NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577238 |
2mf4   |
19536 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mf4
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 1922
_Distance_constraint_stats_list.Viol_count 1786
_Distance_constraint_stats_list.Viol_total 755.019
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0211
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.122 0.047 4 0 "[ . 1 . 2]"
1 6 GLY 1.087 0.092 15 0 "[ . 1 . 2]"
1 7 ARG 2.670 0.092 15 0 "[ . 1 . 2]"
1 8 GLN 0.482 0.038 2 0 "[ . 1 . 2]"
1 9 GLU 0.296 0.047 4 0 "[ . 1 . 2]"
1 10 GLU 0.489 0.035 20 0 "[ . 1 . 2]"
1 11 ILE 1.251 0.043 17 0 "[ . 1 . 2]"
1 12 ALA 0.080 0.060 5 0 "[ . 1 . 2]"
1 13 GLU 0.170 0.060 5 0 "[ . 1 . 2]"
1 14 GLU 0.544 0.051 5 0 "[ . 1 . 2]"
1 15 VAL 1.881 0.065 6 0 "[ . 1 . 2]"
1 16 ALA 0.551 0.040 10 0 "[ . 1 . 2]"
1 17 ARG 1.470 0.065 6 0 "[ . 1 . 2]"
1 18 LEU 1.625 0.052 2 0 "[ . 1 . 2]"
1 19 LEU 3.195 0.064 20 0 "[ . 1 . 2]"
1 20 ALA 1.291 0.064 20 0 "[ . 1 . 2]"
1 21 GLY 0.874 0.061 11 0 "[ . 1 . 2]"
1 22 VAL 2.535 0.057 19 0 "[ . 1 . 2]"
1 23 LEU 0.921 0.038 9 0 "[ . 1 . 2]"
1 24 TYR 0.581 0.033 1 0 "[ . 1 . 2]"
1 25 LEU 0.944 0.035 20 0 "[ . 1 . 2]"
1 26 GLU 0.471 0.035 20 0 "[ . 1 . 2]"
1 27 PRO 0.017 0.016 19 0 "[ . 1 . 2]"
1 28 ASP 0.024 0.012 13 0 "[ . 1 . 2]"
1 29 ARG 1.408 0.134 19 0 "[ . 1 . 2]"
1 30 LEU 0.622 0.025 15 0 "[ . 1 . 2]"
1 31 ASP 0.838 0.052 11 0 "[ . 1 . 2]"
1 32 PRO 0.049 0.049 17 0 "[ . 1 . 2]"
1 33 GLU 0.347 0.049 17 0 "[ . 1 . 2]"
1 34 GLU 0.778 0.075 15 0 "[ . 1 . 2]"
1 35 THR 0.091 0.028 13 0 "[ . 1 . 2]"
1 36 PHE 1.482 0.042 13 0 "[ . 1 . 2]"
1 37 LEU 0.315 0.021 3 0 "[ . 1 . 2]"
1 38 THR 0.465 0.075 15 0 "[ . 1 . 2]"
1 39 LEU 0.454 0.022 14 0 "[ . 1 . 2]"
1 40 GLY 0.215 0.035 20 0 "[ . 1 . 2]"
1 41 VAL 1.373 0.042 13 0 "[ . 1 . 2]"
1 42 ASP 0.019 0.019 12 0 "[ . 1 . 2]"
1 43 SER 0.030 0.019 12 0 "[ . 1 . 2]"
1 44 ILE 0.120 0.021 17 0 "[ . 1 . 2]"
1 45 LEU 1.141 0.038 9 0 "[ . 1 . 2]"
1 46 GLY 0.007 0.007 20 0 "[ . 1 . 2]"
1 47 VAL 0.458 0.026 1 0 "[ . 1 . 2]"
1 48 GLU 1.132 0.065 6 0 "[ . 1 . 2]"
1 49 PHE 1.722 0.049 16 0 "[ . 1 . 2]"
