 3.565 3.883 . 0 0 "[ . 1 . 2]" 1
587 1 22 GLU HG2 1 26 ASN HD22 . . 4.290 3.342 3.126 3.479 . 0 0 "[ . 1 . 2]" 1
588 1 22 GLU HG3 1 23 ARG H . . 4.310 4.348 4.154 4.376 0.066 5 0 "[ . 1 . 2]" 1
589 1 22 GLU HG3 1 26 ASN HD21 . . 4.870 4.835 4.707 4.932 0.062 15 0 "[ . 1 . 2]" 1
590 1 22 GLU HG3 1 26 ASN HD22 . . 4.910 4.872 4.624 4.973 0.063 20 0 "[ . 1 . 2]" 1
591 1 23 ARG H 1 23 ARG QB . . 3.100 2.620 2.508 2.734 . 0 0 "[ . 1 . 2]" 1
592 1 23 ARG H 1 23 ARG QD . . 3.840 3.778 3.692 3.883 0.043 3 0 "[ . 1 . 2]" 1
593 1 23 ARG H 1 23 ARG HG2 . . 3.370 3.332 3.158 3.423 0.053 15 0 "[ . 1 . 2]" 1
594 1 23 ARG H 1 23 ARG HG3 . . 3.120 2.112 2.009 2.232 . 0 0 "[ . 1 . 2]" 1
595 1 23 ARG H 1 24 ILE H . . 3.680 2.871 2.810 2.965 . 0 0 "[ . 1 . 2]" 1
596 1 23 ARG H 1 24 ILE HA . . 5.500 5.450 5.408 5.514 0.014 17 0 "[ . 1 . 2]" 1
597 1 23 ARG H 1 24 ILE HB . . 5.350 5.311 5.140 5.404 0.054 20 0 "[ . 1 . 2]" 1
598 1 23 ARG H 1 25 GLN H . . 4.420 4.460 4.379 4.487 0.067 15 0 "[ . 1 . 2]" 1
599 1 23 ARG HA 1 23 ARG QD . . 4.170 4.103 3.972 4.232 0.062 16 0 "[ . 1 . 2]" 1
600 1 23 ARG HA 1 23 ARG HG3 . . 3.750 3.687 3.647 3.726 . 0 0 "[ . 1 . 2]" 1
601 1 23 ARG HA 1 26 ASN QB . . 5.500 3.408 2.994 3.548 . 0 0 "[ . 1 . 2]" 1
602 1 23 ARG QB 1 23 ARG QD . . 3.320 2.733 2.531 2.933 . 0 0 "[ . 1 . 2]" 1
603 1 23 ARG QB 1 24 ILE H . . 3.680 3.619 3.498 3.735 0.055 14 0 "[ . 1 . 2]" 1
604 1 23 ARG QD 1 24 ILE H . . 4.560 2.538 2.261 2.905 . 0 0 "[ . 1 . 2]" 1
605 1 23 ARG QD 1 25 GLN H . . 5.500 4.891 4.712 5.114 . 0 0 "[ . 1 . 2]" 1
606 1 23 ARG HG3 1 24 ILE H . . 3.970 2.711 2.437 2.819 . 0 0 "[ . 1 . 2]" 1
607 1 23 ARG HG3 1 24 ILE HA . . 4.940 4.912 4.685 4.997 0.057 8 0 "[ . 1 . 2]" 1
608 1 23 ARG HG3 1 24 ILE MG . . 4.250 3.934 3.669 4.157 . 0 0 "[ . 1 . 2]" 1
609 1 23 ARG HG3 1 25 GLN H . . 5.500 5.199 5.014 5.312 . 0 0 "[ . 1 . 2]" 1
610 1 24 ILE H 1 24 ILE MD . . 4.530 4.377 4.320 4.457 . 0 0 "[ . 1 . 2]" 1
611 1 24 ILE H 1 24 ILE HG12 . . 4.610 4.497 4.433 4.531 . 0 0 "[ . 1 . 2]" 1
