NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
461256 |
2dl5   |
11222 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dl5
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 1463
_Distance_constraint_stats_list.Viol_count 246
_Distance_constraint_stats_list.Viol_total 37.680
_Distance_constraint_stats_list.Viol_max 0.068
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0077
_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 8 THR 0.210 0.027 10 0 "[ . 1 . 2]"
1 9 LEU 0.198 0.030 19 0 "[ . 1 . 2]"
1 10 ARG 0.115 0.043 16 0 "[ . 1 . 2]"
1 11 ASN 0.003 0.002 3 0 "[ . 1 . 2]"
1 12 TYR 0.017 0.002 3 0 "[ . 1 . 2]"
1 13 PRO 0.001 0.001 20 0 "[ . 1 . 2]"
1 14 LEU 0.004 0.002 6 0 "[ . 1 . 2]"
1 15 THR 0.011 0.004 5 0 "[ . 1 . 2]"
1 16 CYS 0.013 0.004 20 0 "[ . 1 . 2]"
1 17 LYS 0.010 0.004 6 0 "[ . 1 . 2]"
1 18 VAL 0.013 0.002 5 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 14 0 "[ . 1 . 2]"
1 20 TYR 0.002 0.002 20 0 "[ . 1 . 2]"
1 21 SER 0.008 0.003 4 0 "[ . 1 . 2]"
1 22 TYR 0.004 0.001 19 0 "[ . 1 . 2]"
1 23 LYS 0.012 0.006 10 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 2 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.001 0.001 20 0 "[ . 1 . 2]"
1 27 PRO 0.001 0.001 20 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.045 0.021 20 0 "[ . 1 . 2]"
1 30 LEU 0.026 0.004 18 0 "[ . 1 . 2]"
1 31 THR 0.001 0.001 11 0 "[ . 1 . 2]"
1 32 ILE 0.540 0.036 4 0 "[ . 1 . 2]"
1 33 GLU 0.531 0.036 4 0 "[ . 1 . 2]"
1 34 GLU 0.004 0.003 16 0 "[ . 1 . 2]"
1 35 HIS 0.009 0.002 5 0 "[ . 1 . 2]"
1 36 GLU 0.001 0.001 4 0 "[ . 1 . 2]"
1 37 VAL 0.001 0.001 15 0 "[ . 1 . 2]"
1 38 LEU 0.016 0.004 4 0 "[ . 1 . 2]"
1 39 GLU 0.050 0.012 19 0 "[ . 1 . 2]"
1 40 VAL 0.013 0.005 19 0 "[ . 1 . 2]"
1 41 ILE 0.028 0.006 20 0 "[ . 1 . 2]"
1 42 GLU 0.073 0.017 4 0 "[ . 1 . 2]"
1 43 ASP 0.076 0.034 15 0 "[ . 1 . 2]"
1 44 GLY 0.076 0.034 15 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 MET 0.023 0.006 5 0 "[ . 1 . 2]"
1 47 GLU 0.036 0.023 13 0 "[ . 1 . 2]"
1 48 ASP 0.036 0.023 13 0 "[ . 1 . 2]"
1 49 TRP 0.019 0.004 18 0 "[ . 1 . 2]"
1 50 VAL 0.006 0.004 4 0 "[ . 1 . 2]"
1 51 LYS 0.288 0.031 18 0 "[ . 1 . 2]"
1 52 ALA 0.010 0.004 4 0 "[ . 1 . 2]"
1 53 ARG 0.024 0.005 18 0 "[ . 1 . 2]"
1 54 ASN 0.009 0.004 12 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.008 0.008 18 0 "[ . 1 . 2]"
1 57 GLY 0.016 0.008 18 0 "[ . 1 . 2]"
1 58 GLN 0.053 0.020 19 0 "[ . 1 . 2]"
1 59 VAL 0.067 0.020 19 0 "[ . 1 . 2]"
1 60 GLY 0.007 0.003 18 0 "[ . 1 . 2]"
1 61 TYR 0.054 0.021 20 0 "[ . 1 . 2]"
1 62 VAL 0.005 0.002 4 0 "[ . 1 . 2]"
1 63 PRO 0.006 0.004 20 0 "[ . 1 . 2]"
1 64 GLU 0.066 0.029 5 0 "[ . 1 . 2]"
1 65 LYS 0.130 0.068 17 0 "[ . 1 . 2]"
1 66 TYR 0.004 0.002 20 0 "[ . 1 . 2]"
1 67 LEU 0.006 0.003 20 0 "[ . 1 . 2]"
1 68 GLN 0.054 0.020 5 0 "[ . 1 . 2]"
1 69 PHE 0.051 0.020 5 0 "[ . 1 . 2]"
1 70 PRO 0.003 0.002 8 0 "[ . 1 . 2]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PRO 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 8 THR H 1 8 THR MG . . 4.430 2.560 2.009 3.102 . 0 0 "[ . 1 . 2]" 1
2 1 8 THR H 1 9 LEU H . . 5.000 3.875 1.889 4.649 . 0 0 "[ . 1 . 2]" 1
3 1 8 THR HA 1 8 THR HB . . 2.580 2.501 2.388 2.604 0.024 11 0 "[ . 1 . 2]" 1
4 1 8 THR HA 1 8 THR MG . . 3.310 2.661 2.123 3.201 . 0 0 "[ . 1 . 2]" 1
5 1 8 THR HA 1 9 LEU H . . 3.260 2.514 2.142 3.287 0.027 10 0 "[ . 1 . 2]" 1
6 1 8 THR HB 1 9 LEU H . . 4.160 3.584 2.244 4.180 0.020 11 0 "[ . 1 . 2]" 1
7 1 8 THR MG 1 9 LEU H . . 4.580 3.711 2.722 4.344 . 0 0 "[ . 1 . 2]" 1
8 1 9 LEU H 1 9 LEU QB . . 3.370 2.482 2.150 3.140 . 0 0 "[ . 1 . 2]" 1
9 1 9 LEU H 1 9 LEU HG . . 4.990 3.629 2.417 4.808 . 0 0 "[ . 1 . 2]" 1
10 1 9 LEU H 1 10 ARG H . . 5.320 4.299 3.152 4.642 . 0 0 "[ . 1 . 2]" 1
11 1 9 LEU HA 1 9 LEU MD1 . . 4.330 3.324 1.993 4.097 . 0 0 "[ . 1 . 2]" 1
12 1 9 LEU HA 1 9 LEU QD . . 3.240 2.710 1.968 3.270 0.030 19 0 "[ . 1 . 2]" 1
13 1 9 LEU HA 1 9 LEU MD2 . . 4.330 3.263 1.975 4.111 . 0 0 "[ . 1 . 2]" 1
14 1 9 LEU HA 1 9 LEU HG . . 3.840 2.918 2.287 3.764 . 0 0 "[ . 1 . 2]" 1
15 1 9 LEU HA 1 10 ARG H . . 3.300 2.325 2.139 2.752 . 0 0 "[ . 1 . 2]" 1
16 1 9 LEU QB 1 10 ARG H . . 4.290 3.044 1.952 3.855 . 0 0 "[ . 1 . 2]" 1
17 1 10 ARG H 1 10 ARG HB2 . . 3.990 2.652 2.267 3.889 . 0 0 "[ . 1 . 2]" 1
18 1 10 ARG H 1 10 ARG QB . . 3.320 2.575 2.242 3.327 0.007 16 0 "[ . 1 . 2]" 1
19 1 10 ARG H 1 10 ARG HB3 . . 3.990 3.675 3.541 4.005 0.015 1 0 "[ . 1 . 2]" 1
20 1 10 ARG H 1 10 ARG QG . . 3.570 2.631 1.951 3.326 . 0 0 "[ . 1 . 2]" 1
21 1 10 ARG HA 1 10 ARG HD2 . . 5.020 4.260 3.353 4.916 . 0 0 "[ . 1 . 2]" 1
22 1 10 ARG HA 1 10 ARG QD . . 4.200 3.418 2.010 4.179 . 0 0 "[ . 1 . 2]" 1
23 1 10 ARG HA 1 10 ARG HD3 . . 5.020 3.717 2.026 4.597 . 0 0 "[ . 1 . 2]" 1
24 1 10 ARG HA 1 10 ARG HG2 . . 3.900 2.731 2.187 3.575 . 0 0 "[ . 1 . 2]" 1
25 1 10 ARG HA 1 10 ARG QG . . 3.270 2.508 2.148 3.313 0.043 16 0 "[ . 1 . 2]" 1
26 1 10 ARG HA 1 10 ARG HG3 . . 3.900 3.298 2.169 3.916 0.016 16 0 "[ . 1 . 2]" 1
27 1 10 ARG HA 1 11 ASN H . . 3.220 2.293 2.140 2.833 . 0 0 "[ . 1 . 2]" 1
28 1 10 ARG QB 1 10 ARG QD . . 3.060 2.135 2.021 2.328 . 0 0 "[ . 1 . 2]" 1
29 1 10 ARG QB 1 11 ASN H . . 3.830 2.976 1.943 3.831 0.001 1 0 "[ . 1 . 2]" 1
30 1 10 ARG QB 1 12 TYR QD . . 4.550 3.413 2.829 4.112 . 0 0 "[ . 1 . 2]" 1
31 1 10 ARG QB 1 12 TYR QE . . 3.790 2.711 2.141 3.789 . 0 0 "[ . 1 . 2]" 1
32 1 10 ARG QB 1 69 PHE QE . . 5.280 3.763 3.104 4.620 . 0 0 "[ . 1 . 2]" 1
33 1 10 ARG HB2 1 10 ARG HD2 . . 4.150 2.992 2.104 4.178 0.028 19 0 "[ . 1 . 2]" 1
34 1 10 ARG HB2 1 10 ARG HD3 . . 4.150 3.374 2.649 3.857 . 0 0 "[ . 1 . 2]" 1
35 1 10 ARG HB2 1 11 ASN H . . 4.600 4.009 3.297 4.462 . 0 0 "[ . 1 . 2]" 1
36 1 10 ARG HB2 1 12 TYR QD . . 5.200 4.219 2.925 4.826 . 0 0 "[ . 1 . 2]" 1
37 1 10 ARG HB2 1 12 TYR QE . . 4.580 3.398 2.443 4.426 . 0 0 "[ . 1 . 2]" 1
38 1 10 ARG HB3 1 10 ARG HD2 . . 4.150 2.908 2.187 3.492 . 0 0 "[ . 1 . 2]" 1
39 1 10 ARG HB3 1 10 ARG HD3 . . 4.150 2.686 2.119 4.107 . 0 0 "[ . 1 . 2]" 1
40 1 10 ARG HB3 1 11 ASN H . . 4.600 3.125 1.957 4.342 . 0 0 "[ . 1 . 2]" 1
41 1 10 ARG HB3 1 12 TYR QD . . 5.200 3.754 2.900 5.017 . 0 0 "[ . 1 . 2]" 1
42 1 10 ARG HB3 1 12 TYR QE . . 4.580 3.026 2.179 4.118 . 0 0 "[ . 1 . 2]" 1
43 1 10 ARG QD 1 69 PHE QE . . 3.890 2.432 1.891 3.357 . 0 0 "[ . 1 . 2]" 1
44 1 10 ARG HD2 1 12 TYR QE . . 4.150 3.114 2.064 4.151 0.001 11 0 "[ . 1 . 2]" 1
45 1 10 ARG HD2 1 69 PHE QE . . 4.440 3.020 2.090 4.436 . 0 0 "[ . 1 . 2]" 1
46 1 10 ARG HD3 1 12 TYR QE . . 4.150 3.482 2.655 4.152 0.002 3 0 "[ . 1 . 2]" 1
47 1 10 ARG HD3 1 69 PHE QE . . 4.440 2.823 2.022 4.091 . 0 0 "[ . 1 . 2]" 1
48 1 11 ASN H 1 11 ASN HB2 . . 4.080 2.891 2.300 3.674 . 0 0 "[ . 1 . 2]" 1
49 1 11 ASN H 1 11 ASN QB . . 3.400 2.547 2.273 3.175 . 0 0 "[ . 1 . 2]" 1
50 1 11 ASN H 1 11 ASN HB3 . . 4.080 3.063 2.594 3.980 . 0 0 "[ . 1 . 2]" 1
51 1 11 ASN HA 1 12 TYR H . . 2.850 2.402 2.178 2.852 0.002 3 0 "[ . 1 . 2]" 1
52 1 11 ASN QB 1 14 LEU MD2 . . 4.330 3.267 2.681 4.271 . 0 0 "[ . 1 . 2]" 1
53 1 11 ASN HB2 1 14 LEU MD2 . . 5.010 4.077 2.836 4.879 . 0 0 "[ . 1 . 2]" 1
54 1 11 ASN HB3 1 14 LEU MD2 . . 5.010 3.701 2.748 5.003 . 0 0 "[ . 1 . 2]" 1
55 1 12 TYR H 1 12 TYR HB2 . . 3.140 2.524 2.260 2.761 . 0 0 "[ . 1 . 2]" 1
56 1 12 TYR H 1 12 TYR HB3 . . 3.680 3.587 3.538 3.609 . 0 0 "[ . 1 . 2]" 1
57 1 12 TYR H 1 12 TYR QD . . 3.490 3.106 2.782 3.375 . 0 0 "[ . 1 . 2]" 1
58 1 12 TYR HA 1 12 TYR QD . . 3.190 2.089 1.993 2.326 . 0 0 "[ . 1 . 2]" 1
59 1 12 TYR HA 1 12 TYR QE . . 4.690 4.373 4.203 4.594 . 0 0 "[ . 1 . 2]" 1
60 1 12 TYR HA 1 14 LEU H . . 3.990 3.180 2.814 3.406 . 0 0 "[ . 1 . 2]" 1
61 1 12 TYR HA 1 14 LEU HB2 . . 4.960 3.476 3.328 3.643 . 0 0 "[ . 1 . 2]" 1
62 1 12 TYR HA 1 14 LEU MD1 . . 4.360 3.310 2.895 3.708 . 0 0 "[ . 1 . 2]" 1
63 1 12 TYR HA 1 14 LEU MD2 . . 4.430 3.789 3.590 4.121 . 0 0 "[ . 1 . 2]" 1
64 1 12 TYR HA 1 14 LEU HG . . 3.670 2.235 2.002 2.509 . 0 0 "[ . 1 . 2]" 1
65 1 12 TYR HB2 1 13 PRO HA . . 3.670 3.526 3.373 3.594 . 0 0 "[ . 1 . 2]" 1
66 1 12 TYR HB2 1 14 LEU H . . 5.500 5.356 4.945 5.502 0.002 6 0 "[ . 1 . 2]" 1
67 1 12 TYR HB2 1 41 ILE HA . . 4.750 4.309 3.884 4.744 . 0 0 "[ . 1 . 2]" 1
68 1 12 TYR HB3 1 13 PRO HA . . 3.160 1.989 1.987 1.991 . 0 0 "[ . 1 . 2]" 1
69 1 12 TYR HB3 1 14 LEU H . . 4.250 3.835 3.363 4.129 . 0 0 "[ . 1 . 2]" 1
70 1 12 TYR HB3 1 41 ILE HA . . 3.630 2.802 2.493 3.150 . 0 0 "[ . 1 . 2]" 1
71 1 12 TYR HB3 1 41 ILE MG . . 5.150 4.487 4.127 4.673 . 0 0 "[ . 1 . 2]" 1
72 1 12 TYR QD 1 13 PRO HA . . 3.750 3.186 2.206 3.615 . 0 0 "[ . 1 . 2]" 1
73 1 12 TYR QD 1 14 LEU H . . 3.770 3.097 2.175 3.729 . 0 0 "[ . 1 . 2]" 1
74 1 12 TYR QD 1 14 LEU HB2 . . 4.410 2.306 2.007 2.678 . 0 0 "[ . 1 . 2]" 1
75 1 12 TYR QD 1 14 LEU HB3 . . 4.470 3.882 3.689 4.123 . 0 0 "[ . 1 . 2]" 1
76 1 12 TYR QD 1 14 LEU MD1 . . 3.650 2.313 1.911 3.141 . 0 0 "[ . 1 . 2]" 1
77 1 12 TYR QD 1 14 LEU MD2 . . 4.280 3.998 3.721 4.249 . 0 0 "[ . 1 . 2]" 1
78 1 12 TYR QD 1 14 LEU HG . . 3.970 2.498 2.066 2.884 . 0 0 "[ . 1 . 2]" 1
79 1 12 TYR QD 1 40 VAL HB . . 4.270 3.280 2.723 3.732 . 0 0 "[ . 1 . 2]" 1
80 1 12 TYR QD 1 40 VAL MG1 . . 3.640 3.015 2.765 3.499 . 0 0 "[ . 1 . 2]" 1
81 1 12 TYR QD 1 40 VAL MG2 . . 4.960 4.605 4.174 4.848 . 0 0 "[ . 1 . 2]" 1
82 1 12 TYR QD 1 41 ILE HA . . 4.630 4.304 3.773 4.629 . 0 0 "[ . 1 . 2]" 1
83 1 12 TYR QD 1 42 GLU HA . . 3.800 3.428 2.431 3.802 0.002 4 0 "[ . 1 . 2]" 1
84 1 12 TYR QD 1 43 ASP H . . 4.850 4.519 3.783 4.852 0.002 20 0 "[ . 1 . 2]" 1
85 1 12 TYR QE 1 14 LEU HB2 . . 4.720 2.935 1.998 3.733 . 0 0 "[ . 1 . 2]" 1
86 1 12 TYR QE 1 14 LEU MD1 . . 3.350 2.181 1.896 2.648 . 0 0 "[ . 1 . 2]" 1
87 1 12 TYR QE 1 14 LEU MD2 . . 4.890 4.703 4.426 4.887 . 0 0 "[ . 1 . 2]" 1
88 1 12 TYR QE 1 40 VAL HB . . 4.150 3.274 2.006 4.127 . 0 0 "[ . 1 . 2]" 1
89 1 12 TYR QE 1 40 VAL MG1 . . 3.280 2.410 1.925 2.839 . 0 0 "[ . 1 . 2]" 1
90 1 12 TYR QE 1 40 VAL MG2 . . 4.580 3.894 2.827 4.484 . 0 0 "[ . 1 . 2]" 1
91 1 12 TYR QE 1 42 GLU HA . . 4.180 3.818 3.148 4.179 . 0 0 "[ . 1 . 2]" 1
92 1 12 TYR QE 1 43 ASP H . . 4.050 3.570 2.684 4.051 0.001 2 0 "[ . 1 . 2]" 1
93 1 12 TYR QE 1 43 ASP QB . . 4.390 2.615 1.994 3.928 . 0 0 "[ . 1 . 2]" 1
94 1 12 TYR QE 1 50 VAL MG1 . . 4.680 4.191 3.674 4.562 . 0 0 "[ . 1 . 2]" 1
95 1 12 TYR QE 1 69 PHE QE . . 3.830 2.479 2.001 3.829 . 0 0 "[ . 1 . 2]" 1
96 1 13 PRO HA 1 14 LEU H . . 2.990 2.335 2.224 2.406 . 0 0 "[ . 1 . 2]" 1
97 1 13 PRO HA 1 14 LEU HA . . 4.750 4.474 4.427 4.504 . 0 0 "[ . 1 . 2]" 1
98 1 13 PRO HA 1 14 LEU MD2 . . 5.470 5.152 4.944 5.438 . 0 0 "[ . 1 . 2]" 1
99 1 13 PRO HA 1 40 VAL MG1 . . 5.500 4.401 4.208 4.752 . 0 0 "[ . 1 . 2]" 1
100 1 13 PRO HA 1 41 ILE HA . . 3.560 2.711 2.537 2.928 . 0 0 "[ . 1 . 2]" 1
101 1 13 PRO HA 1 41 ILE MG . . 4.210 3.754 3.379 3.951 . 0 0 "[ . 1 . 2]" 1
102 1 13 PRO QB 1 14 LEU H . . 3.520 2.695 2.527 2.992 . 0 0 "[ . 1 . 2]" 1
103 1 13 PRO QB 1 41 ILE HA . . 3.620 2.966 2.740 3.148 . 0 0 "[ . 1 . 2]" 1
104 1 13 PRO QB 1 41 ILE MG . . 3.210 2.601 2.191 2.840 . 0 0 "[ . 1 . 2]" 1
105 1 13 PRO HB2 1 14 LEU H . . 4.100 2.794 2.599 3.145 . 0 0 "[ . 1 . 2]" 1
106 1 13 PRO HB2 1 41 ILE HA . . 4.380 4.258 4.002 4.374 . 0 0 "[ . 1 . 2]" 1
107 1 13 PRO HB2 1 41 ILE MG . . 3.910 3.713 3.436 3.911 0.001 20 0 "[ . 1 . 2]" 1
108 1 13 PRO HB3 1 14 LEU H . . 4.100 3.551 3.447 3.752 . 0 0 "[ . 1 . 2]" 1
109 1 13 PRO HB3 1 41 ILE HA . . 4.380 3.027 2.790 3.231 . 0 0 "[ . 1 . 2]" 1
110 1 13 PRO HB3 1 41 ILE MG . . 3.910 2.658 2.216 2.918 . 0 0 "[ . 1 . 2]" 1
111 1 13 PRO QG 1 14 LEU H . . 4.870 4.281 4.157 4.485 . 0 0 "[ . 1 . 2]" 1
112 1 13 PRO QG 1 41 ILE MG . . 4.450 4.091 3.787 4.369 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU H 1 14 LEU HB2 . . 3.660 2.668 2.523 2.788 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU H 1 14 LEU HB3 . . 4.080 3.750 3.626 3.839 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU H 1 14 LEU MD1 . . 4.610 4.267 4.123 4.388 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU H 1 14 LEU MD2 . . 4.560 4.254 4.154 4.414 . 0 0 "[ . 1 . 2]" 1
117 1 14 LEU H 1 14 LEU HG . . 4.580 3.602 3.386 3.774 . 0 0 "[ . 1 . 2]" 1
118 1 14 LEU H 1 15 THR H . . 4.650 4.102 3.956 4.425 . 0 0 "[ . 1 . 2]" 1
119 1 14 LEU H 1 39 GLU HA . . 4.600 4.189 3.931 4.467 . 0 0 "[ . 1 . 2]" 1
120 1 14 LEU H 1 40 VAL H . . 3.640 3.060 2.720 3.280 . 0 0 "[ . 1 . 2]" 1
121 1 14 LEU H 1 40 VAL HA . . 5.050 4.513 4.329 4.666 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU H 1 40 VAL HB . . 4.100 2.867 2.646 3.087 . 0 0 "[ . 1 . 2]" 1
123 1 14 LEU H 1 40 VAL MG1 . . 4.930 3.916 3.615 4.129 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU H 1 40 VAL MG2 . . 4.570 4.142 3.999 4.333 . 0 0 "[ . 1 . 2]" 1
125 1 14 LEU H 1 41 ILE HA . . 4.620 3.993 3.802 4.196 . 0 0 "[ . 1 . 2]" 1
126 1 14 LEU HA 1 14 LEU MD1 . . 4.610 3.847 3.800 3.883 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU HA 1 14 LEU MD2 . . 3.260 2.080 1.969 2.340 . 0 0 "[ . 1 . 2]" 1
128 1 14 LEU HA 1 15 THR H . . 2.820 2.158 2.138 2.318 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU HB2 1 14 LEU MD1 . . 3.610 2.236 2.041 2.402 . 0 0 "[ . 1 . 2]" 1
130 1 14 LEU HB2 1 15 THR H . . 4.560 4.391 4.005 4.504 . 0 0 "[ . 1 . 2]" 1
131 1 14 LEU HB2 1 40 VAL H . . 4.690 3.981 3.711 4.352 . 0 0 "[ . 1 . 2]" 1
132 1 14 LEU HB2 1 40 VAL HB . . 3.810 2.362 2.040 2.671 . 0 0 "[ . 1 . 2]" 1
133 1 14 LEU HB2 1 40 VAL MG1 . . 4.420 3.399 2.924 3.709 . 0 0 "[ . 1 . 2]" 1
134 1 14 LEU HB2 1 69 PHE QD . . 5.500 4.391 3.802 5.118 . 0 0 "[ . 1 . 2]" 1
135 1 14 LEU HB2 1 69 PHE QE . . 5.500 3.699 2.974 4.381 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU HB2 1 70 PRO HG3 . . 5.500 5.354 5.086 5.494 . 0 0 "[ . 1 . 2]" 1
137 1 14 LEU HB3 1 14 LEU MD1 . . 3.570 2.446 2.287 2.593 . 0 0 "[ . 1 . 2]" 1
138 1 14 LEU HB3 1 14 LEU MD2 . . 3.480 2.291 2.131 2.352 . 0 0 "[ . 1 . 2]" 1
139 1 14 LEU HB3 1 15 THR H . . 3.900 3.485 2.695 3.691 . 0 0 "[ . 1 . 2]" 1
140 1 14 LEU HB3 1 40 VAL HB . . 3.950 3.607 3.239 3.951 0.001 2 0 "[ . 1 . 2]" 1
141 1 14 LEU HB3 1 69 PHE QD . . 4.880 3.755 3.201 4.392 . 0 0 "[ . 1 . 2]" 1
142 1 14 LEU HB3 1 69 PHE QE . . 5.440 4.052 3.594 4.660 . 0 0 "[ . 1 . 2]" 1
143 1 14 LEU HB3 1 70 PRO HD2 . . 4.340 3.322 3.140 3.639 . 0 0 "[ . 1 . 2]" 1
144 1 14 LEU HB3 1 70 PRO HD3 . . 4.540 3.632 3.375 3.835 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU HB3 1 70 PRO HG2 . . 4.570 4.181 3.964 4.489 . 0 0 "[ . 1 . 2]" 1
146 1 14 LEU HB3 1 70 PRO HG3 . . 4.650 3.655 3.400 3.849 . 0 0 "[ . 1 . 2]" 1
147 1 14 LEU MD1 1 40 VAL HB . . 4.310 3.829 3.515 4.138 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU MD1 1 69 PHE HB3 . . 4.840 4.140 3.762 4.584 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU MD1 1 69 PHE QD . . 3.700 2.578 2.051 2.939 . 0 0 "[ . 1 . 2]" 1
