NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606161 |
5jxv   |
30088 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5jxv
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 706
_Distance_constraint_stats_list.Viol_count 942
_Distance_constraint_stats_list.Viol_total 1662.146
_Distance_constraint_stats_list.Viol_max 0.978
_Distance_constraint_stats_list.Viol_rms 0.0450
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0882
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.079 0.041 9 0 "[ . 1 . 2]"
1 2 GLN 9.754 0.748 2 7 "[ + .- * 1 * * * *]"
1 3 TYR 4.963 0.675 2 3 "[ + .- 1 * . 2]"
1 4 LYS 6.285 0.748 2 7 "[ + .- * 1 * * * *]"
1 5 LEU 0.488 0.280 8 0 "[ . 1 . 2]"
1 6 ILE 0.547 0.090 20 0 "[ . 1 . 2]"
1 7 LEU 3.878 0.635 7 1 "[ . + 1 . 2]"
1 8 ASN 2.161 0.433 18 0 "[ . 1 . 2]"
1 9 GLY 0.635 0.097 9 0 "[ . 1 . 2]"
1 10 LYS 3.118 0.344 15 0 "[ . 1 . 2]"
1 11 THR 1.991 0.487 11 0 "[ . 1 . 2]"
1 12 LEU 4.836 0.487 11 0 "[ . 1 . 2]"
1 13 LYS 4.932 0.804 5 1 "[ + 1 . 2]"
1 14 GLY 2.878 0.804 5 1 "[ + 1 . 2]"
1 15 GLU 2.544 0.635 7 1 "[ . + 1 . 2]"
1 16 THR 0.812 0.135 20 0 "[ . 1 . 2]"
1 17 THR 0.548 0.126 6 0 "[ . 1 . 2]"
1 18 THR 3.783 0.978 11 3 "[ . -1+ . *2]"
1 19 GLU 0.044 0.014 12 0 "[ . 1 . 2]"
1 20 ALA 5.539 0.560 11 7 "[** *. 1+ .- **2]"
1 21 VAL 3.802 0.560 11 7 "[** *. 1+ .- **2]"
1 22 ASP 0.698 0.086 14 0 "[ . 1 . 2]"
1 23 ALA 0.229 0.089 14 0 "[ . 1 . 2]"
1 24 ALA 0.317 0.082 14 0 "[ . 1 . 2]"
1 25 THR 2.920 0.688 4 2 "[ +. 1 -. 2]"
1 26 ALA 0.304 0.113 17 0 "[ . 1 . 2]"
1 27 GLU 5.295 0.887 14 3 "[ . - * +. 2]"
1 28 LYS 12.647 0.852 3 8 "[**+*.** *1 -. 2]"
1 29 VAL 2.493 0.469 14 0 "[ . 1 . 2]"
1 30 PHE 9.523 0.978 11 6 "[ . - **+ *. *2]"
1 31 LYS 7.611 0.506 9 3 "[ -. +1 . * 2]"
1 32 GLN 14.817 0.852 3 9 "[**+-.** *1 *. * 2]"
1 33 TYR 0.641 0.416 2 0 "[ . 1 . 2]"
1 34 ALA 2.329 0.328 7 0 "[ . 1 . 2]"
1 35 ASN 2.786 0.802 7 1 "[ . + 1 . 2]"
1 36 ASP 2.898 0.802 7 2 "[ - . + 1 . 2]"
1 37 ASN 1.414 0.511 2 1 "[ + . 1 . 2]"
1 38 GLY 0.029 0.012 15 0 "[ . 1 . 2]"
1 39 VAL 1.443 0.171 14 0 "[ . 1 . 2]"
1 40 ASP 1.760 0.437 15 0 "[ . 1 . 2]"
1 41 GLY 0.350 0.084 18 0 "[ . 1 . 2]"
1 42 GLU 3.662 0.152 14 0 "[ . 1 . 2]"
1 43 TRP 8.573 0.433 5 0 "[ . 1 . 2]"
1 44 THR 0.269 0.043 14 0 "[ . 1 . 2]"
1 45 TYR 0.077 0.046 14 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 0.336 0.336 4 0 "[ . 1 . 2]"
1 48 ALA 0.872 0.336 4 0 "[ . 1 . 2]"
1 49 THR 1.409 0.552 19 1 "[ . 1 . +2]"
1 50 LYS 0.534 0.044 20 0 "[ . 1 . 2]"
1 51 THR 1.587 0.552 19 1 "[ . 1 . +2]"
1 52 PHE 0.719 0.084 3 0 "[ . 1 . 2]"
1 53 THR 1.821 0.108 14 0 "[ . 1 . 2]"
1 54 VAL 1.019 0.341 17 0 "[ . 1 . 2]"
1 55 THR 4.065 0.183 20 0 "[ . 1 . 2]"
1 56 GLU 5.957 0.437 15 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 ME . . 5.490 4.215 2.008 5.067 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 1 MET ME . . 3.350 2.741 1.923 3.326 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET QB 1 2 GLN H . . 4.320 3.100 1.991 4.032 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 20 ALA H . . 5.360 4.683 3.323 5.401 0.041 9 0 "[ . 1 . 2]" 1
5 1 1 MET ME 1 20 ALA H . . 5.500 4.763 3.703 5.486 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QG 1 2 GLN H . . 5.200 3.041 1.965 4.387 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET QG 1 2 GLN HA . . 5.500 4.098 3.380 5.334 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET QG 1 20 ALA H . . 5.500 4.348 2.791 5.538 0.038 9 0 "[ . 1 . 2]" 1
9 1 2 GLN H 1 2 GLN HB3 . . 3.680 2.885 2.584 3.033 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLN H 1 2 GLN HG3 . . 3.930 2.104 1.935 2.453 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLN H 1 3 TYR H . . 4.720 4.530 4.471 4.592 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLN HA 1 3 TYR H . . 3.380 2.241 2.179 2.270 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLN HA 1 3 TYR HA . . 4.470 4.391 4.379 4.420 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLN HA 1 19 GLU HA . . 3.540 2.581 1.912 3.358 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLN HA 1 20 ALA H . . 3.890 2.816 2.495 3.380 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLN HB2 1 3 TYR H . . 4.030 2.882 2.781 3.117 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLN HB2 1 3 TYR HA . . 5.430 4.658 4.510 4.845 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLN HB2 1 18 THR H . . 4.470 3.886 3.536 4.361 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLN HB2 1 19 GLU H . . 5.500 4.522 3.961 5.101 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLN HB2 1 19 GLU HA . . 4.180 2.681 2.287 3.047 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLN HB2 1 20 ALA H . . 4.460 4.314 3.629 4.521 0.061 9 0 "[ . 1 . 2]" 1
22 1 2 GLN HB3 1 3 TYR H . . 4.280 4.014 3.925 4.145 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLN HB3 1 19 GLU H . . 5.340 4.878 4.199 5.314 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLN HB3 1 19 GLU HA . . 4.780 2.474 1.999 3.043 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLN HB3 1 20 ALA H . . 4.190 3.769 2.781 4.258 0.068 9 0 "[ . 1 . 2]" 1
26 1 2 GLN HE22 1 3 TYR H . . 4.420 4.587 4.268 5.095 0.675 2 3 "[ + .- 1 * . 2]" 1
27 1 2 GLN HE22 1 3 TYR HA . . 4.710 4.245 3.780 4.807 0.097 15 0 "[ . 1 . 2]" 1
28 1 2 GLN HE22 1 4 LYS H . . 4.410 4.640 4.120 5.158 0.748 2 7 "[ + .- * 1 * * * *]" 1
29 1 2 GLN HE22 1 18 THR H . . 4.820 4.415 3.967 4.818 . 0 0 "[ . 1 . 2]" 1
30 1 2 GLN HG2 1 19 GLU HA . . 4.930 4.571 4.053 4.918 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLN HG3 1 3 TYR H . . 5.500 4.525 4.146 4.795 . 0 0 "[ . 1 . 2]" 1
32 1 2 GLN HG3 1 3 TYR HA . . 5.500 4.767 4.179 5.261 . 0 0 "[ . 1 . 2]" 1
33 1 3 TYR H 1 4 LYS H . . 5.500 4.507 4.463 4.529 . 0 0 "[ . 1 . 2]" 1
34 1 3 TYR H 1 18 THR H . . 4.430 3.628 2.965 4.247 . 0 0 "[ . 1 . 2]" 1
35 1 3 TYR H 1 18 THR MG . . 4.600 3.467 2.566 4.651 0.051 19 0 "[ . 1 . 2]" 1
36 1 3 TYR H 1 19 GLU HA . . 4.240 3.733 3.325 4.247 0.007 20 0 "[ . 1 . 2]" 1
37 1 3 TYR H 1 20 ALA H . . 4.370 4.282 3.913 4.471 0.101 20 0 "[ . 1 . 2]" 1
38 1 3 TYR H 1 20 ALA MB . . 4.720 4.713 4.502 4.802 0.082 16 0 "[ . 1 . 2]" 1
39 1 3 TYR HA 1 4 LYS H . . 3.410 2.356 2.220 2.393 . 0 0 "[ . 1 . 2]" 1
40 1 3 TYR HA 1 4 LYS QB . . 5.440 4.006 3.942 4.107 . 0 0 "[ . 1 . 2]" 1
41 1 3 TYR QB 1 4 LYS H . . 4.200 2.545 2.442 2.976 . 0 0 "[ . 1 . 2]" 1
42 1 3 TYR QB 1 18 THR MG . . 5.230 4.006 2.582 5.068 . 0 0 "[ . 1 . 2]" 1
43 1 3 TYR QB 1 52 PHE H . . 4.360 4.039 3.762 4.332 . 0 0 "[ . 1 . 2]" 1
44 1 4 LYS H 1 4 LYS QB . . 3.850 2.543 2.391 2.877 . 0 0 "[ . 1 . 2]" 1
45 1 4 LYS H 1 4 LYS QG . . 4.270 3.596 2.280 4.151 . 0 0 "[ . 1 . 2]" 1
46 1 4 LYS H 1 6 ILE MD . . 5.500 4.784 4.284 5.133 . 0 0 "[ . 1 . 2]" 1
47 1 4 LYS H 1 51 THR HA . . 4.050 3.613 3.140 4.081 0.031 19 0 "[ . 1 . 2]" 1
48 1 4 LYS H 1 52 PHE H . . 4.490 4.448 4.099 4.574 0.084 3 0 "[ . 1 . 2]" 1
49 1 4 LYS HA 1 4 LYS HD3 . . 5.500 4.631 3.961 4.988 . 0 0 "[ . 1 . 2]" 1
50 1 4 LYS HA 1 5 LEU H . . 3.270 2.180 2.152 2.195 . 0 0 "[ . 1 . 2]" 1
51 1 4 LYS HA 1 16 THR H . . 5.400 5.109 4.604 5.514 0.114 20 0 "[ . 1 . 2]" 1
52 1 4 LYS HA 1 17 THR HA . . 3.640 2.412 1.963 3.239 . 0 0 "[ . 1 . 2]" 1
53 1 4 LYS HA 1 17 THR HB . . 4.410 3.630 2.812 4.536 0.126 6 0 "[ . 1 . 2]" 1