612 1 24 ILE H 1 24 ILE HG13 . . 4.900 4.544 4.441 4.629 . 0 0 "[ . 1 . 2]" 1
613 1 24 ILE H 1 24 ILE MG . . 3.440 1.919 1.809 2.061 . 0 0 "[ . 1 . 2]" 1
614 1 24 ILE H 1 25 GLN H . . 5.220 2.658 2.505 2.824 . 0 0 "[ . 1 . 2]" 1
615 1 24 ILE H 1 25 GLN QB . . 5.180 4.395 4.210 4.552 . 0 0 "[ . 1 . 2]" 1
616 1 24 ILE HA 1 24 ILE MD . . 4.100 3.886 3.851 3.915 . 0 0 "[ . 1 . 2]" 1
617 1 24 ILE HA 1 24 ILE HG12 . . 4.150 2.990 2.858 3.152 . 0 0 "[ . 1 . 2]" 1
618 1 24 ILE HA 1 24 ILE MG . . 3.300 3.241 3.214 3.265 . 0 0 "[ . 1 . 2]" 1
619 1 24 ILE HA 1 27 SER H . . 4.450 4.420 4.239 4.501 0.051 13 0 "[ . 1 . 2]" 1
620 1 24 ILE HB 1 24 ILE MD . . 3.220 2.500 2.425 2.564 . 0 0 "[ . 1 . 2]" 1
621 1 24 ILE HB 1 25 GLN H . . 4.010 4.001 3.917 4.055 0.045 18 0 "[ . 1 . 2]" 1
622 1 24 ILE MD 1 25 GLN HA . . 4.640 4.706 4.667 4.733 0.093 3 0 "[ . 1 . 2]" 1
623 1 24 ILE MD 1 25 GLN QB . . 4.610 4.604 4.516 4.690 0.080 3 0 "[ . 1 . 2]" 1
624 1 24 ILE MD 1 25 GLN QG . . 5.500 5.571 5.423 5.603 0.103 2 0 "[ . 1 . 2]" 1
625 1 24 ILE HG12 1 24 ILE MG . . 3.490 2.513 2.363 2.578 . 0 0 "[ . 1 . 2]" 1
626 1 24 ILE HG12 1 25 GLN H . . 5.500 3.903 3.608 4.069 . 0 0 "[ . 1 . 2]" 1
627 1 24 ILE HG12 1 25 GLN QG . . 5.500 5.446 4.990 5.562 0.062 14 0 "[ . 1 . 2]" 1
628 1 24 ILE HG13 1 25 GLN H . . 5.090 4.929 4.691 5.040 . 0 0 "[ . 1 . 2]" 1
629 1 24 ILE MG 1 25 GLN H . . 3.360 2.085 2.001 2.181 . 0 0 "[ . 1 . 2]" 1
630 1 24 ILE MG 1 25 GLN HA . . 3.600 3.473 3.380 3.540 . 0 0 "[ . 1 . 2]" 1
631 1 24 ILE MG 1 25 GLN QB . . 3.580 2.839 2.751 2.900 . 0 0 "[ . 1 . 2]" 1
632 1 24 ILE MG 1 25 GLN QG . . 4.340 4.350 4.202 4.424 0.084 5 0 "[ . 1 . 2]" 1
633 1 25 GLN H 1 25 GLN QB . . 2.970 2.199 2.156 2.247 . 0 0 "[ . 1 . 2]" 1
634 1 25 GLN H 1 25 GLN QG . . 4.060 3.947 3.907 3.979 . 0 0 "[ . 1 . 2]" 1
635 1 25 GLN H 1 26 ASN HA . . 5.470 5.343 5.286 5.424 . 0 0 "[ . 1 . 2]" 1
636 1 25 GLN H 1 26 ASN QB . . 4.770 4.797 4.637 4.840 0.070 19 0 "[ . 1 . 2]" 1