1 50 VAL 3.077 0.065 6 0 "[ . 1 . 2]"
1 51 ALA 0.681 0.027 3 0 "[ . 1 . 2]"
1 52 ALA 0.400 0.022 17 0 "[ . 1 . 2]"
1 53 VAL 1.363 0.052 2 0 "[ . 1 . 2]"
1 54 ASN 1.405 0.052 16 0 "[ . 1 . 2]"
1 55 ALA 0.253 0.026 3 0 "[ . 1 . 2]"
1 56 ALA 0.005 0.005 18 0 "[ . 1 . 2]"
1 57 TYR 1.787 0.089 18 0 "[ . 1 . 2]"
1 58 PRO 1.440 0.089 18 0 "[ . 1 . 2]"
1 59 VAL 1.637 0.057 17 0 "[ . 1 . 2]"
1 60 GLY 0.923 0.044 11 0 "[ . 1 . 2]"
1 61 VAL 3.131 0.052 16 0 "[ . 1 . 2]"
1 62 LYS 0.270 0.086 18 0 "[ . 1 . 2]"
1 63 ALA 0.464 0.023 1 0 "[ . 1 . 2]"
1 64 THR 0.414 0.040 10 0 "[ . 1 . 2]"
1 65 ALA 1.377 0.071 20 0 "[ . 1 . 2]"
1 66 LEU 1.451 0.030 5 0 "[ . 1 . 2]"
1 67 TYR 0.722 0.063 20 0 "[ . 1 . 2]"
1 68 ASP 0.403 0.043 20 0 "[ . 1 . 2]"
1 69 HIS 1.826 0.095 5 0 "[ . 1 . 2]"
1 70 PRO 1.901 0.095 5 0 "[ . 1 . 2]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PRO 0.778 0.030 9 0 "[ . 1 . 2]"
1 73 ALA 0.023 0.009 19 0 "[ . 1 . 2]"
1 74 ALA 0.297 0.028 13 0 "[ . 1 . 2]"
1 75 PHE 0.800 0.057 17 0 "[ . 1 . 2]"
1 76 ALA 0.070 0.020 8 0 "[ . 1 . 2]"
1 77 ARG 0.244 0.023 1 0 "[ . 1 . 2]"
1 78 HIS 0.772 0.030 14 0 "[ . 1 . 2]"
1 79 ILE 3.238 0.071 20 0 "[ . 1 . 2]"
1 80 ALA 0.220 0.033 18 0 "[ . 1 . 2]"
1 81 GLU 0.678 0.035 13 0 "[ . 1 . 2]"
1 82 SER 0.689 0.032 3 0 "[ . 1 . 2]"
1 83 LEU 0.774 0.058 10 0 "[ . 1 . 2]"
1 84 GLY 0.731 0.058 10 0 "[ . 1 . 2]"
1 85 ALA 0.067 0.019 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 PRO HD2 . . 3.790 2.512 2.110 2.782 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 PRO HD3 . . 3.790 2.222 2.039 2.535 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 3 GLY H . . 3.770 3.439 3.301 3.581 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO QD 1 3 GLY H . . 4.690 2.838 2.700 3.157 . 0 0 "[ . 1 . 2]" 1
5 1 5 ALA H 1 5 ALA MB . . 2.970 2.268 2.199 2.683 . 0 0 "[ . 1 . 2]" 1
6 1 5 ALA H 1 6 GLY QA . . 5.370 5.160 4.609 5.351 . 0 0 "[ . 1 . 2]" 1
7 1 5 ALA HA 1 6 GLY H . . 3.270 2.263 2.136 2.487 . 0 0 "[ . 1 . 2]" 1
8 1 5 ALA HA 1 9 GLU H . . 4.920 4.749 4.103 4.967 0.047 4 0 "[ . 1 . 2]" 1
9 1 5 ALA HA 1 9 GLU QB . . 4.670 4.188 3.278 4.645 . 0 0 "[ . 1 . 2]" 1
