NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451436 |
2rot   |
11043 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rot
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 1138
_Distance_constraint_stats_list.Viol_count 1113
_Distance_constraint_stats_list.Viol_total 359.528
_Distance_constraint_stats_list.Viol_max 0.236
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0162
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.154 0.050 13 0 "[ . 1 . 2]"
1 4 THR 0.375 0.054 12 0 "[ . 1 . 2]"
1 5 GLY 0.234 0.054 12 0 "[ . 1 . 2]"
1 6 LYS 0.300 0.076 16 0 "[ . 1 . 2]"
1 7 GLU 1.035 0.220 16 0 "[ . 1 . 2]"
1 8 LEU 0.571 0.092 8 0 "[ . 1 . 2]"
1 9 VAL 0.796 0.067 10 0 "[ . 1 . 2]"
1 10 LEU 0.103 0.021 17 0 "[ . 1 . 2]"
1 11 ALA 0.106 0.031 18 0 "[ . 1 . 2]"
1 12 LEU 0.113 0.012 11 0 "[ . 1 . 2]"
1 13 TYR 0.322 0.019 17 0 "[ . 1 . 2]"
1 14 ASP 0.259 0.063 17 0 "[ . 1 . 2]"
1 15 TYR 0.558 0.068 10 0 "[ . 1 . 2]"
1 16 GLN 0.027 0.006 13 0 "[ . 1 . 2]"
1 17 GLU 0.040 0.008 19 0 "[ . 1 . 2]"
1 18 LYS 0.029 0.010 11 0 "[ . 1 . 2]"
1 19 SER 0.040 0.016 17 0 "[ . 1 . 2]"
1 20 PRO 0.013 0.004 1 0 "[ . 1 . 2]"
1 21 ARG 0.029 0.010 10 0 "[ . 1 . 2]"
1 22 GLU 0.184 0.020 12 0 "[ . 1 . 2]"
1 23 VAL 0.523 0.043 13 0 "[ . 1 . 2]"
1 24 THR 0.119 0.032 18 0 "[ . 1 . 2]"
1 25 MET 0.343 0.031 18 0 "[ . 1 . 2]"
1 26 LYS 0.837 0.236 17 0 "[ . 1 . 2]"
1 27 LYS 0.468 0.068 10 0 "[ . 1 . 2]"
1 28 GLY 0.048 0.015 14 0 "[ . 1 . 2]"
1 29 ASP 0.203 0.032 10 0 "[ . 1 . 2]"
1 30 ILE 0.278 0.067 10 0 "[ . 1 . 2]"
1 31 LEU 0.299 0.028 3 0 "[ . 1 . 2]"
1 32 THR 1.278 0.090 18 0 "[ . 1 . 2]"
1 33 LEU 1.515 0.062 19 0 "[ . 1 . 2]"
1 34 LEU 1.161 0.157 18 0 "[ . 1 . 2]"
1 35 ASN 3.715 0.112 15 0 "[ . 1 . 2]"
1 36 SER 0.115 0.022 20 0 "[ . 1 . 2]"
1 37 THR 0.438 0.037 9 0 "[ . 1 . 2]"
1 38 ASN 0.386 0.037 12 0 "[ . 1 . 2]"
1 39 LYS 0.173 0.023 9 0 "[ . 1 . 2]"
1 40 ASP 0.401 0.023 8 0 "[ . 1 . 2]"
1 41 TRP 0.708 0.028 12 0 "[ . 1 . 2]"
1 42 TRP 0.904 0.039 19 0 "[ . 1 . 2]"
1 43 LYS 0.932 0.196 20 0 "[ . 1 . 2]"
1 44 VAL 3.667 0.112 15 0 "[ . 1 . 2]"
1 45 GLU 0.426 0.051 12 0 "[ . 1 . 2]"
1 46 VAL 0.862 0.042 11 0 "[ . 1 . 2]"
1 47 LYS 0.505 0.033 15 0 "[ . 1 . 2]"
1 48 ILE 0.052 0.011 8 0 "[ . 1 . 2]"
1 49 THR 0.053 0.008 15 0 "[ . 1 . 2]"
1 50 VAL 0.010 0.008 15 0 "[ . 1 . 2]"
1 51 ASN 0.008 0.005 19 0 "[ . 1 . 2]"
1 52 GLY 0.016 0.004 19 0 "[ . 1 . 2]"
1 53 LYS 0.294 0.098 15 0 "[ . 1 . 2]"
1 54 THR 0.162 0.029 15 0 "[ . 1 . 2]"
1 55 TYR 0.154 0.035 15 0 "[ . 1 . 2]"
1 56 GLU 0.232 0.035 15 0 "[ . 1 . 2]"
1 57 ARG 0.209 0.103 7 0 "[ . 1 . 2]"
1 58 GLN 1.063 0.157 18 0 "[ . 1 . 2]"
1 59 GLY 0.651 0.042 11 0 "[ . 1 . 2]"
1 60 PHE 1.643 0.107 19 0 "[ . 1 . 2]"
1 61 VAL 0.083 0.021 11 0 "[ . 1 . 2]"
1 62 PRO 1.242 0.097 19 0 "[ . 1 . 2]"
1 63 ALA 1.107 0.097 19 0 "[ . 1 . 2]"
1 64 ALA 0.002 0.002 3 0 "[ . 1 . 2]"
1 65 TYR 0.121 0.012 13 0 "[ . 1 . 2]"
1 66 VAL 0.708 0.055 10 0 "[ . 1 . 2]"
1 67 LYS 0.181 0.055 10 0 "[ . 1 . 2]"
1 68 LYS 0.035 0.008 13 0 "[ . 1 . 2]"
1 69 LEU 0.092 0.091 9 0 "[ . 1 . 2]"
1 70 ASP 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 MET QB 1 2 ASP H . . 4.510 3.314 2.097 4.034 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASP H 1 2 ASP QB . . 3.620 2.648 2.368 3.399 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP H 1 3 GLU H . . 3.520 3.080 2.662 3.461 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASP HA 1 3 GLU H . . 3.090 2.670 2.485 2.971 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASP HA 1 4 THR H . . 4.880 3.895 3.272 4.879 . 0 0 "[ . 1 . 2]" 1
6 1 2 ASP QB 1 3 GLU H . . 4.360 3.939 3.751 4.030 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU H 1 3 GLU HB2 . . 4.150 2.960 2.321 3.934 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLU H 1 3 GLU QB . . 3.360 2.635 2.292 3.316 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU H 1 3 GLU HB3 . . 4.150 3.312 2.497 4.013 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU H 1 3 GLU QG . . 4.140 3.117 2.022 4.189 0.049 3 0 "[ . 1 . 2]" 1
11 1 3 GLU H 1 4 THR H . . 3.810 2.647 1.894 3.172 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLU H 1 5 GLY H . . 4.990 4.436 2.836 4.985 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU HA 1 3 GLU QG . . 3.800 2.734 2.165 3.400 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLU HA 1 4 THR MG . . 4.280 4.161 3.797 4.330 0.050 13 0 "[ . 1 . 2]" 1
15 1 3 GLU QB 1 3 GLU QG . . 2.310 2.035 1.960 2.086 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU QB 1 4 THR H . . 4.140 3.359 1.947 4.045 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLU HB2 1 4 THR H . . 4.730 3.825 1.973 4.650 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLU HB3 1 4 THR H . . 4.730 3.892 2.297 4.653 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLU QG 1 4 THR H . . 4.710 4.147 2.752 4.681 . 0 0 "[ . 1 . 2]" 1
20 1 4 THR H 1 4 THR HB . . 4.010 3.551 2.457 3.947 . 0 0 "[ . 1 . 2]" 1
21 1 4 THR H 1 4 THR MG . . 3.780 2.342 1.908 2.802 . 0 0 "[ . 1 . 2]" 1
22 1 4 THR H 1 5 GLY H . . 3.280 2.375 1.899 2.796 . 0 0 "[ . 1 . 2]" 1
23 1 4 THR H 1 6 LYS H . . 4.860 4.610 4.180 4.861 0.001 3 0 "[ . 1 . 2]" 1
24 1 4 THR HA 1 4 THR MG . . 3.640 2.679 2.372 3.205 . 0 0 "[ . 1 . 2]" 1
25 1 4 THR HA 1 5 GLY H . . 3.520 3.279 2.930 3.526 0.006 19 0 "[ . 1 . 2]" 1
26 1 4 THR HA 1 6 LYS H . . 5.500 4.397 3.236 5.507 0.007 16 0 "[ . 1 . 2]" 1
27 1 4 THR HB 1 5 GLY H . . 4.580 4.242 3.801 4.552 . 0 0 "[ . 1 . 2]" 1
28 1 4 THR HB 1 6 LYS H . . 5.500 4.856 3.913 5.522 0.022 5 0 "[ . 1 . 2]" 1
29 1 4 THR MG 1 5 GLY H . . 4.180 3.564 1.914 4.234 0.054 12 0 "[ . 1 . 2]" 1
30 1 4 THR MG 1 6 LYS H . . 5.400 4.530 1.966 5.403 0.003 14 0 "[ . 1 . 2]" 1
31 1 5 GLY H 1 6 LYS H . . 3.550 2.790 2.352 3.150 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLY QA 1 6 LYS H . . 3.100 2.679 2.429 2.907 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLY QA 1 6 LYS HA . . 4.230 4.046 3.988 4.234 0.004 16 0 "[ . 1 . 2]" 1
34 1 5 GLY QA 1 6 LYS QD . . 4.340 3.672 2.782 4.263 . 0 0 "[ . 1 . 2]" 1
35 1 6 LYS H 1 6 LYS QB . . 3.820 2.468 2.206 2.701 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS H 1 6 LYS QD . . 3.640 2.988 1.951 3.644 0.004 13 0 "[ . 1 . 2]" 1
37 1 6 LYS H 1 6 LYS QG . . 4.210 3.215 2.087 4.099 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS H 1 7 GLU H . . 3.520 2.592 2.203 3.058 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS H 1 8 LEU H . . 5.080 4.814 3.979 5.120 0.040 8 0 "[ . 1 . 2]" 1
40 1 6 LYS HA 1 6 LYS QD . . 3.540 2.717 2.025 3.616 0.076 16 0 "[ . 1 . 2]" 1
41 1 6 LYS HA 1 6 LYS QG . . 3.360 2.580 2.092 3.397 0.037 16 0 "[ . 1 . 2]" 1
42 1 6 LYS QB 1 6 LYS QE . . 4.240 3.084 1.976 3.838 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS QB 1 7 GLU H . . 3.660 2.172 1.910 3.331 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS QB 1 32 THR MG . . 4.240 3.710 2.966 4.283 0.043 16 0 "[ . 1 . 2]" 1
45 1 6 LYS QD 1 7 GLU H . . 4.700 4.270 3.616 4.699 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS QG 1 7 GLU H . . 4.530 3.860 1.919 4.336 . 0 0 "[ . 1 . 2]" 1
47 1 7 GLU H 1 7 GLU QB . . 3.130 2.834 2.471 3.350 0.220 16 0 "[ . 1 . 2]" 1
48 1 7 GLU H 1 8 LEU H . . 3.910 3.593 2.714 3.931 0.021 1 0 "[ . 1 . 2]" 1
49 1 7 GLU H 1 32 THR MG . . 4.030 3.433 3.107 3.659 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLU H 1 33 LEU H . . 4.670 4.659 4.498 4.732 0.062 19 0 "[ . 1 . 2]" 1
51 1 7 GLU HA 1 7 GLU QG . . 3.560 2.618 2.043 3.458 . 0 0 "[ . 1 . 2]" 1
52 1 7 GLU HA 1 8 LEU H . . 2.790 2.267 2.145 2.520 . 0 0 "[ . 1 . 2]" 1
53 1 7 GLU QB 1 8 LEU H . . 3.910 3.784 3.484 4.002 0.092 8 0 "[ . 1 . 2]" 1
54 1 7 GLU QB 1 32 THR MG . . 4.260 4.088 3.161 4.312 0.052 19 0 "[ . 1 . 2]" 1
55 1 7 GLU QB 1 33 LEU H . . 4.130 3.632 2.900 3.811 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLU QB 1 33 LEU QB . . 2.880 2.099 1.852 2.407 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLU QB 1 33 LEU HG . . 5.170 3.544 3.245 3.974 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLU QG 1 8 LEU H . . 4.650 4.223 3.180 4.652 0.002 7 0 "[ . 1 . 2]" 1
59 1 7 GLU QG 1 33 LEU MD1 . . 4.620 4.280 2.946 4.622 0.002 14 0 "[ . 1 . 2]" 1
60 1 8 LEU H 1 8 LEU QB . . 2.910 2.282 2.147 2.433 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU H 1 8 LEU MD1 . . 4.570 3.787 3.420 4.232 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU H 1 8 LEU QD . . 3.980 3.268 2.328 3.659 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU H 1 8 LEU MD2 . . 4.570 3.864 2.342 4.424 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU H 1 9 VAL H . . 4.710 4.544 4.448 4.584 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU H 1 32 THR MG . . 5.310 5.156 4.744 5.332 0.022 15 0 "[ . 1 . 2]" 1
66 1 8 LEU HA 1 8 LEU MD1 . . 3.910 3.028 1.956 3.878 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU HA 1 8 LEU QD . . 2.880 2.229 1.950 2.541 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU HA 1 8 LEU MD2 . . 3.910 2.762 2.075 3.811 . 0 0 "[ . 1 . 2]" 1
69 1 8 LEU HA 1 9 VAL H . . 2.800 2.230 2.176 2.287 . 0 0 "[ . 1 . 2]" 1
70 1 8 LEU HA 1 9 VAL MG1 . . 3.840 3.840 3.775 3.865 0.025 10 0 "[ . 1 . 2]" 1
71 1 8 LEU HA 1 31 LEU H . . 4.990 4.716 4.368 4.993 0.003 6 0 "[ . 1 . 2]" 1
72 1 8 LEU HA 1 32 THR H . . 5.500 5.031 4.731 5.236 . 0 0 "[ . 1 . 2]" 1
73 1 8 LEU HA 1 32 THR HA . . 3.650 2.559 2.314 2.721 . 0 0 "[ . 1 . 2]" 1
74 1 8 LEU HA 1 32 THR MG . . 4.020 3.937 3.775 4.019 . 0 0 "[ . 1 . 2]" 1
75 1 8 LEU HA 1 33 LEU H . . 3.650 2.722 2.486 3.147 . 0 0 "[ . 1 . 2]" 1
76 1 8 LEU QB 1 8 LEU QD . . 2.370 1.894 1.812 1.982 . 0 0 "[ . 1 . 2]" 1
77 1 8 LEU QB 1 9 VAL H . . 3.820 3.055 2.674 3.612 . 0 0 "[ . 1 . 2]" 1
78 1 8 LEU QB 1 32 THR HA . . 4.540 4.324 4.056 4.548 0.008 10 0 "[ . 1 . 2]" 1
79 1 8 LEU HB2 1 9 VAL H . . 4.440 4.167 3.949 4.302 . 0 0 "[ . 1 . 2]" 1
80 1 8 LEU HB3 1 9 VAL H . . 4.440 3.155 2.719 3.882 . 0 0 "[ . 1 . 2]" 1
81 1 8 LEU QD 1 9 VAL H . . 3.680 2.877 2.081 3.190 . 0 0 "[ . 1 . 2]" 1
82 1 8 LEU QD 1 30 ILE H . . 5.440 5.345 4.907 5.455 0.015 12 0 "[ . 1 . 2]" 1
83 1 8 LEU QD 1 30 ILE HA . . 5.070 4.143 2.957 4.542 . 0 0 "[ . 1 . 2]" 1
84 1 8 LEU QD 1 31 LEU HA . . 5.280 3.568 3.169 3.973 . 0 0 "[ . 1 . 2]" 1
85 1 8 LEU QD 1 32 THR H . . 4.010 3.625 3.246 4.015 0.005 10 0 "[ . 1 . 2]" 1
86 1 8 LEU QD 1 32 THR HA . . 2.970 2.251 1.950 2.820 . 0 0 "[ . 1 . 2]" 1
87 1 8 LEU QD 1 33 LEU H . . 4.280 3.674 3.300 4.092 . 0 0 "[ . 1 . 2]" 1
88 1 9 VAL H 1 9 VAL MG1 . . 3.780 3.115 2.958 3.236 . 0 0 "[ . 1 . 2]" 1
89 1 9 VAL H 1 9 VAL MG2 . . 3.080 2.127 1.977 2.245 . 0 0 "[ . 1 . 2]" 1
90 1 9 VAL H 1 10 LEU H . . 4.760 4.411 4.330 4.478 . 0 0 "[ . 1 . 2]" 1
91 1 9 VAL H 1 30 ILE HA . . 4.410 4.412 4.352 4.477 0.067 10 0 "[ . 1 . 2]" 1
92 1 9 VAL H 1 30 ILE MG . . 3.860 3.066 2.699 3.514 . 0 0 "[ . 1 . 2]" 1
93 1 9 VAL H 1 31 LEU H . . 3.430 2.998 2.767 3.179 . 0 0 "[ . 1 . 2]" 1
94 1 9 VAL H 1 32 THR HA . . 4.420 3.673 3.535 3.789 . 0 0 "[ . 1 . 2]" 1
95 1 9 VAL HA 1 9 VAL MG1 . . 3.190 2.168 2.141 2.201 . 0 0 "[ . 1 . 2]" 1
96 1 9 VAL HA 1 9 VAL MG2 . . 3.490 3.189 3.179 3.200 . 0 0 "[ . 1 . 2]" 1
97 1 9 VAL HA 1 10 LEU H . . 2.820 2.211 2.173 2.262 . 0 0 "[ . 1 . 2]" 1
98 1 9 VAL HA 1 10 LEU QB . . 4.680 3.990 3.929 4.024 . 0 0 "[ . 1 . 2]" 1
99 1 9 VAL HA 1 67 LYS H . . 4.870 4.556 4.342 4.755 . 0 0 "[ . 1 . 2]" 1
100 1 9 VAL HA 1 68 LYS H . . 5.380 4.937 4.701 5.102 . 0 0 "[ . 1 . 2]" 1
101 1 9 VAL HA 1 68 LYS HA . . 3.370 2.565 2.134 2.905 . 0 0 "[ . 1 . 2]" 1
102 1 9 VAL HA 1 68 LYS QG . . 4.970 4.024 3.603 4.487 . 0 0 "[ . 1 . 2]" 1