637 1 25 GLN H 1 27 SER H . . 4.310 4.255 4.156 4.332 0.022 6 0 "[ . 1 . 2]" 1
638 1 25 GLN HA 1 25 GLN QG . . 3.260 2.413 2.258 2.494 . 0 0 "[ . 1 . 2]" 1
639 1 25 GLN HA 1 27 SER H . . 5.270 5.057 4.912 5.218 . 0 0 "[ . 1 . 2]" 1
640 1 25 GLN QB 1 25 GLN HE21 . . 3.760 3.223 2.408 3.666 . 0 0 "[ . 1 . 2]" 1
641 1 25 GLN QB 1 25 GLN QE . . 3.270 3.033 2.366 3.337 0.067 6 0 "[ . 1 . 2]" 1
642 1 25 GLN QB 1 25 GLN HE22 . . 3.760 3.762 3.466 3.847 0.087 11 0 "[ . 1 . 2]" 1
643 1 25 GLN QB 1 26 ASN H . . 3.280 2.436 2.345 2.643 . 0 0 "[ . 1 . 2]" 1
644 1 25 GLN QB 1 26 ASN HA . . 4.400 4.160 4.080 4.289 . 0 0 "[ . 1 . 2]" 1
645 1 25 GLN QB 1 26 ASN HD21 . . 4.920 2.914 2.348 3.142 . 0 0 "[ . 1 . 2]" 1
646 1 25 GLN QB 1 26 ASN HD22 . . 4.720 3.436 2.888 3.735 . 0 0 "[ . 1 . 2]" 1
647 1 25 GLN QB 1 27 SER H . . 5.500 4.754 4.658 4.891 . 0 0 "[ . 1 . 2]" 1
648 1 25 GLN QE 1 25 GLN QG . . 2.950 2.247 2.157 2.755 . 0 0 "[ . 1 . 2]" 1
649 1 25 GLN HE22 1 25 GLN QG . . 3.730 3.332 3.289 3.511 . 0 0 "[ . 1 . 2]" 1
650 1 25 GLN QG 1 26 ASN H . . 3.830 3.740 3.576 3.877 0.047 3 0 "[ . 1 . 2]" 1
651 1 25 GLN QG 1 26 ASN HA . . 4.820 3.827 3.596 4.082 . 0 0 "[ . 1 . 2]" 1
652 1 26 ASN H 1 26 ASN QB . . 3.040 2.460 2.377 2.535 . 0 0 "[ . 1 . 2]" 1
653 1 26 ASN H 1 26 ASN HD21 . . 4.190 2.085 1.953 2.332 . 0 0 "[ . 1 . 2]" 1
654 1 26 ASN H 1 26 ASN HD22 . . 4.140 3.523 3.249 3.677 . 0 0 "[ . 1 . 2]" 1
655 1 26 ASN H 1 27 SER H . . 3.640 2.570 2.441 2.665 . 0 0 "[ . 1 . 2]" 1
656 1 26 ASN H 1 27 SER HA . . 5.050 4.764 4.576 4.883 . 0 0 "[ . 1 . 2]" 1
657 1 26 ASN H 1 27 SER QB . . 4.340 4.311 4.131 4.429 0.089 8 0 "[ . 1 . 2]" 1
658 1 26 ASN HA 1 26 ASN HD21 . . 3.970 3.786 3.515 4.009 0.039 18 0 "[ . 1 . 2]" 1
659 1 26 ASN HA 1 26 ASN HD22 . . 4.320 4.303 4.177 4.380 0.060 8 0 "[ . 1 . 2]" 1
660 1 26 ASN HA 1 27 SER QB . . 4.580 4.375 4.182 4.509 . 0 0 "[ . 1 . 2]" 1
661 1 26 ASN HA 1 28 LEU H . . 4.700 4.106 3.666 4.743 0.043 16 0 "[ . 1 . 2]" 1
662 1 26 ASN HA 1 28 LEU MD1 . . 5.500 4.175 4.016 4.377 . 0 0 "[ . 1 . 2]" 1