10 1 5 ALA MB 1 6 GLY H . . 3.570 2.776 2.254 3.193 . 0 0 "[ . 1 . 2]" 1
11 1 5 ALA MB 1 6 GLY QA . . 4.690 3.735 3.367 3.902 . 0 0 "[ . 1 . 2]" 1
12 1 6 GLY H 1 7 ARG H . . 4.300 4.353 4.325 4.392 0.092 15 0 "[ . 1 . 2]" 1
13 1 6 GLY H 1 9 GLU H . . 4.650 3.545 3.108 4.018 . 0 0 "[ . 1 . 2]" 1
14 1 6 GLY H 1 9 GLU QB . . 4.220 3.503 2.575 4.231 0.011 10 0 "[ . 1 . 2]" 1
15 1 6 GLY H 1 9 GLU QG . . 4.220 2.846 2.090 3.646 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLY QA 1 7 ARG H . . 3.030 2.215 2.094 2.295 . 0 0 "[ . 1 . 2]" 1
17 1 6 GLY QA 1 8 GLN H . . 4.370 3.454 3.250 4.183 . 0 0 "[ . 1 . 2]" 1
18 1 6 GLY QA 1 9 GLU H . . 4.470 4.255 3.824 4.477 0.007 19 0 "[ . 1 . 2]" 1
19 1 7 ARG H 1 7 ARG HB2 . . 3.930 2.313 2.120 2.482 . 0 0 "[ . 1 . 2]" 1
20 1 7 ARG H 1 7 ARG QB . . 3.270 2.275 2.073 2.441 . 0 0 "[ . 1 . 2]" 1
21 1 7 ARG H 1 7 ARG HB3 . . 3.930 3.404 2.823 3.641 . 0 0 "[ . 1 . 2]" 1
22 1 7 ARG H 1 7 ARG QD . . 5.070 4.124 3.548 4.413 . 0 0 "[ . 1 . 2]" 1
23 1 7 ARG H 1 7 ARG QG . . 3.720 2.825 2.227 3.789 0.069 7 0 "[ . 1 . 2]" 1
24 1 7 ARG H 1 8 GLN H . . 3.370 2.864 2.665 3.091 . 0 0 "[ . 1 . 2]" 1
25 1 7 ARG H 1 8 GLN QG . . 5.610 4.340 3.949 4.652 . 0 0 "[ . 1 . 2]" 1
26 1 7 ARG H 1 10 GLU QG . . 5.440 4.952 4.510 5.309 . 0 0 "[ . 1 . 2]" 1
27 1 7 ARG H 1 11 ILE MD . . 5.370 5.297 5.048 5.399 0.029 5 0 "[ . 1 . 2]" 1
28 1 7 ARG HA 1 7 ARG HD2 . . 4.500 3.998 2.130 4.563 0.063 15 0 "[ . 1 . 2]" 1
29 1 7 ARG HA 1 7 ARG QD . . 3.910 3.647 2.117 3.995 0.085 19 0 "[ . 1 . 2]" 1
30 1 7 ARG HA 1 7 ARG HD3 . . 4.500 4.376 3.682 4.577 0.077 11 0 "[ . 1 . 2]" 1
31 1 7 ARG HA 1 7 ARG HE . . 5.150 4.701 4.190 5.177 0.027 15 0 "[ . 1 . 2]" 1
32 1 7 ARG HA 1 7 ARG QG . . 3.710 2.305 2.139 2.920 . 0 0 "[ . 1 . 2]" 1
33 1 7 ARG HA 1 9 GLU H . . 5.380 3.970 3.639 4.321 . 0 0 "[ . 1 . 2]" 1
34 1 7 ARG HA 1 10 GLU H . . 3.960 3.140 2.757 3.324 . 0 0 "[ . 1 . 2]" 1
35 1 7 ARG HA 1 10 GLU QB . . 4.390 2.883 2.290 4.383 . 0 0 "[ . 1 . 2]" 1
36 1 7 ARG HA 1 10 GLU HG2 . . 4.840 4.013 2.182 4.875 0.035 20 0 "[ . 1 . 2]" 1