150 1 14 LEU MD1 1 69 PHE QE . . 4.040 2.581 2.165 2.886 . 0 0 "[ . 1 . 2]" 1
151 1 14 LEU MD1 1 70 PRO HD2 . . 4.290 3.627 3.087 4.107 . 0 0 "[ . 1 . 2]" 1
152 1 14 LEU MD1 1 70 PRO HD3 . . 5.070 4.721 4.176 5.068 . 0 0 "[ . 1 . 2]" 1
153 1 14 LEU MD2 1 15 THR H . . 4.160 3.309 2.689 3.563 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU MD2 1 69 PHE QD . . 4.200 3.949 3.468 4.200 0.000 2 0 "[ . 1 . 2]" 1
155 1 14 LEU MD2 1 70 PRO HD2 . . 4.190 3.235 2.742 3.605 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU MD2 1 70 PRO HD3 . . 4.710 3.793 3.312 4.316 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU MD2 1 70 PRO HG2 . . 3.690 2.646 2.204 3.082 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU MD2 1 70 PRO HG3 . . 4.090 2.597 2.020 3.195 . 0 0 "[ . 1 . 2]" 1
159 1 15 THR H 1 15 THR HB . . 3.150 2.728 2.622 2.871 . 0 0 "[ . 1 . 2]" 1
160 1 15 THR H 1 15 THR MG . . 4.090 3.776 3.721 3.902 . 0 0 "[ . 1 . 2]" 1
161 1 15 THR H 1 70 PRO HG2 . . 5.500 5.326 4.604 5.502 0.002 8 0 "[ . 1 . 2]" 1
162 1 15 THR H 1 70 PRO HG3 . . 4.400 3.741 2.973 3.955 . 0 0 "[ . 1 . 2]" 1
163 1 15 THR HA 1 15 THR MG . . 3.300 2.295 2.201 2.366 . 0 0 "[ . 1 . 2]" 1
164 1 15 THR HA 1 16 CYS H . . 2.760 2.153 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
165 1 15 THR HA 1 39 GLU HA . . 3.450 2.284 2.050 2.523 . 0 0 "[ . 1 . 2]" 1
166 1 15 THR HA 1 39 GLU QB . . 4.560 3.954 3.549 4.313 . 0 0 "[ . 1 . 2]" 1
167 1 15 THR HA 1 39 GLU HG2 . . 4.890 4.813 4.619 4.894 0.004 5 0 "[ . 1 . 2]" 1
168 1 15 THR HA 1 39 GLU QG . . 4.200 3.380 3.219 3.592 . 0 0 "[ . 1 . 2]" 1
169 1 15 THR HA 1 39 GLU HG3 . . 4.890 3.454 3.282 3.696 . 0 0 "[ . 1 . 2]" 1
170 1 15 THR HA 1 40 VAL H . . 3.880 3.231 3.023 3.409 . 0 0 "[ . 1 . 2]" 1
171 1 15 THR HB 1 16 CYS H . . 4.250 4.057 3.883 4.240 . 0 0 "[ . 1 . 2]" 1
172 1 15 THR HB 1 37 VAL QG . . 4.050 3.870 3.644 3.971 . 0 0 "[ . 1 . 2]" 1
173 1 15 THR MG 1 16 CYS H . . 3.500 2.676 2.433 2.957 . 0 0 "[ . 1 . 2]" 1
174 1 15 THR MG 1 16 CYS HB3 . . 5.500 5.180 4.977 5.367 . 0 0 "[ . 1 . 2]" 1
175 1 15 THR MG 1 37 VAL HB . . 4.570 4.083 3.945 4.267 . 0 0 "[ . 1 . 2]" 1
176 1 15 THR MG 1 38 LEU H . . 4.400 3.698 3.417 3.895 . 0 0 "[ . 1 . 2]" 1
177 1 15 THR MG 1 39 GLU HA . . 4.270 3.419 3.063 3.614 . 0 0 "[ . 1 . 2]" 1
178 1 15 THR MG 1 39 GLU QB . . 4.940 3.661 3.193 4.023 . 0 0 "[ . 1 . 2]" 1
179 1 15 THR MG 1 39 GLU QG . . 4.070 3.934 3.621 4.072 0.002 5 0 "[ . 1 . 2]" 1
180 1 16 CYS H 1 16 CYS HB2 . . 3.820 3.691 3.571 3.769 . 0 0 "[ . 1 . 2]" 1
181 1 16 CYS H 1 16 CYS HB3 . . 4.110 3.245 3.104 3.500 . 0 0 "[ . 1 . 2]" 1
182 1 16 CYS H 1 16 CYS HG . . 4.000 2.593 1.915 3.686 . 0 0 "[ . 1 . 2]" 1
183 1 16 CYS H 1 17 LYS H . . 4.820 4.471 4.431 4.517 . 0 0 "[ . 1 . 2]" 1
184 1 16 CYS H 1 37 VAL QG . . 3.950 3.485 2.943 3.895 . 0 0 "[ . 1 . 2]" 1
185 1 16 CYS H 1 38 LEU H . . 3.520 3.268 3.040 3.464 . 0 0 "[ . 1 . 2]" 1
186 1 16 CYS H 1 38 LEU MD1 . . 5.170 5.100 4.927 5.173 0.003 19 0 "[ . 1 . 2]" 1
187 1 16 CYS H 1 39 GLU HA . . 3.840 3.318 2.966 3.568 . 0 0 "[ . 1 . 2]" 1
188 1 16 CYS H 1 40 VAL H . . 4.780 3.767 3.360 4.074 . 0 0 "[ . 1 . 2]" 1
189 1 16 CYS HA 1 17 LYS H . . 2.890 2.475 2.282 2.582 . 0 0 "[ . 1 . 2]" 1
190 1 16 CYS HA 1 17 LYS QB . . 4.230 3.951 3.851 4.008 . 0 0 "[ . 1 . 2]" 1
191 1 16 CYS HA 1 37 VAL QG . . 5.170 4.433 3.791 4.891 . 0 0 "[ . 1 . 2]" 1
192 1 16 CYS HB2 1 17 LYS H . . 3.660 2.285 2.070 2.754 . 0 0 "[ . 1 . 2]" 1
193 1 16 CYS HB2 1 38 LEU H . . 4.780 4.746 4.608 4.782 0.002 4 0 "[ . 1 . 2]" 1
194 1 16 CYS HB2 1 38 LEU MD1 . . 5.000 4.712 4.441 4.999 . 0 0 "[ . 1 . 2]" 1
195 1 16 CYS HB2 1 40 VAL MG2 . . 4.270 4.041 3.698 4.254 . 0 0 "[ . 1 . 2]" 1
196 1 16 CYS HB2 1 67 LEU HB2 . . 5.010 4.090 3.378 4.711 . 0 0 "[ . 1 . 2]" 1
197 1 16 CYS HB2 1 67 LEU HB3 . . 3.830 2.436 2.026 2.973 . 0 0 "[ . 1 . 2]" 1
198 1 16 CYS HB2 1 67 LEU MD1 . . 4.750 3.727 3.300 4.145 . 0 0 "[ . 1 . 2]" 1
199 1 16 CYS HB2 1 67 LEU MD2 . . 3.980 2.987 2.543 3.460 . 0 0 "[ . 1 . 2]" 1
200 1 16 CYS HB2 1 68 GLN H . . 4.680 2.559 2.170 2.769 . 0 0 "[ . 1 . 2]" 1
201 1 16 CYS HB2 1 69 PHE HA . . 4.090 3.657 3.310 3.950 . 0 0 "[ . 1 . 2]" 1
202 1 16 CYS HB2 1 69 PHE QD . . 5.070 3.637 2.821 4.717 . 0 0 "[ . 1 . 2]" 1
203 1 16 CYS HB2 1 69 PHE QE . . 5.500 4.248 3.717 5.211 . 0 0 "[ . 1 . 2]" 1
204 1 16 CYS HB3 1 17 LYS H . . 3.790 3.540 3.240 3.785 . 0 0 "[ . 1 . 2]" 1
205 1 16 CYS HB3 1 40 VAL MG2 . . 3.990 3.000 2.595 3.506 . 0 0 "[ . 1 . 2]" 1
206 1 16 CYS HB3 1 67 LEU HB2 . . 5.140 4.600 4.027 5.135 . 0 0 "[ . 1 . 2]" 1
207 1 16 CYS HB3 1 67 LEU HB3 . . 3.760 3.255 2.958 3.569 . 0 0 "[ . 1 . 2]" 1
208 1 16 CYS HB3 1 67 LEU MD1 . . 4.270 3.784 3.383 4.262 . 0 0 "[ . 1 . 2]" 1
209 1 16 CYS HB3 1 67 LEU MD2 . . 4.590 4.037 3.632 4.558 . 0 0 "[ . 1 . 2]" 1
210 1 16 CYS HB3 1 68 GLN H . . 4.220 4.062 3.692 4.224 0.004 20 0 "[ . 1 . 2]" 1
211 1 16 CYS HB3 1 69 PHE HA . . 4.160 2.789 2.324 3.138 . 0 0 "[ . 1 . 2]" 1
212 1 16 CYS HB3 1 69 PHE QD . . 4.900 3.240 2.460 3.884 . 0 0 "[ . 1 . 2]" 1
213 1 16 CYS HB3 1 69 PHE QE . . 5.420 3.703 3.066 4.402 . 0 0 "[ . 1 . 2]" 1
214 1 16 CYS HG 1 67 LEU MD2 . . 3.680 3.316 2.093 3.682 0.002 5 0 "[ . 1 . 2]" 1
215 1 17 LYS H 1 17 LYS QB . . 3.130 2.518 2.360 2.644 . 0 0 "[ . 1 . 2]" 1
216 1 17 LYS H 1 17 LYS QG . . 4.230 4.055 3.955 4.234 0.004 6 0 "[ . 1 . 2]" 1
217 1 17 LYS H 1 18 VAL H . . 5.240 4.138 3.988 4.397 . 0 0 "[ . 1 . 2]" 1
218 1 17 LYS H 1 67 LEU HB3 . . 4.840 4.211 3.687 4.779 . 0 0 "[ . 1 . 2]" 1
219 1 17 LYS H 1 68 GLN H . . 3.730 2.433 2.090 2.712 . 0 0 "[ . 1 . 2]" 1
220 1 17 LYS H 1 68 GLN HB2 . . 4.250 3.893 3.648 4.200 . 0 0 "[ . 1 . 2]" 1
221 1 17 LYS H 1 68 GLN QB . . 3.610 2.469 2.062 2.949 . 0 0 "[ . 1 . 2]" 1
222 1 17 LYS H 1 68 GLN HB3 . . 4.250 2.499 2.073 3.015 . 0 0 "[ . 1 . 2]" 1
223 1 17 LYS HA 1 17 LYS QD . . 3.770 2.734 2.249 3.727 . 0 0 "[ . 1 . 2]" 1
224 1 17 LYS HA 1 17 LYS QG . . 3.820 2.709 2.169 2.973 . 0 0 "[ . 1 . 2]" 1
225 1 17 LYS HA 1 18 VAL H . . 2.850 2.155 2.141 2.181 . 0 0 "[ . 1 . 2]" 1
226 1 17 LYS HA 1 18 VAL HB . . 4.630 4.586 4.504 4.631 0.001 5 0 "[ . 1 . 2]" 1
227 1 17 LYS HA 1 18 VAL MG2 . . 3.920 3.815 3.589 3.920 . 18 0 "[ . 1 . 2]" 1
228 1 17 LYS HA 1 37 VAL MG1 . . 4.360 3.808 3.440 4.357 . 0 0 "[ . 1 . 2]" 1
229 1 17 LYS HA 1 37 VAL QG . . 3.650 3.047 2.820 3.574 . 0 0 "[ . 1 . 2]" 1
230 1 17 LYS HA 1 37 VAL MG2 . . 4.360 3.229 2.885 3.886 . 0 0 "[ . 1 . 2]" 1
231 1 17 LYS HA 1 38 LEU H . . 3.900 3.519 3.144 3.859 . 0 0 "[ . 1 . 2]" 1
232 1 17 LYS QB 1 17 LYS QE . . 4.250 3.210 2.301 3.784 . 0 0 "[ . 1 . 2]" 1
233 1 17 LYS QB 1 18 VAL H . . 3.960 3.875 3.662 3.940 . 0 0 "[ . 1 . 2]" 1
234 1 17 LYS QB 1 19 VAL MG1 . . 4.100 3.484 3.164 3.721 . 0 0 "[ . 1 . 2]" 1
235 1 17 LYS QB 1 19 VAL MG2 . . 4.930 4.673 4.438 4.909 . 0 0 "[ . 1 . 2]" 1
236 1 17 LYS QB 1 37 VAL MG1 . . 4.780 4.035 3.489 4.625 . 0 0 "[ . 1 . 2]" 1
237 1 17 LYS QB 1 37 VAL QG . . 3.930 3.156 2.701 3.723 . 0 0 "[ . 1 . 2]" 1
238 1 17 LYS QB 1 37 VAL MG2 . . 4.780 3.314 2.812 4.037 . 0 0 "[ . 1 . 2]" 1
239 1 17 LYS QB 1 68 GLN H . . 4.300 3.920 3.692 4.290 . 0 0 "[ . 1 . 2]" 1
240 1 17 LYS QB 1 68 GLN HB2 . . 3.790 3.528 3.260 3.757 . 0 0 "[ . 1 . 2]" 1
241 1 17 LYS QB 1 68 GLN QB . . 3.240 2.162 1.976 2.453 . 0 0 "[ . 1 . 2]" 1
242 1 17 LYS QB 1 68 GLN HB3 . . 3.790 2.183 1.991 2.492 . 0 0 "[ . 1 . 2]" 1
243 1 17 LYS QB 1 68 GLN QG . . 4.660 3.540 2.712 4.116 . 0 0 "[ . 1 . 2]" 1
244 1 17 LYS QD 1 18 VAL H . . 4.620 3.562 3.020 4.544 . 0 0 "[ . 1 . 2]" 1
245 1 17 LYS QD 1 19 VAL MG1 . . 4.630 4.265 2.153 4.630 . 0 0 "[ . 1 . 2]" 1
246 1 17 LYS QD 1 35 HIS HA . . 4.520 3.206 2.165 4.161 . 0 0 "[ . 1 . 2]" 1
247 1 17 LYS QD 1 37 VAL QG . . 4.100 2.520 1.933 4.072 . 0 0 "[ . 1 . 2]" 1
248 1 17 LYS QE 1 19 VAL MG1 . . 4.660 4.200 3.081 4.659 . 0 0 "[ . 1 . 2]" 1
249 1 17 LYS QE 1 35 HIS HA . . 4.380 2.967 1.981 4.144 . 0 0 "[ . 1 . 2]" 1
250 1 17 LYS QE 1 35 HIS QB . . 5.030 4.214 3.415 5.031 0.001 19 0 "[ . 1 . 2]" 1
251 1 17 LYS QE 1 37 VAL QG . . 4.110 3.383 2.535 4.111 0.001 15 0 "[ . 1 . 2]" 1
252 1 17 LYS QG 1 18 VAL H . . 4.000 3.158 2.526 3.475 . 0 0 "[ . 1 . 2]" 1
253 1 17 LYS QG 1 35 HIS H . . 4.840 4.065 3.752 4.831 . 0 0 "[ . 1 . 2]" 1
254 1 17 LYS QG 1 35 HIS HA . . 3.970 3.751 3.237 3.967 . 0 0 "[ . 1 . 2]" 1
255 1 17 LYS QG 1 68 GLN QB . . 4.580 3.521 3.149 4.412 . 0 0 "[ . 1 . 2]" 1
256 1 18 VAL H 1 18 VAL HB . . 3.100 2.508 2.444 2.576 . 0 0 "[ . 1 . 2]" 1
257 1 18 VAL H 1 18 VAL MG1 . . 4.090 3.760 3.752 3.765 . 0 0 "[ . 1 . 2]" 1
258 1 18 VAL H 1 18 VAL MG2 . . 3.110 2.240 2.022 2.490 . 0 0 "[ . 1 . 2]" 1
259 1 18 VAL H 1 35 HIS H . . 4.870 4.705 4.406 4.854 . 0 0 "[ . 1 . 2]" 1
260 1 18 VAL H 1 35 HIS HA . . 5.400 5.033 4.476 5.331 . 0 0 "[ . 1 . 2]" 1
261 1 18 VAL H 1 36 GLU H . . 4.090 3.078 2.702 3.368 . 0 0 "[ . 1 . 2]" 1
262 1 18 VAL H 1 37 VAL QG . . 4.750 4.097 3.819 4.515 . 0 0 "[ . 1 . 2]" 1
263 1 18 VAL HA 1 18 VAL MG1 . . 3.270 2.357 2.287 2.439 . 0 0 "[ . 1 . 2]" 1
264 1 18 VAL HA 1 18 VAL MG2 . . 3.220 2.329 2.228 2.441 . 0 0 "[ . 1 . 2]" 1
265 1 18 VAL HA 1 19 VAL H . . 2.880 2.168 2.143 2.196 . 0 0 "[ . 1 . 2]" 1
266 1 18 VAL HA 1 20 TYR H . . 4.050 3.480 3.376 3.680 . 0 0 "[ . 1 . 2]" 1
267 1 18 VAL HA 1 32 ILE MD . . 4.710 3.881 3.683 4.130 . 0 0 "[ . 1 . 2]" 1
268 1 18 VAL HA 1 67 LEU HA . . 3.410 2.791 2.508 3.100 . 0 0 "[ . 1 . 2]" 1
269 1 18 VAL HA 1 67 LEU MD2 . . 3.310 2.870 2.483 3.163 . 0 0 "[ . 1 . 2]" 1
270 1 18 VAL HA 1 68 GLN H . . 4.020 3.653 3.385 3.956 . 0 0 "[ . 1 . 2]" 1
271 1 18 VAL HB 1 19 VAL H . . 4.830 4.411 4.308 4.476 . 0 0 "[ . 1 . 2]" 1
272 1 18 VAL HB 1 32 ILE MD . . 4.320 4.294 4.198 4.321 0.001 11 0 "[ . 1 . 2]" 1
273 1 18 VAL HB 1 33 GLU H . . 4.320 3.896 3.549 4.169 . 0 0 "[ . 1 . 2]" 1
274 1 18 VAL HB 1 34 GLU HA . . 3.890 3.371 3.064 3.538 . 0 0 "[ . 1 . 2]" 1
275 1 18 VAL HB 1 34 GLU QB . . 5.500 5.312 5.009 5.456 . 0 0 "[ . 1 . 2]" 1
276 1 18 VAL HB 1 35 HIS H . . 3.640 3.589 3.381 3.642 0.002 5 0 "[ . 1 . 2]" 1
277 1 18 VAL HB 1 35 HIS HA . . 5.030 4.705 4.376 4.903 . 0 0 "[ . 1 . 2]" 1
278 1 18 VAL HB 1 36 GLU H . . 3.100 2.220 1.923 2.406 . 0 0 "[ . 1 . 2]" 1
279 1 18 VAL HB 1 36 GLU QB . . 3.750 2.273 2.075 2.564 . 0 0 "[ . 1 . 2]" 1
280 1 18 VAL MG1 1 19 VAL H . . 3.490 2.992 2.741 3.216 . 0 0 "[ . 1 . 2]" 1
281 1 18 VAL MG1 1 20 TYR H . . 3.040 2.551 2.308 2.838 . 0 0 "[ . 1 . 2]" 1
282 1 18 VAL MG1 1 21 SER H . . 4.710 3.943 3.627 4.181 . 0 0 "[ . 1 . 2]" 1
283 1 18 VAL MG1 1 21 SER HA . . 3.730 2.832 2.568 3.032 . 0 0 "[ . 1 . 2]" 1
284 1 18 VAL MG1 1 22 TYR H . . 4.370 3.960 3.726 4.224 . 0 0 "[ . 1 . 2]" 1
285 1 18 VAL MG1 1 32 ILE HB . . 3.380 2.355 2.133 2.802 . 0 0 "[ . 1 . 2]" 1
286 1 18 VAL MG1 1 32 ILE MD . . 2.790 2.148 1.966 2.289 . 0 0 "[ . 1 . 2]" 1
287 1 18 VAL MG1 1 32 ILE HG12 . . 4.100 3.913 3.686 4.095 . 0 0 "[ . 1 . 2]" 1
288 1 18 VAL MG1 1 32 ILE HG13 . . 3.520 2.683 2.283 2.955 . 0 0 "[ . 1 . 2]" 1
289 1 18 VAL MG1 1 33 GLU H . . 4.100 2.903 2.633 3.223 . 0 0 "[ . 1 . 2]" 1
290 1 18 VAL MG1 1 34 GLU H . . 4.250 3.221 3.088 3.482 . 0 0 "[ . 1 . 2]" 1
291 1 18 VAL MG1 1 34 GLU HA . . 3.120 2.247 2.022 2.548 . 0 0 "[ . 1 . 2]" 1
292 1 18 VAL MG1 1 34 GLU QB . . 4.220 3.792 3.642 3.968 . 0 0 "[ . 1 . 2]" 1
293 1 18 VAL MG1 1 35 HIS H . . 3.870 3.653 3.321 3.866 . 0 0 "[ . 1 . 2]" 1
294 1 18 VAL MG1 1 36 GLU H . . 4.050 3.596 3.135 3.824 . 0 0 "[ . 1 . 2]" 1
295 1 18 VAL MG1 1 36 GLU HB2 . . 4.890 4.151 3.647 4.477 . 0 0 "[ . 1 . 2]" 1
296 1 18 VAL MG1 1 36 GLU QB . . 4.220 3.123 2.852 3.360 . 0 0 "[ . 1 . 2]" 1
297 1 18 VAL MG1 1 36 GLU HB3 . . 4.890 3.232 2.962 3.472 . 0 0 "[ . 1 . 2]" 1
298 1 18 VAL MG1 1 66 TYR HB2 . . 5.100 4.782 4.288 5.096 . 0 0 "[ . 1 . 2]" 1
299 1 18 VAL MG1 1 66 TYR HB3 . . 4.180 3.652 3.354 3.853 . 0 0 "[ . 1 . 2]" 1
300 1 18 VAL MG1 1 67 LEU HA . . 5.360 4.242 3.970 4.500 . 0 0 "[ . 1 . 2]" 1
301 1 18 VAL MG2 1 19 VAL H . . 4.370 4.148 4.070 4.224 . 0 0 "[ . 1 . 2]" 1
302 1 18 VAL MG2 1 32 ILE HA . . 4.290 4.010 3.763 4.254 . 0 0 "[ . 1 . 2]" 1
303 1 18 VAL MG2 1 32 ILE HB . . 2.990 2.150 1.985 2.416 . 0 0 "[ . 1 . 2]" 1
304 1 18 VAL MG2 1 32 ILE HG13 . . 4.040 3.754 3.290 4.004 . 0 0 "[ . 1 . 2]" 1
305 1 18 VAL MG2 1 33 GLU H . . 3.820 3.255 2.881 3.689 . 0 0 "[ . 1 . 2]" 1
306 1 18 VAL MG2 1 34 GLU HA . . 4.910 4.645 4.342 4.781 . 0 0 "[ . 1 . 2]" 1
307 1 18 VAL MG2 1 35 HIS H . . 5.300 5.034 4.877 5.091 . 0 0 "[ . 1 . 2]" 1
308 1 18 VAL MG2 1 36 GLU H . . 3.880 3.531 3.248 3.657 . 0 0 "[ . 1 . 2]" 1
309 1 18 VAL MG2 1 36 GLU HA . . 4.630 4.462 4.265 4.616 . 0 0 "[ . 1 . 2]" 1
310 1 18 VAL MG2 1 36 GLU QB . . 3.920 2.244 1.978 2.550 . 0 0 "[ . 1 . 2]" 1
311 1 18 VAL MG2 1 36 GLU QG . . 3.870 2.950 2.477 3.373 . 0 0 "[ . 1 . 2]" 1
312 1 18 VAL MG2 1 38 LEU HB2 . . 4.360 3.870 3.546 4.107 . 0 0 "[ . 1 . 2]" 1
313 1 18 VAL MG2 1 38 LEU HB3 . . 5.500 4.683 4.465 4.805 . 0 0 "[ . 1 . 2]" 1
314 1 18 VAL MG2 1 38 LEU HG . . 3.250 2.557 2.314 2.715 . 0 0 "[ . 1 . 2]" 1
315 1 18 VAL MG2 1 67 LEU HA . . 4.730 3.597 3.331 3.915 . 0 0 "[ . 1 . 2]" 1
316 1 18 VAL MG2 1 67 LEU MD2 . . 2.770 2.107 1.878 2.451 . 0 0 "[ . 1 . 2]" 1
317 1 19 VAL H 1 19 VAL HB . . 3.630 3.590 3.567 3.618 . 0 0 "[ . 1 . 2]" 1
318 1 19 VAL H 1 19 VAL MG1 . . 3.720 2.941 2.766 3.122 . 0 0 "[ . 1 . 2]" 1
319 1 19 VAL H 1 19 VAL MG2 . . 3.070 1.915 1.859 1.962 . 0 0 "[ . 1 . 2]" 1
320 1 19 VAL H 1 20 TYR H . . 3.020 2.225 2.065 2.339 . 0 0 "[ . 1 . 2]" 1
321 1 19 VAL H 1 20 TYR HB2 . . 5.220 4.440 4.249 4.714 . 0 0 "[ . 1 . 2]" 1
322 1 19 VAL H 1 66 TYR HB3 . . 4.770 4.580 4.239 4.763 . 0 0 "[ . 1 . 2]" 1
323 1 19 VAL H 1 67 LEU HA . . 3.750 3.505 3.057 3.744 . 0 0 "[ . 1 . 2]" 1
324 1 19 VAL H 1 67 LEU MD2 . . 4.790 4.365 4.024 4.630 . 0 0 "[ . 1 . 2]" 1
325 1 19 VAL HA 1 19 VAL MG1 . . 3.110 2.136 2.062 2.251 . 0 0 "[ . 1 . 2]" 1
326 1 19 VAL HA 1 19 VAL MG2 . . 3.190 3.172 3.165 3.181 . 0 0 "[ . 1 . 2]" 1
327 1 19 VAL HA 1 34 GLU HA . . 4.500 3.721 3.403 4.320 . 0 0 "[ . 1 . 2]" 1
328 1 19 VAL HA 1 34 GLU HG2 . . 4.940 4.053 3.660 4.671 . 0 0 "[ . 1 . 2]" 1
329 1 19 VAL HA 1 34 GLU HG3 . . 4.050 2.825 2.382 3.481 . 0 0 "[ . 1 . 2]" 1
330 1 19 VAL HA 1 35 HIS H . . 4.430 3.477 3.089 3.779 . 0 0 "[ . 1 . 2]" 1
331 1 19 VAL HB 1 20 TYR H . . 3.830 3.738 3.534 3.830 0.000 14 0 "[ . 1 . 2]" 1
332 1 19 VAL HB 1 20 TYR QD . . 4.360 2.777 2.396 3.478 . 0 0 "[ . 1 . 2]" 1
333 1 19 VAL HB 1 20 TYR QE . . 5.040 3.271 2.571 3.623 . 0 0 "[ . 1 . 2]" 1
334 1 19 VAL MG1 1 20 TYR H . . 4.280 4.198 4.157 4.240 . 0 0 "[ . 1 . 2]" 1
335 1 19 VAL MG1 1 20 TYR QD . . 4.390 4.088 3.871 4.337 . 0 0 "[ . 1 . 2]" 1
336 1 19 VAL MG1 1 20 TYR QE . . 4.510 4.333 3.820 4.470 . 0 0 "[ . 1 . 2]" 1