663 1 26 ASN QB 1 26 ASN HD21 . . 3.060 2.366 2.289 2.609 . 0 0 "[ . 1 . 2]" 1
664 1 26 ASN QB 1 27 SER H . . 3.500 2.352 2.185 2.480 . 0 0 "[ . 1 . 2]" 1
665 1 26 ASN QB 1 27 SER HA . . 4.530 4.051 3.872 4.181 . 0 0 "[ . 1 . 2]" 1
666 1 26 ASN QB 1 27 SER QB . . 4.600 4.402 4.296 4.504 . 0 0 "[ . 1 . 2]" 1
667 1 26 ASN QB 1 28 LEU H . . 3.390 2.655 2.446 3.049 . 0 0 "[ . 1 . 2]" 1
668 1 26 ASN QB 1 28 LEU MD2 . . 4.280 3.166 2.666 3.455 . 0 0 "[ . 1 . 2]" 1
669 1 26 ASN QB 1 29 SER H . . 5.500 5.522 5.393 5.585 0.085 3 0 "[ . 1 . 2]" 1
670 1 26 ASN HD21 1 27 SER H . . 4.770 3.916 3.789 4.051 . 0 0 "[ . 1 . 2]" 1
671 1 26 ASN HD21 1 28 LEU MD1 . . 5.220 5.283 5.198 5.307 0.087 20 0 "[ . 1 . 2]" 1
672 1 26 ASN HD22 1 27 SER H . . 5.440 5.480 5.378 5.514 0.074 18 0 "[ . 1 . 2]" 1
673 1 27 SER H 1 27 SER QB . . 3.110 2.845 2.759 3.007 . 0 0 "[ . 1 . 2]" 1
674 1 27 SER H 1 28 LEU HB3 . . 5.500 5.484 5.331 5.569 0.069 4 0 "[ . 1 . 2]" 1
675 1 27 SER H 1 28 LEU MD1 . . 4.940 4.836 4.443 4.973 0.033 13 0 "[ . 1 . 2]" 1
676 1 27 SER H 1 28 LEU HG . . 4.240 4.110 3.890 4.272 0.032 5 0 "[ . 1 . 2]" 1
677 1 27 SER HA 1 28 LEU H . . 3.100 2.957 2.637 3.186 0.086 4 0 "[ . 1 . 2]" 1
678 1 27 SER HA 1 28 LEU HB3 . . 5.500 5.259 5.026 5.515 0.015 20 0 "[ . 1 . 2]" 1
679 1 27 SER HA 1 28 LEU MD1 . . 5.400 5.417 4.977 5.496 0.096 9 0 "[ . 1 . 2]" 1
680 1 27 SER HA 1 28 LEU HG . . 4.980 4.864 4.556 5.045 0.065 18 0 "[ . 1 . 2]" 1
681 1 27 SER QB 1 28 LEU H . . 4.090 3.721 2.812 4.017 . 0 0 "[ . 1 . 2]" 1
682 1 27 SER QB 1 28 LEU HA . . 4.720 4.668 4.332 4.794 0.074 9 0 "[ . 1 . 2]" 1
683 1 27 SER QB 1 28 LEU HB3 . . 4.910 4.397 4.133 4.520 . 0 0 "[ . 1 . 2]" 1
684 1 27 SER QB 1 28 LEU HG . . 4.630 4.613 4.424 4.705 0.075 13 0 "[ . 1 . 2]" 1
685 1 28 LEU H 1 28 LEU HB3 . . 3.510 3.145 2.538 3.479 . 0 0 "[ . 1 . 2]" 1
686 1 28 LEU H 1 28 LEU MD1 . . 3.330 2.965 2.605 3.375 0.045 4 0 "[ . 1 . 2]" 1
687 1 28 LEU H 1 28 LEU MD2 . . 4.270 3.761 3.353 4.114 . 0 0 "[ . 1 . 2]" 1