37 1 7 ARG HA 1 10 GLU QG . . 4.020 2.871 2.161 3.603 . 0 0 "[ . 1 . 2]" 1
38 1 7 ARG HA 1 10 GLU HG3 . . 4.840 3.181 2.804 3.716 . 0 0 "[ . 1 . 2]" 1
39 1 7 ARG HA 1 11 ILE H . . 4.990 3.992 3.502 4.252 . 0 0 "[ . 1 . 2]" 1
40 1 7 ARG QB 1 7 ARG QD . . 3.450 2.315 2.102 2.806 . 0 0 "[ . 1 . 2]" 1
41 1 7 ARG QB 1 7 ARG HE . . 4.200 3.111 2.140 4.072 . 0 0 "[ . 1 . 2]" 1
42 1 7 ARG QB 1 9 GLU H . . 5.440 4.902 4.642 5.171 . 0 0 "[ . 1 . 2]" 1
43 1 7 ARG QB 1 11 ILE MD . . 3.980 2.731 2.393 3.203 . 0 0 "[ . 1 . 2]" 1
44 1 7 ARG HB2 1 7 ARG HE . . 4.990 3.635 2.168 4.801 . 0 0 "[ . 1 . 2]" 1
45 1 7 ARG HB2 1 8 GLN H . . 4.000 3.408 2.826 4.038 0.038 2 0 "[ . 1 . 2]" 1
46 1 7 ARG HB2 1 11 ILE MD . . 4.580 3.883 3.361 4.468 . 0 0 "[ . 1 . 2]" 1
47 1 7 ARG HB3 1 7 ARG HE . . 4.990 3.679 2.582 4.494 . 0 0 "[ . 1 . 2]" 1
48 1 7 ARG HB3 1 8 GLN H . . 4.000 3.653 3.002 4.018 0.018 9 0 "[ . 1 . 2]" 1
49 1 7 ARG HB3 1 11 ILE MD . . 4.580 2.794 2.416 3.282 . 0 0 "[ . 1 . 2]" 1
50 1 7 ARG HE 1 7 ARG QG . . 3.770 2.460 2.189 3.165 . 0 0 "[ . 1 . 2]" 1
51 1 7 ARG HE 1 11 ILE MD . . 5.210 4.177 2.597 5.225 0.015 15 0 "[ . 1 . 2]" 1
52 1 7 ARG QG 1 8 GLN H . . 4.800 4.400 4.256 4.530 . 0 0 "[ . 1 . 2]" 1
53 1 7 ARG QG 1 9 GLU H . . 5.780 5.546 4.979 5.800 0.020 18 0 "[ . 1 . 2]" 1
54 1 7 ARG QG 1 10 GLU H . . 5.780 4.819 3.827 5.745 . 0 0 "[ . 1 . 2]" 1
55 1 7 ARG QG 1 11 ILE MD . . 4.490 3.723 2.157 4.503 0.013 8 0 "[ . 1 . 2]" 1
56 1 8 GLN H 1 8 GLN QB . . 2.970 2.482 2.339 2.595 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLN H 1 8 GLN HG2 . . 4.080 3.262 2.290 3.617 . 0 0 "[ . 1 . 2]" 1
58 1 8 GLN H 1 8 GLN QG . . 3.480 2.243 2.066 2.399 . 0 0 "[ . 1 . 2]" 1
59 1 8 GLN H 1 8 GLN HG3 . . 4.080 2.335 2.098 3.331 . 0 0 "[ . 1 . 2]" 1
60 1 8 GLN H 1 9 GLU H . . 4.580 2.836 2.719 2.938 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLN H 1 9 GLU HA . . 5.780 5.465 5.402 5.525 . 0 0 "[ . 1 . 2]" 1
62 1 8 GLN H 1 10 GLU H . . 4.470 4.316 4.215 4.505 0.035 4 0 "[ . 1 . 2]" 1
63 1 8 GLN H 1 11 ILE MD . . 5.020 4.217 3.984 4.445 . 0 0 "[ . 1 . 2]" 1
64 1 8 GLN H 1 80 ALA MB . . 4.590 3.736 3.252 4.191 . 0 0 "[ . 1 . 2]" 1
