NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397377 |
1sw8   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sw8
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 1555
_Distance_constraint_stats_list.Viol_count 437
_Distance_constraint_stats_list.Viol_total 357.643
_Distance_constraint_stats_list.Viol_max 0.202
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0409
_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 ALA 0.738 0.182 8 0 "[ . 1 . 2]"
1 2 ASP 0.234 0.169 16 0 "[ . 1 . 2]"
1 3 GLN 1.277 0.182 8 0 "[ . 1 . 2]"
1 4 LEU 0.646 0.079 20 0 "[ . 1 . 2]"
1 5 THR 0.721 0.143 20 0 "[ . 1 . 2]"
1 6 GLU 0.685 0.143 20 0 "[ . 1 . 2]"
1 7 GLU 0.093 0.045 20 0 "[ . 1 . 2]"
1 8 GLN 0.103 0.044 16 0 "[ . 1 . 2]"
1 9 ILE 0.111 0.061 6 0 "[ . 1 . 2]"
1 10 ALA 0.802 0.083 18 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 0.901 0.083 18 0 "[ . 1 . 2]"
1 13 LYS 0.567 0.068 4 0 "[ . 1 . 2]"
1 14 GLU 0.213 0.046 4 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.216 0.041 5 0 "[ . 1 . 2]"
1 17 SER 0.062 0.041 5 0 "[ . 1 . 2]"
1 18 LEU 1.090 0.141 17 0 "[ . 1 . 2]"
1 19 PHE 0.521 0.078 8 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 1.416 0.142 10 0 "[ . 1 . 2]"
1 22 ASP 0.771 0.068 15 0 "[ . 1 . 2]"
1 23 GLY 0.762 0.068 15 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.041 0.021 9 0 "[ . 1 . 2]"
1 26 THR 0.594 0.062 5 0 "[ . 1 . 2]"
1 27 ILE 0.227 0.050 16 0 "[ . 1 . 2]"
1 28 THR 1.348 0.109 10 0 "[ . 1 . 2]"
1 29 THR 0.127 0.048 16 0 "[ . 1 . 2]"
1 30 LYS 0.100 0.060 17 0 "[ . 1 . 2]"
1 31 GLU 0.935 0.142 10 0 "[ . 1 . 2]"
1 32 LEU 0.339 0.076 11 0 "[ . 1 . 2]"
1 33 GLY 0.227 0.080 16 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 2.160 0.202 14 0 "[ . 1 . 2]"
1 36 MET 1.736 0.107 11 0 "[ . 1 . 2]"
1 37 ARG 0.128 0.042 7 0 "[ . 1 . 2]"
1 38 SER 0.027 0.019 17 0 "[ . 1 . 2]"
1 39 LEU 1.757 0.202 14 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 1.126 0.156 9 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.151 0.027 6 0 "[ . 1 . 2]"
1 44 THR 0.027 0.015 6 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.178 0.027 6 0 "[ . 1 . 2]"
1 49 GLN 0.924 0.077 2 0 "[ . 1 . 2]"
1 50 ASP 0.205 0.049 12 0 "[ . 1 . 2]"
1 51 MET 0.645 0.077 2 0 "[ . 1 . 2]"
1 52 ILE 0.686 0.092 14 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.725 0.092 14 0 "[ . 1 . 2]"
1 55 VAL 0.755 0.086 20 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.868 0.086 20 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PHE 1.045 0.068 4 0 "[ . 1 . 2]"
1 66 PRO 0.391 0.041 18 0 "[ . 1 . 2]"
1 67 GLU 0.391 0.041 18 0 "[ . 1 . 2]"
1 68 PHE 1.569 0.107 11 0 "[ . 1 . 2]"
1 69 LEU 0.165 0.050 2 0 "[ . 1 . 2]"
1 70 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 1.591 0.105 15 0 "[ . 1 . 2]"
1 75 LYS 1.637 0.105 15 0 "[ . 1 . 2]"
1 76 MET 0.046 0.032 1 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 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 ALA H1 1 2 ASP H . . 4.800 2.923 1.856 4.572 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA H1 1 3 GLN HA . . 6.500 6.061 5.090 6.682 0.182 8 0 "[ . 1 . 2]" 1
3 1 1 ALA H1 1 3 GLN QB . . 7.380 5.393 3.209 6.634 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA H1 1 6 GLU H . . 6.500 5.195 2.363 6.563 0.063 20 0 "[ . 1 . 2]" 1
5 1 1 ALA HA 1 2 ASP QB . . 6.500 4.504 3.791 5.260 . 0 0 "[ . 1 . 2]" 1
6 1 1 ALA HA 1 3 GLN H . . 4.800 4.132 2.848 4.939 0.139 20 0 "[ . 1 . 2]" 1
7 1 1 ALA HA 1 3 GLN QG . . 7.500 5.796 4.052 6.762 . 0 0 "[ . 1 . 2]" 1
8 1 1 ALA HA 1 4 LEU H . . 6.500 5.053 3.258 6.579 0.079 20 0 "[ . 1 . 2]" 1
9 1 1 ALA MB 1 3 GLN H . . 7.500 3.366 2.227 4.608 . 0 0 "[ . 1 . 2]" 1
10 1 1 ALA MB 1 4 LEU H . . 5.600 3.838 2.136 4.714 . 0 0 "[ . 1 . 2]" 1
11 1 1 ALA MB 1 4 LEU HA . . 7.500 5.374 2.228 6.351 . 0 0 "[ . 1 . 2]" 1
12 1 1 ALA MB 1 4 LEU QD . . 10.070 4.610 2.100 6.187 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASP H 1 3 GLN H . . 3.400 2.729 1.689 3.569 0.169 16 0 "[ . 1 . 2]" 1
14 1 2 ASP H 1 3 GLN HA . . 6.500 4.968 3.621 5.542 . 0 0 "[ . 1 . 2]" 1
15 1 2 ASP H 1 3 GLN QB . . 7.380 4.668 3.654 5.760 . 0 0 "[ . 1 . 2]" 1
16 1 2 ASP H 1 3 GLN QG . . 6.300 4.819 2.701 5.650 . 0 0 "[ . 1 . 2]" 1
17 1 2 ASP H 1 4 LEU H . . 4.800 4.182 3.283 4.809 0.009 19 0 "[ . 1 . 2]" 1
18 1 2 ASP H 1 4 LEU QD . . 9.070 5.829 3.153 6.643 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASP HA 1 3 GLN QB . . 6.280 4.946 4.149 5.500 . 0 0 "[ . 1 . 2]" 1
20 1 2 ASP QB 1 3 GLN HA . . 6.800 4.224 3.657 5.004 . 0 0 "[ . 1 . 2]" 1
21 1 2 ASP QB 1 3 GLN QG . . 8.500 3.936 2.632 5.199 . 0 0 "[ . 1 . 2]" 1
22 1 2 ASP QB 1 4 LEU H . . 7.500 4.717 3.252 5.688 . 0 0 "[ . 1 . 2]" 1
23 1 3 GLN H 1 3 GLN HB2 . . 4.000 2.963 2.064 4.075 0.075 9 0 "[ . 1 . 2]" 1
24 1 3 GLN H 1 3 GLN QB . . 3.750 2.714 2.038 3.448 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLN H 1 3 GLN HB3 . . 4.000 3.473 2.972 4.109 0.109 20 0 "[ . 1 . 2]" 1
26 1 3 GLN H 1 3 GLN QG . . 4.600 3.124 2.050 4.107 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLN H 1 4 LEU H . . 3.800 2.223 1.823 2.687 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLN H 1 4 LEU HA . . 6.500 4.411 3.809 5.192 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLN H 1 4 LEU QB . . 5.380 4.427 3.078 4.877 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLN H 1 4 LEU QD . . 6.970 4.744 3.662 5.230 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLN H 1 5 THR H . . 6.500 3.723 2.723 4.538 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLN HA 1 4 LEU H . . 3.600 3.408 2.779 3.641 0.041 3 0 "[ . 1 . 2]" 1
33 1 3 GLN HA 1 4 LEU HA . . 5.600 4.708 4.323 4.988 . 0 0 "[ . 1 . 2]" 1
34 1 3 GLN HA 1 5 THR H . . 6.500 4.849 3.663 5.676 . 0 0 "[ . 1 . 2]" 1
35 1 3 GLN QB 1 4 LEU H . . 4.370 3.113 1.943 4.121 . 0 0 "[ . 1 . 2]" 1
36 1 3 GLN QB 1 4 LEU QD . . 9.950 4.035 1.746 5.820 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLN QB 1 5 THR H . . 7.380 3.987 2.935 5.530 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLN QB 1 5 THR MG . . 7.180 4.990 3.362 5.388 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLN QB 1 6 GLU H . . 7.380 4.977 3.809 6.017 . 0 0 "[ . 1 . 2]" 1
40 1 3 GLN HB2 1 4 LEU H . . 4.700 3.493 1.976 4.574 . 0 0 "[ . 1 . 2]" 1
41 1 3 GLN HB3 1 4 LEU H . . 4.700 3.636 2.345 4.688 . 0 0 "[ . 1 . 2]" 1
42 1 3 GLN QG 1 4 LEU H . . 7.500 3.919 1.852 4.672 . 0 0 "[ . 1 . 2]" 1
43 1 3 GLN QG 1 4 LEU QD . . 10.070 4.822 2.070 6.133 . 0 0 "[ . 1 . 2]" 1
44 1 4 LEU H 1 4 LEU QD . . 4.970 3.291 2.043 3.856 . 0 0 "[ . 1 . 2]" 1
45 1 4 LEU H 1 5 THR H . . 5.600 2.269 1.777 3.716 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU H 1 5 THR HA . . 6.500 4.647 3.889 5.700 . 0 0 "[ . 1 . 2]" 1
47 1 4 LEU H 1 5 THR MG . . 7.500 4.488 2.831 6.252 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU HA 1 5 THR H . . 3.600 3.504 2.932 3.640 0.040 6 0 "[ . 1 . 2]" 1
49 1 4 LEU HA 1 6 GLU H . . 4.300 3.780 3.375 4.358 0.058 5 0 "[ . 1 . 2]" 1
50 1 4 LEU HA 1 7 GLU H . . 6.500 3.381 3.035 3.704 . 0 0 "[ . 1 . 2]" 1
51 1 4 LEU QB 1 4 LEU HG . . 2.680 2.305 2.151 2.526 . 0 0 "[ . 1 . 2]" 1
52 1 4 LEU QB 1 5 THR H . . 4.470 3.184 2.265 4.109 . 0 0 "[ . 1 . 2]" 1
53 1 4 LEU QB 1 5 THR MG . . 8.380 5.273 3.780 6.220 . 0 0 "[ . 1 . 2]" 1
54 1 4 LEU QB 1 6 GLU H . . 7.380 4.751 4.294 5.546 . 0 0 "[ . 1 . 2]" 1
55 1 4 LEU QB 1 7 GLU H . . 7.380 4.813 4.206 5.317 . 0 0 "[ . 1 . 2]" 1
56 1 4 LEU QB 1 8 GLN QG . . 8.380 4.729 3.015 5.949 . 0 0 "[ . 1 . 2]" 1
57 1 4 LEU HB2 1 5 THR H . . 4.700 4.161 3.470 4.662 . 0 0 "[ . 1 . 2]" 1
58 1 4 LEU HB3 1 5 THR H . . 4.700 3.373 2.285 4.658 . 0 0 "[ . 1 . 2]" 1
59 1 4 LEU QD 1 5 THR H . . 6.070 2.812 1.746 4.191 . 0 0 "[ . 1 . 2]" 1
60 1 4 LEU QD 1 5 THR HA . . 9.070 2.806 2.049 3.789 . 0 0 "[ . 1 . 2]" 1
61 1 4 LEU QD 1 6 GLU QB . . 10.070 5.054 4.387 5.848 . 0 0 "[ . 1 . 2]" 1
62 1 4 LEU QD 1 6 GLU QG . . 10.070 6.097 4.780 6.648 . 0 0 "[ . 1 . 2]" 1
63 1 4 LEU QD 1 8 GLN H . . 9.070 3.033 1.887 4.235 . 0 0 "[ . 1 . 2]" 1
64 1 4 LEU QD 1 8 GLN QB . . 8.950 2.169 1.736 3.101 . 0 0 "[ . 1 . 2]" 1
65 1 4 LEU QD 1 8 GLN QG . . 10.070 2.377 1.655 3.785 . 0 0 "[ . 1 . 2]" 1
66 1 4 LEU QD 1 12 PHE QB . . 10.070 6.073 5.545 6.525 . 0 0 "[ . 1 . 2]" 1
67 1 4 LEU QD 1 12 PHE HE1 . . 9.070 5.627 5.049 6.642 . 0 0 "[ . 1 . 2]" 1
68 1 4 LEU QD 1 69 LEU QD . . 11.640 3.715 2.879 5.093 . 0 0 "[ . 1 . 2]" 1
69 1 4 LEU QD 1 73 ALA HA . . 7.570 3.470 2.811 4.446 . 0 0 "[ . 1 . 2]" 1
70 1 4 LEU QD 1 73 ALA MB . . 8.270 2.954 2.455 4.075 . 0 0 "[ . 1 . 2]" 1
71 1 4 LEU QD 1 76 MET QB . . 9.030 4.525 3.318 5.439 . 0 0 "[ . 1 . 2]" 1
72 1 4 LEU QD 1 76 MET QG . . 9.950 4.292 2.915 5.646 . 0 0 "[ . 1 . 2]" 1
73 1 4 LEU MD1 1 76 MET HB2 . . 10.640 5.845 4.434 7.421 . 0 0 "[ . 1 . 2]" 1
74 1 4 LEU MD1 1 76 MET HB3 . . 10.640 6.183 5.142 7.419 . 0 0 "[ . 1 . 2]" 1
75 1 4 LEU MD2 1 76 MET HB2 . . 10.640 5.527 3.706 6.691 . 0 0 "[ . 1 . 2]" 1
76 1 4 LEU MD2 1 76 MET HB3 . . 10.640 5.853 4.087 7.372 . 0 0 "[ . 1 . 2]" 1
77 1 4 LEU HG 1 7 GLU QG . . 7.380 4.786 3.813 5.819 . 0 0 "[ . 1 . 2]" 1
78 1 4 LEU HG 1 73 ALA HA . . 6.300 4.980 4.464 5.986 . 0 0 "[ . 1 . 2]" 1
79 1 4 LEU HG 1 73 ALA MB . . 5.300 4.209 4.120 4.352 . 0 0 "[ . 1 . 2]" 1
80 1 5 THR H 1 5 THR HB . . 4.000 2.415 1.964 3.512 . 0 0 "[ . 1 . 2]" 1
81 1 5 THR H 1 6 GLU H . . 5.600 2.811 2.505 3.162 . 0 0 "[ . 1 . 2]" 1
82 1 5 THR H 1 7 GLU H . . 6.500 4.706 4.097 5.017 . 0 0 "[ . 1 . 2]" 1
83 1 5 THR H 1 7 GLU QG . . 7.380 4.687 4.236 5.210 . 0 0 "[ . 1 . 2]" 1
84 1 5 THR H 1 8 GLN H . . 4.700 4.617 4.455 4.744 0.044 16 0 "[ . 1 . 2]" 1
85 1 5 THR H 1 8 GLN QB . . 5.580 4.196 3.730 4.912 . 0 0 "[ . 1 . 2]" 1
86 1 5 THR H 1 8 GLN QG . . 6.300 5.219 3.708 5.653 . 0 0 "[ . 1 . 2]" 1
87 1 5 THR H 1 9 ILE H . . 5.900 5.449 5.297 5.572 . 0 0 "[ . 1 . 2]" 1
88 1 5 THR H 1 9 ILE QG . . 6.380 5.388 5.052 5.740 . 0 0 "[ . 1 . 2]" 1
89 1 5 THR HA 1 5 THR MG . . 3.600 2.728 2.193 3.246 . 0 0 "[ . 1 . 2]" 1
90 1 5 THR HA 1 6 GLU HA . . 6.500 4.755 4.705 4.843 . 0 0 "[ . 1 . 2]" 1
91 1 5 THR HA 1 6 GLU QB . . 7.500 5.178 5.097 5.490 . 0 0 "[ . 1 . 2]" 1
92 1 5 THR HA 1 7 GLU H . . 4.900 4.718 4.400 4.906 0.006 1 0 "[ . 1 . 2]" 1
93 1 5 THR HA 1 8 GLN H . . 5.100 3.339 3.092 3.958 . 0 0 "[ . 1 . 2]" 1
94 1 5 THR HA 1 8 GLN QG . . 6.500 3.495 1.976 4.189 . 0 0 "[ . 1 . 2]" 1
95 1 5 THR HA 1 9 ILE H . . 6.500 3.177 2.934 3.525 . 0 0 "[ . 1 . 2]" 1
96 1 5 THR HA 1 9 ILE MD . . 7.500 5.043 4.162 6.002 . 0 0 "[ . 1 . 2]" 1
97 1 5 THR HB 1 6 GLU H . . 3.900 3.376 2.299 4.043 0.143 20 0 "[ . 1 . 2]" 1
98 1 5 THR HB 1 6 GLU QB . . 7.500 4.836 3.881 5.610 . 0 0 "[ . 1 . 2]" 1
99 1 5 THR HB 1 7 GLU H . . 6.500 5.838 4.973 6.366 . 0 0 "[ . 1 . 2]" 1
100 1 5 THR HB 1 7 GLU QG . . 7.080 6.123 5.792 6.429 . 0 0 "[ . 1 . 2]" 1
101 1 5 THR HB 1 8 GLN H . . 6.500 5.565 5.208 5.895 . 0 0 "[ . 1 . 2]" 1
102 1 5 THR HB 1 9 ILE QG . . 6.780 4.389 2.705 5.466 . 0 0 "[ . 1 . 2]" 1
103 1 5 THR MG 1 6 GLU H . . 7.500 3.212 2.094 4.374 . 0 0 "[ . 1 . 2]" 1
104 1 5 THR MG 1 7 GLU H . . 7.500 5.182 4.482 5.917 . 0 0 "[ . 1 . 2]" 1
105 1 5 THR MG 1 8 GLN H . . 7.500 4.821 4.533 5.376 . 0 0 "[ . 1 . 2]" 1
106 1 5 THR MG 1 8 GLN QB . . 7.480 4.038 2.907 5.304 . 0 0 "[ . 1 . 2]" 1
107 1 5 THR MG 1 8 GLN QG . . 7.700 4.978 3.535 5.791 . 0 0 "[ . 1 . 2]" 1
108 1 5 THR MG 1 9 ILE H . . 7.500 3.886 3.224 5.159 . 0 0 "[ . 1 . 2]" 1
109 1 5 THR MG 1 9 ILE MD . . 7.400 3.731 1.952 5.000 . 0 0 "[ . 1 . 2]" 1
110 1 5 THR MG 1 9 ILE QG . . 6.380 2.677 1.778 3.956 . 0 0 "[ . 1 . 2]" 1
111 1 6 GLU H 1 6 GLU QG . . 5.100 3.827 1.989 4.013 . 0 0 "[ . 1 . 2]" 1
112 1 6 GLU H 1 7 GLU H . . 4.200 2.848 2.638 3.049 . 0 0 "[ . 1 . 2]" 1
113 1 6 GLU H 1 7 GLU HA . . 6.300 5.314 5.171 5.454 . 0 0 "[ . 1 . 2]" 1
114 1 6 GLU H 1 7 GLU QB . . 7.500 5.132 4.817 5.378 . 0 0 "[ . 1 . 2]" 1
115 1 6 GLU H 1 7 GLU HG2 . . 4.700 4.333 3.943 4.699 . 0 0 "[ . 1 . 2]" 1
116 1 6 GLU H 1 7 GLU HG3 . . 4.700 4.519 4.087 4.745 0.045 20 0 "[ . 1 . 2]" 1
117 1 6 GLU H 1 8 GLN H . . 6.500 3.872 3.595 4.495 . 0 0 "[ . 1 . 2]" 1
118 1 6 GLU H 1 9 ILE H . . 6.400 4.549 4.358 4.633 . 0 0 "[ . 1 . 2]" 1
119 1 6 GLU H 1 9 ILE MD . . 7.500 5.799 4.872 6.304 . 0 0 "[ . 1 . 2]" 1
120 1 6 GLU H 1 9 ILE QG . . 7.380 4.434 4.052 4.946 . 0 0 "[ . 1 . 2]" 1
121 1 6 GLU H 1 9 ILE MG . . 7.500 5.411 4.283 6.254 . 0 0 "[ . 1 . 2]" 1
122 1 6 GLU HA 1 9 ILE H . . 4.600 3.888 3.608 4.099 . 0 0 "[ . 1 . 2]" 1
123 1 6 GLU HA 1 9 ILE HB . . 6.500 3.847 2.350 5.402 . 0 0 "[ . 1 . 2]" 1
124 1 6 GLU HA 1 9 ILE MD . . 7.500 4.304 3.170 5.450 . 0 0 "[ . 1 . 2]" 1
125 1 6 GLU HA 1 9 ILE HG12 . . 6.200 3.766 2.110 5.727 . 0 0 "[ . 1 . 2]" 1
126 1 6 GLU HA 1 9 ILE HG13 . . 6.200 3.511 2.683 4.346 . 0 0 "[ . 1 . 2]" 1
127 1 6 GLU HA 1 9 ILE MG . . 6.000 3.975 3.377 4.447 . 0 0 "[ . 1 . 2]" 1
128 1 6 GLU HA 1 10 ALA H . . 4.900 4.409 4.065 4.743 . 0 0 "[ . 1 . 2]" 1
129 1 6 GLU QB 1 7 GLU HA . . 5.500 4.099 3.766 4.243 . 0 0 "[ . 1 . 2]" 1
130 1 6 GLU QB 1 7 GLU QG . . 5.680 3.515 2.735 4.428 . 0 0 "[ . 1 . 2]" 1
131 1 6 GLU QG 1 7 GLU HA . . 7.500 3.674 3.291 4.528 . 0 0 "[ . 1 . 2]" 1
132 1 6 GLU QG 1 9 ILE MG . . 8.500 5.093 4.176 6.335 . 0 0 "[ . 1 . 2]" 1
133 1 6 GLU QG 1 10 ALA H . . 5.800 4.825 4.126 5.304 . 0 0 "[ . 1 . 2]" 1
134 1 6 GLU QG 1 10 ALA MB . . 8.500 4.038 3.492 4.698 . 0 0 "[ . 1 . 2]" 1
135 1 7 GLU H 1 8 GLN H . . 4.000 2.590 2.499 2.891 . 0 0 "[ . 1 . 2]" 1
136 1 7 GLU H 1 8 GLN HA . . 5.800 5.105 5.007 5.364 . 0 0 "[ . 1 . 2]" 1
137 1 7 GLU H 1 9 ILE H . . 6.500 4.462 3.878 4.655 . 0 0 "[ . 1 . 2]" 1
138 1 7 GLU H 1 9 ILE QG . . 7.380 5.157 4.402 5.919 . 0 0 "[ . 1 . 2]" 1
139 1 7 GLU H 1 10 ALA H . . 5.700 4.766 4.402 5.023 . 0 0 "[ . 1 . 2]" 1
140 1 7 GLU HA 1 8 GLN HA . . 6.500 4.754 4.728 4.813 . 0 0 "[ . 1 . 2]" 1
141 1 7 GLU HA 1 9 ILE H . . 5.000 4.848 4.284 5.032 0.032 4 0 "[ . 1 . 2]" 1
142 1 7 GLU HA 1 9 ILE MG . . 7.500 6.032 5.550 6.240 . 0 0 "[ . 1 . 2]" 1
143 1 7 GLU HA 1 10 ALA H . . 5.000 3.507 3.126 3.809 . 0 0 "[ . 1 . 2]" 1
144 1 7 GLU HA 1 10 ALA MB . . 7.500 2.460 1.974 2.967 . 0 0 "[ . 1 . 2]" 1
145 1 7 GLU HA 1 11 GLU QG . . 7.380 5.759 5.075 6.468 . 0 0 "[ . 1 . 2]" 1
146 1 7 GLU QB 1 8 GLN HA . . 6.000 4.187 3.646 4.376 . 0 0 "[ . 1 . 2]" 1
147 1 7 GLU QB 1 8 GLN QB . . 7.380 4.693 3.715 5.095 . 0 0 "[ . 1 . 2]" 1
148 1 7 GLU QB 1 10 ALA MB . . 6.300 3.754 3.412 4.191 . 0 0 "[ . 1 . 2]" 1
149 1 7 GLU QG 1 9 ILE H . . 6.380 4.761 4.477 5.683 . 0 0 "[ . 1 . 2]" 1
150 1 7 GLU HG2 1 10 ALA MB . . 7.500 5.439 4.313 6.070 . 0 0 "[ . 1 . 2]" 1
151 1 7 GLU HG3 1 10 ALA MB . . 7.500 5.123 4.679 6.035 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLN H 1 9 ILE H . . 4.200 2.773 2.655 2.907 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLN H 1 9 ILE HA . . 6.200 5.279 5.184 5.404 . 0 0 "[ . 1 . 2]" 1
154 1 8 GLN H 1 9 ILE HG12 . . 6.500 4.933 4.556 6.191 . 0 0 "[ . 1 . 2]" 1
155 1 8 GLN H 1 9 ILE QG . . 5.650 4.268 3.765 4.686 . 0 0 "[ . 1 . 2]" 1
156 1 8 GLN H 1 9 ILE HG13 . . 6.500 5.034 3.884 6.058 . 0 0 "[ . 1 . 2]" 1
157 1 8 GLN H 1 9 ILE MG . . 7.500 5.142 4.106 5.978 . 0 0 "[ . 1 . 2]" 1
158 1 8 GLN H 1 10 ALA H . . 6.500 3.841 3.577 4.181 . 0 0 "[ . 1 . 2]" 1
159 1 8 GLN H 1 10 ALA MB . . 7.500 4.371 4.044 4.792 . 0 0 "[ . 1 . 2]" 1
160 1 8 GLN HA 1 8 GLN QG . . 3.400 2.668 2.246 3.333 . 0 0 "[ . 1 . 2]" 1
161 1 8 GLN HA 1 10 ALA H . . 6.500 4.034 3.699 4.344 . 0 0 "[ . 1 . 2]" 1
162 1 8 GLN HA 1 11 GLU H . . 4.400 3.454 3.109 3.704 . 0 0 "[ . 1 . 2]" 1