688 1 28 LEU H 1 28 LEU HG . . 3.010 2.187 1.914 2.626 . 0 0 "[ . 1 . 2]" 1
689 1 28 LEU HA 1 28 LEU MD1 . . 3.630 3.671 3.614 3.711 0.081 7 0 "[ . 1 . 2]" 1
690 1 28 LEU HA 1 28 LEU HG . . 4.010 3.738 3.691 3.815 . 0 0 "[ . 1 . 2]" 1
691 1 28 LEU HA 1 29 SER H . . 3.330 2.505 2.288 2.667 . 0 0 "[ . 1 . 2]" 1
692 1 28 LEU HB2 1 28 LEU MD1 . . 2.930 2.377 2.313 2.559 . 0 0 "[ . 1 . 2]" 1
693 1 28 LEU HB2 1 29 SER H . . 3.660 2.079 1.926 2.590 . 0 0 "[ . 1 . 2]" 1
694 1 28 LEU HB2 1 29 SER HB2 . . 4.470 4.472 4.260 4.539 0.069 7 0 "[ . 1 . 2]" 1
695 1 28 LEU HB2 1 30 THR H . . 4.780 3.278 2.943 3.977 . 0 0 "[ . 1 . 2]" 1
696 1 28 LEU HB3 1 28 LEU MD1 . . 3.170 3.246 3.234 3.256 0.086 5 0 "[ . 1 . 2]" 1
697 1 28 LEU HB3 1 28 LEU MD2 . . 3.170 2.258 2.221 2.340 . 0 0 "[ . 1 . 2]" 1
698 1 28 LEU HB3 1 29 SER H . . 4.780 3.500 3.356 3.788 . 0 0 "[ . 1 . 2]" 1
699 1 28 LEU HB3 1 31 GLU H . . 5.180 4.160 3.734 4.776 . 0 0 "[ . 1 . 2]" 1
700 1 28 LEU HB3 1 31 GLU QG . . 5.500 4.973 4.587 5.571 0.071 8 0 "[ . 1 . 2]" 1
701 1 28 LEU MD1 1 29 SER HA . . 4.050 3.248 3.103 3.603 . 0 0 "[ . 1 . 2]" 1
702 1 28 LEU MD1 1 29 SER HB3 . . 4.790 4.861 4.804 4.881 0.091 2 0 "[ . 1 . 2]" 1
703 1 28 LEU MD1 1 30 THR H . . 4.540 3.115 2.525 3.714 . 0 0 "[ . 1 . 2]" 1
704 1 28 LEU MD1 1 30 THR HA . . 5.030 3.390 2.937 3.681 . 0 0 "[ . 1 . 2]" 1
705 1 28 LEU MD1 1 30 THR HB . . 5.140 4.980 4.592 5.206 0.066 1 0 "[ . 1 . 2]" 1
706 1 28 LEU MD1 1 30 THR MG . . 4.790 4.666 4.356 4.884 0.094 5 0 "[ . 1 . 2]" 1
707 1 28 LEU MD2 1 31 GLU H . . 4.290 2.866 2.122 3.349 . 0 0 "[ . 1 . 2]" 1
708 1 28 LEU MD2 1 31 GLU QB . . 3.830 3.291 3.004 3.606 . 0 0 "[ . 1 . 2]" 1
709 1 28 LEU MD2 1 32 LYS H . . 4.680 4.194 3.456 4.759 0.079 6 0 "[ . 1 . 2]" 1
710 1 29 SER H 1 29 SER HB2 . . 3.090 2.487 2.216 2.664 . 0 0 "[ . 1 . 2]" 1
711 1 29 SER H 1 30 THR MG . . 4.490 4.040 3.731 4.239 . 0 0 "[ . 1 . 2]" 1
712 1 29 SER H 1 31 GLU H . . 5.500 3.063 2.619 3.666 . 0 0 "[ . 1 . 2]" 1
713 1 29 SER HA 1 29 SER HB3 . . 2.810 2.519 2.412 2.635 . 0 0 "[ . 1 . 2]" 1