65 1 8 GLN H 1 85 ALA HA . . 5.780 4.901 4.156 5.611 . 0 0 "[ . 1 . 2]" 1
66 1 8 GLN H 1 85 ALA MB . . 4.620 2.839 2.407 3.702 . 0 0 "[ . 1 . 2]" 1
67 1 8 GLN HA 1 8 GLN QE . . 5.510 4.528 4.022 4.808 . 0 0 "[ . 1 . 2]" 1
68 1 8 GLN HA 1 8 GLN HG2 . . 4.390 2.568 2.416 3.859 . 0 0 "[ . 1 . 2]" 1
69 1 8 GLN HA 1 8 GLN HG3 . . 4.390 3.221 2.896 3.758 . 0 0 "[ . 1 . 2]" 1
70 1 8 GLN HA 1 10 GLU H . . 4.850 4.552 4.342 4.707 . 0 0 "[ . 1 . 2]" 1
71 1 8 GLN HA 1 11 ILE H . . 4.160 3.763 3.307 4.039 . 0 0 "[ . 1 . 2]" 1
72 1 8 GLN HA 1 11 ILE HB . . 4.060 2.885 2.341 3.397 . 0 0 "[ . 1 . 2]" 1
73 1 8 GLN HA 1 11 ILE MD . . 4.210 3.018 2.587 3.526 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLN HA 1 11 ILE MG . . 5.110 4.125 3.710 4.605 . 0 0 "[ . 1 . 2]" 1
75 1 8 GLN HA 1 12 ALA H . . 4.600 4.031 3.746 4.390 . 0 0 "[ . 1 . 2]" 1
76 1 8 GLN HA 1 80 ALA MB . . 3.450 2.297 2.130 2.579 . 0 0 "[ . 1 . 2]" 1
77 1 8 GLN HA 1 85 ALA MB . . 4.640 3.706 3.024 4.313 . 0 0 "[ . 1 . 2]" 1
78 1 8 GLN QB 1 8 GLN QE . . 3.650 3.298 2.284 3.642 . 0 0 "[ . 1 . 2]" 1
79 1 8 GLN QB 1 12 ALA H . . 5.400 4.773 4.545 5.254 . 0 0 "[ . 1 . 2]" 1
80 1 8 GLN QB 1 80 ALA MB . . 4.420 3.292 1.930 3.603 . 0 0 "[ . 1 . 2]" 1
81 1 8 GLN HB2 1 80 ALA MB . . 5.040 4.149 2.467 4.454 . 0 0 "[ . 1 . 2]" 1
82 1 8 GLN HB3 1 80 ALA MB . . 5.040 3.461 2.016 3.839 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLN QE 1 77 ARG HA . . 4.270 3.866 3.129 4.291 0.021 7 0 "[ . 1 . 2]" 1
84 1 8 GLN QE 1 77 ARG QB . . 5.060 3.727 2.753 4.250 . 0 0 "[ . 1 . 2]" 1
85 1 8 GLN QE 1 77 ARG QG . . 4.040 3.264 2.326 4.055 0.015 12 0 "[ . 1 . 2]" 1
86 1 8 GLN QE 1 80 ALA MB . . 3.940 3.122 2.693 3.300 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLN QE 1 85 ALA MB . . 4.890 3.388 2.717 4.313 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLN HE21 1 77 ARG HA . . 4.950 4.107 3.171 4.855 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLN HE21 1 80 ALA MB . . 4.560 3.195 2.727 3.425 . 0 0 "[ . 1 . 2]" 1
90 1 8 GLN HE22 1 77 ARG HA . . 4.950 4.911 4.672 4.973 0.023 1 0 "[ . 1 . 2]" 1