163 1 8 GLN HA 1 11 GLU QB . . 7.380 3.227 2.463 3.574 . 0 0 "[ . 1 . 2]" 1
164 1 8 GLN HA 1 12 PHE H . . 6.100 3.818 3.556 4.093 . 0 0 "[ . 1 . 2]" 1
165 1 8 GLN QB 1 9 ILE QG . . 6.650 3.702 3.106 4.228 . 0 0 "[ . 1 . 2]" 1
166 1 8 GLN QB 1 10 ALA H . . 5.380 4.429 4.142 4.890 . 0 0 "[ . 1 . 2]" 1
167 1 8 GLN QG 1 9 ILE H . . 5.600 3.804 1.845 4.401 . 0 0 "[ . 1 . 2]" 1
168 1 8 GLN QG 1 11 GLU QB . . 8.380 4.730 3.704 5.402 . 0 0 "[ . 1 . 2]" 1
169 1 9 ILE H 1 9 ILE HB . . 3.600 2.794 2.194 3.534 . 0 0 "[ . 1 . 2]" 1
170 1 9 ILE H 1 9 ILE HG12 . . 3.500 2.691 2.100 3.561 0.061 6 0 "[ . 1 . 2]" 1
171 1 9 ILE H 1 9 ILE QG . . 3.290 2.264 2.080 2.473 . 0 0 "[ . 1 . 2]" 1
172 1 9 ILE H 1 9 ILE HG13 . . 3.500 2.918 2.210 3.505 0.005 7 0 "[ . 1 . 2]" 1
173 1 9 ILE H 1 10 ALA H . . 3.900 2.772 2.489 2.963 . 0 0 "[ . 1 . 2]" 1
174 1 9 ILE H 1 10 ALA MB . . 7.500 4.295 4.121 4.475 . 0 0 "[ . 1 . 2]" 1
175 1 9 ILE H 1 11 GLU H . . 6.100 4.654 4.179 4.867 . 0 0 "[ . 1 . 2]" 1
176 1 9 ILE H 1 12 PHE H . . 5.000 4.631 4.459 4.774 . 0 0 "[ . 1 . 2]" 1
177 1 9 ILE HA 1 9 ILE MD . . 4.700 2.901 1.988 3.827 . 0 0 "[ . 1 . 2]" 1
178 1 9 ILE HA 1 9 ILE QG . . 3.940 2.896 2.173 3.406 . 0 0 "[ . 1 . 2]" 1
179 1 9 ILE HA 1 9 ILE MG . . 3.400 2.490 2.370 2.622 . 0 0 "[ . 1 . 2]" 1
180 1 9 ILE HA 1 11 GLU H . . 6.500 4.633 4.252 4.836 . 0 0 "[ . 1 . 2]" 1
181 1 9 ILE HA 1 12 PHE H . . 4.600 3.393 3.195 3.590 . 0 0 "[ . 1 . 2]" 1
182 1 9 ILE HA 1 12 PHE QB . . 5.800 1.998 1.893 2.329 . 0 0 "[ . 1 . 2]" 1
183 1 9 ILE HA 1 12 PHE HD1 . . 5.700 4.642 4.300 5.645 . 0 0 "[ . 1 . 2]" 1
184 1 9 ILE HA 1 13 LYS H . . 5.800 3.654 3.289 3.999 . 0 0 "[ . 1 . 2]" 1
185 1 9 ILE HA 1 69 LEU QD . . 8.470 4.261 2.877 5.004 . 0 0 "[ . 1 . 2]" 1
186 1 9 ILE HB 1 10 ALA H . . 6.500 3.395 2.741 4.271 . 0 0 "[ . 1 . 2]" 1
187 1 9 ILE MD 1 10 ALA H . . 7.500 4.225 2.850 4.909 . 0 0 "[ . 1 . 2]" 1
188 1 9 ILE MD 1 13 LYS H . . 6.800 4.803 4.212 5.706 . 0 0 "[ . 1 . 2]" 1
189 1 9 ILE MD 1 13 LYS QE . . 8.380 4.100 2.749 5.166 . 0 0 "[ . 1 . 2]" 1
190 1 9 ILE MD 1 69 LEU QD . . 9.270 3.498 1.927 5.579 . 0 0 "[ . 1 . 2]" 1
191 1 9 ILE QG 1 10 ALA H . . 4.780 3.489 2.107 4.341 . 0 0 "[ . 1 . 2]" 1
192 1 9 ILE QG 1 12 PHE QB . . 8.380 4.251 3.378 4.797 . 0 0 "[ . 1 . 2]" 1
193 1 9 ILE QG 1 13 LYS QE . . 8.250 5.619 4.661 6.393 . 0 0 "[ . 1 . 2]" 1
194 1 9 ILE QG 1 69 LEU QD . . 9.350 3.656 2.570 5.014 . 0 0 "[ . 1 . 2]" 1
195 1 9 ILE MG 1 10 ALA H . . 5.100 3.610 3.029 4.054 . 0 0 "[ . 1 . 2]" 1
196 1 9 ILE MG 1 10 ALA MB . . 8.500 4.455 3.739 5.104 . 0 0 "[ . 1 . 2]" 1
197 1 9 ILE MG 1 12 PHE H . . 7.500 4.890 4.583 5.196 . 0 0 "[ . 1 . 2]" 1
198 1 9 ILE MG 1 12 PHE QB . . 8.500 3.563 3.327 3.819 . 0 0 "[ . 1 . 2]" 1
199 1 9 ILE MG 1 13 LYS QE . . 7.880 4.033 2.317 5.776 . 0 0 "[ . 1 . 2]" 1
200 1 9 ILE MG 1 69 LEU QD . . 8.570 3.679 1.650 5.178 . 0 0 "[ . 1 . 2]" 1
201 1 10 ALA H 1 10 ALA MB . . 3.400 2.056 1.940 2.172 . 0 0 "[ . 1 . 2]" 1
202 1 10 ALA H 1 11 GLU H . . 3.700 2.856 2.578 3.016 . 0 0 "[ . 1 . 2]" 1
203 1 10 ALA H 1 12 PHE H . . 4.400 4.047 3.818 4.285 . 0 0 "[ . 1 . 2]" 1
204 1 10 ALA H 1 13 LYS H . . 5.300 4.606 4.476 4.695 . 0 0 "[ . 1 . 2]" 1
205 1 10 ALA HA 1 11 GLU QG . . 7.380 5.440 5.032 6.162 . 0 0 "[ . 1 . 2]" 1
206 1 10 ALA HA 1 12 PHE H . . 4.800 4.833 4.703 4.883 0.083 18 0 "[ . 1 . 2]" 1
207 1 10 ALA HA 1 12 PHE QB . . 7.500 5.143 5.080 5.229 . 0 0 "[ . 1 . 2]" 1
208 1 10 ALA HA 1 13 LYS H . . 6.500 3.864 3.610 3.975 . 0 0 "[ . 1 . 2]" 1
209 1 10 ALA HA 1 13 LYS QB . . 5.100 3.090 2.741 3.299 . 0 0 "[ . 1 . 2]" 1
210 1 10 ALA HA 1 13 LYS HD2 . . 6.500 4.950 3.635 6.443 . 0 0 "[ . 1 . 2]" 1
211 1 10 ALA HA 1 13 LYS QD . . 6.190 4.122 3.309 5.090 . 0 0 "[ . 1 . 2]" 1
212 1 10 ALA HA 1 13 LYS HD3 . . 6.500 4.927 3.392 5.749 . 0 0 "[ . 1 . 2]" 1
213 1 10 ALA HA 1 13 LYS HG2 . . 6.500 5.377 4.643 6.113 . 0 0 "[ . 1 . 2]" 1
214 1 10 ALA HA 1 13 LYS QG . . 6.190 4.933 4.460 5.292 . 0 0 "[ . 1 . 2]" 1
215 1 10 ALA HA 1 13 LYS HG3 . . 6.500 5.866 5.302 6.288 . 0 0 "[ . 1 . 2]" 1
216 1 10 ALA MB 1 11 GLU H . . 3.400 2.365 2.158 2.621 . 0 0 "[ . 1 . 2]" 1
217 1 10 ALA MB 1 11 GLU HA . . 7.500 3.743 3.669 3.830 . 0 0 "[ . 1 . 2]" 1
218 1 10 ALA MB 1 11 GLU QB . . 7.180 3.828 3.603 4.146 . 0 0 "[ . 1 . 2]" 1
219 1 10 ALA MB 1 11 GLU QG . . 7.980 3.455 3.020 4.558 . 0 0 "[ . 1 . 2]" 1
220 1 10 ALA MB 1 12 PHE H . . 5.600 4.418 4.263 4.665 . 0 0 "[ . 1 . 2]" 1
221 1 10 ALA MB 1 13 LYS H . . 5.600 4.708 4.593 4.806 . 0 0 "[ . 1 . 2]" 1
222 1 11 GLU H 1 12 PHE H . . 3.800 2.597 2.555 2.658 . 0 0 "[ . 1 . 2]" 1
223 1 11 GLU H 1 12 PHE HA . . 5.500 5.137 5.093 5.193 . 0 0 "[ . 1 . 2]" 1
224 1 11 GLU H 1 12 PHE QB . . 7.500 4.125 4.027 4.430 . 0 0 "[ . 1 . 2]" 1
225 1 11 GLU H 1 12 PHE HD1 . . 6.500 4.836 3.871 6.149 . 0 0 "[ . 1 . 2]" 1
226 1 11 GLU H 1 13 LYS H . . 4.400 4.035 3.851 4.192 . 0 0 "[ . 1 . 2]" 1
227 1 11 GLU H 1 14 GLU QB . . 7.380 5.813 5.442 6.538 . 0 0 "[ . 1 . 2]" 1
228 1 11 GLU HA 1 11 GLU HG2 . . 2.900 2.507 2.094 2.890 . 0 0 "[ . 1 . 2]" 1
229 1 11 GLU HA 1 11 GLU QG . . 2.610 2.209 2.048 2.375 . 0 0 "[ . 1 . 2]" 1
230 1 11 GLU HA 1 11 GLU HG3 . . 2.900 2.541 2.215 2.898 . 0 0 "[ . 1 . 2]" 1
231 1 11 GLU HA 1 14 GLU QB . . 7.380 3.494 3.020 4.466 . 0 0 "[ . 1 . 2]" 1
232 1 11 GLU HA 1 15 ALA H . . 6.500 3.994 3.703 4.582 . 0 0 "[ . 1 . 2]" 1
233 1 11 GLU QG 1 12 PHE H . . 6.280 4.378 4.183 4.461 . 0 0 "[ . 1 . 2]" 1
234 1 12 PHE H 1 12 PHE HD1 . . 3.800 2.719 1.942 3.717 . 0 0 "[ . 1 . 2]" 1
235 1 12 PHE H 1 12 PHE HE1 . . 5.400 5.063 4.371 5.426 0.026 18 0 "[ . 1 . 2]" 1
236 1 12 PHE H 1 13 LYS H . . 4.100 2.823 2.719 2.896 . 0 0 "[ . 1 . 2]" 1
237 1 12 PHE H 1 13 LYS HA . . 5.400 5.311 5.220 5.378 . 0 0 "[ . 1 . 2]" 1
238 1 12 PHE H 1 13 LYS QB . . 5.100 4.464 4.368 4.549 . 0 0 "[ . 1 . 2]" 1
239 1 12 PHE H 1 14 GLU QB . . 7.380 5.738 5.426 6.605 . 0 0 "[ . 1 . 2]" 1
240 1 12 PHE H 1 15 ALA H . . 5.900 4.558 4.486 4.742 . 0 0 "[ . 1 . 2]" 1
241 1 12 PHE H 1 16 PHE H . . 6.500 5.557 5.228 5.881 . 0 0 "[ . 1 . 2]" 1
242 1 12 PHE HA 1 15 ALA H . . 4.500 3.280 2.976 3.613 . 0 0 "[ . 1 . 2]" 1
243 1 12 PHE HA 1 15 ALA MB . . 3.400 1.973 1.921 2.087 . 0 0 "[ . 1 . 2]" 1
244 1 12 PHE HA 1 16 PHE H . . 6.300 3.365 2.930 3.767 . 0 0 "[ . 1 . 2]" 1
245 1 12 PHE QB 1 13 LYS QB . . 8.500 3.971 3.874 4.120 . 0 0 "[ . 1 . 2]" 1
246 1 12 PHE QB 1 15 ALA MB . . 8.500 3.863 3.381 4.036 . 0 0 "[ . 1 . 2]" 1
247 1 12 PHE QB 1 16 PHE H . . 7.200 4.253 3.800 4.503 . 0 0 "[ . 1 . 2]" 1
248 1 12 PHE QB 1 16 PHE QB . . 8.380 4.078 3.480 4.350 . 0 0 "[ . 1 . 2]" 1
249 1 12 PHE QB 1 65 PHE HZ . . 7.500 4.189 2.831 5.218 . 0 0 "[ . 1 . 2]" 1
250 1 12 PHE QB 1 68 PHE HE2 . . 7.500 6.655 6.409 6.790 . 0 0 "[ . 1 . 2]" 1
251 1 12 PHE QB 1 69 LEU QD . . 8.970 4.325 3.321 5.000 . 0 0 "[ . 1 . 2]" 1
252 1 12 PHE HD1 1 15 ALA H . . 6.500 5.616 4.816 6.131 . 0 0 "[ . 1 . 2]" 1
253 1 12 PHE HD1 1 15 ALA MB . . 5.100 3.753 2.911 4.134 . 0 0 "[ . 1 . 2]" 1
254 1 12 PHE HD1 1 16 PHE H . . 6.500 5.905 4.304 6.406 . 0 0 "[ . 1 . 2]" 1
255 1 12 PHE HD1 1 69 LEU HA . . 6.500 5.424 4.471 6.550 0.050 2 0 "[ . 1 . 2]" 1
256 1 13 LYS H 1 13 LYS QG . . 4.980 3.885 3.579 4.011 . 0 0 "[ . 1 . 2]" 1
257 1 13 LYS H 1 14 GLU H . . 4.100 2.935 2.723 3.113 . 0 0 "[ . 1 . 2]" 1
258 1 13 LYS H 1 14 GLU QB . . 6.280 4.694 4.425 5.135 . 0 0 "[ . 1 . 2]" 1
259 1 13 LYS H 1 15 ALA H . . 6.100 3.903 3.624 4.461 . 0 0 "[ . 1 . 2]" 1
260 1 13 LYS H 1 16 PHE H . . 5.900 4.528 4.347 4.678 . 0 0 "[ . 1 . 2]" 1
261 1 13 LYS H 1 65 PHE HE1 . . 4.700 4.322 3.779 4.768 0.068 4 0 "[ . 1 . 2]" 1
262 1 13 LYS H 1 65 PHE HZ . . 4.900 4.477 3.580 4.927 0.027 16 0 "[ . 1 . 2]" 1
263 1 13 LYS HA 1 13 LYS QD . . 5.080 3.247 2.323 4.101 . 0 0 "[ . 1 . 2]" 1
264 1 13 LYS HA 1 15 ALA H . . 5.400 4.580 4.297 5.199 . 0 0 "[ . 1 . 2]" 1
265 1 13 LYS HA 1 16 PHE HB2 . . 6.300 3.407 3.031 4.036 . 0 0 "[ . 1 . 2]" 1
266 1 13 LYS HA 1 16 PHE HB3 . . 6.300 3.558 3.024 4.113 . 0 0 "[ . 1 . 2]" 1
267 1 13 LYS HA 1 16 PHE HD1 . . 6.500 5.945 5.576 6.466 . 0 0 "[ . 1 . 2]" 1
268 1 13 LYS HA 1 65 PHE HE1 . . 5.400 2.837 2.140 3.436 . 0 0 "[ . 1 . 2]" 1
269 1 13 LYS HA 1 65 PHE HZ . . 6.500 2.257 1.983 2.523 . 0 0 "[ . 1 . 2]" 1
270 1 13 LYS QB 1 14 GLU QB . . 6.580 3.744 3.508 4.234 . 0 0 "[ . 1 . 2]" 1
271 1 13 LYS QB 1 65 PHE HZ . . 7.500 4.015 3.012 4.662 . 0 0 "[ . 1 . 2]" 1
272 1 13 LYS QG 1 16 PHE QB . . 8.250 4.141 3.766 4.577 . 0 0 "[ . 1 . 2]" 1
273 1 13 LYS QG 1 17 SER H . . 7.380 5.768 5.349 6.121 . 0 0 "[ . 1 . 2]" 1
274 1 13 LYS QG 1 65 PHE HE1 . . 7.380 4.432 3.354 5.334 . 0 0 "[ . 1 . 2]" 1
275 1 14 GLU H 1 15 ALA H . . 3.800 2.558 2.511 2.685 . 0 0 "[ . 1 . 2]" 1
276 1 14 GLU H 1 16 PHE H . . 5.700 4.261 4.102 4.591 . 0 0 "[ . 1 . 2]" 1
277 1 14 GLU HA 1 14 GLU QG . . 3.700 2.225 1.972 3.329 . 0 0 "[ . 1 . 2]" 1
278 1 14 GLU HA 1 18 LEU HG . . 6.500 6.419 5.342 6.546 0.046 4 0 "[ . 1 . 2]" 1
279 1 14 GLU QB 1 15 ALA MB . . 8.380 3.960 3.849 4.575 . 0 0 "[ . 1 . 2]" 1
280 1 14 GLU QG 1 17 SER QB . . 8.500 4.159 3.332 5.040 . 0 0 "[ . 1 . 2]" 1
281 1 14 GLU QG 1 18 LEU QD . . 9.470 5.230 4.172 6.095 . 0 0 "[ . 1 . 2]" 1
282 1 15 ALA H 1 16 PHE H . . 4.400 2.768 2.596 3.005 . 0 0 "[ . 1 . 2]" 1
283 1 15 ALA H 1 16 PHE QB . . 7.380 4.237 4.098 4.463 . 0 0 "[ . 1 . 2]" 1
284 1 15 ALA H 1 18 LEU H . . 6.500 5.310 4.952 5.462 . 0 0 "[ . 1 . 2]" 1
285 1 15 ALA H 1 18 LEU QD . . 9.070 5.175 4.252 5.803 . 0 0 "[ . 1 . 2]" 1
286 1 15 ALA HA 1 16 PHE HA . . 6.500 4.949 4.871 4.979 . 0 0 "[ . 1 . 2]" 1
287 1 15 ALA HA 1 17 SER H . . 6.500 4.169 3.777 4.487 . 0 0 "[ . 1 . 2]" 1
288 1 15 ALA HA 1 18 LEU H . . 4.600 3.361 3.153 3.597 . 0 0 "[ . 1 . 2]" 1
289 1 15 ALA HA 1 18 LEU QB . . 4.980 3.237 2.888 3.483 . 0 0 "[ . 1 . 2]" 1
290 1 15 ALA HA 1 18 LEU QD . . 8.770 3.022 1.979 3.732 . 0 0 "[ . 1 . 2]" 1
291 1 15 ALA HA 1 18 LEU HG . . 6.200 4.116 3.645 4.874 . 0 0 "[ . 1 . 2]" 1
292 1 15 ALA MB 1 16 PHE H . . 3.400 2.508 2.211 2.755 . 0 0 "[ . 1 . 2]" 1
293 1 15 ALA MB 1 16 PHE HA . . 7.500 3.722 3.612 3.835 . 0 0 "[ . 1 . 2]" 1
294 1 15 ALA MB 1 17 SER H . . 7.500 4.528 4.196 4.771 . 0 0 "[ . 1 . 2]" 1
295 1 15 ALA MB 1 18 LEU H . . 7.500 4.418 4.292 4.672 . 0 0 "[ . 1 . 2]" 1
296 1 15 ALA MB 1 18 LEU QB . . 6.080 3.918 3.684 4.206 . 0 0 "[ . 1 . 2]" 1
297 1 15 ALA MB 1 18 LEU QD . . 10.070 3.878 3.242 4.560 . 0 0 "[ . 1 . 2]" 1
298 1 16 PHE H 1 17 SER H . . 3.900 3.064 2.841 3.215 . 0 0 "[ . 1 . 2]" 1
299 1 16 PHE H 1 17 SER HA . . 6.000 5.479 5.307 5.588 . 0 0 "[ . 1 . 2]" 1
300 1 16 PHE H 1 17 SER QB . . 6.200 4.745 4.576 5.110 . 0 0 "[ . 1 . 2]" 1
301 1 16 PHE H 1 18 LEU H . . 5.600 4.603 4.420 4.822 . 0 0 "[ . 1 . 2]" 1
302 1 16 PHE H 1 19 PHE H . . 6.500 4.724 4.523 4.901 . 0 0 "[ . 1 . 2]" 1
303 1 16 PHE H 1 65 PHE HD1 . . 6.500 5.664 4.864 6.072 . 0 0 "[ . 1 . 2]" 1
304 1 16 PHE HA 1 18 LEU H . . 6.500 4.477 4.017 4.826 . 0 0 "[ . 1 . 2]" 1
305 1 16 PHE HA 1 19 PHE H . . 5.900 3.485 2.923 3.802 . 0 0 "[ . 1 . 2]" 1
306 1 16 PHE HA 1 19 PHE QB . . 7.200 2.128 1.934 2.509 . 0 0 "[ . 1 . 2]" 1
307 1 16 PHE HA 1 20 ASP H . . 6.400 3.505 3.128 4.062 . 0 0 "[ . 1 . 2]" 1
308 1 16 PHE HA 1 27 ILE MD . . 7.200 3.815 2.742 4.411 . 0 0 "[ . 1 . 2]" 1
309 1 16 PHE QB 1 17 SER HA . . 6.780 3.995 3.624 4.243 . 0 0 "[ . 1 . 2]" 1
310 1 16 PHE QB 1 18 LEU H . . 7.380 4.812 4.580 5.100 . 0 0 "[ . 1 . 2]" 1
311 1 16 PHE QB 1 65 PHE HE1 . . 6.150 2.280 1.880 2.975 . 0 0 "[ . 1 . 2]" 1
312 1 16 PHE QB 1 68 PHE HD2 . . 7.380 5.922 4.505 6.280 . 0 0 "[ . 1 . 2]" 1
313 1 16 PHE HB2 1 17 SER H . . 4.700 3.781 3.408 4.062 . 0 0 "[ . 1 . 2]" 1
314 1 16 PHE HB2 1 17 SER QB . . 7.500 5.530 5.211 6.190 . 0 0 "[ . 1 . 2]" 1
315 1 16 PHE HB2 1 65 PHE HE1 . . 6.500 2.317 1.959 3.023 . 0 0 "[ . 1 . 2]" 1
316 1 16 PHE HB3 1 17 SER H . . 4.700 2.439 2.166 2.774 . 0 0 "[ . 1 . 2]" 1
317 1 16 PHE HB3 1 17 SER QB . . 7.500 4.164 3.873 4.938 . 0 0 "[ . 1 . 2]" 1
318 1 16 PHE HB3 1 65 PHE HE1 . . 6.500 3.576 2.391 4.430 . 0 0 "[ . 1 . 2]" 1
319 1 16 PHE HD1 1 17 SER H . . 5.300 5.204 5.079 5.341 0.041 5 0 "[ . 1 . 2]" 1
320 1 16 PHE HD1 1 17 SER HA . . 6.500 5.810 5.357 6.390 . 0 0 "[ . 1 . 2]" 1
321 1 16 PHE HD1 1 17 SER QB . . 7.500 6.642 6.456 7.077 . 0 0 "[ . 1 . 2]" 1
322 1 16 PHE HD1 1 20 ASP H . . 5.800 4.495 4.057 5.086 . 0 0 "[ . 1 . 2]" 1
323 1 16 PHE HD1 1 68 PHE HB2 . . 6.200 5.970 4.428 6.222 0.022 17 0 "[ . 1 . 2]" 1
324 1 16 PHE HD1 1 68 PHE HB3 . . 6.200 5.846 3.974 6.235 0.035 5 0 "[ . 1 . 2]" 1
325 1 16 PHE QE 1 20 ASP H . . 6.500 5.135 4.661 5.573 . 0 0 "[ . 1 . 2]" 1
326 1 16 PHE QE 1 25 GLY H . . 6.500 4.484 3.720 6.023 . 0 0 "[ . 1 . 2]" 1
327 1 16 PHE QE 1 25 GLY HA2 . . 5.900 3.110 2.429 4.502 . 0 0 "[ . 1 . 2]" 1
328 1 16 PHE QE 1 25 GLY HA3 . . 5.900 4.425 3.844 5.367 . 0 0 "[ . 1 . 2]" 1
329 1 16 PHE QE 1 26 THR H . . 6.500 4.641 3.663 5.881 . 0 0 "[ . 1 . 2]" 1
330 1 16 PHE QE 1 26 THR HA . . 6.500 4.425 3.676 5.150 . 0 0 "[ . 1 . 2]" 1
331 1 16 PHE QE 1 27 ILE H . . 6.500 4.957 4.176 5.565 . 0 0 "[ . 1 . 2]" 1
332 1 16 PHE QE 1 64 ASP HA . . 6.500 4.456 3.337 5.301 . 0 0 "[ . 1 . 2]" 1
333 1 16 PHE QE 1 65 PHE H . . 6.500 4.129 2.606 5.281 . 0 0 "[ . 1 . 2]" 1
334 1 17 SER H 1 18 LEU H . . 4.100 2.956 2.712 3.076 . 0 0 "[ . 1 . 2]" 1
335 1 17 SER H 1 19 PHE H . . 6.000 4.473 4.044 4.669 . 0 0 "[ . 1 . 2]" 1
336 1 17 SER H 1 20 ASP H . . 6.500 4.603 4.295 4.738 . 0 0 "[ . 1 . 2]" 1
337 1 17 SER H 1 20 ASP QB . . 7.380 4.723 4.321 4.973 . 0 0 "[ . 1 . 2]" 1
338 1 17 SER HA 1 20 ASP H . . 4.400 3.862 3.373 4.113 . 0 0 "[ . 1 . 2]" 1
339 1 17 SER HA 1 20 ASP HB2 . . 5.700 4.157 2.565 5.026 . 0 0 "[ . 1 . 2]" 1
340 1 17 SER HA 1 20 ASP QB . . 5.430 3.279 2.470 3.628 . 0 0 "[ . 1 . 2]" 1
341 1 17 SER HA 1 20 ASP HB3 . . 5.700 3.486 3.110 3.800 . 0 0 "[ . 1 . 2]" 1
342 1 17 SER QB 1 23 GLY QA . . 8.380 6.470 5.703 6.687 . 0 0 "[ . 1 . 2]" 1
343 1 18 LEU H 1 18 LEU HB2 . . 4.000 2.324 2.094 2.457 . 0 0 "[ . 1 . 2]" 1
344 1 18 LEU H 1 18 LEU QB . . 3.750 2.293 2.076 2.414 . 0 0 "[ . 1 . 2]" 1
345 1 18 LEU H 1 18 LEU HB3 . . 4.000 3.517 3.403 3.549 . 0 0 "[ . 1 . 2]" 1
346 1 18 LEU H 1 18 LEU HG . . 3.500 2.495 2.205 3.044 . 0 0 "[ . 1 . 2]" 1
347 1 18 LEU H 1 19 PHE H . . 3.800 2.713 2.573 2.890 . 0 0 "[ . 1 . 2]" 1
348 1 18 LEU H 1 20 ASP H . . 4.700 4.023 3.843 4.254 . 0 0 "[ . 1 . 2]" 1
349 1 18 LEU HA 1 19 PHE HA . . 5.000 4.859 4.789 4.909 . 0 0 "[ . 1 . 2]" 1
350 1 18 LEU HA 1 21 LYS QD . . 6.300 4.282 3.425 5.540 . 0 0 "[ . 1 . 2]" 1
351 1 18 LEU HA 1 21 LYS QG . . 7.380 5.522 5.076 6.053 . 0 0 "[ . 1 . 2]" 1
352 1 18 LEU HA 1 35 VAL HA . . 6.500 6.485 6.059 6.641 0.141 17 0 "[ . 1 . 2]" 1
353 1 18 LEU HA 1 35 VAL QG . . 9.060 4.309 4.051 4.677 . 0 0 "[ . 1 . 2]" 1
354 1 18 LEU QB 1 19 PHE HA . . 5.090 3.831 3.790 3.892 . 0 0 "[ . 1 . 2]" 1
355 1 18 LEU QB 1 35 VAL QG . . 7.440 2.826 2.440 3.232 . 0 0 "[ . 1 . 2]" 1
356 1 18 LEU HB2 1 19 PHE H . . 4.900 2.451 2.301 2.860 . 0 0 "[ . 1 . 2]" 1
357 1 18 LEU HB2 1 19 PHE HA . . 5.500 4.369 4.163 4.769 . 0 0 "[ . 1 . 2]" 1
358 1 18 LEU HB2 1 35 VAL MG1 . . 9.250 4.621 3.554 5.833 . 0 0 "[ . 1 . 2]" 1
359 1 18 LEU HB2 1 35 VAL MG2 . . 9.250 3.819 3.290 4.457 . 0 0 "[ . 1 . 2]" 1
360 1 18 LEU HB3 1 19 PHE H . . 4.900 3.333 3.068 3.558 . 0 0 "[ . 1 . 2]" 1
361 1 18 LEU HB3 1 19 PHE HA . . 5.500 4.260 4.050 4.408 . 0 0 "[ . 1 . 2]" 1
362 1 18 LEU HB3 1 35 VAL MG1 . . 9.250 4.235 3.004 5.461 . 0 0 "[ . 1 . 2]" 1