714 1 29 SER HA 1 30 THR HA . . 4.620 4.644 4.577 4.676 0.056 3 0 "[ . 1 . 2]" 1
715 1 29 SER HA 1 30 THR HB . . 5.050 4.738 4.572 4.950 . 0 0 "[ . 1 . 2]" 1
716 1 29 SER HB2 1 30 THR H . . 3.530 2.454 1.949 2.919 . 0 0 "[ . 1 . 2]" 1
717 1 29 SER HB2 1 30 THR HB . . 4.890 4.112 3.856 4.451 . 0 0 "[ . 1 . 2]" 1
718 1 29 SER HB2 1 31 GLU H . . 4.700 4.584 4.188 4.758 0.058 17 0 "[ . 1 . 2]" 1
719 1 29 SER HB2 1 32 LYS H . . 4.520 4.397 3.900 4.593 0.073 6 0 "[ . 1 . 2]" 1
720 1 29 SER HB2 1 32 LYS QB . . 4.520 3.854 2.953 4.571 0.051 4 0 "[ . 1 . 2]" 1
721 1 29 SER HB2 1 32 LYS QD . . 4.870 4.093 2.156 4.939 0.069 17 0 "[ . 1 . 2]" 1
722 1 29 SER HB3 1 30 THR HA . . 4.810 4.822 4.654 4.880 0.070 19 0 "[ . 1 . 2]" 1
723 1 29 SER HB3 1 30 THR MG . . 3.850 3.333 2.876 3.842 . 0 0 "[ . 1 . 2]" 1
724 1 29 SER HB3 1 32 LYS QD . . 5.330 5.158 3.488 5.409 0.079 11 0 "[ . 1 . 2]" 1
725 1 30 THR H 1 30 THR HB . . 3.610 3.256 2.872 3.580 . 0 0 "[ . 1 . 2]" 1
726 1 30 THR H 1 30 THR MG . . 3.460 2.405 1.936 2.815 . 0 0 "[ . 1 . 2]" 1
727 1 30 THR H 1 31 GLU H . . 3.310 2.279 1.859 3.005 . 0 0 "[ . 1 . 2]" 1
728 1 30 THR H 1 31 GLU QG . . 5.500 4.469 4.028 5.050 . 0 0 "[ . 1 . 2]" 1
729 1 30 THR H 1 32 LYS QB . . 4.520 3.404 2.884 4.093 . 0 0 "[ . 1 . 2]" 1
730 1 30 THR H 1 32 LYS QE . . 5.500 3.750 2.559 4.717 . 0 0 "[ . 1 . 2]" 1
731 1 30 THR HA 1 30 THR MG . . 3.220 3.257 3.225 3.283 0.063 12 0 "[ . 1 . 2]" 1
732 1 30 THR HA 1 31 GLU H . . 3.190 2.846 2.497 3.169 . 0 0 "[ . 1 . 2]" 1
733 1 30 THR HA 1 31 GLU QG . . 4.640 3.279 3.117 3.504 . 0 0 "[ . 1 . 2]" 1
734 1 30 THR HA 1 32 LYS QE . . 5.500 5.431 4.891 5.574 0.074 6 0 "[ . 1 . 2]" 1
735 1 30 THR HB 1 31 GLU H . . 4.780 4.573 4.389 4.656 . 0 0 "[ . 1 . 2]" 1
736 1 30 THR HB 1 31 GLU QG . . 5.390 5.415 5.240 5.475 0.085 7 0 "[ . 1 . 2]" 1
737 1 30 THR HB 1 32 LYS QB . . 5.500 5.107 4.531 5.573 0.073 6 0 "[ . 1 . 2]" 1
738 1 30 THR HB 1 32 LYS QE . . 5.360 4.485 3.926 5.108 . 0 0 "[ . 1 . 2]" 1