337 1 19 VAL MG1 1 68 GLN HB2 . . 3.780 2.265 1.980 2.601 . 0 0 "[ . 1 . 2]" 1
338 1 19 VAL MG1 1 68 GLN QB . . 3.300 2.217 1.951 2.537 . 0 0 "[ . 1 . 2]" 1
339 1 19 VAL MG1 1 68 GLN HB3 . . 3.780 3.164 2.781 3.519 . 0 0 "[ . 1 . 2]" 1
340 1 19 VAL MG1 1 68 GLN HG2 . . 4.690 3.713 2.654 4.488 . 0 0 "[ . 1 . 2]" 1
341 1 19 VAL MG1 1 68 GLN QG . . 4.090 3.047 2.614 3.599 . 0 0 "[ . 1 . 2]" 1
342 1 19 VAL MG1 1 68 GLN HG3 . . 4.690 3.590 2.653 4.512 . 0 0 "[ . 1 . 2]" 1
343 1 19 VAL MG2 1 20 TYR H . . 3.730 2.177 2.049 2.329 . 0 0 "[ . 1 . 2]" 1
344 1 19 VAL MG2 1 20 TYR HB2 . . 4.060 3.155 3.026 3.661 . 0 0 "[ . 1 . 2]" 1
345 1 19 VAL MG2 1 20 TYR HB3 . . 4.540 4.498 4.415 4.535 . 0 0 "[ . 1 . 2]" 1
346 1 19 VAL MG2 1 20 TYR QD . . 4.050 2.026 1.848 2.950 . 0 0 "[ . 1 . 2]" 1
347 1 19 VAL MG2 1 20 TYR QE . . 4.680 2.978 2.396 3.444 . 0 0 "[ . 1 . 2]" 1
348 1 19 VAL MG2 1 66 TYR HA . . 4.600 3.390 2.963 3.613 . 0 0 "[ . 1 . 2]" 1
349 1 19 VAL MG2 1 66 TYR HB3 . . 4.680 4.096 3.488 4.454 . 0 0 "[ . 1 . 2]" 1
350 1 19 VAL MG2 1 67 LEU H . . 5.090 4.650 4.015 4.851 . 0 0 "[ . 1 . 2]" 1
351 1 19 VAL MG2 1 67 LEU HA . . 4.160 3.679 3.332 3.947 . 0 0 "[ . 1 . 2]" 1
352 1 19 VAL MG2 1 68 GLN H . . 3.870 3.684 3.539 3.856 . 0 0 "[ . 1 . 2]" 1
353 1 19 VAL MG2 1 68 GLN HB2 . . 3.930 2.243 2.005 2.510 . 0 0 "[ . 1 . 2]" 1
354 1 19 VAL MG2 1 68 GLN QB . . 3.270 2.224 1.992 2.479 . 0 0 "[ . 1 . 2]" 1
355 1 19 VAL MG2 1 68 GLN HB3 . . 3.930 3.689 3.455 3.927 . 0 0 "[ . 1 . 2]" 1
356 1 19 VAL MG2 1 68 GLN QE . . 5.340 4.398 3.392 5.193 . 0 0 "[ . 1 . 2]" 1
357 1 19 VAL MG2 1 68 GLN QG . . 4.160 3.708 3.298 4.131 . 0 0 "[ . 1 . 2]" 1
358 1 20 TYR H 1 20 TYR HB2 . . 3.640 2.542 2.431 2.756 . 0 0 "[ . 1 . 2]" 1
359 1 20 TYR H 1 20 TYR HB3 . . 3.930 3.698 3.624 3.786 . 0 0 "[ . 1 . 2]" 1
360 1 20 TYR H 1 20 TYR QD . . 4.340 2.970 2.777 3.301 . 0 0 "[ . 1 . 2]" 1
361 1 20 TYR H 1 21 SER H . . 4.540 4.230 4.046 4.356 . 0 0 "[ . 1 . 2]" 1
362 1 20 TYR H 1 32 ILE MD . . 4.660 4.391 4.145 4.651 . 0 0 "[ . 1 . 2]" 1
363 1 20 TYR H 1 34 GLU HA . . 4.600 4.319 4.093 4.600 . 0 0 "[ . 1 . 2]" 1
364 1 20 TYR H 1 66 TYR HA . . 4.420 4.106 3.492 4.413 . 0 0 "[ . 1 . 2]" 1
365 1 20 TYR H 1 66 TYR HB2 . . 5.380 5.146 4.696 5.382 0.002 20 0 "[ . 1 . 2]" 1
366 1 20 TYR H 1 66 TYR HB3 . . 3.970 3.477 3.022 3.716 . 0 0 "[ . 1 . 2]" 1
367 1 20 TYR HA 1 20 TYR QD . . 3.690 2.928 2.182 3.091 . 0 0 "[ . 1 . 2]" 1
368 1 20 TYR HA 1 21 SER H . . 2.760 2.144 2.137 2.168 . 0 0 "[ . 1 . 2]" 1
369 1 20 TYR HA 1 34 GLU QB . . 4.070 3.863 3.574 4.056 . 0 0 "[ . 1 . 2]" 1
370 1 20 TYR HA 1 34 GLU HG3 . . 4.510 4.090 3.522 4.476 . 0 0 "[ . 1 . 2]" 1
371 1 20 TYR HB2 1 21 SER H . . 4.550 4.398 4.159 4.540 . 0 0 "[ . 1 . 2]" 1
372 1 20 TYR HB2 1 66 TYR HB2 . . 4.660 4.347 3.654 4.633 . 0 0 "[ . 1 . 2]" 1
373 1 20 TYR HB2 1 66 TYR HB3 . . 4.480 2.857 2.072 3.227 . 0 0 "[ . 1 . 2]" 1
374 1 20 TYR HB2 1 66 TYR QD . . 4.330 2.620 1.996 3.554 . 0 0 "[ . 1 . 2]" 1
375 1 20 TYR HB2 1 66 TYR QE . . 4.960 4.033 3.507 4.640 . 0 0 "[ . 1 . 2]" 1
376 1 20 TYR HB3 1 21 SER H . . 3.870 3.523 3.338 3.811 . 0 0 "[ . 1 . 2]" 1
377 1 20 TYR HB3 1 66 TYR HB3 . . 4.310 4.013 3.541 4.294 . 0 0 "[ . 1 . 2]" 1
378 1 20 TYR HB3 1 66 TYR QD . . 4.390 2.919 2.041 4.148 . 0 0 "[ . 1 . 2]" 1
379 1 20 TYR HB3 1 66 TYR QE . . 4.870 3.341 2.327 4.691 . 0 0 "[ . 1 . 2]" 1
380 1 20 TYR QD 1 21 SER H . . 4.610 4.339 4.057 4.601 . 0 0 "[ . 1 . 2]" 1
381 1 21 SER H 1 21 SER HB2 . . 3.700 3.354 2.461 3.597 . 0 0 "[ . 1 . 2]" 1
382 1 21 SER H 1 21 SER QB . . 3.060 2.351 2.160 2.542 . 0 0 "[ . 1 . 2]" 1
383 1 21 SER H 1 21 SER HB3 . . 3.700 2.466 2.221 3.597 . 0 0 "[ . 1 . 2]" 1
384 1 21 SER H 1 34 GLU QB . . 3.890 3.010 2.650 3.234 . 0 0 "[ . 1 . 2]" 1
385 1 21 SER H 1 34 GLU HG3 . . 4.750 4.450 3.958 4.750 0.000 9 0 "[ . 1 . 2]" 1
386 1 21 SER HA 1 22 TYR H . . 2.850 2.275 2.151 2.372 . 0 0 "[ . 1 . 2]" 1
387 1 21 SER HA 1 32 ILE H . . 5.500 5.440 5.256 5.503 0.003 4 0 "[ . 1 . 2]" 1
388 1 21 SER HA 1 32 ILE MD . . 4.200 3.764 3.370 4.030 . 0 0 "[ . 1 . 2]" 1
389 1 21 SER HA 1 32 ILE HG12 . . 4.880 4.646 4.413 4.838 . 0 0 "[ . 1 . 2]" 1
390 1 21 SER HA 1 32 ILE HG13 . . 3.570 2.999 2.793 3.200 . 0 0 "[ . 1 . 2]" 1
391 1 21 SER HA 1 33 GLU QG . . 5.340 3.954 3.759 4.505 . 0 0 "[ . 1 . 2]" 1
392 1 21 SER HA 1 34 GLU H . . 3.710 2.753 2.572 2.938 . 0 0 "[ . 1 . 2]" 1
393 1 21 SER HA 1 34 GLU HA . . 4.170 4.068 3.782 4.173 0.003 16 0 "[ . 1 . 2]" 1
394 1 21 SER HA 1 34 GLU QB . . 4.450 3.973 3.755 4.145 . 0 0 "[ . 1 . 2]" 1
395 1 21 SER QB 1 22 TYR H . . 3.500 2.909 2.533 3.500 0.000 11 0 "[ . 1 . 2]" 1
396 1 21 SER QB 1 33 GLU HB2 . . 5.190 4.766 4.404 5.093 . 0 0 "[ . 1 . 2]" 1
397 1 21 SER QB 1 33 GLU QG . . 4.910 2.739 2.275 3.354 . 0 0 "[ . 1 . 2]" 1
398 1 21 SER QB 1 34 GLU H . . 3.850 2.097 1.886 3.029 . 0 0 "[ . 1 . 2]" 1
399 1 21 SER HB2 1 22 TYR H . . 4.250 3.075 2.565 3.920 . 0 0 "[ . 1 . 2]" 1
400 1 21 SER HB2 1 34 GLU H . . 4.530 2.840 1.947 3.879 . 0 0 "[ . 1 . 2]" 1
401 1 21 SER HB2 1 34 GLU QB . . 4.710 3.975 2.937 4.550 . 0 0 "[ . 1 . 2]" 1
402 1 21 SER HB3 1 22 TYR H . . 4.250 3.971 2.892 4.214 . 0 0 "[ . 1 . 2]" 1
403 1 21 SER HB3 1 34 GLU H . . 4.530 2.476 1.905 3.696 . 0 0 "[ . 1 . 2]" 1
404 1 21 SER HB3 1 34 GLU QB . . 4.710 3.050 2.418 4.334 . 0 0 "[ . 1 . 2]" 1
405 1 22 TYR H 1 22 TYR HB2 . . 3.920 3.426 3.265 3.587 . 0 0 "[ . 1 . 2]" 1
406 1 22 TYR H 1 22 TYR HB3 . . 3.670 2.879 2.625 3.035 . 0 0 "[ . 1 . 2]" 1
407 1 22 TYR H 1 22 TYR QD . . 4.610 4.339 4.122 4.449 . 0 0 "[ . 1 . 2]" 1
408 1 22 TYR H 1 23 LYS H . . 4.530 3.993 3.774 4.124 . 0 0 "[ . 1 . 2]" 1
409 1 22 TYR H 1 31 THR MG . . 5.010 4.657 4.336 5.010 . 0 0 "[ . 1 . 2]" 1
410 1 22 TYR H 1 32 ILE H . . 4.100 3.701 3.532 3.810 . 0 0 "[ . 1 . 2]" 1
411 1 22 TYR H 1 32 ILE MD . . 4.050 3.581 3.046 3.853 . 0 0 "[ . 1 . 2]" 1
412 1 22 TYR H 1 32 ILE HG12 . . 3.580 3.280 2.930 3.520 . 0 0 "[ . 1 . 2]" 1
413 1 22 TYR H 1 32 ILE HG13 . . 3.320 2.276 1.909 2.531 . 0 0 "[ . 1 . 2]" 1
414 1 22 TYR H 1 33 GLU H . . 4.750 4.587 4.455 4.736 . 0 0 "[ . 1 . 2]" 1
415 1 22 TYR H 1 33 GLU QG . . 5.010 3.778 3.520 4.432 . 0 0 "[ . 1 . 2]" 1
416 1 22 TYR HA 1 22 TYR QD . . 3.500 2.820 2.473 3.196 . 0 0 "[ . 1 . 2]" 1
417 1 22 TYR HA 1 23 LYS H . . 2.720 2.140 2.137 2.149 . 0 0 "[ . 1 . 2]" 1
418 1 22 TYR HA 1 23 LYS QB . . 4.400 4.113 4.044 4.227 . 0 0 "[ . 1 . 2]" 1
419 1 22 TYR HB2 1 23 LYS H . . 4.550 4.300 4.150 4.385 . 0 0 "[ . 1 . 2]" 1
420 1 22 TYR HB2 1 32 ILE H . . 5.470 5.261 5.059 5.471 0.001 4 0 "[ . 1 . 2]" 1
421 1 22 TYR HB2 1 32 ILE MD . . 3.860 2.986 2.568 3.454 . 0 0 "[ . 1 . 2]" 1
422 1 22 TYR HB2 1 32 ILE HG12 . . 3.980 3.768 3.645 3.952 . 0 0 "[ . 1 . 2]" 1
423 1 22 TYR HB2 1 32 ILE HG13 . . 4.260 3.736 3.411 4.141 . 0 0 "[ . 1 . 2]" 1
424 1 22 TYR HB2 1 66 TYR QD . . 4.040 2.713 2.047 3.334 . 0 0 "[ . 1 . 2]" 1
425 1 22 TYR HB2 1 66 TYR QE . . 4.020 3.168 2.119 4.014 . 0 0 "[ . 1 . 2]" 1
426 1 22 TYR HB3 1 23 LYS H . . 4.760 4.359 4.207 4.476 . 0 0 "[ . 1 . 2]" 1
427 1 22 TYR HB3 1 32 ILE H . . 4.180 3.607 3.392 3.818 . 0 0 "[ . 1 . 2]" 1
428 1 22 TYR HB3 1 32 ILE MD . . 3.500 2.325 2.049 2.621 . 0 0 "[ . 1 . 2]" 1
429 1 22 TYR HB3 1 32 ILE HG12 . . 3.610 2.077 2.005 2.197 . 0 0 "[ . 1 . 2]" 1
430 1 22 TYR HB3 1 32 ILE HG13 . . 3.760 2.541 2.249 2.809 . 0 0 "[ . 1 . 2]" 1
431 1 22 TYR HB3 1 66 TYR QD . . 4.610 3.823 2.689 4.541 . 0 0 "[ . 1 . 2]" 1
432 1 22 TYR QD 1 23 LYS H . . 3.840 3.675 3.330 3.839 . 0 0 "[ . 1 . 2]" 1
433 1 22 TYR QD 1 24 ALA HA . . 4.350 3.756 3.303 4.161 . 0 0 "[ . 1 . 2]" 1
434 1 22 TYR QD 1 24 ALA MB . . 4.900 3.884 3.482 4.255 . 0 0 "[ . 1 . 2]" 1
435 1 22 TYR QD 1 31 THR HA . . 4.660 3.881 3.209 4.370 . 0 0 "[ . 1 . 2]" 1
436 1 22 TYR QD 1 32 ILE H . . 4.780 3.429 2.685 4.016 . 0 0 "[ . 1 . 2]" 1
437 1 22 TYR QD 1 32 ILE MD . . 4.240 3.395 2.801 3.732 . 0 0 "[ . 1 . 2]" 1
438 1 22 TYR QD 1 32 ILE HG12 . . 4.350 2.801 2.224 3.268 . 0 0 "[ . 1 . 2]" 1
439 1 22 TYR QD 1 32 ILE HG13 . . 4.880 4.147 3.668 4.579 . 0 0 "[ . 1 . 2]" 1
440 1 22 TYR QD 1 62 VAL MG1 . . 4.310 3.483 3.019 3.968 . 0 0 "[ . 1 . 2]" 1
441 1 22 TYR QD 1 63 PRO HD2 . . 4.400 3.644 3.040 4.210 . 0 0 "[ . 1 . 2]" 1
442 1 22 TYR QD 1 63 PRO QD . . 3.870 3.392 2.906 3.821 . 0 0 "[ . 1 . 2]" 1
443 1 22 TYR QD 1 63 PRO HD3 . . 4.400 4.057 3.693 4.388 . 0 0 "[ . 1 . 2]" 1
444 1 22 TYR QD 1 63 PRO HG2 . . 4.680 4.332 3.905 4.605 . 0 0 "[ . 1 . 2]" 1
445 1 22 TYR QD 1 63 PRO HG3 . . 5.040 3.738 3.183 4.097 . 0 0 "[ . 1 . 2]" 1
446 1 22 TYR QD 1 66 TYR QE . . 3.850 2.982 2.123 3.745 . 0 0 "[ . 1 . 2]" 1
447 1 22 TYR QE 1 23 LYS H . . 4.910 4.789 4.632 4.900 . 0 0 "[ . 1 . 2]" 1
448 1 22 TYR QE 1 24 ALA HA . . 3.490 2.698 2.056 3.018 . 0 0 "[ . 1 . 2]" 1
449 1 22 TYR QE 1 24 ALA MB . . 4.200 3.544 2.554 4.078 . 0 0 "[ . 1 . 2]" 1
450 1 22 TYR QE 1 25 SER H . . 4.090 3.843 3.355 4.076 . 0 0 "[ . 1 . 2]" 1
451 1 22 TYR QE 1 29 GLU HB2 . . 4.680 4.403 4.017 4.676 . 0 0 "[ . 1 . 2]" 1
452 1 22 TYR QE 1 29 GLU HB3 . . 3.760 3.219 2.660 3.692 . 0 0 "[ . 1 . 2]" 1
453 1 22 TYR QE 1 29 GLU QG . . 5.340 3.294 2.734 4.212 . 0 0 "[ . 1 . 2]" 1
454 1 22 TYR QE 1 30 LEU H . . 5.110 4.231 3.461 4.943 . 0 0 "[ . 1 . 2]" 1
455 1 22 TYR QE 1 32 ILE MD . . 5.230 5.010 4.504 5.197 . 0 0 "[ . 1 . 2]" 1
456 1 22 TYR QE 1 49 TRP HZ3 . . 4.790 3.269 2.672 3.980 . 0 0 "[ . 1 . 2]" 1
457 1 22 TYR QE 1 62 VAL HA . . 5.000 4.151 3.341 4.969 . 0 0 "[ . 1 . 2]" 1
458 1 22 TYR QE 1 63 PRO HD2 . . 4.890 4.174 3.605 4.622 . 0 0 "[ . 1 . 2]" 1
459 1 22 TYR QE 1 63 PRO QD . . 4.310 3.424 3.013 3.815 . 0 0 "[ . 1 . 2]" 1
460 1 22 TYR QE 1 63 PRO HD3 . . 4.890 3.641 3.220 4.064 . 0 0 "[ . 1 . 2]" 1
461 1 22 TYR QE 1 63 PRO HG2 . . 5.230 5.044 4.587 5.231 0.001 19 0 "[ . 1 . 2]" 1
462 1 23 LYS H 1 23 LYS QB . . 3.070 2.238 2.164 2.288 . 0 0 "[ . 1 . 2]" 1
463 1 23 LYS H 1 23 LYS HG2 . . 4.540 4.163 3.015 4.546 0.006 10 0 "[ . 1 . 2]" 1
464 1 23 LYS H 1 23 LYS QG . . 3.970 3.694 2.922 3.970 0.000 14 0 "[ . 1 . 2]" 1
465 1 23 LYS H 1 23 LYS HG3 . . 4.540 4.225 3.755 4.539 . 0 0 "[ . 1 . 2]" 1
466 1 23 LYS H 1 24 ALA H . . 4.660 4.395 4.221 4.544 . 0 0 "[ . 1 . 2]" 1
467 1 23 LYS HA 1 23 LYS QD . . 4.220 3.012 2.009 4.128 . 0 0 "[ . 1 . 2]" 1
468 1 23 LYS HA 1 23 LYS QG . . 3.200 2.482 2.159 2.876 . 0 0 "[ . 1 . 2]" 1
469 1 23 LYS HA 1 24 ALA H . . 2.840 2.154 2.141 2.198 . 0 0 "[ . 1 . 2]" 1
470 1 23 LYS HA 1 24 ALA MB . . 4.170 3.999 3.961 4.014 . 0 0 "[ . 1 . 2]" 1
471 1 23 LYS HA 1 31 THR HA . . 3.750 3.532 3.149 3.745 . 0 0 "[ . 1 . 2]" 1
472 1 23 LYS HA 1 31 THR MG . . 3.080 2.444 2.019 2.884 . 0 0 "[ . 1 . 2]" 1
473 1 23 LYS HA 1 32 ILE H . . 4.330 3.963 3.610 4.276 . 0 0 "[ . 1 . 2]" 1
474 1 23 LYS QB 1 23 LYS QE . . 4.480 2.871 2.036 3.760 . 0 0 "[ . 1 . 2]" 1
475 1 23 LYS QB 1 24 ALA H . . 4.060 3.685 3.165 3.978 . 0 0 "[ . 1 . 2]" 1
476 1 23 LYS QD 1 24 ALA H . . 5.310 4.050 2.910 5.189 . 0 0 "[ . 1 . 2]" 1
477 1 23 LYS QE 1 23 LYS HG2 . . 3.850 2.669 2.124 3.493 . 0 0 "[ . 1 . 2]" 1
478 1 23 LYS QE 1 23 LYS QG . . 3.330 2.247 2.100 2.622 . 0 0 "[ . 1 . 2]" 1
479 1 23 LYS QE 1 23 LYS HG3 . . 3.850 2.713 2.134 3.493 . 0 0 "[ . 1 . 2]" 1
480 1 23 LYS QE 1 31 THR MG . . 5.030 4.170 2.872 5.020 . 0 0 "[ . 1 . 2]" 1
481 1 23 LYS QG 1 24 ALA H . . 4.470 3.540 2.991 4.384 . 0 0 "[ . 1 . 2]" 1
482 1 23 LYS HG2 1 24 ALA H . . 5.270 4.302 3.089 5.150 . 0 0 "[ . 1 . 2]" 1
483 1 23 LYS HG3 1 24 ALA H . . 5.270 4.129 3.046 5.269 . 0 0 "[ . 1 . 2]" 1
484 1 24 ALA H 1 24 ALA MB . . 3.000 2.220 2.105 2.273 . 0 0 "[ . 1 . 2]" 1
485 1 24 ALA H 1 25 SER H . . 4.950 4.528 4.319 4.621 . 0 0 "[ . 1 . 2]" 1
486 1 24 ALA H 1 31 THR H . . 4.690 4.444 4.212 4.690 . 2 0 "[ . 1 . 2]" 1
487 1 24 ALA H 1 31 THR HA . . 3.350 2.358 2.165 2.774 . 0 0 "[ . 1 . 2]" 1
488 1 24 ALA H 1 31 THR HB . . 4.650 4.377 3.828 4.568 . 0 0 "[ . 1 . 2]" 1
489 1 24 ALA H 1 31 THR MG . . 3.390 2.480 2.139 2.907 . 0 0 "[ . 1 . 2]" 1
490 1 24 ALA H 1 32 ILE H . . 4.460 3.816 3.435 4.187 . 0 0 "[ . 1 . 2]" 1
491 1 24 ALA HA 1 25 SER H . . 2.870 2.164 2.142 2.237 . 0 0 "[ . 1 . 2]" 1
492 1 24 ALA HA 1 26 GLN H . . 3.880 3.753 3.489 3.872 . 0 0 "[ . 1 . 2]" 1
493 1 24 ALA HA 1 29 GLU HB2 . . 3.990 3.575 3.388 3.773 . 0 0 "[ . 1 . 2]" 1
494 1 24 ALA HA 1 29 GLU HB3 . . 3.920 3.139 2.895 3.505 . 0 0 "[ . 1 . 2]" 1
495 1 24 ALA HA 1 32 ILE H . . 5.500 5.404 5.221 5.492 . 0 0 "[ . 1 . 2]" 1
496 1 24 ALA MB 1 25 SER H . . 3.650 3.095 2.830 3.457 . 0 0 "[ . 1 . 2]" 1
497 1 24 ALA MB 1 25 SER HA . . 4.520 4.247 4.087 4.448 . 0 0 "[ . 1 . 2]" 1
498 1 24 ALA MB 1 26 GLN H . . 3.630 3.381 2.971 3.583 . 0 0 "[ . 1 . 2]" 1
499 1 24 ALA MB 1 29 GLU H . . 3.940 3.740 3.553 3.839 . 0 0 "[ . 1 . 2]" 1
500 1 24 ALA MB 1 29 GLU HA . . 4.650 4.142 3.943 4.312 . 0 0 "[ . 1 . 2]" 1
501 1 24 ALA MB 1 29 GLU HB2 . . 3.130 2.228 1.998 2.487 . 0 0 "[ . 1 . 2]" 1
502 1 24 ALA MB 1 29 GLU HB3 . . 3.520 2.222 1.953 2.596 . 0 0 "[ . 1 . 2]" 1
503 1 24 ALA MB 1 30 LEU H . . 3.740 3.220 2.823 3.652 . 0 0 "[ . 1 . 2]" 1
504 1 24 ALA MB 1 30 LEU HA . . 4.000 3.438 3.078 3.652 . 0 0 "[ . 1 . 2]" 1
505 1 24 ALA MB 1 31 THR H . . 3.460 2.743 2.529 2.965 . 0 0 "[ . 1 . 2]" 1
506 1 24 ALA MB 1 31 THR HA . . 3.440 2.287 2.069 2.423 . 0 0 "[ . 1 . 2]" 1
507 1 25 SER H 1 25 SER HB2 . . 3.990 2.805 2.309 3.781 . 0 0 "[ . 1 . 2]" 1
508 1 25 SER H 1 25 SER QB . . 3.480 2.450 2.257 2.910 . 0 0 "[ . 1 . 2]" 1
509 1 25 SER H 1 25 SER HB3 . . 3.990 3.164 2.373 3.680 . 0 0 "[ . 1 . 2]" 1
510 1 25 SER H 1 26 GLN H . . 3.000 2.159 1.893 2.481 . 0 0 "[ . 1 . 2]" 1
511 1 25 SER H 1 29 GLU HB2 . . 4.280 3.562 3.225 4.015 . 0 0 "[ . 1 . 2]" 1
512 1 25 SER H 1 29 GLU HB3 . . 4.410 4.023 3.638 4.409 . 0 0 "[ . 1 . 2]" 1
513 1 25 SER H 1 29 GLU QG . . 4.690 3.766 3.093 4.478 . 0 0 "[ . 1 . 2]" 1
514 1 25 SER QB 1 26 GLN H . . 4.110 3.015 2.647 3.994 . 0 0 "[ . 1 . 2]" 1
515 1 25 SER QB 1 26 GLN QG . . 4.250 3.460 3.005 3.953 . 0 0 "[ . 1 . 2]" 1
516 1 25 SER HB2 1 26 GLN H . . 4.710 3.470 2.756 4.438 . 0 0 "[ . 1 . 2]" 1
517 1 25 SER HB2 1 26 GLN QG . . 5.110 4.070 3.116 5.093 . 0 0 "[ . 1 . 2]" 1
518 1 25 SER HB3 1 26 GLN H . . 4.710 3.589 2.687 4.532 . 0 0 "[ . 1 . 2]" 1
519 1 25 SER HB3 1 26 GLN QG . . 5.110 3.995 3.152 4.941 . 0 0 "[ . 1 . 2]" 1
520 1 26 GLN H 1 26 GLN HB2 . . 3.650 2.355 2.241 2.663 . 0 0 "[ . 1 . 2]" 1
521 1 26 GLN H 1 26 GLN QG . . 3.480 3.024 2.733 3.356 . 0 0 "[ . 1 . 2]" 1
522 1 26 GLN H 1 27 PRO QD . . 4.430 4.374 4.337 4.378 . 0 0 "[ . 1 . 2]" 1
523 1 26 GLN H 1 29 GLU H . . 4.300 4.088 3.839 4.269 . 0 0 "[ . 1 . 2]" 1
524 1 26 GLN H 1 29 GLU HB2 . . 3.820 2.751 2.405 3.023 . 0 0 "[ . 1 . 2]" 1
525 1 26 GLN H 1 29 GLU HB3 . . 4.430 4.052 3.619 4.413 . 0 0 "[ . 1 . 2]" 1
526 1 26 GLN HA 1 26 GLN QG . . 4.020 2.401 2.138 2.896 . 0 0 "[ . 1 . 2]" 1