363 1 18 LEU HB3 1 35 VAL MG2 . . 9.250 3.173 2.491 3.724 . 0 0 "[ . 1 . 2]" 1
364 1 18 LEU QD 1 19 PHE H . . 5.740 3.945 3.773 4.143 . 0 0 "[ . 1 . 2]" 1
365 1 18 LEU QD 1 19 PHE HA . . 8.670 5.045 4.823 5.128 . 0 0 "[ . 1 . 2]" 1
366 1 18 LEU QD 1 35 VAL HB . . 9.070 5.954 4.824 6.678 . 0 0 "[ . 1 . 2]" 1
367 1 18 LEU QD 1 35 VAL QG . . 11.530 3.524 3.069 3.919 . 0 0 "[ . 1 . 2]" 1
368 1 18 LEU QD 1 38 SER H . . 9.070 6.482 6.013 6.728 . 0 0 "[ . 1 . 2]" 1
369 1 18 LEU QD 1 38 SER QB . . 8.650 4.252 3.906 4.522 . 0 0 "[ . 1 . 2]" 1
370 1 18 LEU QD 1 39 LEU HG . . 9.070 5.860 4.913 6.549 . 0 0 "[ . 1 . 2]" 1
371 1 18 LEU MD1 1 19 PHE H . . 6.200 4.248 3.947 4.658 . 0 0 "[ . 1 . 2]" 1
372 1 18 LEU MD2 1 19 PHE H . . 6.200 4.703 4.595 4.847 . 0 0 "[ . 1 . 2]" 1
373 1 18 LEU HG 1 19 PHE H . . 4.800 4.484 4.274 4.876 0.076 16 0 "[ . 1 . 2]" 1
374 1 18 LEU HG 1 35 VAL QG . . 7.860 5.239 4.938 5.608 . 0 0 "[ . 1 . 2]" 1
375 1 19 PHE H 1 20 ASP H . . 3.800 2.933 2.721 3.081 . 0 0 "[ . 1 . 2]" 1
376 1 19 PHE H 1 20 ASP QB . . 6.380 4.693 4.376 4.840 . 0 0 "[ . 1 . 2]" 1
377 1 19 PHE H 1 21 LYS H . . 6.300 5.908 4.512 6.369 0.069 11 0 "[ . 1 . 2]" 1
378 1 19 PHE H 1 27 ILE MD . . 7.500 5.258 4.400 5.471 . 0 0 "[ . 1 . 2]" 1
379 1 19 PHE H 1 35 VAL HB . . 6.500 5.691 4.495 6.521 0.021 6 0 "[ . 1 . 2]" 1
380 1 19 PHE HA 1 20 ASP HA . . 6.200 4.610 4.541 4.702 . 0 0 "[ . 1 . 2]" 1
381 1 19 PHE HA 1 21 LYS H . . 6.500 4.735 3.651 5.262 . 0 0 "[ . 1 . 2]" 1
382 1 19 PHE HA 1 21 LYS HA . . 6.500 6.056 5.877 6.365 . 0 0 "[ . 1 . 2]" 1
383 1 19 PHE HA 1 21 LYS QD . . 7.500 4.704 4.269 5.407 . 0 0 "[ . 1 . 2]" 1
384 1 19 PHE HA 1 21 LYS HG2 . . 6.500 4.519 3.486 5.175 . 0 0 "[ . 1 . 2]" 1
385 1 19 PHE HA 1 21 LYS HG3 . . 6.500 5.820 4.437 6.578 0.078 8 0 "[ . 1 . 2]" 1
386 1 19 PHE HA 1 35 VAL QG . . 7.360 1.941 1.726 2.685 . 0 0 "[ . 1 . 2]" 1
387 1 19 PHE QB 1 20 ASP HA . . 6.200 3.858 3.736 4.118 . 0 0 "[ . 1 . 2]" 1
388 1 19 PHE QB 1 21 LYS QE . . 8.500 4.581 4.155 6.351 . 0 0 "[ . 1 . 2]" 1
389 1 19 PHE QB 1 27 ILE MD . . 5.700 2.902 2.053 3.326 . 0 0 "[ . 1 . 2]" 1
390 1 19 PHE QB 1 27 ILE MG . . 8.500 3.344 2.797 4.695 . 0 0 "[ . 1 . 2]" 1
391 1 20 ASP H 1 20 ASP HB2 . . 4.100 2.351 2.100 2.655 . 0 0 "[ . 1 . 2]" 1
392 1 20 ASP H 1 20 ASP QB . . 3.900 2.205 2.058 2.344 . 0 0 "[ . 1 . 2]" 1
393 1 20 ASP H 1 20 ASP HB3 . . 4.100 2.746 2.535 2.985 . 0 0 "[ . 1 . 2]" 1
394 1 20 ASP H 1 21 LYS H . . 4.300 3.997 3.057 4.285 . 0 0 "[ . 1 . 2]" 1
395 1 20 ASP H 1 21 LYS HA . . 6.500 4.914 4.455 5.190 . 0 0 "[ . 1 . 2]" 1
396 1 20 ASP H 1 27 ILE MD . . 7.500 3.582 2.856 4.074 . 0 0 "[ . 1 . 2]" 1
397 1 20 ASP H 1 27 ILE MG . . 7.500 5.351 4.883 5.857 . 0 0 "[ . 1 . 2]" 1
398 1 20 ASP HA 1 21 LYS HA . . 6.000 4.551 4.471 4.839 . 0 0 "[ . 1 . 2]" 1
399 1 20 ASP HA 1 21 LYS QD . . 7.500 5.015 4.197 5.759 . 0 0 "[ . 1 . 2]" 1
400 1 20 ASP HA 1 21 LYS HG2 . . 6.500 3.756 3.656 3.923 . 0 0 "[ . 1 . 2]" 1
401 1 20 ASP HA 1 21 LYS HG3 . . 6.500 5.395 5.144 5.575 . 0 0 "[ . 1 . 2]" 1
402 1 20 ASP HA 1 22 ASP H . . 4.400 3.900 3.000 4.341 . 0 0 "[ . 1 . 2]" 1
403 1 20 ASP HA 1 27 ILE HA . . 6.400 3.229 2.924 4.129 . 0 0 "[ . 1 . 2]" 1
404 1 20 ASP HA 1 27 ILE HB . . 6.500 5.066 4.743 6.243 . 0 0 "[ . 1 . 2]" 1
405 1 20 ASP HA 1 27 ILE MD . . 7.500 2.790 2.193 3.389 . 0 0 "[ . 1 . 2]" 1
406 1 20 ASP HA 1 27 ILE MG . . 7.500 4.186 3.809 4.869 . 0 0 "[ . 1 . 2]" 1
407 1 20 ASP QB 1 21 LYS QE . . 8.380 5.521 5.020 6.738 . 0 0 "[ . 1 . 2]" 1
408 1 20 ASP QB 1 21 LYS QG . . 8.250 5.105 4.755 5.267 . 0 0 "[ . 1 . 2]" 1
409 1 20 ASP QB 1 22 ASP H . . 6.000 4.818 3.358 5.113 . 0 0 "[ . 1 . 2]" 1
410 1 20 ASP QB 1 22 ASP HA . . 7.380 6.380 5.726 6.538 . 0 0 "[ . 1 . 2]" 1
411 1 20 ASP QB 1 23 GLY H . . 5.840 3.569 3.268 4.007 . 0 0 "[ . 1 . 2]" 1
412 1 20 ASP QB 1 25 GLY H . . 7.380 4.277 3.824 5.159 . 0 0 "[ . 1 . 2]" 1
413 1 20 ASP QB 1 27 ILE MD . . 7.080 2.475 1.755 3.583 . 0 0 "[ . 1 . 2]" 1
414 1 20 ASP QB 1 27 ILE QG . . 7.880 3.386 2.715 5.230 . 0 0 "[ . 1 . 2]" 1
415 1 20 ASP HB2 1 22 ASP H . . 6.500 5.883 4.658 6.325 . 0 0 "[ . 1 . 2]" 1
416 1 20 ASP HB2 1 23 GLY H . . 6.000 4.715 4.323 5.119 . 0 0 "[ . 1 . 2]" 1
417 1 20 ASP HB3 1 22 ASP H . . 6.500 5.124 3.444 5.517 . 0 0 "[ . 1 . 2]" 1
418 1 20 ASP HB3 1 23 GLY H . . 6.000 3.701 3.336 4.185 . 0 0 "[ . 1 . 2]" 1
419 1 21 LYS H 1 21 LYS QD . . 5.300 3.406 2.843 3.771 . 0 0 "[ . 1 . 2]" 1
420 1 21 LYS H 1 21 LYS HG2 . . 3.600 1.921 1.872 2.108 . 0 0 "[ . 1 . 2]" 1
421 1 21 LYS H 1 21 LYS QG . . 3.390 1.910 1.864 2.087 . 0 0 "[ . 1 . 2]" 1
422 1 21 LYS H 1 21 LYS HG3 . . 3.600 3.387 3.233 3.454 . 0 0 "[ . 1 . 2]" 1
423 1 21 LYS H 1 22 ASP H . . 4.100 2.701 2.477 3.013 . 0 0 "[ . 1 . 2]" 1
424 1 21 LYS H 1 22 ASP QB . . 5.880 4.390 4.123 4.862 . 0 0 "[ . 1 . 2]" 1
425 1 21 LYS H 1 27 ILE MD . . 6.800 4.719 3.099 5.251 . 0 0 "[ . 1 . 2]" 1
426 1 21 LYS H 1 27 ILE QG . . 7.500 3.905 3.345 5.361 . 0 0 "[ . 1 . 2]" 1
427 1 21 LYS H 1 27 ILE MG . . 7.500 4.855 4.337 5.677 . 0 0 "[ . 1 . 2]" 1
428 1 21 LYS H 1 31 GLU H . . 6.500 6.074 5.186 6.642 0.142 10 0 "[ . 1 . 2]" 1
429 1 21 LYS H 1 31 GLU QG . . 6.900 3.077 1.961 4.069 . 0 0 "[ . 1 . 2]" 1
430 1 21 LYS HA 1 21 LYS QG . . 3.580 3.067 2.866 3.323 . 0 0 "[ . 1 . 2]" 1
431 1 21 LYS HA 1 23 GLY H . . 6.500 4.707 4.163 5.325 . 0 0 "[ . 1 . 2]" 1
432 1 21 LYS HA 1 35 VAL QG . . 9.060 5.524 4.870 6.310 . 0 0 "[ . 1 . 2]" 1
433 1 21 LYS QB 1 22 ASP H . . 5.300 2.702 2.185 3.819 . 0 0 "[ . 1 . 2]" 1
434 1 21 LYS QB 1 22 ASP HA . . 6.900 3.961 3.761 4.487 . 0 0 "[ . 1 . 2]" 1
435 1 21 LYS QB 1 23 GLY H . . 7.100 4.959 4.552 5.447 . 0 0 "[ . 1 . 2]" 1
436 1 21 LYS QD 1 22 ASP H . . 6.500 4.659 4.115 4.999 . 0 0 "[ . 1 . 2]" 1
437 1 21 LYS QD 1 31 GLU QB . . 7.800 4.291 2.846 5.219 . 0 0 "[ . 1 . 2]" 1
438 1 21 LYS QD 1 32 LEU HA . . 7.500 6.578 5.793 6.768 . 0 0 "[ . 1 . 2]" 1
439 1 21 LYS QD 1 35 VAL HB . . 7.500 5.494 3.979 6.366 . 0 0 "[ . 1 . 2]" 1
440 1 21 LYS QE 1 27 ILE MD . . 8.500 5.814 4.628 6.345 . 0 0 "[ . 1 . 2]" 1
441 1 21 LYS QE 1 32 LEU QB . . 8.380 6.010 5.418 6.235 . 0 0 "[ . 1 . 2]" 1
442 1 21 LYS QE 1 34 THR HA . . 7.500 4.432 4.000 6.009 . 0 0 "[ . 1 . 2]" 1
443 1 21 LYS QE 1 34 THR HB . . 7.500 2.180 1.942 3.756 . 0 0 "[ . 1 . 2]" 1
444 1 21 LYS QE 1 34 THR MG . . 8.400 2.304 1.930 3.676 . 0 0 "[ . 1 . 2]" 1
445 1 21 LYS QE 1 35 VAL QG . . 9.660 2.182 1.642 3.594 . 0 0 "[ . 1 . 2]" 1
446 1 21 LYS QG 1 22 ASP H . . 7.380 3.386 2.010 4.309 . 0 0 "[ . 1 . 2]" 1
447 1 21 LYS QG 1 31 GLU QG . . 8.380 2.346 1.743 2.914 . 0 0 "[ . 1 . 2]" 1
448 1 21 LYS QG 1 34 THR HB . . 7.380 2.768 1.964 4.670 . 0 0 "[ . 1 . 2]" 1
449 1 21 LYS QG 1 35 VAL QG . . 8.230 3.746 2.915 5.411 . 0 0 "[ . 1 . 2]" 1
450 1 21 LYS HG2 1 27 ILE QG . . 7.500 4.653 4.090 5.910 . 0 0 "[ . 1 . 2]" 1
451 1 21 LYS HG2 1 28 THR HB . . 6.500 6.138 5.333 6.568 0.068 17 0 "[ . 1 . 2]" 1
452 1 21 LYS HG2 1 35 VAL MG1 . . 9.250 5.977 4.815 6.999 . 0 0 "[ . 1 . 2]" 1
453 1 21 LYS HG2 1 35 VAL MG2 . . 9.250 4.241 3.110 6.302 . 0 0 "[ . 1 . 2]" 1
454 1 21 LYS HG3 1 27 ILE QG . . 7.500 6.071 5.461 6.691 . 0 0 "[ . 1 . 2]" 1
455 1 21 LYS HG3 1 28 THR HB . . 6.500 6.292 5.653 6.609 0.109 10 0 "[ . 1 . 2]" 1
456 1 21 LYS HG3 1 35 VAL MG1 . . 9.250 6.481 5.099 7.755 . 0 0 "[ . 1 . 2]" 1
457 1 21 LYS HG3 1 35 VAL MG2 . . 9.250 4.791 3.350 7.189 . 0 0 "[ . 1 . 2]" 1
458 1 22 ASP H 1 22 ASP HB2 . . 4.100 2.498 2.035 3.546 . 0 0 "[ . 1 . 2]" 1
459 1 22 ASP H 1 22 ASP QB . . 3.810 2.238 2.006 2.715 . 0 0 "[ . 1 . 2]" 1
460 1 22 ASP H 1 22 ASP HB3 . . 4.100 3.143 2.210 3.833 . 0 0 "[ . 1 . 2]" 1
461 1 22 ASP H 1 23 GLY H . . 3.300 2.868 1.986 3.298 . 0 0 "[ . 1 . 2]" 1
462 1 22 ASP H 1 23 GLY QA . . 5.680 4.513 3.528 4.722 . 0 0 "[ . 1 . 2]" 1
463 1 22 ASP H 1 24 ASP H . . 6.500 4.721 4.213 5.075 . 0 0 "[ . 1 . 2]" 1
464 1 22 ASP H 1 24 ASP QB . . 7.380 6.177 5.521 6.536 . 0 0 "[ . 1 . 2]" 1
465 1 22 ASP H 1 26 THR H . . 6.500 6.076 5.596 6.508 0.008 4 0 "[ . 1 . 2]" 1
466 1 22 ASP H 1 28 THR H . . 6.500 5.096 4.735 6.180 . 0 0 "[ . 1 . 2]" 1
467 1 22 ASP H 1 31 GLU QG . . 7.500 3.030 2.431 4.630 . 0 0 "[ . 1 . 2]" 1
468 1 22 ASP HA 1 23 GLY HA2 . . 5.300 5.337 5.281 5.368 0.068 15 0 "[ . 1 . 2]" 1
469 1 22 ASP HA 1 23 GLY QA . . 5.130 4.391 4.356 4.421 . 0 0 "[ . 1 . 2]" 1
470 1 22 ASP HA 1 23 GLY HA3 . . 5.300 4.671 4.640 4.706 . 0 0 "[ . 1 . 2]" 1
471 1 22 ASP HA 1 24 ASP H . . 5.900 5.090 4.849 5.328 . 0 0 "[ . 1 . 2]" 1
472 1 22 ASP QB 1 24 ASP H . . 7.380 2.945 2.479 3.810 . 0 0 "[ . 1 . 2]" 1
473 1 22 ASP QB 1 24 ASP QB . . 8.250 3.391 2.744 4.110 . 0 0 "[ . 1 . 2]" 1
474 1 22 ASP QB 1 28 THR H . . 5.480 4.511 3.788 4.851 . 0 0 "[ . 1 . 2]" 1
475 1 22 ASP HB2 1 23 GLY H . . 5.500 2.898 2.174 3.794 . 0 0 "[ . 1 . 2]" 1
476 1 22 ASP HB3 1 23 GLY H . . 5.500 2.983 2.075 3.955 . 0 0 "[ . 1 . 2]" 1
477 1 23 GLY H 1 24 ASP H . . 4.200 2.273 1.985 2.545 . 0 0 "[ . 1 . 2]" 1
478 1 23 GLY H 1 24 ASP HA . . 5.800 4.852 4.557 5.062 . 0 0 "[ . 1 . 2]" 1
479 1 23 GLY H 1 24 ASP HB2 . . 6.500 5.724 5.414 5.971 . 0 0 "[ . 1 . 2]" 1
480 1 23 GLY H 1 24 ASP HB3 . . 6.500 4.818 4.258 5.221 . 0 0 "[ . 1 . 2]" 1
481 1 23 GLY H 1 25 GLY H . . 5.400 3.685 3.460 4.223 . 0 0 "[ . 1 . 2]" 1
482 1 23 GLY H 1 25 GLY QA . . 7.280 5.351 5.150 5.619 . 0 0 "[ . 1 . 2]" 1
483 1 23 GLY H 1 26 THR H . . 6.500 4.468 4.143 5.020 . 0 0 "[ . 1 . 2]" 1
484 1 23 GLY QA 1 24 ASP HA . . 5.980 3.991 3.965 4.028 . 0 0 "[ . 1 . 2]" 1
485 1 23 GLY HA2 1 25 GLY H . . 6.500 3.595 3.119 4.226 . 0 0 "[ . 1 . 2]" 1
486 1 23 GLY HA3 1 25 GLY H . . 6.500 4.822 4.365 5.318 . 0 0 "[ . 1 . 2]" 1
487 1 24 ASP H 1 25 GLY H . . 3.900 2.029 1.838 2.521 . 0 0 "[ . 1 . 2]" 1
488 1 24 ASP H 1 25 GLY HA2 . . 5.200 4.306 4.151 4.529 . 0 0 "[ . 1 . 2]" 1
489 1 24 ASP H 1 25 GLY HA3 . . 5.200 4.691 4.582 4.863 . 0 0 "[ . 1 . 2]" 1
490 1 24 ASP H 1 26 THR H . . 4.600 3.075 2.633 3.460 . 0 0 "[ . 1 . 2]" 1
491 1 24 ASP H 1 26 THR MG . . 7.500 5.516 5.070 6.256 . 0 0 "[ . 1 . 2]" 1
492 1 24 ASP HA 1 25 GLY QA . . 7.280 4.246 4.137 4.296 . 0 0 "[ . 1 . 2]" 1
493 1 24 ASP HA 1 26 THR H . . 5.600 4.815 4.198 5.432 . 0 0 "[ . 1 . 2]" 1
494 1 24 ASP QB 1 25 GLY QA . . 8.250 4.279 3.966 4.674 . 0 0 "[ . 1 . 2]" 1
495 1 24 ASP QB 1 26 THR HB . . 7.380 5.365 3.565 6.070 . 0 0 "[ . 1 . 2]" 1
496 1 24 ASP QB 1 26 THR MG . . 8.380 4.461 3.639 5.670 . 0 0 "[ . 1 . 2]" 1
497 1 24 ASP HB2 1 25 GLY H . . 6.500 4.015 3.451 4.621 . 0 0 "[ . 1 . 2]" 1
498 1 24 ASP HB2 1 26 THR H . . 6.500 4.272 3.545 5.030 . 0 0 "[ . 1 . 2]" 1
499 1 24 ASP HB3 1 25 GLY H . . 6.500 4.269 3.724 4.710 . 0 0 "[ . 1 . 2]" 1
500 1 24 ASP HB3 1 26 THR H . . 6.500 4.806 3.996 5.540 . 0 0 "[ . 1 . 2]" 1
501 1 25 GLY H 1 26 THR H . . 3.800 2.141 1.831 2.803 . 0 0 "[ . 1 . 2]" 1
502 1 25 GLY H 1 26 THR HA . . 6.500 4.709 4.436 5.343 . 0 0 "[ . 1 . 2]" 1
503 1 25 GLY H 1 26 THR MG . . 7.500 4.658 3.899 6.000 . 0 0 "[ . 1 . 2]" 1
504 1 25 GLY H 1 27 ILE H . . 6.500 6.087 5.757 6.521 0.021 9 0 "[ . 1 . 2]" 1
505 1 25 GLY HA2 1 26 THR MG . . 7.500 4.629 4.097 6.063 . 0 0 "[ . 1 . 2]" 1
506 1 25 GLY HA3 1 26 THR MG . . 7.500 3.956 3.394 5.651 . 0 0 "[ . 1 . 2]" 1
507 1 26 THR H 1 26 THR MG . . 4.400 3.390 2.890 3.843 . 0 0 "[ . 1 . 2]" 1
508 1 26 THR H 1 27 ILE H . . 5.900 4.269 3.992 4.557 . 0 0 "[ . 1 . 2]" 1
509 1 26 THR H 1 27 ILE HA . . 6.500 4.607 4.342 5.026 . 0 0 "[ . 1 . 2]" 1
510 1 26 THR HA 1 26 THR MG . . 3.500 2.259 2.152 2.416 . 0 0 "[ . 1 . 2]" 1
511 1 26 THR HA 1 27 ILE HA . . 5.100 4.325 4.304 4.345 . 0 0 "[ . 1 . 2]" 1
512 1 26 THR HA 1 27 ILE MD . . 7.500 3.031 2.668 4.297 . 0 0 "[ . 1 . 2]" 1
513 1 26 THR HA 1 27 ILE QG . . 7.500 4.835 3.840 5.148 . 0 0 "[ . 1 . 2]" 1
514 1 26 THR HA 1 64 ASP QB . . 7.380 4.518 4.057 5.300 . 0 0 "[ . 1 . 2]" 1
515 1 26 THR HA 1 65 PHE H . . 6.500 4.981 4.319 5.757 . 0 0 "[ . 1 . 2]" 1
516 1 26 THR HB 1 27 ILE H . . 4.700 3.519 2.930 4.207 . 0 0 "[ . 1 . 2]" 1
517 1 26 THR HB 1 27 ILE HA . . 4.900 4.818 4.600 4.950 0.050 16 0 "[ . 1 . 2]" 1
518 1 26 THR HB 1 27 ILE MD . . 7.500 4.808 4.371 5.502 . 0 0 "[ . 1 . 2]" 1
519 1 26 THR HB 1 27 ILE QG . . 7.500 6.137 5.618 6.367 . 0 0 "[ . 1 . 2]" 1
520 1 26 THR HB 1 28 THR HB . . 6.000 5.993 5.761 6.062 0.062 5 0 "[ . 1 . 2]" 1
521 1 26 THR HB 1 28 THR MG . . 7.500 5.752 5.301 6.181 . 0 0 "[ . 1 . 2]" 1
522 1 26 THR HB 1 64 ASP HA . . 6.500 5.342 4.378 6.179 . 0 0 "[ . 1 . 2]" 1
523 1 26 THR MG 1 27 ILE H . . 5.200 3.578 2.262 3.988 . 0 0 "[ . 1 . 2]" 1
524 1 26 THR MG 1 27 ILE HA . . 6.800 5.328 4.021 5.658 . 0 0 "[ . 1 . 2]" 1
525 1 26 THR MG 1 28 THR H . . 7.500 5.284 3.460 6.094 . 0 0 "[ . 1 . 2]" 1
526 1 26 THR MG 1 64 ASP HA . . 6.800 3.930 3.025 4.650 . 0 0 "[ . 1 . 2]" 1
527 1 26 THR MG 1 65 PHE H . . 7.500 5.358 4.357 6.042 . 0 0 "[ . 1 . 2]" 1
528 1 27 ILE H 1 27 ILE MD . . 4.500 2.315 1.921 3.423 . 0 0 "[ . 1 . 2]" 1
529 1 27 ILE H 1 27 ILE MG . . 4.600 3.580 3.434 3.692 . 0 0 "[ . 1 . 2]" 1
530 1 27 ILE H 1 28 THR H . . 6.100 4.038 3.779 4.316 . 0 0 "[ . 1 . 2]" 1
531 1 27 ILE H 1 63 ILE H . . 6.500 3.513 3.108 3.854 . 0 0 "[ . 1 . 2]" 1
532 1 27 ILE H 1 63 ILE HB . . 4.900 3.366 2.773 3.892 . 0 0 "[ . 1 . 2]" 1
533 1 27 ILE H 1 63 ILE QG . . 7.380 4.818 4.364 5.244 . 0 0 "[ . 1 . 2]" 1
534 1 27 ILE H 1 64 ASP HA . . 6.500 3.106 2.501 3.700 . 0 0 "[ . 1 . 2]" 1
535 1 27 ILE HA 1 27 ILE MD . . 3.600 2.757 1.885 2.959 . 0 0 "[ . 1 . 2]" 1
536 1 27 ILE HA 1 31 GLU H . . 6.500 5.108 4.721 5.539 . 0 0 "[ . 1 . 2]" 1
537 1 27 ILE HA 1 31 GLU QB . . 6.900 2.762 2.401 3.396 . 0 0 "[ . 1 . 2]" 1
538 1 27 ILE HB 1 27 ILE MD . . 3.500 2.235 2.046 3.206 . 0 0 "[ . 1 . 2]" 1
539 1 27 ILE HB 1 28 THR H . . 5.000 4.651 4.609 4.689 . 0 0 "[ . 1 . 2]" 1
540 1 27 ILE HB 1 63 ILE H . . 4.200 3.765 3.365 4.077 . 0 0 "[ . 1 . 2]" 1
541 1 27 ILE HB 1 63 ILE HB . . 4.600 2.081 1.936 2.535 . 0 0 "[ . 1 . 2]" 1
542 1 27 ILE HB 1 63 ILE QG . . 7.280 3.974 3.625 4.245 . 0 0 "[ . 1 . 2]" 1
543 1 27 ILE HB 1 65 PHE H . . 6.500 5.940 5.421 6.533 0.033 19 0 "[ . 1 . 2]" 1
544 1 27 ILE MD 1 28 THR H . . 5.700 4.537 3.713 4.695 . 0 0 "[ . 1 . 2]" 1
545 1 27 ILE MD 1 63 ILE HB . . 6.200 3.886 3.465 4.612 . 0 0 "[ . 1 . 2]" 1
546 1 27 ILE MD 1 63 ILE MD . . 8.500 4.885 4.452 5.470 . 0 0 "[ . 1 . 2]" 1
547 1 27 ILE MD 1 63 ILE MG . . 7.700 3.640 2.839 4.733 . 0 0 "[ . 1 . 2]" 1
548 1 27 ILE MD 1 64 ASP HA . . 7.500 3.129 2.423 4.864 . 0 0 "[ . 1 . 2]" 1
549 1 27 ILE MD 1 68 PHE HE2 . . 7.500 5.723 5.326 6.219 . 0 0 "[ . 1 . 2]" 1
550 1 27 ILE QG 1 31 GLU QB . . 8.500 3.321 2.622 5.405 . 0 0 "[ . 1 . 2]" 1
551 1 27 ILE QG 1 32 LEU QB . . 8.080 4.904 4.712 5.037 . 0 0 "[ . 1 . 2]" 1
552 1 27 ILE QG 1 35 VAL QG . . 8.660 4.168 3.605 4.933 . 0 0 "[ . 1 . 2]" 1
553 1 27 ILE MG 1 28 THR H . . 7.500 3.521 3.184 3.722 . 0 0 "[ . 1 . 2]" 1
554 1 27 ILE MG 1 31 GLU H . . 7.500 4.142 3.930 4.382 . 0 0 "[ . 1 . 2]" 1
555 1 27 ILE MG 1 31 GLU QB . . 7.100 2.383 1.929 3.149 . 0 0 "[ . 1 . 2]" 1
556 1 27 ILE MG 1 32 LEU HA . . 7.400 2.836 2.410 3.548 . 0 0 "[ . 1 . 2]" 1
557 1 27 ILE MG 1 32 LEU QB . . 8.380 2.450 2.032 2.819 . 0 0 "[ . 1 . 2]" 1
558 1 27 ILE MG 1 35 VAL HB . . 6.700 5.042 4.535 5.473 . 0 0 "[ . 1 . 2]" 1
559 1 28 THR H 1 30 LYS QD . . 7.500 6.034 5.034 6.725 . 0 0 "[ . 1 . 2]" 1
560 1 28 THR H 1 30 LYS QG . . 7.380 5.048 4.037 6.607 . 0 0 "[ . 1 . 2]" 1
561 1 28 THR H 1 31 GLU H . . 4.800 3.853 3.263 4.235 . 0 0 "[ . 1 . 2]" 1
562 1 28 THR H 1 31 GLU QB . . 5.600 2.504 2.215 3.137 . 0 0 "[ . 1 . 2]" 1
563 1 28 THR H 1 31 GLU QG . . 7.500 3.250 2.169 3.937 . 0 0 "[ . 1 . 2]" 1