54 1 4 LYS HA 1 17 THR MG . . 4.530 2.666 1.948 4.530 0.000 7 0 "[ . 1 . 2]" 1
55 1 4 LYS HA 1 18 THR H . . 4.490 3.632 3.245 4.535 0.045 16 0 "[ . 1 . 2]" 1
56 1 4 LYS QB 1 5 LEU H . . 4.460 3.523 3.043 3.914 . 0 0 "[ . 1 . 2]" 1
57 1 4 LYS QB 1 15 GLU QG . . 5.020 4.201 2.912 4.702 . 0 0 "[ . 1 . 2]" 1
58 1 4 LYS QB 1 17 THR MG . . 4.650 2.612 1.815 4.516 . 0 0 "[ . 1 . 2]" 1
59 1 4 LYS HD2 1 6 ILE MD . . 5.070 4.013 2.094 5.026 . 0 0 "[ . 1 . 2]" 1
60 1 4 LYS QG 1 5 LEU H . . 5.330 2.852 2.294 3.842 . 0 0 "[ . 1 . 2]" 1
61 1 4 LYS QG 1 5 LEU HA . . 5.500 4.024 3.702 4.432 . 0 0 "[ . 1 . 2]" 1
62 1 4 LYS QG 1 16 THR H . . 4.750 4.112 3.337 4.814 0.064 6 0 "[ . 1 . 2]" 1
63 1 4 LYS QG 1 17 THR MG . . 4.560 2.695 1.823 4.223 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU H 1 5 LEU HB3 . . 3.670 2.886 2.666 3.090 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU H 1 5 LEU QD . . 4.500 3.621 3.362 3.824 . 0 0 "[ . 1 . 2]" 1
66 1 5 LEU H 1 5 LEU HG . . 5.500 4.605 4.245 4.796 . 0 0 "[ . 1 . 2]" 1
67 1 5 LEU H 1 6 ILE H . . 4.810 4.473 4.385 4.505 . 0 0 "[ . 1 . 2]" 1
68 1 5 LEU H 1 15 GLU QG . . 5.500 3.990 3.292 4.590 . 0 0 "[ . 1 . 2]" 1
69 1 5 LEU H 1 16 THR H . . 3.930 3.414 3.091 3.684 . 0 0 "[ . 1 . 2]" 1
70 1 5 LEU H 1 17 THR H . . 5.500 4.731 4.286 5.072 . 0 0 "[ . 1 . 2]" 1
71 1 5 LEU H 1 17 THR HA . . 5.500 3.007 2.704 3.320 . 0 0 "[ . 1 . 2]" 1
72 1 5 LEU HA 1 6 ILE H . . 3.570 2.165 2.143 2.173 . 0 0 "[ . 1 . 2]" 1
73 1 5 LEU HA 1 6 ILE HB . . 5.500 4.605 4.552 4.677 . 0 0 "[ . 1 . 2]" 1
74 1 5 LEU HA 1 6 ILE MD . . 5.500 3.352 3.057 3.691 . 0 0 "[ . 1 . 2]" 1
75 1 5 LEU HA 1 6 ILE HG13 . . 5.270 4.224 3.941 4.600 . 0 0 "[ . 1 . 2]" 1
76 1 5 LEU HA 1 52 PHE H . . 4.400 3.567 3.038 4.147 . 0 0 "[ . 1 . 2]" 1
77 1 5 LEU HA 1 52 PHE HB2 . . 4.640 3.828 2.922 4.647 0.007 9 0 "[ . 1 . 2]" 1
78 1 5 LEU HB3 1 6 ILE H . . 4.020 3.812 3.601 4.026 0.006 9 0 "[ . 1 . 2]" 1
79 1 5 LEU HB3 1 7 LEU QD . . 5.060 3.293 2.614 4.503 . 0 0 "[ . 1 . 2]" 1
80 1 5 LEU HB3 1 15 GLU HA . . 4.650 4.552 3.557 4.695 0.045 6 0 "[ . 1 . 2]" 1
81 1 5 LEU HB3 1 15 GLU QG . . 5.050 4.664 3.435 5.330 0.280 8 0 "[ . 1 . 2]" 1
82 1 5 LEU HB3 1 16 THR H . . 4.000 3.209 2.066 3.692 . 0 0 "[ . 1 . 2]" 1
83 1 5 LEU HB3 1 16 THR HB . . 4.420 3.699 3.228 4.261 . 0 0 "[ . 1 . 2]" 1
84 1 5 LEU QD 1 6 ILE H . . 4.670 2.493 1.938 3.468 . 0 0 "[ . 1 . 2]" 1
85 1 5 LEU QD 1 16 THR HB . . 5.130 4.484 3.707 4.871 . 0 0 "[ . 1 . 2]" 1
86 1 5 LEU QD 1 30 PHE H . . 5.500 4.682 4.046 5.500 0.000 16 0 "[ . 1 . 2]" 1
87 1 5 LEU QD 1 30 PHE HA . . 5.400 3.812 2.766 4.879 . 0 0 "[ . 1 . 2]" 1
88 1 5 LEU QD 1 30 PHE HB2 . . 5.150 3.000 1.761 4.344 . 0 0 "[ . 1 . 2]" 1
89 1 5 LEU QD 1 43 TRP HE3 . . 5.500 3.733 3.292 4.631 . 0 0 "[ . 1 . 2]" 1
90 1 5 LEU QD 1 43 TRP HH2 . . 5.340 2.587 1.942 3.557 . 0 0 "[ . 1 . 2]" 1
91 1 5 LEU QD 1 43 TRP HZ3 . . 5.450 2.117 1.797 2.951 . 0 0 "[ . 1 . 2]" 1
92 1 5 LEU QD 1 52 PHE H . . 4.990 3.570 2.744 4.585 . 0 0 "[ . 1 . 2]" 1
93 1 5 LEU QD 1 52 PHE HB2 . . 5.470 2.363 1.902 3.224 . 0 0 "[ . 1 . 2]" 1
94 1 5 LEU QD 1 52 PHE HB3 . . 5.440 3.020 2.041 4.224 . 0 0 "[ . 1 . 2]" 1
95 1 5 LEU QD 1 53 THR HA . . 5.500 2.787 1.982 3.746 . 0 0 "[ . 1 . 2]" 1
96 1 5 LEU HG 1 6 ILE H . . 5.100 3.943 2.691 4.837 . 0 0 "[ . 1 . 2]" 1
97 1 5 LEU HG 1 43 TRP HH2 . . 5.150 4.114 2.975 5.206 0.056 20 0 "[ . 1 . 2]" 1
98 1 6 ILE H 1 6 ILE HB . . 4.000 2.577 2.546 2.662 . 0 0 "[ . 1 . 2]" 1
99 1 6 ILE H 1 6 ILE MD . . 4.250 2.533 2.214 2.948 . 0 0 "[ . 1 . 2]" 1
100 1 6 ILE H 1 6 ILE HG12 . . 4.530 4.259 4.122 4.432 . 0 0 "[ . 1 . 2]" 1
101 1 6 ILE H 1 6 ILE HG13 . . 4.320 3.189 2.954 3.551 . 0 0 "[ . 1 . 2]" 1
102 1 6 ILE H 1 7 LEU H . . 5.080 4.351 4.152 4.448 . 0 0 "[ . 1 . 2]" 1
103 1 6 ILE H 1 53 THR HA . . 3.860 2.642 2.360 3.019 . 0 0 "[ . 1 . 2]" 1
104 1 6 ILE H 1 53 THR MG . . 5.500 3.761 2.512 5.073 . 0 0 "[ . 1 . 2]" 1
105 1 6 ILE H 1 54 VAL H . . 5.470 4.262 3.764 4.689 . 0 0 "[ . 1 . 2]" 1
106 1 6 ILE HA 1 7 LEU H . . 3.380 2.146 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
107 1 6 ILE HA 1 15 GLU HA . . 3.700 3.142 2.619 3.574 . 0 0 "[ . 1 . 2]" 1
108 1 6 ILE HA 1 15 GLU QG . . 4.990 2.885 1.961 4.349 . 0 0 "[ . 1 . 2]" 1
109 1 6 ILE HA 1 16 THR H . . 5.350 4.029 3.663 4.541 . 0 0 "[ . 1 . 2]" 1
110 1 6 ILE HA 1 53 THR HA . . 5.040 4.840 4.638 5.045 0.005 14 0 "[ . 1 . 2]" 1
111 1 6 ILE HB 1 7 LEU H . . 4.710 4.249 4.113 4.357 . 0 0 "[ . 1 . 2]" 1
112 1 6 ILE HB 1 53 THR H . . 5.500 5.425 5.028 5.575 0.075 3 0 "[ . 1 . 2]" 1
113 1 6 ILE HB 1 53 THR HA . . 4.200 3.101 2.667 3.344 . 0 0 "[ . 1 . 2]" 1
114 1 6 ILE HB 1 53 THR HB . . 4.930 3.520 2.064 4.699 . 0 0 "[ . 1 . 2]" 1
115 1 6 ILE HB 1 53 THR MG . . 4.540 2.576 1.875 4.264 . 0 0 "[ . 1 . 2]" 1
116 1 6 ILE HB 1 54 VAL H . . 4.520 4.161 3.673 4.464 . 0 0 "[ . 1 . 2]" 1
117 1 6 ILE MD 1 52 PHE H . . 4.740 3.920 3.450 4.385 . 0 0 "[ . 1 . 2]" 1
118 1 6 ILE MD 1 53 THR HA . . 5.500 3.632 3.215 4.042 . 0 0 "[ . 1 . 2]" 1
119 1 6 ILE MD 1 54 VAL H . . 5.500 5.239 4.752 5.481 . 0 0 "[ . 1 . 2]" 1
120 1 6 ILE HG13 1 15 GLU HA . . 5.500 4.782 4.103 5.327 . 0 0 "[ . 1 . 2]" 1
121 1 6 ILE HG13 1 15 GLU QG . . 4.970 3.173 2.219 4.705 . 0 0 "[ . 1 . 2]" 1
122 1 6 ILE HG13 1 16 THR H . . 5.410 5.046 4.186 5.500 0.090 20 0 "[ . 1 . 2]" 1
123 1 6 ILE MG 1 7 LEU H . . 3.700 2.705 2.206 2.994 . 0 0 "[ . 1 . 2]" 1
124 1 6 ILE MG 1 8 ASN H . . 4.660 4.074 3.723 4.573 . 0 0 "[ . 1 . 2]" 1
125 1 6 ILE MG 1 14 GLY H . . 5.300 4.868 4.357 5.304 0.004 20 0 "[ . 1 . 2]" 1
126 1 6 ILE MG 1 15 GLU HA . . 5.450 4.459 3.912 5.070 . 0 0 "[ . 1 . 2]" 1
127 1 6 ILE MG 1 53 THR HA . . 5.500 4.262 3.930 4.472 . 0 0 "[ . 1 . 2]" 1
128 1 6 ILE MG 1 53 THR MG . . 5.500 3.110 1.948 4.592 . 0 0 "[ . 1 . 2]" 1
129 1 6 ILE MG 1 54 VAL H . . 4.400 4.284 4.060 4.453 0.053 11 0 "[ . 1 . 2]" 1
130 1 7 LEU H 1 7 LEU HB2 . . 4.010 2.554 2.245 2.743 . 0 0 "[ . 1 . 2]" 1
131 1 7 LEU H 1 7 LEU HG . . 4.150 2.939 2.202 4.145 . 0 0 "[ . 1 . 2]" 1
132 1 7 LEU H 1 15 GLU HA . . 4.010 3.028 2.329 3.289 . 0 0 "[ . 1 . 2]" 1
133 1 7 LEU H 1 15 GLU QB . . 4.840 4.155 2.978 4.659 . 0 0 "[ . 1 . 2]" 1
134 1 7 LEU H 1 15 GLU QG . . 4.790 3.981 2.838 4.887 0.097 8 0 "[ . 1 . 2]" 1
135 1 7 LEU HA 1 8 ASN H . . 3.270 2.146 2.139 2.182 . 0 0 "[ . 1 . 2]" 1
136 1 7 LEU HA 1 8 ASN HA . . 5.070 4.395 4.391 4.402 . 0 0 "[ . 1 . 2]" 1
137 1 7 LEU HA 1 54 VAL QG . . 4.300 2.355 1.941 3.355 . 0 0 "[ . 1 . 2]" 1
138 1 7 LEU HB2 1 8 ASN H . . 4.380 4.217 3.972 4.483 0.103 11 0 "[ . 1 . 2]" 1
139 1 7 LEU HB2 1 14 GLY H . . 4.520 2.487 2.035 3.227 . 0 0 "[ . 1 . 2]" 1
140 1 7 LEU HB3 1 8 ASN H . . 4.130 3.458 3.105 3.649 . 0 0 "[ . 1 . 2]" 1
141 1 7 LEU HB3 1 9 GLY H . . 4.380 3.770 3.370 4.163 . 0 0 "[ . 1 . 2]" 1
142 1 7 LEU HB3 1 13 LYS HA . . 4.910 4.023 3.228 5.354 0.444 8 0 "[ . 1 . 2]" 1
143 1 7 LEU HB3 1 14 GLY H . . 4.180 3.752 2.972 4.540 0.360 8 0 "[ . 1 . 2]" 1
144 1 7 LEU HB3 1 15 GLU HA . . 5.500 5.524 4.705 6.135 0.635 7 1 "[ . + 1 . 2]" 1
145 1 7 LEU QD 1 8 ASN H . . 4.240 3.691 2.861 4.079 . 0 0 "[ . 1 . 2]" 1
146 1 7 LEU QD 1 9 GLY H . . 5.500 4.594 3.947 4.949 . 0 0 "[ . 1 . 2]" 1
147 1 7 LEU QD 1 14 GLY H . . 4.550 3.519 2.736 4.213 . 0 0 "[ . 1 . 2]" 1
148 1 7 LEU QD 1 15 GLU H . . 5.090 3.701 3.019 4.913 . 0 0 "[ . 1 . 2]" 1