527 1 26 GLN HA 1 27 PRO QD . . 3.100 2.083 2.051 2.142 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLN HB2 1 27 PRO QD . . 3.700 3.605 3.495 3.701 0.001 20 0 "[ . 1 . 2]" 1
529 1 26 GLN HB2 1 28 ASP H . . 4.520 3.404 3.105 3.962 . 0 0 "[ . 1 . 2]" 1
530 1 26 GLN HB2 1 29 GLU H . . 4.490 3.362 2.751 4.073 . 0 0 "[ . 1 . 2]" 1
531 1 26 GLN HB2 1 29 GLU HG2 . . 4.470 3.336 2.014 4.373 . 0 0 "[ . 1 . 2]" 1
532 1 26 GLN HB2 1 29 GLU HG3 . . 4.470 3.299 2.100 4.452 . 0 0 "[ . 1 . 2]" 1
533 1 26 GLN HB3 1 27 PRO QD . . 2.960 2.161 2.011 2.345 . 0 0 "[ . 1 . 2]" 1
534 1 26 GLN HB3 1 28 ASP H . . 3.920 2.340 2.196 2.560 . 0 0 "[ . 1 . 2]" 1
535 1 26 GLN QG 1 27 PRO QD . . 4.150 2.928 2.442 3.634 . 0 0 "[ . 1 . 2]" 1
536 1 27 PRO HA 1 29 GLU H . . 4.160 3.864 3.660 4.138 . 0 0 "[ . 1 . 2]" 1
537 1 27 PRO QB 1 28 ASP H . . 3.950 3.525 3.136 3.715 . 0 0 "[ . 1 . 2]" 1
538 1 27 PRO QD 1 28 ASP H . . 4.050 2.755 2.603 2.941 . 0 0 "[ . 1 . 2]" 1
539 1 27 PRO QG 1 28 ASP H . . 3.940 2.890 2.258 3.264 . 0 0 "[ . 1 . 2]" 1
540 1 27 PRO HG2 1 28 ASP H . . 4.800 2.938 2.275 3.338 . 0 0 "[ . 1 . 2]" 1
541 1 27 PRO HG3 1 28 ASP H . . 4.800 4.307 3.811 4.610 . 0 0 "[ . 1 . 2]" 1
542 1 28 ASP H 1 28 ASP HB2 . . 4.130 2.688 2.253 3.612 . 0 0 "[ . 1 . 2]" 1
543 1 28 ASP H 1 28 ASP HB3 . . 4.130 3.441 2.509 3.767 . 0 0 "[ . 1 . 2]" 1
544 1 28 ASP H 1 29 GLU H . . 3.240 2.281 2.076 2.594 . 0 0 "[ . 1 . 2]" 1
545 1 28 ASP QB 1 61 TYR QD . . 3.870 2.840 2.079 3.325 . 0 0 "[ . 1 . 2]" 1
546 1 28 ASP QB 1 61 TYR QE . . 4.100 3.127 2.380 3.862 . 0 0 "[ . 1 . 2]" 1
547 1 28 ASP HB2 1 61 TYR QD . . 4.430 3.552 2.656 4.292 . 0 0 "[ . 1 . 2]" 1
548 1 28 ASP HB2 1 61 TYR QE . . 4.680 4.136 2.800 4.679 . 0 0 "[ . 1 . 2]" 1
549 1 28 ASP HB3 1 61 TYR QD . . 4.430 3.265 2.149 4.420 . 0 0 "[ . 1 . 2]" 1
550 1 28 ASP HB3 1 61 TYR QE . . 4.680 3.424 2.403 4.320 . 0 0 "[ . 1 . 2]" 1
551 1 29 GLU H 1 29 GLU HB2 . . 3.100 2.266 2.180 2.416 . 0 0 "[ . 1 . 2]" 1
552 1 29 GLU H 1 29 GLU HB3 . . 3.780 3.529 3.483 3.602 . 0 0 "[ . 1 . 2]" 1
553 1 29 GLU H 1 29 GLU HG2 . . 4.380 3.873 2.663 4.357 . 0 0 "[ . 1 . 2]" 1
554 1 29 GLU H 1 29 GLU HG3 . . 4.380 3.773 2.974 4.375 . 0 0 "[ . 1 . 2]" 1
555 1 29 GLU H 1 61 TYR H . . 4.870 4.498 4.200 4.774 . 0 0 "[ . 1 . 2]" 1
556 1 29 GLU HA 1 29 GLU HG2 . . 4.240 3.012 2.216 3.649 . 0 0 "[ . 1 . 2]" 1
557 1 29 GLU HA 1 29 GLU QG . . 3.680 2.430 2.170 3.019 . 0 0 "[ . 1 . 2]" 1
558 1 29 GLU HA 1 29 GLU HG3 . . 4.240 2.842 2.265 3.664 . 0 0 "[ . 1 . 2]" 1
559 1 29 GLU HA 1 30 LEU H . . 3.110 2.526 2.410 2.638 . 0 0 "[ . 1 . 2]" 1
560 1 29 GLU HA 1 30 LEU HB2 . . 4.850 4.043 4.011 4.091 . 0 0 "[ . 1 . 2]" 1
561 1 29 GLU HA 1 60 GLY HA2 . . 4.950 4.271 3.825 4.953 0.003 18 0 "[ . 1 . 2]" 1
562 1 29 GLU HA 1 60 GLY HA3 . . 4.490 3.497 3.189 3.813 . 0 0 "[ . 1 . 2]" 1
563 1 29 GLU HA 1 61 TYR H . . 3.140 2.046 1.890 2.574 . 0 0 "[ . 1 . 2]" 1
564 1 29 GLU HA 1 61 TYR HB2 . . 4.160 2.816 2.384 3.052 . 0 0 "[ . 1 . 2]" 1
565 1 29 GLU HA 1 61 TYR HB3 . . 4.570 4.396 3.922 4.578 0.008 20 0 "[ . 1 . 2]" 1
566 1 29 GLU HA 1 62 VAL MG1 . . 5.270 4.205 3.962 4.447 . 0 0 "[ . 1 . 2]" 1
567 1 29 GLU HB2 1 30 LEU H . . 3.880 3.637 3.324 3.868 . 0 0 "[ . 1 . 2]" 1
568 1 29 GLU HB2 1 61 TYR H . . 5.500 4.981 4.761 5.491 . 0 0 "[ . 1 . 2]" 1
569 1 29 GLU HB3 1 30 LEU H . . 3.490 2.202 1.942 2.482 . 0 0 "[ . 1 . 2]" 1
570 1 29 GLU HB3 1 49 TRP HZ3 . . 4.990 4.232 3.891 4.783 . 0 0 "[ . 1 . 2]" 1
571 1 29 GLU QG 1 61 TYR H . . 4.460 3.938 3.530 4.481 0.021 20 0 "[ . 1 . 2]" 1
572 1 29 GLU HG2 1 49 TRP HZ3 . . 4.640 3.393 2.338 4.641 0.001 20 0 "[ . 1 . 2]" 1
573 1 29 GLU HG3 1 49 TRP HZ3 . . 4.640 3.417 2.125 4.588 . 0 0 "[ . 1 . 2]" 1
574 1 30 LEU H 1 30 LEU HB2 . . 3.650 2.746 2.600 2.867 . 0 0 "[ . 1 . 2]" 1
575 1 30 LEU H 1 30 LEU HB3 . . 3.670 2.926 2.863 2.977 . 0 0 "[ . 1 . 2]" 1
576 1 30 LEU H 1 30 LEU MD1 . . 4.460 4.245 4.213 4.308 . 0 0 "[ . 1 . 2]" 1
577 1 30 LEU H 1 30 LEU MD2 . . 4.460 4.032 3.956 4.157 . 0 0 "[ . 1 . 2]" 1
578 1 30 LEU H 1 30 LEU HG . . 5.500 4.900 4.802 4.989 . 0 0 "[ . 1 . 2]" 1
579 1 30 LEU H 1 60 GLY HA3 . . 4.550 3.606 3.222 4.036 . 0 0 "[ . 1 . 2]" 1
580 1 30 LEU H 1 61 TYR H . . 4.060 3.265 2.806 3.796 . 0 0 "[ . 1 . 2]" 1
581 1 30 LEU H 1 62 VAL MG1 . . 3.720 2.546 2.347 2.827 . 0 0 "[ . 1 . 2]" 1
582 1 30 LEU H 1 62 VAL MG2 . . 5.210 4.927 4.411 5.195 . 0 0 "[ . 1 . 2]" 1
583 1 30 LEU HA 1 30 LEU MD1 . . 3.480 2.693 2.454 2.873 . 0 0 "[ . 1 . 2]" 1
584 1 30 LEU HA 1 30 LEU MD2 . . 3.480 2.020 1.935 2.202 . 0 0 "[ . 1 . 2]" 1
585 1 30 LEU HA 1 31 THR H . . 2.810 2.144 2.138 2.150 . 0 0 "[ . 1 . 2]" 1
586 1 30 LEU HB2 1 30 LEU MD1 . . 3.390 3.179 3.163 3.194 . 0 0 "[ . 1 . 2]" 1
587 1 30 LEU HB2 1 30 LEU QD . . 2.970 2.284 2.193 2.337 . 0 0 "[ . 1 . 2]" 1
588 1 30 LEU HB2 1 30 LEU MD2 . . 3.390 2.342 2.235 2.406 . 0 0 "[ . 1 . 2]" 1
589 1 30 LEU HB2 1 31 THR H . . 4.630 4.508 4.419 4.543 . 0 0 "[ . 1 . 2]" 1
590 1 30 LEU HB2 1 32 ILE MG . . 4.480 4.392 4.231 4.481 0.001 12 0 "[ . 1 . 2]" 1
591 1 30 LEU HB2 1 60 GLY H . . 4.410 2.728 2.476 2.959 . 0 0 "[ . 1 . 2]" 1
592 1 30 LEU HB2 1 60 GLY HA2 . . 4.500 3.655 3.468 3.969 . 0 0 "[ . 1 . 2]" 1
593 1 30 LEU HB2 1 60 GLY HA3 . . 3.910 2.109 1.998 2.469 . 0 0 "[ . 1 . 2]" 1
594 1 30 LEU HB2 1 61 TYR H . . 5.050 3.290 2.832 3.715 . 0 0 "[ . 1 . 2]" 1
595 1 30 LEU HB3 1 30 LEU MD1 . . 3.470 2.281 2.134 2.386 . 0 0 "[ . 1 . 2]" 1
596 1 30 LEU HB3 1 30 LEU QD . . 2.980 2.233 2.103 2.323 . 0 0 "[ . 1 . 2]" 1
597 1 30 LEU HB3 1 30 LEU MD2 . . 3.470 3.185 3.176 3.196 . 0 0 "[ . 1 . 2]" 1
598 1 30 LEU HB3 1 31 THR H . . 4.150 4.098 3.954 4.150 . 0 0 "[ . 1 . 2]" 1
599 1 30 LEU HB3 1 32 ILE MG . . 3.530 2.910 2.755 3.005 . 0 0 "[ . 1 . 2]" 1
600 1 30 LEU HB3 1 60 GLY H . . 4.730 3.990 3.693 4.162 . 0 0 "[ . 1 . 2]" 1
601 1 30 LEU HB3 1 60 GLY HA3 . . 4.460 3.849 3.710 4.231 . 0 0 "[ . 1 . 2]" 1
602 1 30 LEU HB3 1 62 VAL MG1 . . 3.240 1.965 1.851 2.108 . 0 0 "[ . 1 . 2]" 1
603 1 30 LEU QD 1 31 THR H . . 3.580 2.507 2.243 2.708 . 0 0 "[ . 1 . 2]" 1
604 1 30 LEU QD 1 32 ILE H . . 4.870 4.032 3.681 4.208 . 0 0 "[ . 1 . 2]" 1
605 1 30 LEU QD 1 32 ILE HA . . 4.460 3.563 3.379 3.689 . 0 0 "[ . 1 . 2]" 1
606 1 30 LEU QD 1 53 ARG HA . . 4.000 3.674 3.360 3.935 . 0 0 "[ . 1 . 2]" 1
607 1 30 LEU QD 1 54 ASN H . . 3.580 3.290 2.991 3.543 . 0 0 "[ . 1 . 2]" 1
608 1 30 LEU QD 1 54 ASN HB2 . . 4.450 3.938 3.591 4.239 . 0 0 "[ . 1 . 2]" 1
609 1 30 LEU QD 1 54 ASN HB3 . . 3.550 2.873 2.431 3.258 . 0 0 "[ . 1 . 2]" 1
610 1 30 LEU QD 1 54 ASN HD21 . . 3.490 2.209 1.977 2.418 . 0 0 "[ . 1 . 2]" 1
611 1 30 LEU QD 1 54 ASN HD22 . . 3.680 2.138 2.021 2.305 . 0 0 "[ . 1 . 2]" 1
612 1 30 LEU QD 1 58 GLN HA . . 4.420 3.641 3.500 3.834 . 0 0 "[ . 1 . 2]" 1
613 1 30 LEU QD 1 58 GLN QE . . 4.690 4.176 2.872 4.620 . 0 0 "[ . 1 . 2]" 1
614 1 30 LEU QD 1 58 GLN QG . . 4.030 3.570 3.356 3.726 . 0 0 "[ . 1 . 2]" 1
615 1 30 LEU QD 1 59 VAL H . . 4.400 3.133 2.656 3.415 . 0 0 "[ . 1 . 2]" 1
616 1 30 LEU QD 1 59 VAL HA . . 3.760 2.657 2.068 2.984 . 0 0 "[ . 1 . 2]" 1
617 1 30 LEU QD 1 60 GLY H . . 3.510 2.518 2.133 2.855 . 0 0 "[ . 1 . 2]" 1
618 1 30 LEU QD 1 60 GLY HA2 . . 4.260 3.411 3.156 3.746 . 0 0 "[ . 1 . 2]" 1
619 1 30 LEU QD 1 60 GLY HA3 . . 3.670 2.265 2.015 2.635 . 0 0 "[ . 1 . 2]" 1
620 1 30 LEU QD 1 61 TYR H . . 5.070 4.233 3.905 4.527 . 0 0 "[ . 1 . 2]" 1
621 1 30 LEU MD1 1 31 THR H . . 4.310 2.656 2.297 3.013 . 0 0 "[ . 1 . 2]" 1
622 1 30 LEU MD1 1 53 ARG HA . . 4.670 4.390 4.031 4.673 0.003 18 0 "[ . 1 . 2]" 1
623 1 30 LEU MD1 1 54 ASN H . . 4.100 3.582 3.155 3.960 . 0 0 "[ . 1 . 2]" 1
624 1 30 LEU MD1 1 54 ASN HB3 . . 4.820 2.900 2.441 3.313 . 0 0 "[ . 1 . 2]" 1
625 1 30 LEU MD1 1 54 ASN HD21 . . 4.060 2.225 1.988 2.437 . 0 0 "[ . 1 . 2]" 1
626 1 30 LEU MD1 1 54 ASN HD22 . . 4.230 2.229 2.095 2.420 . 0 0 "[ . 1 . 2]" 1
627 1 30 LEU MD1 1 58 GLN HA . . 5.420 5.399 5.329 5.422 0.002 19 0 "[ . 1 . 2]" 1
628 1 30 LEU MD1 1 58 GLN HB2 . . 3.690 3.563 3.458 3.693 0.003 16 0 "[ . 1 . 2]" 1
629 1 30 LEU MD1 1 58 GLN HB3 . . 3.550 3.428 3.295 3.531 . 0 0 "[ . 1 . 2]" 1
630 1 30 LEU MD1 1 58 GLN QG . . 4.970 4.807 4.183 4.967 . 0 0 "[ . 1 . 2]" 1
631 1 30 LEU MD1 1 59 VAL HA . . 4.640 4.412 4.031 4.637 . 0 0 "[ . 1 . 2]" 1
632 1 30 LEU MD1 1 60 GLY H . . 4.240 4.171 4.085 4.242 0.002 12 0 "[ . 1 . 2]" 1
633 1 30 LEU MD1 1 60 GLY HA3 . . 4.850 4.509 4.278 4.851 0.001 18 0 "[ . 1 . 2]" 1
634 1 30 LEU MD2 1 31 THR H . . 4.310 3.146 2.802 3.520 . 0 0 "[ . 1 . 2]" 1
635 1 30 LEU MD2 1 53 ARG HA . . 4.670 3.954 3.545 4.236 . 0 0 "[ . 1 . 2]" 1
636 1 30 LEU MD2 1 54 ASN H . . 4.100 3.861 3.665 4.004 . 0 0 "[ . 1 . 2]" 1
637 1 30 LEU MD2 1 54 ASN HB3 . . 4.820 4.725 4.500 4.824 0.004 18 0 "[ . 1 . 2]" 1
638 1 30 LEU MD2 1 54 ASN HD21 . . 4.060 3.753 3.468 4.025 . 0 0 "[ . 1 . 2]" 1
639 1 30 LEU MD2 1 54 ASN HD22 . . 4.230 2.765 2.435 3.005 . 0 0 "[ . 1 . 2]" 1
640 1 30 LEU MD2 1 58 GLN HA . . 5.420 3.702 3.548 3.920 . 0 0 "[ . 1 . 2]" 1
641 1 30 LEU MD2 1 58 GLN HB2 . . 3.690 2.981 2.794 3.119 . 0 0 "[ . 1 . 2]" 1
642 1 30 LEU MD2 1 58 GLN HB3 . . 3.550 1.979 1.824 2.145 . 0 0 "[ . 1 . 2]" 1
643 1 30 LEU MD2 1 58 GLN QG . . 4.970 3.684 3.421 3.868 . 0 0 "[ . 1 . 2]" 1
644 1 30 LEU MD2 1 59 VAL HA . . 4.640 2.682 2.072 3.029 . 0 0 "[ . 1 . 2]" 1
645 1 30 LEU MD2 1 60 GLY H . . 4.240 2.542 2.139 2.915 . 0 0 "[ . 1 . 2]" 1
646 1 30 LEU MD2 1 60 GLY HA3 . . 4.850 2.271 2.018 2.648 . 0 0 "[ . 1 . 2]" 1
647 1 30 LEU HG 1 31 THR H . . 5.500 4.977 4.728 5.096 . 0 0 "[ . 1 . 2]" 1
648 1 30 LEU HG 1 32 ILE MG . . 4.330 4.073 3.865 4.296 . 0 0 "[ . 1 . 2]" 1
649 1 30 LEU HG 1 60 GLY H . . 4.450 2.595 2.448 2.777 . 0 0 "[ . 1 . 2]" 1
650 1 30 LEU HG 1 60 GLY HA2 . . 5.190 4.970 4.741 5.127 . 0 0 "[ . 1 . 2]" 1
651 1 30 LEU HG 1 60 GLY HA3 . . 3.990 3.778 3.470 3.982 . 0 0 "[ . 1 . 2]" 1
652 1 31 THR H 1 31 THR HB . . 3.030 2.620 2.520 2.832 . 0 0 "[ . 1 . 2]" 1
653 1 31 THR H 1 31 THR MG . . 4.450 3.764 3.719 3.789 . 0 0 "[ . 1 . 2]" 1
654 1 31 THR H 1 32 ILE H . . 4.810 4.435 4.341 4.505 . 0 0 "[ . 1 . 2]" 1
655 1 31 THR H 1 32 ILE MG . . 4.660 4.369 4.240 4.489 . 0 0 "[ . 1 . 2]" 1
656 1 31 THR HA 1 31 THR MG . . 3.490 2.335 2.086 2.433 . 0 0 "[ . 1 . 2]" 1
657 1 31 THR HA 1 32 ILE H . . 2.810 2.146 2.142 2.159 . 0 0 "[ . 1 . 2]" 1
658 1 31 THR HA 1 32 ILE HG12 . . 4.210 3.977 3.846 4.141 . 0 0 "[ . 1 . 2]" 1
659 1 31 THR HA 1 32 ILE HG13 . . 5.360 5.137 4.938 5.361 0.001 11 0 "[ . 1 . 2]" 1
660 1 31 THR HA 1 32 ILE MG . . 4.300 3.752 3.624 3.930 . 0 0 "[ . 1 . 2]" 1
661 1 31 THR HB 1 32 ILE H . . 4.650 4.279 4.134 4.379 . 0 0 "[ . 1 . 2]" 1
662 1 31 THR MG 1 32 ILE H . . 3.380 2.852 2.554 3.077 . 0 0 "[ . 1 . 2]" 1
663 1 31 THR MG 1 32 ILE HA . . 4.310 3.846 3.632 4.233 . 0 0 "[ . 1 . 2]" 1
664 1 31 THR MG 1 33 GLU QG . . 4.130 3.304 3.106 3.463 . 0 0 "[ . 1 . 2]" 1
665 1 32 ILE H 1 32 ILE MD . . 4.020 3.795 3.681 3.907 . 0 0 "[ . 1 . 2]" 1
666 1 32 ILE H 1 32 ILE HG12 . . 3.180 2.149 1.993 2.310 . 0 0 "[ . 1 . 2]" 1
667 1 32 ILE H 1 32 ILE HG13 . . 3.550 3.038 2.852 3.257 . 0 0 "[ . 1 . 2]" 1
668 1 32 ILE H 1 32 ILE MG . . 3.780 2.709 2.526 2.865 . 0 0 "[ . 1 . 2]" 1
669 1 32 ILE HA 1 32 ILE MD . . 4.530 4.164 4.150 4.180 . 0 0 "[ . 1 . 2]" 1
670 1 32 ILE HA 1 32 ILE MG . . 3.060 2.400 2.261 2.480 . 0 0 "[ . 1 . 2]" 1
671 1 32 ILE HA 1 33 GLU H . . 2.840 2.433 2.319 2.538 . 0 0 "[ . 1 . 2]" 1
672 1 32 ILE HA 1 33 GLU HB2 . . 5.000 4.068 4.028 4.107 . 0 0 "[ . 1 . 2]" 1
673 1 32 ILE HA 1 33 GLU HB3 . . 5.500 5.525 5.515 5.536 0.036 4 0 "[ . 1 . 2]" 1
674 1 32 ILE HA 1 33 GLU QG . . 4.490 4.205 4.139 4.282 . 0 0 "[ . 1 . 2]" 1
675 1 32 ILE HA 1 38 LEU MD2 . . 4.800 4.035 3.766 4.342 . 0 0 "[ . 1 . 2]" 1
676 1 32 ILE HB 1 32 ILE MD . . 3.230 2.347 2.267 2.505 . 0 0 "[ . 1 . 2]" 1
677 1 32 ILE HB 1 33 GLU H . . 3.380 2.337 2.118 2.602 . 0 0 "[ . 1 . 2]" 1
678 1 32 ILE HB 1 38 LEU MD1 . . 4.260 2.993 2.605 3.263 . 0 0 "[ . 1 . 2]" 1
679 1 32 ILE HB 1 67 LEU MD2 . . 4.530 4.269 3.909 4.505 . 0 0 "[ . 1 . 2]" 1
680 1 32 ILE MD 1 62 VAL HA . . 4.790 4.450 4.222 4.711 . 0 0 "[ . 1 . 2]" 1
681 1 32 ILE MD 1 62 VAL HB . . 3.290 2.706 2.437 3.010 . 0 0 "[ . 1 . 2]" 1
682 1 32 ILE MD 1 63 PRO QD . . 3.650 3.012 2.664 3.306 . 0 0 "[ . 1 . 2]" 1
683 1 32 ILE MD 1 66 TYR HB2 . . 3.770 3.260 2.633 3.526 . 0 0 "[ . 1 . 2]" 1
684 1 32 ILE MD 1 66 TYR HB3 . . 3.880 2.932 2.499 3.574 . 0 0 "[ . 1 . 2]" 1
685 1 32 ILE MD 1 66 TYR QD . . 4.170 3.263 2.524 4.085 . 0 0 "[ . 1 . 2]" 1
686 1 32 ILE MD 1 67 LEU MD2 . . 3.140 2.721 2.307 3.067 . 0 0 "[ . 1 . 2]" 1
687 1 32 ILE HG12 1 32 ILE MG . . 3.570 2.410 2.279 2.494 . 0 0 "[ . 1 . 2]" 1
688 1 32 ILE MG 1 33 GLU H . . 4.340 3.682 3.548 3.809 . 0 0 "[ . 1 . 2]" 1
689 1 32 ILE MG 1 33 GLU QG . . 5.500 5.466 5.408 5.507 0.007 11 0 "[ . 1 . 2]" 1
690 1 32 ILE MG 1 38 LEU HB3 . . 5.500 4.849 4.594 5.040 . 0 0 "[ . 1 . 2]" 1
691 1 32 ILE MG 1 38 LEU MD1 . . 3.020 2.063 1.893 2.249 . 0 0 "[ . 1 . 2]" 1
692 1 32 ILE MG 1 38 LEU MD2 . . 2.930 2.697 2.294 2.932 0.002 4 0 "[ . 1 . 2]" 1
693 1 33 GLU H 1 33 GLU HB2 . . 3.500 2.778 2.688 2.880 . 0 0 "[ . 1 . 2]" 1
694 1 33 GLU H 1 33 GLU HB3 . . 3.810 3.744 3.697 3.798 . 0 0 "[ . 1 . 2]" 1
695 1 33 GLU H 1 33 GLU QG . . 3.960 3.688 3.631 3.734 . 0 0 "[ . 1 . 2]" 1
696 1 33 GLU H 1 34 GLU H . . 4.840 4.305 4.235 4.380 . 0 0 "[ . 1 . 2]" 1
697 1 33 GLU H 1 36 GLU H . . 5.100 4.964 4.600 5.101 0.001 4 0 "[ . 1 . 2]" 1
698 1 33 GLU H 1 36 GLU HB2 . . 4.030 3.124 2.888 3.334 . 0 0 "[ . 1 . 2]" 1
699 1 33 GLU H 1 36 GLU HB3 . . 4.030 2.843 2.551 3.019 . 0 0 "[ . 1 . 2]" 1
700 1 33 GLU H 1 36 GLU QG . . 4.300 3.486 2.847 4.111 . 0 0 "[ . 1 . 2]" 1
701 1 33 GLU HB2 1 34 GLU H . . 4.420 4.191 4.041 4.284 . 0 0 "[ . 1 . 2]" 1
702 1 33 GLU HB2 1 36 GLU QB . . 4.010 3.530 3.278 3.723 . 0 0 "[ . 1 . 2]" 1
703 1 33 GLU HB3 1 34 GLU H . . 3.750 2.994 2.744 3.158 . 0 0 "[ . 1 . 2]" 1
704 1 33 GLU HB3 1 36 GLU QB . . 4.270 4.067 3.677 4.254 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLU QG 1 34 GLU H . . 4.030 3.475 3.332 4.029 . 0 0 "[ . 1 . 2]" 1
706 1 33 GLU QG 1 34 GLU QB . . 5.500 4.824 4.681 5.326 . 0 0 "[ . 1 . 2]" 1
707 1 34 GLU H 1 34 GLU QB . . 2.950 2.208 2.120 2.254 . 0 0 "[ . 1 . 2]" 1
708 1 34 GLU H 1 34 GLU HG2 . . 4.750 4.565 4.483 4.627 . 0 0 "[ . 1 . 2]" 1
709 1 34 GLU H 1 34 GLU HG3 . . 4.990 4.268 4.067 4.388 . 0 0 "[ . 1 . 2]" 1
710 1 34 GLU H 1 35 HIS H . . 4.800 4.623 4.610 4.649 . 0 0 "[ . 1 . 2]" 1
711 1 34 GLU HA 1 34 GLU HG2 . . 4.120 3.062 2.826 3.285 . 0 0 "[ . 1 . 2]" 1
712 1 34 GLU HA 1 34 GLU HG3 . . 3.730 2.443 2.247 2.749 . 0 0 "[ . 1 . 2]" 1
713 1 34 GLU HA 1 35 HIS H . . 2.720 2.242 2.214 2.384 . 0 0 "[ . 1 . 2]" 1
714 1 34 GLU HA 1 36 GLU H . . 4.060 3.686 3.410 3.907 . 0 0 "[ . 1 . 2]" 1