91 1 8 GLN HE22 1 80 ALA MB . . 4.560 4.432 4.169 4.585 0.025 3 0 "[ . 1 . 2]" 1
92 1 8 GLN QG 1 80 ALA MB . . 3.740 2.149 1.995 3.663 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLN HG2 1 80 ALA MB . . 4.250 2.198 2.025 3.979 . 0 0 "[ . 1 . 2]" 1
94 1 8 GLN HG3 1 80 ALA MB . . 4.250 3.202 2.471 4.283 0.033 18 0 "[ . 1 . 2]" 1
95 1 9 GLU H 1 9 GLU QB . . 2.880 2.490 2.411 2.706 . 0 0 "[ . 1 . 2]" 1
96 1 9 GLU H 1 9 GLU QG . . 3.400 2.290 2.114 2.469 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLU H 1 10 GLU H . . 3.150 2.574 2.296 2.813 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLU H 1 10 GLU HA . . 5.670 5.265 5.021 5.415 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLU H 1 10 GLU QG . . 4.330 4.124 3.983 4.326 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLU H 1 11 ILE H . . 4.600 4.133 3.917 4.283 . 0 0 "[ . 1 . 2]" 1
101 1 9 GLU H 1 11 ILE HB . . 5.780 5.188 4.921 5.345 . 0 0 "[ . 1 . 2]" 1
102 1 9 GLU H 1 12 ALA H . . 4.990 4.667 4.544 4.832 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLU H 1 12 ALA MB . . 5.090 4.670 4.547 4.864 . 0 0 "[ . 1 . 2]" 1
104 1 9 GLU HA 1 9 GLU QG . . 3.680 2.930 2.394 3.374 . 0 0 "[ . 1 . 2]" 1
105 1 9 GLU HA 1 12 ALA H . . 3.970 3.419 3.164 3.782 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLU HA 1 12 ALA MB . . 3.270 2.522 2.292 2.988 . 0 0 "[ . 1 . 2]" 1
107 1 9 GLU QB 1 10 GLU H . . 4.060 3.001 2.495 3.724 . 0 0 "[ . 1 . 2]" 1
108 1 9 GLU QB 1 12 ALA H . . 5.780 4.911 4.660 5.281 . 0 0 "[ . 1 . 2]" 1
109 1 9 GLU QG 1 10 GLU H . . 4.540 3.522 2.399 4.184 . 0 0 "[ . 1 . 2]" 1
110 1 9 GLU QG 1 11 ILE H . . 5.780 5.396 4.548 5.808 0.028 18 0 "[ . 1 . 2]" 1
111 1 10 GLU H 1 10 GLU QB . . 3.120 2.502 2.350 2.870 . 0 0 "[ . 1 . 2]" 1
112 1 10 GLU H 1 10 GLU QG . . 3.180 2.250 2.116 2.322 . 0 0 "[ . 1 . 2]" 1
113 1 10 GLU H 1 11 ILE H . . 3.290 2.596 2.315 2.725 . 0 0 "[ . 1 . 2]" 1
114 1 10 GLU H 1 11 ILE HB . . 4.890 4.664 4.422 4.846 . 0 0 "[ . 1 . 2]" 1
115 1 10 GLU H 1 11 ILE MD . . 5.020 5.016 4.901 5.055 0.035 20 0 "[ . 1 . 2]" 1
116 1 10 GLU H 1 12 ALA H . . 4.680 4.082 3.936 4.234 . 0 0 "[ . 1 . 2]" 1