149 1 7 LEU QD 1 15 GLU HA . . 5.500 2.976 1.969 4.130 . 0 0 "[ . 1 . 2]" 1
150 1 7 LEU QD 1 16 THR H . . 5.500 3.593 2.432 4.720 . 0 0 "[ . 1 . 2]" 1
151 1 7 LEU QD 1 54 VAL H . . 4.750 3.855 3.426 4.496 . 0 0 "[ . 1 . 2]" 1
152 1 7 LEU QD 1 54 VAL HB . . 5.500 4.020 2.972 4.716 . 0 0 "[ . 1 . 2]" 1
153 1 7 LEU HG 1 15 GLU HA . . 4.810 3.689 2.556 4.844 0.034 15 0 "[ . 1 . 2]" 1
154 1 7 LEU HG 1 16 THR H . . 5.500 4.562 3.354 5.579 0.079 20 0 "[ . 1 . 2]" 1
155 1 8 ASN H 1 8 ASN HD21 . . 5.500 4.603 4.548 4.647 . 0 0 "[ . 1 . 2]" 1
156 1 8 ASN H 1 9 GLY H . . 4.730 3.456 3.316 3.629 . 0 0 "[ . 1 . 2]" 1
157 1 8 ASN H 1 54 VAL H . . 4.580 3.529 3.104 3.922 . 0 0 "[ . 1 . 2]" 1
158 1 8 ASN H 1 54 VAL QG . . 4.140 3.071 2.651 4.030 . 0 0 "[ . 1 . 2]" 1
159 1 8 ASN H 1 55 THR HA . . 4.210 3.057 2.459 3.402 . 0 0 "[ . 1 . 2]" 1
160 1 8 ASN H 1 55 THR MG . . 4.680 4.343 3.547 4.771 0.091 17 0 "[ . 1 . 2]" 1
161 1 8 ASN H 1 56 GLU H . . 4.670 4.385 3.688 4.692 0.022 13 0 "[ . 1 . 2]" 1
162 1 8 ASN HA 1 9 GLY HA2 . . 5.500 4.549 4.493 4.590 . 0 0 "[ . 1 . 2]" 1
163 1 8 ASN HA 1 13 LYS HA . . 4.390 4.007 3.505 4.473 0.083 18 0 "[ . 1 . 2]" 1
164 1 8 ASN HA 1 13 LYS HD2 . . 4.480 2.360 2.001 2.771 . 0 0 "[ . 1 . 2]" 1
165 1 8 ASN HA 1 13 LYS HE2 . . 5.450 3.027 1.981 3.726 . 0 0 "[ . 1 . 2]" 1
166 1 8 ASN HA 1 13 LYS HE3 . . 4.930 2.457 1.985 3.600 . 0 0 "[ . 1 . 2]" 1
167 1 8 ASN HA 1 13 LYS HG2 . . 5.070 4.675 4.446 4.866 . 0 0 "[ . 1 . 2]" 1
168 1 8 ASN HA 1 13 LYS HG3 . . 4.850 4.771 4.646 4.887 0.037 20 0 "[ . 1 . 2]" 1
169 1 8 ASN HA 1 55 THR HA . . 4.620 4.580 4.275 4.697 0.077 9 0 "[ . 1 . 2]" 1
170 1 8 ASN HA 1 55 THR MG . . 5.500 4.684 4.315 4.893 . 0 0 "[ . 1 . 2]" 1
171 1 8 ASN HB2 1 9 GLY H . . 4.720 4.667 4.664 4.673 . 0 0 "[ . 1 . 2]" 1
172 1 8 ASN HB2 1 13 LYS HE2 . . 5.500 4.835 3.516 5.406 . 0 0 "[ . 1 . 2]" 1
173 1 8 ASN HB2 1 13 LYS HE3 . . 5.150 4.240 3.507 5.173 0.023 2 0 "[ . 1 . 2]" 1
174 1 8 ASN HB2 1 55 THR HA . . 4.490 3.816 3.361 4.101 . 0 0 "[ . 1 . 2]" 1
175 1 8 ASN HB2 1 55 THR MG . . 5.110 3.773 2.715 4.414 . 0 0 "[ . 1 . 2]" 1
176 1 8 ASN HB3 1 9 GLY H . . 5.290 4.376 4.349 4.403 . 0 0 "[ . 1 . 2]" 1
177 1 8 ASN HB3 1 55 THR HA . . 4.000 2.429 1.972 2.767 . 0 0 "[ . 1 . 2]" 1
178 1 8 ASN HB3 1 55 THR MG . . 4.960 2.451 1.874 2.942 . 0 0 "[ . 1 . 2]" 1
179 1 8 ASN HD21 1 9 GLY H . . 4.740 4.031 3.586 4.232 . 0 0 "[ . 1 . 2]" 1
180 1 8 ASN HD21 1 10 LYS QD . . 5.430 4.809 3.081 5.545 0.115 18 0 "[ . 1 . 2]" 1
181 1 8 ASN HD21 1 10 LYS HE2 . . 5.100 3.600 2.825 5.030 . 0 0 "[ . 1 . 2]" 1
182 1 8 ASN HD21 1 10 LYS HE3 . . 4.990 4.125 3.619 5.148 0.158 18 0 "[ . 1 . 2]" 1
183 1 8 ASN HD21 1 13 LYS HD2 . . 5.000 4.677 3.552 5.433 0.433 18 0 "[ . 1 . 2]" 1
184 1 8 ASN HD21 1 13 LYS HE2 . . 4.690 4.508 3.721 4.702 0.012 12 0 "[ . 1 . 2]" 1
185 1 8 ASN HD21 1 13 LYS HE3 . . 4.310 3.321 2.932 4.373 0.063 18 0 "[ . 1 . 2]" 1
186 1 8 ASN HD21 1 55 THR MG . . 4.610 3.017 2.073 3.866 . 0 0 "[ . 1 . 2]" 1
187 1 8 ASN HD22 1 55 THR MG . . 4.420 3.918 3.245 4.458 0.038 6 0 "[ . 1 . 2]" 1
188 1 9 GLY H 1 12 LEU H . . 5.350 4.427 4.291 4.551 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLY H 1 12 LEU MD1 . . 5.100 4.510 3.162 5.106 0.006 10 0 "[ . 1 . 2]" 1
190 1 9 GLY H 1 13 LYS HA . . 4.440 2.856 2.552 3.123 . 0 0 "[ . 1 . 2]" 1
191 1 9 GLY H 1 13 LYS HD2 . . 4.470 2.616 2.160 2.948 . 0 0 "[ . 1 . 2]" 1
192 1 9 GLY H 1 13 LYS HD3 . . 4.370 2.272 1.951 3.335 . 0 0 "[ . 1 . 2]" 1
193 1 9 GLY H 1 13 LYS HE2 . . 5.130 4.459 3.652 5.098 . 0 0 "[ . 1 . 2]" 1
194 1 9 GLY H 1 13 LYS HG2 . . 4.280 3.829 3.645 4.102 . 0 0 "[ . 1 . 2]" 1
195 1 9 GLY H 1 13 LYS HG3 . . 5.130 4.810 4.609 5.136 0.006 15 0 "[ . 1 . 2]" 1
196 1 9 GLY H 1 55 THR HA . . 4.980 4.787 4.601 5.011 0.031 20 0 "[ . 1 . 2]" 1
197 1 9 GLY H 1 56 GLU QG . . 5.500 4.454 4.043 5.504 0.004 4 0 "[ . 1 . 2]" 1
198 1 9 GLY HA2 1 56 GLU H . . 4.340 2.500 2.353 2.710 . 0 0 "[ . 1 . 2]" 1
199 1 9 GLY HA2 1 56 GLU HB2 . . 4.890 2.734 1.963 4.537 . 0 0 "[ . 1 . 2]" 1
200 1 9 GLY HA2 1 56 GLU HB3 . . 4.540 4.028 3.466 4.404 . 0 0 "[ . 1 . 2]" 1
201 1 9 GLY HA2 1 56 GLU QG . . 4.990 2.632 1.891 3.730 . 0 0 "[ . 1 . 2]" 1
202 1 9 GLY HA3 1 11 THR H . . 5.180 3.681 3.323 3.830 . 0 0 "[ . 1 . 2]" 1
203 1 9 GLY HA3 1 12 LEU H . . 4.350 2.936 2.849 3.039 . 0 0 "[ . 1 . 2]" 1
204 1 9 GLY HA3 1 56 GLU H . . 4.190 4.193 4.081 4.287 0.097 9 0 "[ . 1 . 2]" 1
205 1 9 GLY HA3 1 56 GLU QG . . 4.680 3.516 2.322 4.606 . 0 0 "[ . 1 . 2]" 1
206 1 10 LYS H 1 10 LYS QB . . 3.830 2.562 2.439 2.610 . 0 0 "[ . 1 . 2]" 1
207 1 10 LYS H 1 10 LYS QD . . 4.160 3.744 2.978 4.162 0.002 15 0 "[ . 1 . 2]" 1
208 1 10 LYS H 1 10 LYS QG . . 3.920 2.082 1.948 2.426 . 0 0 "[ . 1 . 2]" 1
209 1 10 LYS H 1 11 THR H . . 4.700 2.427 2.357 2.524 . 0 0 "[ . 1 . 2]" 1
210 1 10 LYS H 1 11 THR MG . . 4.870 3.849 3.503 4.273 . 0 0 "[ . 1 . 2]" 1
211 1 10 LYS H 1 12 LEU MD1 . . 4.950 3.938 2.613 5.237 0.287 20 0 "[ . 1 . 2]" 1
212 1 10 LYS H 1 56 GLU HB2 . . 4.770 3.060 2.310 4.605 . 0 0 "[ . 1 . 2]" 1
213 1 10 LYS H 1 56 GLU HB3 . . 4.580 4.354 3.274 4.718 0.138 13 0 "[ . 1 . 2]" 1
214 1 10 LYS H 1 56 GLU QG . . 5.060 3.996 1.952 4.886 . 0 0 "[ . 1 . 2]" 1
215 1 10 LYS HA 1 10 LYS QD . . 4.670 2.495 2.044 4.197 . 0 0 "[ . 1 . 2]" 1
216 1 10 LYS HA 1 12 LEU H . . 4.350 4.286 4.169 4.381 0.031 6 0 "[ . 1 . 2]" 1
217 1 10 LYS QB 1 11 THR H . . 3.870 2.624 2.516 3.022 . 0 0 "[ . 1 . 2]" 1
218 1 10 LYS QB 1 11 THR HA . . 4.760 4.107 4.071 4.126 . 0 0 "[ . 1 . 2]" 1
219 1 10 LYS QB 1 11 THR MG . . 5.370 3.218 2.435 3.737 . 0 0 "[ . 1 . 2]" 1
220 1 10 LYS QB 1 12 LEU H . . 4.840 4.403 4.258 4.731 . 0 0 "[ . 1 . 2]" 1
221 1 10 LYS QD 1 56 GLU H . . 5.270 4.831 4.189 5.447 0.177 18 0 "[ . 1 . 2]" 1
222 1 10 LYS HE3 1 56 GLU H . . 4.860 3.285 2.613 4.157 . 0 0 "[ . 1 . 2]" 1
223 1 10 LYS QG 1 11 THR H . . 4.240 3.830 3.697 4.240 . 18 0 "[ . 1 . 2]" 1
224 1 10 LYS QG 1 11 THR MG . . 4.760 4.465 4.042 4.757 . 0 0 "[ . 1 . 2]" 1
225 1 10 LYS QG 1 56 GLU HB2 . . 4.430 3.198 2.508 3.958 . 0 0 "[ . 1 . 2]" 1
226 1 10 LYS QG 1 56 GLU HB3 . . 4.090 4.099 3.502 4.434 0.344 15 0 "[ . 1 . 2]" 1
227 1 10 LYS QG 1 56 GLU QG . . 5.500 4.311 1.974 4.941 . 0 0 "[ . 1 . 2]" 1
228 1 11 THR H 1 11 THR MG . . 4.000 2.124 1.916 2.683 . 0 0 "[ . 1 . 2]" 1
229 1 11 THR H 1 12 LEU H . . 3.900 2.115 2.002 2.289 . 0 0 "[ . 1 . 2]" 1
230 1 11 THR H 1 12 LEU HA . . 5.040 4.760 4.704 4.834 . 0 0 "[ . 1 . 2]" 1
231 1 11 THR H 1 12 LEU MD1 . . 4.650 3.236 2.278 5.137 0.487 11 0 "[ . 1 . 2]" 1
232 1 11 THR H 1 12 LEU MD2 . . 5.260 4.469 2.174 5.191 . 0 0 "[ . 1 . 2]" 1
233 1 11 THR HA 1 11 THR MG . . 3.750 3.003 2.396 3.208 . 0 0 "[ . 1 . 2]" 1
234 1 11 THR HA 1 12 LEU HA . . 4.500 4.454 4.407 4.521 0.021 18 0 "[ . 1 . 2]" 1
235 1 11 THR HB 1 12 LEU H . . 4.720 4.386 4.089 4.509 . 0 0 "[ . 1 . 2]" 1
236 1 11 THR MG 1 12 LEU H . . 4.400 3.203 2.252 4.100 . 0 0 "[ . 1 . 2]" 1
237 1 11 THR MG 1 12 LEU MD1 . . 4.940 2.951 1.820 4.576 . 0 0 "[ . 1 . 2]" 1
238 1 11 THR MG 1 12 LEU HG . . 4.500 3.109 1.946 4.510 0.010 14 0 "[ . 1 . 2]" 1
239 1 12 LEU H 1 12 LEU HB3 . . 4.140 3.724 3.299 3.927 . 0 0 "[ . 1 . 2]" 1
240 1 12 LEU H 1 12 LEU MD1 . . 4.520 2.747 1.925 4.378 . 0 0 "[ . 1 . 2]" 1
241 1 12 LEU H 1 12 LEU MD2 . . 4.930 3.963 2.357 4.424 . 0 0 "[ . 1 . 2]" 1