103 1 9 VAL HA 1 69 LEU H . . 3.280 2.425 2.153 2.770 . 0 0 "[ . 1 . 2]" 1
104 1 9 VAL HA 1 69 LEU QB . . 4.640 3.143 2.317 4.063 . 0 0 "[ . 1 . 2]" 1
105 1 9 VAL HB 1 10 LEU H . . 3.160 2.947 2.758 3.122 . 0 0 "[ . 1 . 2]" 1
106 1 9 VAL HB 1 31 LEU H . . 5.370 4.784 4.632 4.924 . 0 0 "[ . 1 . 2]" 1
107 1 9 VAL HB 1 66 VAL HA . . 5.390 5.352 5.118 5.413 0.023 18 0 "[ . 1 . 2]" 1
108 1 9 VAL HB 1 67 LYS H . . 4.210 3.336 3.068 3.572 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL MG1 1 10 LEU H . . 3.780 3.718 3.649 3.789 0.009 10 0 "[ . 1 . 2]" 1
110 1 9 VAL MG1 1 42 TRP HB2 . . 5.500 5.429 5.296 5.508 0.008 16 0 "[ . 1 . 2]" 1
111 1 9 VAL MG1 1 42 TRP HE3 . . 3.470 2.744 2.556 2.849 . 0 0 "[ . 1 . 2]" 1
112 1 9 VAL MG1 1 42 TRP HZ2 . . 5.500 5.510 5.445 5.539 0.039 19 0 "[ . 1 . 2]" 1
113 1 9 VAL MG1 1 42 TRP HZ3 . . 3.330 2.112 1.979 2.325 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL MG1 1 67 LYS H . . 4.420 4.325 4.053 4.421 0.001 18 0 "[ . 1 . 2]" 1
115 1 9 VAL MG1 1 67 LYS HA . . 4.770 4.390 4.140 4.669 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL MG1 1 68 LYS H . . 4.240 4.040 3.865 4.191 . 0 0 "[ . 1 . 2]" 1
117 1 9 VAL MG1 1 68 LYS HA . . 2.850 1.994 1.903 2.211 . 0 0 "[ . 1 . 2]" 1
118 1 9 VAL MG1 1 68 LYS QG . . 2.930 2.624 1.984 2.920 . 0 0 "[ . 1 . 2]" 1
119 1 9 VAL MG1 1 69 LEU H . . 4.060 3.032 2.467 3.400 . 0 0 "[ . 1 . 2]" 1
120 1 9 VAL MG2 1 10 LEU H . . 4.140 3.926 3.806 4.024 . 0 0 "[ . 1 . 2]" 1
121 1 9 VAL MG2 1 42 TRP HE3 . . 4.450 3.510 3.260 3.754 . 0 0 "[ . 1 . 2]" 1
122 1 9 VAL MG2 1 42 TRP HZ3 . . 4.510 4.218 4.012 4.423 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU H 1 10 LEU HB2 . . 3.410 2.833 2.299 3.107 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU H 1 10 LEU QB . . 2.820 2.356 2.263 2.425 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU H 1 10 LEU HB3 . . 3.410 2.597 2.358 3.384 . 0 0 "[ . 1 . 2]" 1
126 1 10 LEU H 1 11 ALA H . . 4.580 4.498 4.391 4.542 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU H 1 66 VAL HA . . 5.400 5.341 5.105 5.421 0.021 17 0 "[ . 1 . 2]" 1
128 1 10 LEU H 1 66 VAL HB . . 4.430 4.105 3.942 4.224 . 0 0 "[ . 1 . 2]" 1
129 1 10 LEU H 1 67 LYS H . . 3.330 3.172 2.984 3.268 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU H 1 68 LYS HA . . 4.190 3.707 3.308 3.972 . 0 0 "[ . 1 . 2]" 1
131 1 10 LEU H 1 69 LEU H . . 4.500 3.742 3.345 4.137 . 0 0 "[ . 1 . 2]" 1
132 1 10 LEU HA 1 10 LEU QD . . 3.180 2.573 2.223 2.988 . 0 0 "[ . 1 . 2]" 1
133 1 10 LEU HA 1 10 LEU HG . . 3.770 2.772 2.260 3.321 . 0 0 "[ . 1 . 2]" 1
134 1 10 LEU HA 1 11 ALA H . . 2.710 2.212 2.151 2.277 . 0 0 "[ . 1 . 2]" 1
135 1 10 LEU HA 1 11 ALA MB . . 4.030 3.978 3.950 3.994 . 0 0 "[ . 1 . 2]" 1
136 1 10 LEU HA 1 30 ILE QG . . 4.350 2.970 2.402 3.601 . 0 0 "[ . 1 . 2]" 1
137 1 10 LEU HA 1 30 ILE MG . . 5.050 3.569 2.987 4.225 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU QB 1 67 LYS H . . 5.090 4.013 3.843 4.140 . 0 0 "[ . 1 . 2]" 1
139 1 10 LEU QD 1 11 ALA H . . 3.120 2.603 1.894 3.035 . 0 0 "[ . 1 . 2]" 1
140 1 10 LEU QD 1 28 GLY H . . 3.920 2.921 2.195 3.564 . 0 0 "[ . 1 . 2]" 1
141 1 10 LEU QD 1 28 GLY QA . . 3.570 2.236 1.916 2.710 . 0 0 "[ . 1 . 2]" 1
142 1 10 LEU QD 1 29 ASP H . . 4.030 3.512 2.940 3.939 . 0 0 "[ . 1 . 2]" 1
143 1 10 LEU HG 1 11 ALA H . . 3.830 2.698 2.166 3.822 . 0 0 "[ . 1 . 2]" 1
144 1 11 ALA H 1 11 ALA MB . . 2.890 2.223 2.135 2.315 . 0 0 "[ . 1 . 2]" 1
145 1 11 ALA H 1 28 GLY H . . 4.150 3.439 3.221 3.728 . 0 0 "[ . 1 . 2]" 1
146 1 11 ALA H 1 29 ASP H . . 4.000 3.527 3.031 3.915 . 0 0 "[ . 1 . 2]" 1
147 1 11 ALA H 1 29 ASP QB . . 4.450 3.698 3.317 4.193 . 0 0 "[ . 1 . 2]" 1
148 1 11 ALA H 1 30 ILE QG . . 5.340 4.071 3.676 4.525 . 0 0 "[ . 1 . 2]" 1
149 1 11 ALA HA 1 12 LEU H . . 2.820 2.154 2.143 2.192 . 0 0 "[ . 1 . 2]" 1
150 1 11 ALA HA 1 12 LEU HB2 . . 4.810 4.611 4.559 4.701 . 0 0 "[ . 1 . 2]" 1
151 1 11 ALA HA 1 12 LEU HG . . 4.010 3.854 3.624 3.999 . 0 0 "[ . 1 . 2]" 1
152 1 11 ALA HA 1 66 VAL HA . . 3.580 2.270 2.094 2.567 . 0 0 "[ . 1 . 2]" 1
153 1 11 ALA HA 1 66 VAL HB . . 3.620 2.726 2.541 2.967 . 0 0 "[ . 1 . 2]" 1
154 1 11 ALA HA 1 66 VAL QG . . 3.410 2.011 1.929 2.136 . 0 0 "[ . 1 . 2]" 1
155 1 11 ALA MB 1 12 LEU H . . 3.690 3.123 2.925 3.332 . 0 0 "[ . 1 . 2]" 1
156 1 11 ALA MB 1 12 LEU HA . . 4.480 4.291 4.168 4.380 . 0 0 "[ . 1 . 2]" 1
157 1 11 ALA MB 1 13 TYR H . . 3.630 3.323 3.154 3.471 . 0 0 "[ . 1 . 2]" 1
158 1 11 ALA MB 1 13 TYR QD . . 5.340 5.328 5.181 5.355 0.015 15 0 "[ . 1 . 2]" 1
159 1 11 ALA MB 1 25 MET ME . . 3.510 3.150 2.550 3.514 0.004 14 0 "[ . 1 . 2]" 1
160 1 11 ALA MB 1 25 MET HG3 . . 4.070 3.433 3.017 4.101 0.031 18 0 "[ . 1 . 2]" 1
161 1 11 ALA MB 1 27 LYS HA . . 3.600 2.839 2.479 3.278 . 0 0 "[ . 1 . 2]" 1
162 1 11 ALA MB 1 28 GLY H . . 3.300 2.754 2.312 3.122 . 0 0 "[ . 1 . 2]" 1
163 1 11 ALA MB 1 28 GLY QA . . 4.430 4.204 3.896 4.409 . 0 0 "[ . 1 . 2]" 1
164 1 11 ALA MB 1 29 ASP H . . 2.880 2.496 2.127 2.884 0.004 4 0 "[ . 1 . 2]" 1
165 1 11 ALA MB 1 29 ASP HB2 . . 3.910 3.200 2.128 3.762 . 0 0 "[ . 1 . 2]" 1
166 1 11 ALA MB 1 29 ASP QB . . 3.130 2.484 1.878 2.962 . 0 0 "[ . 1 . 2]" 1
167 1 11 ALA MB 1 29 ASP HB3 . . 3.910 2.858 1.890 3.873 . 0 0 "[ . 1 . 2]" 1
168 1 11 ALA MB 1 66 VAL HA . . 4.080 3.832 3.654 4.088 0.008 17 0 "[ . 1 . 2]" 1
169 1 11 ALA MB 1 66 VAL QG . . 3.220 2.333 2.128 2.564 . 0 0 "[ . 1 . 2]" 1
170 1 11 ALA MB 1 67 LYS H . . 5.100 4.948 4.824 5.095 . 0 0 "[ . 1 . 2]" 1
171 1 12 LEU H 1 12 LEU HB2 . . 3.250 2.496 2.443 2.579 . 0 0 "[ . 1 . 2]" 1
172 1 12 LEU H 1 12 LEU HG . . 3.190 2.526 2.253 2.714 . 0 0 "[ . 1 . 2]" 1
173 1 12 LEU H 1 13 TYR H . . 2.950 2.249 2.071 2.398 . 0 0 "[ . 1 . 2]" 1
174 1 12 LEU H 1 13 TYR QD . . 4.740 3.643 3.466 3.791 . 0 0 "[ . 1 . 2]" 1
175 1 12 LEU H 1 65 TYR HB3 . . 4.830 4.349 4.149 4.551 . 0 0 "[ . 1 . 2]" 1
176 1 12 LEU H 1 66 VAL HA . . 3.280 1.983 1.939 2.066 . 0 0 "[ . 1 . 2]" 1
177 1 12 LEU H 1 66 VAL QG . . 3.540 2.866 2.537 3.216 . 0 0 "[ . 1 . 2]" 1
178 1 12 LEU H 1 67 LYS H . . 5.260 4.170 3.997 4.292 . 0 0 "[ . 1 . 2]" 1
179 1 12 LEU HA 1 12 LEU QD . . 2.990 2.153 1.966 2.487 . 0 0 "[ . 1 . 2]" 1
180 1 12 LEU HA 1 12 LEU HG . . 3.820 3.136 2.893 3.258 . 0 0 "[ . 1 . 2]" 1
181 1 12 LEU HB2 1 13 TYR H . . 3.650 2.784 2.654 3.030 . 0 0 "[ . 1 . 2]" 1
182 1 12 LEU HB2 1 13 TYR QD . . 3.680 2.190 1.998 2.391 . 0 0 "[ . 1 . 2]" 1
183 1 12 LEU HB2 1 13 TYR QE . . 3.950 2.966 2.796 3.189 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU HB3 1 13 TYR H . . 4.650 3.833 3.682 4.046 . 0 0 "[ . 1 . 2]" 1
185 1 12 LEU HB3 1 13 TYR QD . . 4.760 3.378 3.008 3.757 . 0 0 "[ . 1 . 2]" 1
186 1 12 LEU HB3 1 13 TYR QE . . 5.150 3.352 2.948 3.838 . 0 0 "[ . 1 . 2]" 1
187 1 12 LEU QD 1 13 TYR QD . . 5.010 3.535 3.217 3.747 . 0 0 "[ . 1 . 2]" 1
188 1 12 LEU QD 1 13 TYR QE . . 3.800 2.869 2.553 3.167 . 0 0 "[ . 1 . 2]" 1
189 1 12 LEU QD 1 65 TYR HA . . 4.530 4.366 3.889 4.542 0.012 13 0 "[ . 1 . 2]" 1
190 1 12 LEU QD 1 66 VAL HA . . 4.510 3.319 2.887 3.561 . 0 0 "[ . 1 . 2]" 1
191 1 12 LEU QD 1 67 LYS H . . 4.860 3.731 3.330 4.098 . 0 0 "[ . 1 . 2]" 1
192 1 12 LEU QD 1 67 LYS QB . . 3.430 2.246 1.880 2.863 . 0 0 "[ . 1 . 2]" 1
193 1 12 LEU QD 1 67 LYS QG . . 4.080 1.884 1.731 2.059 . 0 0 "[ . 1 . 2]" 1
194 1 12 LEU HG 1 13 TYR H . . 4.340 4.324 4.233 4.352 0.012 11 0 "[ . 1 . 2]" 1
195 1 12 LEU HG 1 66 VAL H . . 5.500 4.903 4.257 5.332 . 0 0 "[ . 1 . 2]" 1
196 1 12 LEU HG 1 66 VAL HA . . 3.690 2.678 2.152 2.960 . 0 0 "[ . 1 . 2]" 1
197 1 12 LEU HG 1 66 VAL HB . . 5.320 4.581 4.090 4.760 . 0 0 "[ . 1 . 2]" 1
198 1 13 TYR H 1 13 TYR HB2 . . 3.450 2.618 2.549 2.683 . 0 0 "[ . 1 . 2]" 1
199 1 13 TYR H 1 13 TYR HB3 . . 3.990 3.760 3.720 3.795 . 0 0 "[ . 1 . 2]" 1
200 1 13 TYR H 1 13 TYR QD . . 3.940 2.546 2.380 2.793 . 0 0 "[ . 1 . 2]" 1
201 1 13 TYR H 1 14 ASP H . . 4.550 4.462 4.406 4.500 . 0 0 "[ . 1 . 2]" 1
202 1 13 TYR H 1 27 LYS HA . . 4.640 3.962 3.423 4.461 . 0 0 "[ . 1 . 2]" 1
203 1 13 TYR H 1 27 LYS QE . . 4.830 4.754 4.520 4.844 0.014 18 0 "[ . 1 . 2]" 1
204 1 13 TYR H 1 28 GLY H . . 5.470 5.379 4.996 5.485 0.015 14 0 "[ . 1 . 2]" 1
205 1 13 TYR H 1 65 TYR HB3 . . 4.230 3.213 3.136 3.301 . 0 0 "[ . 1 . 2]" 1
206 1 13 TYR H 1 66 VAL HA . . 4.740 3.817 3.730 3.883 . 0 0 "[ . 1 . 2]" 1
207 1 13 TYR H 1 66 VAL QG . . 5.030 3.638 3.332 3.865 . 0 0 "[ . 1 . 2]" 1
208 1 13 TYR HA 1 13 TYR QD . . 4.280 3.105 2.994 3.148 . 0 0 "[ . 1 . 2]" 1
209 1 13 TYR HA 1 14 ASP H . . 2.720 2.488 2.359 2.660 . 0 0 "[ . 1 . 2]" 1
210 1 13 TYR HA 1 27 LYS QD . . 4.200 3.162 2.947 3.364 . 0 0 "[ . 1 . 2]" 1
211 1 13 TYR HB2 1 14 ASP H . . 3.650 3.440 3.132 3.669 0.019 17 0 "[ . 1 . 2]" 1
212 1 13 TYR HB2 1 65 TYR HB3 . . 4.380 2.488 2.093 2.820 . 0 0 "[ . 1 . 2]" 1
213 1 13 TYR HB2 1 65 TYR QD . . 3.980 2.344 1.993 2.592 . 0 0 "[ . 1 . 2]" 1
214 1 13 TYR HB2 1 65 TYR QE . . 4.160 3.803 3.686 4.002 . 0 0 "[ . 1 . 2]" 1
215 1 13 TYR HB3 1 14 ASP H . . 3.080 2.265 1.949 2.540 . 0 0 "[ . 1 . 2]" 1
216 1 13 TYR HB3 1 65 TYR QE . . 4.100 3.505 3.313 3.661 . 0 0 "[ . 1 . 2]" 1
217 1 13 TYR QD 1 14 ASP H . . 4.330 3.768 3.550 3.946 . 0 0 "[ . 1 . 2]" 1
218 1 13 TYR QD 1 65 TYR HA . . 3.220 2.186 2.001 2.426 . 0 0 "[ . 1 . 2]" 1
219 1 13 TYR QD 1 65 TYR HB3 . . 4.000 3.599 3.489 3.731 . 0 0 "[ . 1 . 2]" 1
220 1 13 TYR QD 1 66 VAL H . . 5.490 4.643 4.283 4.819 . 0 0 "[ . 1 . 2]" 1
221 1 13 TYR QE 1 65 TYR HA . . 3.680 3.665 3.573 3.691 0.011 19 0 "[ . 1 . 2]" 1
222 1 14 ASP H 1 14 ASP HB2 . . 3.670 3.611 3.176 3.673 0.003 8 0 "[ . 1 . 2]" 1
223 1 14 ASP H 1 14 ASP HB3 . . 2.990 2.797 2.344 2.995 0.005 13 0 "[ . 1 . 2]" 1
224 1 14 ASP H 1 15 TYR H . . 4.700 4.526 4.176 4.611 . 0 0 "[ . 1 . 2]" 1
225 1 14 ASP H 1 26 LYS HA . . 4.980 4.787 4.611 4.906 . 0 0 "[ . 1 . 2]" 1
226 1 14 ASP H 1 27 LYS H . . 4.540 4.191 3.726 4.502 . 0 0 "[ . 1 . 2]" 1
227 1 14 ASP H 1 27 LYS QD . . 3.720 2.718 2.370 3.176 . 0 0 "[ . 1 . 2]" 1
228 1 14 ASP H 1 27 LYS QE . . 4.540 2.453 1.899 3.042 . 0 0 "[ . 1 . 2]" 1
229 1 14 ASP HA 1 15 TYR H . . 2.810 2.200 2.154 2.274 . 0 0 "[ . 1 . 2]" 1
230 1 14 ASP HA 1 25 MET HG3 . . 5.250 4.309 3.791 4.571 . 0 0 "[ . 1 . 2]" 1
231 1 14 ASP HA 1 26 LYS HA . . 2.400 2.037 1.987 2.219 . 0 0 "[ . 1 . 2]" 1
232 1 14 ASP HA 1 26 LYS QB . . 3.880 3.769 3.480 3.943 0.063 17 0 "[ . 1 . 2]" 1
233 1 14 ASP HA 1 27 LYS H . . 3.210 2.769 2.450 3.019 . 0 0 "[ . 1 . 2]" 1
234 1 14 ASP HA 1 27 LYS QD . . 4.420 2.879 2.610 3.038 . 0 0 "[ . 1 . 2]" 1
235 1 14 ASP HB2 1 15 TYR H . . 4.370 3.111 2.777 4.315 . 0 0 "[ . 1 . 2]" 1
236 1 14 ASP HB2 1 24 THR MG . . 5.500 5.447 5.299 5.532 0.032 18 0 "[ . 1 . 2]" 1
237 1 14 ASP HB2 1 26 LYS HA . . 3.940 3.476 2.561 3.785 . 0 0 "[ . 1 . 2]" 1
238 1 14 ASP HB2 1 26 LYS QB . . 4.660 4.045 3.086 4.466 . 0 0 "[ . 1 . 2]" 1
239 1 14 ASP HB2 1 27 LYS H . . 4.390 4.046 2.365 4.386 . 0 0 "[ . 1 . 2]" 1
240 1 14 ASP HB3 1 15 TYR H . . 4.560 4.083 3.837 4.542 . 0 0 "[ . 1 . 2]" 1
241 1 14 ASP HB3 1 27 LYS H . . 4.840 3.106 2.688 3.763 . 0 0 "[ . 1 . 2]" 1
242 1 15 TYR H 1 15 TYR HB2 . . 3.720 3.119 2.732 3.284 . 0 0 "[ . 1 . 2]" 1
243 1 15 TYR H 1 15 TYR QB . . 3.000 2.647 2.363 2.801 . 0 0 "[ . 1 . 2]" 1
244 1 15 TYR H 1 15 TYR HB3 . . 3.720 2.864 2.587 3.047 . 0 0 "[ . 1 . 2]" 1
245 1 15 TYR H 1 15 TYR QD . . 4.790 4.427 4.268 4.494 . 0 0 "[ . 1 . 2]" 1
246 1 15 TYR H 1 16 GLN H . . 4.650 4.422 4.354 4.564 . 0 0 "[ . 1 . 2]" 1
247 1 15 TYR H 1 24 THR MG . . 4.400 4.049 3.719 4.269 . 0 0 "[ . 1 . 2]" 1
248 1 15 TYR H 1 25 MET H . . 3.720 3.642 3.333 3.736 0.016 11 0 "[ . 1 . 2]" 1
249 1 15 TYR H 1 25 MET HB2 . . 4.940 4.888 4.590 4.948 0.008 16 0 "[ . 1 . 2]" 1