739 1 30 THR MG 1 31 GLU H . . 3.790 3.820 3.482 3.886 0.096 8 0 "[ . 1 . 2]" 1
740 1 30 THR MG 1 32 LYS H . . 3.530 3.091 2.727 3.570 0.040 8 0 "[ . 1 . 2]" 1
741 1 30 THR MG 1 32 LYS HA . . 3.600 3.593 3.361 3.705 0.105 16 0 "[ . 1 . 2]" 1
742 1 30 THR MG 1 32 LYS QB . . 3.320 2.585 2.065 3.255 . 0 0 "[ . 1 . 2]" 1
743 1 30 THR MG 1 32 LYS QD . . 4.710 2.880 1.996 4.316 . 0 0 "[ . 1 . 2]" 1
744 1 30 THR MG 1 32 LYS QE . . 3.630 2.196 1.858 3.241 . 0 0 "[ . 1 . 2]" 1
745 1 31 GLU H 1 31 GLU QG . . 3.310 2.631 2.482 2.839 . 0 0 "[ . 1 . 2]" 1
746 1 31 GLU H 1 32 LYS H . . 5.140 2.722 2.573 2.863 . 0 0 "[ . 1 . 2]" 1
747 1 31 GLU H 1 32 LYS QB . . 4.950 4.422 4.047 4.871 . 0 0 "[ . 1 . 2]" 1
748 1 31 GLU HA 1 31 GLU QG . . 3.120 2.522 2.350 2.650 . 0 0 "[ . 1 . 2]" 1
749 1 31 GLU HA 1 32 LYS H . . 3.060 2.852 2.575 3.122 0.062 6 0 "[ . 1 . 2]" 1
750 1 31 GLU QB 1 32 LYS H . . 3.910 3.847 3.493 3.966 0.056 13 0 "[ . 1 . 2]" 1
751 1 31 GLU QG 1 32 LYS H . . 4.600 4.397 4.249 4.525 . 0 0 "[ . 1 . 2]" 1
752 1 32 LYS H 1 32 LYS QB . . 2.860 2.236 2.000 2.579 . 0 0 "[ . 1 . 2]" 1
753 1 32 LYS H 1 32 LYS QD . . 4.540 3.822 1.907 4.607 0.067 16 0 "[ . 1 . 2]" 1
754 1 32 LYS H 1 32 LYS QE . . 4.410 3.632 2.769 4.317 . 0 0 "[ . 1 . 2]" 1
755 1 32 LYS H 1 32 LYS HG2 . . 4.710 3.970 2.393 4.721 0.011 5 0 "[ . 1 . 2]" 1
756 1 32 LYS H 1 32 LYS QG . . 4.060 3.428 2.362 4.083 0.023 8 0 "[ . 1 . 2]" 1
757 1 32 LYS H 1 32 LYS HG3 . . 4.710 3.998 2.509 4.530 . 0 0 "[ . 1 . 2]" 1
758 1 32 LYS HA 1 32 LYS QD . . 4.210 3.799 2.741 4.295 0.085 19 0 "[ . 1 . 2]" 1
759 1 32 LYS HA 1 32 LYS QE . . 4.460 3.746 1.984 4.543 0.083 11 0 "[ . 1 . 2]" 1
760 1 32 LYS HA 1 32 LYS HG2 . . 4.110 3.399 2.319 3.816 . 0 0 "[ . 1 . 2]" 1
761 1 32 LYS HA 1 32 LYS QG . . 3.540 2.636 2.116 3.472 . 0 0 "[ . 1 . 2]" 1
762 1 32 LYS HA 1 32 LYS HG3 . . 4.110 2.889 2.210 4.174 0.064 7 0 "[ . 1 . 2]" 1
763 1 32 LYS QB 1 32 LYS QE . . 4.200 2.304 1.993 3.535 . 0 0 "[ . 1 . 2]" 1
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