715 1 34 GLU QB 1 35 HIS H . . 4.020 3.505 3.305 3.578 . 0 0 "[ . 1 . 2]" 1
716 1 34 GLU QB 1 35 HIS HD2 . . 4.490 3.575 2.559 4.473 . 0 0 "[ . 1 . 2]" 1
717 1 34 GLU HG2 1 35 HIS H . . 4.100 2.574 1.984 2.892 . 0 0 "[ . 1 . 2]" 1
718 1 34 GLU HG2 1 35 HIS HA . . 4.710 3.937 3.610 4.293 . 0 0 "[ . 1 . 2]" 1
719 1 34 GLU HG2 1 35 HIS HD2 . . 4.780 3.165 2.561 4.779 . 0 0 "[ . 1 . 2]" 1
720 1 34 GLU HG2 1 35 HIS HE1 . . 5.140 3.479 2.842 3.882 . 0 0 "[ . 1 . 2]" 1
721 1 34 GLU HG3 1 35 HIS H . . 4.140 2.806 2.396 3.124 . 0 0 "[ . 1 . 2]" 1
722 1 34 GLU HG3 1 35 HIS HE1 . . 5.500 4.745 4.075 5.457 . 0 0 "[ . 1 . 2]" 1
723 1 35 HIS H 1 35 HIS HA . . 2.890 2.278 2.275 2.295 . 0 0 "[ . 1 . 2]" 1
724 1 35 HIS HB2 1 36 GLU H . . 4.750 4.239 4.100 4.357 . 0 0 "[ . 1 . 2]" 1
725 1 35 HIS HB3 1 36 GLU H . . 4.750 4.512 4.442 4.661 . 0 0 "[ . 1 . 2]" 1
726 1 36 GLU H 1 36 GLU HB2 . . 3.300 3.132 2.999 3.300 . 8 0 "[ . 1 . 2]" 1
727 1 36 GLU H 1 36 GLU QB . . 2.870 2.550 2.412 2.628 . 0 0 "[ . 1 . 2]" 1
728 1 36 GLU H 1 36 GLU HB3 . . 3.300 2.706 2.507 2.845 . 0 0 "[ . 1 . 2]" 1
729 1 36 GLU HA 1 36 GLU QG . . 3.610 2.588 2.339 2.873 . 0 0 "[ . 1 . 2]" 1
730 1 36 GLU HA 1 37 VAL H . . 2.710 2.172 2.140 2.220 . 0 0 "[ . 1 . 2]" 1
731 1 36 GLU HA 1 37 VAL HB . . 4.960 4.675 4.630 4.830 . 0 0 "[ . 1 . 2]" 1
732 1 36 GLU HA 1 37 VAL QG . . 3.860 3.705 3.466 3.839 . 0 0 "[ . 1 . 2]" 1
733 1 36 GLU QB 1 38 LEU MD2 . . 4.270 3.711 3.433 4.089 . 0 0 "[ . 1 . 2]" 1
734 1 36 GLU QG 1 37 VAL H . . 3.480 3.315 2.974 3.475 . 0 0 "[ . 1 . 2]" 1
735 1 36 GLU QG 1 38 LEU H . . 4.840 4.443 4.204 4.772 . 0 0 "[ . 1 . 2]" 1
736 1 36 GLU QG 1 38 LEU MD1 . . 4.260 3.310 2.897 3.879 . 0 0 "[ . 1 . 2]" 1
737 1 36 GLU QG 1 38 LEU MD2 . . 3.650 2.171 1.952 2.465 . 0 0 "[ . 1 . 2]" 1
738 1 36 GLU QG 1 38 LEU HG . . 4.510 2.688 2.345 3.297 . 0 0 "[ . 1 . 2]" 1
739 1 37 VAL H 1 37 VAL HB . . 3.020 2.542 2.493 2.706 . 0 0 "[ . 1 . 2]" 1
740 1 37 VAL H 1 37 VAL MG1 . . 4.090 3.594 1.900 3.794 . 0 0 "[ . 1 . 2]" 1
741 1 37 VAL H 1 37 VAL QG . . 3.040 2.210 1.895 2.401 . 0 0 "[ . 1 . 2]" 1
742 1 37 VAL H 1 37 VAL MG2 . . 4.090 2.409 1.971 3.778 . 0 0 "[ . 1 . 2]" 1
743 1 37 VAL H 1 38 LEU H . . 4.600 4.448 4.409 4.515 . 0 0 "[ . 1 . 2]" 1
744 1 37 VAL HB 1 38 LEU H . . 4.330 4.275 4.205 4.331 0.001 18 0 "[ . 1 . 2]" 1
745 1 37 VAL QG 1 38 LEU H . . 3.190 2.722 2.487 2.915 . 0 0 "[ . 1 . 2]" 1
746 1 37 VAL QG 1 38 LEU HA . . 5.350 3.647 3.384 3.790 . 0 0 "[ . 1 . 2]" 1
747 1 37 VAL MG1 1 38 LEU H . . 4.230 2.913 2.594 4.055 . 0 0 "[ . 1 . 2]" 1
748 1 37 VAL MG2 1 38 LEU H . . 4.230 3.966 2.510 4.227 . 0 0 "[ . 1 . 2]" 1
749 1 38 LEU H 1 38 LEU HB2 . . 3.820 2.679 2.600 2.836 . 0 0 "[ . 1 . 2]" 1
750 1 38 LEU H 1 38 LEU MD1 . . 4.170 3.563 3.396 3.737 . 0 0 "[ . 1 . 2]" 1
751 1 38 LEU H 1 38 LEU MD2 . . 4.370 3.842 3.720 4.041 . 0 0 "[ . 1 . 2]" 1
752 1 38 LEU H 1 38 LEU HG . . 3.980 2.604 2.381 2.855 . 0 0 "[ . 1 . 2]" 1
753 1 38 LEU H 1 39 GLU H . . 4.620 4.458 4.423 4.494 . 0 0 "[ . 1 . 2]" 1
754 1 38 LEU HA 1 38 LEU MD2 . . 3.240 2.506 2.320 2.709 . 0 0 "[ . 1 . 2]" 1
755 1 38 LEU HA 1 38 LEU HG . . 3.740 3.047 2.921 3.139 . 0 0 "[ . 1 . 2]" 1
756 1 38 LEU HA 1 39 GLU H . . 2.970 2.568 2.496 2.636 . 0 0 "[ . 1 . 2]" 1
757 1 38 LEU HA 1 54 ASN HA . . 3.830 3.321 3.025 3.816 . 0 0 "[ . 1 . 2]" 1
758 1 38 LEU HB2 1 38 LEU MD1 . . 3.550 2.127 2.043 2.188 . 0 0 "[ . 1 . 2]" 1
759 1 38 LEU HB2 1 38 LEU MD2 . . 3.610 3.145 3.117 3.170 . 0 0 "[ . 1 . 2]" 1
760 1 38 LEU HB2 1 39 GLU H . . 3.350 3.122 2.897 3.341 . 0 0 "[ . 1 . 2]" 1
761 1 38 LEU HB2 1 39 GLU HA . . 4.590 4.438 4.315 4.570 . 0 0 "[ . 1 . 2]" 1
762 1 38 LEU HB2 1 39 GLU QB . . 5.500 5.088 4.900 5.237 . 0 0 "[ . 1 . 2]" 1
763 1 38 LEU HB2 1 40 VAL MG2 . . 4.620 3.912 3.730 4.177 . 0 0 "[ . 1 . 2]" 1
764 1 38 LEU HB2 1 52 ALA MB . . 3.220 2.778 2.453 3.095 . 0 0 "[ . 1 . 2]" 1
765 1 38 LEU HB2 1 53 ARG H . . 5.500 4.932 4.247 5.494 . 0 0 "[ . 1 . 2]" 1
766 1 38 LEU HB2 1 54 ASN HA . . 5.500 5.289 5.022 5.496 . 0 0 "[ . 1 . 2]" 1
767 1 38 LEU HB2 1 67 LEU MD2 . . 4.350 3.393 3.033 3.658 . 0 0 "[ . 1 . 2]" 1
768 1 38 LEU HB3 1 38 LEU MD1 . . 3.500 2.604 2.528 2.645 . 0 0 "[ . 1 . 2]" 1
769 1 38 LEU HB3 1 38 LEU MD2 . . 3.590 2.117 2.022 2.237 . 0 0 "[ . 1 . 2]" 1
770 1 38 LEU HB3 1 39 GLU H . . 3.790 2.173 2.056 2.281 . 0 0 "[ . 1 . 2]" 1
771 1 38 LEU HB3 1 40 VAL MG2 . . 5.500 4.577 4.344 4.851 . 0 0 "[ . 1 . 2]" 1
772 1 38 LEU HB3 1 52 ALA MB . . 3.680 2.184 1.964 2.482 . 0 0 "[ . 1 . 2]" 1
773 1 38 LEU HB3 1 53 ARG H . . 4.790 3.586 3.195 4.152 . 0 0 "[ . 1 . 2]" 1
774 1 38 LEU HB3 1 54 ASN HA . . 4.170 3.808 3.386 4.003 . 0 0 "[ . 1 . 2]" 1
775 1 38 LEU HB3 1 67 LEU MD2 . . 5.010 4.513 4.164 4.779 . 0 0 "[ . 1 . 2]" 1
776 1 38 LEU MD1 1 39 GLU H . . 4.440 4.356 4.210 4.444 0.004 4 0 "[ . 1 . 2]" 1
777 1 38 LEU MD1 1 52 ALA MB . . 2.980 2.595 2.254 2.805 . 0 0 "[ . 1 . 2]" 1
778 1 38 LEU MD1 1 54 ASN HB3 . . 5.300 4.281 3.947 4.552 . 0 0 "[ . 1 . 2]" 1
779 1 38 LEU MD1 1 67 LEU HG . . 4.440 4.325 4.193 4.430 . 0 0 "[ . 1 . 2]" 1
780 1 38 LEU MD2 1 39 GLU H . . 4.130 3.565 3.364 3.845 . 0 0 "[ . 1 . 2]" 1
781 1 38 LEU MD2 1 53 ARG HG2 . . 5.500 5.241 4.901 5.501 0.001 4 0 "[ . 1 . 2]" 1
782 1 38 LEU MD2 1 54 ASN H . . 4.450 3.542 3.235 3.900 . 0 0 "[ . 1 . 2]" 1
783 1 38 LEU MD2 1 54 ASN HA . . 3.320 2.104 1.879 2.594 . 0 0 "[ . 1 . 2]" 1
784 1 38 LEU MD2 1 54 ASN HB2 . . 3.840 3.338 3.088 3.586 . 0 0 "[ . 1 . 2]" 1
785 1 38 LEU MD2 1 54 ASN HB3 . . 3.490 2.239 1.970 2.447 . 0 0 "[ . 1 . 2]" 1
786 1 38 LEU MD2 1 54 ASN HD21 . . 4.390 3.837 3.369 4.199 . 0 0 "[ . 1 . 2]" 1
787 1 38 LEU MD2 1 55 LYS H . . 4.390 3.710 3.476 4.074 . 0 0 "[ . 1 . 2]" 1
788 1 38 LEU HG 1 39 GLU H . . 4.990 4.738 4.679 4.826 . 0 0 "[ . 1 . 2]" 1
789 1 38 LEU HG 1 54 ASN HA . . 5.500 4.594 4.359 5.060 . 0 0 "[ . 1 . 2]" 1
790 1 38 LEU HG 1 54 ASN HB3 . . 5.390 4.861 4.457 5.206 . 0 0 "[ . 1 . 2]" 1
791 1 38 LEU HG 1 67 LEU MD2 . . 4.800 3.968 3.745 4.279 . 0 0 "[ . 1 . 2]" 1
792 1 39 GLU H 1 39 GLU QB . . 3.270 2.587 2.524 2.662 . 0 0 "[ . 1 . 2]" 1
793 1 39 GLU H 1 39 GLU HG2 . . 4.900 4.657 4.513 4.904 0.004 4 0 "[ . 1 . 2]" 1
794 1 39 GLU H 1 39 GLU QG . . 4.190 4.143 4.085 4.202 0.012 19 0 "[ . 1 . 2]" 1
795 1 39 GLU H 1 39 GLU HG3 . . 4.900 4.651 4.562 4.730 . 0 0 "[ . 1 . 2]" 1
796 1 39 GLU H 1 40 VAL H . . 4.760 4.044 3.950 4.301 . 0 0 "[ . 1 . 2]" 1
797 1 39 GLU H 1 40 VAL MG2 . . 4.730 4.508 4.392 4.704 . 0 0 "[ . 1 . 2]" 1
798 1 39 GLU H 1 52 ALA MB . . 4.290 2.884 2.444 3.256 . 0 0 "[ . 1 . 2]" 1
799 1 39 GLU H 1 53 ARG H . . 3.600 2.725 2.389 3.359 . 0 0 "[ . 1 . 2]" 1
800 1 39 GLU H 1 54 ASN HA . . 4.750 4.354 3.985 4.610 . 0 0 "[ . 1 . 2]" 1
801 1 39 GLU HA 1 39 GLU HG2 . . 3.940 3.195 2.969 3.683 . 0 0 "[ . 1 . 2]" 1
802 1 39 GLU HA 1 39 GLU QG . . 3.440 2.341 2.259 2.488 . 0 0 "[ . 1 . 2]" 1
803 1 39 GLU HA 1 39 GLU HG3 . . 3.940 2.412 2.318 2.551 . 0 0 "[ . 1 . 2]" 1
804 1 39 GLU HA 1 40 VAL H . . 2.870 2.160 2.145 2.176 . 0 0 "[ . 1 . 2]" 1
805 1 39 GLU QB 1 40 VAL H . . 4.000 3.906 3.725 3.948 . 0 0 "[ . 1 . 2]" 1
806 1 39 GLU QB 1 41 ILE MG . . 3.790 3.301 2.912 3.641 . 0 0 "[ . 1 . 2]" 1
807 1 39 GLU QB 1 53 ARG H . . 4.010 3.314 2.949 3.688 . 0 0 "[ . 1 . 2]" 1
808 1 39 GLU QB 1 53 ARG HB2 . . 5.500 4.713 4.210 5.248 . 0 0 "[ . 1 . 2]" 1
809 1 39 GLU QG 1 40 VAL H . . 4.180 3.252 2.689 3.403 . 0 0 "[ . 1 . 2]" 1
810 1 39 GLU QG 1 41 ILE MD . . 5.340 5.273 5.013 5.340 . 0 0 "[ . 1 . 2]" 1
811 1 39 GLU QG 1 41 ILE MG . . 3.570 2.759 2.517 3.085 . 0 0 "[ . 1 . 2]" 1
812 1 39 GLU HG2 1 40 VAL H . . 4.990 3.905 3.629 4.767 . 0 0 "[ . 1 . 2]" 1
813 1 39 GLU HG3 1 40 VAL H . . 4.990 3.561 2.714 3.879 . 0 0 "[ . 1 . 2]" 1
814 1 40 VAL H 1 40 VAL HB . . 3.190 2.526 2.458 2.613 . 0 0 "[ . 1 . 2]" 1
815 1 40 VAL H 1 40 VAL MG1 . . 4.310 3.770 3.760 3.790 . 0 0 "[ . 1 . 2]" 1
816 1 40 VAL H 1 40 VAL MG2 . . 3.410 2.344 2.197 2.479 . 0 0 "[ . 1 . 2]" 1
817 1 40 VAL H 1 41 ILE H . . 4.750 4.369 4.232 4.517 . 0 0 "[ . 1 . 2]" 1
818 1 40 VAL HA 1 40 VAL MG1 . . 3.310 2.341 2.219 2.435 . 0 0 "[ . 1 . 2]" 1
819 1 40 VAL HA 1 40 VAL MG2 . . 3.320 2.300 2.241 2.374 . 0 0 "[ . 1 . 2]" 1
820 1 40 VAL HA 1 41 ILE H . . 2.900 2.159 2.140 2.203 . 0 0 "[ . 1 . 2]" 1
821 1 40 VAL HA 1 41 ILE HG12 . . 4.100 3.823 3.578 4.025 . 0 0 "[ . 1 . 2]" 1
822 1 40 VAL HA 1 42 GLU H . . 4.320 3.664 3.385 3.827 . 0 0 "[ . 1 . 2]" 1
823 1 40 VAL HA 1 52 ALA HA . . 3.120 2.450 2.095 2.686 . 0 0 "[ . 1 . 2]" 1
824 1 40 VAL HA 1 52 ALA MB . . 3.510 2.570 2.324 2.897 . 0 0 "[ . 1 . 2]" 1
825 1 40 VAL HA 1 53 ARG H . . 4.300 4.122 3.832 4.292 . 0 0 "[ . 1 . 2]" 1
826 1 40 VAL HB 1 41 ILE H . . 4.720 4.352 4.162 4.463 . 0 0 "[ . 1 . 2]" 1
827 1 40 VAL HB 1 69 PHE QE . . 4.560 4.011 3.378 4.536 . 0 0 "[ . 1 . 2]" 1
828 1 40 VAL MG1 1 41 ILE H . . 3.400 2.962 2.635 3.278 . 0 0 "[ . 1 . 2]" 1
829 1 40 VAL MG1 1 42 GLU H . . 3.520 2.917 2.590 3.237 . 0 0 "[ . 1 . 2]" 1
830 1 40 VAL MG1 1 50 VAL HA . . 5.000 4.378 4.058 4.854 . 0 0 "[ . 1 . 2]" 1
831 1 40 VAL MG1 1 50 VAL HB . . 3.050 2.435 2.128 2.793 . 0 0 "[ . 1 . 2]" 1
832 1 40 VAL MG1 1 51 LYS H . . 3.880 3.220 2.744 3.834 . 0 0 "[ . 1 . 2]" 1
833 1 40 VAL MG1 1 52 ALA HA . . 4.310 4.065 3.693 4.313 0.003 19 0 "[ . 1 . 2]" 1
834 1 40 VAL MG1 1 69 PHE QE . . 3.880 3.234 2.838 3.754 . 0 0 "[ . 1 . 2]" 1
835 1 40 VAL MG1 1 69 PHE HZ . . 4.000 2.647 2.289 2.968 . 0 0 "[ . 1 . 2]" 1
836 1 40 VAL MG2 1 41 ILE H . . 4.160 4.145 4.074 4.165 0.005 19 0 "[ . 1 . 2]" 1
837 1 40 VAL MG2 1 52 ALA HA . . 4.080 3.741 3.526 3.989 . 0 0 "[ . 1 . 2]" 1
838 1 40 VAL MG2 1 52 ALA MB . . 3.220 2.244 1.988 2.572 . 0 0 "[ . 1 . 2]" 1
839 1 40 VAL MG2 1 67 LEU MD1 . . 2.970 2.556 2.283 2.878 . 0 0 "[ . 1 . 2]" 1
840 1 40 VAL MG2 1 69 PHE QE . . 3.770 2.925 2.660 3.333 . 0 0 "[ . 1 . 2]" 1
841 1 40 VAL MG2 1 69 PHE HZ . . 3.940 2.420 2.062 2.864 . 0 0 "[ . 1 . 2]" 1
842 1 41 ILE H 1 41 ILE HB . . 3.980 3.676 3.653 3.704 . 0 0 "[ . 1 . 2]" 1
843 1 41 ILE H 1 41 ILE MD . . 3.740 3.620 3.498 3.686 . 0 0 "[ . 1 . 2]" 1
844 1 41 ILE H 1 41 ILE HG12 . . 3.120 1.937 1.902 2.035 . 0 0 "[ . 1 . 2]" 1
845 1 41 ILE H 1 41 ILE HG13 . . 3.660 2.925 2.680 3.251 . 0 0 "[ . 1 . 2]" 1
846 1 41 ILE H 1 41 ILE MG . . 3.630 2.732 2.435 3.002 . 0 0 "[ . 1 . 2]" 1
847 1 41 ILE H 1 42 GLU H . . 3.010 2.168 1.975 2.345 . 0 0 "[ . 1 . 2]" 1
848 1 41 ILE H 1 42 GLU HB2 . . 5.230 4.504 4.335 4.699 . 0 0 "[ . 1 . 2]" 1
849 1 41 ILE H 1 51 LYS HG2 . . 5.210 4.950 4.631 5.119 . 0 0 "[ . 1 . 2]" 1
850 1 41 ILE H 1 52 ALA HA . . 3.410 2.810 2.611 2.985 . 0 0 "[ . 1 . 2]" 1
851 1 41 ILE H 1 52 ALA MB . . 4.120 3.979 3.691 4.124 0.004 4 0 "[ . 1 . 2]" 1
852 1 41 ILE H 1 53 ARG H . . 4.540 4.293 4.090 4.539 . 0 0 "[ . 1 . 2]" 1
853 1 41 ILE HA 1 41 ILE MD . . 4.230 4.171 4.156 4.179 . 0 0 "[ . 1 . 2]" 1
854 1 41 ILE HA 1 41 ILE HG12 . . 3.850 3.692 3.632 3.734 . 0 0 "[ . 1 . 2]" 1
855 1 41 ILE HA 1 41 ILE MG . . 3.080 2.252 2.158 2.397 . 0 0 "[ . 1 . 2]" 1
856 1 41 ILE HB 1 41 ILE MD . . 2.890 2.377 2.301 2.484 . 0 0 "[ . 1 . 2]" 1
857 1 41 ILE HB 1 42 GLU H . . 4.080 3.764 3.591 4.002 . 0 0 "[ . 1 . 2]" 1
858 1 41 ILE HB 1 42 GLU QG . . 4.560 3.517 3.072 4.473 . 0 0 "[ . 1 . 2]" 1
859 1 41 ILE MD 1 42 GLU H . . 4.240 3.842 3.577 4.117 . 0 0 "[ . 1 . 2]" 1
860 1 41 ILE MD 1 42 GLU HB2 . . 4.190 3.755 3.440 3.961 . 0 0 "[ . 1 . 2]" 1
861 1 41 ILE MD 1 42 GLU HB3 . . 5.380 5.180 4.927 5.370 . 0 0 "[ . 1 . 2]" 1
862 1 41 ILE MD 1 42 GLU QG . . 4.370 3.559 3.193 4.105 . 0 0 "[ . 1 . 2]" 1
863 1 41 ILE MD 1 51 LYS HB3 . . 4.020 3.736 3.566 4.024 0.004 4 0 "[ . 1 . 2]" 1
864 1 41 ILE MD 1 51 LYS HD2 . . 4.460 4.107 2.893 4.443 . 0 0 "[ . 1 . 2]" 1
865 1 41 ILE MD 1 51 LYS QD . . 3.860 2.772 2.513 2.981 . 0 0 "[ . 1 . 2]" 1
866 1 41 ILE MD 1 51 LYS HD3 . . 4.460 2.863 2.538 3.628 . 0 0 "[ . 1 . 2]" 1
867 1 41 ILE MD 1 51 LYS QE . . 4.620 4.232 3.825 4.626 0.006 20 0 "[ . 1 . 2]" 1
868 1 41 ILE MD 1 52 ALA HA . . 4.400 4.199 3.949 4.397 . 0 0 "[ . 1 . 2]" 1
869 1 41 ILE MD 1 53 ARG H . . 4.470 4.281 3.959 4.467 . 0 0 "[ . 1 . 2]" 1
870 1 41 ILE MD 1 53 ARG HB2 . . 3.530 3.067 2.669 3.303 . 0 0 "[ . 1 . 2]" 1
871 1 41 ILE MD 1 53 ARG QD . . 4.120 3.928 3.299 4.120 0.000 18 0 "[ . 1 . 2]" 1
872 1 41 ILE HG12 1 42 GLU H . . 3.850 2.678 2.188 2.991 . 0 0 "[ . 1 . 2]" 1
873 1 41 ILE HG12 1 42 GLU HB2 . . 4.780 3.965 3.508 4.300 . 0 0 "[ . 1 . 2]" 1
874 1 41 ILE HG12 1 51 LYS HB3 . . 4.420 3.382 2.930 3.557 . 0 0 "[ . 1 . 2]" 1
875 1 41 ILE HG12 1 51 LYS HG2 . . 4.190 3.817 3.380 4.032 . 0 0 "[ . 1 . 2]" 1
876 1 41 ILE HG12 1 52 ALA HA . . 3.610 3.168 2.812 3.376 . 0 0 "[ . 1 . 2]" 1
877 1 41 ILE HG12 1 53 ARG H . . 4.870 4.153 3.812 4.558 . 0 0 "[ . 1 . 2]" 1
878 1 41 ILE HG13 1 41 ILE MG . . 3.550 3.192 3.179 3.202 . 0 0 "[ . 1 . 2]" 1
879 1 41 ILE HG13 1 42 GLU H . . 3.770 2.262 1.916 2.784 . 0 0 "[ . 1 . 2]" 1
880 1 41 ILE HG13 1 42 GLU HB2 . . 4.060 2.621 2.330 2.863 . 0 0 "[ . 1 . 2]" 1
881 1 41 ILE HG13 1 42 GLU HB3 . . 4.530 4.236 3.977 4.417 . 0 0 "[ . 1 . 2]" 1
882 1 41 ILE HG13 1 42 GLU HG2 . . 4.550 3.469 2.620 4.470 . 0 0 "[ . 1 . 2]" 1
883 1 41 ILE HG13 1 42 GLU HG3 . . 4.550 3.434 2.457 4.218 . 0 0 "[ . 1 . 2]" 1
884 1 41 ILE HG13 1 51 LYS HB3 . . 4.100 2.951 2.554 3.259 . 0 0 "[ . 1 . 2]" 1
885 1 41 ILE HG13 1 51 LYS QD . . 4.010 3.325 2.985 3.591 . 0 0 "[ . 1 . 2]" 1
886 1 41 ILE HG13 1 51 LYS HG2 . . 4.450 3.956 3.363 4.295 . 0 0 "[ . 1 . 2]" 1
887 1 41 ILE HG13 1 52 ALA HA . . 5.040 4.704 4.280 5.002 . 0 0 "[ . 1 . 2]" 1
888 1 41 ILE MG 1 42 GLU H . . 4.450 3.991 3.772 4.135 . 0 0 "[ . 1 . 2]" 1
889 1 41 ILE MG 1 42 GLU HB2 . . 5.500 5.296 5.074 5.492 . 0 0 "[ . 1 . 2]" 1
890 1 41 ILE MG 1 52 ALA HA . . 4.110 3.942 3.708 4.102 . 0 0 "[ . 1 . 2]" 1
891 1 41 ILE MG 1 53 ARG H . . 4.080 3.846 3.530 4.073 . 0 0 "[ . 1 . 2]" 1
892 1 41 ILE MG 1 53 ARG HB2 . . 4.050 3.831 3.401 4.036 . 0 0 "[ . 1 . 2]" 1
893 1 41 ILE MG 1 53 ARG QD . . 5.340 4.175 3.727 4.519 . 0 0 "[ . 1 . 2]" 1
894 1 42 GLU H 1 42 GLU HB2 . . 4.000 2.593 2.479 2.746 . 0 0 "[ . 1 . 2]" 1
895 1 42 GLU H 1 42 GLU HG2 . . 4.680 3.946 3.351 4.654 . 0 0 "[ . 1 . 2]" 1
896 1 42 GLU H 1 42 GLU QG . . 4.060 3.487 3.192 3.953 . 0 0 "[ . 1 . 2]" 1
897 1 42 GLU H 1 42 GLU HG3 . . 4.680 4.184 3.274 4.679 . 0 0 "[ . 1 . 2]" 1
898 1 42 GLU H 1 43 ASP H . . 5.140 4.443 4.403 4.470 . 0 0 "[ . 1 . 2]" 1
899 1 42 GLU H 1 50 VAL HB . . 5.050 4.837 4.476 5.054 0.004 4 0 "[ . 1 . 2]" 1
900 1 42 GLU H 1 51 LYS H . . 3.920 3.580 3.278 3.806 . 0 0 "[ . 1 . 2]" 1
901 1 42 GLU H 1 51 LYS HB2 . . 4.370 3.996 3.757 4.153 . 0 0 "[ . 1 . 2]" 1
902 1 42 GLU H 1 51 LYS HB3 . . 3.870 2.531 2.363 2.796 . 0 0 "[ . 1 . 2]" 1
903 1 42 GLU H 1 52 ALA HA . . 4.830 4.276 3.993 4.435 . 0 0 "[ . 1 . 2]" 1