564 1 28 THR H 1 32 LEU H . . 5.100 4.998 4.597 5.176 0.076 11 0 "[ . 1 . 2]" 1
565 1 28 THR H 1 62 THR MG . . 7.500 3.496 3.075 3.869 . 0 0 "[ . 1 . 2]" 1
566 1 28 THR HA 1 29 THR HA . . 5.100 4.257 4.250 4.269 . 0 0 "[ . 1 . 2]" 1
567 1 28 THR HA 1 29 THR MG . . 7.500 3.524 3.453 3.584 . 0 0 "[ . 1 . 2]" 1
568 1 28 THR HA 1 30 LYS H . . 4.500 4.301 3.981 4.560 0.060 17 0 "[ . 1 . 2]" 1
569 1 28 THR HA 1 31 GLU H . . 5.300 4.317 4.156 4.461 . 0 0 "[ . 1 . 2]" 1
570 1 28 THR HA 1 62 THR HB . . 6.500 4.849 4.420 5.034 . 0 0 "[ . 1 . 2]" 1
571 1 28 THR HA 1 62 THR MG . . 6.900 1.949 1.765 2.095 . 0 0 "[ . 1 . 2]" 1
572 1 28 THR HA 1 63 ILE H . . 6.500 3.606 3.264 4.116 . 0 0 "[ . 1 . 2]" 1
573 1 28 THR HB 1 29 THR H . . 4.300 4.087 3.942 4.223 . 0 0 "[ . 1 . 2]" 1
574 1 28 THR HB 1 30 LYS HB2 . . 6.500 5.256 3.216 6.458 . 0 0 "[ . 1 . 2]" 1
575 1 28 THR HB 1 30 LYS HB3 . . 6.500 5.112 4.681 5.980 . 0 0 "[ . 1 . 2]" 1
576 1 28 THR HB 1 30 LYS QG . . 7.380 3.137 2.202 5.061 . 0 0 "[ . 1 . 2]" 1
577 1 28 THR HB 1 31 GLU HA . . 4.900 4.637 4.188 4.970 0.070 1 0 "[ . 1 . 2]" 1
578 1 28 THR HB 1 31 GLU QG . . 7.500 2.385 1.959 4.105 . 0 0 "[ . 1 . 2]" 1
579 1 28 THR HB 1 32 LEU H . . 6.500 4.889 4.630 5.204 . 0 0 "[ . 1 . 2]" 1
580 1 28 THR HB 1 62 THR MG . . 5.300 4.342 3.938 4.462 . 0 0 "[ . 1 . 2]" 1
581 1 28 THR MG 1 62 THR MG . . 7.300 3.466 2.991 3.855 . 0 0 "[ . 1 . 2]" 1
582 1 29 THR H 1 29 THR MG . . 3.500 1.875 1.829 1.941 . 0 0 "[ . 1 . 2]" 1
583 1 29 THR H 1 30 LYS H . . 4.500 2.966 2.881 3.042 . 0 0 "[ . 1 . 2]" 1
584 1 29 THR H 1 30 LYS QB . . 5.980 4.962 4.784 5.156 . 0 0 "[ . 1 . 2]" 1
585 1 29 THR H 1 30 LYS QD . . 7.500 5.385 4.767 6.358 . 0 0 "[ . 1 . 2]" 1
586 1 29 THR H 1 30 LYS QG . . 7.380 4.508 4.148 4.874 . 0 0 "[ . 1 . 2]" 1
587 1 29 THR H 1 31 GLU H . . 6.500 4.218 3.789 4.582 . 0 0 "[ . 1 . 2]" 1
588 1 29 THR H 1 32 LEU QD . . 9.070 5.498 5.136 5.999 . 0 0 "[ . 1 . 2]" 1
589 1 29 THR H 1 52 ILE MG . . 7.500 3.763 3.258 4.030 . 0 0 "[ . 1 . 2]" 1
590 1 29 THR H 1 62 THR HA . . 6.500 3.577 3.239 3.874 . 0 0 "[ . 1 . 2]" 1
591 1 29 THR H 1 62 THR MG . . 5.600 3.348 2.672 3.781 . 0 0 "[ . 1 . 2]" 1
592 1 29 THR H 1 63 ILE H . . 6.500 4.595 4.163 5.132 . 0 0 "[ . 1 . 2]" 1
593 1 29 THR HA 1 29 THR MG . . 3.400 2.462 2.402 2.493 . 0 0 "[ . 1 . 2]" 1
594 1 29 THR HA 1 30 LYS QG . . 6.380 5.248 5.040 5.504 . 0 0 "[ . 1 . 2]" 1
595 1 29 THR HA 1 31 GLU H . . 5.700 4.392 4.063 4.784 . 0 0 "[ . 1 . 2]" 1
596 1 29 THR HA 1 32 LEU H . . 5.300 3.348 3.143 3.549 . 0 0 "[ . 1 . 2]" 1
597 1 29 THR HA 1 32 LEU HA . . 5.500 5.332 5.008 5.548 0.048 16 0 "[ . 1 . 2]" 1
598 1 29 THR HA 1 32 LEU HB2 . . 6.500 3.375 3.124 3.920 . 0 0 "[ . 1 . 2]" 1
599 1 29 THR HA 1 32 LEU QB . . 6.100 2.700 2.307 2.955 . 0 0 "[ . 1 . 2]" 1
600 1 29 THR HA 1 32 LEU HB3 . . 6.500 2.860 2.373 3.213 . 0 0 "[ . 1 . 2]" 1
601 1 29 THR HA 1 33 GLY H . . 5.700 4.502 4.168 4.819 . 0 0 "[ . 1 . 2]" 1
602 1 29 THR HA 1 48 LEU HG . . 6.500 6.079 5.363 6.462 . 0 0 "[ . 1 . 2]" 1
603 1 29 THR HA 1 52 ILE HA . . 6.500 5.325 4.985 5.551 . 0 0 "[ . 1 . 2]" 1
604 1 29 THR HA 1 52 ILE HB . . 6.500 3.903 3.439 4.225 . 0 0 "[ . 1 . 2]" 1
605 1 29 THR HA 1 62 THR HA . . 5.700 4.568 4.061 4.951 . 0 0 "[ . 1 . 2]" 1
606 1 29 THR HA 1 63 ILE MD . . 5.200 3.822 3.288 4.270 . 0 0 "[ . 1 . 2]" 1
607 1 29 THR HA 1 63 ILE QG . . 7.380 3.628 3.465 3.768 . 0 0 "[ . 1 . 2]" 1
608 1 29 THR HB 1 30 LYS QG . . 6.680 5.539 4.420 5.896 . 0 0 "[ . 1 . 2]" 1
609 1 29 THR HB 1 32 LEU H . . 6.500 5.233 5.054 5.432 . 0 0 "[ . 1 . 2]" 1
610 1 29 THR HB 1 48 LEU QB . . 7.180 4.031 3.425 4.439 . 0 0 "[ . 1 . 2]" 1
611 1 29 THR HB 1 52 ILE HB . . 6.500 4.436 3.964 4.920 . 0 0 "[ . 1 . 2]" 1
612 1 29 THR HB 1 63 ILE QG . . 6.180 5.458 5.348 5.608 . 0 0 "[ . 1 . 2]" 1
613 1 29 THR MG 1 30 LYS H . . 4.500 3.721 3.629 3.839 . 0 0 "[ . 1 . 2]" 1
614 1 29 THR MG 1 32 LEU QB . . 7.080 4.437 4.119 4.633 . 0 0 "[ . 1 . 2]" 1
615 1 29 THR MG 1 52 ILE HA . . 7.500 4.559 4.252 4.860 . 0 0 "[ . 1 . 2]" 1
616 1 29 THR MG 1 52 ILE MD . . 8.500 1.921 1.740 2.128 . 0 0 "[ . 1 . 2]" 1
617 1 29 THR MG 1 52 ILE QG . . 6.380 2.015 1.811 2.261 . 0 0 "[ . 1 . 2]" 1
618 1 29 THR MG 1 52 ILE MG . . 5.900 2.403 2.082 2.682 . 0 0 "[ . 1 . 2]" 1
619 1 29 THR MG 1 62 THR H . . 6.100 4.552 3.909 5.064 . 0 0 "[ . 1 . 2]" 1
620 1 30 LYS H 1 30 LYS HB2 . . 3.700 3.273 2.235 3.549 . 0 0 "[ . 1 . 2]" 1
621 1 30 LYS H 1 30 LYS HB3 . . 3.700 2.575 2.232 3.533 . 0 0 "[ . 1 . 2]" 1
622 1 30 LYS H 1 30 LYS QD . . 5.500 3.434 3.020 4.064 . 0 0 "[ . 1 . 2]" 1
623 1 30 LYS H 1 30 LYS HG2 . . 4.100 2.650 2.064 3.805 . 0 0 "[ . 1 . 2]" 1
624 1 30 LYS H 1 30 LYS QG . . 3.810 2.378 2.051 2.636 . 0 0 "[ . 1 . 2]" 1
625 1 30 LYS H 1 30 LYS HG3 . . 4.100 3.487 2.350 3.969 . 0 0 "[ . 1 . 2]" 1
626 1 30 LYS H 1 31 GLU QB . . 5.500 4.530 4.247 4.747 . 0 0 "[ . 1 . 2]" 1
627 1 30 LYS H 1 31 GLU QG . . 6.700 4.504 3.998 6.019 . 0 0 "[ . 1 . 2]" 1
628 1 30 LYS H 1 32 LEU H . . 6.500 3.986 3.851 4.159 . 0 0 "[ . 1 . 2]" 1
629 1 30 LYS H 1 32 LEU QD . . 9.070 5.702 5.479 5.927 . 0 0 "[ . 1 . 2]" 1
630 1 30 LYS H 1 33 GLY H . . 5.400 4.947 4.748 5.169 . 0 0 "[ . 1 . 2]" 1
631 1 30 LYS H 1 52 ILE MG . . 7.500 5.002 4.761 5.283 . 0 0 "[ . 1 . 2]" 1
632 1 30 LYS QB 1 31 GLU HA . . 7.380 4.406 3.841 4.671 . 0 0 "[ . 1 . 2]" 1
633 1 30 LYS QB 1 31 GLU QG . . 8.380 4.303 3.295 6.285 . 0 0 "[ . 1 . 2]" 1
634 1 30 LYS HB2 1 31 GLU H . . 6.500 3.763 2.555 4.272 . 0 0 "[ . 1 . 2]" 1
635 1 30 LYS HB3 1 31 GLU H . . 6.500 3.823 3.346 4.040 . 0 0 "[ . 1 . 2]" 1
636 1 30 LYS QD 1 31 GLU H . . 7.000 4.134 3.766 4.846 . 0 0 "[ . 1 . 2]" 1
637 1 30 LYS QD 1 31 GLU QB . . 8.500 5.418 4.482 6.400 . 0 0 "[ . 1 . 2]" 1
638 1 30 LYS QG 1 31 GLU H . . 4.850 2.439 1.807 4.321 . 0 0 "[ . 1 . 2]" 1
639 1 30 LYS QG 1 34 THR HA . . 7.380 6.397 6.053 6.571 . 0 0 "[ . 1 . 2]" 1
640 1 30 LYS HG2 1 31 GLU H . . 5.400 2.643 1.933 5.144 . 0 0 "[ . 1 . 2]" 1
641 1 30 LYS HG3 1 31 GLU H . . 5.400 3.263 2.162 4.644 . 0 0 "[ . 1 . 2]" 1
642 1 31 GLU H 1 31 GLU QG . . 4.800 2.434 1.929 3.778 . 0 0 "[ . 1 . 2]" 1
643 1 31 GLU H 1 32 LEU H . . 4.200 2.664 2.524 2.863 . 0 0 "[ . 1 . 2]" 1
644 1 31 GLU H 1 32 LEU QB . . 5.880 4.349 4.192 4.563 . 0 0 "[ . 1 . 2]" 1
645 1 31 GLU H 1 33 GLY H . . 6.400 4.422 4.050 4.722 . 0 0 "[ . 1 . 2]" 1
646 1 31 GLU H 1 34 THR H . . 6.500 4.697 4.515 4.950 . 0 0 "[ . 1 . 2]" 1
647 1 31 GLU H 1 34 THR MG . . 7.500 5.763 5.268 6.269 . 0 0 "[ . 1 . 2]" 1
648 1 31 GLU HA 1 34 THR H . . 6.500 3.288 3.085 3.615 . 0 0 "[ . 1 . 2]" 1
649 1 31 GLU HA 1 34 THR HB . . 6.500 2.548 1.984 3.066 . 0 0 "[ . 1 . 2]" 1
650 1 31 GLU QB 1 32 LEU QB . . 6.580 4.019 3.830 4.241 . 0 0 "[ . 1 . 2]" 1
651 1 31 GLU QB 1 34 THR HB . . 7.500 4.007 3.611 4.589 . 0 0 "[ . 1 . 2]" 1
652 1 31 GLU QG 1 32 LEU H . . 7.000 4.242 3.252 4.590 . 0 0 "[ . 1 . 2]" 1
653 1 31 GLU QG 1 34 THR H . . 7.000 5.111 4.346 5.432 . 0 0 "[ . 1 . 2]" 1
654 1 32 LEU H 1 32 LEU HB2 . . 4.100 2.572 2.309 2.770 . 0 0 "[ . 1 . 2]" 1
655 1 32 LEU H 1 32 LEU HB3 . . 4.100 2.341 2.175 2.582 . 0 0 "[ . 1 . 2]" 1
656 1 32 LEU H 1 32 LEU QD . . 5.070 3.605 3.470 3.705 . 0 0 "[ . 1 . 2]" 1
657 1 32 LEU H 1 33 GLY H . . 4.600 2.666 2.551 2.738 . 0 0 "[ . 1 . 2]" 1
658 1 32 LEU H 1 33 GLY HA2 . . 6.500 5.240 5.151 5.300 . 0 0 "[ . 1 . 2]" 1
659 1 32 LEU H 1 33 GLY HA3 . . 6.500 4.878 4.798 4.967 . 0 0 "[ . 1 . 2]" 1
660 1 32 LEU H 1 34 THR H . . 4.700 3.757 3.554 3.934 . 0 0 "[ . 1 . 2]" 1
661 1 32 LEU H 1 34 THR MG . . 7.500 6.034 5.813 6.270 . 0 0 "[ . 1 . 2]" 1
662 1 32 LEU H 1 35 VAL H . . 6.500 5.045 4.685 5.312 . 0 0 "[ . 1 . 2]" 1
663 1 32 LEU H 1 35 VAL QG . . 9.060 4.886 4.343 5.558 . 0 0 "[ . 1 . 2]" 1
664 1 32 LEU H 1 36 MET QG . . 7.380 5.794 5.563 6.010 . 0 0 "[ . 1 . 2]" 1
665 1 32 LEU H 1 45 GLU QB . . 6.700 6.057 5.998 6.096 . 0 0 "[ . 1 . 2]" 1
666 1 32 LEU HA 1 34 THR H . . 6.500 4.043 3.889 4.489 . 0 0 "[ . 1 . 2]" 1
667 1 32 LEU HA 1 35 VAL H . . 4.500 3.698 3.481 4.014 . 0 0 "[ . 1 . 2]" 1
668 1 32 LEU QB 1 33 GLY H . . 4.420 2.560 2.270 2.872 . 0 0 "[ . 1 . 2]" 1
669 1 32 LEU QB 1 34 THR H . . 7.380 4.497 4.280 4.684 . 0 0 "[ . 1 . 2]" 1
670 1 32 LEU QB 1 52 ILE MG . . 8.380 2.770 2.607 2.962 . 0 0 "[ . 1 . 2]" 1
671 1 32 LEU HB2 1 33 GLY H . . 4.700 3.930 3.655 4.180 . 0 0 "[ . 1 . 2]" 1
672 1 32 LEU HB3 1 33 GLY H . . 4.700 2.595 2.293 2.926 . 0 0 "[ . 1 . 2]" 1
673 1 32 LEU QD 1 33 GLY H . . 5.770 2.960 2.320 3.751 . 0 0 "[ . 1 . 2]" 1
674 1 32 LEU QD 1 34 THR H . . 9.070 4.407 4.009 5.076 . 0 0 "[ . 1 . 2]" 1
675 1 32 LEU QD 1 34 THR HA . . 9.070 6.107 5.718 6.791 . 0 0 "[ . 1 . 2]" 1
676 1 32 LEU QD 1 35 VAL HB . . 9.070 4.148 3.165 5.324 . 0 0 "[ . 1 . 2]" 1
677 1 32 LEU QD 1 36 MET QB . . 7.350 3.790 3.181 4.872 . 0 0 "[ . 1 . 2]" 1
678 1 32 LEU QD 1 51 MET QB . . 7.610 2.970 2.632 3.512 . 0 0 "[ . 1 . 2]" 1
679 1 32 LEU QD 1 51 MET QG . . 6.850 4.042 3.600 4.478 . 0 0 "[ . 1 . 2]" 1
680 1 32 LEU QD 1 52 ILE MD . . 10.070 5.019 4.598 5.804 . 0 0 "[ . 1 . 2]" 1
681 1 32 LEU MD1 1 51 MET HB2 . . 9.250 3.924 3.077 5.533 . 0 0 "[ . 1 . 2]" 1
682 1 32 LEU MD1 1 51 MET HB3 . . 9.250 3.875 3.014 4.834 . 0 0 "[ . 1 . 2]" 1
683 1 32 LEU MD1 1 51 MET HG2 . . 8.150 5.622 4.937 6.686 . 0 0 "[ . 1 . 2]" 1
684 1 32 LEU MD1 1 51 MET HG3 . . 8.150 4.895 4.064 6.645 . 0 0 "[ . 1 . 2]" 1
685 1 32 LEU MD2 1 51 MET HB2 . . 9.250 4.421 2.959 5.560 . 0 0 "[ . 1 . 2]" 1
686 1 32 LEU MD2 1 51 MET HB3 . . 9.250 4.458 2.892 5.341 . 0 0 "[ . 1 . 2]" 1
687 1 32 LEU MD2 1 51 MET HG2 . . 8.150 6.103 4.208 6.739 . 0 0 "[ . 1 . 2]" 1
688 1 32 LEU MD2 1 51 MET HG3 . . 8.150 5.134 3.816 6.056 . 0 0 "[ . 1 . 2]" 1
689 1 33 GLY H 1 34 THR H . . 4.200 2.628 2.527 2.834 . 0 0 "[ . 1 . 2]" 1
690 1 33 GLY H 1 34 THR HB . . 5.800 4.803 4.638 5.028 . 0 0 "[ . 1 . 2]" 1
691 1 33 GLY H 1 34 THR MG . . 7.500 5.788 5.694 5.962 . 0 0 "[ . 1 . 2]" 1
692 1 33 GLY H 1 35 VAL H . . 5.300 4.626 4.439 4.804 . 0 0 "[ . 1 . 2]" 1
693 1 33 GLY H 1 35 VAL HB . . 6.500 5.971 5.529 6.580 0.080 16 0 "[ . 1 . 2]" 1
694 1 33 GLY H 1 48 LEU QD . . 9.070 4.439 3.922 4.824 . 0 0 "[ . 1 . 2]" 1
695 1 33 GLY H 1 48 LEU HG . . 6.500 4.028 3.281 4.573 . 0 0 "[ . 1 . 2]" 1
696 1 33 GLY QA 1 34 THR HA . . 6.780 4.075 4.045 4.104 . 0 0 "[ . 1 . 2]" 1
697 1 33 GLY QA 1 36 MET H . . 6.190 3.458 3.263 3.721 . 0 0 "[ . 1 . 2]" 1
698 1 33 GLY QA 1 37 ARG H . . 7.080 3.985 3.413 4.441 . 0 0 "[ . 1 . 2]" 1
699 1 33 GLY QA 1 48 LEU QD . . 6.710 3.273 2.837 3.665 . 0 0 "[ . 1 . 2]" 1
700 1 33 GLY HA2 1 36 MET H . . 6.500 3.541 3.331 3.841 . 0 0 "[ . 1 . 2]" 1
701 1 33 GLY HA2 1 43 PRO QG . . 7.500 2.978 2.659 3.280 . 0 0 "[ . 1 . 2]" 1
702 1 33 GLY HA2 1 48 LEU MD1 . . 8.440 4.144 3.668 4.762 . 0 0 "[ . 1 . 2]" 1
703 1 33 GLY HA2 1 48 LEU MD2 . . 8.440 3.797 3.252 4.219 . 0 0 "[ . 1 . 2]" 1
704 1 33 GLY HA3 1 36 MET H . . 6.500 4.856 4.678 5.050 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLY HA3 1 43 PRO QG . . 7.500 3.938 3.377 4.442 . 0 0 "[ . 1 . 2]" 1
706 1 33 GLY HA3 1 48 LEU MD1 . . 8.440 5.050 4.558 5.705 . 0 0 "[ . 1 . 2]" 1
707 1 33 GLY HA3 1 48 LEU MD2 . . 8.440 4.139 3.489 4.818 . 0 0 "[ . 1 . 2]" 1
708 1 34 THR H 1 34 THR HB . . 3.700 2.396 2.160 2.575 . 0 0 "[ . 1 . 2]" 1
709 1 34 THR H 1 34 THR MG . . 4.700 3.673 3.636 3.685 . 0 0 "[ . 1 . 2]" 1
710 1 34 THR H 1 35 VAL H . . 4.000 2.764 2.585 3.078 . 0 0 "[ . 1 . 2]" 1
711 1 34 THR H 1 35 VAL HA . . 6.500 5.285 5.162 5.528 . 0 0 "[ . 1 . 2]" 1
712 1 34 THR H 1 35 VAL HB . . 6.500 4.828 4.489 5.349 . 0 0 "[ . 1 . 2]" 1
713 1 34 THR H 1 35 VAL QG . . 7.360 4.057 3.558 4.554 . 0 0 "[ . 1 . 2]" 1
714 1 34 THR H 1 36 MET H . . 6.500 4.183 3.798 4.536 . 0 0 "[ . 1 . 2]" 1
715 1 34 THR H 1 36 MET QG . . 6.480 4.759 4.434 4.946 . 0 0 "[ . 1 . 2]" 1
716 1 34 THR H 1 37 ARG H . . 6.500 4.957 4.686 5.191 . 0 0 "[ . 1 . 2]" 1
717 1 34 THR HA 1 34 THR MG . . 3.600 2.383 2.205 2.554 . 0 0 "[ . 1 . 2]" 1
718 1 34 THR HA 1 37 ARG H . . 5.300 3.781 3.485 4.157 . 0 0 "[ . 1 . 2]" 1
719 1 34 THR HA 1 37 ARG HA . . 6.500 5.907 5.484 6.296 . 0 0 "[ . 1 . 2]" 1
720 1 34 THR HA 1 37 ARG QB . . 6.100 3.675 2.852 4.466 . 0 0 "[ . 1 . 2]" 1
721 1 34 THR HA 1 37 ARG HD2 . . 6.500 4.095 2.872 6.172 . 0 0 "[ . 1 . 2]" 1
722 1 34 THR HA 1 37 ARG HD3 . . 6.500 4.237 1.992 5.957 . 0 0 "[ . 1 . 2]" 1
723 1 34 THR HA 1 38 SER H . . 6.500 4.560 3.864 5.186 . 0 0 "[ . 1 . 2]" 1
724 1 34 THR HB 1 35 VAL H . . 4.000 2.472 2.288 2.693 . 0 0 "[ . 1 . 2]" 1
725 1 34 THR HB 1 35 VAL HA . . 6.500 4.348 4.259 4.572 . 0 0 "[ . 1 . 2]" 1
726 1 34 THR HB 1 35 VAL HB . . 6.500 4.524 3.841 4.974 . 0 0 "[ . 1 . 2]" 1
727 1 34 THR HB 1 35 VAL QG . . 7.360 3.415 2.712 4.179 . 0 0 "[ . 1 . 2]" 1
728 1 34 THR HB 1 36 MET H . . 6.200 5.043 4.701 5.183 . 0 0 "[ . 1 . 2]" 1
729 1 34 THR HB 1 36 MET QG . . 7.380 6.098 5.883 6.194 . 0 0 "[ . 1 . 2]" 1
730 1 34 THR MG 1 35 VAL H . . 4.800 3.442 2.914 3.792 . 0 0 "[ . 1 . 2]" 1
731 1 34 THR MG 1 36 MET H . . 7.500 5.292 4.862 5.645 . 0 0 "[ . 1 . 2]" 1
732 1 34 THR MG 1 37 ARG QD . . 8.380 4.205 3.395 5.468 . 0 0 "[ . 1 . 2]" 1
733 1 34 THR MG 1 37 ARG QG . . 7.900 4.322 3.186 5.689 . 0 0 "[ . 1 . 2]" 1
734 1 34 THR MG 1 38 SER H . . 5.900 4.520 4.037 4.811 . 0 0 "[ . 1 . 2]" 1
735 1 35 VAL H 1 35 VAL HB . . 3.600 2.361 2.137 2.583 . 0 0 "[ . 1 . 2]" 1
736 1 35 VAL H 1 36 MET H . . 4.300 2.787 2.583 3.017 . 0 0 "[ . 1 . 2]" 1
737 1 35 VAL H 1 36 MET HG2 . . 5.600 4.354 4.065 4.608 . 0 0 "[ . 1 . 2]" 1
738 1 35 VAL H 1 36 MET QG . . 5.380 4.196 3.947 4.404 . 0 0 "[ . 1 . 2]" 1
739 1 35 VAL H 1 36 MET HG3 . . 5.600 5.504 5.167 5.652 0.052 2 0 "[ . 1 . 2]" 1
740 1 35 VAL H 1 38 SER H . . 5.200 4.788 4.420 5.219 0.019 17 0 "[ . 1 . 2]" 1
741 1 35 VAL H 1 39 LEU QD . . 9.070 5.988 5.248 6.545 . 0 0 "[ . 1 . 2]" 1
742 1 35 VAL HA 1 37 ARG H . . 6.500 4.529 4.143 4.885 . 0 0 "[ . 1 . 2]" 1
743 1 35 VAL HA 1 38 SER H . . 6.500 3.250 3.164 3.388 . 0 0 "[ . 1 . 2]" 1
744 1 35 VAL HA 1 38 SER HB2 . . 6.500 2.463 1.962 3.257 . 0 0 "[ . 1 . 2]" 1
745 1 35 VAL HA 1 38 SER HB3 . . 6.500 3.222 2.461 4.160 . 0 0 "[ . 1 . 2]" 1
746 1 35 VAL HB 1 36 MET H . . 3.800 2.865 2.305 3.842 0.042 19 0 "[ . 1 . 2]" 1
747 1 35 VAL HB 1 36 MET HA . . 6.500 4.627 3.976 5.581 . 0 0 "[ . 1 . 2]" 1
748 1 35 VAL HB 1 36 MET QG . . 7.380 3.874 3.166 5.033 . 0 0 "[ . 1 . 2]" 1
749 1 35 VAL HB 1 38 SER H . . 6.500 5.424 5.158 5.669 . 0 0 "[ . 1 . 2]" 1
750 1 35 VAL HB 1 39 LEU H . . 6.500 6.384 5.949 6.702 0.202 14 0 "[ . 1 . 2]" 1
751 1 35 VAL QG 1 36 MET H . . 5.490 2.688 1.782 3.229 . 0 0 "[ . 1 . 2]" 1
752 1 35 VAL QG 1 36 MET HA . . 6.660 3.225 2.716 3.731 . 0 0 "[ . 1 . 2]" 1
753 1 35 VAL QG 1 36 MET QG . . 8.230 3.259 2.222 3.935 . 0 0 "[ . 1 . 2]" 1
754 1 35 VAL QG 1 37 ARG H . . 9.060 4.520 4.033 4.904 . 0 0 "[ . 1 . 2]" 1
755 1 35 VAL QG 1 38 SER H . . 9.060 4.048 3.825 4.257 . 0 0 "[ . 1 . 2]" 1
756 1 35 VAL QG 1 39 LEU H . . 6.990 4.282 4.092 4.565 . 0 0 "[ . 1 . 2]" 1
757 1 35 VAL QG 1 39 LEU QD . . 10.330 2.858 2.260 3.296 . 0 0 "[ . 1 . 2]" 1
758 1 35 VAL QG 1 39 LEU HG . . 9.060 3.231 2.827 3.684 . 0 0 "[ . 1 . 2]" 1
759 1 35 VAL MG1 1 36 MET H . . 5.900 2.820 1.786 3.545 . 0 0 "[ . 1 . 2]" 1
760 1 35 VAL MG1 1 36 MET HA . . 7.500 3.275 2.746 3.813 . 0 0 "[ . 1 . 2]" 1
761 1 35 VAL MG1 1 36 MET HG2 . . 9.250 3.476 2.249 4.429 . 0 0 "[ . 1 . 2]" 1
762 1 35 VAL MG1 1 36 MET HG3 . . 9.250 4.939 3.626 5.871 . 0 0 "[ . 1 . 2]" 1
763 1 35 VAL MG1 1 39 LEU H . . 7.500 4.588 4.273 5.159 . 0 0 "[ . 1 . 2]" 1