250 1 15 TYR H 1 25 MET HG2 . . 4.360 4.297 3.765 4.376 0.016 18 0 "[ . 1 . 2]" 1
251 1 15 TYR H 1 25 MET HG3 . . 3.760 3.241 2.854 3.533 . 0 0 "[ . 1 . 2]" 1
252 1 15 TYR H 1 26 LYS HA . . 3.840 2.853 2.652 3.474 . 0 0 "[ . 1 . 2]" 1
253 1 15 TYR H 1 27 LYS H . . 4.730 4.655 4.363 4.798 0.068 10 0 "[ . 1 . 2]" 1
254 1 15 TYR H 1 27 LYS QD . . 4.960 4.882 4.664 4.982 0.022 18 0 "[ . 1 . 2]" 1
255 1 15 TYR HA 1 15 TYR QD . . 3.430 2.469 2.278 2.681 . 0 0 "[ . 1 . 2]" 1
256 1 15 TYR HA 1 16 GLN H . . 2.850 2.341 2.222 2.416 . 0 0 "[ . 1 . 2]" 1
257 1 15 TYR HA 1 16 GLN QB . . 4.780 4.283 4.065 4.401 . 0 0 "[ . 1 . 2]" 1
258 1 15 TYR HA 1 25 MET H . . 5.120 4.996 4.815 5.129 0.009 12 0 "[ . 1 . 2]" 1
259 1 15 TYR HA 1 25 MET HG3 . . 5.500 4.743 4.478 5.045 . 0 0 "[ . 1 . 2]" 1
260 1 15 TYR QB 1 16 GLN H . . 3.950 3.336 3.165 3.549 . 0 0 "[ . 1 . 2]" 1
261 1 15 TYR QB 1 24 THR MG . . 4.420 4.200 3.468 4.425 0.005 12 0 "[ . 1 . 2]" 1
262 1 15 TYR QB 1 25 MET H . . 3.980 2.767 2.471 2.904 . 0 0 "[ . 1 . 2]" 1
263 1 15 TYR QB 1 25 MET HG3 . . 3.300 2.099 1.960 2.546 . 0 0 "[ . 1 . 2]" 1
264 1 15 TYR QB 1 62 PRO HD2 . . 4.700 3.598 3.212 4.057 . 0 0 "[ . 1 . 2]" 1
265 1 15 TYR HB2 1 16 GLN H . . 4.510 3.953 3.895 4.132 . 0 0 "[ . 1 . 2]" 1
266 1 15 TYR HB2 1 25 MET H . . 4.550 4.476 4.036 4.562 0.012 8 0 "[ . 1 . 2]" 1
267 1 15 TYR HB3 1 16 GLN H . . 4.510 3.599 3.345 3.895 . 0 0 "[ . 1 . 2]" 1
268 1 15 TYR HB3 1 25 MET H . . 4.550 2.794 2.493 2.938 . 0 0 "[ . 1 . 2]" 1
269 1 15 TYR QD 1 16 GLN H . . 3.950 2.985 2.768 3.296 . 0 0 "[ . 1 . 2]" 1
270 1 15 TYR QD 1 16 GLN QB . . 5.500 5.011 4.855 5.149 . 0 0 "[ . 1 . 2]" 1
271 1 15 TYR QD 1 16 GLN QE . . 3.390 3.204 2.550 3.396 0.006 12 0 "[ . 1 . 2]" 1
272 1 15 TYR QD 1 17 GLU H . . 5.460 4.987 4.666 5.169 . 0 0 "[ . 1 . 2]" 1
273 1 15 TYR QD 1 17 GLU HA . . 4.530 4.345 4.039 4.533 0.003 6 0 "[ . 1 . 2]" 1
274 1 15 TYR QD 1 17 GLU QB . . 5.500 4.665 4.177 5.058 . 0 0 "[ . 1 . 2]" 1
275 1 15 TYR QD 1 24 THR HA . . 4.130 3.508 3.031 3.887 . 0 0 "[ . 1 . 2]" 1
276 1 15 TYR QD 1 25 MET H . . 4.410 3.371 3.080 3.876 . 0 0 "[ . 1 . 2]" 1
277 1 15 TYR QD 1 61 VAL HB . . 5.500 4.162 3.779 4.750 . 0 0 "[ . 1 . 2]" 1
278 1 15 TYR QD 1 61 VAL MG1 . . 3.790 2.710 2.205 3.411 . 0 0 "[ . 1 . 2]" 1
279 1 15 TYR QD 1 62 PRO HD2 . . 3.940 3.299 2.890 3.857 . 0 0 "[ . 1 . 2]" 1
280 1 15 TYR QD 1 62 PRO HD3 . . 4.370 3.708 3.298 4.160 . 0 0 "[ . 1 . 2]" 1
281 1 15 TYR QD 1 62 PRO QG . . 4.140 2.877 2.498 3.701 . 0 0 "[ . 1 . 2]" 1
282 1 15 TYR QE 1 16 GLN HE21 . . 4.020 3.329 2.942 3.716 . 0 0 "[ . 1 . 2]" 1
283 1 15 TYR QE 1 16 GLN QE . . 3.400 2.970 2.407 3.323 . 0 0 "[ . 1 . 2]" 1
284 1 15 TYR QE 1 16 GLN HE22 . . 4.020 3.487 2.449 4.008 . 0 0 "[ . 1 . 2]" 1
285 1 15 TYR QE 1 17 GLU HA . . 3.660 3.532 3.345 3.664 0.004 10 0 "[ . 1 . 2]" 1
286 1 15 TYR QE 1 17 GLU QB . . 5.130 4.576 4.099 5.098 . 0 0 "[ . 1 . 2]" 1
287 1 15 TYR QE 1 18 LYS H . . 4.710 4.600 4.218 4.714 0.004 16 0 "[ . 1 . 2]" 1
288 1 15 TYR QE 1 22 GLU QB . . 4.080 3.431 3.089 4.077 . 0 0 "[ . 1 . 2]" 1
289 1 15 TYR QE 1 23 VAL H . . 5.060 4.598 4.017 5.067 0.007 12 0 "[ . 1 . 2]" 1
290 1 15 TYR QE 1 41 TRP HZ3 . . 4.340 3.539 3.113 4.035 . 0 0 "[ . 1 . 2]" 1
291 1 15 TYR QE 1 61 VAL HB . . 5.500 4.766 4.394 5.512 0.012 10 0 "[ . 1 . 2]" 1
292 1 15 TYR QE 1 61 VAL MG1 . . 4.170 3.081 2.350 4.037 . 0 0 "[ . 1 . 2]" 1
293 1 15 TYR QE 1 62 PRO HD2 . . 4.470 3.641 3.306 4.199 . 0 0 "[ . 1 . 2]" 1
294 1 15 TYR QE 1 62 PRO HD3 . . 4.290 3.045 2.706 3.527 . 0 0 "[ . 1 . 2]" 1
295 1 15 TYR QE 1 62 PRO QG . . 3.980 2.930 2.280 3.929 . 0 0 "[ . 1 . 2]" 1
296 1 16 GLN H 1 16 GLN QB . . 3.360 3.027 2.841 3.179 . 0 0 "[ . 1 . 2]" 1
297 1 16 GLN H 1 16 GLN QG . . 4.150 2.547 2.097 3.222 . 0 0 "[ . 1 . 2]" 1
298 1 16 GLN H 1 17 GLU H . . 4.490 4.440 4.341 4.496 0.006 13 0 "[ . 1 . 2]" 1
299 1 16 GLN H 1 24 THR MG . . 5.120 4.515 4.268 4.821 . 0 0 "[ . 1 . 2]" 1
300 1 16 GLN HA 1 17 GLU H . . 2.680 2.266 2.179 2.352 . 0 0 "[ . 1 . 2]" 1
301 1 16 GLN HA 1 24 THR HA . . 3.840 3.193 2.835 3.673 . 0 0 "[ . 1 . 2]" 1
302 1 16 GLN HA 1 24 THR HB . . 5.450 4.694 4.229 5.264 . 0 0 "[ . 1 . 2]" 1
303 1 16 GLN HA 1 24 THR MG . . 3.100 2.296 2.014 2.652 . 0 0 "[ . 1 . 2]" 1
304 1 16 GLN HA 1 25 MET H . . 4.600 3.899 3.592 4.251 . 0 0 "[ . 1 . 2]" 1
305 1 16 GLN QE 1 17 GLU H . . 5.340 5.069 4.847 5.341 0.001 6 0 "[ . 1 . 2]" 1
306 1 16 GLN QG 1 24 THR MG . . 5.130 4.867 4.497 5.135 0.005 13 0 "[ . 1 . 2]" 1
307 1 17 GLU H 1 17 GLU QB . . 3.010 2.611 2.365 2.797 . 0 0 "[ . 1 . 2]" 1
308 1 17 GLU H 1 17 GLU QG . . 2.970 2.137 1.956 2.390 . 0 0 "[ . 1 . 2]" 1
309 1 17 GLU H 1 18 LYS H . . 4.620 4.507 4.417 4.598 . 0 0 "[ . 1 . 2]" 1
310 1 17 GLU H 1 24 THR H . . 5.500 4.738 4.144 5.202 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLU H 1 24 THR HA . . 3.580 3.300 2.679 3.519 . 0 0 "[ . 1 . 2]" 1
312 1 17 GLU H 1 24 THR HB . . 4.870 4.378 3.750 4.855 . 0 0 "[ . 1 . 2]" 1
313 1 17 GLU H 1 24 THR MG . . 3.980 3.064 2.657 3.428 . 0 0 "[ . 1 . 2]" 1
314 1 17 GLU H 1 25 MET H . . 5.100 5.005 4.435 5.108 0.008 19 0 "[ . 1 . 2]" 1
315 1 17 GLU HA 1 18 LYS H . . 2.870 2.166 2.144 2.191 . 0 0 "[ . 1 . 2]" 1
316 1 17 GLU HA 1 19 SER H . . 4.080 3.805 3.613 4.068 . 0 0 "[ . 1 . 2]" 1
317 1 17 GLU HA 1 22 GLU QB . . 3.170 2.878 2.651 3.112 . 0 0 "[ . 1 . 2]" 1
318 1 17 GLU HA 1 61 VAL MG1 . . 5.500 5.088 4.780 5.503 0.003 19 0 "[ . 1 . 2]" 1
319 1 17 GLU QB 1 18 LYS H . . 4.100 3.117 3.013 3.234 . 0 0 "[ . 1 . 2]" 1
320 1 17 GLU QB 1 19 SER H . . 4.240 3.597 3.259 4.239 . 0 0 "[ . 1 . 2]" 1
321 1 17 GLU QB 1 24 THR HA . . 4.270 2.985 2.833 3.279 . 0 0 "[ . 1 . 2]" 1
322 1 17 GLU QG 1 23 VAL HA . . 4.500 4.121 2.702 4.502 0.002 6 0 "[ . 1 . 2]" 1
323 1 17 GLU QG 1 24 THR H . . 4.640 3.826 2.551 4.562 . 0 0 "[ . 1 . 2]" 1
324 1 17 GLU QG 1 24 THR HA . . 4.490 4.110 3.315 4.440 . 0 0 "[ . 1 . 2]" 1
325 1 17 GLU QG 1 24 THR MG . . 3.880 3.777 3.521 3.875 . 0 0 "[ . 1 . 2]" 1
326 1 18 LYS H 1 18 LYS QB . . 3.170 2.667 2.276 3.068 . 0 0 "[ . 1 . 2]" 1
327 1 18 LYS H 1 18 LYS QD . . 4.340 4.025 3.496 4.348 0.008 11 0 "[ . 1 . 2]" 1
328 1 18 LYS H 1 18 LYS QG . . 4.330 2.927 1.941 4.170 . 0 0 "[ . 1 . 2]" 1
329 1 18 LYS H 1 19 SER H . . 2.900 2.041 1.898 2.278 . 0 0 "[ . 1 . 2]" 1
330 1 18 LYS H 1 19 SER HB2 . . 5.470 5.014 4.782 5.257 . 0 0 "[ . 1 . 2]" 1
331 1 18 LYS H 1 22 GLU QB . . 3.410 2.949 2.594 3.242 . 0 0 "[ . 1 . 2]" 1
332 1 18 LYS HA 1 18 LYS QE . . 5.390 4.603 3.554 5.391 0.001 5 0 "[ . 1 . 2]" 1
333 1 18 LYS QB 1 19 SER H . . 3.720 3.157 2.484 3.606 . 0 0 "[ . 1 . 2]" 1
334 1 18 LYS QB 1 19 SER HA . . 4.830 4.405 3.982 4.633 . 0 0 "[ . 1 . 2]" 1
335 1 18 LYS QD 1 19 SER H . . 4.610 4.171 3.045 4.620 0.010 11 0 "[ . 1 . 2]" 1
336 1 18 LYS QE 1 19 SER H . . 4.960 4.338 2.848 4.962 0.002 11 0 "[ . 1 . 2]" 1
337 1 18 LYS QE 1 19 SER HB3 . . 5.480 4.647 3.623 5.464 . 0 0 "[ . 1 . 2]" 1
338 1 19 SER H 1 19 SER HB2 . . 3.880 3.115 3.054 3.177 . 0 0 "[ . 1 . 2]" 1
339 1 19 SER H 1 20 PRO HD2 . . 4.930 4.767 4.737 4.780 . 0 0 "[ . 1 . 2]" 1
340 1 19 SER H 1 22 GLU QB . . 3.020 2.631 2.312 3.019 . 0 0 "[ . 1 . 2]" 1
341 1 19 SER H 1 22 GLU QG . . 4.140 3.707 2.875 4.156 0.016 17 0 "[ . 1 . 2]" 1
342 1 19 SER HA 1 20 PRO HD2 . . 3.010 2.511 2.508 2.518 . 0 0 "[ . 1 . 2]" 1
343 1 19 SER HA 1 20 PRO HD3 . . 3.010 2.347 2.346 2.351 . 0 0 "[ . 1 . 2]" 1
344 1 19 SER HA 1 20 PRO HG3 . . 5.240 4.541 4.539 4.546 . 0 0 "[ . 1 . 2]" 1
345 1 19 SER HA 1 21 ARG H . . 4.530 3.979 3.952 4.028 . 0 0 "[ . 1 . 2]" 1
346 1 19 SER HB2 1 20 PRO HA . . 5.040 4.800 4.759 4.827 . 0 0 "[ . 1 . 2]" 1
347 1 19 SER HB2 1 20 PRO HD2 . . 2.850 2.702 2.596 2.767 . 0 0 "[ . 1 . 2]" 1
348 1 19 SER HB2 1 20 PRO HG2 . . 4.320 4.232 4.127 4.299 . 0 0 "[ . 1 . 2]" 1
349 1 19 SER HB2 1 21 ARG H . . 3.770 2.221 2.165 2.329 . 0 0 "[ . 1 . 2]" 1
350 1 19 SER HB2 1 22 GLU H . . 4.740 2.784 2.209 4.076 . 0 0 "[ . 1 . 2]" 1
351 1 19 SER HB3 1 20 PRO HA . . 5.500 5.423 5.377 5.495 . 0 0 "[ . 1 . 2]" 1
352 1 19 SER HB3 1 20 PRO HD2 . . 2.640 2.051 1.997 2.136 . 0 0 "[ . 1 . 2]" 1
353 1 19 SER HB3 1 20 PRO HD3 . . 3.360 3.301 3.269 3.353 . 0 0 "[ . 1 . 2]" 1
354 1 19 SER HB3 1 20 PRO HG3 . . 5.220 4.735 4.685 4.815 . 0 0 "[ . 1 . 2]" 1
355 1 19 SER HB3 1 21 ARG H . . 4.120 3.410 3.347 3.504 . 0 0 "[ . 1 . 2]" 1
356 1 19 SER HB3 1 21 ARG QB . . 5.340 4.305 3.905 5.288 . 0 0 "[ . 1 . 2]" 1
357 1 20 PRO HA 1 22 GLU H . . 4.250 4.175 3.679 4.254 0.004 1 0 "[ . 1 . 2]" 1
358 1 20 PRO QB 1 21 ARG H . . 4.450 3.545 3.469 3.585 . 0 0 "[ . 1 . 2]" 1
359 1 20 PRO HD2 1 21 ARG H . . 4.570 2.801 2.736 2.838 . 0 0 "[ . 1 . 2]" 1
360 1 20 PRO HD3 1 21 ARG H . . 4.420 3.924 3.891 3.944 . 0 0 "[ . 1 . 2]" 1
361 1 21 ARG H 1 21 ARG QB . . 2.950 2.384 2.123 2.878 . 0 0 "[ . 1 . 2]" 1
362 1 21 ARG H 1 21 ARG QG . . 4.140 3.144 1.933 4.076 . 0 0 "[ . 1 . 2]" 1
363 1 21 ARG H 1 22 GLU H . . 3.000 2.271 2.021 3.004 0.004 19 0 "[ . 1 . 2]" 1
364 1 21 ARG QB 1 21 ARG QD . . 3.130 2.212 2.015 2.410 . 0 0 "[ . 1 . 2]" 1
365 1 21 ARG QB 1 22 GLU H . . 4.190 3.170 2.816 4.012 . 0 0 "[ . 1 . 2]" 1
366 1 21 ARG QB 1 59 GLY QA . . 5.130 4.241 3.747 4.826 . 0 0 "[ . 1 . 2]" 1
367 1 21 ARG QB 1 60 PHE QD . . 4.110 2.988 2.496 3.627 . 0 0 "[ . 1 . 2]" 1
368 1 21 ARG QD 1 60 PHE QD . . 4.210 3.743 2.215 4.176 . 0 0 "[ . 1 . 2]" 1
369 1 21 ARG QG 1 60 PHE QD . . 4.490 3.558 1.986 4.500 0.010 10 0 "[ . 1 . 2]" 1
370 1 22 GLU H 1 22 GLU QB . . 3.180 2.341 2.130 2.674 . 0 0 "[ . 1 . 2]" 1
371 1 22 GLU H 1 22 GLU QG . . 3.830 3.086 2.365 3.746 . 0 0 "[ . 1 . 2]" 1
372 1 22 GLU H 1 23 VAL H . . 4.710 4.554 4.356 4.608 . 0 0 "[ . 1 . 2]" 1
373 1 22 GLU HA 1 22 GLU QG . . 3.730 2.293 2.088 2.507 . 0 0 "[ . 1 . 2]" 1
374 1 22 GLU HA 1 23 VAL H . . 3.070 2.405 2.216 2.604 . 0 0 "[ . 1 . 2]" 1
375 1 22 GLU HA 1 23 VAL MG1 . . 5.190 3.740 3.353 3.991 . 0 0 "[ . 1 . 2]" 1
376 1 22 GLU HA 1 23 VAL MG2 . . 4.930 3.492 3.330 3.827 . 0 0 "[ . 1 . 2]" 1
377 1 22 GLU HA 1 59 GLY QA . . 4.280 2.723 2.087 3.224 . 0 0 "[ . 1 . 2]" 1
378 1 22 GLU HA 1 60 PHE H . . 2.940 2.253 1.959 2.686 . 0 0 "[ . 1 . 2]" 1
379 1 22 GLU HA 1 60 PHE HB2 . . 3.830 3.790 3.243 3.850 0.020 12 0 "[ . 1 . 2]" 1
380 1 22 GLU QB 1 23 VAL H . . 3.640 2.460 2.014 3.315 . 0 0 "[ . 1 . 2]" 1
381 1 22 GLU QB 1 23 VAL HA . . 4.810 4.072 3.901 4.239 . 0 0 "[ . 1 . 2]" 1
382 1 22 GLU QB 1 60 PHE H . . 4.870 4.053 3.545 4.652 . 0 0 "[ . 1 . 2]" 1
383 1 22 GLU QG 1 23 VAL H . . 4.260 3.599 2.764 4.142 . 0 0 "[ . 1 . 2]" 1
384 1 22 GLU QG 1 60 PHE H . . 4.550 2.877 2.215 3.484 . 0 0 "[ . 1 . 2]" 1
385 1 22 GLU QG 1 60 PHE HB2 . . 3.290 2.420 1.998 3.175 . 0 0 "[ . 1 . 2]" 1
386 1 23 VAL H 1 23 VAL HB . . 3.940 3.752 3.678 3.844 . 0 0 "[ . 1 . 2]" 1
387 1 23 VAL H 1 23 VAL MG2 . . 3.290 2.041 1.907 2.241 . 0 0 "[ . 1 . 2]" 1
388 1 23 VAL H 1 59 GLY QA . . 4.570 3.178 2.519 3.689 . 0 0 "[ . 1 . 2]" 1
389 1 23 VAL H 1 60 PHE H . . 4.080 3.773 3.221 4.087 0.007 14 0 "[ . 1 . 2]" 1
390 1 23 VAL H 1 60 PHE QD . . 5.500 5.335 4.717 5.518 0.018 19 0 "[ . 1 . 2]" 1
391 1 23 VAL H 1 61 VAL MG1 . . 3.700 2.844 2.571 3.162 . 0 0 "[ . 1 . 2]" 1
392 1 23 VAL H 1 61 VAL MG2 . . 5.200 4.855 4.645 5.105 . 0 0 "[ . 1 . 2]" 1
393 1 23 VAL HA 1 23 VAL MG1 . . 3.380 2.197 2.086 2.410 . 0 0 "[ . 1 . 2]" 1
394 1 23 VAL HA 1 24 THR H . . 2.880 2.280 2.221 2.469 . 0 0 "[ . 1 . 2]" 1
395 1 23 VAL HA 1 24 THR HB . . 4.870 4.715 4.662 4.878 0.008 17 0 "[ . 1 . 2]" 1
396 1 23 VAL HA 1 46 VAL QG . . 4.140 3.983 3.765 4.116 . 0 0 "[ . 1 . 2]" 1
397 1 23 VAL HB 1 24 THR H . . 3.100 2.718 2.223 2.901 . 0 0 "[ . 1 . 2]" 1
398 1 23 VAL HB 1 24 THR HB . . 5.500 4.901 4.651 5.023 . 0 0 "[ . 1 . 2]" 1