242 1 12 LEU H 1 12 LEU HG . . 4.480 3.018 2.595 3.308 . 0 0 "[ . 1 . 2]" 1
243 1 12 LEU H 1 13 LYS H . . 4.570 4.305 4.246 4.365 . 0 0 "[ . 1 . 2]" 1
244 1 12 LEU H 1 13 LYS HD3 . . 5.500 4.433 4.056 5.392 . 0 0 "[ . 1 . 2]" 1
245 1 12 LEU H 1 13 LYS HG2 . . 5.500 3.829 3.591 4.566 . 0 0 "[ . 1 . 2]" 1
246 1 12 LEU HA 1 12 LEU MD2 . . 4.320 3.705 3.378 4.093 . 0 0 "[ . 1 . 2]" 1
247 1 12 LEU HA 1 13 LYS H . . 3.450 2.215 2.194 2.231 . 0 0 "[ . 1 . 2]" 1
248 1 12 LEU HA 1 13 LYS HA . . 5.500 4.428 4.385 4.440 . 0 0 "[ . 1 . 2]" 1
249 1 12 LEU HA 1 13 LYS HG2 . . 5.500 3.852 3.557 4.031 . 0 0 "[ . 1 . 2]" 1
250 1 12 LEU HA 1 13 LYS HG3 . . 5.500 5.373 4.923 5.519 0.019 20 0 "[ . 1 . 2]" 1
251 1 12 LEU HB2 1 13 LYS H . . 3.840 3.369 2.938 3.802 . 0 0 "[ . 1 . 2]" 1
252 1 12 LEU HB2 1 13 LYS HA . . 5.050 4.364 4.072 4.569 . 0 0 "[ . 1 . 2]" 1
253 1 12 LEU HB3 1 13 LYS H . . 4.780 3.451 3.004 4.131 . 0 0 "[ . 1 . 2]" 1
254 1 12 LEU MD1 1 13 LYS H . . 5.400 4.508 3.381 5.043 . 0 0 "[ . 1 . 2]" 1
255 1 12 LEU MD2 1 13 LYS H . . 4.720 4.721 4.444 5.060 0.340 2 0 "[ . 1 . 2]" 1
256 1 13 LYS H 1 13 LYS HG2 . . 4.560 3.265 2.920 3.381 . 0 0 "[ . 1 . 2]" 1
257 1 13 LYS H 1 14 GLY H . . 4.860 4.409 4.389 4.521 . 0 0 "[ . 1 . 2]" 1
258 1 13 LYS HA 1 13 LYS HD2 . . 5.420 2.188 1.999 2.446 . 0 0 "[ . 1 . 2]" 1
259 1 13 LYS HA 1 13 LYS HD3 . . 4.690 2.994 2.565 3.869 . 0 0 "[ . 1 . 2]" 1
260 1 13 LYS HA 1 13 LYS HE2 . . 4.510 4.395 3.807 4.517 0.007 11 0 "[ . 1 . 2]" 1
261 1 13 LYS HA 1 13 LYS HE3 . . 4.910 4.646 4.307 4.847 . 0 0 "[ . 1 . 2]" 1
262 1 13 LYS HA 1 14 GLY HA3 . . 5.380 4.311 4.308 4.315 . 0 0 "[ . 1 . 2]" 1
263 1 13 LYS HB2 1 13 LYS HD3 . . 4.200 4.109 3.987 4.208 0.008 5 0 "[ . 1 . 2]" 1
264 1 13 LYS HB2 1 13 LYS HE3 . . 5.500 5.129 4.638 5.426 . 0 0 "[ . 1 . 2]" 1
265 1 13 LYS HB2 1 14 GLY H . . 4.420 3.939 3.819 4.039 . 0 0 "[ . 1 . 2]" 1
266 1 13 LYS HB3 1 14 GLY H . . 4.800 2.773 2.729 2.822 . 0 0 "[ . 1 . 2]" 1
267 1 13 LYS HD3 1 14 GLY H . . 4.660 4.682 4.292 5.464 0.804 5 1 "[ + 1 . 2]" 1
268 1 13 LYS HG2 1 14 GLY H . . 4.840 4.825 4.713 4.864 0.024 16 0 "[ . 1 . 2]" 1
269 1 13 LYS HG3 1 14 GLY H . . 5.440 5.002 4.910 5.206 . 0 0 "[ . 1 . 2]" 1
270 1 14 GLY H 1 15 GLU H . . 4.910 4.384 4.382 4.386 . 0 0 "[ . 1 . 2]" 1
271 1 15 GLU H 1 15 GLU QG . . 4.330 4.114 2.647 4.260 . 0 0 "[ . 1 . 2]" 1
272 1 15 GLU H 1 16 THR MG . . 4.750 4.650 4.137 4.885 0.135 20 0 "[ . 1 . 2]" 1
273 1 15 GLU HA 1 16 THR H . . 3.210 2.236 2.167 2.344 . 0 0 "[ . 1 . 2]" 1
274 1 15 GLU HA 1 16 THR MG . . 5.500 4.698 3.401 5.026 . 0 0 "[ . 1 . 2]" 1
275 1 15 GLU QB 1 16 THR H . . 4.070 3.423 2.777 3.692 . 0 0 "[ . 1 . 2]" 1
276 1 15 GLU QG 1 16 THR H . . 4.410 2.458 2.099 3.464 . 0 0 "[ . 1 . 2]" 1
277 1 15 GLU QG 1 17 THR MG . . 5.500 3.631 2.634 4.723 . 0 0 "[ . 1 . 2]" 1
278 1 16 THR H 1 16 THR MG . . 3.940 3.700 2.119 3.935 . 0 0 "[ . 1 . 2]" 1
279 1 16 THR H 1 17 THR H . . 4.420 4.409 4.330 4.456 0.036 17 0 "[ . 1 . 2]" 1
280 1 16 THR HA 1 17 THR H . . 3.120 2.320 2.155 2.400 . 0 0 "[ . 1 . 2]" 1
281 1 16 THR HA 1 17 THR HA . . 4.910 4.455 4.398 4.511 . 0 0 "[ . 1 . 2]" 1
282 1 16 THR HB 1 17 THR H . . 4.020 3.003 2.464 3.934 . 0 0 "[ . 1 . 2]" 1
283 1 16 THR MG 1 17 THR H . . 4.510 2.679 2.217 3.887 . 0 0 "[ . 1 . 2]" 1
284 1 17 THR H 1 17 THR MG . . 4.360 3.046 2.029 3.900 . 0 0 "[ . 1 . 2]" 1
285 1 17 THR H 1 18 THR H . . 4.650 4.403 4.334 4.481 . 0 0 "[ . 1 . 2]" 1
286 1 17 THR HA 1 18 THR H . . 3.370 2.265 2.237 2.358 . 0 0 "[ . 1 . 2]" 1
287 1 17 THR HA 1 18 THR HA . . 4.810 4.458 4.448 4.484 . 0 0 "[ . 1 . 2]" 1
288 1 17 THR HA 1 18 THR HB . . 4.560 4.426 4.287 4.606 0.046 14 0 "[ . 1 . 2]" 1
289 1 17 THR HB 1 18 THR H . . 4.120 2.931 2.679 3.864 . 0 0 "[ . 1 . 2]" 1
290 1 17 THR MG 1 18 THR H . . 4.340 3.659 2.603 4.003 . 0 0 "[ . 1 . 2]" 1
291 1 17 THR MG 1 18 THR MG . . 5.500 5.132 4.705 5.569 0.069 6 0 "[ . 1 . 2]" 1
292 1 18 THR H 1 18 THR MG . . 4.330 2.507 2.149 3.918 . 0 0 "[ . 1 . 2]" 1
293 1 18 THR HA 1 19 GLU H . . 3.420 2.237 2.217 2.257 . 0 0 "[ . 1 . 2]" 1
294 1 18 THR HA 1 19 GLU HA . . 4.380 4.378 4.370 4.394 0.014 12 0 "[ . 1 . 2]" 1
295 1 18 THR HB 1 19 GLU H . . 4.100 4.013 3.883 4.079 . 0 0 "[ . 1 . 2]" 1
296 1 18 THR HB 1 29 VAL MG1 . . 5.010 3.500 2.166 5.032 0.022 11 0 "[ . 1 . 2]" 1
297 1 18 THR HB 1 29 VAL MG2 . . 5.140 5.007 3.920 5.255 0.115 10 0 "[ . 1 . 2]" 1
298 1 18 THR MG 1 19 GLU H . . 4.350 3.490 2.034 3.916 . 0 0 "[ . 1 . 2]" 1
299 1 18 THR MG 1 20 ALA H . . 5.030 4.385 3.991 5.056 0.026 9 0 "[ . 1 . 2]" 1
300 1 18 THR MG 1 20 ALA MB . . 5.210 3.323 2.660 4.101 . 0 0 "[ . 1 . 2]" 1
301 1 18 THR MG 1 26 ALA HA . . 5.130 3.404 2.666 4.807 . 0 0 "[ . 1 . 2]" 1
302 1 18 THR MG 1 29 VAL H . . 5.500 4.974 4.184 5.565 0.065 9 0 "[ . 1 . 2]" 1
303 1 18 THR MG 1 29 VAL HB . . 4.690 3.019 2.146 3.696 . 0 0 "[ . 1 . 2]" 1
304 1 18 THR MG 1 29 VAL MG1 . . 5.500 2.778 1.780 3.651 . 0 0 "[ . 1 . 2]" 1
305 1 18 THR MG 1 29 VAL MG2 . . 5.340 3.485 2.449 4.270 . 0 0 "[ . 1 . 2]" 1
306 1 18 THR MG 1 30 PHE H . . 4.800 4.178 3.452 4.824 0.024 11 0 "[ . 1 . 2]" 1
307 1 18 THR MG 1 30 PHE HB3 . . 5.500 5.028 3.026 6.478 0.978 11 3 "[ . -1+ . *2]" 1
308 1 19 GLU HA 1 20 ALA H . . 3.200 2.148 2.140 2.184 . 0 0 "[ . 1 . 2]" 1
309 1 20 ALA H 1 26 ALA MB . . 5.500 3.907 3.239 4.594 . 0 0 "[ . 1 . 2]" 1
310 1 20 ALA HA 1 21 VAL H . . 3.140 2.299 2.240 2.394 . 0 0 "[ . 1 . 2]" 1
311 1 20 ALA HA 1 21 VAL HA . . 4.720 4.339 4.324 4.383 . 0 0 "[ . 1 . 2]" 1
312 1 20 ALA HA 1 21 VAL MG1 . . 4.930 4.397 3.497 5.490 0.560 11 7 "[** *. 1+ .- **2]" 1
313 1 20 ALA HA 1 21 VAL MG2 . . 5.500 4.331 3.393 5.477 . 0 0 "[ . 1 . 2]" 1
314 1 20 ALA HA 1 22 ASP H . . 3.920 3.943 3.909 4.006 0.086 14 0 "[ . 1 . 2]" 1
315 1 20 ALA MB 1 21 VAL H . . 4.300 2.706 2.577 2.865 . 0 0 "[ . 1 . 2]" 1
316 1 20 ALA MB 1 22 ASP H . . 3.870 2.499 2.174 2.863 . 0 0 "[ . 1 . 2]" 1
317 1 20 ALA MB 1 25 THR HB . . 5.050 2.953 2.137 3.759 . 0 0 "[ . 1 . 2]" 1
318 1 20 ALA MB 1 26 ALA H . . 4.020 3.003 2.733 3.445 . 0 0 "[ . 1 . 2]" 1
319 1 20 ALA MB 1 26 ALA HA . . 4.390 2.656 2.165 3.335 . 0 0 "[ . 1 . 2]" 1
320 1 20 ALA MB 1 26 ALA MB . . 4.860 1.923 1.756 2.367 . 0 0 "[ . 1 . 2]" 1
321 1 20 ALA MB 1 27 GLU H . . 4.930 4.746 4.506 5.002 0.072 14 0 "[ . 1 . 2]" 1
322 1 21 VAL H 1 21 VAL MG1 . . 4.370 2.749 1.948 3.801 . 0 0 "[ . 1 . 2]" 1
323 1 21 VAL H 1 21 VAL MG2 . . 4.630 2.714 1.954 3.851 . 0 0 "[ . 1 . 2]" 1
324 1 21 VAL H 1 22 ASP H . . 4.250 2.343 2.022 2.442 . 0 0 "[ . 1 . 2]" 1
325 1 21 VAL H 1 25 THR HB . . 4.900 4.382 4.028 4.627 . 0 0 "[ . 1 . 2]" 1
326 1 21 VAL HB 1 22 ASP H . . 4.240 3.732 2.909 4.173 . 0 0 "[ . 1 . 2]" 1
327 1 21 VAL MG1 1 22 ASP H . . 4.520 3.377 2.157 4.156 . 0 0 "[ . 1 . 2]" 1
328 1 21 VAL MG2 1 22 ASP H . . 4.590 3.437 2.226 3.989 . 0 0 "[ . 1 . 2]" 1
329 1 22 ASP H 1 23 ALA H . . 4.550 4.441 4.375 4.489 . 0 0 "[ . 1 . 2]" 1
330 1 22 ASP H 1 24 ALA H . . 5.500 5.401 4.912 5.582 0.082 14 0 "[ . 1 . 2]" 1
331 1 22 ASP H 1 25 THR H . . 4.680 4.355 4.023 4.528 . 0 0 "[ . 1 . 2]" 1
332 1 22 ASP H 1 25 THR HB . . 4.980 3.293 2.946 3.551 . 0 0 "[ . 1 . 2]" 1
333 1 22 ASP H 1 26 ALA MB . . 4.550 4.155 3.772 4.568 0.018 19 0 "[ . 1 . 2]" 1
334 1 22 ASP HA 1 23 ALA MB . . 5.270 4.020 3.950 4.048 . 0 0 "[ . 1 . 2]" 1