904 1 42 GLU HA 1 42 GLU HG2 . . 4.070 2.627 2.229 3.579 . 0 0 "[ . 1 . 2]" 1
905 1 42 GLU HA 1 42 GLU QG . . 3.240 2.467 2.170 2.780 . 0 0 "[ . 1 . 2]" 1
906 1 42 GLU HA 1 42 GLU HG3 . . 4.070 3.306 2.296 3.677 . 0 0 "[ . 1 . 2]" 1
907 1 42 GLU HA 1 43 ASP H . . 3.010 2.426 2.347 2.494 . 0 0 "[ . 1 . 2]" 1
908 1 42 GLU HB2 1 43 ASP H . . 4.170 3.798 3.621 3.975 . 0 0 "[ . 1 . 2]" 1
909 1 42 GLU HB2 1 44 GLY H . . 4.690 3.322 2.957 3.772 . 0 0 "[ . 1 . 2]" 1
910 1 42 GLU HB2 1 51 LYS H . . 4.590 3.983 3.714 4.311 . 0 0 "[ . 1 . 2]" 1
911 1 42 GLU HB2 1 51 LYS HB2 . . 4.040 2.809 2.596 3.064 . 0 0 "[ . 1 . 2]" 1
912 1 42 GLU HB2 1 51 LYS HB3 . . 3.800 2.035 1.993 2.212 . 0 0 "[ . 1 . 2]" 1
913 1 42 GLU HB2 1 51 LYS HD2 . . 4.330 2.677 1.992 3.086 . 0 0 "[ . 1 . 2]" 1
914 1 42 GLU HB2 1 51 LYS HD3 . . 4.330 3.134 2.864 3.698 . 0 0 "[ . 1 . 2]" 1
915 1 42 GLU HB3 1 43 ASP H . . 3.810 2.421 2.228 2.642 . 0 0 "[ . 1 . 2]" 1
916 1 42 GLU HB3 1 51 LYS HB2 . . 4.300 3.271 2.992 3.637 . 0 0 "[ . 1 . 2]" 1
917 1 42 GLU HB3 1 51 LYS HB3 . . 3.760 3.299 2.822 3.621 . 0 0 "[ . 1 . 2]" 1
918 1 42 GLU HB3 1 51 LYS HD2 . . 4.630 3.447 2.879 3.982 . 0 0 "[ . 1 . 2]" 1
919 1 42 GLU HB3 1 51 LYS HD3 . . 4.630 4.436 4.131 4.647 0.017 4 0 "[ . 1 . 2]" 1
920 1 42 GLU QG 1 43 ASP H . . 4.040 3.747 3.250 4.038 . 0 0 "[ . 1 . 2]" 1
921 1 42 GLU QG 1 51 LYS HB2 . . 4.840 4.540 4.259 4.844 0.004 19 0 "[ . 1 . 2]" 1
922 1 42 GLU QG 1 51 LYS HB3 . . 4.130 3.904 3.699 4.129 . 0 0 "[ . 1 . 2]" 1
923 1 42 GLU QG 1 51 LYS QD . . 4.170 3.329 2.893 3.974 . 0 0 "[ . 1 . 2]" 1
924 1 42 GLU HG2 1 43 ASP H . . 4.870 4.111 3.327 4.599 . 0 0 "[ . 1 . 2]" 1
925 1 42 GLU HG2 1 51 LYS HB2 . . 5.500 5.346 4.688 5.509 0.009 20 0 "[ . 1 . 2]" 1
926 1 42 GLU HG3 1 43 ASP H . . 4.870 4.481 3.558 4.740 . 0 0 "[ . 1 . 2]" 1
927 1 42 GLU HG3 1 51 LYS HB2 . . 5.500 4.938 4.516 5.484 . 0 0 "[ . 1 . 2]" 1
928 1 43 ASP H 1 43 ASP HB2 . . 3.850 3.398 2.563 3.653 . 0 0 "[ . 1 . 2]" 1
929 1 43 ASP H 1 43 ASP QB . . 3.200 2.782 2.296 2.977 . 0 0 "[ . 1 . 2]" 1
930 1 43 ASP H 1 43 ASP HB3 . . 3.850 3.002 2.373 3.601 . 0 0 "[ . 1 . 2]" 1
931 1 43 ASP H 1 44 GLY H . . 4.100 2.905 2.503 3.281 . 0 0 "[ . 1 . 2]" 1
932 1 43 ASP HA 1 44 GLY H . . 3.300 2.911 2.665 3.121 . 0 0 "[ . 1 . 2]" 1
933 1 43 ASP HA 1 50 VAL HA . . 4.470 2.816 2.412 3.248 . 0 0 "[ . 1 . 2]" 1
934 1 43 ASP HA 1 50 VAL MG1 . . 3.330 2.356 1.980 2.830 . 0 0 "[ . 1 . 2]" 1
935 1 43 ASP HA 1 51 LYS H . . 4.470 3.114 2.666 3.516 . 0 0 "[ . 1 . 2]" 1
936 1 43 ASP QB 1 44 GLY H . . 4.000 3.948 3.663 4.034 0.034 15 0 "[ . 1 . 2]" 1
937 1 43 ASP QB 1 50 VAL MG1 . . 4.130 3.203 2.674 4.109 . 0 0 "[ . 1 . 2]" 1
938 1 43 ASP HB2 1 44 GLY H . . 4.720 4.379 3.858 4.596 . 0 0 "[ . 1 . 2]" 1
939 1 43 ASP HB2 1 50 VAL MG1 . . 4.740 3.590 3.012 4.566 . 0 0 "[ . 1 . 2]" 1
940 1 43 ASP HB3 1 44 GLY H . . 4.720 4.536 3.952 4.673 . 0 0 "[ . 1 . 2]" 1
941 1 43 ASP HB3 1 50 VAL MG1 . . 4.740 3.690 2.984 4.663 . 0 0 "[ . 1 . 2]" 1
942 1 44 GLY H 1 45 ASP H . . 4.660 4.607 4.530 4.647 . 0 0 "[ . 1 . 2]" 1
943 1 44 GLY H 1 50 VAL HA . . 3.840 2.949 2.550 3.493 . 0 0 "[ . 1 . 2]" 1
944 1 44 GLY H 1 50 VAL MG1 . . 4.520 4.255 3.921 4.509 . 0 0 "[ . 1 . 2]" 1
945 1 44 GLY QA 1 46 MET H . . 3.910 3.288 3.054 3.686 . 0 0 "[ . 1 . 2]" 1
946 1 44 GLY QA 1 49 TRP HB2 . . 4.610 3.876 3.490 4.255 . 0 0 "[ . 1 . 2]" 1
947 1 44 GLY QA 1 50 VAL HA . . 3.940 2.486 2.114 2.919 . 0 0 "[ . 1 . 2]" 1
948 1 44 GLY QA 1 61 TYR QD . . 3.930 2.498 2.023 2.985 . 0 0 "[ . 1 . 2]" 1
949 1 44 GLY QA 1 61 TYR QE . . 3.430 2.165 1.977 2.535 . 0 0 "[ . 1 . 2]" 1
950 1 44 GLY HA2 1 46 MET H . . 4.610 4.433 4.201 4.614 0.004 18 0 "[ . 1 . 2]" 1
951 1 44 GLY HA2 1 50 VAL HA . . 4.570 3.689 3.228 4.270 . 0 0 "[ . 1 . 2]" 1
952 1 44 GLY HA2 1 61 TYR QD . . 4.680 2.755 2.088 3.338 . 0 0 "[ . 1 . 2]" 1
953 1 44 GLY HA2 1 61 TYR QE . . 4.050 2.189 1.998 2.564 . 0 0 "[ . 1 . 2]" 1
954 1 44 GLY HA3 1 46 MET H . . 4.610 3.393 3.128 3.906 . 0 0 "[ . 1 . 2]" 1
955 1 44 GLY HA3 1 50 VAL HA . . 4.570 2.528 2.144 2.972 . 0 0 "[ . 1 . 2]" 1
956 1 44 GLY HA3 1 61 TYR QD . . 4.680 2.947 2.532 3.514 . 0 0 "[ . 1 . 2]" 1
957 1 44 GLY HA3 1 61 TYR QE . . 4.050 3.478 3.030 3.998 . 0 0 "[ . 1 . 2]" 1
958 1 45 ASP H 1 46 MET H . . 3.500 2.271 1.807 2.598 . 0 0 "[ . 1 . 2]" 1
959 1 45 ASP H 1 61 TYR QE . . 4.800 3.044 2.430 3.693 . 0 0 "[ . 1 . 2]" 1
960 1 45 ASP QB 1 46 MET H . . 4.120 3.098 2.624 4.024 . 0 0 "[ . 1 . 2]" 1
961 1 45 ASP HB2 1 46 MET H . . 4.720 3.731 2.723 4.522 . 0 0 "[ . 1 . 2]" 1
962 1 45 ASP HB3 1 46 MET H . . 4.720 3.511 2.681 4.511 . 0 0 "[ . 1 . 2]" 1
963 1 46 MET H 1 46 MET HB2 . . 4.080 2.499 2.254 2.983 . 0 0 "[ . 1 . 2]" 1
964 1 46 MET H 1 46 MET QB . . 3.470 2.411 2.195 2.889 . 0 0 "[ . 1 . 2]" 1
965 1 46 MET H 1 46 MET HB3 . . 4.080 3.291 2.662 3.878 . 0 0 "[ . 1 . 2]" 1
966 1 46 MET H 1 46 MET QG . . 4.110 3.404 2.070 4.116 0.006 5 0 "[ . 1 . 2]" 1
967 1 46 MET H 1 47 GLU H . . 4.820 4.520 4.387 4.626 . 0 0 "[ . 1 . 2]" 1
968 1 46 MET H 1 49 TRP HB2 . . 4.440 3.034 2.449 3.626 . 0 0 "[ . 1 . 2]" 1
969 1 46 MET HA 1 46 MET QG . . 3.610 2.537 2.138 3.123 . 0 0 "[ . 1 . 2]" 1
970 1 46 MET HA 1 47 GLU H . . 2.950 2.453 2.193 2.650 . 0 0 "[ . 1 . 2]" 1
971 1 46 MET HA 1 47 GLU QB . . 4.730 4.505 4.287 4.720 . 0 0 "[ . 1 . 2]" 1
972 1 46 MET HA 1 47 GLU QG . . 4.700 4.021 3.315 4.666 . 0 0 "[ . 1 . 2]" 1
973 1 46 MET QB 1 46 MET ME . . 3.440 2.536 1.969 3.356 . 0 0 "[ . 1 . 2]" 1
974 1 46 MET QB 1 47 GLU H . . 3.650 2.685 1.980 3.330 . 0 0 "[ . 1 . 2]" 1
975 1 46 MET QB 1 49 TRP H . . 4.550 2.777 2.296 4.018 . 0 0 "[ . 1 . 2]" 1
976 1 46 MET QB 1 49 TRP HB2 . . 3.600 2.013 1.918 2.134 . 0 0 "[ . 1 . 2]" 1
977 1 46 MET QB 1 49 TRP HB3 . . 4.650 3.548 3.028 3.740 . 0 0 "[ . 1 . 2]" 1
978 1 46 MET QB 1 49 TRP HD1 . . 3.810 2.181 1.841 2.676 . 0 0 "[ . 1 . 2]" 1
979 1 46 MET HB2 1 46 MET ME . . 3.930 2.978 1.994 3.908 . 0 0 "[ . 1 . 2]" 1
980 1 46 MET HB2 1 47 GLU H . . 4.160 3.669 2.785 4.146 . 0 0 "[ . 1 . 2]" 1
981 1 46 MET HB2 1 49 TRP HB2 . . 4.380 2.472 1.997 3.532 . 0 0 "[ . 1 . 2]" 1
982 1 46 MET HB2 1 49 TRP HB3 . . 5.340 4.002 3.676 4.904 . 0 0 "[ . 1 . 2]" 1
983 1 46 MET HB2 1 49 TRP HD1 . . 4.340 2.942 2.020 3.925 . 0 0 "[ . 1 . 2]" 1
984 1 46 MET HB3 1 46 MET ME . . 3.930 3.119 2.012 3.928 . 0 0 "[ . 1 . 2]" 1
985 1 46 MET HB3 1 47 GLU H . . 4.160 2.780 2.003 3.567 . 0 0 "[ . 1 . 2]" 1
986 1 46 MET HB3 1 49 TRP HB2 . . 4.380 2.831 1.993 3.735 . 0 0 "[ . 1 . 2]" 1
987 1 46 MET HB3 1 49 TRP HB3 . . 5.340 4.446 3.089 5.341 0.001 17 0 "[ . 1 . 2]" 1
988 1 46 MET HB3 1 49 TRP HD1 . . 4.340 2.429 1.999 2.986 . 0 0 "[ . 1 . 2]" 1
989 1 46 MET ME 1 49 TRP HB2 . . 4.690 4.238 3.281 4.663 . 0 0 "[ . 1 . 2]" 1
990 1 46 MET ME 1 49 TRP HB3 . . 5.500 5.013 3.219 5.504 0.004 18 0 "[ . 1 . 2]" 1
991 1 46 MET ME 1 49 TRP HD1 . . 4.590 3.499 1.989 4.375 . 0 0 "[ . 1 . 2]" 1
992 1 46 MET ME 1 49 TRP HE1 . . 4.690 3.542 1.929 4.558 . 0 0 "[ . 1 . 2]" 1
993 1 46 MET QG 1 47 GLU H . . 4.340 3.013 1.845 4.212 . 0 0 "[ . 1 . 2]" 1
994 1 46 MET QG 1 49 TRP H . . 4.770 4.259 2.977 4.772 0.002 20 0 "[ . 1 . 2]" 1
995 1 46 MET QG 1 49 TRP HB2 . . 4.100 3.466 2.164 3.945 . 0 0 "[ . 1 . 2]" 1
996 1 46 MET QG 1 49 TRP HB3 . . 5.310 4.719 3.067 5.312 0.002 8 0 "[ . 1 . 2]" 1
997 1 46 MET QG 1 49 TRP HD1 . . 3.750 2.935 1.994 3.754 0.004 20 0 "[ . 1 . 2]" 1
998 1 46 MET QG 1 49 TRP HE1 . . 4.850 3.981 2.812 4.850 0.000 20 0 "[ . 1 . 2]" 1
999 1 47 GLU H 1 47 GLU QB . . 3.110 2.495 2.196 2.872 . 0 0 "[ . 1 . 2]" 1
1000 1 47 GLU H 1 47 GLU QG . . 3.810 2.378 1.911 3.383 . 0 0 "[ . 1 . 2]" 1
1001 1 47 GLU H 1 48 ASP H . . 4.500 2.582 2.112 4.512 0.012 16 0 "[ . 1 . 2]" 1
1002 1 47 GLU HA 1 47 GLU QG . . 3.590 2.943 2.235 3.461 . 0 0 "[ . 1 . 2]" 1
1003 1 47 GLU HA 1 48 ASP HA . . 4.780 4.617 4.370 4.803 0.023 13 0 "[ . 1 . 2]" 1
1004 1 47 GLU HA 1 49 TRP H . . 4.330 4.054 3.541 4.304 . 0 0 "[ . 1 . 2]" 1
1005 1 47 GLU QB 1 48 ASP H . . 3.740 2.998 2.153 3.728 . 0 0 "[ . 1 . 2]" 1
1006 1 47 GLU QG 1 48 ASP H . . 4.250 3.400 1.971 4.235 . 0 0 "[ . 1 . 2]" 1
1007 1 48 ASP H 1 49 TRP H . . 3.300 2.623 2.144 3.227 . 0 0 "[ . 1 . 2]" 1
1008 1 48 ASP H 1 49 TRP HD1 . . 5.100 2.929 1.944 4.416 . 0 0 "[ . 1 . 2]" 1
1009 1 48 ASP HA 1 64 GLU H . . 4.940 4.631 4.146 4.901 . 0 0 "[ . 1 . 2]" 1
1010 1 48 ASP HA 1 64 GLU QB . . 4.250 4.074 3.696 4.251 0.001 4 0 "[ . 1 . 2]" 1
1011 1 48 ASP QB 1 49 TRP H . . 4.330 3.450 2.733 4.040 . 0 0 "[ . 1 . 2]" 1
1012 1 48 ASP QB 1 49 TRP HD1 . . 3.860 2.761 2.012 3.607 . 0 0 "[ . 1 . 2]" 1
1013 1 48 ASP QB 1 49 TRP HE1 . . 4.550 3.450 2.495 4.392 . 0 0 "[ . 1 . 2]" 1
1014 1 48 ASP HB2 1 49 TRP HD1 . . 4.690 3.539 2.024 4.686 . 0 0 "[ . 1 . 2]" 1
1015 1 48 ASP HB3 1 49 TRP HD1 . . 4.690 3.311 2.352 4.507 . 0 0 "[ . 1 . 2]" 1
1016 1 49 TRP H 1 49 TRP HB2 . . 3.350 2.700 2.369 2.978 . 0 0 "[ . 1 . 2]" 1
1017 1 49 TRP H 1 49 TRP HB3 . . 4.070 3.795 3.603 3.960 . 0 0 "[ . 1 . 2]" 1
1018 1 49 TRP H 1 49 TRP HD1 . . 3.730 2.737 2.089 3.450 . 0 0 "[ . 1 . 2]" 1
1019 1 49 TRP H 1 50 VAL H . . 4.690 4.445 4.279 4.586 . 0 0 "[ . 1 . 2]" 1
1020 1 49 TRP HA 1 49 TRP HD1 . . 4.740 3.795 3.581 4.110 . 0 0 "[ . 1 . 2]" 1
1021 1 49 TRP HA 1 49 TRP HE3 . . 4.370 3.759 3.118 4.031 . 0 0 "[ . 1 . 2]" 1
1022 1 49 TRP HA 1 50 VAL H . . 2.970 2.338 2.219 2.555 . 0 0 "[ . 1 . 2]" 1
1023 1 49 TRP HA 1 50 VAL MG1 . . 4.370 3.586 3.328 3.840 . 0 0 "[ . 1 . 2]" 1
1024 1 49 TRP HA 1 50 VAL MG2 . . 4.190 3.618 3.427 3.785 . 0 0 "[ . 1 . 2]" 1
1025 1 49 TRP HA 1 62 VAL H . . 4.810 4.318 3.815 4.635 . 0 0 "[ . 1 . 2]" 1
1026 1 49 TRP HA 1 63 PRO HA . . 3.280 2.598 2.241 2.961 . 0 0 "[ . 1 . 2]" 1
1027 1 49 TRP HA 1 64 GLU H . . 3.250 2.758 2.201 3.250 . 0 0 "[ . 1 . 2]" 1
1028 1 49 TRP HA 1 64 GLU QB . . 4.280 3.755 3.391 4.235 . 0 0 "[ . 1 . 2]" 1
1029 1 49 TRP HB2 1 50 VAL H . . 4.090 3.757 3.296 4.089 . 0 0 "[ . 1 . 2]" 1
1030 1 49 TRP HB2 1 61 TYR HB3 . . 4.340 3.729 2.948 4.281 . 0 0 "[ . 1 . 2]" 1
1031 1 49 TRP HB2 1 61 TYR QD . . 5.020 4.749 4.334 5.019 . 0 0 "[ . 1 . 2]" 1
1032 1 49 TRP HB2 1 62 VAL H . . 5.500 5.022 4.545 5.455 . 0 0 "[ . 1 . 2]" 1
1033 1 49 TRP HB3 1 49 TRP HE3 . . 3.790 2.434 2.399 2.603 . 0 0 "[ . 1 . 2]" 1
1034 1 49 TRP HB3 1 50 VAL H . . 3.550 2.629 2.145 2.978 . 0 0 "[ . 1 . 2]" 1
1035 1 49 TRP HB3 1 61 TYR HB2 . . 4.670 4.334 3.769 4.638 . 0 0 "[ . 1 . 2]" 1
1036 1 49 TRP HB3 1 61 TYR HB3 . . 4.090 2.696 2.166 3.026 . 0 0 "[ . 1 . 2]" 1
1037 1 49 TRP HB3 1 61 TYR QD . . 4.400 4.150 3.877 4.374 . 0 0 "[ . 1 . 2]" 1
1038 1 49 TRP HB3 1 62 VAL H . . 4.510 3.369 2.874 3.723 . 0 0 "[ . 1 . 2]" 1
1039 1 49 TRP HE3 1 50 VAL H . . 4.580 3.838 3.242 4.525 . 0 0 "[ . 1 . 2]" 1
1040 1 49 TRP HE3 1 61 TYR HA . . 4.920 3.978 3.533 4.494 . 0 0 "[ . 1 . 2]" 1
1041 1 49 TRP HE3 1 61 TYR HB2 . . 4.020 3.552 3.194 3.935 . 0 0 "[ . 1 . 2]" 1
1042 1 49 TRP HE3 1 61 TYR HB3 . . 3.590 2.722 2.250 3.366 . 0 0 "[ . 1 . 2]" 1
1043 1 49 TRP HE3 1 62 VAL H . . 4.020 3.007 2.544 3.751 . 0 0 "[ . 1 . 2]" 1
1044 1 49 TRP HE3 1 62 VAL HA . . 4.170 2.610 2.280 3.001 . 0 0 "[ . 1 . 2]" 1
1045 1 49 TRP HE3 1 63 PRO QD . . 4.290 3.217 2.743 3.699 . 0 0 "[ . 1 . 2]" 1
1046 1 49 TRP HH2 1 63 PRO QD . . 4.580 3.358 2.974 3.769 . 0 0 "[ . 1 . 2]" 1
1047 1 49 TRP HH2 1 63 PRO HG3 . . 4.440 4.279 3.993 4.439 . 0 0 "[ . 1 . 2]" 1
1048 1 49 TRP HZ2 1 63 PRO HG3 . . 5.500 5.249 4.838 5.504 0.004 20 0 "[ . 1 . 2]" 1
1049 1 49 TRP HZ3 1 62 VAL HA . . 3.900 2.573 2.013 3.140 . 0 0 "[ . 1 . 2]" 1
1050 1 49 TRP HZ3 1 63 PRO HD2 . . 4.210 3.749 3.461 4.180 . 0 0 "[ . 1 . 2]" 1
1051 1 49 TRP HZ3 1 63 PRO QD . . 3.630 2.336 2.037 2.675 . 0 0 "[ . 1 . 2]" 1
1052 1 49 TRP HZ3 1 63 PRO HD3 . . 4.210 2.361 2.048 2.709 . 0 0 "[ . 1 . 2]" 1
1053 1 49 TRP HZ3 1 63 PRO HG3 . . 4.710 4.364 3.854 4.706 . 0 0 "[ . 1 . 2]" 1
1054 1 50 VAL H 1 50 VAL MG1 . . 3.770 3.089 2.826 3.326 . 0 0 "[ . 1 . 2]" 1
1055 1 50 VAL H 1 50 VAL MG2 . . 3.170 2.219 1.883 2.498 . 0 0 "[ . 1 . 2]" 1
1056 1 50 VAL H 1 51 LYS H . . 4.940 4.422 4.377 4.466 . 0 0 "[ . 1 . 2]" 1
1057 1 50 VAL H 1 61 TYR HA . . 4.560 4.077 3.864 4.292 . 0 0 "[ . 1 . 2]" 1
1058 1 50 VAL H 1 61 TYR HB3 . . 4.630 4.298 3.967 4.628 . 0 0 "[ . 1 . 2]" 1
1059 1 50 VAL H 1 61 TYR QD . . 4.780 4.567 4.329 4.765 . 0 0 "[ . 1 . 2]" 1
1060 1 50 VAL H 1 62 VAL H . . 3.460 2.669 2.316 3.060 . 0 0 "[ . 1 . 2]" 1
1061 1 50 VAL H 1 62 VAL MG2 . . 3.930 3.143 2.755 3.504 . 0 0 "[ . 1 . 2]" 1
1062 1 50 VAL H 1 63 PRO HA . . 4.270 4.060 3.862 4.235 . 0 0 "[ . 1 . 2]" 1
1063 1 50 VAL H 1 64 GLU H . . 4.360 3.940 3.395 4.298 . 0 0 "[ . 1 . 2]" 1
1064 1 50 VAL H 1 64 GLU HA . . 5.360 5.005 4.439 5.322 . 0 0 "[ . 1 . 2]" 1
1065 1 50 VAL H 1 64 GLU QB . . 4.690 4.286 3.891 4.609 . 0 0 "[ . 1 . 2]" 1
1066 1 50 VAL HA 1 50 VAL MG1 . . 3.150 2.311 2.211 2.406 . 0 0 "[ . 1 . 2]" 1
1067 1 50 VAL HA 1 51 LYS H . . 3.080 2.438 2.334 2.641 . 0 0 "[ . 1 . 2]" 1
1068 1 50 VAL HA 1 51 LYS HB2 . . 5.020 4.152 4.114 4.236 . 0 0 "[ . 1 . 2]" 1
1069 1 50 VAL HA 1 61 TYR QD . . 4.750 4.404 4.085 4.657 . 0 0 "[ . 1 . 2]" 1
1070 1 50 VAL HB 1 51 LYS H . . 3.100 2.311 1.931 2.546 . 0 0 "[ . 1 . 2]" 1
1071 1 50 VAL HB 1 62 VAL MG2 . . 4.670 4.408 3.999 4.671 0.001 9 0 "[ . 1 . 2]" 1
1072 1 50 VAL HB 1 67 LEU MD1 . . 4.880 4.079 3.869 4.406 . 0 0 "[ . 1 . 2]" 1
1073 1 50 VAL HB 1 69 PHE QE . . 5.500 4.919 4.477 5.299 . 0 0 "[ . 1 . 2]" 1
1074 1 50 VAL MG1 1 51 LYS H . . 3.860 3.588 3.386 3.719 . 0 0 "[ . 1 . 2]" 1
1075 1 50 VAL MG1 1 64 GLU H . . 4.850 3.803 3.325 4.471 . 0 0 "[ . 1 . 2]" 1
1076 1 50 VAL MG1 1 64 GLU HA . . 4.310 3.833 3.525 4.184 . 0 0 "[ . 1 . 2]" 1
1077 1 50 VAL MG1 1 64 GLU QB . . 3.550 2.417 2.047 2.827 . 0 0 "[ . 1 . 2]" 1
1078 1 50 VAL MG1 1 64 GLU HG2 . . 4.320 3.760 2.735 4.301 . 0 0 "[ . 1 . 2]" 1
1079 1 50 VAL MG1 1 64 GLU QG . . 3.470 2.616 2.152 3.181 . 0 0 "[ . 1 . 2]" 1
1080 1 50 VAL MG1 1 64 GLU HG3 . . 4.320 2.709 2.167 3.309 . 0 0 "[ . 1 . 2]" 1
1081 1 50 VAL MG1 1 67 LEU MD1 . . 3.980 3.598 3.258 3.779 . 0 0 "[ . 1 . 2]" 1
1082 1 50 VAL MG1 1 69 PHE QE . . 5.500 3.641 3.288 3.925 . 0 0 "[ . 1 . 2]" 1
1083 1 50 VAL MG1 1 69 PHE HZ . . 3.510 2.776 2.302 3.170 . 0 0 "[ . 1 . 2]" 1
1084 1 50 VAL MG2 1 51 LYS H . . 3.900 3.419 2.975 3.750 . 0 0 "[ . 1 . 2]" 1
1085 1 50 VAL MG2 1 62 VAL H . . 4.170 3.262 3.057 3.605 . 0 0 "[ . 1 . 2]" 1
1086 1 50 VAL MG2 1 64 GLU H . . 3.980 3.443 2.666 3.950 . 0 0 "[ . 1 . 2]" 1
1087 1 50 VAL MG2 1 64 GLU HA . . 3.600 2.842 2.365 3.254 . 0 0 "[ . 1 . 2]" 1
1088 1 50 VAL MG2 1 64 GLU QB . . 3.770 2.808 2.209 3.300 . 0 0 "[ . 1 . 2]" 1
1089 1 50 VAL MG2 1 64 GLU HG2 . . 4.470 3.765 2.785 4.303 . 0 0 "[ . 1 . 2]" 1
1090 1 50 VAL MG2 1 64 GLU QG . . 3.750 2.895 2.415 3.456 . 0 0 "[ . 1 . 2]" 1
1091 1 50 VAL MG2 1 64 GLU HG3 . . 4.470 3.200 2.453 4.124 . 0 0 "[ . 1 . 2]" 1