399 1 23 VAL HB 1 46 VAL QG . . 2.980 2.430 2.148 2.617 . 0 0 "[ . 1 . 2]" 1
400 1 23 VAL HB 1 59 GLY QA . . 5.500 4.389 3.878 4.877 . 0 0 "[ . 1 . 2]" 1
401 1 23 VAL MG1 1 24 THR H . . 4.390 3.614 3.422 3.791 . 0 0 "[ . 1 . 2]" 1
402 1 23 VAL MG1 1 46 VAL H . . 4.410 3.794 3.406 4.090 . 0 0 "[ . 1 . 2]" 1
403 1 23 VAL MG1 1 46 VAL HB . . 4.020 4.001 3.589 4.059 0.039 16 0 "[ . 1 . 2]" 1
404 1 23 VAL MG1 1 58 GLN HA . . 4.790 4.093 3.802 4.368 . 0 0 "[ . 1 . 2]" 1
405 1 23 VAL MG1 1 59 GLY H . . 3.670 3.305 2.953 3.666 . 0 0 "[ . 1 . 2]" 1
406 1 23 VAL MG1 1 59 GLY QA . . 3.690 2.112 1.915 2.484 . 0 0 "[ . 1 . 2]" 1
407 1 23 VAL MG1 1 60 PHE H . . 4.830 4.457 4.118 4.730 . 0 0 "[ . 1 . 2]" 1
408 1 23 VAL MG2 1 24 THR H . . 4.030 3.815 3.498 3.964 . 0 0 "[ . 1 . 2]" 1
409 1 23 VAL MG2 1 44 VAL MG2 . . 2.550 2.523 2.362 2.593 0.043 13 0 "[ . 1 . 2]" 1
410 1 23 VAL MG2 1 60 PHE H . . 4.390 3.802 3.544 4.101 . 0 0 "[ . 1 . 2]" 1
411 1 23 VAL MG2 1 61 VAL MG1 . . 2.520 2.049 1.788 2.471 . 0 0 "[ . 1 . 2]" 1
412 1 24 THR H 1 24 THR HB . . 3.020 2.513 2.484 2.606 . 0 0 "[ . 1 . 2]" 1
413 1 24 THR H 1 24 THR MG . . 4.040 3.790 3.780 3.819 . 0 0 "[ . 1 . 2]" 1
414 1 24 THR H 1 25 MET H . . 4.740 4.496 4.431 4.598 . 0 0 "[ . 1 . 2]" 1
415 1 24 THR H 1 46 VAL QG . . 4.310 4.089 3.560 4.320 0.010 20 0 "[ . 1 . 2]" 1
416 1 24 THR HA 1 24 THR MG . . 3.260 2.348 2.213 2.389 . 0 0 "[ . 1 . 2]" 1
417 1 24 THR HA 1 25 MET H . . 2.800 2.163 2.142 2.282 . 0 0 "[ . 1 . 2]" 1
418 1 24 THR HB 1 25 MET H . . 4.620 4.166 3.734 4.302 . 0 0 "[ . 1 . 2]" 1
419 1 24 THR MG 1 25 MET H . . 3.180 2.413 1.938 2.804 . 0 0 "[ . 1 . 2]" 1
420 1 24 THR MG 1 25 MET HA . . 3.650 3.608 3.438 3.659 0.009 16 0 "[ . 1 . 2]" 1
421 1 25 MET H 1 25 MET HB2 . . 3.980 3.785 3.732 3.894 . 0 0 "[ . 1 . 2]" 1
422 1 25 MET H 1 25 MET HB3 . . 4.100 3.271 3.089 3.483 . 0 0 "[ . 1 . 2]" 1
423 1 25 MET H 1 25 MET HG2 . . 3.560 2.309 2.017 3.386 . 0 0 "[ . 1 . 2]" 1
424 1 25 MET H 1 25 MET HG3 . . 4.070 2.888 1.950 3.259 . 0 0 "[ . 1 . 2]" 1
425 1 25 MET H 1 26 LYS H . . 4.680 4.416 4.110 4.480 . 0 0 "[ . 1 . 2]" 1
426 1 25 MET HA 1 26 LYS H . . 2.840 2.297 2.145 2.391 . 0 0 "[ . 1 . 2]" 1
427 1 25 MET HA 1 29 ASP HB2 . . 4.870 3.730 3.277 4.442 . 0 0 "[ . 1 . 2]" 1
428 1 25 MET HA 1 29 ASP QB . . 4.000 3.323 3.061 3.647 . 0 0 "[ . 1 . 2]" 1
429 1 25 MET HA 1 29 ASP HB3 . . 4.870 3.769 3.478 4.163 . 0 0 "[ . 1 . 2]" 1
430 1 25 MET HA 1 31 LEU QD . . 4.200 3.698 3.287 3.924 . 0 0 "[ . 1 . 2]" 1
431 1 25 MET HB2 1 25 MET ME . . 4.000 3.613 2.477 3.933 . 0 0 "[ . 1 . 2]" 1
432 1 25 MET HB2 1 26 LYS H . . 3.420 2.741 2.455 3.373 . 0 0 "[ . 1 . 2]" 1
433 1 25 MET HB2 1 29 ASP H . . 5.420 4.924 4.621 5.388 . 0 0 "[ . 1 . 2]" 1
434 1 25 MET HB2 1 29 ASP QB . . 4.020 3.000 2.489 3.662 . 0 0 "[ . 1 . 2]" 1
435 1 25 MET HB2 1 31 LEU QD . . 3.420 3.057 2.768 3.436 0.016 17 0 "[ . 1 . 2]" 1
436 1 25 MET HB2 1 66 VAL QG . . 4.690 3.807 3.372 4.041 . 0 0 "[ . 1 . 2]" 1
437 1 25 MET HB3 1 26 LYS H . . 4.170 3.858 3.665 4.173 0.003 15 0 "[ . 1 . 2]" 1
438 1 25 MET HB3 1 29 ASP QB . . 4.630 3.953 3.618 4.575 . 0 0 "[ . 1 . 2]" 1
439 1 25 MET HB3 1 31 LEU QD . . 3.180 2.490 2.165 2.758 . 0 0 "[ . 1 . 2]" 1
440 1 25 MET ME 1 62 PRO HD3 . . 5.070 3.749 3.314 5.067 . 0 0 "[ . 1 . 2]" 1
441 1 25 MET ME 1 66 VAL HA . . 4.890 4.443 4.028 4.895 0.005 10 0 "[ . 1 . 2]" 1
442 1 25 MET ME 1 66 VAL QG . . 2.400 1.901 1.834 2.148 . 0 0 "[ . 1 . 2]" 1
443 1 25 MET HG2 1 61 VAL MG1 . . 3.740 2.692 2.101 3.115 . 0 0 "[ . 1 . 2]" 1
444 1 25 MET HG3 1 61 VAL MG1 . . 4.440 3.936 3.343 4.340 . 0 0 "[ . 1 . 2]" 1
445 1 26 LYS H 1 26 LYS QB . . 3.110 2.733 2.308 3.072 . 0 0 "[ . 1 . 2]" 1
446 1 26 LYS H 1 26 LYS QG . . 3.730 3.014 2.272 3.966 0.236 17 0 "[ . 1 . 2]" 1
447 1 26 LYS H 1 27 LYS H . . 4.560 4.438 4.371 4.541 . 0 0 "[ . 1 . 2]" 1
448 1 26 LYS H 1 29 ASP HB2 . . 4.150 2.240 1.941 2.926 . 0 0 "[ . 1 . 2]" 1
449 1 26 LYS H 1 29 ASP QB . . 3.590 2.148 1.871 2.711 . 0 0 "[ . 1 . 2]" 1
450 1 26 LYS H 1 29 ASP HB3 . . 4.150 2.900 2.274 3.621 . 0 0 "[ . 1 . 2]" 1
451 1 26 LYS H 1 31 LEU QD . . 4.640 4.441 4.158 4.649 0.009 11 0 "[ . 1 . 2]" 1
452 1 26 LYS HA 1 26 LYS QE . . 4.510 4.104 3.324 4.496 . 0 0 "[ . 1 . 2]" 1
453 1 26 LYS HA 1 26 LYS QG . . 3.690 2.827 2.284 3.407 . 0 0 "[ . 1 . 2]" 1
454 1 26 LYS HA 1 27 LYS H . . 2.780 2.338 2.237 2.480 . 0 0 "[ . 1 . 2]" 1
455 1 26 LYS QB 1 26 LYS QG . . 2.400 2.057 2.005 2.087 . 0 0 "[ . 1 . 2]" 1
456 1 26 LYS QB 1 27 LYS H . . 3.610 2.715 2.240 3.502 . 0 0 "[ . 1 . 2]" 1
457 1 26 LYS QB 1 29 ASP QB . . 5.140 3.509 2.985 4.083 . 0 0 "[ . 1 . 2]" 1
458 1 27 LYS H 1 27 LYS QE . . 4.100 3.839 3.629 4.122 0.022 10 0 "[ . 1 . 2]" 1
459 1 27 LYS H 1 29 ASP H . . 4.720 4.671 4.411 4.752 0.032 10 0 "[ . 1 . 2]" 1
460 1 27 LYS HA 1 27 LYS QD . . 4.050 3.641 3.128 3.887 . 0 0 "[ . 1 . 2]" 1
461 1 27 LYS HA 1 29 ASP H . . 4.340 3.612 3.488 3.765 . 0 0 "[ . 1 . 2]" 1
462 1 27 LYS QB 1 27 LYS QE . . 3.840 2.668 1.952 3.743 . 0 0 "[ . 1 . 2]" 1
463 1 27 LYS QG 1 29 ASP H . . 5.500 5.233 4.959 5.509 0.009 11 0 "[ . 1 . 2]" 1
464 1 28 GLY H 1 29 ASP H . . 3.070 2.345 2.136 2.773 . 0 0 "[ . 1 . 2]" 1
465 1 29 ASP H 1 29 ASP HB2 . . 3.590 2.400 2.153 2.855 . 0 0 "[ . 1 . 2]" 1
466 1 29 ASP H 1 29 ASP QB . . 2.790 2.215 2.114 2.346 . 0 0 "[ . 1 . 2]" 1
467 1 29 ASP H 1 29 ASP HB3 . . 3.590 2.909 2.296 3.578 . 0 0 "[ . 1 . 2]" 1
468 1 29 ASP H 1 30 ILE H . . 4.640 4.611 4.578 4.627 . 0 0 "[ . 1 . 2]" 1
469 1 29 ASP HA 1 30 ILE H . . 2.720 2.326 2.194 2.464 . 0 0 "[ . 1 . 2]" 1
470 1 29 ASP QB 1 30 ILE H . . 3.620 3.113 2.309 3.626 0.006 9 0 "[ . 1 . 2]" 1
471 1 29 ASP QB 1 31 LEU QD . . 3.500 2.991 2.262 3.443 . 0 0 "[ . 1 . 2]" 1
472 1 29 ASP HB2 1 30 ILE H . . 4.150 3.982 3.746 4.148 . 0 0 "[ . 1 . 2]" 1
473 1 29 ASP HB2 1 31 LEU QD . . 4.270 4.141 3.234 4.281 0.011 9 0 "[ . 1 . 2]" 1
474 1 29 ASP HB3 1 30 ILE H . . 4.150 3.326 2.331 4.163 0.013 9 0 "[ . 1 . 2]" 1
475 1 29 ASP HB3 1 31 LEU QD . . 4.270 3.081 2.310 3.642 . 0 0 "[ . 1 . 2]" 1
476 1 30 ILE H 1 30 ILE HB . . 3.080 2.753 2.616 2.901 . 0 0 "[ . 1 . 2]" 1
477 1 30 ILE H 1 30 ILE QG . . 3.990 2.860 2.501 3.449 . 0 0 "[ . 1 . 2]" 1
478 1 30 ILE H 1 30 ILE MG . . 4.570 3.894 3.841 3.955 . 0 0 "[ . 1 . 2]" 1
479 1 30 ILE H 1 31 LEU H . . 4.780 4.304 4.152 4.408 . 0 0 "[ . 1 . 2]" 1
480 1 30 ILE H 1 31 LEU QD . . 4.670 3.611 2.701 4.306 . 0 0 "[ . 1 . 2]" 1
481 1 30 ILE HA 1 30 ILE QG . . 3.590 2.450 2.316 2.501 . 0 0 "[ . 1 . 2]" 1
482 1 30 ILE HA 1 30 ILE MG . . 3.100 2.324 2.254 2.396 . 0 0 "[ . 1 . 2]" 1
483 1 30 ILE HA 1 31 LEU H . . 2.730 2.158 2.140 2.206 . 0 0 "[ . 1 . 2]" 1
484 1 30 ILE QG 1 30 ILE MG . . 2.590 2.198 1.930 2.293 . 0 0 "[ . 1 . 2]" 1
485 1 30 ILE QG 1 31 LEU H . . 4.770 4.184 4.029 4.302 . 0 0 "[ . 1 . 2]" 1
486 1 30 ILE HG12 1 30 ILE MG . . 3.340 2.248 1.972 2.349 . 0 0 "[ . 1 . 2]" 1
487 1 30 ILE HG13 1 30 ILE MG . . 3.340 3.113 2.672 3.202 . 0 0 "[ . 1 . 2]" 1
488 1 30 ILE MG 1 31 LEU H . . 3.420 2.413 2.045 2.802 . 0 0 "[ . 1 . 2]" 1
489 1 31 LEU H 1 31 LEU HB2 . . 3.570 2.813 2.658 2.963 . 0 0 "[ . 1 . 2]" 1
490 1 31 LEU H 1 31 LEU HB3 . . 3.870 3.815 3.778 3.875 0.005 19 0 "[ . 1 . 2]" 1
491 1 31 LEU H 1 31 LEU QD . . 3.660 2.661 2.134 3.391 . 0 0 "[ . 1 . 2]" 1
492 1 31 LEU H 1 32 THR H . . 4.730 4.467 4.441 4.498 . 0 0 "[ . 1 . 2]" 1
493 1 31 LEU HA 1 31 LEU QD . . 3.340 2.606 1.928 3.223 . 0 0 "[ . 1 . 2]" 1
494 1 31 LEU HA 1 32 THR H . . 2.860 2.426 2.306 2.533 . 0 0 "[ . 1 . 2]" 1
495 1 31 LEU HA 1 32 THR HB . . 4.970 4.842 4.752 4.957 . 0 0 "[ . 1 . 2]" 1
496 1 31 LEU HB2 1 31 LEU QD . . 3.110 2.120 1.936 2.409 . 0 0 "[ . 1 . 2]" 1
497 1 31 LEU HB2 1 32 THR H . . 4.070 3.323 3.086 3.585 . 0 0 "[ . 1 . 2]" 1
498 1 31 LEU HB2 1 44 VAL HB . . 3.700 2.328 2.001 2.841 . 0 0 "[ . 1 . 2]" 1
499 1 31 LEU HB2 1 44 VAL MG1 . . 3.310 2.495 2.416 2.587 . 0 0 "[ . 1 . 2]" 1
500 1 31 LEU HB2 1 44 VAL MG2 . . 3.720 2.801 2.560 2.989 . 0 0 "[ . 1 . 2]" 1
501 1 31 LEU HB3 1 31 LEU QD . . 3.080 2.051 1.930 2.407 . 0 0 "[ . 1 . 2]" 1
502 1 31 LEU HB3 1 32 THR H . . 3.190 2.461 2.208 2.709 . 0 0 "[ . 1 . 2]" 1
503 1 31 LEU HB3 1 32 THR HA . . 5.500 4.838 4.633 4.950 . 0 0 "[ . 1 . 2]" 1
504 1 31 LEU HB3 1 44 VAL HB . . 3.650 2.096 1.984 2.307 . 0 0 "[ . 1 . 2]" 1
505 1 31 LEU HB3 1 44 VAL MG2 . . 3.500 2.963 1.967 3.250 . 0 0 "[ . 1 . 2]" 1
506 1 31 LEU HB3 1 45 GLU H . . 4.230 3.418 3.008 3.729 . 0 0 "[ . 1 . 2]" 1
507 1 31 LEU QD 1 32 THR H . . 3.970 3.675 3.372 3.974 0.004 10 0 "[ . 1 . 2]" 1
508 1 31 LEU QD 1 45 GLU H . . 4.650 4.282 3.825 4.653 0.003 4 0 "[ . 1 . 2]" 1
509 1 31 LEU QD 1 46 VAL H . . 4.750 4.521 4.147 4.756 0.006 20 0 "[ . 1 . 2]" 1
510 1 31 LEU QD 1 46 VAL HA . . 3.870 3.346 2.707 3.876 0.006 7 0 "[ . 1 . 2]" 1
511 1 31 LEU QD 1 47 LYS H . . 5.040 4.595 3.905 5.068 0.028 3 0 "[ . 1 . 2]" 1
512 1 32 THR H 1 32 THR HB . . 3.060 2.585 2.529 2.644 . 0 0 "[ . 1 . 2]" 1
513 1 32 THR H 1 32 THR MG . . 4.030 3.821 3.805 3.833 . 0 0 "[ . 1 . 2]" 1
514 1 32 THR H 1 33 LEU H . . 4.770 4.247 4.171 4.343 . 0 0 "[ . 1 . 2]" 1
515 1 32 THR H 1 44 VAL HA . . 5.500 4.514 4.301 4.737 . 0 0 "[ . 1 . 2]" 1
516 1 32 THR H 1 44 VAL HB . . 4.070 3.171 2.849 3.284 . 0 0 "[ . 1 . 2]" 1
517 1 32 THR H 1 45 GLU H . . 3.980 2.644 2.465 2.835 . 0 0 "[ . 1 . 2]" 1
518 1 32 THR H 1 45 GLU HB3 . . 4.290 3.494 3.336 3.777 . 0 0 "[ . 1 . 2]" 1
519 1 32 THR HA 1 32 THR MG . . 3.200 2.353 2.297 2.391 . 0 0 "[ . 1 . 2]" 1
520 1 32 THR HA 1 33 LEU H . . 2.880 2.165 2.146 2.181 . 0 0 "[ . 1 . 2]" 1
521 1 32 THR HB 1 33 LEU H . . 4.600 4.361 4.256 4.421 . 0 0 "[ . 1 . 2]" 1
522 1 32 THR HB 1 34 LEU QD . . 5.140 3.857 3.332 4.647 . 0 0 "[ . 1 . 2]" 1
523 1 32 THR HB 1 44 VAL MG1 . . 4.850 4.883 4.861 4.940 0.090 18 0 "[ . 1 . 2]" 1
524 1 32 THR HB 1 45 GLU H . . 3.860 2.863 2.676 3.112 . 0 0 "[ . 1 . 2]" 1
525 1 32 THR HB 1 45 GLU HB2 . . 4.400 3.190 2.725 3.723 . 0 0 "[ . 1 . 2]" 1
526 1 32 THR HB 1 45 GLU HB3 . . 3.310 2.101 1.985 2.225 . 0 0 "[ . 1 . 2]" 1
527 1 32 THR HB 1 45 GLU QG . . 4.250 4.103 3.621 4.254 0.004 19 0 "[ . 1 . 2]" 1
528 1 32 THR MG 1 33 LEU H . . 3.010 2.949 2.767 3.020 0.010 8 0 "[ . 1 . 2]" 1
529 1 32 THR MG 1 33 LEU HA . . 4.340 4.354 4.343 4.377 0.037 18 0 "[ . 1 . 2]" 1
530 1 32 THR MG 1 33 LEU QB . . 4.760 3.966 3.882 4.037 . 0 0 "[ . 1 . 2]" 1
531 1 32 THR MG 1 45 GLU H . . 4.290 3.961 3.787 4.170 . 0 0 "[ . 1 . 2]" 1
532 1 32 THR MG 1 45 GLU HB3 . . 4.320 3.400 3.183 3.674 . 0 0 "[ . 1 . 2]" 1
533 1 33 LEU H 1 33 LEU QB . . 3.130 2.095 2.069 2.124 . 0 0 "[ . 1 . 2]" 1
534 1 33 LEU H 1 33 LEU MD1 . . 4.320 4.206 4.174 4.236 . 0 0 "[ . 1 . 2]" 1
535 1 33 LEU H 1 33 LEU MD2 . . 3.980 3.410 3.290 3.517 . 0 0 "[ . 1 . 2]" 1
536 1 33 LEU HA 1 33 LEU MD1 . . 4.160 2.246 2.095 2.368 . 0 0 "[ . 1 . 2]" 1
537 1 33 LEU HA 1 33 LEU MD2 . . 2.970 2.220 2.141 2.304 . 0 0 "[ . 1 . 2]" 1
538 1 33 LEU HA 1 33 LEU HG . . 3.710 3.689 3.675 3.703 . 0 0 "[ . 1 . 2]" 1
539 1 33 LEU HA 1 34 LEU H . . 2.960 2.153 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
540 1 33 LEU HA 1 35 ASN H . . 3.940 3.835 3.670 3.986 0.046 12 0 "[ . 1 . 2]" 1
541 1 33 LEU HA 1 44 VAL HA . . 3.530 2.491 2.323 2.692 . 0 0 "[ . 1 . 2]" 1
542 1 33 LEU HA 1 44 VAL HB . . 4.580 3.822 3.541 3.894 . 0 0 "[ . 1 . 2]" 1
543 1 33 LEU HA 1 44 VAL MG1 . . 3.160 1.890 1.875 1.932 . 0 0 "[ . 1 . 2]" 1
544 1 33 LEU HA 1 45 GLU H . . 4.490 3.959 3.831 4.072 . 0 0 "[ . 1 . 2]" 1
545 1 33 LEU QB 1 33 LEU MD1 . . 3.070 2.375 2.350 2.398 . 0 0 "[ . 1 . 2]" 1
546 1 33 LEU QB 1 33 LEU HG . . 2.780 2.166 2.163 2.168 . 0 0 "[ . 1 . 2]" 1