335 1 22 ASP HB2 1 23 ALA H . . 5.020 4.119 3.685 4.233 . 0 0 "[ . 1 . 2]" 1
336 1 22 ASP HB2 1 25 THR H . . 5.040 3.497 2.529 4.077 . 0 0 "[ . 1 . 2]" 1
337 1 22 ASP HB3 1 23 ALA H . . 4.010 3.045 2.698 3.540 . 0 0 "[ . 1 . 2]" 1
338 1 22 ASP HB3 1 24 ALA H . . 4.170 2.819 2.240 3.365 . 0 0 "[ . 1 . 2]" 1
339 1 22 ASP HB3 1 25 THR H . . 4.380 2.581 2.102 3.524 . 0 0 "[ . 1 . 2]" 1
340 1 23 ALA H 1 24 ALA H . . 4.610 2.531 2.492 2.600 . 0 0 "[ . 1 . 2]" 1
341 1 23 ALA HA 1 24 ALA HA . . 4.840 4.806 4.757 4.836 . 0 0 "[ . 1 . 2]" 1
342 1 23 ALA HA 1 25 THR H . . 4.660 4.314 4.154 4.506 . 0 0 "[ . 1 . 2]" 1
343 1 23 ALA HA 1 25 THR HB . . 5.500 5.443 5.238 5.589 0.089 14 0 "[ . 1 . 2]" 1
344 1 23 ALA HA 1 26 ALA H . . 3.880 3.360 3.177 3.675 . 0 0 "[ . 1 . 2]" 1
345 1 23 ALA HA 1 26 ALA MB . . 3.770 2.529 2.162 2.928 . 0 0 "[ . 1 . 2]" 1
346 1 23 ALA HA 1 27 GLU H . . 4.370 3.894 3.566 4.262 . 0 0 "[ . 1 . 2]" 1
347 1 23 ALA MB 1 26 ALA H . . 5.500 4.556 4.442 4.777 . 0 0 "[ . 1 . 2]" 1
348 1 23 ALA MB 1 27 GLU H . . 4.620 4.417 4.138 4.641 0.021 14 0 "[ . 1 . 2]" 1
349 1 24 ALA H 1 24 ALA MB . . 3.340 2.112 2.025 2.241 . 0 0 "[ . 1 . 2]" 1
350 1 24 ALA H 1 25 THR H . . 4.190 2.667 2.562 2.709 . 0 0 "[ . 1 . 2]" 1
351 1 24 ALA H 1 26 ALA H . . 4.790 4.063 3.957 4.234 . 0 0 "[ . 1 . 2]" 1
352 1 24 ALA H 1 26 ALA MB . . 4.880 4.755 4.477 4.886 0.006 7 0 "[ . 1 . 2]" 1
353 1 24 ALA HA 1 27 GLU H . . 4.240 3.782 3.589 3.955 . 0 0 "[ . 1 . 2]" 1
354 1 24 ALA MB 1 25 THR H . . 3.640 2.663 2.538 2.786 . 0 0 "[ . 1 . 2]" 1
355 1 24 ALA MB 1 25 THR HA . . 4.770 3.796 3.692 3.863 . 0 0 "[ . 1 . 2]" 1
356 1 24 ALA MB 1 26 ALA H . . 5.500 4.520 4.433 4.652 . 0 0 "[ . 1 . 2]" 1
357 1 24 ALA MB 1 27 GLU H . . 4.910 4.831 4.702 4.959 0.049 14 0 "[ . 1 . 2]" 1
358 1 25 THR H 1 25 THR HB . . 3.570 2.569 2.479 2.911 . 0 0 "[ . 1 . 2]" 1
359 1 25 THR H 1 25 THR MG . . 4.520 3.768 3.688 3.782 . 0 0 "[ . 1 . 2]" 1
360 1 25 THR H 1 26 ALA H . . 4.190 2.497 2.439 2.678 . 0 0 "[ . 1 . 2]" 1
361 1 25 THR H 1 26 ALA MB . . 4.700 4.131 4.027 4.273 . 0 0 "[ . 1 . 2]" 1
362 1 25 THR HA 1 25 THR MG . . 3.750 2.301 2.071 2.389 . 0 0 "[ . 1 . 2]" 1
363 1 25 THR HA 1 28 LYS HB3 . . 4.410 4.242 3.628 5.098 0.688 4 1 "[ +. 1 . 2]" 1
364 1 25 THR HA 1 28 LYS HD2 . . 5.190 3.810 2.251 5.276 0.086 4 0 "[ . 1 . 2]" 1
365 1 25 THR HA 1 28 LYS HG3 . . 5.270 3.520 2.671 5.204 . 0 0 "[ . 1 . 2]" 1
366 1 25 THR HA 1 29 VAL H . . 5.500 4.402 4.073 4.880 . 0 0 "[ . 1 . 2]" 1
367 1 25 THR HB 1 26 ALA H . . 3.530 2.715 2.526 2.845 . 0 0 "[ . 1 . 2]" 1
368 1 25 THR HB 1 27 GLU H . . 5.500 5.139 4.949 5.320 . 0 0 "[ . 1 . 2]" 1
369 1 25 THR MG 1 26 ALA H . . 4.580 3.640 3.459 3.939 . 0 0 "[ . 1 . 2]" 1
370 1 25 THR MG 1 26 ALA HA . . 5.500 3.703 3.458 4.254 . 0 0 "[ . 1 . 2]" 1
371 1 25 THR MG 1 28 LYS HD2 . . 5.430 4.700 2.582 5.950 0.520 14 1 "[ . 1 +. 2]" 1
372 1 25 THR MG 1 28 LYS HG3 . . 5.500 4.589 3.224 5.632 0.132 14 0 "[ . 1 . 2]" 1
373 1 25 THR MG 1 29 VAL H . . 4.500 4.202 3.843 4.493 . 0 0 "[ . 1 . 2]" 1
374 1 25 THR MG 1 29 VAL HB . . 5.430 4.919 4.165 5.318 . 0 0 "[ . 1 . 2]" 1
375 1 26 ALA H 1 27 GLU H . . 4.510 2.649 2.535 2.764 . 0 0 "[ . 1 . 2]" 1
376 1 26 ALA H 1 28 LYS H . . 4.280 4.165 3.974 4.393 0.113 17 0 "[ . 1 . 2]" 1
377 1 26 ALA HA 1 27 GLU HA . . 4.890 4.791 4.753 4.863 . 0 0 "[ . 1 . 2]" 1
378 1 26 ALA HA 1 29 VAL H . . 4.140 3.518 3.243 3.677 . 0 0 "[ . 1 . 2]" 1
379 1 26 ALA HA 1 29 VAL HB . . 3.650 3.103 2.598 3.669 0.019 11 0 "[ . 1 . 2]" 1
380 1 26 ALA HA 1 29 VAL MG1 . . 4.790 4.253 3.878 4.618 . 0 0 "[ . 1 . 2]" 1
381 1 26 ALA HA 1 29 VAL MG2 . . 4.830 2.419 1.968 3.284 . 0 0 "[ . 1 . 2]" 1
382 1 26 ALA HA 1 30 PHE H . . 5.330 4.558 3.767 5.056 . 0 0 "[ . 1 . 2]" 1
383 1 26 ALA MB 1 27 GLU H . . 4.270 2.599 2.452 2.782 . 0 0 "[ . 1 . 2]" 1
384 1 26 ALA MB 1 28 LYS H . . 4.760 4.550 4.418 4.762 0.002 17 0 "[ . 1 . 2]" 1
385 1 26 ALA MB 1 29 VAL H . . 4.730 4.600 4.405 4.716 . 0 0 "[ . 1 . 2]" 1
386 1 26 ALA MB 1 30 PHE H . . 5.500 4.880 4.275 5.318 . 0 0 "[ . 1 . 2]" 1
387 1 27 GLU H 1 27 GLU QG . . 4.280 3.789 2.140 4.019 . 0 0 "[ . 1 . 2]" 1
388 1 27 GLU H 1 28 LYS H . . 4.170 2.680 2.581 2.850 . 0 0 "[ . 1 . 2]" 1
389 1 27 GLU HA 1 30 PHE H . . 5.220 3.615 3.397 3.788 . 0 0 "[ . 1 . 2]" 1
390 1 27 GLU HA 1 30 PHE HB3 . . 4.200 4.421 3.952 5.087 0.887 14 3 "[ . - * +. 2]" 1
391 1 27 GLU HA 1 31 LYS H . . 4.360 4.169 3.793 4.408 0.048 16 0 "[ . 1 . 2]" 1
392 1 27 GLU HB2 1 28 LYS H . . 4.850 3.882 3.560 4.001 . 0 0 "[ . 1 . 2]" 1
393 1 27 GLU HB3 1 28 LYS H . . 4.140 2.727 2.364 3.917 . 0 0 "[ . 1 . 2]" 1
394 1 27 GLU QG 1 28 LYS H . . 5.100 3.542 2.163 4.066 . 0 0 "[ . 1 . 2]" 1
395 1 27 GLU QG 1 31 LYS HB2 . . 4.020 3.597 3.158 4.035 0.015 3 0 "[ . 1 . 2]" 1
396 1 28 LYS H 1 28 LYS HB3 . . 4.010 3.286 2.543 3.595 . 0 0 "[ . 1 . 2]" 1
397 1 28 LYS H 1 28 LYS HD2 . . 5.260 4.500 3.471 5.127 . 0 0 "[ . 1 . 2]" 1
398 1 28 LYS H 1 28 LYS HD3 . . 4.850 4.523 3.354 5.036 0.186 6 0 "[ . 1 . 2]" 1
399 1 28 LYS H 1 28 LYS QE . . 5.500 4.745 3.189 5.384 . 0 0 "[ . 1 . 2]" 1
400 1 28 LYS H 1 28 LYS HG2 . . 4.260 3.135 1.939 4.450 0.190 14 0 "[ . 1 . 2]" 1
401 1 28 LYS H 1 28 LYS HG3 . . 4.450 2.949 2.112 4.161 . 0 0 "[ . 1 . 2]" 1
402 1 28 LYS H 1 29 VAL H . . 4.240 2.655 2.577 2.720 . 0 0 "[ . 1 . 2]" 1
403 1 28 LYS H 1 29 VAL MG2 . . 4.850 4.076 3.805 4.266 . 0 0 "[ . 1 . 2]" 1
404 1 28 LYS HA 1 28 LYS HD2 . . 5.240 4.476 2.683 5.521 0.281 5 0 "[ . 1 . 2]" 1
405 1 28 LYS HA 1 28 LYS HD3 . . 5.470 4.322 2.863 5.485 0.015 10 0 "[ . 1 . 2]" 1
406 1 28 LYS HA 1 28 LYS HG3 . . 4.240 3.256 2.208 3.803 . 0 0 "[ . 1 . 2]" 1
407 1 28 LYS HA 1 31 LYS H . . 4.760 3.483 3.248 3.806 . 0 0 "[ . 1 . 2]" 1
408 1 28 LYS HA 1 31 LYS HB2 . . 4.590 2.711 1.984 4.117 . 0 0 "[ . 1 . 2]" 1
409 1 28 LYS HA 1 31 LYS HB3 . . 4.710 3.407 1.998 4.362 . 0 0 "[ . 1 . 2]" 1
410 1 28 LYS HA 1 32 GLN H . . 4.500 3.735 3.463 3.917 . 0 0 "[ . 1 . 2]" 1
411 1 28 LYS HA 1 32 GLN QB . . 4.640 4.333 4.070 4.643 0.003 3 0 "[ . 1 . 2]" 1
412 1 28 LYS HB2 1 28 LYS QE . . 4.420 3.741 2.451 4.254 . 0 0 "[ . 1 . 2]" 1
413 1 28 LYS HB2 1 29 VAL H . . 4.690 3.072 2.650 3.878 . 0 0 "[ . 1 . 2]" 1
414 1 28 LYS HB2 1 29 VAL HA . . 4.630 4.532 4.171 5.099 0.469 14 0 "[ . 1 . 2]" 1
415 1 28 LYS HB2 1 32 GLN H . . 5.190 5.431 4.341 6.042 0.852 3 7 "[-*+ .** *1 *. 2]" 1
416 1 28 LYS HB3 1 29 VAL H . . 4.400 3.620 3.058 4.036 . 0 0 "[ . 1 . 2]" 1
417 1 28 LYS HB3 1 29 VAL HA . . 5.500 4.577 3.884 5.649 0.149 15 0 "[ . 1 . 2]" 1
418 1 28 LYS HG2 1 29 VAL H . . 5.480 4.386 2.553 5.206 . 0 0 "[ . 1 . 2]" 1
419 1 28 LYS HG3 1 29 VAL H . . 5.500 4.056 2.091 4.996 . 0 0 "[ . 1 . 2]" 1
420 1 29 VAL H 1 29 VAL HB . . 3.440 2.556 2.470 2.666 . 0 0 "[ . 1 . 2]" 1
421 1 29 VAL H 1 29 VAL MG1 . . 4.090 3.762 3.757 3.768 . 0 0 "[ . 1 . 2]" 1
422 1 29 VAL H 1 29 VAL MG2 . . 4.140 2.170 1.928 2.330 . 0 0 "[ . 1 . 2]" 1
423 1 29 VAL H 1 30 PHE H . . 4.300 2.762 2.574 2.873 . 0 0 "[ . 1 . 2]" 1
424 1 29 VAL H 1 31 LYS H . . 4.580 4.130 3.855 4.436 . 0 0 "[ . 1 . 2]" 1
425 1 29 VAL HA 1 32 GLN H . . 4.520 3.804 3.522 4.069 . 0 0 "[ . 1 . 2]" 1
426 1 29 VAL HA 1 32 GLN QB . . 4.700 3.001 2.308 3.490 . 0 0 "[ . 1 . 2]" 1
427 1 29 VAL HA 1 32 GLN QG . . 5.500 4.985 4.288 5.505 0.005 10 0 "[ . 1 . 2]" 1