764 1 35 VAL MG2 1 36 MET H . . 5.900 3.824 3.479 4.077 . 0 0 "[ . 1 . 2]" 1
765 1 35 VAL MG2 1 36 MET HA . . 7.500 4.974 3.656 5.407 . 0 0 "[ . 1 . 2]" 1
766 1 35 VAL MG2 1 36 MET HG2 . . 9.250 4.787 4.239 5.131 . 0 0 "[ . 1 . 2]" 1
767 1 35 VAL MG2 1 36 MET HG3 . . 9.250 6.115 5.724 6.500 . 0 0 "[ . 1 . 2]" 1
768 1 35 VAL MG2 1 39 LEU H . . 7.500 5.718 4.360 6.380 . 0 0 "[ . 1 . 2]" 1
769 1 36 MET H 1 36 MET HG2 . . 3.800 1.963 1.877 2.159 . 0 0 "[ . 1 . 2]" 1
770 1 36 MET H 1 36 MET QG . . 3.550 1.947 1.864 2.128 . 0 0 "[ . 1 . 2]" 1
771 1 36 MET H 1 36 MET HG3 . . 3.800 3.252 3.148 3.364 . 0 0 "[ . 1 . 2]" 1
772 1 36 MET H 1 37 ARG H . . 4.500 3.085 2.988 3.178 . 0 0 "[ . 1 . 2]" 1
773 1 36 MET H 1 39 LEU QD . . 7.170 4.425 3.787 4.920 . 0 0 "[ . 1 . 2]" 1
774 1 36 MET H 1 39 LEU HG . . 5.900 5.376 4.910 5.853 . 0 0 "[ . 1 . 2]" 1
775 1 36 MET H 1 68 PHE HE2 . . 7.500 7.570 7.541 7.607 0.107 11 0 "[ . 1 . 2]" 1
776 1 36 MET HA 1 36 MET QG . . 3.650 2.702 2.576 2.782 . 0 0 "[ . 1 . 2]" 1
777 1 36 MET HA 1 41 GLN H . . 6.500 5.346 4.646 5.871 . 0 0 "[ . 1 . 2]" 1
778 1 36 MET QB 1 37 ARG HA . . 7.380 3.727 3.702 3.769 . 0 0 "[ . 1 . 2]" 1
779 1 36 MET QB 1 38 SER QB . . 7.130 5.475 5.221 5.736 . 0 0 "[ . 1 . 2]" 1
780 1 36 MET HB2 1 37 ARG H . . 6.500 2.350 2.156 2.588 . 0 0 "[ . 1 . 2]" 1
781 1 36 MET HB2 1 38 SER HB2 . . 8.250 6.467 5.880 7.369 . 0 0 "[ . 1 . 2]" 1
782 1 36 MET HB2 1 38 SER HB3 . . 8.250 7.011 6.578 7.521 . 0 0 "[ . 1 . 2]" 1
783 1 36 MET HB3 1 37 ARG H . . 6.500 3.349 3.137 3.631 . 0 0 "[ . 1 . 2]" 1
784 1 36 MET HB3 1 38 SER HB2 . . 8.250 7.148 6.601 7.963 . 0 0 "[ . 1 . 2]" 1
785 1 36 MET HB3 1 38 SER HB3 . . 8.250 7.339 6.909 8.044 . 0 0 "[ . 1 . 2]" 1
786 1 36 MET QG 1 37 ARG H . . 6.080 3.991 3.861 4.098 . 0 0 "[ . 1 . 2]" 1
787 1 36 MET QG 1 37 ARG QG . . 8.380 5.111 4.688 5.783 . 0 0 "[ . 1 . 2]" 1
788 1 36 MET QG 1 39 LEU QD . . 9.950 4.263 3.581 4.709 . 0 0 "[ . 1 . 2]" 1
789 1 36 MET QG 1 41 GLN QB . . 6.970 4.921 4.385 5.340 . 0 0 "[ . 1 . 2]" 1
790 1 36 MET QG 1 41 GLN QG . . 8.380 5.301 3.381 6.211 . 0 0 "[ . 1 . 2]" 1
791 1 36 MET QG 1 43 PRO QB . . 8.380 4.227 3.606 5.100 . 0 0 "[ . 1 . 2]" 1
792 1 36 MET QG 1 43 PRO QD . . 8.250 3.986 3.207 4.655 . 0 0 "[ . 1 . 2]" 1
793 1 36 MET QG 1 43 PRO QG . . 8.380 2.738 2.117 3.580 . 0 0 "[ . 1 . 2]" 1
794 1 36 MET QG 1 48 LEU QD . . 9.030 2.865 2.623 3.273 . 0 0 "[ . 1 . 2]" 1
795 1 36 MET HG2 1 41 GLN HB2 . . 7.950 6.206 5.730 6.809 . 0 0 "[ . 1 . 2]" 1
796 1 36 MET HG2 1 41 GLN HB3 . . 7.950 7.013 6.042 7.518 . 0 0 "[ . 1 . 2]" 1
797 1 36 MET HG2 1 48 LEU MD1 . . 10.640 4.186 3.768 4.517 . 0 0 "[ . 1 . 2]" 1
798 1 36 MET HG2 1 48 LEU MD2 . . 10.640 5.162 4.749 5.611 . 0 0 "[ . 1 . 2]" 1
799 1 36 MET HG3 1 41 GLN HB2 . . 7.950 5.769 4.773 6.287 . 0 0 "[ . 1 . 2]" 1
800 1 36 MET HG3 1 41 GLN HB3 . . 7.950 6.367 5.305 7.121 . 0 0 "[ . 1 . 2]" 1
801 1 36 MET HG3 1 48 LEU MD1 . . 10.640 3.111 2.792 3.603 . 0 0 "[ . 1 . 2]" 1
802 1 36 MET HG3 1 48 LEU MD2 . . 10.640 3.713 3.295 4.157 . 0 0 "[ . 1 . 2]" 1
803 1 37 ARG H 1 37 ARG QD . . 4.980 3.671 2.421 4.403 . 0 0 "[ . 1 . 2]" 1
804 1 37 ARG H 1 38 SER H . . 3.700 2.761 2.627 2.983 . 0 0 "[ . 1 . 2]" 1
805 1 37 ARG H 1 38 SER QB . . 7.380 4.394 4.262 4.527 . 0 0 "[ . 1 . 2]" 1
806 1 37 ARG H 1 39 LEU H . . 6.100 4.063 3.842 4.212 . 0 0 "[ . 1 . 2]" 1
807 1 37 ARG H 1 39 LEU QD . . 9.070 5.219 4.578 5.610 . 0 0 "[ . 1 . 2]" 1
808 1 37 ARG H 1 39 LEU HG . . 6.500 5.845 5.314 6.431 . 0 0 "[ . 1 . 2]" 1
809 1 37 ARG H 1 41 GLN H . . 6.000 5.204 4.146 6.042 0.042 7 0 "[ . 1 . 2]" 1
810 1 37 ARG H 1 41 GLN QB . . 7.380 4.768 3.932 5.711 . 0 0 "[ . 1 . 2]" 1
811 1 37 ARG H 1 42 ASN HA . . 6.500 4.498 3.958 5.045 . 0 0 "[ . 1 . 2]" 1
812 1 37 ARG H 1 43 PRO QD . . 7.380 3.359 2.786 4.150 . 0 0 "[ . 1 . 2]" 1
813 1 37 ARG HA 1 37 ARG QD . . 4.180 3.748 3.501 3.851 . 0 0 "[ . 1 . 2]" 1
814 1 37 ARG HA 1 39 LEU H . . 5.900 3.672 3.497 3.922 . 0 0 "[ . 1 . 2]" 1
815 1 37 ARG HA 1 40 GLY H . . 5.000 3.425 2.735 4.801 . 0 0 "[ . 1 . 2]" 1
816 1 37 ARG HA 1 40 GLY QA . . 7.380 4.295 3.698 5.117 . 0 0 "[ . 1 . 2]" 1
817 1 37 ARG HA 1 41 GLN H . . 4.200 2.989 1.934 4.212 0.012 7 0 "[ . 1 . 2]" 1
818 1 37 ARG HA 1 41 GLN HA . . 6.500 4.541 3.891 5.263 . 0 0 "[ . 1 . 2]" 1
819 1 37 ARG HA 1 42 ASN HA . . 6.500 3.282 2.546 4.126 . 0 0 "[ . 1 . 2]" 1
820 1 37 ARG HA 1 42 ASN QD . . 7.370 3.394 2.469 3.949 . 0 0 "[ . 1 . 2]" 1
821 1 37 ARG HA 1 43 PRO QD . . 7.380 3.228 2.341 4.340 . 0 0 "[ . 1 . 2]" 1
822 1 37 ARG QB 1 38 SER HA . . 7.500 3.966 3.670 4.562 . 0 0 "[ . 1 . 2]" 1
823 1 37 ARG QB 1 38 SER QB . . 7.380 4.327 3.799 5.065 . 0 0 "[ . 1 . 2]" 1
824 1 37 ARG QB 1 39 LEU H . . 6.200 4.480 4.237 4.948 . 0 0 "[ . 1 . 2]" 1
825 1 37 ARG QB 1 40 GLY H . . 7.500 4.660 4.242 5.295 . 0 0 "[ . 1 . 2]" 1
826 1 37 ARG QB 1 42 ASN QD . . 8.370 2.793 1.692 4.481 . 0 0 "[ . 1 . 2]" 1
827 1 37 ARG QD 1 42 ASN HA . . 7.380 3.899 2.692 5.839 . 0 0 "[ . 1 . 2]" 1
828 1 37 ARG QD 1 42 ASN QD . . 7.260 3.126 1.918 4.947 . 0 0 "[ . 1 . 2]" 1
829 1 37 ARG QD 1 43 PRO QD . . 8.250 4.331 2.829 6.598 . 0 0 "[ . 1 . 2]" 1
830 1 37 ARG HD2 1 38 SER H . . 6.500 4.251 2.191 5.932 . 0 0 "[ . 1 . 2]" 1
831 1 37 ARG HD2 1 42 ASN HD21 . . 8.230 4.682 2.755 7.083 . 0 0 "[ . 1 . 2]" 1
832 1 37 ARG HD2 1 42 ASN HD22 . . 8.230 4.604 2.067 6.337 . 0 0 "[ . 1 . 2]" 1
833 1 37 ARG HD3 1 38 SER H . . 6.500 4.824 3.304 6.384 . 0 0 "[ . 1 . 2]" 1
834 1 37 ARG HD3 1 42 ASN HD21 . . 8.230 4.043 2.683 6.597 . 0 0 "[ . 1 . 2]" 1
835 1 37 ARG HD3 1 42 ASN HD22 . . 8.230 3.797 1.955 6.549 . 0 0 "[ . 1 . 2]" 1
836 1 37 ARG QG 1 41 GLN H . . 7.500 5.167 3.642 6.686 . 0 0 "[ . 1 . 2]" 1
837 1 38 SER H 1 38 SER HB2 . . 3.500 2.135 2.031 2.515 . 0 0 "[ . 1 . 2]" 1
838 1 38 SER H 1 38 SER HB3 . . 3.500 2.980 2.429 3.426 . 0 0 "[ . 1 . 2]" 1
839 1 38 SER H 1 39 LEU H . . 4.800 2.764 2.501 2.911 . 0 0 "[ . 1 . 2]" 1
840 1 38 SER H 1 39 LEU HA . . 6.500 5.290 5.090 5.419 . 0 0 "[ . 1 . 2]" 1
841 1 38 SER H 1 39 LEU QB . . 7.500 4.742 4.455 4.936 . 0 0 "[ . 1 . 2]" 1
842 1 38 SER H 1 39 LEU QD . . 9.070 4.732 4.282 4.990 . 0 0 "[ . 1 . 2]" 1
843 1 38 SER H 1 39 LEU HG . . 4.800 4.604 4.327 4.806 0.006 4 0 "[ . 1 . 2]" 1
844 1 38 SER H 1 40 GLY H . . 6.500 4.475 4.077 5.012 . 0 0 "[ . 1 . 2]" 1
845 1 38 SER H 1 40 GLY QA . . 7.380 5.855 5.599 6.179 . 0 0 "[ . 1 . 2]" 1
846 1 38 SER HA 1 39 LEU HG . . 6.500 5.355 5.231 5.622 . 0 0 "[ . 1 . 2]" 1
847 1 38 SER HA 1 40 GLY H . . 5.700 4.348 3.266 5.380 . 0 0 "[ . 1 . 2]" 1
848 1 38 SER HA 1 40 GLY QA . . 7.380 5.139 4.741 5.653 . 0 0 "[ . 1 . 2]" 1
849 1 38 SER QB 1 39 LEU QD . . 7.350 3.557 3.157 3.839 . 0 0 "[ . 1 . 2]" 1
850 1 38 SER QB 1 40 GLY H . . 6.190 4.869 4.474 5.468 . 0 0 "[ . 1 . 2]" 1
851 1 38 SER HB2 1 40 GLY H . . 6.500 5.718 5.305 6.339 . 0 0 "[ . 1 . 2]" 1
852 1 38 SER HB3 1 40 GLY H . . 6.500 5.286 4.806 6.229 . 0 0 "[ . 1 . 2]" 1
853 1 39 LEU H 1 39 LEU HG . . 3.300 2.679 2.475 2.900 . 0 0 "[ . 1 . 2]" 1
854 1 39 LEU H 1 40 GLY H . . 4.000 2.612 2.216 3.305 . 0 0 "[ . 1 . 2]" 1
855 1 39 LEU H 1 40 GLY QA . . 6.680 4.389 4.211 4.695 . 0 0 "[ . 1 . 2]" 1
856 1 39 LEU H 1 41 GLN H . . 4.600 3.987 3.524 4.389 . 0 0 "[ . 1 . 2]" 1
857 1 39 LEU H 1 41 GLN HB2 . . 6.500 5.167 3.775 6.656 0.156 9 0 "[ . 1 . 2]" 1
858 1 39 LEU H 1 41 GLN HB3 . . 6.500 6.270 5.387 6.612 0.112 14 0 "[ . 1 . 2]" 1
859 1 39 LEU H 1 41 GLN QG . . 7.500 4.818 3.581 5.952 . 0 0 "[ . 1 . 2]" 1
860 1 39 LEU H 1 42 ASN QD . . 7.370 6.339 5.646 6.594 . 0 0 "[ . 1 . 2]" 1
861 1 39 LEU HA 1 39 LEU MD1 . . 4.500 3.853 3.797 3.894 . 0 0 "[ . 1 . 2]" 1
862 1 39 LEU HA 1 39 LEU QD . . 3.670 2.108 1.948 2.534 . 0 0 "[ . 1 . 2]" 1
863 1 39 LEU HA 1 39 LEU MD2 . . 4.500 2.120 1.954 2.570 . 0 0 "[ . 1 . 2]" 1
864 1 39 LEU HA 1 39 LEU HG . . 3.900 2.905 2.582 3.183 . 0 0 "[ . 1 . 2]" 1
865 1 39 LEU HA 1 40 GLY QA . . 4.680 4.194 4.002 4.265 . 0 0 "[ . 1 . 2]" 1
866 1 39 LEU HA 1 41 GLN QG . . 7.000 5.758 5.020 6.298 . 0 0 "[ . 1 . 2]" 1
867 1 39 LEU QB 1 40 GLY H . . 7.500 2.944 2.193 3.973 . 0 0 "[ . 1 . 2]" 1
868 1 39 LEU QD 1 40 GLY H . . 6.370 4.150 3.837 4.621 . 0 0 "[ . 1 . 2]" 1
869 1 39 LEU QD 1 41 GLN H . . 7.170 4.851 4.235 5.402 . 0 0 "[ . 1 . 2]" 1
870 1 39 LEU QD 1 68 PHE HZ . . 9.070 5.636 4.914 6.399 . 0 0 "[ . 1 . 2]" 1
871 1 40 GLY H 1 41 GLN QG . . 7.500 3.955 2.474 5.811 . 0 0 "[ . 1 . 2]" 1
872 1 40 GLY H 1 42 ASN QB . . 8.380 6.503 5.531 7.246 . 0 0 "[ . 1 . 2]" 1
873 1 40 GLY H 1 42 ASN QD . . 7.370 5.375 4.194 6.324 . 0 0 "[ . 1 . 2]" 1
874 1 41 GLN H 1 42 ASN H . . 6.400 3.981 1.860 4.663 . 0 0 "[ . 1 . 2]" 1
875 1 41 GLN H 1 43 PRO HD2 . . 6.500 5.444 4.462 5.955 . 0 0 "[ . 1 . 2]" 1
876 1 41 GLN H 1 43 PRO HD3 . . 6.500 4.368 3.251 4.825 . 0 0 "[ . 1 . 2]" 1
877 1 41 GLN HA 1 42 ASN HA . . 6.100 4.685 4.370 5.324 . 0 0 "[ . 1 . 2]" 1
878 1 41 GLN HA 1 42 ASN QB . . 5.680 3.984 3.761 4.589 . 0 0 "[ . 1 . 2]" 1
879 1 41 GLN HA 1 43 PRO HD2 . . 6.500 5.546 5.136 6.015 . 0 0 "[ . 1 . 2]" 1
880 1 41 GLN HA 1 43 PRO HD3 . . 6.500 4.055 3.614 4.389 . 0 0 "[ . 1 . 2]" 1
881 1 41 GLN HA 1 43 PRO QG . . 7.500 5.448 5.053 5.647 . 0 0 "[ . 1 . 2]" 1
882 1 41 GLN QB 1 42 ASN HA . . 6.340 3.984 3.706 4.335 . 0 0 "[ . 1 . 2]" 1
883 1 41 GLN QB 1 43 PRO QD . . 6.070 2.066 1.933 2.356 . 0 0 "[ . 1 . 2]" 1
884 1 41 GLN QB 1 43 PRO QG . . 8.380 2.954 2.664 3.168 . 0 0 "[ . 1 . 2]" 1
885 1 41 GLN HB2 1 42 ASN H . . 5.600 3.079 2.161 3.667 . 0 0 "[ . 1 . 2]" 1
886 1 41 GLN HB2 1 42 ASN HA . . 6.500 4.531 4.052 5.251 . 0 0 "[ . 1 . 2]" 1
887 1 41 GLN HB2 1 43 PRO HD2 . . 6.500 4.063 3.622 4.907 . 0 0 "[ . 1 . 2]" 1
888 1 41 GLN HB2 1 43 PRO HD3 . . 6.500 2.571 1.972 3.266 . 0 0 "[ . 1 . 2]" 1
889 1 41 GLN HB3 1 42 ASN H . . 5.600 2.757 1.936 3.913 . 0 0 "[ . 1 . 2]" 1
890 1 41 GLN HB3 1 42 ASN HA . . 6.500 4.665 3.866 5.640 . 0 0 "[ . 1 . 2]" 1
891 1 41 GLN HB3 1 43 PRO HD2 . . 6.500 4.364 3.632 5.754 . 0 0 "[ . 1 . 2]" 1
892 1 41 GLN HB3 1 43 PRO HD3 . . 6.500 2.666 1.958 4.045 . 0 0 "[ . 1 . 2]" 1
893 1 41 GLN QG 1 42 ASN H . . 6.300 4.060 3.611 4.552 . 0 0 "[ . 1 . 2]" 1
894 1 41 GLN QG 1 42 ASN HB2 . . 7.500 5.895 5.496 6.482 . 0 0 "[ . 1 . 2]" 1
895 1 41 GLN QG 1 42 ASN HB3 . . 7.500 6.579 6.094 6.745 . 0 0 "[ . 1 . 2]" 1
896 1 41 GLN QG 1 43 PRO QB . . 8.500 5.158 4.276 5.871 . 0 0 "[ . 1 . 2]" 1
897 1 41 GLN QG 1 43 PRO HD2 . . 7.300 5.050 3.094 5.966 . 0 0 "[ . 1 . 2]" 1
898 1 41 GLN QG 1 43 PRO QD . . 6.950 3.674 2.169 4.325 . 0 0 "[ . 1 . 2]" 1
899 1 41 GLN QG 1 43 PRO HD3 . . 7.300 3.774 2.215 4.439 . 0 0 "[ . 1 . 2]" 1
900 1 41 GLN QG 1 43 PRO QG . . 8.500 4.022 2.502 4.789 . 0 0 "[ . 1 . 2]" 1
901 1 42 ASN H 1 43 PRO HD2 . . 5.200 3.525 2.851 4.216 . 0 0 "[ . 1 . 2]" 1
902 1 42 ASN H 1 43 PRO HD3 . . 5.200 2.280 1.925 3.037 . 0 0 "[ . 1 . 2]" 1
903 1 42 ASN H 1 43 PRO QG . . 6.200 4.039 3.722 4.696 . 0 0 "[ . 1 . 2]" 1
904 1 42 ASN HA 1 43 PRO HA . . 4.700 4.621 4.583 4.645 . 0 0 "[ . 1 . 2]" 1
905 1 42 ASN QB 1 43 PRO QD . . 7.320 3.804 3.776 3.830 . 0 0 "[ . 1 . 2]" 1
906 1 42 ASN QB 1 44 THR H . . 7.380 6.359 6.131 6.500 . 0 0 "[ . 1 . 2]" 1
907 1 42 ASN HB2 1 43 PRO HD2 . . 8.250 5.062 5.014 5.114 . 0 0 "[ . 1 . 2]" 1
908 1 42 ASN HB2 1 43 PRO HD3 . . 8.250 4.588 4.491 4.715 . 0 0 "[ . 1 . 2]" 1
909 1 42 ASN HB3 1 43 PRO HD2 . . 8.250 4.886 4.577 5.010 . 0 0 "[ . 1 . 2]" 1
910 1 42 ASN HB3 1 43 PRO HD3 . . 8.250 4.738 4.640 4.871 . 0 0 "[ . 1 . 2]" 1
911 1 42 ASN QD 1 43 PRO HA . . 7.370 6.381 6.126 6.572 . 0 0 "[ . 1 . 2]" 1
912 1 43 PRO HA 1 44 THR MG . . 7.500 3.663 3.542 3.802 . 0 0 "[ . 1 . 2]" 1
913 1 43 PRO HA 1 48 LEU HG . . 6.500 6.496 6.374 6.527 0.027 6 0 "[ . 1 . 2]" 1
914 1 43 PRO QB 1 44 THR HA . . 7.380 4.253 4.172 4.319 . 0 0 "[ . 1 . 2]" 1
915 1 43 PRO QB 1 48 LEU QB . . 8.180 4.400 4.321 4.489 . 0 0 "[ . 1 . 2]" 1
916 1 43 PRO QB 1 48 LEU QD . . 7.850 1.822 1.755 1.981 . 0 0 "[ . 1 . 2]" 1
917 1 43 PRO QB 1 48 LEU HG . . 4.480 3.739 3.690 3.790 . 0 0 "[ . 1 . 2]" 1
918 1 43 PRO HB2 1 48 LEU MD1 . . 10.140 4.017 3.829 4.325 . 0 0 "[ . 1 . 2]" 1
919 1 43 PRO HB2 1 48 LEU MD2 . . 10.140 1.847 1.780 2.013 . 0 0 "[ . 1 . 2]" 1
920 1 43 PRO HB3 1 48 LEU MD1 . . 10.140 4.638 4.387 4.992 . 0 0 "[ . 1 . 2]" 1
921 1 43 PRO HB3 1 48 LEU MD2 . . 10.140 2.863 2.752 3.038 . 0 0 "[ . 1 . 2]" 1
922 1 43 PRO QD 1 48 LEU QD . . 6.650 4.067 3.678 4.235 . 0 0 "[ . 1 . 2]" 1
923 1 43 PRO HD2 1 48 LEU MD1 . . 7.850 6.035 5.374 6.295 . 0 0 "[ . 1 . 2]" 1
924 1 43 PRO HD2 1 48 LEU MD2 . . 7.850 4.547 4.094 4.785 . 0 0 "[ . 1 . 2]" 1
925 1 43 PRO HD3 1 48 LEU MD1 . . 7.850 6.263 5.682 6.450 . 0 0 "[ . 1 . 2]" 1
926 1 43 PRO HD3 1 48 LEU MD2 . . 7.850 4.922 4.502 5.116 . 0 0 "[ . 1 . 2]" 1
927 1 43 PRO QG 1 48 LEU HA . . 7.500 6.163 5.557 6.407 . 0 0 "[ . 1 . 2]" 1
928 1 43 PRO QG 1 48 LEU QD . . 8.670 2.585 2.123 2.785 . 0 0 "[ . 1 . 2]" 1
929 1 44 THR H 1 45 GLU H . . 6.500 4.537 4.463 4.579 . 0 0 "[ . 1 . 2]" 1
930 1 44 THR H 1 46 ALA H . . 6.500 4.728 4.523 4.949 . 0 0 "[ . 1 . 2]" 1
931 1 44 THR H 1 47 GLU H . . 4.700 3.987 3.705 4.244 . 0 0 "[ . 1 . 2]" 1
932 1 44 THR H 1 47 GLU HA . . 6.500 5.929 5.574 6.170 . 0 0 "[ . 1 . 2]" 1
933 1 44 THR H 1 47 GLU HB2 . . 4.900 3.041 2.677 3.274 . 0 0 "[ . 1 . 2]" 1
934 1 44 THR H 1 47 GLU HB3 . . 4.900 4.543 4.174 4.813 . 0 0 "[ . 1 . 2]" 1
935 1 44 THR H 1 47 GLU QG . . 4.800 3.896 3.555 4.122 . 0 0 "[ . 1 . 2]" 1
936 1 44 THR H 1 48 LEU H . . 5.200 4.378 4.164 4.510 . 0 0 "[ . 1 . 2]" 1
937 1 44 THR H 1 48 LEU QD . . 9.070 2.939 2.641 3.179 . 0 0 "[ . 1 . 2]" 1
938 1 44 THR H 1 48 LEU HG . . 6.500 5.497 5.199 5.761 . 0 0 "[ . 1 . 2]" 1
939 1 44 THR HA 1 44 THR MG . . 3.400 2.255 2.134 2.354 . 0 0 "[ . 1 . 2]" 1
940 1 44 THR HA 1 45 GLU H . . 3.600 2.256 2.209 2.324 . 0 0 "[ . 1 . 2]" 1
941 1 44 THR HA 1 45 GLU HA . . 6.500 4.227 4.216 4.241 . 0 0 "[ . 1 . 2]" 1
942 1 44 THR HA 1 45 GLU QB . . 6.500 4.332 4.294 4.350 . 0 0 "[ . 1 . 2]" 1
943 1 44 THR HA 1 45 GLU QG . . 7.500 4.208 3.968 4.668 . 0 0 "[ . 1 . 2]" 1
944 1 44 THR HA 1 46 ALA H . . 4.900 3.771 3.696 3.874 . 0 0 "[ . 1 . 2]" 1
945 1 44 THR HA 1 48 LEU QD . . 8.770 4.142 3.907 4.566 . 0 0 "[ . 1 . 2]" 1
946 1 44 THR HA 1 48 LEU HG . . 6.500 6.288 6.099 6.515 0.015 6 0 "[ . 1 . 2]" 1
947 1 44 THR HB 1 45 GLU H . . 3.300 3.104 2.882 3.280 . 0 0 "[ . 1 . 2]" 1
948 1 44 THR HB 1 45 GLU QB . . 7.500 5.105 4.977 5.258 . 0 0 "[ . 1 . 2]" 1
949 1 44 THR HB 1 46 ALA H . . 4.600 2.365 2.346 2.456 . 0 0 "[ . 1 . 2]" 1
950 1 44 THR HB 1 46 ALA MB . . 6.100 2.670 2.442 2.927 . 0 0 "[ . 1 . 2]" 1
951 1 44 THR HB 1 47 GLU H . . 6.500 3.186 2.750 3.474 . 0 0 "[ . 1 . 2]" 1
952 1 44 THR HB 1 47 GLU QB . . 7.380 4.259 3.687 4.528 . 0 0 "[ . 1 . 2]" 1
953 1 44 THR HB 1 47 GLU QG . . 7.200 4.293 3.852 4.913 . 0 0 "[ . 1 . 2]" 1
954 1 44 THR MG 1 45 GLU H . . 4.500 3.701 3.668 3.751 . 0 0 "[ . 1 . 2]" 1
955 1 44 THR MG 1 47 GLU QG . . 7.100 4.225 3.870 4.755 . 0 0 "[ . 1 . 2]" 1
956 1 45 GLU H 1 46 ALA H . . 4.200 2.640 2.551 2.775 . 0 0 "[ . 1 . 2]" 1
957 1 45 GLU H 1 46 ALA HA . . 6.300 5.127 5.041 5.252 . 0 0 "[ . 1 . 2]" 1
958 1 45 GLU H 1 47 GLU H . . 6.500 4.764 4.627 4.895 . 0 0 "[ . 1 . 2]" 1
959 1 45 GLU H 1 48 LEU H . . 6.200 4.921 4.822 5.013 . 0 0 "[ . 1 . 2]" 1
960 1 45 GLU H 1 48 LEU QB . . 7.380 4.744 4.564 4.904 . 0 0 "[ . 1 . 2]" 1
961 1 45 GLU H 1 48 LEU QD . . 7.770 4.434 4.150 4.846 . 0 0 "[ . 1 . 2]" 1
962 1 45 GLU HA 1 48 LEU QB . . 7.380 2.378 2.122 2.587 . 0 0 "[ . 1 . 2]" 1