547 1 33 LEU QB 1 34 LEU H . . 4.530 3.832 3.761 3.890 . 0 0 "[ . 1 . 2]" 1
548 1 33 LEU QB 1 44 VAL MG1 . . 3.590 3.117 3.030 3.174 . 0 0 "[ . 1 . 2]" 1
549 1 33 LEU MD1 1 34 LEU H . . 4.040 2.361 2.193 2.537 . 0 0 "[ . 1 . 2]" 1
550 1 33 LEU MD1 1 34 LEU HA . . 4.200 3.784 3.685 3.872 . 0 0 "[ . 1 . 2]" 1
551 1 33 LEU MD1 1 34 LEU HB3 . . 4.350 4.300 4.112 4.364 0.014 3 0 "[ . 1 . 2]" 1
552 1 33 LEU MD1 1 35 ASN HA . . 4.410 3.298 3.209 3.408 . 0 0 "[ . 1 . 2]" 1
553 1 33 LEU MD1 1 35 ASN HB3 . . 4.320 4.318 4.174 4.378 0.058 5 0 "[ . 1 . 2]" 1
554 1 33 LEU MD1 1 35 ASN HD21 . . 5.090 4.696 4.417 5.097 0.007 20 0 "[ . 1 . 2]" 1
555 1 33 LEU MD1 1 36 SER H . . 4.930 2.991 2.855 3.186 . 0 0 "[ . 1 . 2]" 1
556 1 33 LEU MD1 1 36 SER HA . . 4.630 2.708 2.585 2.891 . 0 0 "[ . 1 . 2]" 1
557 1 33 LEU MD1 1 36 SER HB2 . . 3.760 3.229 2.674 3.462 . 0 0 "[ . 1 . 2]" 1
558 1 33 LEU MD1 1 36 SER HB3 . . 3.070 1.946 1.880 1.979 . 0 0 "[ . 1 . 2]" 1
559 1 33 LEU MD1 1 42 TRP HB3 . . 4.160 3.604 3.454 3.776 . 0 0 "[ . 1 . 2]" 1
560 1 33 LEU MD1 1 42 TRP HD1 . . 4.900 4.910 4.859 4.928 0.028 20 0 "[ . 1 . 2]" 1
561 1 33 LEU MD1 1 42 TRP HE3 . . 4.950 4.289 4.057 4.554 . 0 0 "[ . 1 . 2]" 1
562 1 33 LEU MD2 1 34 LEU H . . 3.970 3.713 3.520 3.876 . 0 0 "[ . 1 . 2]" 1
563 1 33 LEU MD2 1 35 ASN H . . 4.500 4.160 3.813 4.334 . 0 0 "[ . 1 . 2]" 1
564 1 33 LEU MD2 1 36 SER H . . 5.450 5.223 5.082 5.360 . 0 0 "[ . 1 . 2]" 1
565 1 33 LEU MD2 1 36 SER HB2 . . 4.820 4.332 3.529 4.669 . 0 0 "[ . 1 . 2]" 1
566 1 33 LEU MD2 1 36 SER HB3 . . 3.640 3.289 3.044 3.662 0.022 20 0 "[ . 1 . 2]" 1
567 1 33 LEU MD2 1 42 TRP HA . . 4.500 4.266 4.017 4.373 . 0 0 "[ . 1 . 2]" 1
568 1 33 LEU MD2 1 42 TRP HB3 . . 3.110 2.463 2.293 2.559 . 0 0 "[ . 1 . 2]" 1
569 1 33 LEU MD2 1 42 TRP HE3 . . 3.230 2.231 2.154 2.326 . 0 0 "[ . 1 . 2]" 1
570 1 33 LEU MD2 1 42 TRP HZ3 . . 4.460 2.897 2.673 3.307 . 0 0 "[ . 1 . 2]" 1
571 1 33 LEU MD2 1 43 LYS H . . 4.020 3.941 3.614 4.058 0.038 19 0 "[ . 1 . 2]" 1
572 1 33 LEU MD2 1 44 VAL HA . . 4.020 3.779 3.470 3.882 . 0 0 "[ . 1 . 2]" 1
573 1 34 LEU H 1 34 LEU HB2 . . 3.360 2.335 2.233 2.460 . 0 0 "[ . 1 . 2]" 1
574 1 34 LEU H 1 34 LEU HB3 . . 3.270 2.948 2.795 3.023 . 0 0 "[ . 1 . 2]" 1
575 1 34 LEU H 1 34 LEU QD . . 4.280 3.573 3.329 3.808 . 0 0 "[ . 1 . 2]" 1
576 1 34 LEU H 1 35 ASN H . . 2.930 2.281 2.116 2.445 . 0 0 "[ . 1 . 2]" 1
577 1 34 LEU H 1 43 LYS H . . 5.030 4.859 4.628 5.029 . 0 0 "[ . 1 . 2]" 1
578 1 34 LEU H 1 44 VAL H . . 4.500 4.366 4.107 4.517 0.017 20 0 "[ . 1 . 2]" 1
579 1 34 LEU H 1 44 VAL HA . . 3.290 2.058 1.916 2.216 . 0 0 "[ . 1 . 2]" 1
580 1 34 LEU H 1 44 VAL HB . . 4.650 4.502 4.194 4.657 0.007 12 0 "[ . 1 . 2]" 1
581 1 34 LEU H 1 45 GLU H . . 3.950 3.752 3.504 3.950 . 13 0 "[ . 1 . 2]" 1
582 1 34 LEU HA 1 34 LEU QD . . 3.220 2.329 1.951 2.979 . 0 0 "[ . 1 . 2]" 1
583 1 34 LEU HB2 1 34 LEU QD . . 2.680 2.042 1.927 2.258 . 0 0 "[ . 1 . 2]" 1
584 1 34 LEU HB2 1 35 ASN H . . 3.610 3.422 3.276 3.522 . 0 0 "[ . 1 . 2]" 1
585 1 34 LEU HB2 1 44 VAL HA . . 3.760 3.016 2.887 3.128 . 0 0 "[ . 1 . 2]" 1
586 1 34 LEU HB2 1 45 GLU H . . 4.020 3.587 3.454 3.856 . 0 0 "[ . 1 . 2]" 1
587 1 34 LEU HB3 1 34 LEU QD . . 2.400 2.181 1.932 2.335 . 0 0 "[ . 1 . 2]" 1
588 1 34 LEU HB3 1 35 ASN H . . 3.150 2.646 2.442 2.927 . 0 0 "[ . 1 . 2]" 1
589 1 34 LEU HB3 1 35 ASN HB2 . . 3.990 3.254 3.060 3.686 . 0 0 "[ . 1 . 2]" 1
590 1 34 LEU HB3 1 35 ASN HB3 . . 4.430 4.237 3.657 4.507 0.077 3 0 "[ . 1 . 2]" 1
591 1 34 LEU HB3 1 44 VAL H . . 5.310 5.161 4.660 5.372 0.062 20 0 "[ . 1 . 2]" 1
592 1 34 LEU HB3 1 44 VAL HA . . 4.140 4.076 3.749 4.157 0.017 14 0 "[ . 1 . 2]" 1
593 1 34 LEU QD 1 35 ASN H . . 4.780 3.923 3.416 4.228 . 0 0 "[ . 1 . 2]" 1
594 1 34 LEU QD 1 45 GLU H . . 4.230 3.771 3.434 4.130 . 0 0 "[ . 1 . 2]" 1
595 1 34 LEU QD 1 45 GLU HA . . 3.880 3.749 3.482 3.897 0.017 18 0 "[ . 1 . 2]" 1
596 1 34 LEU QD 1 45 GLU HB2 . . 3.070 2.206 1.958 2.392 . 0 0 "[ . 1 . 2]" 1
597 1 34 LEU QD 1 45 GLU HB3 . . 3.880 3.347 2.970 3.776 . 0 0 "[ . 1 . 2]" 1
598 1 34 LEU QD 1 45 GLU QG . . 4.090 3.070 2.593 3.729 . 0 0 "[ . 1 . 2]" 1
599 1 34 LEU QD 1 58 GLN H . . 4.660 4.260 3.879 4.727 0.067 11 0 "[ . 1 . 2]" 1
600 1 34 LEU QD 1 58 GLN HA . . 4.280 3.592 3.447 4.039 . 0 0 "[ . 1 . 2]" 1
601 1 34 LEU QD 1 58 GLN HB2 . . 4.260 2.908 2.303 4.220 . 0 0 "[ . 1 . 2]" 1
602 1 34 LEU QD 1 58 GLN HB3 . . 4.260 2.394 1.880 4.044 . 0 0 "[ . 1 . 2]" 1
603 1 34 LEU QD 1 58 GLN HE21 . . 3.930 2.447 1.861 3.871 . 0 0 "[ . 1 . 2]" 1
604 1 34 LEU QD 1 58 GLN QE . . 3.410 2.073 1.786 3.108 . 0 0 "[ . 1 . 2]" 1
605 1 34 LEU QD 1 58 GLN HE22 . . 3.930 2.452 1.836 3.423 . 0 0 "[ . 1 . 2]" 1
606 1 34 LEU QD 1 58 GLN HG2 . . 4.080 2.924 1.881 3.511 . 0 0 "[ . 1 . 2]" 1
607 1 34 LEU QD 1 58 GLN QG . . 3.320 2.762 1.831 3.242 . 0 0 "[ . 1 . 2]" 1
608 1 34 LEU QD 1 58 GLN HG3 . . 4.080 3.503 2.224 4.237 0.157 18 0 "[ . 1 . 2]" 1
609 1 35 ASN H 1 35 ASN HB2 . . 3.800 2.999 2.773 3.352 . 0 0 "[ . 1 . 2]" 1
610 1 35 ASN H 1 35 ASN HB3 . . 3.670 3.082 2.713 3.330 . 0 0 "[ . 1 . 2]" 1
611 1 35 ASN H 1 35 ASN HD21 . . 5.020 4.679 4.190 4.961 . 0 0 "[ . 1 . 2]" 1
612 1 35 ASN H 1 36 SER H . . 4.700 4.129 4.010 4.291 . 0 0 "[ . 1 . 2]" 1
613 1 35 ASN H 1 37 THR H . . 5.500 5.415 5.286 5.537 0.037 9 0 "[ . 1 . 2]" 1
614 1 35 ASN H 1 43 LYS H . . 3.590 3.504 3.310 3.661 0.071 20 0 "[ . 1 . 2]" 1
615 1 35 ASN H 1 43 LYS QG . . 4.260 4.040 2.701 4.279 0.019 14 0 "[ . 1 . 2]" 1
616 1 35 ASN H 1 44 VAL HA . . 4.370 3.835 3.460 4.123 . 0 0 "[ . 1 . 2]" 1
617 1 35 ASN H 1 44 VAL MG2 . . 5.500 5.557 5.470 5.612 0.112 15 0 "[ . 1 . 2]" 1
618 1 35 ASN H 1 58 GLN HE21 . . 4.730 4.377 4.049 4.665 . 0 0 "[ . 1 . 2]" 1
619 1 35 ASN H 1 58 GLN QE . . 4.000 3.993 3.707 4.040 0.040 19 0 "[ . 1 . 2]" 1
620 1 35 ASN H 1 58 GLN HE22 . . 4.730 4.622 4.298 4.750 0.020 19 0 "[ . 1 . 2]" 1
621 1 35 ASN HA 1 35 ASN HD21 . . 4.120 2.456 1.918 3.866 . 0 0 "[ . 1 . 2]" 1
622 1 35 ASN HA 1 35 ASN HD22 . . 4.380 3.550 3.332 4.433 0.053 9 0 "[ . 1 . 2]" 1
623 1 35 ASN HA 1 36 SER H . . 2.780 2.143 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
624 1 35 ASN HA 1 36 SER HB3 . . 5.380 4.834 4.234 5.146 . 0 0 "[ . 1 . 2]" 1
625 1 35 ASN HA 1 37 THR H . . 3.590 3.574 3.435 3.618 0.028 5 0 "[ . 1 . 2]" 1
626 1 35 ASN HA 1 37 THR HB . . 4.990 4.980 4.850 5.007 0.017 19 0 "[ . 1 . 2]" 1
627 1 35 ASN HA 1 37 THR MG . . 4.640 4.607 4.428 4.657 0.017 13 0 "[ . 1 . 2]" 1
628 1 35 ASN HA 1 58 GLN QE . . 5.340 5.249 5.052 5.384 0.044 16 0 "[ . 1 . 2]" 1
629 1 35 ASN HB2 1 36 SER H . . 4.570 4.439 4.206 4.563 . 0 0 "[ . 1 . 2]" 1
630 1 35 ASN HB2 1 37 THR H . . 5.010 4.792 4.613 4.945 . 0 0 "[ . 1 . 2]" 1
631 1 35 ASN HB2 1 37 THR MG . . 5.060 4.629 4.456 4.868 . 0 0 "[ . 1 . 2]" 1
632 1 35 ASN HB2 1 43 LYS H . . 5.010 4.709 4.499 5.041 0.031 20 0 "[ . 1 . 2]" 1
633 1 35 ASN HB2 1 43 LYS QG . . 3.760 3.566 3.049 3.804 0.044 12 0 "[ . 1 . 2]" 1
634 1 35 ASN HB3 1 43 LYS H . . 3.830 3.400 3.010 3.636 . 0 0 "[ . 1 . 2]" 1
635 1 35 ASN HB3 1 43 LYS HA . . 4.950 4.829 4.597 4.984 0.034 6 0 "[ . 1 . 2]" 1
636 1 35 ASN HB3 1 43 LYS QG . . 3.570 2.392 1.985 2.966 . 0 0 "[ . 1 . 2]" 1
637 1 35 ASN HD21 1 37 THR H . . 4.260 2.299 1.883 3.333 . 0 0 "[ . 1 . 2]" 1
638 1 35 ASN HD21 1 37 THR MG . . 4.150 2.883 1.895 3.671 . 0 0 "[ . 1 . 2]" 1
639 1 35 ASN HD21 1 38 ASN H . . 5.500 4.583 3.638 5.537 0.037 12 0 "[ . 1 . 2]" 1
640 1 35 ASN HD22 1 37 THR H . . 4.220 2.923 2.380 3.232 . 0 0 "[ . 1 . 2]" 1
641 1 35 ASN HD22 1 37 THR MG . . 4.070 2.597 1.834 3.216 . 0 0 "[ . 1 . 2]" 1
642 1 36 SER H 1 36 SER HB3 . . 4.100 3.256 2.573 3.590 . 0 0 "[ . 1 . 2]" 1
643 1 36 SER H 1 37 THR H . . 3.110 2.383 2.159 2.606 . 0 0 "[ . 1 . 2]" 1
644 1 36 SER H 1 37 THR MG . . 4.320 4.179 4.041 4.278 . 0 0 "[ . 1 . 2]" 1
645 1 36 SER HA 1 37 THR H . . 3.470 3.011 2.928 3.091 . 0 0 "[ . 1 . 2]" 1
646 1 36 SER HA 1 38 ASN H . . 4.000 3.381 3.212 3.531 . 0 0 "[ . 1 . 2]" 1
647 1 36 SER HA 1 42 TRP HA . . 4.040 3.288 3.057 3.789 . 0 0 "[ . 1 . 2]" 1
648 1 36 SER HA 1 42 TRP HD1 . . 3.440 3.309 3.045 3.458 0.018 18 0 "[ . 1 . 2]" 1
649 1 36 SER HA 1 42 TRP HE1 . . 4.270 3.788 3.350 4.028 . 0 0 "[ . 1 . 2]" 1
650 1 36 SER HA 1 43 LYS H . . 4.540 3.481 3.238 4.097 . 0 0 "[ . 1 . 2]" 1
651 1 36 SER HB2 1 42 TRP HD1 . . 4.990 4.754 4.193 5.000 0.010 19 0 "[ . 1 . 2]" 1
652 1 36 SER HB2 1 42 TRP HE1 . . 3.910 3.653 3.200 3.917 0.007 14 0 "[ . 1 . 2]" 1
653 1 36 SER HB2 1 42 TRP HZ2 . . 4.570 3.888 3.513 4.263 . 0 0 "[ . 1 . 2]" 1
654 1 36 SER HB3 1 37 THR H . . 4.890 4.574 4.258 4.665 . 0 0 "[ . 1 . 2]" 1
655 1 36 SER HB3 1 42 TRP HE1 . . 5.440 4.445 3.872 5.265 . 0 0 "[ . 1 . 2]" 1
656 1 37 THR H 1 37 THR HB . . 3.360 2.505 2.457 2.587 . 0 0 "[ . 1 . 2]" 1
657 1 37 THR H 1 37 THR MG . . 3.230 2.158 1.989 2.332 . 0 0 "[ . 1 . 2]" 1
658 1 37 THR H 1 38 ASN H . . 3.210 2.733 2.678 2.786 . 0 0 "[ . 1 . 2]" 1
659 1 37 THR HA 1 37 THR HB . . 2.760 2.465 2.435 2.497 . 0 0 "[ . 1 . 2]" 1
660 1 37 THR HA 1 37 THR MG . . 3.300 3.203 3.191 3.207 . 0 0 "[ . 1 . 2]" 1
661 1 37 THR HB 1 38 ASN H . . 4.200 3.992 3.973 4.063 . 0 0 "[ . 1 . 2]" 1
662 1 37 THR MG 1 38 ASN H . . 4.370 2.127 1.934 2.293 . 0 0 "[ . 1 . 2]" 1
663 1 38 ASN H 1 38 ASN HB2 . . 3.180 2.250 2.152 2.367 . 0 0 "[ . 1 . 2]" 1
664 1 38 ASN H 1 38 ASN HB3 . . 3.410 3.220 2.949 3.393 . 0 0 "[ . 1 . 2]" 1
665 1 38 ASN H 1 38 ASN HD21 . . 5.300 4.923 4.617 5.137 . 0 0 "[ . 1 . 2]" 1
666 1 38 ASN H 1 42 TRP HD1 . . 4.220 3.786 3.573 3.928 . 0 0 "[ . 1 . 2]" 1
667 1 38 ASN HA 1 38 ASN HD21 . . 4.250 3.647 3.119 4.280 0.030 5 0 "[ . 1 . 2]" 1
668 1 38 ASN HA 1 38 ASN HD22 . . 4.530 4.040 3.741 4.411 . 0 0 "[ . 1 . 2]" 1
669 1 38 ASN HA 1 39 LYS H . . 2.740 2.486 2.392 2.603 . 0 0 "[ . 1 . 2]" 1
670 1 38 ASN HA 1 40 ASP H . . 4.390 4.229 4.123 4.389 . 0 0 "[ . 1 . 2]" 1
671 1 38 ASN HB2 1 39 LYS H . . 4.140 3.876 3.694 3.986 . 0 0 "[ . 1 . 2]" 1
672 1 38 ASN HB2 1 40 ASP H . . 4.740 4.568 4.076 4.736 . 0 0 "[ . 1 . 2]" 1
673 1 38 ASN HB2 1 41 TRP H . . 4.030 3.931 3.708 4.058 0.028 12 0 "[ . 1 . 2]" 1
674 1 38 ASN HB2 1 42 TRP HD1 . . 4.430 3.939 3.322 4.434 0.004 5 0 "[ . 1 . 2]" 1
675 1 38 ASN HB3 1 38 ASN HD21 . . 3.250 2.403 2.136 2.734 . 0 0 "[ . 1 . 2]" 1
676 1 38 ASN HB3 1 38 ASN HD22 . . 3.880 3.553 3.443 3.692 . 0 0 "[ . 1 . 2]" 1
677 1 38 ASN HB3 1 39 LYS H . . 4.100 2.617 2.219 2.974 . 0 0 "[ . 1 . 2]" 1
678 1 38 ASN HB3 1 39 LYS HA . . 4.390 4.286 4.155 4.398 0.008 5 0 "[ . 1 . 2]" 1
679 1 38 ASN HB3 1 40 ASP H . . 4.830 2.909 2.323 3.205 . 0 0 "[ . 1 . 2]" 1
680 1 38 ASN HB3 1 41 TRP H . . 3.780 2.540 2.303 2.799 . 0 0 "[ . 1 . 2]" 1
681 1 38 ASN HD21 1 39 LYS H . . 4.620 3.299 2.301 4.563 . 0 0 "[ . 1 . 2]" 1
682 1 38 ASN HD21 1 40 ASP H . . 4.420 3.351 2.509 4.432 0.012 19 0 "[ . 1 . 2]" 1
683 1 38 ASN HD21 1 41 TRP H . . 4.060 3.049 2.813 3.294 . 0 0 "[ . 1 . 2]" 1
684 1 38 ASN HD21 1 41 TRP HD1 . . 4.610 3.990 3.424 4.531 . 0 0 "[ . 1 . 2]" 1
685 1 38 ASN HD22 1 39 LYS H . . 4.850 4.096 3.779 4.458 . 0 0 "[ . 1 . 2]" 1
686 1 38 ASN HD22 1 40 ASP H . . 4.590 4.315 4.178 4.556 . 0 0 "[ . 1 . 2]" 1
687 1 38 ASN HD22 1 41 TRP H . . 5.200 4.086 3.611 4.499 . 0 0 "[ . 1 . 2]" 1
688 1 38 ASN HD22 1 41 TRP HD1 . . 5.080 4.120 3.340 4.974 . 0 0 "[ . 1 . 2]" 1
689 1 39 LYS H 1 39 LYS QB . . 2.950 2.674 2.347 2.951 0.001 2 0 "[ . 1 . 2]" 1
690 1 39 LYS H 1 39 LYS QG . . 3.310 2.564 1.930 3.140 . 0 0 "[ . 1 . 2]" 1
691 1 39 LYS H 1 40 ASP H . . 3.190 1.971 1.876 2.094 . 0 0 "[ . 1 . 2]" 1
692 1 39 LYS H 1 42 TRP HE1 . . 4.960 4.560 4.349 4.697 . 0 0 "[ . 1 . 2]" 1
693 1 39 LYS HA 1 39 LYS QE . . 5.500 4.784 3.909 5.441 . 0 0 "[ . 1 . 2]" 1