117 1 10 GLU H 1 13 GLU H . . 4.910 4.731 4.594 4.920 0.010 5 0 "[ . 1 . 2]" 1
118 1 10 GLU QB 1 11 ILE H . . 3.920 2.737 2.474 3.644 . 0 0 "[ . 1 . 2]" 1
119 1 10 GLU QB 1 11 ILE HA . . 5.180 4.132 3.951 4.675 . 0 0 "[ . 1 . 2]" 1
120 1 10 GLU QB 1 11 ILE HG13 . . 5.210 3.369 2.963 4.590 . 0 0 "[ . 1 . 2]" 1
121 1 10 GLU QG 1 11 ILE H . . 4.200 3.825 2.435 4.131 . 0 0 "[ . 1 . 2]" 1
122 1 10 GLU QG 1 11 ILE HG13 . . 5.350 4.762 2.496 5.319 . 0 0 "[ . 1 . 2]" 1
123 1 10 GLU HG2 1 11 ILE H . . 4.940 4.576 3.057 4.974 0.034 5 0 "[ . 1 . 2]" 1
124 1 10 GLU HG3 1 11 ILE H . . 4.940 4.154 2.534 4.938 . 0 0 "[ . 1 . 2]" 1
125 1 11 ILE H 1 11 ILE HB . . 3.010 2.388 2.351 2.436 . 0 0 "[ . 1 . 2]" 1
126 1 11 ILE H 1 11 ILE MD . . 3.740 3.444 3.289 3.573 . 0 0 "[ . 1 . 2]" 1
127 1 11 ILE H 1 11 ILE HG12 . . 4.440 3.700 3.626 3.832 . 0 0 "[ . 1 . 2]" 1
128 1 11 ILE H 1 11 ILE HG13 . . 3.190 2.353 2.263 2.497 . 0 0 "[ . 1 . 2]" 1
129 1 11 ILE H 1 11 ILE MG . . 4.020 3.777 3.756 3.796 . 0 0 "[ . 1 . 2]" 1
130 1 11 ILE H 1 12 ALA H . . 3.240 2.710 2.503 2.790 . 0 0 "[ . 1 . 2]" 1
131 1 11 ILE H 1 12 ALA MB . . 4.800 4.362 4.199 4.426 . 0 0 "[ . 1 . 2]" 1
132 1 11 ILE H 1 14 GLU H . . 5.410 4.807 4.708 5.087 . 0 0 "[ . 1 . 2]" 1
133 1 11 ILE HA 1 11 ILE MD . . 4.160 3.885 3.858 3.906 . 0 0 "[ . 1 . 2]" 1
134 1 11 ILE HA 1 11 ILE HG12 . . 4.000 2.588 2.512 2.699 . 0 0 "[ . 1 . 2]" 1
135 1 11 ILE HA 1 11 ILE HG13 . . 3.970 2.803 2.732 2.864 . 0 0 "[ . 1 . 2]" 1
136 1 11 ILE HA 1 11 ILE MG . . 3.500 2.508 2.481 2.532 . 0 0 "[ . 1 . 2]" 1
137 1 11 ILE HA 1 13 GLU H . . 5.050 4.584 4.483 4.686 . 0 0 "[ . 1 . 2]" 1
138 1 11 ILE HA 1 14 GLU H . . 3.850 3.497 3.362 3.739 . 0 0 "[ . 1 . 2]" 1
139 1 11 ILE HA 1 14 GLU HB2 . . 4.450 3.800 3.571 4.076 . 0 0 "[ . 1 . 2]" 1
140 1 11 ILE HA 1 14 GLU HB3 . . 4.130 2.926 2.807 3.127 . 0 0 "[ . 1 . 2]" 1
141 1 11 ILE HA 1 14 GLU HG2 . . 5.320 4.713 4.513 4.854 . 0 0 "[ . 1 . 2]" 1
142 1 11 ILE HA 1 14 GLU HG3 . . 5.320 5.238 5.090 5.332 0.012 5 0 "[ . 1 . 2]" 1
143 1 11 ILE HA 1 15 VAL H . . 4.540 3.937 3.764 4.182 . 0 0 "[ . 1 . 2]" 1