428 1 29 VAL HA 1 33 TYR H . . 5.500 3.873 3.448 4.344 . 0 0 "[ . 1 . 2]" 1
429 1 29 VAL HB 1 30 PHE H . . 3.590 2.485 2.338 2.725 . 0 0 "[ . 1 . 2]" 1
430 1 29 VAL MG1 1 30 PHE H . . 4.070 3.359 3.081 3.680 . 0 0 "[ . 1 . 2]" 1
431 1 29 VAL MG1 1 30 PHE HA . . 5.500 3.491 3.252 3.810 . 0 0 "[ . 1 . 2]" 1
432 1 29 VAL MG1 1 32 GLN H . . 5.230 4.953 4.634 5.227 . 0 0 "[ . 1 . 2]" 1
433 1 29 VAL MG2 1 30 PHE H . . 4.160 3.786 3.661 3.903 . 0 0 "[ . 1 . 2]" 1
434 1 29 VAL MG2 1 30 PHE HA . . 5.490 5.380 5.346 5.403 . 0 0 "[ . 1 . 2]" 1
435 1 29 VAL MG2 1 32 GLN H . . 5.500 5.364 5.158 5.514 0.014 6 0 "[ . 1 . 2]" 1
436 1 30 PHE H 1 31 LYS H . . 4.330 2.607 2.460 2.783 . 0 0 "[ . 1 . 2]" 1
437 1 30 PHE HA 1 32 GLN HE21 . . 5.500 5.326 5.033 5.503 0.003 16 0 "[ . 1 . 2]" 1
438 1 30 PHE HA 1 33 TYR HB3 . . 5.350 2.906 2.340 4.278 . 0 0 "[ . 1 . 2]" 1
439 1 30 PHE HA 1 34 ALA H . . 4.390 3.786 3.319 4.290 . 0 0 "[ . 1 . 2]" 1
440 1 30 PHE HA 1 43 TRP HH2 . . 4.910 4.787 3.868 4.945 0.035 6 0 "[ . 1 . 2]" 1
441 1 30 PHE HB2 1 43 TRP HH2 . . 4.920 4.575 3.686 5.353 0.433 5 0 "[ . 1 . 2]" 1
442 1 30 PHE HB2 1 43 TRP HZ3 . . 5.500 4.447 3.661 5.085 . 0 0 "[ . 1 . 2]" 1
443 1 30 PHE HB3 1 43 TRP HH2 . . 5.420 3.840 2.582 5.450 0.030 13 0 "[ . 1 . 2]" 1
444 1 31 LYS H 1 31 LYS HB3 . . 3.940 3.213 2.303 3.421 . 0 0 "[ . 1 . 2]" 1
445 1 31 LYS H 1 31 LYS HD2 . . 4.850 4.496 4.117 4.867 0.017 7 0 "[ . 1 . 2]" 1
446 1 31 LYS H 1 31 LYS HG3 . . 4.880 4.182 4.044 4.515 . 0 0 "[ . 1 . 2]" 1
447 1 31 LYS H 1 32 GLN H . . 4.450 2.694 2.541 2.831 . 0 0 "[ . 1 . 2]" 1
448 1 31 LYS H 1 43 TRP HH2 . . 5.500 5.166 4.135 5.573 0.073 20 0 "[ . 1 . 2]" 1
449 1 31 LYS HA 1 31 LYS HE3 . . 4.900 3.940 2.213 4.949 0.049 11 0 "[ . 1 . 2]" 1
450 1 31 LYS HA 1 34 ALA H . . 4.820 3.762 3.401 4.043 . 0 0 "[ . 1 . 2]" 1
451 1 31 LYS HA 1 34 ALA MB . . 4.770 2.953 2.483 3.336 . 0 0 "[ . 1 . 2]" 1
452 1 31 LYS HA 1 35 ASN H . . 4.090 3.865 3.573 4.103 0.013 13 0 "[ . 1 . 2]" 1
453 1 31 LYS HA 1 43 TRP HH2 . . 4.280 3.795 2.636 4.363 0.083 9 0 "[ . 1 . 2]" 1
454 1 31 LYS HA 1 43 TRP HZ2 . . 4.120 3.841 2.958 4.091 . 0 0 "[ . 1 . 2]" 1
455 1 31 LYS HB2 1 32 GLN HA . . 5.500 5.098 4.873 5.589 0.089 16 0 "[ . 1 . 2]" 1
456 1 31 LYS HB3 1 32 GLN H . . 4.050 2.930 2.424 3.323 . 0 0 "[ . 1 . 2]" 1
457 1 31 LYS HB3 1 32 GLN HA . . 4.470 3.990 3.870 4.557 0.087 11 0 "[ . 1 . 2]" 1
458 1 31 LYS HD2 1 43 TRP HE1 . . 4.710 4.544 3.781 4.736 0.026 20 0 "[ . 1 . 2]" 1
459 1 31 LYS HD2 1 43 TRP HZ2 . . 5.050 4.062 2.812 4.591 . 0 0 "[ . 1 . 2]" 1
460 1 31 LYS HD3 1 43 TRP HE1 . . 4.600 4.522 3.669 4.757 0.157 13 0 "[ . 1 . 2]" 1
461 1 31 LYS HE2 1 32 GLN HA . . 5.500 5.322 4.942 5.507 0.007 13 0 "[ . 1 . 2]" 1
462 1 31 LYS HE3 1 32 GLN HA . . 5.000 5.074 3.613 5.506 0.506 9 3 "[ -. +1 . * 2]" 1
463 1 31 LYS HG3 1 32 GLN H . . 4.910 4.859 2.944 5.270 0.360 19 0 "[ . 1 . 2]" 1
464 1 32 GLN H 1 33 TYR H . . 4.450 2.625 2.554 2.711 . 0 0 "[ . 1 . 2]" 1
465 1 32 GLN H 1 34 ALA MB . . 5.500 4.854 4.575 5.014 . 0 0 "[ . 1 . 2]" 1
466 1 32 GLN HA 1 34 ALA MB . . 5.190 5.099 4.931 5.215 0.025 16 0 "[ . 1 . 2]" 1
467 1 32 GLN HA 1 35 ASN H . . 4.240 3.541 3.400 3.757 . 0 0 "[ . 1 . 2]" 1
468 1 32 GLN HA 1 35 ASN QB . . 3.880 2.632 2.362 3.763 . 0 0 "[ . 1 . 2]" 1
469 1 32 GLN HA 1 35 ASN HD21 . . 4.820 3.395 1.913 5.317 0.497 19 0 "[ . 1 . 2]" 1
470 1 32 GLN HA 1 36 ASP H . . 4.310 3.807 3.555 4.354 0.044 7 0 "[ . 1 . 2]" 1
471 1 32 GLN QB 1 32 GLN HE22 . . 4.910 3.197 3.196 3.202 . 0 0 "[ . 1 . 2]" 1
472 1 32 GLN QB 1 33 TYR H . . 4.540 2.497 2.457 2.542 . 0 0 "[ . 1 . 2]" 1
473 1 32 GLN HE21 1 33 TYR HA . . 4.690 2.540 2.489 2.613 . 0 0 "[ . 1 . 2]" 1
474 1 32 GLN HE21 1 34 ALA H . . 4.420 4.444 4.401 4.464 0.044 11 0 "[ . 1 . 2]" 1
475 1 32 GLN QG 1 33 TYR H . . 5.500 3.704 3.679 3.780 . 0 0 "[ . 1 . 2]" 1
476 1 32 GLN QG 1 35 ASN QB . . 5.160 4.139 3.834 5.170 0.010 19 0 "[ . 1 . 2]" 1
477 1 32 GLN QG 1 36 ASP H . . 4.470 3.930 3.635 4.472 0.002 7 0 "[ . 1 . 2]" 1
478 1 32 GLN QG 1 36 ASP HB3 . . 5.500 4.476 3.684 5.511 0.011 2 0 "[ . 1 . 2]" 1
479 1 33 TYR H 1 34 ALA H . . 4.410 2.696 2.512 2.787 . 0 0 "[ . 1 . 2]" 1
480 1 33 TYR H 1 34 ALA MB . . 4.550 4.378 4.173 4.481 . 0 0 "[ . 1 . 2]" 1
481 1 33 TYR HA 1 35 ASN H . . 4.870 4.694 4.518 4.812 . 0 0 "[ . 1 . 2]" 1
482 1 33 TYR HA 1 36 ASP HB2 . . 5.090 3.557 2.822 4.330 . 0 0 "[ . 1 . 2]" 1
483 1 33 TYR HA 1 36 ASP HB3 . . 4.270 3.342 2.799 4.686 0.416 2 0 "[ . 1 . 2]" 1
484 1 33 TYR HB3 1 34 ALA H . . 3.990 2.708 2.530 3.273 . 0 0 "[ . 1 . 2]" 1
485 1 34 ALA H 1 35 ASN H . . 4.370 2.588 2.550 2.659 . 0 0 "[ . 1 . 2]" 1
486 1 34 ALA H 1 35 ASN QB . . 4.270 4.314 4.260 4.598 0.328 7 0 "[ . 1 . 2]" 1
487 1 34 ALA H 1 37 ASN H . . 5.350 4.881 4.655 5.221 . 0 0 "[ . 1 . 2]" 1
488 1 34 ALA H 1 39 VAL QG . . 4.620 4.337 4.116 4.495 . 0 0 "[ . 1 . 2]" 1
489 1 34 ALA H 1 43 TRP HH2 . . 4.510 4.464 4.074 4.571 0.061 17 0 "[ . 1 . 2]" 1
490 1 34 ALA H 1 43 TRP HZ2 . . 4.870 4.721 4.371 4.883 0.013 1 0 "[ . 1 . 2]" 1
491 1 34 ALA HA 1 37 ASN H . . 3.990 3.566 3.367 3.823 . 0 0 "[ . 1 . 2]" 1
492 1 34 ALA HA 1 39 VAL H . . 4.640 4.354 3.452 4.730 0.090 14 0 "[ . 1 . 2]" 1
493 1 34 ALA HA 1 39 VAL HB . . 4.280 3.736 2.958 4.149 . 0 0 "[ . 1 . 2]" 1
494 1 34 ALA HA 1 39 VAL QG . . 4.760 2.539 1.943 3.129 . 0 0 "[ . 1 . 2]" 1
495 1 34 ALA HA 1 43 TRP HH2 . . 5.140 4.862 4.370 5.197 0.057 17 0 "[ . 1 . 2]" 1
496 1 34 ALA HA 1 43 TRP HZ2 . . 5.080 4.555 4.394 4.835 . 0 0 "[ . 1 . 2]" 1
497 1 34 ALA MB 1 35 ASN H . . 4.060 2.475 2.404 2.674 . 0 0 "[ . 1 . 2]" 1
498 1 34 ALA MB 1 36 ASP H . . 5.160 4.515 4.335 4.633 . 0 0 "[ . 1 . 2]" 1
499 1 34 ALA MB 1 37 ASN H . . 5.500 4.515 4.393 4.635 . 0 0 "[ . 1 . 2]" 1
500 1 34 ALA MB 1 39 VAL QG . . 5.500 2.008 1.831 2.445 . 0 0 "[ . 1 . 2]" 1
501 1 34 ALA MB 1 43 TRP HE1 . . 4.530 4.020 3.581 4.355 . 0 0 "[ . 1 . 2]" 1
502 1 34 ALA MB 1 43 TRP HH2 . . 4.390 2.320 1.942 2.977 . 0 0 "[ . 1 . 2]" 1
503 1 34 ALA MB 1 43 TRP HZ2 . . 3.580 1.960 1.910 2.095 . 0 0 "[ . 1 . 2]" 1
504 1 35 ASN H 1 35 ASN QB . . 3.600 2.201 2.086 2.229 . 0 0 "[ . 1 . 2]" 1
505 1 35 ASN H 1 36 ASP H . . 4.070 2.706 2.587 2.769 . 0 0 "[ . 1 . 2]" 1
506 1 35 ASN H 1 37 ASN H . . 5.460 4.010 3.857 4.155 . 0 0 "[ . 1 . 2]" 1
507 1 35 ASN H 1 39 VAL QG . . 4.830 3.852 3.411 4.508 . 0 0 "[ . 1 . 2]" 1
508 1 35 ASN HA 1 37 ASN H . . 4.120 3.910 3.607 4.127 0.007 20 0 "[ . 1 . 2]" 1
509 1 35 ASN HA 1 38 GLY H . . 4.080 3.376 3.062 3.589 . 0 0 "[ . 1 . 2]" 1
510 1 35 ASN HA 1 38 GLY HA2 . . 4.360 4.059 3.604 4.372 0.012 15 0 "[ . 1 . 2]" 1
511 1 35 ASN HA 1 39 VAL H . . 4.140 3.349 3.145 3.736 . 0 0 "[ . 1 . 2]" 1
512 1 35 ASN HA 1 39 VAL HB . . 4.790 4.470 3.476 4.961 0.171 14 0 "[ . 1 . 2]" 1
513 1 35 ASN QB 1 36 ASP H . . 3.920 2.712 2.515 3.432 . 0 0 "[ . 1 . 2]" 1
514 1 35 ASN QB 1 36 ASP HA . . 5.370 4.331 3.764 4.623 . 0 0 "[ . 1 . 2]" 1
515 1 35 ASN QB 1 38 GLY H . . 4.960 4.804 4.477 4.964 0.004 20 0 "[ . 1 . 2]" 1
516 1 35 ASN HD21 1 36 ASP HA . . 4.640 3.877 3.027 5.442 0.802 7 1 "[ . + 1 . 2]" 1
517 1 36 ASP H 1 36 ASP HB2 . . 3.880 2.418 2.211 2.698 . 0 0 "[ . 1 . 2]" 1
518 1 36 ASP H 1 36 ASP HB3 . . 3.860 2.773 2.380 3.561 . 0 0 "[ . 1 . 2]" 1
519 1 36 ASP H 1 37 ASN H . . 4.230 2.652 2.562 2.697 . 0 0 "[ . 1 . 2]" 1
520 1 36 ASP H 1 38 GLY H . . 4.240 3.996 3.903 4.084 . 0 0 "[ . 1 . 2]" 1