694 1 39 LYS HA 1 39 LYS QG . . 3.920 2.864 2.324 3.429 . 0 0 "[ . 1 . 2]" 1
695 1 39 LYS HA 1 42 TRP HD1 . . 4.490 3.855 3.631 4.326 . 0 0 "[ . 1 . 2]" 1
696 1 39 LYS HA 1 42 TRP HE1 . . 3.460 2.389 2.195 2.685 . 0 0 "[ . 1 . 2]" 1
697 1 39 LYS HA 1 63 ALA MB . . 4.790 3.830 3.597 3.960 . 0 0 "[ . 1 . 2]" 1
698 1 39 LYS QB 1 40 ASP H . . 4.530 3.207 2.685 3.754 . 0 0 "[ . 1 . 2]" 1
699 1 39 LYS QB 1 63 ALA MB . . 4.540 4.499 4.235 4.563 0.023 9 0 "[ . 1 . 2]" 1
700 1 39 LYS QG 1 40 ASP H . . 4.280 3.320 2.123 4.294 0.014 13 0 "[ . 1 . 2]" 1
701 1 39 LYS QG 1 63 ALA MB . . 5.160 5.148 5.053 5.175 0.015 13 0 "[ . 1 . 2]" 1
702 1 40 ASP H 1 40 ASP HB2 . . 3.300 2.560 2.516 2.649 . 0 0 "[ . 1 . 2]" 1
703 1 40 ASP H 1 40 ASP HB3 . . 3.880 3.660 3.634 3.706 . 0 0 "[ . 1 . 2]" 1
704 1 40 ASP H 1 41 TRP HB2 . . 4.760 4.710 4.576 4.781 0.021 13 0 "[ . 1 . 2]" 1
705 1 40 ASP H 1 63 ALA MB . . 4.970 4.580 4.392 4.680 . 0 0 "[ . 1 . 2]" 1
706 1 40 ASP HA 1 63 ALA H . . 4.130 3.801 3.675 4.018 . 0 0 "[ . 1 . 2]" 1
707 1 40 ASP HA 1 63 ALA MB . . 3.660 3.396 3.108 3.551 . 0 0 "[ . 1 . 2]" 1
708 1 40 ASP HB2 1 41 TRP H . . 3.750 2.305 2.029 2.407 . 0 0 "[ . 1 . 2]" 1
709 1 40 ASP HB2 1 41 TRP HD1 . . 3.190 3.198 3.193 3.213 0.023 8 0 "[ . 1 . 2]" 1
710 1 40 ASP HB2 1 41 TRP HE1 . . 4.680 4.593 4.508 4.688 0.008 9 0 "[ . 1 . 2]" 1
711 1 40 ASP HB3 1 41 TRP H . . 4.310 3.499 3.315 3.550 . 0 0 "[ . 1 . 2]" 1
712 1 40 ASP HB3 1 41 TRP HD1 . . 4.220 4.205 4.130 4.225 0.005 1 0 "[ . 1 . 2]" 1
713 1 40 ASP HB3 1 41 TRP HE1 . . 4.700 4.691 4.629 4.711 0.011 9 0 "[ . 1 . 2]" 1
714 1 40 ASP HB3 1 63 ALA MB . . 5.390 5.257 5.026 5.392 0.002 11 0 "[ . 1 . 2]" 1
715 1 41 TRP H 1 41 TRP HB2 . . 3.420 2.414 2.391 2.437 . 0 0 "[ . 1 . 2]" 1
716 1 41 TRP H 1 41 TRP HD1 . . 4.030 3.324 3.247 3.404 . 0 0 "[ . 1 . 2]" 1
717 1 41 TRP H 1 42 TRP H . . 4.690 4.324 4.258 4.443 . 0 0 "[ . 1 . 2]" 1
718 1 41 TRP H 1 42 TRP HD1 . . 4.230 4.219 4.149 4.251 0.021 19 0 "[ . 1 . 2]" 1
719 1 41 TRP H 1 63 ALA H . . 5.020 4.875 4.756 4.964 . 0 0 "[ . 1 . 2]" 1
720 1 41 TRP H 1 63 ALA MB . . 4.650 4.626 4.511 4.667 0.017 11 0 "[ . 1 . 2]" 1
721 1 41 TRP HA 1 41 TRP HE3 . . 3.880 2.620 2.568 2.681 . 0 0 "[ . 1 . 2]" 1
722 1 41 TRP HA 1 42 TRP H . . 2.850 2.147 2.140 2.151 . 0 0 "[ . 1 . 2]" 1
723 1 41 TRP HA 1 62 PRO HA . . 3.580 3.156 2.898 3.347 . 0 0 "[ . 1 . 2]" 1
724 1 41 TRP HA 1 63 ALA H . . 3.490 3.364 3.222 3.473 . 0 0 "[ . 1 . 2]" 1
725 1 41 TRP HA 1 63 ALA MB . . 4.460 4.149 4.013 4.287 . 0 0 "[ . 1 . 2]" 1
726 1 41 TRP HB2 1 41 TRP HD1 . . 3.470 2.569 2.564 2.574 . 0 0 "[ . 1 . 2]" 1
727 1 41 TRP HB3 1 41 TRP HE3 . . 3.690 2.796 2.774 2.821 . 0 0 "[ . 1 . 2]" 1
728 1 41 TRP HB3 1 42 TRP H . . 4.050 3.575 3.330 3.681 . 0 0 "[ . 1 . 2]" 1
729 1 41 TRP HB3 1 60 PHE HB3 . . 3.340 2.803 2.344 3.363 0.023 20 0 "[ . 1 . 2]" 1
730 1 41 TRP HB3 1 60 PHE QD . . 4.130 3.177 2.064 3.868 . 0 0 "[ . 1 . 2]" 1
731 1 41 TRP HB3 1 61 VAL H . . 4.560 4.086 3.751 4.567 0.007 11 0 "[ . 1 . 2]" 1
732 1 41 TRP HE3 1 42 TRP H . . 4.130 3.528 3.222 3.656 . 0 0 "[ . 1 . 2]" 1
733 1 41 TRP HE3 1 60 PHE HB2 . . 4.350 3.672 3.384 4.081 . 0 0 "[ . 1 . 2]" 1
734 1 41 TRP HE3 1 60 PHE HB3 . . 3.400 2.835 2.536 3.080 . 0 0 "[ . 1 . 2]" 1
735 1 41 TRP HE3 1 61 VAL H . . 3.930 3.007 2.708 3.375 . 0 0 "[ . 1 . 2]" 1
736 1 41 TRP HE3 1 61 VAL HA . . 4.460 3.189 3.047 3.372 . 0 0 "[ . 1 . 2]" 1
737 1 41 TRP HE3 1 61 VAL MG2 . . 4.870 4.537 4.331 4.708 . 0 0 "[ . 1 . 2]" 1
738 1 41 TRP HE3 1 62 PRO HA . . 4.250 3.816 3.661 3.965 . 0 0 "[ . 1 . 2]" 1
739 1 41 TRP HE3 1 63 ALA H . . 5.150 5.068 4.887 5.156 0.006 7 0 "[ . 1 . 2]" 1
740 1 41 TRP HH2 1 61 VAL HA . . 5.080 5.023 4.890 5.083 0.003 9 0 "[ . 1 . 2]" 1
741 1 41 TRP HH2 1 62 PRO QG . . 4.970 4.948 4.834 4.985 0.015 15 0 "[ . 1 . 2]" 1
742 1 41 TRP HZ3 1 61 VAL HA . . 3.960 2.669 2.525 2.769 . 0 0 "[ . 1 . 2]" 1
743 1 41 TRP HZ3 1 62 PRO HD3 . . 3.940 2.514 2.468 2.561 . 0 0 "[ . 1 . 2]" 1
744 1 41 TRP HZ3 1 62 PRO QG . . 4.320 4.302 4.223 4.326 0.006 10 0 "[ . 1 . 2]" 1
745 1 42 TRP H 1 42 TRP HB2 . . 3.280 2.322 2.273 2.413 . 0 0 "[ . 1 . 2]" 1
746 1 42 TRP H 1 43 LYS H . . 4.900 4.475 4.431 4.517 . 0 0 "[ . 1 . 2]" 1
747 1 42 TRP H 1 60 PHE HA . . 4.840 4.494 4.018 4.849 0.009 20 0 "[ . 1 . 2]" 1
748 1 42 TRP H 1 60 PHE HB3 . . 5.290 4.609 4.228 4.954 . 0 0 "[ . 1 . 2]" 1
749 1 42 TRP H 1 61 VAL H . . 3.410 2.867 2.412 3.165 . 0 0 "[ . 1 . 2]" 1
750 1 42 TRP H 1 61 VAL MG2 . . 3.950 3.353 3.094 3.542 . 0 0 "[ . 1 . 2]" 1
751 1 42 TRP H 1 62 PRO HA . . 4.260 3.781 3.516 4.084 . 0 0 "[ . 1 . 2]" 1
752 1 42 TRP H 1 63 ALA H . . 3.970 3.224 2.916 3.504 . 0 0 "[ . 1 . 2]" 1
753 1 42 TRP H 1 63 ALA HA . . 4.790 4.522 4.268 4.780 . 0 0 "[ . 1 . 2]" 1
754 1 42 TRP H 1 63 ALA MB . . 4.410 3.420 3.172 3.634 . 0 0 "[ . 1 . 2]" 1
755 1 42 TRP HA 1 42 TRP HD1 . . 2.880 2.121 2.062 2.157 . 0 0 "[ . 1 . 2]" 1
756 1 42 TRP HA 1 42 TRP HE1 . . 4.660 4.475 4.466 4.492 . 0 0 "[ . 1 . 2]" 1
757 1 42 TRP HA 1 43 LYS H . . 2.920 2.179 2.157 2.196 . 0 0 "[ . 1 . 2]" 1
758 1 42 TRP HA 1 61 VAL H . . 4.840 4.632 4.463 4.850 0.010 13 0 "[ . 1 . 2]" 1
759 1 42 TRP HB2 1 42 TRP HE3 . . 4.160 3.147 3.047 3.219 . 0 0 "[ . 1 . 2]" 1
760 1 42 TRP HB2 1 43 LYS H . . 4.520 4.315 4.260 4.394 . 0 0 "[ . 1 . 2]" 1
761 1 42 TRP HB2 1 44 VAL MG1 . . 4.490 4.337 4.077 4.512 0.022 18 0 "[ . 1 . 2]" 1
762 1 42 TRP HB2 1 44 VAL MG2 . . 5.210 4.587 4.358 5.043 . 0 0 "[ . 1 . 2]" 1
763 1 42 TRP HB2 1 61 VAL H . . 4.470 4.077 3.854 4.301 . 0 0 "[ . 1 . 2]" 1
764 1 42 TRP HB2 1 61 VAL MG2 . . 3.760 2.927 2.539 3.182 . 0 0 "[ . 1 . 2]" 1
765 1 42 TRP HB2 1 63 ALA MB . . 3.290 2.665 2.456 2.825 . 0 0 "[ . 1 . 2]" 1
766 1 42 TRP HB3 1 42 TRP HE3 . . 3.900 2.758 2.697 2.847 . 0 0 "[ . 1 . 2]" 1
767 1 42 TRP HB3 1 43 LYS H . . 3.610 3.216 3.123 3.362 . 0 0 "[ . 1 . 2]" 1
768 1 42 TRP HB3 1 44 VAL MG1 . . 3.830 3.204 3.041 3.322 . 0 0 "[ . 1 . 2]" 1
769 1 42 TRP HB3 1 61 VAL MG2 . . 3.710 3.395 3.198 3.591 . 0 0 "[ . 1 . 2]" 1
770 1 42 TRP HD1 1 63 ALA MB . . 3.720 3.182 3.046 3.363 . 0 0 "[ . 1 . 2]" 1
771 1 42 TRP HE1 1 63 ALA MB . . 3.520 3.443 3.206 3.553 0.033 18 0 "[ . 1 . 2]" 1
772 1 42 TRP HE3 1 44 VAL MG1 . . 5.060 3.728 3.578 3.869 . 0 0 "[ . 1 . 2]" 1
773 1 42 TRP HE3 1 61 VAL MG2 . . 5.180 4.423 4.054 4.608 . 0 0 "[ . 1 . 2]" 1
774 1 42 TRP HH2 1 63 ALA MB . . 4.760 4.230 3.884 4.533 . 0 0 "[ . 1 . 2]" 1
775 1 42 TRP HZ2 1 63 ALA MB . . 4.260 3.815 3.491 4.075 . 0 0 "[ . 1 . 2]" 1
776 1 42 TRP HZ3 1 68 LYS H . . 4.760 3.854 3.204 4.360 . 0 0 "[ . 1 . 2]" 1
777 1 43 LYS H 1 43 LYS QE . . 4.930 4.510 4.150 4.973 0.043 19 0 "[ . 1 . 2]" 1
778 1 43 LYS H 1 43 LYS QG . . 3.440 2.569 2.140 3.636 0.196 20 0 "[ . 1 . 2]" 1
779 1 43 LYS H 1 44 VAL H . . 5.230 4.386 4.262 4.532 . 0 0 "[ . 1 . 2]" 1
780 1 43 LYS H 1 44 VAL MG1 . . 4.480 4.271 4.182 4.416 . 0 0 "[ . 1 . 2]" 1
781 1 43 LYS H 1 60 PHE QD . . 5.500 4.876 4.383 5.478 . 0 0 "[ . 1 . 2]" 1
782 1 43 LYS H 1 61 VAL H . . 5.290 4.946 4.843 5.076 . 0 0 "[ . 1 . 2]" 1
783 1 43 LYS HA 1 43 LYS QE . . 5.500 4.555 3.568 5.287 . 0 0 "[ . 1 . 2]" 1
784 1 43 LYS HA 1 44 VAL H . . 2.820 2.147 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
785 1 43 LYS HA 1 44 VAL MG2 . . 3.910 3.422 3.297 3.624 . 0 0 "[ . 1 . 2]" 1
786 1 43 LYS HA 1 59 GLY H . . 4.320 4.200 3.785 4.350 0.030 18 0 "[ . 1 . 2]" 1
787 1 43 LYS HA 1 60 PHE H . . 4.900 4.667 4.503 4.871 . 0 0 "[ . 1 . 2]" 1
788 1 43 LYS HA 1 60 PHE HA . . 3.370 2.503 2.183 2.702 . 0 0 "[ . 1 . 2]" 1
789 1 43 LYS HA 1 61 VAL H . . 4.070 3.714 3.406 3.952 . 0 0 "[ . 1 . 2]" 1
790 1 43 LYS QD 1 60 PHE QD . . 4.850 3.242 2.386 4.771 . 0 0 "[ . 1 . 2]" 1
791 1 43 LYS QE 1 60 PHE QD . . 4.580 3.453 2.196 4.598 0.018 20 0 "[ . 1 . 2]" 1
792 1 43 LYS QE 1 60 PHE QE . . 4.200 2.544 1.911 3.888 . 0 0 "[ . 1 . 2]" 1
793 1 43 LYS QG 1 44 VAL H . . 4.590 4.289 3.087 4.515 . 0 0 "[ . 1 . 2]" 1
794 1 44 VAL H 1 44 VAL MG1 . . 3.850 3.255 3.043 3.378 . 0 0 "[ . 1 . 2]" 1
795 1 44 VAL H 1 44 VAL MG2 . . 3.000 2.057 1.896 2.258 . 0 0 "[ . 1 . 2]" 1
796 1 44 VAL H 1 46 VAL QG . . 5.370 5.022 4.813 5.390 0.020 8 0 "[ . 1 . 2]" 1
797 1 44 VAL H 1 58 GLN QB . . 4.930 4.153 3.704 4.935 0.005 3 0 "[ . 1 . 2]" 1
798 1 44 VAL H 1 59 GLY H . . 3.260 2.930 2.710 3.205 . 0 0 "[ . 1 . 2]" 1
799 1 44 VAL H 1 59 GLY QA . . 4.840 4.131 4.031 4.257 . 0 0 "[ . 1 . 2]" 1
800 1 44 VAL H 1 60 PHE H . . 5.030 5.081 4.949 5.137 0.107 19 0 "[ . 1 . 2]" 1
801 1 44 VAL H 1 60 PHE HA . . 4.050 3.678 3.495 3.858 . 0 0 "[ . 1 . 2]" 1
802 1 44 VAL H 1 61 VAL MG1 . . 4.810 4.543 4.085 4.831 0.021 11 0 "[ . 1 . 2]" 1
803 1 44 VAL HA 1 44 VAL MG1 . . 3.170 2.250 2.235 2.263 . 0 0 "[ . 1 . 2]" 1
804 1 44 VAL HA 1 44 VAL MG2 . . 3.650 3.170 3.160 3.177 . 0 0 "[ . 1 . 2]" 1
805 1 44 VAL HA 1 45 GLU H . . 2.890 2.383 2.290 2.609 . 0 0 "[ . 1 . 2]" 1
806 1 44 VAL HB 1 45 GLU H . . 2.930 2.472 1.947 2.706 . 0 0 "[ . 1 . 2]" 1
807 1 44 VAL MG1 1 45 GLU H . . 4.020 3.327 3.145 3.472 . 0 0 "[ . 1 . 2]" 1
808 1 44 VAL MG2 1 45 GLU H . . 3.870 3.772 3.318 3.919 0.049 15 0 "[ . 1 . 2]" 1
809 1 44 VAL MG2 1 46 VAL H . . 5.170 5.148 5.004 5.193 0.023 18 0 "[ . 1 . 2]" 1
810 1 44 VAL MG2 1 59 GLY H . . 3.700 3.386 3.205 3.547 . 0 0 "[ . 1 . 2]" 1
811 1 44 VAL MG2 1 60 PHE HA . . 4.510 4.076 3.781 4.264 . 0 0 "[ . 1 . 2]" 1
812 1 44 VAL MG2 1 61 VAL H . . 4.420 3.915 3.524 4.358 . 0 0 "[ . 1 . 2]" 1
813 1 44 VAL MG2 1 61 VAL MG1 . . 3.290 2.960 2.591 3.296 0.006 20 0 "[ . 1 . 2]" 1
814 1 45 GLU H 1 45 GLU HB2 . . 3.620 2.735 2.477 3.058 . 0 0 "[ . 1 . 2]" 1
815 1 45 GLU H 1 45 GLU HB3 . . 3.490 2.766 2.482 2.965 . 0 0 "[ . 1 . 2]" 1
816 1 45 GLU H 1 46 VAL QG . . 4.350 4.220 3.977 4.373 0.023 8 0 "[ . 1 . 2]" 1
817 1 45 GLU H 1 58 GLN HA . . 4.930 4.442 4.150 4.877 . 0 0 "[ . 1 . 2]" 1
818 1 45 GLU HA 1 45 GLU QG . . 3.420 2.310 2.209 2.479 . 0 0 "[ . 1 . 2]" 1
819 1 45 GLU HA 1 46 VAL H . . 2.720 2.193 2.176 2.214 . 0 0 "[ . 1 . 2]" 1
820 1 45 GLU HA 1 46 VAL QG . . 4.010 3.281 3.241 3.344 . 0 0 "[ . 1 . 2]" 1
821 1 45 GLU HA 1 57 ARG H . . 4.210 4.156 3.854 4.235 0.025 7 0 "[ . 1 . 2]" 1
822 1 45 GLU HA 1 57 ARG QG . . 4.980 4.458 4.176 4.815 . 0 0 "[ . 1 . 2]" 1
823 1 45 GLU HA 1 58 GLN HA . . 2.700 2.081 1.912 2.505 . 0 0 "[ . 1 . 2]" 1
824 1 45 GLU HA 1 59 GLY H . . 4.270 3.387 3.207 3.523 . 0 0 "[ . 1 . 2]" 1
825 1 45 GLU HB2 1 45 GLU QG . . 2.640 2.341 2.146 2.455 . 0 0 "[ . 1 . 2]" 1
826 1 45 GLU HB2 1 46 VAL H . . 4.350 4.232 4.027 4.335 . 0 0 "[ . 1 . 2]" 1
827 1 45 GLU HB3 1 45 GLU QG . . 2.400 2.327 2.226 2.451 0.051 12 0 "[ . 1 . 2]" 1
828 1 45 GLU QG 1 46 VAL H . . 3.490 2.564 2.359 2.740 . 0 0 "[ . 1 . 2]" 1
829 1 45 GLU QG 1 57 ARG H . . 4.200 2.553 2.302 2.851 . 0 0 "[ . 1 . 2]" 1
830 1 46 VAL H 1 46 VAL HB . . 3.860 3.750 2.751 3.836 . 0 0 "[ . 1 . 2]" 1
831 1 46 VAL H 1 46 VAL QG . . 3.130 2.118 2.041 2.375 . 0 0 "[ . 1 . 2]" 1
832 1 46 VAL H 1 56 GLU HA . . 4.750 4.508 4.137 4.717 . 0 0 "[ . 1 . 2]" 1
833 1 46 VAL H 1 57 ARG QG . . 4.200 3.328 2.949 3.730 . 0 0 "[ . 1 . 2]" 1
834 1 46 VAL H 1 58 GLN H . . 5.260 5.099 5.046 5.156 . 0 0 "[ . 1 . 2]" 1
835 1 46 VAL H 1 58 GLN HA . . 3.790 3.542 3.375 3.816 0.026 8 0 "[ . 1 . 2]" 1
836 1 46 VAL H 1 59 GLY H . . 4.950 4.658 4.568 4.786 . 0 0 "[ . 1 . 2]" 1
837 1 46 VAL HA 1 46 VAL QG . . 3.240 2.255 2.058 2.300 . 0 0 "[ . 1 . 2]" 1
838 1 46 VAL HA 1 47 LYS H . . 2.780 2.510 2.263 2.588 . 0 0 "[ . 1 . 2]" 1
839 1 46 VAL HA 1 47 LYS QB . . 4.120 3.939 3.867 3.989 . 0 0 "[ . 1 . 2]" 1
840 1 46 VAL HB 1 47 LYS H . . 3.510 2.249 2.000 3.433 . 0 0 "[ . 1 . 2]" 1
841 1 46 VAL QG 1 47 LYS H . . 3.410 2.869 1.934 3.282 . 0 0 "[ . 1 . 2]" 1