963 1 45 GLU HA 1 48 LEU QD . . 6.670 3.326 3.064 3.636 . 0 0 "[ . 1 . 2]" 1
964 1 45 GLU QB 1 48 LEU QB . . 8.380 3.919 3.684 4.118 . 0 0 "[ . 1 . 2]" 1
965 1 45 GLU QG 1 48 LEU QD . . 9.570 5.295 5.081 5.559 . 0 0 "[ . 1 . 2]" 1
966 1 46 ALA H 1 46 ALA MB . . 3.400 2.056 1.952 2.169 . 0 0 "[ . 1 . 2]" 1
967 1 46 ALA H 1 47 GLU H . . 3.700 2.736 2.681 2.816 . 0 0 "[ . 1 . 2]" 1
968 1 46 ALA H 1 47 GLU QB . . 6.080 4.454 4.354 4.570 . 0 0 "[ . 1 . 2]" 1
969 1 46 ALA H 1 47 GLU QG . . 5.700 4.833 4.423 5.147 . 0 0 "[ . 1 . 2]" 1
970 1 46 ALA H 1 48 LEU H . . 6.500 3.869 3.774 3.951 . 0 0 "[ . 1 . 2]" 1
971 1 46 ALA H 1 48 LEU QB . . 7.380 4.687 4.559 4.808 . 0 0 "[ . 1 . 2]" 1
972 1 46 ALA H 1 48 LEU QD . . 8.970 4.534 4.369 4.700 . 0 0 "[ . 1 . 2]" 1
973 1 46 ALA H 1 49 GLN HB2 . . 6.500 4.553 4.362 4.752 . 0 0 "[ . 1 . 2]" 1
974 1 46 ALA H 1 49 GLN QB . . 5.960 4.349 4.208 4.483 . 0 0 "[ . 1 . 2]" 1
975 1 46 ALA H 1 49 GLN HB3 . . 6.500 5.527 5.486 5.575 . 0 0 "[ . 1 . 2]" 1
976 1 46 ALA H 1 49 GLN QG . . 7.380 6.400 6.154 6.618 . 0 0 "[ . 1 . 2]" 1
977 1 46 ALA HA 1 48 LEU QB . . 7.380 5.215 5.116 5.341 . 0 0 "[ . 1 . 2]" 1
978 1 46 ALA HA 1 49 GLN HB2 . . 4.600 2.361 2.087 2.678 . 0 0 "[ . 1 . 2]" 1
979 1 46 ALA HA 1 49 GLN QB . . 4.220 2.278 2.050 2.531 . 0 0 "[ . 1 . 2]" 1
980 1 46 ALA HA 1 49 GLN HB3 . . 4.600 3.036 2.934 3.152 . 0 0 "[ . 1 . 2]" 1
981 1 46 ALA HA 1 49 GLN QG . . 7.280 4.293 4.042 4.528 . 0 0 "[ . 1 . 2]" 1
982 1 46 ALA MB 1 47 GLU H . . 3.400 2.335 2.173 2.592 . 0 0 "[ . 1 . 2]" 1
983 1 46 ALA MB 1 47 GLU QB . . 7.380 4.038 3.914 4.186 . 0 0 "[ . 1 . 2]" 1
984 1 46 ALA MB 1 47 GLU QG . . 8.300 3.349 3.109 3.619 . 0 0 "[ . 1 . 2]" 1
985 1 46 ALA MB 1 48 LEU H . . 7.500 4.345 4.283 4.422 . 0 0 "[ . 1 . 2]" 1
986 1 47 GLU H 1 47 GLU QB . . 3.720 2.239 2.147 2.393 . 0 0 "[ . 1 . 2]" 1
987 1 47 GLU H 1 47 GLU QG . . 4.100 2.573 2.132 2.795 . 0 0 "[ . 1 . 2]" 1
988 1 47 GLU H 1 48 LEU H . . 3.800 2.779 2.589 2.868 . 0 0 "[ . 1 . 2]" 1
989 1 47 GLU H 1 49 GLN H . . 5.700 3.895 3.783 3.976 . 0 0 "[ . 1 . 2]" 1
990 1 47 GLU HA 1 47 GLU QG . . 3.700 2.279 2.042 2.682 . 0 0 "[ . 1 . 2]" 1
991 1 47 GLU HA 1 48 LEU QB . . 7.380 5.392 5.363 5.435 . 0 0 "[ . 1 . 2]" 1
992 1 47 GLU HA 1 48 LEU QD . . 9.070 4.235 4.129 4.329 . 0 0 "[ . 1 . 2]" 1
993 1 47 GLU HA 1 50 ASP H . . 3.900 3.723 3.501 3.896 . 0 0 "[ . 1 . 2]" 1
994 1 47 GLU HA 1 50 ASP HB2 . . 4.600 4.111 3.572 4.464 . 0 0 "[ . 1 . 2]" 1
995 1 47 GLU HA 1 50 ASP QB . . 4.370 3.672 3.303 3.959 . 0 0 "[ . 1 . 2]" 1
996 1 47 GLU HA 1 50 ASP HB3 . . 4.600 4.201 3.679 4.579 . 0 0 "[ . 1 . 2]" 1
997 1 47 GLU HA 1 51 MET QG . . 7.380 5.516 4.886 6.551 . 0 0 "[ . 1 . 2]" 1
998 1 47 GLU QB 1 48 LEU HA . . 7.380 3.884 3.845 3.917 . 0 0 "[ . 1 . 2]" 1
999 1 47 GLU QB 1 51 MET QG . . 7.750 4.624 4.045 5.505 . 0 0 "[ . 1 . 2]" 1
1000 1 47 GLU QG 1 48 LEU H . . 7.500 4.323 4.164 4.441 . 0 0 "[ . 1 . 2]" 1
1001 1 47 GLU QG 1 49 GLN H . . 7.500 5.463 5.274 5.625 . 0 0 "[ . 1 . 2]" 1
1002 1 48 LEU H 1 48 LEU HG . . 4.200 3.936 3.767 4.021 . 0 0 "[ . 1 . 2]" 1
1003 1 48 LEU H 1 49 GLN H . . 3.600 2.487 2.480 2.493 . 0 0 "[ . 1 . 2]" 1
1004 1 48 LEU H 1 49 GLN HA . . 6.500 4.953 4.924 4.986 . 0 0 "[ . 1 . 2]" 1
1005 1 48 LEU H 1 49 GLN QB . . 7.380 4.189 4.171 4.209 . 0 0 "[ . 1 . 2]" 1
1006 1 48 LEU H 1 50 ASP QB . . 7.380 5.318 5.173 5.437 . 0 0 "[ . 1 . 2]" 1
1007 1 48 LEU HA 1 49 GLN HA . . 5.000 4.829 4.780 4.881 . 0 0 "[ . 1 . 2]" 1
1008 1 48 LEU HA 1 51 MET QB . . 7.380 2.348 1.997 2.643 . 0 0 "[ . 1 . 2]" 1
1009 1 48 LEU HA 1 51 MET QG . . 7.380 2.763 2.011 3.836 . 0 0 "[ . 1 . 2]" 1
1010 1 48 LEU QB 1 49 GLN H . . 5.080 3.027 2.954 3.142 . 0 0 "[ . 1 . 2]" 1
1011 1 48 LEU QB 1 49 GLN HA . . 5.080 3.975 3.945 4.011 . 0 0 "[ . 1 . 2]" 1
1012 1 48 LEU QB 1 49 GLN QB . . 8.250 4.339 4.240 4.409 . 0 0 "[ . 1 . 2]" 1
1013 1 48 LEU QB 1 49 GLN QG . . 7.320 5.409 5.343 5.514 . 0 0 "[ . 1 . 2]" 1
1014 1 48 LEU QB 1 50 ASP H . . 5.680 4.783 4.747 4.837 . 0 0 "[ . 1 . 2]" 1
1015 1 48 LEU QB 1 51 MET H . . 6.880 4.307 4.168 4.497 . 0 0 "[ . 1 . 2]" 1
1016 1 48 LEU QB 1 51 MET QB . . 7.950 3.360 3.112 3.685 . 0 0 "[ . 1 . 2]" 1
1017 1 48 LEU QB 1 52 ILE H . . 5.780 3.847 3.609 4.113 . 0 0 "[ . 1 . 2]" 1
1018 1 48 LEU QB 1 52 ILE HB . . 7.380 5.668 5.433 5.861 . 0 0 "[ . 1 . 2]" 1
1019 1 48 LEU QB 1 52 ILE MG . . 7.880 2.940 2.594 3.101 . 0 0 "[ . 1 . 2]" 1
1020 1 48 LEU HB2 1 49 GLN HG2 . . 8.250 7.240 7.111 7.325 . 0 0 "[ . 1 . 2]" 1
1021 1 48 LEU HB2 1 49 GLN HG3 . . 8.250 6.473 6.331 6.677 . 0 0 "[ . 1 . 2]" 1
1022 1 48 LEU HB3 1 49 GLN HG2 . . 8.250 7.280 7.180 7.408 . 0 0 "[ . 1 . 2]" 1
1023 1 48 LEU HB3 1 49 GLN HG3 . . 8.250 6.558 6.373 6.750 . 0 0 "[ . 1 . 2]" 1
1024 1 48 LEU QD 1 49 GLN H . . 6.470 3.882 3.829 3.947 . 0 0 "[ . 1 . 2]" 1
1025 1 48 LEU QD 1 50 ASP H . . 6.370 4.740 4.704 4.785 . 0 0 "[ . 1 . 2]" 1
1026 1 48 LEU QD 1 51 MET QB . . 9.950 2.433 2.192 2.664 . 0 0 "[ . 1 . 2]" 1
1027 1 48 LEU HG 1 49 GLN H . . 6.500 5.468 5.368 5.529 . 0 0 "[ . 1 . 2]" 1
1028 1 48 LEU HG 1 51 MET QB . . 7.380 4.814 4.554 5.055 . 0 0 "[ . 1 . 2]" 1
1029 1 49 GLN H 1 49 GLN HB2 . . 3.900 2.271 2.213 2.361 . 0 0 "[ . 1 . 2]" 1
1030 1 49 GLN H 1 49 GLN HB3 . . 3.900 2.700 2.590 2.770 . 0 0 "[ . 1 . 2]" 1
1031 1 49 GLN H 1 49 GLN QG . . 4.480 3.883 3.850 3.913 . 0 0 "[ . 1 . 2]" 1
1032 1 49 GLN H 1 50 ASP H . . 3.200 2.772 2.665 2.889 . 0 0 "[ . 1 . 2]" 1
1033 1 49 GLN H 1 50 ASP HA . . 6.400 5.268 5.178 5.364 . 0 0 "[ . 1 . 2]" 1
1034 1 49 GLN H 1 50 ASP QB . . 7.080 4.477 4.377 4.603 . 0 0 "[ . 1 . 2]" 1
1035 1 49 GLN H 1 51 MET H . . 4.000 4.029 3.933 4.077 0.077 2 0 "[ . 1 . 2]" 1
1036 1 49 GLN H 1 51 MET QG . . 7.380 5.489 4.653 6.402 . 0 0 "[ . 1 . 2]" 1
1037 1 49 GLN H 1 52 ILE MG . . 6.100 4.812 4.630 4.936 . 0 0 "[ . 1 . 2]" 1
1038 1 49 GLN HA 1 50 ASP HA . . 6.500 4.730 4.720 4.738 . 0 0 "[ . 1 . 2]" 1
1039 1 49 GLN HA 1 51 MET H . . 5.800 4.183 4.076 4.247 . 0 0 "[ . 1 . 2]" 1
1040 1 49 GLN HA 1 51 MET QB . . 7.380 4.865 4.728 4.956 . 0 0 "[ . 1 . 2]" 1
1041 1 49 GLN HA 1 52 ILE H . . 4.900 3.626 3.552 3.683 . 0 0 "[ . 1 . 2]" 1
1042 1 49 GLN HA 1 52 ILE HB . . 5.000 4.662 4.543 4.918 . 0 0 "[ . 1 . 2]" 1
1043 1 49 GLN HA 1 52 ILE MD . . 5.800 2.887 2.547 3.288 . 0 0 "[ . 1 . 2]" 1
1044 1 49 GLN QB 1 50 ASP HA . . 6.380 4.004 3.953 4.078 . 0 0 "[ . 1 . 2]" 1
1045 1 49 GLN QB 1 52 ILE H . . 7.380 5.284 5.199 5.356 . 0 0 "[ . 1 . 2]" 1
1046 1 49 GLN HB2 1 50 ASP H . . 6.500 3.871 3.810 3.951 . 0 0 "[ . 1 . 2]" 1
1047 1 49 GLN HB3 1 50 ASP H . . 6.500 2.793 2.716 2.860 . 0 0 "[ . 1 . 2]" 1
1048 1 49 GLN QG 1 50 ASP H . . 4.680 4.034 3.906 4.113 . 0 0 "[ . 1 . 2]" 1
1049 1 49 GLN QG 1 52 ILE H . . 7.380 5.171 5.097 5.237 . 0 0 "[ . 1 . 2]" 1
1050 1 49 GLN QG 1 53 ASN QD . . 8.240 4.122 2.745 5.485 . 0 0 "[ . 1 . 2]" 1
1051 1 49 GLN HG2 1 50 ASP H . . 5.000 4.261 4.081 4.381 . 0 0 "[ . 1 . 2]" 1
1052 1 49 GLN HG2 1 52 ILE HB . . 6.500 6.423 6.253 6.540 0.040 19 0 "[ . 1 . 2]" 1
1053 1 49 GLN HG3 1 50 ASP H . . 5.000 4.991 4.931 5.049 0.049 12 0 "[ . 1 . 2]" 1
1054 1 49 GLN HG3 1 52 ILE HB . . 6.500 5.810 5.561 6.072 . 0 0 "[ . 1 . 2]" 1
1055 1 50 ASP H 1 50 ASP HB2 . . 3.700 2.436 2.222 2.749 . 0 0 "[ . 1 . 2]" 1
1056 1 50 ASP H 1 50 ASP QB . . 3.490 2.170 2.127 2.194 . 0 0 "[ . 1 . 2]" 1
1057 1 50 ASP H 1 50 ASP HB3 . . 3.700 2.506 2.215 2.742 . 0 0 "[ . 1 . 2]" 1
1058 1 50 ASP H 1 51 MET H . . 3.600 2.480 2.447 2.496 . 0 0 "[ . 1 . 2]" 1
1059 1 50 ASP H 1 51 MET QB . . 5.780 4.306 4.068 4.545 . 0 0 "[ . 1 . 2]" 1
1060 1 50 ASP H 1 52 ILE H . . 6.500 4.442 4.316 4.538 . 0 0 "[ . 1 . 2]" 1
1061 1 50 ASP H 1 53 ASN H . . 5.800 4.811 4.717 4.923 . 0 0 "[ . 1 . 2]" 1
1062 1 50 ASP HA 1 52 ILE MD . . 7.300 4.445 4.211 4.952 . 0 0 "[ . 1 . 2]" 1
1063 1 50 ASP HA 1 53 ASN HB2 . . 6.500 3.208 2.603 3.940 . 0 0 "[ . 1 . 2]" 1
1064 1 50 ASP HA 1 53 ASN HB3 . . 6.500 3.310 2.817 3.881 . 0 0 "[ . 1 . 2]" 1
1065 1 50 ASP HA 1 53 ASN HD21 . . 6.500 3.955 3.035 5.002 . 0 0 "[ . 1 . 2]" 1
1066 1 50 ASP HA 1 53 ASN QD . . 6.340 3.858 3.001 4.763 . 0 0 "[ . 1 . 2]" 1
1067 1 50 ASP HA 1 53 ASN HD22 . . 6.500 5.480 4.731 5.996 . 0 0 "[ . 1 . 2]" 1
1068 1 50 ASP QB 1 51 MET QG . . 8.250 3.491 3.112 4.229 . 0 0 "[ . 1 . 2]" 1
1069 1 50 ASP QB 1 52 ILE H . . 6.780 5.111 5.005 5.250 . 0 0 "[ . 1 . 2]" 1
1070 1 50 ASP QB 1 53 ASN QB . . 8.250 4.548 4.371 4.686 . 0 0 "[ . 1 . 2]" 1
1071 1 51 MET H 1 51 MET QB . . 3.810 2.174 1.967 2.406 . 0 0 "[ . 1 . 2]" 1
1072 1 51 MET H 1 51 MET QG . . 3.880 2.673 2.056 3.404 . 0 0 "[ . 1 . 2]" 1
1073 1 51 MET H 1 52 ILE H . . 3.900 2.732 2.679 2.762 . 0 0 "[ . 1 . 2]" 1
1074 1 51 MET H 1 52 ILE HB . . 6.500 6.132 6.113 6.165 . 0 0 "[ . 1 . 2]" 1
1075 1 51 MET H 1 52 ILE QG . . 5.480 3.555 3.485 3.732 . 0 0 "[ . 1 . 2]" 1
1076 1 51 MET H 1 53 ASN H . . 6.500 3.967 3.803 4.076 . 0 0 "[ . 1 . 2]" 1
1077 1 51 MET H 1 53 ASN HB2 . . 6.500 5.224 4.657 5.874 . 0 0 "[ . 1 . 2]" 1
1078 1 51 MET H 1 53 ASN QB . . 6.340 4.674 4.469 4.840 . 0 0 "[ . 1 . 2]" 1
1079 1 51 MET H 1 53 ASN HB3 . . 6.500 5.485 4.956 6.134 . 0 0 "[ . 1 . 2]" 1
1080 1 51 MET HA 1 51 MET QG . . 3.920 2.380 2.019 3.007 . 0 0 "[ . 1 . 2]" 1
1081 1 51 MET HA 1 53 ASN QB . . 7.380 4.853 4.504 5.076 . 0 0 "[ . 1 . 2]" 1
1082 1 51 MET HA 1 54 GLU QB . . 7.380 2.356 2.071 2.913 . 0 0 "[ . 1 . 2]" 1
1083 1 51 MET HA 1 54 GLU QG . . 6.180 4.000 3.576 4.857 . 0 0 "[ . 1 . 2]" 1
1084 1 51 MET HA 1 55 VAL MG1 . . 7.500 3.719 3.444 4.251 . 0 0 "[ . 1 . 2]" 1
1085 1 51 MET HA 1 55 VAL MG2 . . 7.500 4.824 4.443 5.470 . 0 0 "[ . 1 . 2]" 1
1086 1 51 MET QB 1 52 ILE QG . . 7.320 3.808 3.711 3.960 . 0 0 "[ . 1 . 2]" 1
1087 1 51 MET HB2 1 52 ILE HG12 . . 8.250 5.197 4.913 5.645 . 0 0 "[ . 1 . 2]" 1
1088 1 51 MET HB2 1 52 ILE HG13 . . 8.250 4.188 3.959 4.594 . 0 0 "[ . 1 . 2]" 1
1089 1 51 MET HB3 1 52 ILE HG12 . . 8.250 6.072 5.419 6.441 . 0 0 "[ . 1 . 2]" 1
1090 1 51 MET HB3 1 52 ILE HG13 . . 8.250 5.016 4.491 5.313 . 0 0 "[ . 1 . 2]" 1
1091 1 51 MET QG 1 52 ILE H . . 5.580 4.119 3.822 4.380 . 0 0 "[ . 1 . 2]" 1
1092 1 52 ILE H 1 52 ILE MD . . 4.500 3.552 3.422 3.768 . 0 0 "[ . 1 . 2]" 1
1093 1 52 ILE H 1 52 ILE HG12 . . 3.700 3.153 2.994 3.293 . 0 0 "[ . 1 . 2]" 1
1094 1 52 ILE H 1 52 ILE QG . . 3.440 1.971 1.903 2.191 . 0 0 "[ . 1 . 2]" 1
1095 1 52 ILE H 1 52 ILE HG13 . . 3.700 1.992 1.918 2.236 . 0 0 "[ . 1 . 2]" 1
1096 1 52 ILE H 1 52 ILE MG . . 4.400 2.218 1.982 2.388 . 0 0 "[ . 1 . 2]" 1
1097 1 52 ILE H 1 53 ASN H . . 4.100 2.853 2.754 2.924 . 0 0 "[ . 1 . 2]" 1
1098 1 52 ILE H 1 53 ASN QB . . 7.380 4.521 4.390 4.614 . 0 0 "[ . 1 . 2]" 1
1099 1 52 ILE H 1 54 GLU H . . 5.100 4.021 3.919 4.174 . 0 0 "[ . 1 . 2]" 1
1100 1 52 ILE H 1 54 GLU QB . . 7.380 4.778 4.598 5.070 . 0 0 "[ . 1 . 2]" 1
1101 1 52 ILE H 1 55 VAL QG . . 6.060 3.765 3.659 3.995 . 0 0 "[ . 1 . 2]" 1
1102 1 52 ILE HA 1 52 ILE QG . . 3.800 3.400 3.362 3.442 . 0 0 "[ . 1 . 2]" 1
1103 1 52 ILE HA 1 52 ILE MG . . 3.400 2.259 2.132 2.389 . 0 0 "[ . 1 . 2]" 1
1104 1 52 ILE HA 1 54 GLU QB . . 7.380 4.848 4.678 4.930 . 0 0 "[ . 1 . 2]" 1
1105 1 52 ILE HA 1 55 VAL H . . 5.300 3.542 3.331 3.667 . 0 0 "[ . 1 . 2]" 1
1106 1 52 ILE HA 1 55 VAL QG . . 9.060 1.946 1.885 2.097 . 0 0 "[ . 1 . 2]" 1
1107 1 52 ILE HA 1 56 ASP H . . 6.100 3.567 3.365 3.821 . 0 0 "[ . 1 . 2]" 1
1108 1 52 ILE HB 1 52 ILE MD . . 3.400 2.083 1.980 2.194 . 0 0 "[ . 1 . 2]" 1
1109 1 52 ILE HB 1 53 ASN H . . 6.500 3.695 3.555 3.923 . 0 0 "[ . 1 . 2]" 1
1110 1 52 ILE HB 1 54 GLU H . . 5.400 5.429 5.378 5.492 0.092 14 0 "[ . 1 . 2]" 1
1111 1 52 ILE HB 1 55 VAL QG . . 7.460 3.596 3.270 3.777 . 0 0 "[ . 1 . 2]" 1
1112 1 52 ILE HB 1 62 THR HA . . 6.300 3.249 2.456 3.620 . 0 0 "[ . 1 . 2]" 1
1113 1 52 ILE MD 1 53 ASN H . . 4.800 2.107 1.885 2.553 . 0 0 "[ . 1 . 2]" 1
1114 1 52 ILE MD 1 53 ASN HB2 . . 7.500 2.507 2.025 3.129 . 0 0 "[ . 1 . 2]" 1
1115 1 52 ILE MD 1 53 ASN HB3 . . 7.500 3.738 3.173 4.293 . 0 0 "[ . 1 . 2]" 1
1116 1 52 ILE MD 1 54 GLU H . . 7.500 4.211 4.017 4.431 . 0 0 "[ . 1 . 2]" 1
1117 1 52 ILE MD 1 56 ASP H . . 7.500 4.540 4.196 4.724 . 0 0 "[ . 1 . 2]" 1
1118 1 52 ILE MD 1 56 ASP HB2 . . 6.400 3.691 3.192 4.020 . 0 0 "[ . 1 . 2]" 1
1119 1 52 ILE MD 1 56 ASP QB . . 6.090 3.431 3.064 3.661 . 0 0 "[ . 1 . 2]" 1
1120 1 52 ILE MD 1 56 ASP HB3 . . 6.400 4.101 3.860 4.346 . 0 0 "[ . 1 . 2]" 1
1121 1 52 ILE MD 1 61 GLY H . . 6.200 4.344 4.140 4.609 . 0 0 "[ . 1 . 2]" 1
1122 1 52 ILE MD 1 62 THR H . . 5.200 3.957 3.622 4.287 . 0 0 "[ . 1 . 2]" 1
1123 1 52 ILE MD 1 62 THR HA . . 6.500 3.695 3.370 4.034 . 0 0 "[ . 1 . 2]" 1
1124 1 52 ILE MD 1 63 ILE H . . 7.500 5.412 5.082 5.767 . 0 0 "[ . 1 . 2]" 1
1125 1 52 ILE MD 1 63 ILE QG . . 6.880 4.304 3.979 4.506 . 0 0 "[ . 1 . 2]" 1
1126 1 52 ILE QG 1 53 ASN H . . 5.280 2.155 1.899 2.453 . 0 0 "[ . 1 . 2]" 1
1127 1 52 ILE QG 1 53 ASN QB . . 8.250 3.506 3.173 3.740 . 0 0 "[ . 1 . 2]" 1
1128 1 52 ILE QG 1 56 ASP QB . . 8.250 5.028 4.815 5.167 . 0 0 "[ . 1 . 2]" 1
1129 1 52 ILE QG 1 62 THR MG . . 8.380 5.885 5.254 6.054 . 0 0 "[ . 1 . 2]" 1
1130 1 52 ILE HG12 1 52 ILE MG . . 3.400 2.115 2.001 2.256 . 0 0 "[ . 1 . 2]" 1
1131 1 52 ILE HG13 1 52 ILE MG . . 3.400 2.726 2.661 2.824 . 0 0 "[ . 1 . 2]" 1
1132 1 52 ILE MG 1 53 ASN HA . . 7.200 5.427 5.410 5.461 . 0 0 "[ . 1 . 2]" 1
1133 1 52 ILE MG 1 53 ASN QB . . 8.380 5.291 5.172 5.423 . 0 0 "[ . 1 . 2]" 1
1134 1 52 ILE MG 1 55 VAL QG . . 7.560 3.175 3.058 3.392 . 0 0 "[ . 1 . 2]" 1
1135 1 52 ILE MG 1 61 GLY HA2 . . 7.300 5.433 5.203 5.562 . 0 0 "[ . 1 . 2]" 1
1136 1 52 ILE MG 1 61 GLY QA . . 6.900 5.037 4.839 5.145 . 0 0 "[ . 1 . 2]" 1
1137 1 52 ILE MG 1 61 GLY HA3 . . 7.300 5.967 5.519 6.110 . 0 0 "[ . 1 . 2]" 1
1138 1 52 ILE MG 1 62 THR HA . . 6.900 3.781 3.104 4.152 . 0 0 "[ . 1 . 2]" 1
1139 1 52 ILE MG 1 62 THR MG . . 7.800 4.558 3.741 4.976 . 0 0 "[ . 1 . 2]" 1
1140 1 52 ILE MG 1 63 ILE H . . 7.500 4.028 3.198 4.521 . 0 0 "[ . 1 . 2]" 1
1141 1 52 ILE MG 1 63 ILE QG . . 8.380 2.070 1.851 2.307 . 0 0 "[ . 1 . 2]" 1
1142 1 53 ASN H 1 53 ASN HB2 . . 4.000 2.216 2.021 2.550 . 0 0 "[ . 1 . 2]" 1
1143 1 53 ASN H 1 53 ASN HB3 . . 4.000 2.868 2.409 3.352 . 0 0 "[ . 1 . 2]" 1
1144 1 53 ASN H 1 54 GLU H . . 4.100 2.589 2.529 2.673 . 0 0 "[ . 1 . 2]" 1
1145 1 53 ASN H 1 54 GLU HA . . 6.300 5.118 5.056 5.193 . 0 0 "[ . 1 . 2]" 1
1146 1 53 ASN H 1 54 GLU QB . . 7.380 4.326 4.260 4.414 . 0 0 "[ . 1 . 2]" 1
1147 1 53 ASN H 1 54 GLU QG . . 7.580 6.187 6.079 6.295 . 0 0 "[ . 1 . 2]" 1
1148 1 53 ASN H 1 55 VAL QG . . 9.060 4.131 4.028 4.230 . 0 0 "[ . 1 . 2]" 1
1149 1 53 ASN H 1 56 ASP QB . . 7.380 4.330 4.195 4.489 . 0 0 "[ . 1 . 2]" 1
1150 1 53 ASN HA 1 54 GLU HA . . 6.500 4.763 4.750 4.783 . 0 0 "[ . 1 . 2]" 1
1151 1 53 ASN HA 1 56 ASP H . . 3.900 3.713 3.550 3.865 . 0 0 "[ . 1 . 2]" 1
1152 1 53 ASN HA 1 56 ASP HB2 . . 6.500 3.249 2.981 3.473 . 0 0 "[ . 1 . 2]" 1
1153 1 53 ASN HA 1 56 ASP HB3 . . 6.500 2.508 2.333 2.868 . 0 0 "[ . 1 . 2]" 1
1154 1 53 ASN HA 1 59 GLY QA . . 7.380 5.801 5.150 6.339 . 0 0 "[ . 1 . 2]" 1
1155 1 53 ASN HA 1 61 GLY QA . . 5.080 2.660 2.434 2.800 . 0 0 "[ . 1 . 2]" 1
1156 1 53 ASN QB 1 54 GLU HA . . 6.280 3.835 3.687 4.099 . 0 0 "[ . 1 . 2]" 1
1157 1 53 ASN QB 1 54 GLU QB . . 7.320 3.889 3.810 3.986 . 0 0 "[ . 1 . 2]" 1
1158 1 53 ASN QB 1 56 ASP H . . 7.380 5.076 4.800 5.282 . 0 0 "[ . 1 . 2]" 1
1159 1 53 ASN QB 1 56 ASP QB . . 7.350 4.268 4.072 4.460 . 0 0 "[ . 1 . 2]" 1
1160 1 53 ASN HB2 1 53 ASN HD22 . . 4.000 3.621 3.445 3.949 . 0 0 "[ . 1 . 2]" 1
1161 1 53 ASN HB2 1 54 GLU H . . 4.400 3.611 3.080 4.034 . 0 0 "[ . 1 . 2]" 1