1092 1 50 VAL MG2 1 67 LEU MD1 . . 2.990 1.970 1.806 2.178 . 0 0 "[ . 1 . 2]" 1
1093 1 50 VAL MG2 1 67 LEU HG . . 4.550 3.852 3.533 4.054 . 0 0 "[ . 1 . 2]" 1
1094 1 50 VAL MG2 1 69 PHE QE . . 4.080 3.231 2.886 3.541 . 0 0 "[ . 1 . 2]" 1
1095 1 50 VAL MG2 1 69 PHE HZ . . 3.690 3.017 2.180 3.460 . 0 0 "[ . 1 . 2]" 1
1096 1 51 LYS H 1 51 LYS HB2 . . 3.480 2.597 2.503 2.725 . 0 0 "[ . 1 . 2]" 1
1097 1 51 LYS H 1 51 LYS HB3 . . 3.520 2.842 2.714 2.913 . 0 0 "[ . 1 . 2]" 1
1098 1 51 LYS H 1 51 LYS QD . . 5.190 4.561 4.445 4.893 . 0 0 "[ . 1 . 2]" 1
1099 1 51 LYS H 1 51 LYS HG3 . . 4.740 4.469 4.400 4.550 . 0 0 "[ . 1 . 2]" 1
1100 1 51 LYS H 1 52 ALA H . . 4.610 4.365 4.248 4.519 . 0 0 "[ . 1 . 2]" 1
1101 1 51 LYS H 1 52 ALA MB . . 5.500 4.722 4.556 4.839 . 0 0 "[ . 1 . 2]" 1
1102 1 51 LYS H 1 61 TYR QD . . 4.830 4.417 3.989 4.591 . 0 0 "[ . 1 . 2]" 1
1103 1 51 LYS H 1 61 TYR QE . . 5.370 5.181 4.812 5.372 0.002 4 0 "[ . 1 . 2]" 1
1104 1 51 LYS H 1 62 VAL MG2 . . 5.170 4.854 4.677 5.083 . 0 0 "[ . 1 . 2]" 1
1105 1 51 LYS HA 1 51 LYS HG2 . . 4.010 2.859 2.721 2.978 . 0 0 "[ . 1 . 2]" 1
1106 1 51 LYS HA 1 51 LYS HG3 . . 3.590 2.396 2.294 2.554 . 0 0 "[ . 1 . 2]" 1
1107 1 51 LYS HA 1 52 ALA H . . 2.980 2.150 2.140 2.205 . 0 0 "[ . 1 . 2]" 1
1108 1 51 LYS HA 1 60 GLY H . . 4.730 4.310 4.167 4.438 . 0 0 "[ . 1 . 2]" 1
1109 1 51 LYS HA 1 61 TYR HA . . 3.300 2.963 2.666 3.114 . 0 0 "[ . 1 . 2]" 1
1110 1 51 LYS HA 1 61 TYR QD . . 4.020 3.123 2.955 3.388 . 0 0 "[ . 1 . 2]" 1
1111 1 51 LYS HA 1 62 VAL H . . 4.140 3.842 3.479 4.086 . 0 0 "[ . 1 . 2]" 1
1112 1 51 LYS HB2 1 51 LYS HE2 . . 4.700 4.266 2.897 4.704 0.004 18 0 "[ . 1 . 2]" 1
1113 1 51 LYS HB2 1 51 LYS QE . . 3.930 3.497 2.128 3.961 0.031 18 0 "[ . 1 . 2]" 1
1114 1 51 LYS HB2 1 51 LYS HE3 . . 4.700 3.765 2.190 4.400 . 0 0 "[ . 1 . 2]" 1
1115 1 51 LYS HB2 1 52 ALA H . . 4.630 4.448 4.281 4.554 . 0 0 "[ . 1 . 2]" 1
1116 1 51 LYS HB2 1 59 VAL QG . . 4.320 4.239 4.100 4.317 . 0 0 "[ . 1 . 2]" 1
1117 1 51 LYS HB2 1 61 TYR QD . . 4.360 3.360 2.982 3.584 . 0 0 "[ . 1 . 2]" 1
1118 1 51 LYS HB2 1 61 TYR QE . . 3.830 3.127 2.836 3.249 . 0 0 "[ . 1 . 2]" 1
1119 1 51 LYS HB3 1 51 LYS HE2 . . 4.830 4.564 3.845 4.845 0.015 7 0 "[ . 1 . 2]" 1
1120 1 51 LYS HB3 1 51 LYS QE . . 4.200 3.973 2.749 4.154 . 0 0 "[ . 1 . 2]" 1
1121 1 51 LYS HB3 1 51 LYS HE3 . . 4.830 4.416 2.815 4.792 . 0 0 "[ . 1 . 2]" 1
1122 1 51 LYS HB3 1 52 ALA H . . 4.750 4.023 3.721 4.184 . 0 0 "[ . 1 . 2]" 1
1123 1 51 LYS HB3 1 59 VAL QG . . 4.990 3.702 3.562 3.858 . 0 0 "[ . 1 . 2]" 1
1124 1 51 LYS HB3 1 61 TYR QD . . 4.980 4.862 4.558 4.985 0.005 19 0 "[ . 1 . 2]" 1
1125 1 51 LYS HB3 1 61 TYR QE . . 4.810 4.701 4.451 4.791 . 0 0 "[ . 1 . 2]" 1
1126 1 51 LYS QD 1 59 VAL QG . . 3.640 2.496 1.774 2.844 . 0 0 "[ . 1 . 2]" 1
1127 1 51 LYS QD 1 61 TYR QD . . 5.340 4.405 3.879 5.057 . 0 0 "[ . 1 . 2]" 1
1128 1 51 LYS QD 1 61 TYR QE . . 4.580 3.147 2.508 4.009 . 0 0 "[ . 1 . 2]" 1
1129 1 51 LYS HD2 1 61 TYR QE . . 5.240 3.255 2.530 4.713 . 0 0 "[ . 1 . 2]" 1
1130 1 51 LYS HD3 1 61 TYR QE . . 5.240 4.573 4.118 4.822 . 0 0 "[ . 1 . 2]" 1
1131 1 51 LYS QE 1 59 VAL QG . . 3.330 2.316 1.855 3.340 0.010 4 0 "[ . 1 . 2]" 1
1132 1 51 LYS QE 1 61 TYR QE . . 3.940 2.836 1.876 3.923 . 0 0 "[ . 1 . 2]" 1
1133 1 51 LYS HE2 1 51 LYS HG3 . . 3.990 2.712 2.113 3.560 . 0 0 "[ . 1 . 2]" 1
1134 1 51 LYS HE3 1 51 LYS HG3 . . 3.990 2.600 2.148 3.456 . 0 0 "[ . 1 . 2]" 1
1135 1 51 LYS HG2 1 52 ALA H . . 4.030 3.211 2.627 3.504 . 0 0 "[ . 1 . 2]" 1
1136 1 51 LYS HG2 1 52 ALA HA . . 5.090 4.367 4.189 4.552 . 0 0 "[ . 1 . 2]" 1
1137 1 51 LYS HG2 1 59 VAL HB . . 4.580 4.469 4.332 4.581 0.001 19 0 "[ . 1 . 2]" 1
1138 1 51 LYS HG2 1 59 VAL QG . . 3.400 1.917 1.853 2.014 . 0 0 "[ . 1 . 2]" 1
1139 1 51 LYS HG2 1 60 GLY H . . 4.520 4.014 3.536 4.519 . 0 0 "[ . 1 . 2]" 1
1140 1 51 LYS HG2 1 61 TYR QE . . 4.920 4.723 4.401 4.920 . 0 0 "[ . 1 . 2]" 1
1141 1 51 LYS HG3 1 52 ALA H . . 4.000 3.632 3.218 3.975 . 0 0 "[ . 1 . 2]" 1
1142 1 51 LYS HG3 1 60 GLY H . . 4.790 4.116 3.697 4.469 . 0 0 "[ . 1 . 2]" 1
1143 1 51 LYS HG3 1 61 TYR H . . 5.500 4.971 4.457 5.499 . 0 0 "[ . 1 . 2]" 1
1144 1 51 LYS HG3 1 61 TYR QD . . 4.880 3.179 2.956 3.532 . 0 0 "[ . 1 . 2]" 1
1145 1 51 LYS HG3 1 61 TYR QE . . 4.860 3.213 2.813 3.550 . 0 0 "[ . 1 . 2]" 1
1146 1 52 ALA H 1 52 ALA MB . . 3.190 2.525 2.395 2.664 . 0 0 "[ . 1 . 2]" 1
1147 1 52 ALA H 1 59 VAL QG . . 4.010 3.256 2.577 3.659 . 0 0 "[ . 1 . 2]" 1
1148 1 52 ALA H 1 60 GLY H . . 3.490 3.283 3.080 3.465 . 0 0 "[ . 1 . 2]" 1
1149 1 52 ALA H 1 61 TYR HA . . 4.340 4.156 3.927 4.342 0.002 18 0 "[ . 1 . 2]" 1
1150 1 52 ALA H 1 62 VAL MG2 . . 4.560 3.468 3.028 4.001 . 0 0 "[ . 1 . 2]" 1
1151 1 52 ALA HA 1 53 ARG H . . 3.010 2.291 2.188 2.350 . 0 0 "[ . 1 . 2]" 1
1152 1 52 ALA HA 1 53 ARG HB2 . . 5.020 4.391 4.176 4.579 . 0 0 "[ . 1 . 2]" 1
1153 1 52 ALA MB 1 53 ARG H . . 3.120 2.676 2.484 2.942 . 0 0 "[ . 1 . 2]" 1
1154 1 52 ALA MB 1 60 GLY H . . 4.820 4.558 4.332 4.800 . 0 0 "[ . 1 . 2]" 1
1155 1 52 ALA MB 1 62 VAL MG2 . . 2.740 2.562 2.184 2.741 0.001 12 0 "[ . 1 . 2]" 1
1156 1 53 ARG H 1 53 ARG HB2 . . 3.700 2.989 2.764 3.200 . 0 0 "[ . 1 . 2]" 1
1157 1 53 ARG H 1 53 ARG HB3 . . 3.510 2.593 2.459 2.791 . 0 0 "[ . 1 . 2]" 1
1158 1 53 ARG H 1 53 ARG HG2 . . 4.950 4.408 4.201 4.584 . 0 0 "[ . 1 . 2]" 1
1159 1 53 ARG H 1 54 ASN H . . 4.810 4.400 4.272 4.537 . 0 0 "[ . 1 . 2]" 1
1160 1 53 ARG H 1 59 VAL MG1 . . 5.370 4.470 4.009 5.339 . 0 0 "[ . 1 . 2]" 1
1161 1 53 ARG H 1 59 VAL MG2 . . 5.370 4.338 3.344 4.738 . 0 0 "[ . 1 . 2]" 1
1162 1 53 ARG HA 1 53 ARG HD2 . . 5.040 4.664 4.238 4.984 . 0 0 "[ . 1 . 2]" 1
1163 1 53 ARG HA 1 53 ARG QD . . 4.400 4.129 3.962 4.260 . 0 0 "[ . 1 . 2]" 1
1164 1 53 ARG HA 1 53 ARG HD3 . . 5.040 4.646 4.339 4.973 . 0 0 "[ . 1 . 2]" 1
1165 1 53 ARG HA 1 53 ARG HG2 . . 3.980 2.985 2.615 3.222 . 0 0 "[ . 1 . 2]" 1
1166 1 53 ARG HA 1 53 ARG HG3 . . 3.610 2.697 2.463 2.921 . 0 0 "[ . 1 . 2]" 1
1167 1 53 ARG HA 1 54 ASN H . . 2.780 2.169 2.140 2.262 . 0 0 "[ . 1 . 2]" 1
1168 1 53 ARG HA 1 58 GLN H . . 5.480 5.017 4.558 5.426 . 0 0 "[ . 1 . 2]" 1
1169 1 53 ARG HA 1 59 VAL HA . . 3.130 2.592 2.228 2.788 . 0 0 "[ . 1 . 2]" 1
1170 1 53 ARG HA 1 59 VAL MG1 . . 3.840 3.596 3.326 3.845 0.005 18 0 "[ . 1 . 2]" 1
1171 1 53 ARG HA 1 59 VAL MG2 . . 3.840 2.880 2.575 3.310 . 0 0 "[ . 1 . 2]" 1
1172 1 53 ARG HA 1 60 GLY H . . 4.330 4.111 3.992 4.283 . 0 0 "[ . 1 . 2]" 1
1173 1 53 ARG HB2 1 53 ARG HD2 . . 3.840 3.114 2.274 3.834 . 0 0 "[ . 1 . 2]" 1
1174 1 53 ARG HB2 1 53 ARG HD3 . . 3.840 3.094 2.343 3.798 . 0 0 "[ . 1 . 2]" 1
1175 1 53 ARG HB2 1 54 ASN H . . 4.440 4.193 3.981 4.318 . 0 0 "[ . 1 . 2]" 1
1176 1 53 ARG HB2 1 59 VAL HA . . 4.480 3.833 3.553 4.016 . 0 0 "[ . 1 . 2]" 1
1177 1 53 ARG HB2 1 59 VAL MG1 . . 4.080 3.179 2.888 3.562 . 0 0 "[ . 1 . 2]" 1
1178 1 53 ARG HB2 1 59 VAL QG . . 3.160 2.205 1.844 2.742 . 0 0 "[ . 1 . 2]" 1
1179 1 53 ARG HB2 1 59 VAL MG2 . . 4.080 2.261 1.866 2.943 . 0 0 "[ . 1 . 2]" 1
1180 1 53 ARG HB3 1 53 ARG HD2 . . 3.980 3.045 2.270 3.748 . 0 0 "[ . 1 . 2]" 1
1181 1 53 ARG HB3 1 53 ARG QD . . 3.490 2.405 2.062 2.769 . 0 0 "[ . 1 . 2]" 1
1182 1 53 ARG HB3 1 53 ARG HD3 . . 3.980 2.815 2.094 3.658 . 0 0 "[ . 1 . 2]" 1
1183 1 53 ARG HB3 1 59 VAL QG . . 4.510 3.547 3.183 3.962 . 0 0 "[ . 1 . 2]" 1
1184 1 53 ARG QD 1 57 GLY H . . 4.850 4.425 3.939 4.852 0.002 19 0 "[ . 1 . 2]" 1
1185 1 53 ARG QD 1 57 GLY HA2 . . 3.690 2.469 1.985 3.144 . 0 0 "[ . 1 . 2]" 1
1186 1 53 ARG QD 1 57 GLY HA3 . . 4.550 3.686 3.066 4.424 . 0 0 "[ . 1 . 2]" 1
1187 1 53 ARG QD 1 59 VAL QG . . 3.360 3.054 2.492 3.361 0.001 14 0 "[ . 1 . 2]" 1
1188 1 53 ARG HD2 1 57 GLY HA2 . . 4.200 3.073 2.057 4.093 . 0 0 "[ . 1 . 2]" 1
1189 1 53 ARG HD2 1 57 GLY HA3 . . 5.370 4.359 3.252 5.372 0.002 19 0 "[ . 1 . 2]" 1
1190 1 53 ARG HD3 1 57 GLY HA2 . . 4.200 3.239 1.999 3.927 . 0 0 "[ . 1 . 2]" 1
1191 1 53 ARG HD3 1 57 GLY HA3 . . 5.370 4.618 3.103 5.372 0.002 12 0 "[ . 1 . 2]" 1
1192 1 53 ARG HG2 1 54 ASN H . . 3.760 2.856 2.423 3.227 . 0 0 "[ . 1 . 2]" 1
1193 1 53 ARG HG2 1 57 GLY H . . 4.300 3.363 3.242 3.567 . 0 0 "[ . 1 . 2]" 1
1194 1 53 ARG HG2 1 57 GLY HA2 . . 4.070 2.455 2.189 2.685 . 0 0 "[ . 1 . 2]" 1
1195 1 53 ARG HG2 1 57 GLY HA3 . . 4.470 4.140 3.826 4.410 . 0 0 "[ . 1 . 2]" 1
1196 1 53 ARG HG2 1 59 VAL QG . . 3.760 3.587 3.386 3.763 0.003 4 0 "[ . 1 . 2]" 1
1197 1 53 ARG HG3 1 54 ASN H . . 3.810 3.286 2.662 3.779 . 0 0 "[ . 1 . 2]" 1
1198 1 53 ARG HG3 1 57 GLY H . . 5.010 4.131 3.610 4.765 . 0 0 "[ . 1 . 2]" 1
1199 1 53 ARG HG3 1 57 GLY HA2 . . 4.150 2.736 2.088 3.401 . 0 0 "[ . 1 . 2]" 1
1200 1 53 ARG HG3 1 57 GLY HA3 . . 4.730 4.030 3.488 4.526 . 0 0 "[ . 1 . 2]" 1
1201 1 53 ARG HG3 1 58 GLN HA . . 5.470 4.387 3.984 4.788 . 0 0 "[ . 1 . 2]" 1
1202 1 53 ARG HG3 1 59 VAL H . . 5.310 4.404 3.370 4.922 . 0 0 "[ . 1 . 2]" 1
1203 1 53 ARG HG3 1 59 VAL HA . . 4.550 3.886 3.353 4.365 . 0 0 "[ . 1 . 2]" 1
1204 1 53 ARG HG3 1 59 VAL MG1 . . 4.560 4.024 2.312 4.559 . 0 0 "[ . 1 . 2]" 1
1205 1 53 ARG HG3 1 59 VAL QG . . 3.180 2.195 1.973 2.395 . 0 0 "[ . 1 . 2]" 1
1206 1 53 ARG HG3 1 59 VAL MG2 . . 4.560 2.409 1.978 3.755 . 0 0 "[ . 1 . 2]" 1
1207 1 54 ASN H 1 54 ASN HB2 . . 4.180 3.534 3.491 3.562 . 0 0 "[ . 1 . 2]" 1
1208 1 54 ASN H 1 54 ASN HB3 . . 3.720 3.067 2.949 3.248 . 0 0 "[ . 1 . 2]" 1
1209 1 54 ASN H 1 54 ASN HD21 . . 4.270 4.065 3.861 4.180 . 0 0 "[ . 1 . 2]" 1
1210 1 54 ASN H 1 54 ASN HD22 . . 5.080 3.838 3.711 3.951 . 0 0 "[ . 1 . 2]" 1
1211 1 54 ASN H 1 57 GLY H . . 4.340 3.670 3.384 4.253 . 0 0 "[ . 1 . 2]" 1
1212 1 54 ASN H 1 57 GLY HA2 . . 5.000 4.295 3.831 4.644 . 0 0 "[ . 1 . 2]" 1
1213 1 54 ASN H 1 58 GLN H . . 4.040 3.690 3.114 3.977 . 0 0 "[ . 1 . 2]" 1
1214 1 54 ASN H 1 58 GLN HB2 . . 4.460 4.024 3.840 4.239 . 0 0 "[ . 1 . 2]" 1
1215 1 54 ASN H 1 59 VAL HA . . 4.180 3.949 3.476 4.184 0.004 12 0 "[ . 1 . 2]" 1
1216 1 54 ASN H 1 59 VAL QG . . 4.740 4.022 3.667 4.421 . 0 0 "[ . 1 . 2]" 1
1217 1 54 ASN HA 1 54 ASN HD21 . . 4.900 4.530 4.459 4.609 . 0 0 "[ . 1 . 2]" 1
1218 1 54 ASN HA 1 54 ASN HD22 . . 5.390 5.309 5.257 5.364 . 0 0 "[ . 1 . 2]" 1
1219 1 54 ASN HA 1 55 LYS H . . 3.180 2.603 2.417 2.655 . 0 0 "[ . 1 . 2]" 1
1220 1 54 ASN HA 1 55 LYS HA . . 4.730 4.310 4.294 4.317 . 0 0 "[ . 1 . 2]" 1
1221 1 54 ASN HA 1 57 GLY H . . 5.300 4.582 4.387 4.918 . 0 0 "[ . 1 . 2]" 1
1222 1 54 ASN HB2 1 54 ASN HD22 . . 4.050 3.694 3.618 3.755 . 0 0 "[ . 1 . 2]" 1
1223 1 54 ASN HB2 1 55 LYS H . . 3.020 2.032 1.921 2.472 . 0 0 "[ . 1 . 2]" 1
1224 1 54 ASN HB2 1 56 VAL H . . 4.310 2.708 2.395 2.963 . 0 0 "[ . 1 . 2]" 1
1225 1 54 ASN HB3 1 54 ASN HD21 . . 3.360 2.369 2.264 2.517 . 0 0 "[ . 1 . 2]" 1
1226 1 54 ASN HB3 1 54 ASN HD22 . . 3.880 3.535 3.492 3.598 . 0 0 "[ . 1 . 2]" 1
1227 1 54 ASN HB3 1 55 LYS H . . 3.520 3.300 3.218 3.404 . 0 0 "[ . 1 . 2]" 1
1228 1 54 ASN HB3 1 58 GLN HB2 . . 5.000 4.891 4.724 4.996 . 0 0 "[ . 1 . 2]" 1
1229 1 54 ASN HD21 1 56 VAL QG . . 3.890 2.859 2.396 3.247 . 0 0 "[ . 1 . 2]" 1
1230 1 54 ASN HD21 1 58 GLN H . . 5.130 4.797 4.543 5.129 . 0 0 "[ . 1 . 2]" 1
1231 1 54 ASN HD21 1 58 GLN HB2 . . 3.840 3.539 3.437 3.593 . 0 0 "[ . 1 . 2]" 1
1232 1 54 ASN HD21 1 58 GLN HB3 . . 4.630 4.433 4.207 4.628 . 0 0 "[ . 1 . 2]" 1
1233 1 54 ASN HD21 1 58 GLN QG . . 5.500 5.190 4.616 5.452 . 0 0 "[ . 1 . 2]" 1
1234 1 54 ASN HD22 1 56 VAL QG . . 3.360 2.467 2.035 2.814 . 0 0 "[ . 1 . 2]" 1
1235 1 54 ASN HD22 1 58 GLN H . . 4.270 3.620 3.435 3.896 . 0 0 "[ . 1 . 2]" 1
1236 1 54 ASN HD22 1 58 GLN HB2 . . 3.440 1.914 1.896 1.947 . 0 0 "[ . 1 . 2]" 1
1237 1 54 ASN HD22 1 58 GLN HB3 . . 3.600 2.756 2.492 2.987 . 0 0 "[ . 1 . 2]" 1
1238 1 54 ASN HD22 1 58 GLN QG . . 4.300 3.742 3.193 3.973 . 0 0 "[ . 1 . 2]" 1
1239 1 55 LYS H 1 55 LYS HB2 . . 3.650 3.585 3.555 3.592 . 0 0 "[ . 1 . 2]" 1
1240 1 55 LYS H 1 55 LYS QB . . 3.090 2.467 2.281 2.551 . 0 0 "[ . 1 . 2]" 1
1241 1 55 LYS H 1 55 LYS HB3 . . 3.650 2.515 2.309 2.611 . 0 0 "[ . 1 . 2]" 1
1242 1 55 LYS H 1 55 LYS QD . . 4.580 3.313 1.839 4.030 . 0 0 "[ . 1 . 2]" 1
1243 1 55 LYS H 1 55 LYS HG2 . . 4.190 2.507 1.968 3.449 . 0 0 "[ . 1 . 2]" 1
1244 1 55 LYS H 1 55 LYS QG . . 3.490 2.219 1.957 3.199 . 0 0 "[ . 1 . 2]" 1
1245 1 55 LYS H 1 55 LYS HG3 . . 4.190 3.270 2.217 4.066 . 0 0 "[ . 1 . 2]" 1
1246 1 55 LYS H 1 56 VAL H . . 3.490 2.717 2.580 2.886 . 0 0 "[ . 1 . 2]" 1
1247 1 55 LYS H 1 56 VAL MG1 . . 5.330 4.480 4.078 5.067 . 0 0 "[ . 1 . 2]" 1
1248 1 55 LYS H 1 56 VAL QG . . 4.630 3.556 3.407 3.731 . 0 0 "[ . 1 . 2]" 1
1249 1 55 LYS H 1 56 VAL MG2 . . 5.330 3.751 3.496 4.030 . 0 0 "[ . 1 . 2]" 1
1250 1 55 LYS H 1 57 GLY H . . 4.820 4.029 3.926 4.242 . 0 0 "[ . 1 . 2]" 1
1251 1 55 LYS HA 1 55 LYS QD . . 4.300 4.058 3.598 4.300 . 0 0 "[ . 1 . 2]" 1
1252 1 55 LYS HA 1 57 GLY H . . 4.150 3.786 3.342 4.053 . 0 0 "[ . 1 . 2]" 1
1253 1 55 LYS HB2 1 55 LYS QD . . 3.720 2.729 2.082 3.402 . 0 0 "[ . 1 . 2]" 1
1254 1 55 LYS HB2 1 56 VAL H . . 4.220 3.761 3.490 4.068 . 0 0 "[ . 1 . 2]" 1
1255 1 55 LYS HB3 1 55 LYS QD . . 3.720 2.493 2.088 3.441 . 0 0 "[ . 1 . 2]" 1
1256 1 55 LYS HB3 1 56 VAL H . . 4.220 3.922 3.791 4.137 . 0 0 "[ . 1 . 2]" 1
1257 1 55 LYS QD 1 56 VAL QG . . 4.520 3.207 1.902 4.016 . 0 0 "[ . 1 . 2]" 1
1258 1 55 LYS QE 1 56 VAL QG . . 4.250 3.406 2.112 4.223 . 0 0 "[ . 1 . 2]" 1
1259 1 55 LYS QG 1 56 VAL H . . 3.960 2.041 1.829 2.429 . 0 0 "[ . 1 . 2]" 1
1260 1 55 LYS QG 1 56 VAL QG . . 3.340 2.379 1.991 2.619 . 0 0 "[ . 1 . 2]" 1
1261 1 55 LYS HG2 1 56 VAL H . . 4.530 2.566 1.928 3.881 . 0 0 "[ . 1 . 2]" 1
1262 1 55 LYS HG3 1 56 VAL H . . 4.530 2.557 1.898 3.964 . 0 0 "[ . 1 . 2]" 1
1263 1 56 VAL H 1 56 VAL HB . . 3.740 3.596 3.541 3.623 . 0 0 "[ . 1 . 2]" 1
1264 1 56 VAL H 1 56 VAL MG1 . . 3.220 2.479 2.210 2.833 . 0 0 "[ . 1 . 2]" 1
1265 1 56 VAL H 1 56 VAL QG . . 2.660 1.913 1.795 2.018 . 0 0 "[ . 1 . 2]" 1
1266 1 56 VAL H 1 56 VAL MG2 . . 3.220 2.012 1.823 2.225 . 0 0 "[ . 1 . 2]" 1
1267 1 56 VAL H 1 57 GLY H . . 2.890 2.619 2.442 2.719 . 0 0 "[ . 1 . 2]" 1
1268 1 56 VAL H 1 57 GLY HA2 . . 5.040 4.955 4.743 5.048 0.008 18 0 "[ . 1 . 2]" 1
1269 1 56 VAL H 1 58 GLN H . . 4.140 3.968 3.544 4.137 . 0 0 "[ . 1 . 2]" 1
1270 1 56 VAL HA 1 56 VAL HB . . 2.970 2.534 2.446 2.647 . 0 0 "[ . 1 . 2]" 1
1271 1 56 VAL HA 1 56 VAL QG . . 2.940 2.195 1.977 2.335 . 0 0 "[ . 1 . 2]" 1
1272 1 56 VAL HB 1 57 GLY H . . 4.510 3.941 3.633 4.301 . 0 0 "[ . 1 . 2]" 1
1273 1 56 VAL HB 1 58 GLN H . . 4.820 3.432 3.088 3.887 . 0 0 "[ . 1 . 2]" 1
1274 1 56 VAL QG 1 57 GLY H . . 3.660 2.313 2.001 2.961 . 0 0 "[ . 1 . 2]" 1
1275 1 56 VAL QG 1 58 GLN H . . 3.410 1.977 1.796 2.286 . 0 0 "[ . 1 . 2]" 1
1276 1 56 VAL QG 1 58 GLN HB2 . . 3.740 2.046 1.863 2.345 . 0 0 "[ . 1 . 2]" 1
1277 1 56 VAL QG 1 58 GLN HB3 . . 4.340 3.483 3.236 3.769 . 0 0 "[ . 1 . 2]" 1