842 1 46 VAL QG 1 47 LYS HA . . 3.860 3.615 3.455 3.863 0.003 14 0 "[ . 1 . 2]" 1
843 1 46 VAL QG 1 47 LYS QB . . 4.470 4.227 3.762 4.459 . 0 0 "[ . 1 . 2]" 1
844 1 46 VAL QG 1 56 GLU HA . . 4.450 4.167 3.714 4.478 0.028 8 0 "[ . 1 . 2]" 1
845 1 46 VAL QG 1 57 ARG H . . 3.680 3.340 2.694 3.703 0.023 8 0 "[ . 1 . 2]" 1
846 1 46 VAL QG 1 57 ARG QD . . 4.640 3.202 2.310 3.961 . 0 0 "[ . 1 . 2]" 1
847 1 46 VAL QG 1 57 ARG QG . . 2.960 2.293 1.793 2.745 . 0 0 "[ . 1 . 2]" 1
848 1 46 VAL QG 1 59 GLY H . . 3.910 3.923 3.871 3.952 0.042 11 0 "[ . 1 . 2]" 1
849 1 46 VAL QG 1 59 GLY QA . . 4.500 3.961 3.389 4.337 . 0 0 "[ . 1 . 2]" 1
850 1 47 LYS H 1 47 LYS QB . . 3.140 2.518 2.323 2.623 . 0 0 "[ . 1 . 2]" 1
851 1 47 LYS H 1 47 LYS HG2 . . 4.870 4.728 4.400 4.889 0.019 9 0 "[ . 1 . 2]" 1
852 1 47 LYS H 1 47 LYS HG3 . . 4.870 4.600 4.504 4.818 . 0 0 "[ . 1 . 2]" 1
853 1 47 LYS H 1 48 ILE H . . 4.480 4.257 4.073 4.481 0.001 11 0 "[ . 1 . 2]" 1
854 1 47 LYS HA 1 47 LYS HG2 . . 4.180 3.297 2.158 3.711 . 0 0 "[ . 1 . 2]" 1
855 1 47 LYS HA 1 47 LYS HG3 . . 4.180 2.551 2.175 3.343 . 0 0 "[ . 1 . 2]" 1
856 1 47 LYS HA 1 48 ILE H . . 2.690 2.152 2.140 2.193 . 0 0 "[ . 1 . 2]" 1
857 1 47 LYS HA 1 48 ILE HA . . 4.560 4.398 4.392 4.414 . 0 0 "[ . 1 . 2]" 1
858 1 47 LYS HA 1 54 THR MG . . 4.800 4.714 4.359 4.804 0.004 6 0 "[ . 1 . 2]" 1
859 1 47 LYS HA 1 55 TYR H . . 4.440 4.398 4.202 4.462 0.022 8 0 "[ . 1 . 2]" 1
860 1 47 LYS HA 1 56 GLU HA . . 3.070 2.964 2.660 3.083 0.013 18 0 "[ . 1 . 2]" 1
861 1 47 LYS HA 1 56 GLU QG . . 4.050 3.246 2.617 3.680 . 0 0 "[ . 1 . 2]" 1
862 1 47 LYS QB 1 48 ILE H . . 4.250 3.784 3.578 3.917 . 0 0 "[ . 1 . 2]" 1
863 1 47 LYS QB 1 56 GLU QG . . 4.200 3.865 3.210 4.201 0.001 17 0 "[ . 1 . 2]" 1
864 1 47 LYS QE 1 47 LYS QG . . 3.250 2.145 2.005 2.388 . 0 0 "[ . 1 . 2]" 1
865 1 47 LYS QE 1 54 THR HB . . 3.800 2.954 1.958 3.809 0.009 15 0 "[ . 1 . 2]" 1
866 1 47 LYS QE 1 54 THR MG . . 3.440 2.707 2.032 3.439 . 0 0 "[ . 1 . 2]" 1
867 1 47 LYS QE 1 56 GLU HA . . 4.910 4.800 4.108 4.943 0.033 15 0 "[ . 1 . 2]" 1
868 1 47 LYS QG 1 48 ILE H . . 3.690 2.967 2.515 3.247 . 0 0 "[ . 1 . 2]" 1
869 1 47 LYS QG 1 54 THR HA . . 4.500 3.832 3.443 4.343 . 0 0 "[ . 1 . 2]" 1
870 1 47 LYS QG 1 54 THR MG . . 2.390 2.324 2.045 2.419 0.029 15 0 "[ . 1 . 2]" 1
871 1 47 LYS QG 1 55 TYR H . . 4.340 3.493 3.151 3.945 . 0 0 "[ . 1 . 2]" 1
872 1 47 LYS QG 1 56 GLU QG . . 4.070 3.332 2.523 4.017 . 0 0 "[ . 1 . 2]" 1
873 1 47 LYS HG2 1 56 GLU QG . . 4.770 4.430 2.805 4.773 0.003 10 0 "[ . 1 . 2]" 1
874 1 47 LYS HG3 1 56 GLU QG . . 4.770 3.553 2.543 4.370 . 0 0 "[ . 1 . 2]" 1
875 1 48 ILE H 1 48 ILE HB . . 3.420 2.648 2.550 2.762 . 0 0 "[ . 1 . 2]" 1
876 1 48 ILE H 1 48 ILE MD . . 3.930 2.944 2.044 3.887 . 0 0 "[ . 1 . 2]" 1
877 1 48 ILE H 1 48 ILE MG . . 4.000 3.853 3.813 3.902 . 0 0 "[ . 1 . 2]" 1
878 1 48 ILE H 1 49 THR H . . 4.670 4.372 4.210 4.544 . 0 0 "[ . 1 . 2]" 1
879 1 48 ILE H 1 55 TYR H . . 3.420 2.993 2.599 3.217 . 0 0 "[ . 1 . 2]" 1
880 1 48 ILE H 1 55 TYR QB . . 4.490 3.357 2.951 3.548 . 0 0 "[ . 1 . 2]" 1
881 1 48 ILE H 1 55 TYR QD . . 5.270 4.970 4.782 5.167 . 0 0 "[ . 1 . 2]" 1
882 1 48 ILE H 1 56 GLU H . . 5.340 4.932 4.503 5.049 . 0 0 "[ . 1 . 2]" 1
883 1 48 ILE H 1 56 GLU HA . . 3.970 3.637 3.342 3.909 . 0 0 "[ . 1 . 2]" 1
884 1 48 ILE HA 1 48 ILE MG . . 3.430 2.316 2.209 2.361 . 0 0 "[ . 1 . 2]" 1
885 1 48 ILE HA 1 49 THR H . . 2.750 2.177 2.138 2.277 . 0 0 "[ . 1 . 2]" 1
886 1 48 ILE HA 1 49 THR HB . . 4.790 4.638 4.546 4.795 0.005 15 0 "[ . 1 . 2]" 1
887 1 48 ILE HB 1 49 THR H . . 4.550 4.101 3.708 4.299 . 0 0 "[ . 1 . 2]" 1
888 1 48 ILE HB 1 55 TYR H . . 4.380 3.792 3.508 4.025 . 0 0 "[ . 1 . 2]" 1
889 1 48 ILE HB 1 55 TYR QD . . 4.150 3.969 3.636 4.157 0.007 15 0 "[ . 1 . 2]" 1
890 1 48 ILE MD 1 57 ARG H . . 4.540 3.912 3.247 4.537 . 0 0 "[ . 1 . 2]" 1
891 1 48 ILE MD 1 57 ARG HA . . 5.500 5.223 4.822 5.511 0.011 8 0 "[ . 1 . 2]" 1
892 1 48 ILE QG 1 49 THR H . . 4.880 4.144 3.981 4.308 . 0 0 "[ . 1 . 2]" 1
893 1 48 ILE MG 1 49 THR H . . 3.650 2.443 2.067 2.762 . 0 0 "[ . 1 . 2]" 1
894 1 48 ILE MG 1 49 THR HA . . 4.610 3.878 3.547 4.098 . 0 0 "[ . 1 . 2]" 1
895 1 48 ILE MG 1 49 THR HB . . 4.500 4.369 4.163 4.503 0.003 4 0 "[ . 1 . 2]" 1
896 1 48 ILE MG 1 50 VAL HA . . 4.420 4.246 3.948 4.415 . 0 0 "[ . 1 . 2]" 1
897 1 48 ILE MG 1 50 VAL HB . . 4.330 4.191 3.928 4.338 0.008 15 0 "[ . 1 . 2]" 1
898 1 48 ILE MG 1 55 TYR QB . . 3.840 3.532 2.935 3.843 0.003 3 0 "[ . 1 . 2]" 1
899 1 48 ILE MG 1 55 TYR QD . . 4.130 3.776 3.161 4.136 0.006 14 0 "[ . 1 . 2]" 1
900 1 49 THR H 1 49 THR HB . . 3.260 2.576 2.495 2.695 . 0 0 "[ . 1 . 2]" 1
901 1 49 THR H 1 49 THR MG . . 3.940 3.821 3.788 3.875 . 0 0 "[ . 1 . 2]" 1
902 1 49 THR H 1 50 VAL H . . 4.510 4.298 4.070 4.429 . 0 0 "[ . 1 . 2]" 1
903 1 49 THR H 1 50 VAL QG . . 4.600 3.860 3.531 4.156 . 0 0 "[ . 1 . 2]" 1
904 1 49 THR H 1 55 TYR H . . 5.330 4.734 4.506 4.973 . 0 0 "[ . 1 . 2]" 1
905 1 49 THR HA 1 49 THR MG . . 3.390 2.344 2.202 2.413 . 0 0 "[ . 1 . 2]" 1
906 1 49 THR HA 1 50 VAL H . . 2.710 2.152 2.142 2.166 . 0 0 "[ . 1 . 2]" 1
907 1 49 THR HA 1 50 VAL QG . . 4.420 3.754 3.593 3.866 . 0 0 "[ . 1 . 2]" 1
908 1 49 THR HA 1 53 LYS H . . 4.480 4.252 3.979 4.488 0.008 15 0 "[ . 1 . 2]" 1
909 1 49 THR HA 1 55 TYR H . . 3.660 3.342 2.988 3.614 . 0 0 "[ . 1 . 2]" 1
910 1 49 THR HB 1 50 VAL H . . 4.660 4.325 4.196 4.404 . 0 0 "[ . 1 . 2]" 1
911 1 49 THR MG 1 50 VAL H . . 3.840 2.924 2.413 3.148 . 0 0 "[ . 1 . 2]" 1
912 1 49 THR MG 1 50 VAL HA . . 4.700 3.695 3.491 3.932 . 0 0 "[ . 1 . 2]" 1
913 1 49 THR MG 1 51 ASN H . . 4.200 4.138 3.794 4.205 0.005 19 0 "[ . 1 . 2]" 1
914 1 49 THR MG 1 52 GLY H . . 3.410 2.756 2.414 2.867 . 0 0 "[ . 1 . 2]" 1
915 1 49 THR MG 1 52 GLY HA2 . . 4.130 2.752 2.534 2.821 . 0 0 "[ . 1 . 2]" 1
916 1 49 THR MG 1 52 GLY HA3 . . 4.130 4.089 3.840 4.134 0.004 19 0 "[ . 1 . 2]" 1
917 1 49 THR MG 1 53 LYS H . . 3.880 3.142 2.774 3.489 . 0 0 "[ . 1 . 2]" 1
918 1 49 THR MG 1 55 TYR H . . 5.350 4.992 4.626 5.292 . 0 0 "[ . 1 . 2]" 1
919 1 50 VAL H 1 50 VAL HB . . 3.600 2.699 2.593 2.803 . 0 0 "[ . 1 . 2]" 1
920 1 50 VAL H 1 50 VAL QG . . 3.500 2.782 2.620 2.917 . 0 0 "[ . 1 . 2]" 1
921 1 50 VAL H 1 51 ASN H . . 4.540 4.277 4.068 4.366 . 0 0 "[ . 1 . 2]" 1
922 1 50 VAL H 1 52 GLY H . . 4.440 4.038 3.552 4.400 . 0 0 "[ . 1 . 2]" 1
923 1 50 VAL H 1 53 LYS H . . 3.470 2.992 2.667 3.438 . 0 0 "[ . 1 . 2]" 1
924 1 50 VAL H 1 53 LYS QB . . 4.640 3.526 3.163 3.930 . 0 0 "[ . 1 . 2]" 1
925 1 50 VAL H 1 54 THR HA . . 4.110 3.701 3.371 4.103 . 0 0 "[ . 1 . 2]" 1
926 1 50 VAL H 1 55 TYR H . . 4.790 4.202 3.942 4.626 . 0 0 "[ . 1 . 2]" 1
927 1 50 VAL H 1 55 TYR QD . . 4.380 2.727 2.271 3.511 . 0 0 "[ . 1 . 2]" 1
928 1 50 VAL H 1 55 TYR QE . . 4.430 3.274 2.813 4.362 . 0 0 "[ . 1 . 2]" 1
929 1 50 VAL HA 1 50 VAL QG . . 3.170 2.079 2.044 2.121 . 0 0 "[ . 1 . 2]" 1
930 1 50 VAL HA 1 51 ASN H . . 2.650 2.151 2.142 2.166 . 0 0 "[ . 1 . 2]" 1
931 1 50 VAL HB 1 51 ASN H . . 4.520 4.213 4.127 4.399 . 0 0 "[ . 1 . 2]" 1
932 1 50 VAL HB 1 55 TYR QD . . 4.230 2.769 1.996 3.224 . 0 0 "[ . 1 . 2]" 1
933 1 50 VAL HB 1 55 TYR QE . . 3.590 2.123 1.998 2.813 . 0 0 "[ . 1 . 2]" 1
934 1 50 VAL QG 1 51 ASN H . . 3.450 2.631 2.335 3.027 . 0 0 "[ . 1 . 2]" 1
935 1 50 VAL QG 1 51 ASN HB2 . . 4.160 2.756 2.395 3.258 . 0 0 "[ . 1 . 2]" 1
936 1 50 VAL QG 1 51 ASN QB . . 3.470 2.682 2.344 3.141 . 0 0 "[ . 1 . 2]" 1
937 1 50 VAL QG 1 51 ASN HB3 . . 4.160 3.763 3.280 4.115 . 0 0 "[ . 1 . 2]" 1
938 1 50 VAL QG 1 52 GLY H . . 5.190 4.333 4.179 4.537 . 0 0 "[ . 1 . 2]" 1
939 1 50 VAL QG 1 55 TYR QB . . 4.100 3.509 2.725 3.880 . 0 0 "[ . 1 . 2]" 1
940 1 50 VAL QG 1 55 TYR QD . . 3.800 2.693 1.996 3.038 . 0 0 "[ . 1 . 2]" 1
941 1 50 VAL QG 1 55 TYR QE . . 3.740 3.018 2.485 3.285 . 0 0 "[ . 1 . 2]" 1
942 1 51 ASN H 1 51 ASN HA . . 2.700 2.275 2.273 2.277 . 0 0 "[ . 1 . 2]" 1
943 1 51 ASN H 1 51 ASN QB . . 3.620 3.109 2.887 3.384 . 0 0 "[ . 1 . 2]" 1
944 1 51 ASN H 1 52 GLY H . . 3.480 2.726 2.627 2.829 . 0 0 "[ . 1 . 2]" 1
945 1 51 ASN H 1 52 GLY QA . . 5.030 4.603 4.520 4.673 . 0 0 "[ . 1 . 2]" 1
946 1 51 ASN H 1 53 LYS H . . 4.660 4.060 3.955 4.135 . 0 0 "[ . 1 . 2]" 1
947 1 51 ASN HA 1 52 GLY H . . 3.130 2.888 2.753 3.001 . 0 0 "[ . 1 . 2]" 1
948 1 51 ASN QB 1 52 GLY H . . 4.450 3.818 3.723 3.894 . 0 0 "[ . 1 . 2]" 1
949 1 52 GLY H 1 53 LYS H . . 3.440 2.540 2.449 2.612 . 0 0 "[ . 1 . 2]" 1
950 1 53 LYS H 1 53 LYS QB . . 3.320 2.486 2.237 2.706 . 0 0 "[ . 1 . 2]" 1
951 1 53 LYS H 1 53 LYS QE . . 4.980 4.745 4.429 4.981 0.001 12 0 "[ . 1 . 2]" 1
952 1 53 LYS H 1 53 LYS HG2 . . 4.380 3.642 2.436 4.383 0.003 18 0 "[ . 1 . 2]" 1
953 1 53 LYS H 1 53 LYS QG . . 3.800 3.101 2.255 3.898 0.098 15 0 "[ . 1 . 2]" 1
954 1 53 LYS H 1 53 LYS HG3 . . 4.380 3.711 2.280 4.400 0.020 7 0 "[ . 1 . 2]" 1
955 1 53 LYS H 1 55 TYR QD . . 4.940 4.858 4.636 4.935 . 0 0 "[ . 1 . 2]" 1
956 1 53 LYS HA 1 53 LYS QD . . 4.660 3.054 1.980 4.232 . 0 0 "[ . 1 . 2]" 1
957 1 53 LYS HA 1 53 LYS QG . . 3.630 2.593 2.280 3.043 . 0 0 "[ . 1 . 2]" 1
958 1 53 LYS HA 1 54 THR H . . 2.800 2.162 2.139 2.275 . 0 0 "[ . 1 . 2]" 1
959 1 53 LYS HA 1 54 THR HA . . 4.580 4.380 4.350 4.403 . 0 0 "[ . 1 . 2]" 1
960 1 53 LYS HA 1 54 THR MG . . 4.930 4.604 4.442 4.953 0.023 15 0 "[ . 1 . 2]" 1
961 1 53 LYS QB 1 55 TYR QD . . 4.350 3.608 2.798 4.111 . 0 0 "[ . 1 . 2]" 1
962 1 53 LYS QB 1 55 TYR QE . . 3.700 2.256 1.960 3.179 . 0 0 "[ . 1 . 2]" 1
963 1 53 LYS QD 1 53 LYS QG . . 2.420 2.061 2.006 2.092 . 0 0 "[ . 1 . 2]" 1
964 1 53 LYS QG 1 54 THR H . . 4.810 4.109 2.323 4.747 . 0 0 "[ . 1 . 2]" 1
965 1 54 THR H 1 54 THR HB . . 3.500 3.403 3.160 3.491 . 0 0 "[ . 1 . 2]" 1
966 1 54 THR H 1 54 THR MG . . 4.000 3.179 2.970 3.620 . 0 0 "[ . 1 . 2]" 1
967 1 54 THR H 1 55 TYR H . . 4.550 4.517 4.389 4.554 0.004 9 0 "[ . 1 . 2]" 1
968 1 54 THR HA 1 54 THR MG . . 3.190 2.148 1.964 2.190 . 0 0 "[ . 1 . 2]" 1
969 1 54 THR HA 1 55 TYR H . . 2.700 2.154 2.142 2.180 . 0 0 "[ . 1 . 2]" 1
970 1 54 THR HA 1 55 TYR HA . . 4.530 4.397 4.392 4.407 . 0 0 "[ . 1 . 2]" 1
971 1 54 THR HB 1 55 TYR H . . 4.230 3.454 3.293 3.852 . 0 0 "[ . 1 . 2]" 1
972 1 54 THR HB 1 55 TYR HA . . 4.380 4.286 4.176 4.387 0.007 14 0 "[ . 1 . 2]" 1
973 1 54 THR MG 1 55 TYR H . . 3.450 3.319 3.070 3.452 0.002 4 0 "[ . 1 . 2]" 1
974 1 55 TYR H 1 55 TYR HB2 . . 3.970 2.546 2.392 2.628 . 0 0 "[ . 1 . 2]" 1
975 1 55 TYR H 1 55 TYR QB . . 3.330 2.504 2.359 2.581 . 0 0 "[ . 1 . 2]" 1
976 1 55 TYR H 1 55 TYR HB3 . . 3.970 3.715 3.542 3.773 . 0 0 "[ . 1 . 2]" 1
977 1 55 TYR H 1 55 TYR QD . . 3.750 3.075 2.820 3.745 . 0 0 "[ . 1 . 2]" 1
978 1 55 TYR H 1 56 GLU H . . 4.770 4.476 4.446 4.520 . 0 0 "[ . 1 . 2]" 1
979 1 55 TYR HA 1 55 TYR QD . . 3.820 2.806 2.539 2.929 . 0 0 "[ . 1 . 2]" 1
980 1 55 TYR HA 1 55 TYR QE . . 4.590 4.554 4.325 4.592 0.002 4 0 "[ . 1 . 2]" 1
981 1 55 TYR HA 1 56 GLU H . . 2.850 2.278 2.247 2.356 . 0 0 "[ . 1 . 2]" 1
982 1 55 TYR HA 1 56 GLU QB . . 4.530 4.209 4.079 4.399 . 0 0 "[ . 1 . 2]" 1
983 1 55 TYR HA 1 56 GLU QG . . 4.200 3.985 3.657 4.200 . 9 0 "[ . 1 . 2]" 1
984 1 55 TYR QB 1 56 GLU H . . 3.320 2.716 2.533 2.788 . 0 0 "[ . 1 . 2]" 1
985 1 55 TYR HB2 1 56 GLU H . . 3.960 3.954 3.847 3.995 0.035 15 0 "[ . 1 . 2]" 1
986 1 55 TYR HB3 1 56 GLU H . . 3.960 2.768 2.569 2.848 . 0 0 "[ . 1 . 2]" 1
987 1 55 TYR QD 1 56 GLU H . . 4.100 3.598 2.604 3.908 . 0 0 "[ . 1 . 2]" 1
988 1 56 GLU H 1 56 GLU QB . . 3.090 2.508 2.373 2.789 . 0 0 "[ . 1 . 2]" 1
989 1 56 GLU H 1 56 GLU QG . . 3.630 3.259 2.827 3.601 . 0 0 "[ . 1 . 2]" 1
990 1 56 GLU H 1 57 ARG H . . 4.570 4.408 4.105 4.517 . 0 0 "[ . 1 . 2]" 1