1162 1 53 ASN HB2 1 54 GLU HB2 . . 8.250 5.494 4.821 6.064 . 0 0 "[ . 1 . 2]" 1
1163 1 53 ASN HB2 1 54 GLU HB3 . . 8.250 5.906 5.318 6.389 . 0 0 "[ . 1 . 2]" 1
1164 1 53 ASN HB3 1 53 ASN HD22 . . 4.000 3.711 3.446 3.994 . 0 0 "[ . 1 . 2]" 1
1165 1 53 ASN HB3 1 54 GLU H . . 4.400 2.927 2.709 3.237 . 0 0 "[ . 1 . 2]" 1
1166 1 53 ASN HB3 1 54 GLU HB2 . . 8.250 4.300 4.146 4.528 . 0 0 "[ . 1 . 2]" 1
1167 1 53 ASN HB3 1 54 GLU HB3 . . 8.250 5.023 4.820 5.315 . 0 0 "[ . 1 . 2]" 1
1168 1 54 GLU H 1 54 GLU HB2 . . 3.700 2.604 2.391 2.721 . 0 0 "[ . 1 . 2]" 1
1169 1 54 GLU H 1 54 GLU QB . . 3.490 2.203 2.173 2.224 . 0 0 "[ . 1 . 2]" 1
1170 1 54 GLU H 1 54 GLU HB3 . . 3.700 2.385 2.284 2.597 . 0 0 "[ . 1 . 2]" 1
1171 1 54 GLU H 1 54 GLU QG . . 4.380 3.934 3.871 3.979 . 0 0 "[ . 1 . 2]" 1
1172 1 54 GLU H 1 55 VAL H . . 3.900 2.742 2.703 2.789 . 0 0 "[ . 1 . 2]" 1
1173 1 54 GLU H 1 55 VAL MG1 . . 5.300 3.995 3.810 4.156 . 0 0 "[ . 1 . 2]" 1
1174 1 54 GLU H 1 55 VAL QG . . 4.960 3.494 3.403 3.600 . 0 0 "[ . 1 . 2]" 1
1175 1 54 GLU H 1 55 VAL MG2 . . 5.300 3.879 3.613 4.107 . 0 0 "[ . 1 . 2]" 1
1176 1 54 GLU H 1 56 ASP H . . 4.100 3.843 3.592 4.018 . 0 0 "[ . 1 . 2]" 1
1177 1 54 GLU HA 1 55 VAL HA . . 6.500 4.790 4.773 4.826 . 0 0 "[ . 1 . 2]" 1
1178 1 54 GLU HA 1 56 ASP H . . 6.100 4.475 4.003 4.699 . 0 0 "[ . 1 . 2]" 1
1179 1 54 GLU HA 1 57 ALA HA . . 6.500 6.299 5.883 6.545 0.045 3 0 "[ . 1 . 2]" 1
1180 1 54 GLU QB 1 55 VAL HA . . 6.080 4.181 3.983 4.295 . 0 0 "[ . 1 . 2]" 1
1181 1 54 GLU QB 1 55 VAL QG . . 7.930 2.827 2.730 2.905 . 0 0 "[ . 1 . 2]" 1
1182 1 54 GLU QB 1 56 ASP H . . 6.380 4.531 4.305 4.667 . 0 0 "[ . 1 . 2]" 1
1183 1 54 GLU HB2 1 55 VAL H . . 4.500 3.775 3.628 3.862 . 0 0 "[ . 1 . 2]" 1
1184 1 54 GLU HB2 1 55 VAL MG1 . . 10.020 4.441 4.263 4.582 . 0 0 "[ . 1 . 2]" 1
1185 1 54 GLU HB2 1 55 VAL MG2 . . 10.020 5.450 5.217 5.636 . 0 0 "[ . 1 . 2]" 1
1186 1 54 GLU HB3 1 55 VAL H . . 4.500 2.324 2.247 2.424 . 0 0 "[ . 1 . 2]" 1
1187 1 54 GLU HB3 1 55 VAL MG1 . . 10.020 2.924 2.800 3.024 . 0 0 "[ . 1 . 2]" 1
1188 1 54 GLU HB3 1 55 VAL MG2 . . 10.020 4.205 3.957 4.403 . 0 0 "[ . 1 . 2]" 1
1189 1 54 GLU QG 1 55 VAL H . . 6.280 3.219 3.024 3.600 . 0 0 "[ . 1 . 2]" 1
1190 1 54 GLU QG 1 71 MET HA . . 6.080 5.410 5.034 5.502 . 0 0 "[ . 1 . 2]" 1
1191 1 54 GLU QG 1 71 MET QG . . 8.380 5.336 4.772 6.439 . 0 0 "[ . 1 . 2]" 1
1192 1 55 VAL H 1 55 VAL MG1 . . 3.800 1.894 1.851 1.951 . 0 0 "[ . 1 . 2]" 1
1193 1 55 VAL H 1 55 VAL QG . . 3.360 1.798 1.770 1.852 . 0 0 "[ . 1 . 2]" 1
1194 1 55 VAL H 1 55 VAL MG2 . . 3.800 2.273 2.049 2.494 . 0 0 "[ . 1 . 2]" 1
1195 1 55 VAL H 1 56 ASP H . . 3.700 2.734 2.640 2.851 . 0 0 "[ . 1 . 2]" 1
1196 1 55 VAL H 1 56 ASP HB2 . . 5.300 5.033 4.899 5.234 . 0 0 "[ . 1 . 2]" 1
1197 1 55 VAL H 1 56 ASP QB . . 5.130 4.387 4.327 4.485 . 0 0 "[ . 1 . 2]" 1
1198 1 55 VAL H 1 56 ASP HB3 . . 5.300 4.837 4.707 5.103 . 0 0 "[ . 1 . 2]" 1
1199 1 55 VAL H 1 57 ALA H . . 6.500 6.532 6.390 6.586 0.086 20 0 "[ . 1 . 2]" 1
1200 1 55 VAL HA 1 67 GLU QB . . 7.380 4.768 4.294 5.261 . 0 0 "[ . 1 . 2]" 1
1201 1 55 VAL HB 1 56 ASP H . . 5.700 3.891 3.617 4.197 . 0 0 "[ . 1 . 2]" 1
1202 1 55 VAL HB 1 63 ILE QG . . 7.180 4.584 3.966 5.202 . 0 0 "[ . 1 . 2]" 1
1203 1 55 VAL HB 1 63 ILE MG . . 6.900 3.764 2.928 4.348 . 0 0 "[ . 1 . 2]" 1
1204 1 55 VAL HB 1 71 MET H . . 5.200 3.779 3.428 4.060 . 0 0 "[ . 1 . 2]" 1
1205 1 55 VAL HB 1 71 MET QB . . 7.500 2.543 2.159 2.954 . 0 0 "[ . 1 . 2]" 1
1206 1 55 VAL HB 1 72 MET H . . 6.500 6.048 5.744 6.343 . 0 0 "[ . 1 . 2]" 1
1207 1 55 VAL QG 1 56 ASP H . . 4.220 1.955 1.823 2.152 . 0 0 "[ . 1 . 2]" 1
1208 1 55 VAL QG 1 56 ASP HA . . 6.660 2.988 2.777 3.172 . 0 0 "[ . 1 . 2]" 1
1209 1 55 VAL QG 1 62 THR HB . . 9.060 6.127 6.009 6.202 . 0 0 "[ . 1 . 2]" 1
1210 1 55 VAL QG 1 63 ILE HA . . 6.990 2.854 2.504 3.068 . 0 0 "[ . 1 . 2]" 1
1211 1 55 VAL QG 1 63 ILE MG . . 7.770 2.549 1.833 3.028 . 0 0 "[ . 1 . 2]" 1
1212 1 55 VAL QG 1 64 ASP H . . 7.460 4.082 3.735 4.357 . 0 0 "[ . 1 . 2]" 1
1213 1 55 VAL QG 1 67 GLU QG . . 9.940 4.089 3.830 4.529 . 0 0 "[ . 1 . 2]" 1
1214 1 55 VAL QG 1 71 MET H . . 7.260 3.640 3.239 4.049 . 0 0 "[ . 1 . 2]" 1
1215 1 55 VAL QG 1 71 MET QG . . 9.660 2.038 1.733 2.953 . 0 0 "[ . 1 . 2]" 1
1216 1 55 VAL QG 1 72 MET H . . 7.760 4.763 4.624 4.966 . 0 0 "[ . 1 . 2]" 1
1217 1 55 VAL QG 1 75 LYS H . . 8.760 5.956 5.737 6.067 . 0 0 "[ . 1 . 2]" 1
1218 1 55 VAL QG 1 75 LYS QG . . 10.060 5.983 4.966 6.314 . 0 0 "[ . 1 . 2]" 1
1219 1 55 VAL MG1 1 56 ASP H . . 4.600 3.766 3.616 3.854 . 0 0 "[ . 1 . 2]" 1
1220 1 55 VAL MG1 1 63 ILE HA . . 7.500 5.334 4.952 5.523 . 0 0 "[ . 1 . 2]" 1
1221 1 55 VAL MG1 1 63 ILE MG . . 8.500 3.891 3.243 4.278 . 0 0 "[ . 1 . 2]" 1
1222 1 55 VAL MG2 1 56 ASP H . . 4.600 1.962 1.827 2.164 . 0 0 "[ . 1 . 2]" 1
1223 1 55 VAL MG2 1 63 ILE HA . . 7.500 2.866 2.512 3.084 . 0 0 "[ . 1 . 2]" 1
1224 1 55 VAL MG2 1 63 ILE MG . . 8.500 2.588 1.843 3.102 . 0 0 "[ . 1 . 2]" 1
1225 1 56 ASP H 1 56 ASP HB2 . . 3.900 2.451 2.265 2.590 . 0 0 "[ . 1 . 2]" 1
1226 1 56 ASP H 1 56 ASP QB . . 3.700 2.188 2.149 2.211 . 0 0 "[ . 1 . 2]" 1
1227 1 56 ASP H 1 56 ASP HB3 . . 3.900 2.481 2.360 2.672 . 0 0 "[ . 1 . 2]" 1
1228 1 56 ASP H 1 57 ALA H . . 5.400 4.412 4.330 4.445 . 0 0 "[ . 1 . 2]" 1
1229 1 56 ASP HA 1 57 ALA HA . . 6.500 4.450 4.445 4.461 . 0 0 "[ . 1 . 2]" 1
1230 1 56 ASP HA 1 57 ALA MB . . 7.500 4.028 3.970 4.093 . 0 0 "[ . 1 . 2]" 1
1231 1 56 ASP HA 1 58 ASP H . . 4.500 4.091 3.864 4.300 . 0 0 "[ . 1 . 2]" 1
1232 1 56 ASP HA 1 59 GLY QA . . 6.880 5.401 5.031 5.671 . 0 0 "[ . 1 . 2]" 1
1233 1 56 ASP HA 1 63 ILE QG . . 7.380 4.955 4.678 5.597 . 0 0 "[ . 1 . 2]" 1
1234 1 56 ASP QB 1 60 ASP H . . 7.380 3.681 3.208 3.937 . 0 0 "[ . 1 . 2]" 1
1235 1 56 ASP QB 1 61 GLY QA . . 8.250 2.785 2.205 3.148 . 0 0 "[ . 1 . 2]" 1
1236 1 56 ASP QB 1 63 ILE HA . . 7.180 4.367 3.990 4.811 . 0 0 "[ . 1 . 2]" 1
1237 1 56 ASP QB 1 63 ILE MD . . 8.380 5.510 5.069 5.890 . 0 0 "[ . 1 . 2]" 1
1238 1 56 ASP QB 1 63 ILE QG . . 8.250 4.282 3.906 4.682 . 0 0 "[ . 1 . 2]" 1
1239 1 56 ASP HB2 1 57 ALA H . . 6.300 4.493 4.421 4.590 . 0 0 "[ . 1 . 2]" 1
1240 1 56 ASP HB2 1 62 THR H . . 6.500 2.957 2.336 4.509 . 0 0 "[ . 1 . 2]" 1
1241 1 56 ASP HB3 1 57 ALA H . . 6.300 4.452 4.359 4.524 . 0 0 "[ . 1 . 2]" 1
1242 1 56 ASP HB3 1 62 THR H . . 6.500 4.264 3.616 5.987 . 0 0 "[ . 1 . 2]" 1
1243 1 57 ALA H 1 57 ALA MB . . 3.400 2.212 2.028 2.326 . 0 0 "[ . 1 . 2]" 1
1244 1 57 ALA H 1 58 ASP H . . 3.900 2.277 2.090 2.474 . 0 0 "[ . 1 . 2]" 1
1245 1 57 ALA H 1 58 ASP QB . . 5.980 4.491 4.025 4.858 . 0 0 "[ . 1 . 2]" 1
1246 1 57 ALA H 1 59 GLY H . . 5.400 3.518 3.296 3.716 . 0 0 "[ . 1 . 2]" 1
1247 1 57 ALA H 1 67 GLU QG . . 7.380 2.704 2.259 3.236 . 0 0 "[ . 1 . 2]" 1
1248 1 57 ALA HA 1 59 GLY H . . 5.000 3.805 3.663 3.990 . 0 0 "[ . 1 . 2]" 1
1249 1 57 ALA MB 1 58 ASP H . . 3.400 2.425 2.228 2.679 . 0 0 "[ . 1 . 2]" 1
1250 1 57 ALA MB 1 58 ASP HA . . 7.500 3.672 3.574 3.751 . 0 0 "[ . 1 . 2]" 1
1251 1 57 ALA MB 1 58 ASP QB . . 8.080 4.224 3.799 4.613 . 0 0 "[ . 1 . 2]" 1
1252 1 57 ALA MB 1 59 GLY H . . 5.000 4.200 4.097 4.230 . 0 0 "[ . 1 . 2]" 1
1253 1 57 ALA MB 1 67 GLU HB2 . . 7.500 5.708 4.888 6.078 . 0 0 "[ . 1 . 2]" 1
1254 1 57 ALA MB 1 67 GLU HB3 . . 7.500 4.911 4.174 5.322 . 0 0 "[ . 1 . 2]" 1
1255 1 57 ALA MB 1 70 THR MG . . 8.500 4.678 3.840 5.325 . 0 0 "[ . 1 . 2]" 1
1256 1 58 ASP H 1 59 GLY H . . 3.800 2.875 2.753 2.967 . 0 0 "[ . 1 . 2]" 1
1257 1 58 ASP H 1 59 GLY HA2 . . 5.800 5.107 5.011 5.172 . 0 0 "[ . 1 . 2]" 1
1258 1 58 ASP H 1 59 GLY QA . . 5.340 4.658 4.581 4.703 . 0 0 "[ . 1 . 2]" 1
1259 1 58 ASP H 1 59 GLY HA3 . . 5.800 5.374 5.303 5.408 . 0 0 "[ . 1 . 2]" 1
1260 1 58 ASP H 1 60 ASP QB . . 7.380 6.503 5.750 6.644 . 0 0 "[ . 1 . 2]" 1
1261 1 58 ASP HA 1 59 GLY HA2 . . 6.500 5.233 5.174 5.274 . 0 0 "[ . 1 . 2]" 1
1262 1 58 ASP HA 1 59 GLY QA . . 5.910 4.327 4.303 4.348 . 0 0 "[ . 1 . 2]" 1
1263 1 58 ASP HA 1 59 GLY HA3 . . 6.500 4.615 4.601 4.629 . 0 0 "[ . 1 . 2]" 1
1264 1 58 ASP QB 1 60 ASP QB . . 6.840 4.710 4.165 5.554 . 0 0 "[ . 1 . 2]" 1
1265 1 58 ASP HB2 1 60 ASP HB2 . . 8.250 6.143 5.189 7.478 . 0 0 "[ . 1 . 2]" 1
1266 1 58 ASP HB2 1 60 ASP HB3 . . 8.250 5.257 4.366 6.885 . 0 0 "[ . 1 . 2]" 1
1267 1 58 ASP HB3 1 60 ASP HB2 . . 8.250 7.295 6.811 7.852 . 0 0 "[ . 1 . 2]" 1
1268 1 58 ASP HB3 1 60 ASP HB3 . . 8.250 6.536 5.741 7.375 . 0 0 "[ . 1 . 2]" 1
1269 1 59 GLY H 1 60 ASP H . . 4.600 3.328 2.985 3.602 . 0 0 "[ . 1 . 2]" 1
1270 1 59 GLY H 1 60 ASP QB . . 7.380 4.711 3.808 4.927 . 0 0 "[ . 1 . 2]" 1
1271 1 59 GLY H 1 61 GLY H . . 5.400 4.402 4.159 4.585 . 0 0 "[ . 1 . 2]" 1
1272 1 59 GLY QA 1 60 ASP HA . . 6.780 3.919 3.906 3.936 . 0 0 "[ . 1 . 2]" 1
1273 1 59 GLY QA 1 61 GLY QA . . 7.350 5.086 4.984 5.232 . 0 0 "[ . 1 . 2]" 1
1274 1 59 GLY HA2 1 61 GLY H . . 5.900 4.387 4.097 4.749 . 0 0 "[ . 1 . 2]" 1
1275 1 59 GLY HA3 1 61 GLY H . . 5.900 5.593 5.385 5.815 . 0 0 "[ . 1 . 2]" 1
1276 1 60 ASP H 1 61 GLY H . . 3.700 2.426 2.090 3.054 . 0 0 "[ . 1 . 2]" 1
1277 1 60 ASP H 1 61 GLY HA2 . . 5.900 3.803 3.704 3.996 . 0 0 "[ . 1 . 2]" 1
1278 1 60 ASP H 1 61 GLY QA . . 5.440 3.561 3.472 3.762 . 0 0 "[ . 1 . 2]" 1
1279 1 60 ASP H 1 61 GLY HA3 . . 5.900 4.296 4.175 4.588 . 0 0 "[ . 1 . 2]" 1
1280 1 60 ASP HA 1 61 GLY HA2 . . 6.500 5.164 5.041 5.211 . 0 0 "[ . 1 . 2]" 1
1281 1 60 ASP HA 1 61 GLY QA . . 5.780 4.324 4.309 4.332 . 0 0 "[ . 1 . 2]" 1
1282 1 60 ASP HA 1 61 GLY HA3 . . 6.500 4.640 4.630 4.682 . 0 0 "[ . 1 . 2]" 1
1283 1 60 ASP HA 1 62 THR H . . 6.500 5.297 4.683 5.561 . 0 0 "[ . 1 . 2]" 1
1284 1 60 ASP QB 1 62 THR H . . 6.340 3.515 2.618 4.398 . 0 0 "[ . 1 . 2]" 1
1285 1 60 ASP HB2 1 61 GLY H . . 6.500 2.901 2.217 3.655 . 0 0 "[ . 1 . 2]" 1
1286 1 60 ASP HB2 1 62 THR H . . 6.500 3.685 2.639 4.844 . 0 0 "[ . 1 . 2]" 1
1287 1 60 ASP HB3 1 61 GLY H . . 6.500 3.718 2.319 3.917 . 0 0 "[ . 1 . 2]" 1
1288 1 60 ASP HB3 1 62 THR H . . 6.500 4.833 3.699 5.229 . 0 0 "[ . 1 . 2]" 1
1289 1 61 GLY H 1 62 THR H . . 3.900 2.034 1.839 2.678 . 0 0 "[ . 1 . 2]" 1
1290 1 61 GLY H 1 62 THR HA . . 6.500 4.611 4.509 4.792 . 0 0 "[ . 1 . 2]" 1
1291 1 61 GLY H 1 62 THR MG . . 6.300 5.269 5.088 5.395 . 0 0 "[ . 1 . 2]" 1
1292 1 61 GLY QA 1 62 THR HA . . 6.100 4.018 4.002 4.047 . 0 0 "[ . 1 . 2]" 1
1293 1 61 GLY QA 1 62 THR MG . . 7.350 5.070 4.989 5.271 . 0 0 "[ . 1 . 2]" 1
1294 1 61 GLY HA2 1 62 THR HA . . 6.500 4.466 4.358 4.844 . 0 0 "[ . 1 . 2]" 1
1295 1 61 GLY HA2 1 62 THR MG . . 7.500 5.799 5.659 6.184 . 0 0 "[ . 1 . 2]" 1
1296 1 61 GLY HA3 1 62 THR HA . . 6.500 4.590 4.333 4.678 . 0 0 "[ . 1 . 2]" 1
1297 1 61 GLY HA3 1 62 THR MG . . 7.500 5.602 5.545 5.746 . 0 0 "[ . 1 . 2]" 1
1298 1 62 THR H 1 63 ILE H . . 5.100 4.457 4.376 4.668 . 0 0 "[ . 1 . 2]" 1
1299 1 62 THR H 1 63 ILE HA . . 6.500 4.814 4.577 5.574 . 0 0 "[ . 1 . 2]" 1
1300 1 62 THR HA 1 62 THR MG . . 3.400 2.274 2.154 2.428 . 0 0 "[ . 1 . 2]" 1
1301 1 62 THR HA 1 63 ILE HA . . 4.900 4.323 4.287 4.369 . 0 0 "[ . 1 . 2]" 1
1302 1 62 THR HA 1 63 ILE HB . . 5.800 4.769 4.571 5.036 . 0 0 "[ . 1 . 2]" 1
1303 1 62 THR HA 1 63 ILE MD . . 7.500 4.913 4.671 5.216 . 0 0 "[ . 1 . 2]" 1
1304 1 62 THR HA 1 63 ILE QG . . 7.380 3.277 3.067 3.542 . 0 0 "[ . 1 . 2]" 1
1305 1 62 THR HA 1 63 ILE MG . . 6.600 5.384 5.231 5.449 . 0 0 "[ . 1 . 2]" 1
1306 1 62 THR HB 1 63 ILE H . . 3.900 3.609 3.340 3.837 . 0 0 "[ . 1 . 2]" 1
1307 1 62 THR HB 1 63 ILE HA . . 5.100 4.861 4.643 5.041 . 0 0 "[ . 1 . 2]" 1
1308 1 62 THR HB 1 63 ILE MG . . 7.500 6.163 6.029 6.266 . 0 0 "[ . 1 . 2]" 1
1309 1 62 THR MG 1 63 ILE H . . 7.500 1.952 1.814 2.095 . 0 0 "[ . 1 . 2]" 1
1310 1 62 THR MG 1 63 ILE HA . . 7.500 4.120 3.875 4.223 . 0 0 "[ . 1 . 2]" 1
1311 1 62 THR MG 1 63 ILE QG . . 8.380 3.686 3.407 3.955 . 0 0 "[ . 1 . 2]" 1
1312 1 62 THR MG 1 63 ILE MG . . 7.300 4.695 4.557 4.822 . 0 0 "[ . 1 . 2]" 1
1313 1 62 THR MG 1 64 ASP H . . 6.500 5.183 4.714 5.308 . 0 0 "[ . 1 . 2]" 1
1314 1 63 ILE H 1 63 ILE QG . . 4.880 2.383 2.017 2.720 . 0 0 "[ . 1 . 2]" 1
1315 1 63 ILE HA 1 63 ILE MD . . 4.500 3.697 3.428 3.856 . 0 0 "[ . 1 . 2]" 1
1316 1 63 ILE HA 1 63 ILE HG12 . . 3.800 2.515 2.316 2.765 . 0 0 "[ . 1 . 2]" 1
1317 1 63 ILE HA 1 63 ILE QG . . 3.500 2.442 2.269 2.670 . 0 0 "[ . 1 . 2]" 1
1318 1 63 ILE HA 1 63 ILE HG13 . . 3.800 3.342 3.166 3.524 . 0 0 "[ . 1 . 2]" 1
1319 1 63 ILE HA 1 63 ILE MG . . 3.500 2.284 2.066 2.448 . 0 0 "[ . 1 . 2]" 1
1320 1 63 ILE HA 1 67 GLU QB . . 6.680 2.767 2.317 3.061 . 0 0 "[ . 1 . 2]" 1
1321 1 63 ILE HB 1 63 ILE MD . . 3.400 2.480 2.316 2.717 . 0 0 "[ . 1 . 2]" 1
1322 1 63 ILE HB 1 64 ASP H . . 4.600 3.463 2.922 4.435 . 0 0 "[ . 1 . 2]" 1
1323 1 63 ILE HB 1 67 GLU QB . . 5.880 4.679 4.249 5.073 . 0 0 "[ . 1 . 2]" 1
1324 1 63 ILE HB 1 68 PHE H . . 6.500 5.155 4.519 5.831 . 0 0 "[ . 1 . 2]" 1
1325 1 63 ILE MD 1 68 PHE HA . . 7.500 3.834 3.247 4.192 . 0 0 "[ . 1 . 2]" 1
1326 1 63 ILE MD 1 68 PHE QB . . 7.080 3.898 3.536 4.141 . 0 0 "[ . 1 . 2]" 1
1327 1 63 ILE MD 1 68 PHE HD2 . . 7.500 5.118 3.463 5.743 . 0 0 "[ . 1 . 2]" 1
1328 1 63 ILE MD 1 71 MET H . . 7.500 6.001 5.623 6.153 . 0 0 "[ . 1 . 2]" 1
1329 1 63 ILE QG 1 64 ASP H . . 5.700 4.138 3.959 4.369 . 0 0 "[ . 1 . 2]" 1
1330 1 63 ILE QG 1 67 GLU QB . . 6.890 4.169 3.545 4.520 . 0 0 "[ . 1 . 2]" 1
1331 1 63 ILE QG 1 68 PHE H . . 6.980 5.456 5.014 5.920 . 0 0 "[ . 1 . 2]" 1
1332 1 63 ILE QG 1 68 PHE QB . . 8.250 4.944 4.642 5.154 . 0 0 "[ . 1 . 2]" 1
1333 1 63 ILE HG12 1 64 ASP H . . 6.200 4.412 4.150 4.666 . 0 0 "[ . 1 . 2]" 1
1334 1 63 ILE HG12 1 67 GLU HB2 . . 8.250 5.240 4.381 5.674 . 0 0 "[ . 1 . 2]" 1
1335 1 63 ILE HG12 1 67 GLU HB3 . . 8.250 4.627 3.912 5.114 . 0 0 "[ . 1 . 2]" 1
1336 1 63 ILE HG13 1 64 ASP H . . 6.200 5.027 4.888 5.450 . 0 0 "[ . 1 . 2]" 1
1337 1 63 ILE HG13 1 67 GLU HB2 . . 8.250 6.243 5.417 6.612 . 0 0 "[ . 1 . 2]" 1
1338 1 63 ILE HG13 1 67 GLU HB3 . . 8.250 6.003 5.314 6.547 . 0 0 "[ . 1 . 2]" 1
1339 1 63 ILE MG 1 64 ASP H . . 4.800 1.881 1.721 3.167 . 0 0 "[ . 1 . 2]" 1
1340 1 63 ILE MG 1 65 PHE H . . 7.400 4.962 4.553 5.379 . 0 0 "[ . 1 . 2]" 1
1341 1 63 ILE MG 1 67 GLU H . . 5.300 4.330 4.228 4.424 . 0 0 "[ . 1 . 2]" 1
1342 1 63 ILE MG 1 67 GLU HB2 . . 6.600 2.890 2.220 3.194 . 0 0 "[ . 1 . 2]" 1
1343 1 63 ILE MG 1 67 GLU QB . . 6.250 2.537 2.123 2.941 . 0 0 "[ . 1 . 2]" 1
1344 1 63 ILE MG 1 67 GLU HB3 . . 6.600 2.850 2.251 3.466 . 0 0 "[ . 1 . 2]" 1
1345 1 63 ILE MG 1 68 PHE H . . 4.400 2.554 2.387 2.998 . 0 0 "[ . 1 . 2]" 1
1346 1 63 ILE MG 1 68 PHE HA . . 6.700 2.645 2.343 2.859 . 0 0 "[ . 1 . 2]" 1
1347 1 63 ILE MG 1 68 PHE HB2 . . 6.300 1.965 1.870 2.121 . 0 0 "[ . 1 . 2]" 1
1348 1 63 ILE MG 1 68 PHE QB . . 6.090 1.953 1.861 2.105 . 0 0 "[ . 1 . 2]" 1
1349 1 63 ILE MG 1 68 PHE HB3 . . 6.300 3.391 3.240 3.536 . 0 0 "[ . 1 . 2]" 1
1350 1 63 ILE MG 1 68 PHE HD2 . . 5.700 3.983 2.654 4.503 . 0 0 "[ . 1 . 2]" 1
1351 1 64 ASP H 1 65 PHE H . . 5.800 4.357 4.322 4.459 . 0 0 "[ . 1 . 2]" 1
1352 1 64 ASP H 1 67 GLU H . . 5.100 3.487 3.396 3.776 . 0 0 "[ . 1 . 2]" 1
1353 1 64 ASP H 1 67 GLU QB . . 5.380 1.877 1.814 1.923 . 0 0 "[ . 1 . 2]" 1
1354 1 64 ASP HA 1 65 PHE QB . . 7.380 4.302 4.141 4.440 . 0 0 "[ . 1 . 2]" 1
1355 1 64 ASP HA 1 66 PRO QD . . 7.380 3.653 3.310 3.778 . 0 0 "[ . 1 . 2]" 1
1356 1 64 ASP HA 1 67 GLU QB . . 6.980 3.875 3.704 4.209 . 0 0 "[ . 1 . 2]" 1
1357 1 64 ASP QB 1 65 PHE H . . 4.260 2.662 1.882 3.297 . 0 0 "[ . 1 . 2]" 1
1358 1 64 ASP QB 1 66 PRO QD . . 7.320 1.825 1.657 1.930 . 0 0 "[ . 1 . 2]" 1