521 1 36 ASP H 1 39 VAL H . . 5.500 5.246 5.050 5.360 . 0 0 "[ . 1 . 2]" 1
522 1 36 ASP HA 1 38 GLY H . . 4.090 3.716 3.548 3.972 . 0 0 "[ . 1 . 2]" 1
523 1 36 ASP HB2 1 37 ASN H . . 4.180 3.867 3.038 4.173 . 0 0 "[ . 1 . 2]" 1
524 1 36 ASP HB3 1 37 ASN H . . 4.770 3.104 2.787 3.772 . 0 0 "[ . 1 . 2]" 1
525 1 36 ASP HB3 1 37 ASN HB2 . . 4.580 4.328 3.986 5.091 0.511 2 1 "[ + . 1 . 2]" 1
526 1 37 ASN H 1 37 ASN HB2 . . 3.840 2.334 2.126 2.708 . 0 0 "[ . 1 . 2]" 1
527 1 37 ASN H 1 37 ASN HB3 . . 3.930 2.982 2.467 3.480 . 0 0 "[ . 1 . 2]" 1
528 1 37 ASN H 1 37 ASN HD21 . . 4.600 4.054 2.971 4.595 . 0 0 "[ . 1 . 2]" 1
529 1 37 ASN H 1 38 GLY H . . 4.140 2.391 2.120 2.517 . 0 0 "[ . 1 . 2]" 1
530 1 37 ASN H 1 38 GLY HA2 . . 5.310 4.695 4.407 4.818 . 0 0 "[ . 1 . 2]" 1
531 1 37 ASN H 1 39 VAL H . . 4.380 3.571 3.407 3.671 . 0 0 "[ . 1 . 2]" 1
532 1 37 ASN H 1 39 VAL QG . . 4.490 3.800 3.390 4.046 . 0 0 "[ . 1 . 2]" 1
533 1 37 ASN HB2 1 38 GLY H . . 4.380 3.954 3.545 4.308 . 0 0 "[ . 1 . 2]" 1
534 1 37 ASN HB3 1 38 GLY H . . 4.350 3.582 3.409 3.877 . 0 0 "[ . 1 . 2]" 1
535 1 38 GLY H 1 39 VAL H . . 4.050 2.450 2.362 2.505 . 0 0 "[ . 1 . 2]" 1
536 1 38 GLY H 1 39 VAL HB . . 5.410 4.758 4.635 4.941 . 0 0 "[ . 1 . 2]" 1
537 1 39 VAL H 1 39 VAL HB . . 3.500 2.551 2.506 2.657 . 0 0 "[ . 1 . 2]" 1
538 1 39 VAL H 1 39 VAL QG . . 4.100 2.128 1.909 2.256 . 0 0 "[ . 1 . 2]" 1
539 1 39 VAL H 1 40 ASP H . . 4.520 4.529 4.472 4.602 0.082 11 0 "[ . 1 . 2]" 1
540 1 39 VAL HA 1 40 ASP H . . 2.960 2.154 2.139 2.196 . 0 0 "[ . 1 . 2]" 1
541 1 39 VAL HA 1 40 ASP HA . . 4.650 4.399 4.393 4.412 . 0 0 "[ . 1 . 2]" 1
542 1 39 VAL HA 1 40 ASP HB2 . . 4.450 4.373 4.281 4.452 0.002 8 0 "[ . 1 . 2]" 1
543 1 39 VAL HA 1 40 ASP HB3 . . 4.900 4.782 4.748 4.821 . 0 0 "[ . 1 . 2]" 1
544 1 39 VAL HB 1 40 ASP H . . 4.350 4.217 4.121 4.291 . 0 0 "[ . 1 . 2]" 1
545 1 39 VAL QG 1 40 ASP H . . 4.130 2.541 2.157 2.802 . 0 0 "[ . 1 . 2]" 1
546 1 39 VAL QG 1 40 ASP HA . . 5.500 3.480 3.336 3.648 . 0 0 "[ . 1 . 2]" 1
547 1 39 VAL QG 1 43 TRP HE1 . . 4.760 3.167 2.393 3.834 . 0 0 "[ . 1 . 2]" 1
548 1 39 VAL QG 1 54 VAL HB . . 5.140 3.641 2.938 4.179 . 0 0 "[ . 1 . 2]" 1
549 1 39 VAL QG 1 54 VAL QG . . 5.100 1.922 1.634 2.395 . 0 0 "[ . 1 . 2]" 1
550 1 39 VAL QG 1 56 GLU QG . . 5.050 2.809 2.171 4.351 . 0 0 "[ . 1 . 2]" 1
551 1 40 ASP H 1 40 ASP HB2 . . 3.680 2.962 2.881 2.990 . 0 0 "[ . 1 . 2]" 1
552 1 40 ASP H 1 40 ASP HB3 . . 3.740 2.828 2.777 2.869 . 0 0 "[ . 1 . 2]" 1
553 1 40 ASP H 1 41 GLY H . . 4.530 4.427 4.391 4.455 . 0 0 "[ . 1 . 2]" 1
554 1 40 ASP H 1 54 VAL QG . . 4.920 4.447 3.991 4.809 . 0 0 "[ . 1 . 2]" 1
555 1 40 ASP H 1 56 GLU HB3 . . 4.610 3.997 3.472 4.752 0.142 18 0 "[ . 1 . 2]" 1
556 1 40 ASP H 1 56 GLU QG . . 4.780 3.634 2.764 4.813 0.033 15 0 "[ . 1 . 2]" 1
557 1 40 ASP HA 1 41 GLY H . . 2.980 2.230 2.196 2.281 . 0 0 "[ . 1 . 2]" 1
558 1 40 ASP HB2 1 41 GLY H . . 4.170 4.168 4.083 4.254 0.084 18 0 "[ . 1 . 2]" 1
559 1 40 ASP HB3 1 41 GLY H . . 3.830 3.812 3.674 3.875 0.045 18 0 "[ . 1 . 2]" 1
560 1 40 ASP HB3 1 56 GLU HB3 . . 4.740 4.657 4.139 5.177 0.437 15 0 "[ . 1 . 2]" 1
561 1 41 GLY H 1 54 VAL QG . . 4.850 4.451 4.042 4.795 . 0 0 "[ . 1 . 2]" 1
562 1 41 GLY QA 1 42 GLU HA . . 5.230 3.947 3.933 3.963 . 0 0 "[ . 1 . 2]" 1
563 1 41 GLY QA 1 54 VAL QG . . 5.170 3.486 2.989 3.918 . 0 0 "[ . 1 . 2]" 1
564 1 41 GLY QA 1 56 GLU HA . . 4.120 2.466 2.134 2.760 . 0 0 "[ . 1 . 2]" 1
565 1 41 GLY QA 1 56 GLU HB3 . . 5.500 4.014 3.425 4.661 . 0 0 "[ . 1 . 2]" 1
566 1 41 GLY QA 1 56 GLU QG . . 5.500 3.555 2.664 5.239 . 0 0 "[ . 1 . 2]" 1
567 1 42 GLU H 1 42 GLU QG . . 4.470 3.960 2.389 4.256 . 0 0 "[ . 1 . 2]" 1
568 1 42 GLU H 1 54 VAL HA . . 4.500 4.460 4.251 4.563 0.063 8 0 "[ . 1 . 2]" 1
569 1 42 GLU H 1 54 VAL QG . . 4.470 3.446 3.171 3.689 . 0 0 "[ . 1 . 2]" 1
570 1 42 GLU H 1 55 THR H . . 4.240 3.003 2.720 3.234 . 0 0 "[ . 1 . 2]" 1
571 1 42 GLU H 1 55 THR HB . . 4.460 3.835 3.470 4.520 0.060 13 0 "[ . 1 . 2]" 1
572 1 42 GLU H 1 55 THR MG . . 4.310 4.330 4.230 4.418 0.108 17 0 "[ . 1 . 2]" 1
573 1 42 GLU H 1 56 GLU HA . . 4.170 3.876 3.493 4.254 0.084 8 0 "[ . 1 . 2]" 1
574 1 42 GLU HA 1 43 TRP H . . 3.330 2.232 2.156 2.261 . 0 0 "[ . 1 . 2]" 1
575 1 42 GLU HA 1 43 TRP HB3 . . 5.500 5.629 5.603 5.652 0.152 14 0 "[ . 1 . 2]" 1
576 1 42 GLU HA 1 43 TRP HD1 . . 4.100 3.747 3.414 4.117 0.017 13 0 "[ . 1 . 2]" 1
577 1 42 GLU QB 1 43 TRP H . . 4.020 3.417 2.957 3.705 . 0 0 "[ . 1 . 2]" 1
578 1 42 GLU QB 1 55 THR H . . 4.330 3.578 3.211 3.921 . 0 0 "[ . 1 . 2]" 1
579 1 42 GLU QB 1 55 THR HB . . 4.670 3.639 3.066 4.469 . 0 0 "[ . 1 . 2]" 1
580 1 42 GLU QB 1 55 THR MG . . 4.930 4.147 3.344 4.612 . 0 0 "[ . 1 . 2]" 1
581 1 42 GLU QG 1 43 TRP H . . 4.280 2.519 1.999 4.282 0.002 13 0 "[ . 1 . 2]" 1
582 1 43 TRP H 1 43 TRP HD1 . . 4.080 3.255 2.996 3.484 . 0 0 "[ . 1 . 2]" 1
583 1 43 TRP HA 1 43 TRP HE3 . . 5.350 3.369 2.979 3.536 . 0 0 "[ . 1 . 2]" 1
584 1 43 TRP HA 1 43 TRP HZ3 . . 5.500 5.396 5.041 5.548 0.048 9 0 "[ . 1 . 2]" 1
585 1 43 TRP HA 1 44 THR H . . 3.450 2.226 2.187 2.401 . 0 0 "[ . 1 . 2]" 1
586 1 43 TRP HA 1 44 THR MG . . 5.230 5.008 3.745 5.273 0.043 14 0 "[ . 1 . 2]" 1
587 1 43 TRP HA 1 53 THR H . . 4.350 4.414 4.376 4.458 0.108 14 0 "[ . 1 . 2]" 1
588 1 43 TRP HA 1 54 VAL HA . . 4.000 2.561 2.345 2.888 . 0 0 "[ . 1 . 2]" 1
589 1 43 TRP HB2 1 44 THR H . . 4.840 4.155 3.777 4.270 . 0 0 "[ . 1 . 2]" 1
590 1 43 TRP HB3 1 43 TRP HE1 . . 5.250 5.250 5.222 5.260 0.010 9 0 "[ . 1 . 2]" 1
591 1 43 TRP HB3 1 44 THR H . . 4.960 2.998 2.450 3.144 . 0 0 "[ . 1 . 2]" 1
592 1 43 TRP HD1 1 54 VAL HB . . 5.410 5.110 4.602 5.751 0.341 17 0 "[ . 1 . 2]" 1
593 1 43 TRP HD1 1 54 VAL QG . . 4.730 3.749 2.802 4.209 . 0 0 "[ . 1 . 2]" 1
594 1 43 TRP HE1 1 54 VAL QG . . 4.220 2.969 2.360 3.408 . 0 0 "[ . 1 . 2]" 1
595 1 43 TRP HE3 1 44 THR H . . 5.150 3.297 2.660 3.488 . 0 0 "[ . 1 . 2]" 1
596 1 43 TRP HE3 1 52 PHE HB2 . . 4.870 4.331 3.641 4.895 0.025 10 0 "[ . 1 . 2]" 1
597 1 43 TRP HE3 1 52 PHE HB3 . . 4.840 2.998 2.731 3.276 . 0 0 "[ . 1 . 2]" 1
598 1 43 TRP HE3 1 54 VAL QG . . 5.500 4.094 2.963 4.607 . 0 0 "[ . 1 . 2]" 1
599 1 43 TRP HH2 1 54 VAL QG . . 4.680 3.235 2.775 4.129 . 0 0 "[ . 1 . 2]" 1
600 1 43 TRP HZ2 1 54 VAL HB . . 4.370 3.774 3.371 4.701 0.331 17 0 "[ . 1 . 2]" 1
601 1 43 TRP HZ2 1 54 VAL QG . . 3.890 2.960 2.555 3.546 . 0 0 "[ . 1 . 2]" 1
602 1 43 TRP HZ3 1 44 THR H . . 5.500 5.369 4.882 5.529 0.029 14 0 "[ . 1 . 2]" 1
603 1 43 TRP HZ3 1 52 PHE HA . . 5.500 5.434 4.900 5.546 0.046 11 0 "[ . 1 . 2]" 1
604 1 43 TRP HZ3 1 52 PHE HB2 . . 4.940 3.593 3.056 4.305 . 0 0 "[ . 1 . 2]" 1
605 1 43 TRP HZ3 1 52 PHE HB3 . . 5.120 3.206 2.387 3.745 . 0 0 "[ . 1 . 2]" 1
606 1 43 TRP HZ3 1 53 THR H . . 4.610 4.466 4.267 4.713 0.103 17 0 "[ . 1 . 2]" 1
607 1 43 TRP HZ3 1 54 VAL QG . . 5.310 3.718 3.063 4.586 . 0 0 "[ . 1 . 2]" 1
608 1 44 THR H 1 44 THR MG . . 4.490 3.643 2.144 3.959 . 0 0 "[ . 1 . 2]" 1
609 1 44 THR H 1 53 THR H . . 4.340 2.721 2.519 3.051 . 0 0 "[ . 1 . 2]" 1
610 1 44 THR H 1 53 THR MG . . 5.500 4.057 2.390 5.344 . 0 0 "[ . 1 . 2]" 1
611 1 44 THR H 1 54 VAL HA . . 4.680 3.739 3.459 4.562 . 0 0 "[ . 1 . 2]" 1
612 1 44 THR HB 1 45 TYR H . . 3.930 3.575 3.358 3.943 0.013 10 0 "[ . 1 . 2]" 1