991 1 56 GLU HA 1 56 GLU QG . . 3.640 2.322 2.147 2.451 . 0 0 "[ . 1 . 2]" 1
992 1 56 GLU HA 1 57 ARG H . . 2.970 2.208 2.141 2.262 . 0 0 "[ . 1 . 2]" 1
993 1 56 GLU HA 1 57 ARG HA . . 4.700 4.454 4.395 4.496 . 0 0 "[ . 1 . 2]" 1
994 1 56 GLU HA 1 57 ARG QG . . 4.130 3.813 3.432 4.003 . 0 0 "[ . 1 . 2]" 1
995 1 56 GLU QB 1 57 ARG H . . 3.940 2.968 2.742 3.353 . 0 0 "[ . 1 . 2]" 1
996 1 56 GLU QB 1 57 ARG HA . . 4.790 3.940 3.839 4.073 . 0 0 "[ . 1 . 2]" 1
997 1 56 GLU QG 1 57 ARG H . . 4.100 3.837 3.516 4.099 . 0 0 "[ . 1 . 2]" 1
998 1 57 ARG H 1 57 ARG QG . . 4.080 2.602 2.309 2.772 . 0 0 "[ . 1 . 2]" 1
999 1 57 ARG H 1 58 GLN H . . 4.520 4.328 4.244 4.420 . 0 0 "[ . 1 . 2]" 1
1000 1 57 ARG HA 1 57 ARG QD . . 4.820 4.239 3.546 4.527 . 0 0 "[ . 1 . 2]" 1
1001 1 57 ARG HA 1 57 ARG QG . . 3.490 3.347 3.328 3.442 . 0 0 "[ . 1 . 2]" 1
1002 1 57 ARG HA 1 58 GLN H . . 2.710 2.306 2.235 2.489 . 0 0 "[ . 1 . 2]" 1
1003 1 57 ARG QB 1 58 GLN H . . 3.700 2.667 2.216 2.874 . 0 0 "[ . 1 . 2]" 1
1004 1 57 ARG QD 1 58 GLN H . . 4.760 4.413 3.128 4.863 0.103 7 0 "[ . 1 . 2]" 1
1005 1 57 ARG QG 1 58 GLN H . . 4.100 3.743 3.201 4.100 . 0 0 "[ . 1 . 2]" 1
1006 1 58 GLN H 1 58 GLN HB2 . . 4.040 3.379 2.211 3.757 . 0 0 "[ . 1 . 2]" 1
1007 1 58 GLN H 1 58 GLN QB . . 3.470 2.614 2.187 2.916 . 0 0 "[ . 1 . 2]" 1
1008 1 58 GLN H 1 58 GLN HB3 . . 4.040 2.981 2.627 3.667 . 0 0 "[ . 1 . 2]" 1
1009 1 58 GLN H 1 58 GLN HG2 . . 4.310 2.753 2.266 4.032 . 0 0 "[ . 1 . 2]" 1
1010 1 58 GLN H 1 58 GLN QG . . 3.480 2.419 2.136 3.255 . 0 0 "[ . 1 . 2]" 1
1011 1 58 GLN H 1 58 GLN HG3 . . 4.310 3.083 2.250 3.484 . 0 0 "[ . 1 . 2]" 1
1012 1 58 GLN HA 1 58 GLN HG2 . . 4.100 3.476 2.156 4.123 0.023 16 0 "[ . 1 . 2]" 1
1013 1 58 GLN HA 1 58 GLN QG . . 3.540 3.060 2.114 3.359 . 0 0 "[ . 1 . 2]" 1
1014 1 58 GLN HA 1 58 GLN HG3 . . 4.100 3.532 3.011 3.669 . 0 0 "[ . 1 . 2]" 1
1015 1 58 GLN HA 1 59 GLY H . . 2.680 2.212 2.177 2.290 . 0 0 "[ . 1 . 2]" 1
1016 1 58 GLN QB 1 58 GLN QE . . 3.740 2.077 1.900 3.016 . 0 0 "[ . 1 . 2]" 1
1017 1 58 GLN QB 1 58 GLN QG . . 2.310 2.072 2.026 2.086 . 0 0 "[ . 1 . 2]" 1
1018 1 58 GLN QB 1 59 GLY H . . 3.570 2.968 2.712 3.099 . 0 0 "[ . 1 . 2]" 1
1019 1 58 GLN HB2 1 59 GLY H . . 4.250 3.307 2.758 4.269 0.019 11 0 "[ . 1 . 2]" 1
1020 1 58 GLN HB3 1 59 GLY H . . 4.250 3.891 2.987 4.244 . 0 0 "[ . 1 . 2]" 1
1021 1 58 GLN QE 1 58 GLN QG . . 3.000 2.480 2.094 2.581 . 0 0 "[ . 1 . 2]" 1
1022 1 58 GLN QG 1 59 GLY H . . 4.460 3.799 3.423 4.228 . 0 0 "[ . 1 . 2]" 1
1023 1 59 GLY H 1 60 PHE H . . 4.430 4.414 4.265 4.464 0.034 18 0 "[ . 1 . 2]" 1
1024 1 59 GLY QA 1 60 PHE H . . 3.000 2.210 2.114 2.278 . 0 0 "[ . 1 . 2]" 1
1025 1 59 GLY QA 1 60 PHE HB2 . . 4.580 4.524 4.351 4.595 0.015 15 0 "[ . 1 . 2]" 1
1026 1 59 GLY QA 1 61 VAL MG1 . . 4.630 3.994 3.762 4.162 . 0 0 "[ . 1 . 2]" 1
1027 1 60 PHE H 1 60 PHE HB2 . . 3.260 2.617 2.418 2.698 . 0 0 "[ . 1 . 2]" 1
1028 1 60 PHE H 1 60 PHE HB3 . . 4.100 3.650 3.612 3.710 . 0 0 "[ . 1 . 2]" 1
1029 1 60 PHE H 1 60 PHE QD . . 3.670 2.114 1.970 2.382 . 0 0 "[ . 1 . 2]" 1
1030 1 60 PHE HA 1 60 PHE QD . . 4.180 3.059 2.879 3.149 . 0 0 "[ . 1 . 2]" 1
1031 1 60 PHE HA 1 61 VAL H . . 2.760 2.201 2.145 2.267 . 0 0 "[ . 1 . 2]" 1
1032 1 60 PHE HA 1 61 VAL MG2 . . 4.250 3.379 3.262 3.646 . 0 0 "[ . 1 . 2]" 1
1033 1 60 PHE HB2 1 61 VAL H . . 4.160 3.936 3.790 4.165 0.005 3 0 "[ . 1 . 2]" 1
1034 1 60 PHE HB3 1 61 VAL H . . 3.650 3.071 2.811 3.366 . 0 0 "[ . 1 . 2]" 1
1035 1 61 VAL H 1 61 VAL MG1 . . 3.760 3.341 3.199 3.459 . 0 0 "[ . 1 . 2]" 1
1036 1 61 VAL H 1 61 VAL MG2 . . 3.130 2.314 2.198 2.402 . 0 0 "[ . 1 . 2]" 1
1037 1 61 VAL HA 1 61 VAL MG1 . . 3.180 2.216 2.086 2.306 . 0 0 "[ . 1 . 2]" 1
1038 1 61 VAL HA 1 61 VAL MG2 . . 3.650 3.186 3.180 3.192 . 0 0 "[ . 1 . 2]" 1
1039 1 61 VAL HA 1 62 PRO HD2 . . 3.620 2.425 2.405 2.437 . 0 0 "[ . 1 . 2]" 1
1040 1 61 VAL HA 1 62 PRO HD3 . . 3.120 2.309 2.302 2.315 . 0 0 "[ . 1 . 2]" 1
1041 1 61 VAL HA 1 62 PRO QG . . 4.510 4.018 4.005 4.025 . 0 0 "[ . 1 . 2]" 1
1042 1 61 VAL HB 1 62 PRO HD2 . . 2.990 1.977 1.962 1.996 . 0 0 "[ . 1 . 2]" 1
1043 1 61 VAL HB 1 62 PRO HD3 . . 3.650 3.431 3.418 3.447 . 0 0 "[ . 1 . 2]" 1
1044 1 61 VAL HB 1 62 PRO QG . . 4.550 3.551 3.537 3.572 . 0 0 "[ . 1 . 2]" 1
1045 1 61 VAL MG1 1 62 PRO HD2 . . 3.330 2.749 2.640 2.893 . 0 0 "[ . 1 . 2]" 1
1046 1 61 VAL MG1 1 62 PRO HD3 . . 4.520 3.515 3.445 3.651 . 0 0 "[ . 1 . 2]" 1
1047 1 61 VAL MG2 1 62 PRO HD2 . . 3.840 3.663 3.637 3.673 . 0 0 "[ . 1 . 2]" 1
1048 1 61 VAL MG2 1 62 PRO HD3 . . 4.610 4.568 4.547 4.577 . 0 0 "[ . 1 . 2]" 1
1049 1 61 VAL MG2 1 63 ALA HA . . 4.610 4.140 3.999 4.283 . 0 0 "[ . 1 . 2]" 1
1050 1 62 PRO HA 1 63 ALA H . . 2.640 2.173 2.157 2.193 . 0 0 "[ . 1 . 2]" 1
1051 1 62 PRO HA 1 63 ALA MB . . 4.130 4.012 3.983 4.037 . 0 0 "[ . 1 . 2]" 1
1052 1 62 PRO HA 1 64 ALA H . . 4.200 3.549 3.517 3.631 . 0 0 "[ . 1 . 2]" 1
1053 1 62 PRO HB2 1 63 ALA H . . 4.290 3.856 3.754 3.935 . 0 0 "[ . 1 . 2]" 1
1054 1 62 PRO HB2 1 64 ALA H . . 3.890 3.236 3.017 3.459 . 0 0 "[ . 1 . 2]" 1
1055 1 62 PRO HB2 1 65 TYR H . . 3.790 2.869 2.769 2.979 . 0 0 "[ . 1 . 2]" 1
1056 1 62 PRO HB2 1 65 TYR HB2 . . 4.410 2.813 2.381 3.108 . 0 0 "[ . 1 . 2]" 1
1057 1 62 PRO HB2 1 65 TYR QD . . 4.330 2.846 1.997 3.229 . 0 0 "[ . 1 . 2]" 1
1058 1 62 PRO HB2 1 65 TYR QE . . 4.530 4.226 3.385 4.538 0.008 11 0 "[ . 1 . 2]" 1
1059 1 62 PRO HB3 1 63 ALA H . . 4.190 4.229 4.155 4.287 0.097 19 0 "[ . 1 . 2]" 1
1060 1 62 PRO HB3 1 64 ALA H . . 4.560 4.381 4.253 4.521 . 0 0 "[ . 1 . 2]" 1
1061 1 62 PRO HD2 1 65 TYR HB2 . . 4.370 4.027 3.837 4.170 . 0 0 "[ . 1 . 2]" 1
1062 1 62 PRO HD2 1 66 VAL QG . . 4.960 4.080 3.958 4.123 . 0 0 "[ . 1 . 2]" 1
1063 1 62 PRO HD3 1 66 VAL QG . . 5.260 5.268 5.154 5.298 0.038 17 0 "[ . 1 . 2]" 1
1064 1 62 PRO QG 1 64 ALA H . . 5.030 4.754 4.554 4.948 . 0 0 "[ . 1 . 2]" 1
1065 1 62 PRO QG 1 65 TYR QE . . 4.760 4.194 3.666 4.428 . 0 0 "[ . 1 . 2]" 1
1066 1 63 ALA H 1 63 ALA MB . . 2.820 2.173 2.103 2.220 . 0 0 "[ . 1 . 2]" 1
1067 1 63 ALA H 1 64 ALA H . . 3.220 2.648 2.638 2.673 . 0 0 "[ . 1 . 2]" 1
1068 1 63 ALA H 1 64 ALA MB . . 4.500 4.322 4.304 4.343 . 0 0 "[ . 1 . 2]" 1
1069 1 63 ALA H 1 65 TYR H . . 4.390 4.120 4.061 4.157 . 0 0 "[ . 1 . 2]" 1
1070 1 63 ALA H 1 66 VAL QG . . 4.210 3.993 3.948 4.046 . 0 0 "[ . 1 . 2]" 1
1071 1 63 ALA HA 1 64 ALA MB . . 5.110 4.995 4.986 5.008 . 0 0 "[ . 1 . 2]" 1
1072 1 63 ALA HA 1 65 TYR H . . 4.310 3.561 3.526 3.602 . 0 0 "[ . 1 . 2]" 1
1073 1 63 ALA HA 1 66 VAL H . . 4.350 3.217 3.073 3.410 . 0 0 "[ . 1 . 2]" 1
1074 1 63 ALA HA 1 66 VAL QG . . 3.350 1.901 1.879 1.933 . 0 0 "[ . 1 . 2]" 1
1075 1 63 ALA MB 1 64 ALA H . . 3.190 2.798 2.725 2.884 . 0 0 "[ . 1 . 2]" 1
1076 1 63 ALA MB 1 64 ALA HA . . 4.500 3.826 3.779 3.858 . 0 0 "[ . 1 . 2]" 1
1077 1 63 ALA MB 1 64 ALA MB . . 4.090 3.880 3.820 3.957 . 0 0 "[ . 1 . 2]" 1
1078 1 63 ALA MB 1 65 TYR H . . 4.950 4.235 4.216 4.245 . 0 0 "[ . 1 . 2]" 1
1079 1 63 ALA MB 1 66 VAL QG . . 3.550 2.963 2.907 3.037 . 0 0 "[ . 1 . 2]" 1
1080 1 64 ALA H 1 64 ALA MB . . 2.710 2.231 2.190 2.238 . 0 0 "[ . 1 . 2]" 1
1081 1 64 ALA H 1 65 TYR H . . 3.020 2.620 2.606 2.655 . 0 0 "[ . 1 . 2]" 1
1082 1 64 ALA H 1 65 TYR HB2 . . 4.710 4.582 4.531 4.712 0.002 3 0 "[ . 1 . 2]" 1
1083 1 64 ALA H 1 65 TYR QD . . 4.730 3.985 3.472 4.236 . 0 0 "[ . 1 . 2]" 1
1084 1 64 ALA H 1 66 VAL H . . 4.440 4.048 4.025 4.110 . 0 0 "[ . 1 . 2]" 1
1085 1 64 ALA HA 1 66 VAL H . . 4.180 3.841 3.703 4.018 . 0 0 "[ . 1 . 2]" 1
1086 1 64 ALA HA 1 66 VAL QG . . 4.800 4.618 4.509 4.702 . 0 0 "[ . 1 . 2]" 1
1087 1 64 ALA MB 1 65 TYR H . . 3.120 3.059 3.005 3.082 . 0 0 "[ . 1 . 2]" 1
1088 1 64 ALA MB 1 65 TYR HB2 . . 4.590 4.403 4.335 4.544 . 0 0 "[ . 1 . 2]" 1
1089 1 64 ALA MB 1 65 TYR QD . . 3.810 2.501 2.347 2.646 . 0 0 "[ . 1 . 2]" 1
1090 1 64 ALA MB 1 65 TYR QE . . 4.430 3.451 3.072 3.628 . 0 0 "[ . 1 . 2]" 1
1091 1 64 ALA MB 1 66 VAL H . . 4.510 4.452 4.419 4.499 . 0 0 "[ . 1 . 2]" 1
1092 1 65 TYR H 1 65 TYR HB2 . . 3.050 2.321 2.278 2.379 . 0 0 "[ . 1 . 2]" 1
1093 1 65 TYR H 1 65 TYR HB3 . . 3.620 3.564 3.538 3.620 . 0 0 "[ . 1 . 2]" 1
1094 1 65 TYR H 1 65 TYR QD . . 3.900 2.720 2.356 2.885 . 0 0 "[ . 1 . 2]" 1
1095 1 65 TYR H 1 66 VAL H . . 3.020 2.198 2.159 2.279 . 0 0 "[ . 1 . 2]" 1
1096 1 65 TYR H 1 66 VAL QG . . 3.820 3.246 3.145 3.327 . 0 0 "[ . 1 . 2]" 1
1097 1 65 TYR HA 1 65 TYR QD . . 4.140 2.696 2.445 3.063 . 0 0 "[ . 1 . 2]" 1
1098 1 65 TYR HB2 1 66 VAL H . . 4.230 3.519 3.272 3.734 . 0 0 "[ . 1 . 2]" 1
1099 1 65 TYR HB2 1 66 VAL QG . . 4.030 3.201 3.064 3.272 . 0 0 "[ . 1 . 2]" 1
1100 1 65 TYR HB3 1 66 VAL H . . 4.870 4.029 3.853 4.139 . 0 0 "[ . 1 . 2]" 1
1101 1 65 TYR HB3 1 66 VAL QG . . 4.160 3.191 3.113 3.342 . 0 0 "[ . 1 . 2]" 1
1102 1 66 VAL H 1 66 VAL QG . . 2.870 2.168 2.099 2.233 . 0 0 "[ . 1 . 2]" 1
1103 1 66 VAL H 1 67 LYS H . . 4.740 4.399 4.369 4.430 . 0 0 "[ . 1 . 2]" 1
1104 1 66 VAL HA 1 66 VAL QG . . 3.170 2.266 2.197 2.335 . 0 0 "[ . 1 . 2]" 1
1105 1 66 VAL HA 1 67 LYS H . . 2.930 2.607 2.547 2.665 . 0 0 "[ . 1 . 2]" 1
1106 1 66 VAL HB 1 67 LYS H . . 3.150 2.036 1.968 2.132 . 0 0 "[ . 1 . 2]" 1
1107 1 66 VAL HB 1 67 LYS QG . . 4.820 4.511 4.170 4.875 0.055 10 0 "[ . 1 . 2]" 1
1108 1 66 VAL QG 1 67 LYS H . . 3.530 2.802 2.687 2.889 . 0 0 "[ . 1 . 2]" 1
1109 1 66 VAL QG 1 68 LYS H . . 5.020 4.927 4.657 5.028 0.008 13 0 "[ . 1 . 2]" 1
1110 1 67 LYS H 1 67 LYS QB . . 3.360 3.057 2.688 3.279 . 0 0 "[ . 1 . 2]" 1
1111 1 67 LYS H 1 67 LYS QG . . 3.620 2.916 2.406 3.511 . 0 0 "[ . 1 . 2]" 1
1112 1 67 LYS H 1 68 LYS H . . 4.560 4.371 4.321 4.410 . 0 0 "[ . 1 . 2]" 1
1113 1 67 LYS HA 1 67 LYS QG . . 3.720 3.029 2.222 3.406 . 0 0 "[ . 1 . 2]" 1
1114 1 67 LYS HA 1 68 LYS H . . 2.650 2.408 2.277 2.512 . 0 0 "[ . 1 . 2]" 1
1115 1 67 LYS HA 1 68 LYS QB . . 4.850 4.189 3.981 4.396 . 0 0 "[ . 1 . 2]" 1
1116 1 67 LYS QB 1 67 LYS QE . . 3.460 2.505 1.978 3.428 . 0 0 "[ . 1 . 2]" 1
1117 1 67 LYS QB 1 68 LYS H . . 3.100 2.419 2.167 2.721 . 0 0 "[ . 1 . 2]" 1
1118 1 67 LYS QD 1 67 LYS QG . . 2.400 2.026 2.005 2.073 . 0 0 "[ . 1 . 2]" 1
1119 1 67 LYS QE 1 68 LYS H . . 4.960 4.049 2.952 4.955 . 0 0 "[ . 1 . 2]" 1
1120 1 67 LYS QG 1 68 LYS H . . 4.620 3.692 3.154 4.282 . 0 0 "[ . 1 . 2]" 1
1121 1 68 LYS H 1 68 LYS HB2 . . 3.470 2.344 2.127 3.034 . 0 0 "[ . 1 . 2]" 1
1122 1 68 LYS H 1 68 LYS HB3 . . 3.470 2.993 2.457 3.477 0.007 12 0 "[ . 1 . 2]" 1
1123 1 68 LYS H 1 68 LYS QG . . 4.850 3.740 3.049 4.125 . 0 0 "[ . 1 . 2]" 1
1124 1 68 LYS H 1 69 LEU H . . 4.680 4.564 4.463 4.624 . 0 0 "[ . 1 . 2]" 1
1125 1 68 LYS HA 1 68 LYS QG . . 3.710 2.254 2.072 2.480 . 0 0 "[ . 1 . 2]" 1
1126 1 68 LYS HA 1 69 LEU H . . 2.710 2.190 2.152 2.268 . 0 0 "[ . 1 . 2]" 1
1127 1 68 LYS QB 1 69 LEU H . . 4.370 3.429 2.883 3.707 . 0 0 "[ . 1 . 2]" 1
1128 1 68 LYS QB 1 70 ASP H . . 4.550 3.401 2.334 4.545 . 0 0 "[ . 1 . 2]" 1
1129 1 68 LYS QG 1 69 LEU H . . 4.000 2.906 2.056 3.617 . 0 0 "[ . 1 . 2]" 1
1130 1 68 LYS QG 1 70 ASP H . . 4.270 2.986 2.074 4.105 . 0 0 "[ . 1 . 2]" 1
1131 1 69 LEU H 1 69 LEU QB . . 2.970 2.240 2.105 2.423 . 0 0 "[ . 1 . 2]" 1
1132 1 69 LEU H 1 69 LEU QD . . 3.750 3.420 2.197 3.743 . 0 0 "[ . 1 . 2]" 1
1133 1 69 LEU H 1 70 ASP H . . 3.160 2.566 2.087 2.870 . 0 0 "[ . 1 . 2]" 1
1134 1 69 LEU HA 1 69 LEU QD . . 3.120 2.471 1.920 3.211 0.091 9 0 "[ . 1 . 2]" 1
1135 1 69 LEU QB 1 69 LEU QD . . 2.800 1.879 1.792 2.004 . 0 0 "[ . 1 . 2]" 1
1136 1 69 LEU QB 1 70 ASP H . . 3.640 2.673 2.191 3.511 . 0 0 "[ . 1 . 2]" 1
1137 1 69 LEU QD 1 70 ASP H . . 4.270 3.643 2.795 4.249 . 0 0 "[ . 1 . 2]" 1
1138 1 70 ASP H 1 70 ASP QB . . 3.510 2.553 2.207 3.266 . 0 0 "[ . 1 . 2]" 1
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