1359 1 64 ASP QB 1 67 GLU H . . 5.680 2.120 1.913 2.718 . 0 0 "[ . 1 . 2]" 1
1360 1 64 ASP QB 1 67 GLU QB . . 6.550 2.254 2.034 2.882 . 0 0 "[ . 1 . 2]" 1
1361 1 64 ASP HB2 1 65 PHE H . . 4.500 3.629 2.974 4.178 . 0 0 "[ . 1 . 2]" 1
1362 1 64 ASP HB2 1 66 PRO HD2 . . 8.250 2.887 1.875 3.443 . 0 0 "[ . 1 . 2]" 1
1363 1 64 ASP HB2 1 66 PRO HD3 . . 8.250 4.524 3.591 5.078 . 0 0 "[ . 1 . 2]" 1
1364 1 64 ASP HB3 1 65 PHE H . . 4.500 2.753 1.899 3.452 . 0 0 "[ . 1 . 2]" 1
1365 1 64 ASP HB3 1 66 PRO HD2 . . 8.250 1.912 1.819 1.980 . 0 0 "[ . 1 . 2]" 1
1366 1 64 ASP HB3 1 66 PRO HD3 . . 8.250 3.430 2.936 3.687 . 0 0 "[ . 1 . 2]" 1
1367 1 65 PHE H 1 66 PRO QD . . 5.580 2.104 1.889 2.241 . 0 0 "[ . 1 . 2]" 1
1368 1 65 PHE H 1 67 GLU H . . 6.500 3.924 3.701 4.721 . 0 0 "[ . 1 . 2]" 1
1369 1 65 PHE H 1 68 PHE H . . 6.500 4.674 4.443 4.859 . 0 0 "[ . 1 . 2]" 1
1370 1 65 PHE HA 1 65 PHE HD1 . . 3.100 2.279 1.942 2.843 . 0 0 "[ . 1 . 2]" 1
1371 1 65 PHE HA 1 65 PHE HE1 . . 6.500 4.411 4.248 4.707 . 0 0 "[ . 1 . 2]" 1
1372 1 65 PHE HA 1 68 PHE HB2 . . 5.700 3.922 3.678 4.205 . 0 0 "[ . 1 . 2]" 1
1373 1 65 PHE HA 1 68 PHE QB . . 5.200 3.278 2.793 3.495 . 0 0 "[ . 1 . 2]" 1
1374 1 65 PHE HA 1 68 PHE HB3 . . 5.700 3.538 2.843 3.823 . 0 0 "[ . 1 . 2]" 1
1375 1 65 PHE HA 1 68 PHE HD2 . . 6.500 4.804 4.158 5.690 . 0 0 "[ . 1 . 2]" 1
1376 1 65 PHE HA 1 69 LEU QB . . 7.380 4.473 4.186 4.788 . 0 0 "[ . 1 . 2]" 1
1377 1 65 PHE QB 1 66 PRO QD . . 5.770 1.770 1.704 1.819 . 0 0 "[ . 1 . 2]" 1
1378 1 65 PHE HB2 1 65 PHE HD1 . . 3.700 3.410 2.684 3.739 0.039 3 0 "[ . 1 . 2]" 1
1379 1 65 PHE HB2 1 66 PRO HD2 . . 7.150 3.241 3.050 3.667 . 0 0 "[ . 1 . 2]" 1
1380 1 65 PHE HB2 1 66 PRO HD3 . . 7.150 2.248 2.041 2.709 . 0 0 "[ . 1 . 2]" 1
1381 1 65 PHE HB3 1 65 PHE HD1 . . 3.700 3.245 2.686 3.740 0.040 19 0 "[ . 1 . 2]" 1
1382 1 65 PHE HB3 1 66 PRO HD2 . . 7.150 3.299 3.169 3.360 . 0 0 "[ . 1 . 2]" 1
1383 1 65 PHE HB3 1 66 PRO HD3 . . 7.150 1.890 1.733 1.964 . 0 0 "[ . 1 . 2]" 1
1384 1 65 PHE HD1 1 66 PRO HD2 . . 6.500 5.474 5.381 5.766 . 0 0 "[ . 1 . 2]" 1
1385 1 65 PHE HD1 1 66 PRO QD . . 6.340 4.485 4.361 4.777 . 0 0 "[ . 1 . 2]" 1
1386 1 65 PHE HD1 1 66 PRO HD3 . . 6.500 4.768 4.554 5.098 . 0 0 "[ . 1 . 2]" 1
1387 1 66 PRO HA 1 67 GLU HA . . 6.500 4.631 4.601 4.776 . 0 0 "[ . 1 . 2]" 1
1388 1 66 PRO HA 1 68 PHE H . . 6.500 4.800 4.325 4.992 . 0 0 "[ . 1 . 2]" 1
1389 1 66 PRO HA 1 69 LEU QB . . 6.780 2.549 2.030 3.433 . 0 0 "[ . 1 . 2]" 1
1390 1 66 PRO HA 1 69 LEU QD . . 8.470 2.318 1.824 2.876 . 0 0 "[ . 1 . 2]" 1
1391 1 66 PRO QB 1 67 GLU QG . . 8.380 3.822 3.556 3.959 . 0 0 "[ . 1 . 2]" 1
1392 1 66 PRO QB 1 69 LEU HG . . 7.500 5.197 3.986 6.523 . 0 0 "[ . 1 . 2]" 1
1393 1 66 PRO QD 1 67 GLU QB . . 6.950 3.641 3.566 3.898 . 0 0 "[ . 1 . 2]" 1
1394 1 66 PRO QD 1 67 GLU QG . . 6.010 3.648 3.005 3.813 . 0 0 "[ . 1 . 2]" 1
1395 1 66 PRO HD2 1 67 GLU HG2 . . 7.050 5.394 4.710 5.524 . 0 0 "[ . 1 . 2]" 1
1396 1 66 PRO HD2 1 67 GLU HG3 . . 7.050 3.799 3.086 3.988 . 0 0 "[ . 1 . 2]" 1
1397 1 66 PRO HD3 1 67 GLU HG2 . . 7.050 6.955 6.222 7.091 0.041 18 0 "[ . 1 . 2]" 1
1398 1 66 PRO HD3 1 67 GLU HG3 . . 7.050 5.380 4.709 5.567 . 0 0 "[ . 1 . 2]" 1
1399 1 66 PRO QG 1 67 GLU HA . . 7.500 4.555 4.411 4.589 . 0 0 "[ . 1 . 2]" 1
1400 1 66 PRO QG 1 67 GLU QG . . 6.080 3.212 2.765 3.388 . 0 0 "[ . 1 . 2]" 1
1401 1 67 GLU H 1 67 GLU QG . . 4.680 2.549 1.929 2.746 . 0 0 "[ . 1 . 2]" 1
1402 1 67 GLU H 1 68 PHE H . . 4.500 2.760 2.553 3.163 . 0 0 "[ . 1 . 2]" 1
1403 1 67 GLU H 1 69 LEU H . . 5.100 4.012 3.753 4.451 . 0 0 "[ . 1 . 2]" 1
1404 1 67 GLU QB 1 68 PHE HA . . 7.380 3.780 3.736 3.899 . 0 0 "[ . 1 . 2]" 1
1405 1 67 GLU QG 1 70 THR HB . . 7.380 4.949 4.397 5.334 . 0 0 "[ . 1 . 2]" 1
1406 1 67 GLU QG 1 70 THR MG . . 8.080 5.435 4.739 5.884 . 0 0 "[ . 1 . 2]" 1
1407 1 68 PHE H 1 68 PHE HD2 . . 5.600 4.888 4.582 4.948 . 0 0 "[ . 1 . 2]" 1
1408 1 68 PHE H 1 69 LEU H . . 4.500 2.791 2.582 2.973 . 0 0 "[ . 1 . 2]" 1
1409 1 68 PHE H 1 69 LEU HA . . 6.500 5.284 5.148 5.446 . 0 0 "[ . 1 . 2]" 1
1410 1 68 PHE H 1 70 THR H . . 6.500 4.416 4.013 4.702 . 0 0 "[ . 1 . 2]" 1
1411 1 68 PHE HA 1 71 MET QB . . 7.500 2.254 1.964 2.598 . 0 0 "[ . 1 . 2]" 1
1412 1 68 PHE QB 1 71 MET QB . . 8.380 4.023 3.779 4.255 . 0 0 "[ . 1 . 2]" 1
1413 1 68 PHE HB2 1 68 PHE HD2 . . 3.500 3.104 2.312 3.236 . 0 0 "[ . 1 . 2]" 1
1414 1 68 PHE HB2 1 69 LEU H . . 4.800 3.543 3.337 3.963 . 0 0 "[ . 1 . 2]" 1
1415 1 68 PHE HB3 1 68 PHE HD2 . . 3.500 2.468 2.327 3.514 0.014 15 0 "[ . 1 . 2]" 1
1416 1 68 PHE HB3 1 69 LEU H . . 4.800 2.472 2.153 2.733 . 0 0 "[ . 1 . 2]" 1
1417 1 68 PHE HD2 1 69 LEU HA . . 7.000 5.073 4.670 6.468 . 0 0 "[ . 1 . 2]" 1
1418 1 69 LEU H 1 69 LEU HG . . 3.900 3.666 2.887 3.942 0.042 11 0 "[ . 1 . 2]" 1
1419 1 69 LEU H 1 70 THR H . . 4.500 2.937 2.656 3.058 . 0 0 "[ . 1 . 2]" 1
1420 1 69 LEU HA 1 69 LEU HG . . 3.700 3.248 2.102 3.719 0.019 15 0 "[ . 1 . 2]" 1
1421 1 69 LEU HA 1 70 THR HA . . 5.200 4.759 4.720 4.832 . 0 0 "[ . 1 . 2]" 1
1422 1 69 LEU HA 1 71 MET H . . 6.500 4.606 4.182 4.846 . 0 0 "[ . 1 . 2]" 1
1423 1 69 LEU HA 1 72 MET H . . 6.500 3.916 3.679 4.145 . 0 0 "[ . 1 . 2]" 1
1424 1 69 LEU HA 1 73 ALA H . . 5.900 3.942 3.554 4.244 . 0 0 "[ . 1 . 2]" 1
1425 1 69 LEU QB 1 70 THR H . . 7.380 2.947 2.463 3.481 . 0 0 "[ . 1 . 2]" 1
1426 1 69 LEU QB 1 73 ALA H . . 7.380 5.138 4.783 5.526 . 0 0 "[ . 1 . 2]" 1
1427 1 69 LEU QD 1 70 THR H . . 7.170 3.385 2.830 3.970 . 0 0 "[ . 1 . 2]" 1
1428 1 69 LEU QD 1 73 ALA H . . 9.070 3.706 3.120 4.202 . 0 0 "[ . 1 . 2]" 1
1429 1 69 LEU QD 1 74 ARG H . . 8.270 5.168 4.493 5.824 . 0 0 "[ . 1 . 2]" 1
1430 1 69 LEU HG 1 70 THR H . . 5.300 3.167 1.947 5.091 . 0 0 "[ . 1 . 2]" 1
1431 1 70 THR H 1 70 THR HB . . 4.200 2.242 2.129 2.475 . 0 0 "[ . 1 . 2]" 1
1432 1 70 THR H 1 71 MET H . . 4.300 2.676 2.511 2.876 . 0 0 "[ . 1 . 2]" 1
1433 1 70 THR H 1 71 MET QB . . 7.500 4.294 4.191 4.487 . 0 0 "[ . 1 . 2]" 1
1434 1 70 THR H 1 73 ALA MB . . 7.500 4.471 4.306 4.650 . 0 0 "[ . 1 . 2]" 1
1435 1 70 THR H 1 74 ARG QG . . 6.200 5.450 5.270 5.556 . 0 0 "[ . 1 . 2]" 1
1436 1 70 THR HA 1 70 THR MG . . 3.400 2.523 2.288 2.639 . 0 0 "[ . 1 . 2]" 1
1437 1 70 THR HA 1 73 ALA H . . 5.100 3.740 3.504 3.871 . 0 0 "[ . 1 . 2]" 1
1438 1 70 THR HA 1 73 ALA MB . . 3.400 2.516 2.285 2.686 . 0 0 "[ . 1 . 2]" 1
1439 1 70 THR HA 1 74 ARG H . . 5.200 3.447 3.267 3.830 . 0 0 "[ . 1 . 2]" 1
1440 1 70 THR HB 1 71 MET H . . 4.400 2.706 2.544 3.018 . 0 0 "[ . 1 . 2]" 1
1441 1 70 THR MG 1 71 MET H . . 4.800 3.383 3.208 3.637 . 0 0 "[ . 1 . 2]" 1
1442 1 70 THR MG 1 71 MET HA . . 7.500 3.454 3.288 3.779 . 0 0 "[ . 1 . 2]" 1
1443 1 70 THR MG 1 74 ARG H . . 5.400 3.619 3.229 3.818 . 0 0 "[ . 1 . 2]" 1
1444 1 70 THR MG 1 74 ARG QG . . 7.600 1.951 1.852 2.123 . 0 0 "[ . 1 . 2]" 1
1445 1 71 MET H 1 71 MET QG . . 4.700 3.945 3.887 4.016 . 0 0 "[ . 1 . 2]" 1
1446 1 71 MET H 1 72 MET H . . 4.400 3.039 2.924 3.197 . 0 0 "[ . 1 . 2]" 1
1447 1 71 MET H 1 72 MET HA . . 6.500 5.461 5.370 5.574 . 0 0 "[ . 1 . 2]" 1
1448 1 71 MET H 1 73 ALA H . . 5.700 4.535 4.038 4.700 . 0 0 "[ . 1 . 2]" 1
1449 1 71 MET H 1 73 ALA MB . . 6.000 4.792 4.463 4.886 . 0 0 "[ . 1 . 2]" 1
1450 1 71 MET HA 1 74 ARG QB . . 6.700 2.953 2.693 3.132 . 0 0 "[ . 1 . 2]" 1
1451 1 71 MET HA 1 74 ARG QD . . 7.500 5.381 4.445 5.931 . 0 0 "[ . 1 . 2]" 1
1452 1 71 MET QG 1 72 MET H . . 5.500 3.352 2.852 3.879 . 0 0 "[ . 1 . 2]" 1
1453 1 71 MET QG 1 74 ARG H . . 7.500 5.420 5.059 5.665 . 0 0 "[ . 1 . 2]" 1
1454 1 72 MET H 1 72 MET QG . . 4.800 3.378 1.900 3.997 . 0 0 "[ . 1 . 2]" 1
1455 1 72 MET H 1 73 ALA H . . 3.700 2.921 2.773 2.997 . 0 0 "[ . 1 . 2]" 1
1456 1 72 MET H 1 74 ARG H . . 4.900 4.418 4.285 4.508 . 0 0 "[ . 1 . 2]" 1
1457 1 72 MET H 1 75 LYS QG . . 7.500 5.689 4.614 5.991 . 0 0 "[ . 1 . 2]" 1
1458 1 72 MET HA 1 75 LYS HA . . 5.300 4.781 4.618 5.045 . 0 0 "[ . 1 . 2]" 1
1459 1 72 MET HA 1 75 LYS QB . . 6.300 2.092 1.954 2.388 . 0 0 "[ . 1 . 2]" 1
1460 1 72 MET QB 1 75 LYS QB . . 8.500 3.945 3.706 4.128 . 0 0 "[ . 1 . 2]" 1
1461 1 73 ALA H 1 73 ALA MB . . 3.400 2.051 1.947 2.172 . 0 0 "[ . 1 . 2]" 1
1462 1 73 ALA H 1 74 ARG H . . 4.100 3.015 2.809 3.099 . 0 0 "[ . 1 . 2]" 1
1463 1 73 ALA H 1 74 ARG QB . . 5.900 4.856 4.644 5.040 . 0 0 "[ . 1 . 2]" 1
1464 1 73 ALA H 1 75 LYS H . . 6.500 4.001 3.747 4.128 . 0 0 "[ . 1 . 2]" 1
1465 1 73 ALA H 1 75 LYS QB . . 7.500 4.507 4.301 4.762 . 0 0 "[ . 1 . 2]" 1
1466 1 73 ALA H 1 76 MET H . . 6.500 5.078 4.759 5.293 . 0 0 "[ . 1 . 2]" 1
1467 1 73 ALA H 1 76 MET QB . . 7.380 5.714 5.345 6.291 . 0 0 "[ . 1 . 2]" 1
1468 1 73 ALA HA 1 75 LYS QB . . 7.500 4.761 4.458 5.025 . 0 0 "[ . 1 . 2]" 1
1469 1 73 ALA HA 1 76 MET H . . 6.500 3.846 3.700 3.967 . 0 0 "[ . 1 . 2]" 1
1470 1 73 ALA HA 1 76 MET HA . . 6.500 6.151 5.880 6.367 . 0 0 "[ . 1 . 2]" 1
1471 1 73 ALA HA 1 76 MET HB2 . . 6.500 4.320 3.376 5.782 . 0 0 "[ . 1 . 2]" 1
1472 1 73 ALA HA 1 76 MET QB . . 5.820 3.790 3.320 4.317 . 0 0 "[ . 1 . 2]" 1
1473 1 73 ALA HA 1 76 MET HB3 . . 6.500 4.799 4.194 5.361 . 0 0 "[ . 1 . 2]" 1
1474 1 73 ALA HA 1 76 MET HG2 . . 6.500 4.295 2.056 6.257 . 0 0 "[ . 1 . 2]" 1
1475 1 73 ALA HA 1 76 MET QG . . 5.910 3.402 2.031 4.678 . 0 0 "[ . 1 . 2]" 1
1476 1 73 ALA HA 1 76 MET HG3 . . 6.500 3.961 2.871 4.831 . 0 0 "[ . 1 . 2]" 1
1477 1 73 ALA HA 1 77 LYS H . . 5.300 4.704 4.097 4.989 . 0 0 "[ . 1 . 2]" 1
1478 1 73 ALA MB 1 74 ARG H . . 3.400 2.368 2.231 2.494 . 0 0 "[ . 1 . 2]" 1
1479 1 73 ALA MB 1 75 LYS H . . 5.300 4.279 4.069 4.395 . 0 0 "[ . 1 . 2]" 1
1480 1 73 ALA MB 1 76 MET QB . . 8.380 4.896 4.506 5.372 . 0 0 "[ . 1 . 2]" 1
1481 1 73 ALA MB 1 77 LYS QE . . 7.800 4.579 3.397 5.462 . 0 0 "[ . 1 . 2]" 1
1482 1 74 ARG H 1 74 ARG QD . . 6.000 4.157 3.820 4.373 . 0 0 "[ . 1 . 2]" 1
1483 1 74 ARG H 1 75 LYS HA . . 5.100 5.180 5.121 5.205 0.105 15 0 "[ . 1 . 2]" 1
1484 1 74 ARG H 1 75 LYS QB . . 7.100 4.317 4.271 4.370 . 0 0 "[ . 1 . 2]" 1
1485 1 74 ARG H 1 75 LYS QG . . 7.400 6.169 5.246 6.355 . 0 0 "[ . 1 . 2]" 1
1486 1 74 ARG H 1 77 LYS H . . 5.900 4.816 4.518 4.948 . 0 0 "[ . 1 . 2]" 1
1487 1 74 ARG HA 1 78 ASP H . . 6.500 4.034 3.774 4.551 . 0 0 "[ . 1 . 2]" 1
1488 1 74 ARG QB 1 75 LYS QG . . 8.500 5.288 4.240 5.610 . 0 0 "[ . 1 . 2]" 1
1489 1 74 ARG QB 1 76 MET H . . 5.700 5.064 4.867 5.205 . 0 0 "[ . 1 . 2]" 1
1490 1 74 ARG QG 1 77 LYS HB2 . . 5.900 4.397 3.944 4.694 . 0 0 "[ . 1 . 2]" 1
1491 1 74 ARG QG 1 77 LYS HB3 . . 5.900 4.751 4.297 5.242 . 0 0 "[ . 1 . 2]" 1
1492 1 75 LYS H 1 75 LYS QD . . 5.300 3.867 3.242 4.691 . 0 0 "[ . 1 . 2]" 1
1493 1 75 LYS H 1 75 LYS QG . . 4.900 3.859 3.047 4.026 . 0 0 "[ . 1 . 2]" 1
1494 1 75 LYS H 1 76 MET H . . 3.700 2.978 2.845 3.114 . 0 0 "[ . 1 . 2]" 1
1495 1 75 LYS H 1 76 MET QB . . 5.680 4.797 4.588 5.013 . 0 0 "[ . 1 . 2]" 1
1496 1 75 LYS H 1 77 LYS H . . 5.000 3.995 3.633 4.347 . 0 0 "[ . 1 . 2]" 1
1497 1 75 LYS H 1 78 ASP QB . . 7.380 5.053 4.605 5.907 . 0 0 "[ . 1 . 2]" 1
1498 1 75 LYS HA 1 75 LYS QD . . 4.700 2.767 2.280 3.460 . 0 0 "[ . 1 . 2]" 1
1499 1 75 LYS HA 1 76 MET HG2 . . 6.500 6.069 5.415 6.532 0.032 1 0 "[ . 1 . 2]" 1
1500 1 75 LYS HA 1 76 MET HG3 . . 6.500 6.063 5.488 6.492 . 0 0 "[ . 1 . 2]" 1
1501 1 75 LYS HA 1 77 LYS H . . 6.500 4.285 3.902 4.652 . 0 0 "[ . 1 . 2]" 1
1502 1 75 LYS HA 1 77 LYS HB2 . . 6.500 5.684 4.973 6.133 . 0 0 "[ . 1 . 2]" 1
1503 1 75 LYS HA 1 77 LYS HB3 . . 6.500 5.446 4.794 6.077 . 0 0 "[ . 1 . 2]" 1
1504 1 75 LYS HA 1 78 ASP H . . 6.500 3.719 3.499 3.867 . 0 0 "[ . 1 . 2]" 1
1505 1 75 LYS QB 1 76 MET H . . 5.000 2.350 2.240 2.495 . 0 0 "[ . 1 . 2]" 1
1506 1 75 LYS QB 1 76 MET HA . . 6.000 3.883 3.725 4.057 . 0 0 "[ . 1 . 2]" 1
1507 1 75 LYS QB 1 76 MET HG2 . . 7.500 4.280 3.630 4.949 . 0 0 "[ . 1 . 2]" 1
1508 1 75 LYS QB 1 76 MET HG3 . . 7.500 4.431 3.614 5.073 . 0 0 "[ . 1 . 2]" 1
1509 1 75 LYS QB 1 79 THR MG . . 8.500 4.183 3.393 4.998 . 0 0 "[ . 1 . 2]" 1
1510 1 75 LYS QE 1 78 ASP HA . . 6.400 5.605 5.113 5.761 . 0 0 "[ . 1 . 2]" 1
1511 1 75 LYS QE 1 78 ASP QB . . 8.380 2.928 2.508 3.162 . 0 0 "[ . 1 . 2]" 1
1512 1 75 LYS QG 1 76 MET H . . 7.500 3.976 3.579 4.425 . 0 0 "[ . 1 . 2]" 1
1513 1 75 LYS QG 1 76 MET HA . . 7.500 4.482 3.792 5.665 . 0 0 "[ . 1 . 2]" 1
1514 1 75 LYS QG 1 77 LYS QB . . 8.380 6.337 6.006 6.583 . 0 0 "[ . 1 . 2]" 1
1515 1 75 LYS QG 1 78 ASP H . . 7.200 5.407 5.090 5.703 . 0 0 "[ . 1 . 2]" 1
1516 1 75 LYS QG 1 79 THR H . . 6.500 4.583 3.675 5.733 . 0 0 "[ . 1 . 2]" 1
1517 1 76 MET H 1 76 MET HB2 . . 3.600 2.762 2.043 3.518 . 0 0 "[ . 1 . 2]" 1
1518 1 76 MET H 1 76 MET QB . . 3.340 2.226 2.026 2.445 . 0 0 "[ . 1 . 2]" 1
1519 1 76 MET H 1 76 MET HB3 . . 3.600 2.962 2.261 3.498 . 0 0 "[ . 1 . 2]" 1
1520 1 76 MET H 1 76 MET HG2 . . 3.900 2.930 2.011 3.568 . 0 0 "[ . 1 . 2]" 1
1521 1 76 MET H 1 76 MET QG . . 3.650 2.515 1.981 2.960 . 0 0 "[ . 1 . 2]" 1
1522 1 76 MET H 1 76 MET HG3 . . 3.900 2.887 2.497 3.162 . 0 0 "[ . 1 . 2]" 1
1523 1 76 MET H 1 77 LYS H . . 6.500 2.758 2.665 2.892 . 0 0 "[ . 1 . 2]" 1
1524 1 76 MET H 1 79 THR H . . 6.500 5.019 4.753 5.347 . 0 0 "[ . 1 . 2]" 1
1525 1 76 MET HA 1 76 MET HG2 . . 4.300 2.977 2.047 4.222 . 0 0 "[ . 1 . 2]" 1
1526 1 76 MET HA 1 76 MET HG3 . . 4.300 3.411 2.976 3.708 . 0 0 "[ . 1 . 2]" 1
1527 1 76 MET HA 1 79 THR MG . . 7.500 2.131 1.769 3.510 . 0 0 "[ . 1 . 2]" 1
1528 1 76 MET QB 1 77 LYS QB . . 6.870 4.353 3.846 4.986 . 0 0 "[ . 1 . 2]" 1
1529 1 76 MET HB2 1 77 LYS H . . 4.900 3.373 2.665 4.239 . 0 0 "[ . 1 . 2]" 1
1530 1 76 MET HB2 1 77 LYS HB2 . . 8.250 4.999 4.209 5.987 . 0 0 "[ . 1 . 2]" 1
1531 1 76 MET HB2 1 77 LYS HB3 . . 8.250 6.122 5.630 6.856 . 0 0 "[ . 1 . 2]" 1
1532 1 76 MET HB3 1 77 LYS H . . 4.900 3.638 3.062 4.149 . 0 0 "[ . 1 . 2]" 1
1533 1 76 MET HB3 1 77 LYS HB2 . . 8.250 5.322 4.586 6.073 . 0 0 "[ . 1 . 2]" 1
1534 1 76 MET HB3 1 77 LYS HB3 . . 8.250 6.320 5.780 7.175 . 0 0 "[ . 1 . 2]" 1
1535 1 76 MET QG 1 77 LYS H . . 6.680 3.351 1.969 4.437 . 0 0 "[ . 1 . 2]" 1
1536 1 76 MET QG 1 77 LYS QG . . 8.380 5.608 3.559 6.695 . 0 0 "[ . 1 . 2]" 1
1537 1 77 LYS H 1 77 LYS QB . . 3.910 2.067 1.987 2.194 . 0 0 "[ . 1 . 2]" 1
1538 1 77 LYS H 1 77 LYS QD . . 6.100 4.095 2.693 4.663 . 0 0 "[ . 1 . 2]" 1
1539 1 77 LYS H 1 78 ASP H . . 4.800 2.843 2.775 2.908 . 0 0 "[ . 1 . 2]" 1
1540 1 77 LYS H 1 79 THR H . . 6.300 4.418 4.327 4.492 . 0 0 "[ . 1 . 2]" 1
1541 1 77 LYS HA 1 77 LYS QE . . 5.200 4.029 3.002 4.583 . 0 0 "[ . 1 . 2]" 1
1542 1 77 LYS HA 1 78 ASP HA . . 5.900 4.794 4.752 4.869 . 0 0 "[ . 1 . 2]" 1
1543 1 77 LYS QB 1 78 ASP H . . 4.830 2.404 2.282 2.638 . 0 0 "[ . 1 . 2]" 1
1544 1 77 LYS QB 1 78 ASP HA . . 5.480 3.845 3.678 4.190 . 0 0 "[ . 1 . 2]" 1
1545 1 77 LYS QB 1 79 THR H . . 7.380 4.895 4.827 4.972 . 0 0 "[ . 1 . 2]" 1
1546 1 77 LYS HB2 1 78 ASP H . . 5.100 3.407 3.027 3.840 . 0 0 "[ . 1 . 2]" 1
1547 1 77 LYS HB3 1 78 ASP H . . 5.100 2.475 2.306 2.900 . 0 0 "[ . 1 . 2]" 1
1548 1 77 LYS QG 1 78 ASP H . . 5.600 3.991 3.239 4.442 . 0 0 "[ . 1 . 2]" 1
1549 1 78 ASP H 1 79 THR H . . 4.800 2.983 2.859 3.140 . 0 0 "[ . 1 . 2]" 1
1550 1 78 ASP H 1 79 THR MG . . 6.300 4.304 4.142 4.521 . 0 0 "[ . 1 . 2]" 1
1551 1 78 ASP HA 1 79 THR HA . . 5.700 4.810 4.798 4.837 . 0 0 "[ . 1 . 2]" 1
1552 1 78 ASP QB 1 79 THR HA . . 5.070 3.724 3.584 4.219 . 0 0 "[ . 1 . 2]" 1
1553 1 78 ASP QB 1 79 THR HB . . 7.380 3.876 3.466 5.061 . 0 0 "[ . 1 . 2]" 1
1554 1 78 ASP HB2 1 79 THR HA . . 5.800 5.093 4.314 5.517 . 0 0 "[ . 1 . 2]" 1
1555 1 78 ASP HB3 1 79 THR HA . . 5.800 3.839 3.666 4.379 . 0 0 "[ . 1 . 2]" 1
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