613 1 44 THR HB 1 53 THR H . . 4.500 3.318 2.792 4.360 . 0 0 "[ . 1 . 2]" 1
614 1 44 THR MG 1 45 TYR H . . 4.180 2.491 2.117 3.398 . 0 0 "[ . 1 . 2]" 1
615 1 44 THR MG 1 45 TYR HA . . 5.020 4.090 3.447 4.349 . 0 0 "[ . 1 . 2]" 1
616 1 44 THR MG 1 46 ASP H . . 5.240 4.453 3.929 4.751 . 0 0 "[ . 1 . 2]" 1
617 1 44 THR MG 1 53 THR H . . 4.820 4.209 1.842 4.817 . 0 0 "[ . 1 . 2]" 1
618 1 44 THR MG 1 53 THR HB . . 5.500 4.294 1.884 5.538 0.038 7 0 "[ . 1 . 2]" 1
619 1 45 TYR HA 1 52 PHE HA . . 3.900 2.953 2.523 3.946 0.046 14 0 "[ . 1 . 2]" 1
620 1 45 TYR HB3 1 46 ASP H . . 4.590 4.110 3.601 4.323 . 0 0 "[ . 1 . 2]" 1
621 1 46 ASP H 1 51 THR MG . . 5.120 3.632 3.423 4.469 . 0 0 "[ . 1 . 2]" 1
622 1 46 ASP H 1 52 PHE HA . . 4.490 3.539 3.092 4.420 . 0 0 "[ . 1 . 2]" 1
623 1 46 ASP HA 1 47 ASP HA . . 4.470 4.460 4.456 4.464 . 0 0 "[ . 1 . 2]" 1
624 1 46 ASP HA 1 48 ALA H . . 3.650 3.257 3.237 3.267 . 0 0 "[ . 1 . 2]" 1
625 1 46 ASP QB 1 47 ASP H . . 4.520 3.658 3.631 3.976 . 0 0 "[ . 1 . 2]" 1
626 1 46 ASP QB 1 48 ALA H . . 4.280 2.989 2.885 3.813 . 0 0 "[ . 1 . 2]" 1
627 1 46 ASP QB 1 49 THR H . . 4.430 2.721 2.403 3.376 . 0 0 "[ . 1 . 2]" 1
628 1 46 ASP QB 1 49 THR MG . . 5.210 3.773 2.065 3.994 . 0 0 "[ . 1 . 2]" 1
629 1 46 ASP QB 1 50 LYS HA . . 5.180 4.560 4.330 4.703 . 0 0 "[ . 1 . 2]" 1
630 1 46 ASP QB 1 51 THR H . . 4.180 2.758 2.528 3.014 . 0 0 "[ . 1 . 2]" 1
631 1 46 ASP QB 1 51 THR HB . . 4.700 4.601 4.580 4.631 . 0 0 "[ . 1 . 2]" 1
632 1 46 ASP QB 1 51 THR MG . . 5.130 2.255 2.129 2.930 . 0 0 "[ . 1 . 2]" 1
633 1 47 ASP H 1 47 ASP HB2 . . 4.080 2.950 2.077 3.594 . 0 0 "[ . 1 . 2]" 1
634 1 47 ASP H 1 47 ASP HB3 . . 4.130 2.943 2.313 3.589 . 0 0 "[ . 1 . 2]" 1
635 1 47 ASP H 1 48 ALA MB . . 4.770 4.190 4.130 4.263 . 0 0 "[ . 1 . 2]" 1
636 1 47 ASP HA 1 50 LYS H . . 4.450 3.169 3.149 3.250 . 0 0 "[ . 1 . 2]" 1
637 1 47 ASP HA 1 50 LYS QE . . 4.840 3.941 3.121 4.663 . 0 0 "[ . 1 . 2]" 1
638 1 47 ASP HA 1 50 LYS QG . . 4.680 3.984 3.018 4.429 . 0 0 "[ . 1 . 2]" 1
639 1 47 ASP HB2 1 48 ALA H . . 4.570 3.838 3.261 4.312 . 0 0 "[ . 1 . 2]" 1
640 1 47 ASP HB2 1 48 ALA HA . . 5.380 4.803 4.184 5.716 0.336 4 0 "[ . 1 . 2]" 1
641 1 47 ASP HB3 1 48 ALA H . . 5.310 4.005 3.254 4.329 . 0 0 "[ . 1 . 2]" 1
642 1 48 ALA H 1 48 ALA MB . . 3.610 2.144 2.045 2.248 . 0 0 "[ . 1 . 2]" 1
643 1 48 ALA H 1 49 THR H . . 4.110 2.594 2.497 2.614 . 0 0 "[ . 1 . 2]" 1
644 1 48 ALA H 1 49 THR MG . . 4.720 4.653 3.735 4.923 0.203 19 0 "[ . 1 . 2]" 1
645 1 48 ALA H 1 50 LYS H . . 4.340 3.474 3.417 3.514 . 0 0 "[ . 1 . 2]" 1
646 1 48 ALA HA 1 49 THR MG . . 4.550 4.516 4.259 4.675 0.125 19 0 "[ . 1 . 2]" 1
647 1 48 ALA MB 1 49 THR H . . 3.820 2.516 2.439 2.653 . 0 0 "[ . 1 . 2]" 1
648 1 48 ALA MB 1 49 THR MG . . 4.750 2.689 2.468 2.884 . 0 0 "[ . 1 . 2]" 1
649 1 48 ALA MB 1 50 LYS H . . 4.360 4.132 4.094 4.178 . 0 0 "[ . 1 . 2]" 1
650 1 49 THR H 1 49 THR MG . . 3.830 2.825 1.922 3.127 . 0 0 "[ . 1 . 2]" 1
651 1 49 THR H 1 50 LYS H . . 4.310 2.191 2.046 2.244 . 0 0 "[ . 1 . 2]" 1
652 1 49 THR H 1 50 LYS HA . . 4.400 4.305 4.241 4.336 . 0 0 "[ . 1 . 2]" 1
653 1 49 THR H 1 50 LYS QE . . 5.440 4.789 3.788 5.258 . 0 0 "[ . 1 . 2]" 1
654 1 49 THR H 1 50 LYS QG . . 4.540 4.348 4.176 4.445 . 0 0 "[ . 1 . 2]" 1
655 1 49 THR H 1 51 THR H . . 4.380 3.554 3.413 3.769 . 0 0 "[ . 1 . 2]" 1
656 1 49 THR H 1 51 THR MG . . 5.220 3.835 3.461 4.109 . 0 0 "[ . 1 . 2]" 1
657 1 49 THR HA 1 49 THR MG . . 3.610 2.353 2.199 3.154 . 0 0 "[ . 1 . 2]" 1
658 1 49 THR HA 1 50 LYS QD . . 5.500 4.158 2.632 5.017 . 0 0 "[ . 1 . 2]" 1
659 1 49 THR HA 1 50 LYS QE . . 5.500 4.242 2.415 5.207 . 0 0 "[ . 1 . 2]" 1
660 1 49 THR HA 1 51 THR H . . 4.930 4.684 4.307 4.965 0.035 17 0 "[ . 1 . 2]" 1
661 1 49 THR HB 1 50 LYS H . . 5.500 4.295 4.176 4.482 . 0 0 "[ . 1 . 2]" 1
662 1 49 THR HB 1 51 THR H . . 5.420 4.104 3.800 4.624 . 0 0 "[ . 1 . 2]" 1
663 1 49 THR HB 1 51 THR HB . . 4.010 3.396 3.101 4.562 0.552 19 1 "[ . 1 . +2]" 1
664 1 49 THR MG 1 50 LYS H . . 4.400 4.211 2.952 4.377 . 0 0 "[ . 1 . 2]" 1
665 1 49 THR MG 1 51 THR H . . 5.100 4.658 2.154 5.043 . 0 0 "[ . 1 . 2]" 1
666 1 50 LYS H 1 50 LYS QD . . 4.630 2.768 2.448 3.302 . 0 0 "[ . 1 . 2]" 1
667 1 50 LYS H 1 50 LYS QE . . 5.500 3.595 2.808 4.063 . 0 0 "[ . 1 . 2]" 1
668 1 50 LYS H 1 51 THR H . . 4.380 2.845 2.708 2.909 . 0 0 "[ . 1 . 2]" 1
669 1 50 LYS H 1 51 THR MG . . 5.500 4.190 3.502 4.303 . 0 0 "[ . 1 . 2]" 1
670 1 50 LYS HA 1 50 LYS QD . . 4.440 2.809 2.217 3.857 . 0 0 "[ . 1 . 2]" 1
671 1 50 LYS HA 1 50 LYS QE . . 4.890 4.201 4.096 4.636 . 0 0 "[ . 1 . 2]" 1
672 1 50 LYS HB2 1 51 THR HA . . 4.650 4.644 4.498 4.678 0.028 10 0 "[ . 1 . 2]" 1
673 1 50 LYS HB3 1 51 THR H . . 4.580 4.511 4.476 4.535 . 0 0 "[ . 1 . 2]" 1
674 1 50 LYS QD 1 51 THR H . . 4.590 4.550 4.456 4.634 0.044 20 0 "[ . 1 . 2]" 1
675 1 50 LYS QG 1 51 THR H . . 5.070 4.618 4.479 4.691 . 0 0 "[ . 1 . 2]" 1
676 1 51 THR H 1 51 THR HB . . 3.710 3.007 2.608 3.809 0.099 19 0 "[ . 1 . 2]" 1
677 1 51 THR H 1 51 THR MG . . 4.340 2.154 2.097 2.187 . 0 0 "[ . 1 . 2]" 1
678 1 51 THR H 1 52 PHE HA . . 5.500 4.908 4.843 5.227 . 0 0 "[ . 1 . 2]" 1
679 1 51 THR HA 1 52 PHE H . . 3.440 2.199 2.197 2.202 . 0 0 "[ . 1 . 2]" 1
680 1 51 THR HB 1 52 PHE H . . 4.440 4.112 3.139 4.187 . 0 0 "[ . 1 . 2]" 1
681 1 51 THR MG 1 52 PHE H . . 4.200 3.721 3.608 4.249 0.049 19 0 "[ . 1 . 2]" 1
682 1 52 PHE H 1 53 THR H . . 5.220 4.518 4.457 4.542 . 0 0 "[ . 1 . 2]" 1
683 1 52 PHE HB2 1 53 THR H . . 4.460 3.727 3.384 4.108 . 0 0 "[ . 1 . 2]" 1
684 1 52 PHE HB3 1 53 THR H . . 4.670 2.640 2.405 2.953 . 0 0 "[ . 1 . 2]" 1
685 1 52 PHE HB3 1 53 THR HA . . 4.700 4.377 4.055 4.603 . 0 0 "[ . 1 . 2]" 1
686 1 53 THR HA 1 54 VAL H . . 3.410 2.312 2.255 2.320 . 0 0 "[ . 1 . 2]" 1
687 1 53 THR HA 1 54 VAL HA . . 4.570 4.457 4.430 4.478 . 0 0 "[ . 1 . 2]" 1
688 1 53 THR HA 1 54 VAL QG . . 5.500 3.439 2.953 3.588 . 0 0 "[ . 1 . 2]" 1
689 1 53 THR HB 1 54 VAL H . . 4.760 3.469 2.643 3.935 . 0 0 "[ . 1 . 2]" 1
690 1 53 THR MG 1 54 VAL H . . 4.580 2.865 1.916 3.944 . 0 0 "[ . 1 . 2]" 1
691 1 54 VAL H 1 54 VAL QG . . 4.090 2.102 1.995 2.350 . 0 0 "[ . 1 . 2]" 1
692 1 54 VAL H 1 55 THR HA . . 5.490 4.700 4.616 4.873 . 0 0 "[ . 1 . 2]" 1
693 1 54 VAL HA 1 55 THR H . . 3.430 2.144 2.139 2.175 . 0 0 "[ . 1 . 2]" 1
694 1 54 VAL QG 1 55 THR H . . 4.240 2.649 2.187 2.823 . 0 0 "[ . 1 . 2]" 1
695 1 54 VAL QG 1 56 GLU H . . 4.890 4.156 3.717 4.721 . 0 0 "[ . 1 . 2]" 1
696 1 55 THR H 1 55 THR HB . . 3.840 2.873 2.494 3.827 . 0 0 "[ . 1 . 2]" 1
697 1 55 THR H 1 55 THR MG . . 4.250 3.533 2.484 3.861 . 0 0 "[ . 1 . 2]" 1
698 1 55 THR HA 1 56 GLU H . . 3.190 2.184 2.142 2.213 . 0 0 "[ . 1 . 2]" 1
699 1 55 THR HA 1 56 GLU HB3 . . 5.500 5.444 4.355 5.683 0.183 20 0 "[ . 1 . 2]" 1
700 1 55 THR HA 1 56 GLU QG . . 4.780 3.547 3.270 4.168 . 0 0 "[ . 1 . 2]" 1
701 1 55 THR HB 1 56 GLU H . . 4.510 3.895 3.225 4.289 . 0 0 "[ . 1 . 2]" 1
702 1 55 THR MG 1 56 GLU H . . 4.800 2.744 2.022 4.131 . 0 0 "[ . 1 . 2]" 1
703 1 55 THR MG 1 56 GLU HA . . 5.500 4.158 3.519 5.627 0.127 20 0 "[ . 1 . 2]" 1
704 1 55 THR MG 1 56 GLU QG . . 5.500 4.355 3.811 5.566 0.066 13 0 "[ . 1 . 2]" 1
705 1 56 GLU H 1 56 GLU HB3 . . 4.160 3.609 2.621 3.828 . 0 0 "[ . 1 . 2]" 1
706 1 56 GLU H 1 56 GLU QG . . 4.520 2.443 2.120 2.932 . 0 0 "[ . 1 . 2]" 1
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