1278 1 56 VAL QG 1 58 GLN QE . . 4.390 3.404 1.803 4.387 . 0 0 "[ . 1 . 2]" 1
1279 1 56 VAL QG 1 58 GLN QG . . 3.150 2.444 1.979 2.977 . 0 0 "[ . 1 . 2]" 1
1280 1 56 VAL MG1 1 57 GLY H . . 4.630 4.170 4.026 4.336 . 0 0 "[ . 1 . 2]" 1
1281 1 56 VAL MG2 1 57 GLY H . . 4.630 2.327 2.006 3.015 . 0 0 "[ . 1 . 2]" 1
1282 1 57 GLY H 1 58 GLN H . . 3.000 2.442 2.174 2.933 . 0 0 "[ . 1 . 2]" 1
1283 1 58 GLN H 1 58 GLN HB2 . . 3.160 2.211 2.183 2.306 . 0 0 "[ . 1 . 2]" 1
1284 1 58 GLN H 1 58 GLN HB3 . . 3.620 3.507 3.475 3.557 . 0 0 "[ . 1 . 2]" 1
1285 1 58 GLN H 1 58 GLN QG . . 3.300 2.819 2.599 3.081 . 0 0 "[ . 1 . 2]" 1
1286 1 58 GLN HA 1 58 GLN QG . . 3.320 2.285 2.139 2.672 . 0 0 "[ . 1 . 2]" 1
1287 1 58 GLN HA 1 59 VAL H . . 2.730 2.188 2.139 2.357 . 0 0 "[ . 1 . 2]" 1
1288 1 58 GLN HA 1 59 VAL HB . . 5.060 4.718 4.606 4.868 . 0 0 "[ . 1 . 2]" 1
1289 1 58 GLN HA 1 59 VAL QG . . 3.910 3.436 3.192 3.691 . 0 0 "[ . 1 . 2]" 1
1290 1 58 GLN HB2 1 59 VAL H . . 4.620 4.316 3.967 4.486 . 0 0 "[ . 1 . 2]" 1
1291 1 58 GLN HB3 1 59 VAL H . . 3.620 3.250 2.626 3.622 0.002 18 0 "[ . 1 . 2]" 1
1292 1 58 GLN QG 1 59 VAL H . . 4.000 3.759 3.408 4.020 0.020 19 0 "[ . 1 . 2]" 1
1293 1 59 VAL H 1 59 VAL HB . . 3.420 2.828 2.633 3.339 . 0 0 "[ . 1 . 2]" 1
1294 1 59 VAL H 1 59 VAL MG1 . . 4.010 3.618 2.039 3.977 . 0 0 "[ . 1 . 2]" 1
1295 1 59 VAL H 1 59 VAL QG . . 3.180 2.523 2.030 2.821 . 0 0 "[ . 1 . 2]" 1
1296 1 59 VAL H 1 59 VAL MG2 . . 4.010 2.819 2.471 3.808 . 0 0 "[ . 1 . 2]" 1
1297 1 59 VAL H 1 60 GLY H . . 4.760 4.316 4.122 4.389 . 0 0 "[ . 1 . 2]" 1
1298 1 59 VAL HA 1 59 VAL MG1 . . 3.280 2.442 2.177 3.185 . 0 0 "[ . 1 . 2]" 1
1299 1 59 VAL HA 1 59 VAL MG2 . . 3.280 2.439 2.330 2.496 . 0 0 "[ . 1 . 2]" 1
1300 1 59 VAL HA 1 60 GLY H . . 2.850 2.151 2.144 2.169 . 0 0 "[ . 1 . 2]" 1
1301 1 59 VAL HA 1 60 GLY HA3 . . 4.950 4.367 4.341 4.391 . 0 0 "[ . 1 . 2]" 1
1302 1 59 VAL HB 1 60 GLY H . . 4.240 4.141 3.973 4.211 . 0 0 "[ . 1 . 2]" 1
1303 1 59 VAL QG 1 60 GLY H . . 3.230 2.568 2.302 2.776 . 0 0 "[ . 1 . 2]" 1
1304 1 59 VAL QG 1 60 GLY HA2 . . 4.090 3.466 3.115 3.727 . 0 0 "[ . 1 . 2]" 1
1305 1 59 VAL QG 1 60 GLY HA3 . . 4.570 4.205 3.916 4.377 . 0 0 "[ . 1 . 2]" 1
1306 1 59 VAL MG1 1 60 GLY H . . 4.410 2.846 2.343 4.169 . 0 0 "[ . 1 . 2]" 1
1307 1 59 VAL MG2 1 60 GLY H . . 4.410 3.902 2.313 4.221 . 0 0 "[ . 1 . 2]" 1
1308 1 60 GLY H 1 61 TYR H . . 5.000 4.303 4.145 4.413 . 0 0 "[ . 1 . 2]" 1
1309 1 60 GLY HA2 1 61 TYR H . . 3.390 2.731 2.487 2.946 . 0 0 "[ . 1 . 2]" 1
1310 1 60 GLY HA3 1 61 TYR H . . 3.380 2.417 2.248 2.641 . 0 0 "[ . 1 . 2]" 1
1311 1 61 TYR H 1 61 TYR HB2 . . 3.470 2.529 2.455 2.632 . 0 0 "[ . 1 . 2]" 1
1312 1 61 TYR H 1 61 TYR HB3 . . 3.970 3.690 3.630 3.771 . 0 0 "[ . 1 . 2]" 1
1313 1 61 TYR H 1 61 TYR QD . . 3.830 3.415 3.226 3.668 . 0 0 "[ . 1 . 2]" 1
1314 1 61 TYR H 1 61 TYR QE . . 5.460 4.919 4.697 5.207 . 0 0 "[ . 1 . 2]" 1
1315 1 61 TYR HA 1 61 TYR QD . . 3.530 2.160 2.012 2.399 . 0 0 "[ . 1 . 2]" 1
1316 1 61 TYR HA 1 61 TYR QE . . 4.560 4.385 4.300 4.487 . 0 0 "[ . 1 . 2]" 1
1317 1 61 TYR HA 1 62 VAL H . . 2.930 2.165 2.140 2.202 . 0 0 "[ . 1 . 2]" 1
1318 1 61 TYR HA 1 62 VAL MG1 . . 4.610 3.768 3.490 4.153 . 0 0 "[ . 1 . 2]" 1
1319 1 61 TYR HA 1 62 VAL MG2 . . 4.290 3.687 3.412 3.908 . 0 0 "[ . 1 . 2]" 1
1320 1 61 TYR HB2 1 62 VAL H . . 4.350 4.157 4.039 4.351 0.001 14 0 "[ . 1 . 2]" 1
1321 1 61 TYR HB3 1 62 VAL H . . 3.840 3.213 3.009 3.556 . 0 0 "[ . 1 . 2]" 1
1322 1 61 TYR QD 1 62 VAL H . . 4.300 3.817 3.687 3.963 . 0 0 "[ . 1 . 2]" 1
1323 1 62 VAL H 1 62 VAL MG1 . . 4.030 3.078 2.835 3.224 . 0 0 "[ . 1 . 2]" 1
1324 1 62 VAL H 1 62 VAL MG2 . . 3.290 2.183 1.895 2.479 . 0 0 "[ . 1 . 2]" 1
1325 1 62 VAL H 1 63 PRO QD . . 5.350 4.315 4.266 4.359 . 0 0 "[ . 1 . 2]" 1
1326 1 62 VAL HA 1 62 VAL MG1 . . 3.400 2.314 2.182 2.433 . 0 0 "[ . 1 . 2]" 1
1327 1 62 VAL HA 1 63 PRO HD2 . . 3.380 2.343 2.291 2.397 . 0 0 "[ . 1 . 2]" 1
1328 1 62 VAL HA 1 63 PRO QD . . 2.860 2.058 2.030 2.088 . 0 0 "[ . 1 . 2]" 1
1329 1 62 VAL HA 1 63 PRO HD3 . . 3.380 2.280 2.266 2.298 . 0 0 "[ . 1 . 2]" 1
1330 1 62 VAL HA 1 63 PRO HG2 . . 4.630 4.466 4.425 4.510 . 0 0 "[ . 1 . 2]" 1
1331 1 62 VAL HA 1 63 PRO HG3 . . 4.760 4.439 4.411 4.469 . 0 0 "[ . 1 . 2]" 1
1332 1 62 VAL HB 1 63 PRO HD2 . . 3.610 2.078 2.000 2.184 . 0 0 "[ . 1 . 2]" 1
1333 1 62 VAL HB 1 63 PRO QD . . 3.050 2.064 1.988 2.166 . 0 0 "[ . 1 . 2]" 1
1334 1 62 VAL HB 1 63 PRO HD3 . . 3.610 3.517 3.451 3.610 . 0 0 "[ . 1 . 2]" 1
1335 1 62 VAL MG1 1 63 PRO HD2 . . 4.150 3.074 2.641 3.307 . 0 0 "[ . 1 . 2]" 1
1336 1 62 VAL MG1 1 63 PRO QD . . 3.630 2.957 2.567 3.158 . 0 0 "[ . 1 . 2]" 1
1337 1 62 VAL MG1 1 63 PRO HD3 . . 4.150 3.846 3.492 4.012 . 0 0 "[ . 1 . 2]" 1
1338 1 62 VAL MG2 1 63 PRO HD2 . . 4.650 3.641 3.495 3.779 . 0 0 "[ . 1 . 2]" 1
1339 1 62 VAL MG2 1 63 PRO QD . . 3.980 3.499 3.372 3.620 . 0 0 "[ . 1 . 2]" 1
1340 1 62 VAL MG2 1 63 PRO HD3 . . 4.650 4.533 4.433 4.634 . 0 0 "[ . 1 . 2]" 1
1341 1 62 VAL MG2 1 64 GLU HA . . 4.380 4.050 3.759 4.382 0.002 4 0 "[ . 1 . 2]" 1
1342 1 62 VAL MG2 1 66 TYR HB2 . . 5.500 5.006 4.642 5.471 . 0 0 "[ . 1 . 2]" 1
1343 1 62 VAL MG2 1 67 LEU HG . . 3.950 2.935 2.581 3.330 . 0 0 "[ . 1 . 2]" 1
1344 1 63 PRO HA 1 64 GLU H . . 2.870 2.165 2.152 2.199 . 0 0 "[ . 1 . 2]" 1
1345 1 63 PRO HA 1 64 GLU QB . . 4.370 4.071 4.030 4.098 . 0 0 "[ . 1 . 2]" 1
1346 1 63 PRO HA 1 65 LYS H . . 4.510 3.805 3.519 4.166 . 0 0 "[ . 1 . 2]" 1
1347 1 63 PRO QB 1 64 GLU H . . 4.420 3.459 3.166 3.654 . 0 0 "[ . 1 . 2]" 1
1348 1 63 PRO QB 1 65 LYS H . . 4.070 3.166 2.272 3.593 . 0 0 "[ . 1 . 2]" 1
1349 1 63 PRO QB 1 65 LYS QG . . 4.050 2.722 1.949 3.967 . 0 0 "[ . 1 . 2]" 1
1350 1 63 PRO QB 1 66 TYR H . . 3.890 2.821 2.618 3.161 . 0 0 "[ . 1 . 2]" 1
1351 1 63 PRO QB 1 66 TYR HB2 . . 4.600 3.423 2.985 4.196 . 0 0 "[ . 1 . 2]" 1
1352 1 63 PRO QB 1 66 TYR QD . . 4.510 2.669 1.985 3.708 . 0 0 "[ . 1 . 2]" 1
1353 1 63 PRO QB 1 66 TYR QE . . 4.550 3.688 3.275 4.192 . 0 0 "[ . 1 . 2]" 1
1354 1 63 PRO HG2 1 66 TYR H . . 4.590 3.356 2.916 3.798 . 0 0 "[ . 1 . 2]" 1
1355 1 63 PRO HG2 1 66 TYR HB2 . . 4.380 2.282 2.001 2.809 . 0 0 "[ . 1 . 2]" 1
1356 1 63 PRO HG2 1 66 TYR HB3 . . 4.810 3.704 3.246 4.390 . 0 0 "[ . 1 . 2]" 1
1357 1 63 PRO HG2 1 66 TYR QD . . 4.420 2.584 1.998 3.215 . 0 0 "[ . 1 . 2]" 1
1358 1 63 PRO HG2 1 66 TYR QE . . 4.360 4.029 3.556 4.358 . 0 0 "[ . 1 . 2]" 1
1359 1 63 PRO HG3 1 66 TYR QE . . 4.840 3.632 2.767 4.453 . 0 0 "[ . 1 . 2]" 1
1360 1 64 GLU H 1 64 GLU QB . . 3.210 2.194 2.122 2.265 . 0 0 "[ . 1 . 2]" 1
1361 1 64 GLU H 1 64 GLU HG2 . . 4.720 4.427 4.061 4.614 . 0 0 "[ . 1 . 2]" 1
1362 1 64 GLU H 1 64 GLU QG . . 4.000 3.897 3.756 4.029 0.029 5 0 "[ . 1 . 2]" 1
1363 1 64 GLU H 1 64 GLU HG3 . . 4.720 4.348 4.104 4.616 . 0 0 "[ . 1 . 2]" 1
1364 1 64 GLU H 1 65 LYS H . . 3.540 2.745 2.479 3.023 . 0 0 "[ . 1 . 2]" 1
1365 1 64 GLU HA 1 64 GLU HG2 . . 3.810 2.546 2.204 3.154 . 0 0 "[ . 1 . 2]" 1
1366 1 64 GLU HA 1 64 GLU HG3 . . 3.810 3.001 2.289 3.613 . 0 0 "[ . 1 . 2]" 1
1367 1 64 GLU HA 1 66 TYR H . . 4.290 3.943 3.408 4.265 . 0 0 "[ . 1 . 2]" 1
1368 1 64 GLU HA 1 67 LEU H . . 4.380 3.052 2.723 3.667 . 0 0 "[ . 1 . 2]" 1
1369 1 64 GLU HA 1 67 LEU HB2 . . 4.340 2.458 2.001 2.904 . 0 0 "[ . 1 . 2]" 1
1370 1 64 GLU HA 1 67 LEU HB3 . . 4.840 4.049 3.565 4.510 . 0 0 "[ . 1 . 2]" 1
1371 1 64 GLU HA 1 67 LEU MD1 . . 3.450 2.329 1.996 2.615 . 0 0 "[ . 1 . 2]" 1
1372 1 64 GLU HA 1 67 LEU HG . . 3.800 2.942 2.531 3.478 . 0 0 "[ . 1 . 2]" 1
1373 1 64 GLU HA 1 69 PHE QE . . 4.360 3.297 2.905 3.863 . 0 0 "[ . 1 . 2]" 1
1374 1 64 GLU HA 1 69 PHE HZ . . 4.960 4.763 4.393 4.960 . 1 0 "[ . 1 . 2]" 1
1375 1 64 GLU QB 1 65 LYS H . . 3.680 2.656 2.257 3.631 . 0 0 "[ . 1 . 2]" 1
1376 1 64 GLU QB 1 67 LEU MD1 . . 4.800 3.727 3.330 4.071 . 0 0 "[ . 1 . 2]" 1
1377 1 64 GLU QB 1 69 PHE QE . . 4.760 4.009 3.528 4.344 . 0 0 "[ . 1 . 2]" 1
1378 1 64 GLU QB 1 69 PHE HZ . . 4.830 4.402 3.778 4.745 . 0 0 "[ . 1 . 2]" 1
1379 1 64 GLU QG 1 67 LEU HB2 . . 5.140 2.906 2.370 3.450 . 0 0 "[ . 1 . 2]" 1
1380 1 64 GLU QG 1 67 LEU MD1 . . 5.000 3.038 2.362 3.603 . 0 0 "[ . 1 . 2]" 1
1381 1 64 GLU QG 1 69 PHE HZ . . 3.950 2.801 2.286 3.347 . 0 0 "[ . 1 . 2]" 1
1382 1 64 GLU HG2 1 65 LYS H . . 5.200 4.485 4.043 4.944 . 0 0 "[ . 1 . 2]" 1
1383 1 64 GLU HG2 1 69 PHE QE . . 4.460 2.498 2.000 3.384 . 0 0 "[ . 1 . 2]" 1
1384 1 64 GLU HG2 1 69 PHE HZ . . 4.490 3.698 2.789 4.398 . 0 0 "[ . 1 . 2]" 1
1385 1 64 GLU HG3 1 65 LYS H . . 5.200 5.060 4.703 5.197 . 0 0 "[ . 1 . 2]" 1
1386 1 64 GLU HG3 1 69 PHE QE . . 4.460 2.767 2.002 3.783 . 0 0 "[ . 1 . 2]" 1
1387 1 64 GLU HG3 1 69 PHE HZ . . 4.490 3.021 2.335 3.912 . 0 0 "[ . 1 . 2]" 1
1388 1 65 LYS H 1 65 LYS QB . . 3.090 2.489 2.238 2.742 . 0 0 "[ . 1 . 2]" 1
1389 1 65 LYS H 1 65 LYS QD . . 4.630 3.674 1.919 4.434 . 0 0 "[ . 1 . 2]" 1
1390 1 65 LYS H 1 65 LYS HG2 . . 3.840 2.649 1.928 3.711 . 0 0 "[ . 1 . 2]" 1
1391 1 65 LYS H 1 65 LYS QG . . 3.190 2.249 1.915 2.872 . 0 0 "[ . 1 . 2]" 1
1392 1 65 LYS H 1 65 LYS HG3 . . 3.840 3.032 1.954 3.844 0.004 17 0 "[ . 1 . 2]" 1
1393 1 65 LYS H 1 66 TYR H . . 3.450 2.819 2.123 3.041 . 0 0 "[ . 1 . 2]" 1
1394 1 65 LYS H 1 67 LEU H . . 4.760 4.077 3.504 4.298 . 0 0 "[ . 1 . 2]" 1
1395 1 65 LYS HA 1 65 LYS QD . . 4.340 4.067 2.485 4.364 0.024 4 0 "[ . 1 . 2]" 1
1396 1 65 LYS HA 1 65 LYS HG2 . . 4.150 3.225 2.359 3.927 . 0 0 "[ . 1 . 2]" 1
1397 1 65 LYS HA 1 65 LYS QG . . 3.610 2.969 2.305 3.426 . 0 0 "[ . 1 . 2]" 1
1398 1 65 LYS HA 1 65 LYS HG3 . . 4.150 3.591 2.803 4.218 0.068 17 0 "[ . 1 . 2]" 1
1399 1 65 LYS HA 1 67 LEU H . . 4.370 4.221 3.545 4.373 0.003 20 0 "[ . 1 . 2]" 1
1400 1 65 LYS QB 1 65 LYS QD . . 3.150 2.141 2.018 2.377 . 0 0 "[ . 1 . 2]" 1
1401 1 65 LYS QB 1 65 LYS QE . . 4.500 2.614 2.074 3.707 . 0 0 "[ . 1 . 2]" 1
1402 1 65 LYS QB 1 66 TYR H . . 4.210 3.127 2.466 3.690 . 0 0 "[ . 1 . 2]" 1
1403 1 65 LYS QB 1 66 TYR QD . . 4.570 3.338 2.212 4.551 . 0 0 "[ . 1 . 2]" 1
1404 1 65 LYS QB 1 66 TYR QE . . 5.030 4.132 2.906 5.029 . 0 0 "[ . 1 . 2]" 1
1405 1 65 LYS QE 1 66 TYR QE . . 4.300 3.685 2.143 4.301 0.001 12 0 "[ . 1 . 2]" 1
1406 1 65 LYS QG 1 66 TYR H . . 4.290 2.963 1.851 4.263 . 0 0 "[ . 1 . 2]" 1
1407 1 65 LYS QG 1 66 TYR QD . . 5.040 3.212 1.801 4.813 . 0 0 "[ . 1 . 2]" 1
1408 1 65 LYS HG2 1 66 TYR H . . 5.120 3.513 1.925 5.117 . 0 0 "[ . 1 . 2]" 1
1409 1 65 LYS HG3 1 66 TYR H . . 5.120 3.419 2.322 4.855 . 0 0 "[ . 1 . 2]" 1
1410 1 66 TYR H 1 66 TYR HB2 . . 3.220 2.330 2.237 2.552 . 0 0 "[ . 1 . 2]" 1
1411 1 66 TYR H 1 66 TYR HB3 . . 3.720 3.576 3.526 3.671 . 0 0 "[ . 1 . 2]" 1
1412 1 66 TYR H 1 66 TYR QD . . 3.980 2.570 1.935 3.645 . 0 0 "[ . 1 . 2]" 1
1413 1 66 TYR H 1 67 LEU H . . 3.030 2.410 2.005 2.706 . 0 0 "[ . 1 . 2]" 1
1414 1 66 TYR H 1 67 LEU MD2 . . 5.320 5.086 4.664 5.319 . 0 0 "[ . 1 . 2]" 1
1415 1 66 TYR H 1 67 LEU HG . . 4.370 4.101 3.613 4.371 0.001 4 0 "[ . 1 . 2]" 1
1416 1 66 TYR HB2 1 67 LEU H . . 4.410 3.052 2.798 3.873 . 0 0 "[ . 1 . 2]" 1
1417 1 66 TYR HB2 1 67 LEU MD2 . . 4.550 4.144 3.774 4.454 . 0 0 "[ . 1 . 2]" 1
1418 1 66 TYR HB2 1 67 LEU HG . . 4.750 3.658 3.293 4.116 . 0 0 "[ . 1 . 2]" 1
1419 1 66 TYR HB3 1 67 LEU H . . 4.700 3.766 3.421 4.456 . 0 0 "[ . 1 . 2]" 1
1420 1 66 TYR HB3 1 67 LEU MD2 . . 5.420 4.177 3.721 4.629 . 0 0 "[ . 1 . 2]" 1
1421 1 67 LEU H 1 67 LEU HB2 . . 3.200 2.434 2.273 2.597 . 0 0 "[ . 1 . 2]" 1
1422 1 67 LEU H 1 67 LEU HB3 . . 3.740 3.597 3.546 3.696 . 0 0 "[ . 1 . 2]" 1
1423 1 67 LEU H 1 67 LEU MD1 . . 4.200 3.693 3.385 4.141 . 0 0 "[ . 1 . 2]" 1
1424 1 67 LEU H 1 67 LEU MD2 . . 4.130 3.530 3.172 3.926 . 0 0 "[ . 1 . 2]" 1
1425 1 67 LEU H 1 67 LEU HG . . 3.270 2.508 2.132 3.205 . 0 0 "[ . 1 . 2]" 1
1426 1 67 LEU H 1 68 GLN H . . 4.860 4.599 4.456 4.625 . 0 0 "[ . 1 . 2]" 1
1427 1 67 LEU HA 1 67 LEU MD2 . . 3.130 2.137 1.951 2.497 . 0 0 "[ . 1 . 2]" 1
1428 1 67 LEU HA 1 67 LEU HG . . 4.200 3.073 2.984 3.229 . 0 0 "[ . 1 . 2]" 1
1429 1 67 LEU HA 1 68 GLN H . . 2.830 2.277 2.197 2.383 . 0 0 "[ . 1 . 2]" 1
1430 1 67 LEU HB2 1 67 LEU MD1 . . 3.270 2.294 2.141 2.425 . 0 0 "[ . 1 . 2]" 1
1431 1 67 LEU HB2 1 67 LEU MD2 . . 3.590 3.185 3.157 3.194 . 0 0 "[ . 1 . 2]" 1
1432 1 67 LEU HB2 1 68 GLN H . . 4.430 3.883 3.495 4.184 . 0 0 "[ . 1 . 2]" 1
1433 1 67 LEU HB2 1 69 PHE QD . . 4.690 3.239 2.814 3.785 . 0 0 "[ . 1 . 2]" 1
1434 1 67 LEU HB2 1 69 PHE QE . . 3.850 2.499 2.055 3.016 . 0 0 "[ . 1 . 2]" 1
1435 1 67 LEU HB3 1 67 LEU MD1 . . 3.570 2.377 2.250 2.487 . 0 0 "[ . 1 . 2]" 1
1436 1 67 LEU HB3 1 68 GLN H . . 3.470 2.763 2.503 3.054 . 0 0 "[ . 1 . 2]" 1
1437 1 67 LEU HB3 1 69 PHE QD . . 5.010 3.125 2.589 3.509 . 0 0 "[ . 1 . 2]" 1
1438 1 67 LEU HB3 1 69 PHE QE . . 4.920 2.888 2.334 3.384 . 0 0 "[ . 1 . 2]" 1
1439 1 67 LEU MD1 1 69 PHE QD . . 5.010 3.959 3.772 4.337 . 0 0 "[ . 1 . 2]" 1
1440 1 67 LEU MD1 1 69 PHE QE . . 3.880 2.272 2.038 2.799 . 0 0 "[ . 1 . 2]" 1
1441 1 67 LEU MD1 1 69 PHE HZ . . 4.020 3.482 3.071 3.825 . 0 0 "[ . 1 . 2]" 1
1442 1 67 LEU MD2 1 68 GLN H . . 3.780 3.328 2.938 3.636 . 0 0 "[ . 1 . 2]" 1
1443 1 67 LEU MD2 1 69 PHE QD . . 5.500 4.876 4.294 5.187 . 0 0 "[ . 1 . 2]" 1
1444 1 67 LEU MD2 1 69 PHE QE . . 5.500 4.284 3.840 4.664 . 0 0 "[ . 1 . 2]" 1
1445 1 68 GLN H 1 68 GLN HB2 . . 3.370 2.861 2.743 3.009 . 0 0 "[ . 1 . 2]" 1
1446 1 68 GLN H 1 68 GLN HB3 . . 3.370 2.680 2.569 2.841 . 0 0 "[ . 1 . 2]" 1
1447 1 68 GLN HB2 1 69 PHE H . . 4.600 4.591 4.536 4.620 0.020 5 0 "[ . 1 . 2]" 1
1448 1 68 GLN HB3 1 69 PHE H . . 4.600 4.414 4.321 4.482 . 0 0 "[ . 1 . 2]" 1
1449 1 68 GLN QG 1 69 PHE H . . 3.890 3.680 3.372 3.840 . 0 0 "[ . 1 . 2]" 1
1450 1 69 PHE H 1 69 PHE HB2 . . 3.130 2.276 2.232 2.310 . 0 0 "[ . 1 . 2]" 1
1451 1 69 PHE H 1 69 PHE HB3 . . 3.690 3.545 3.524 3.558 . 0 0 "[ . 1 . 2]" 1
1452 1 69 PHE H 1 69 PHE QD . . 3.480 2.086 1.900 2.434 . 0 0 "[ . 1 . 2]" 1
1453 1 69 PHE HA 1 69 PHE QD . . 4.020 2.806 2.315 3.085 . 0 0 "[ . 1 . 2]" 1
1454 1 69 PHE HA 1 70 PRO HD2 . . 3.420 2.442 2.411 2.476 . 0 0 "[ . 1 . 2]" 1
1455 1 69 PHE HA 1 70 PRO HD3 . . 3.160 2.315 2.302 2.330 . 0 0 "[ . 1 . 2]" 1
1456 1 69 PHE HB2 1 70 PRO HD2 . . 3.960 3.653 3.612 3.695 . 0 0 "[ . 1 . 2]" 1
1457 1 69 PHE HB2 1 70 PRO HD3 . . 4.750 4.723 4.697 4.750 0.000 16 0 "[ . 1 . 2]" 1
1458 1 69 PHE HB3 1 70 PRO HD2 . . 3.400 2.058 2.004 2.134 . 0 0 "[ . 1 . 2]" 1
1459 1 69 PHE HB3 1 70 PRO HD3 . . 3.900 3.500 3.453 3.562 . 0 0 "[ . 1 . 2]" 1
1460 1 69 PHE QD 1 70 PRO HD2 . . 3.770 2.911 2.573 3.247 . 0 0 "[ . 1 . 2]" 1
1461 1 69 PHE QD 1 70 PRO HD3 . . 4.360 4.185 3.948 4.301 . 0 0 "[ . 1 . 2]" 1
1462 1 71 THR HA 1 71 THR MG . . 3.470 2.433 2.138 3.196 . 0 0 "[ . 1 . 2]" 1
1463 1 74 GLY QA 1 75 PRO QD . . 3.260 2.000 1.901 2.296 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 5:39:02 AM GMT (wattos1)