144 1 11 ILE HA 1 15 VAL MG2 . . 4.630 4.025 3.819 4.206 . 0 0 "[ . 1 . 2]" 1
145 1 11 ILE HA 1 57 TYR QE . . 4.450 3.716 3.410 3.907 . 0 0 "[ . 1 . 2]" 1
146 1 11 ILE HA 1 79 ILE MG . . 5.630 4.801 4.561 4.998 . 0 0 "[ . 1 . 2]" 1
147 1 11 ILE HB 1 11 ILE MD . . 3.390 2.395 2.349 2.456 . 0 0 "[ . 1 . 2]" 1
148 1 11 ILE HB 1 12 ALA H . . 3.400 2.785 2.706 2.936 . 0 0 "[ . 1 . 2]" 1
149 1 11 ILE HB 1 80 ALA MB . . 4.670 2.862 2.672 3.107 . 0 0 "[ . 1 . 2]" 1
150 1 11 ILE MD 1 12 ALA H . . 4.760 4.703 4.619 4.772 0.012 5 0 "[ . 1 . 2]" 1
151 1 11 ILE MD 1 57 TYR QE . . 4.210 3.676 3.304 4.208 . 0 0 "[ . 1 . 2]" 1
152 1 11 ILE MD 1 76 ALA HA . . 5.780 5.316 4.861 5.636 . 0 0 "[ . 1 . 2]" 1
153 1 11 ILE MD 1 79 ILE MG . . 4.200 2.665 2.331 3.160 . 0 0 "[ . 1 . 2]" 1
154 1 11 ILE MD 1 80 ALA H . . 4.250 3.469 3.134 3.737 . 0 0 "[ . 1 . 2]" 1
155 1 11 ILE MD 1 80 ALA HA . . 3.520 2.136 2.037 2.200 . 0 0 "[ . 1 . 2]" 1
156 1 11 ILE MD 1 80 ALA MB . . 3.400 2.223 2.115 2.351 . 0 0 "[ . 1 . 2]" 1
157 1 11 ILE MD 1 83 LEU H . . 5.090 4.379 4.174 4.843 . 0 0 "[ . 1 . 2]" 1
158 1 11 ILE MD 1 83 LEU QB . . 5.000 2.848 2.543 3.370 . 0 0 "[ . 1 . 2]" 1
159 1 11 ILE MD 1 84 GLY QA . . 5.780 5.805 5.783 5.823 0.043 17 0 "[ . 1 . 2]" 1
160 1 11 ILE MD 1 85 ALA MB . . 3.850 3.158 2.152 3.867 0.017 17 0 "[ . 1 . 2]" 1
161 1 11 ILE HG12 1 57 TYR QE . . 3.940 2.698 2.358 3.287 . 0 0 "[ . 1 . 2]" 1
162 1 11 ILE HG13 1 11 ILE MG . . 3.640 3.225 3.204 3.236 . 0 0 "[ . 1 . 2]" 1
163 1 11 ILE HG13 1 57 TYR QD . . 5.780 5.700 5.431 5.811 0.031 8 0 "[ . 1 . 2]" 1
164 1 11 ILE HG13 1 57 TYR QE . . 4.820 3.992 3.850 4.312 . 0 0 "[ . 1 . 2]" 1
165 1 11 ILE MG 1 12 ALA H . . 3.790 3.418 3.322 3.587 . 0 0 "[ . 1 . 2]" 1
166 1 11 ILE MG 1 12 ALA HA . . 4.010 3.585 3.500 3.675 . 0 0 "[ . 1 . 2]" 1
167 1 11 ILE MG 1 12 ALA MB . . 4.360 4.041 3.948 4.172 . 0 0 "[ . 1 . 2]" 1
168 1 11 ILE MG 1 14 GLU H . . 5.150 4.857 4.558 4.974 . 0 0 "[ . 1 . 2]" 1
169 1 11 ILE MG 1 14 GLU HB3 . . 4.600 4.139 3.867 4.390 . 0 0 "[ . 1 . 2]" 1
170 1 11 ILE MG 1 15 VAL H . . 4.420 4.058 3.864 4.165 . 0 0 "[ . 1 . 2]" 1
171 1 11 ILE MG 1 15 VAL HB . . 5.100 4.074 3.875 4.230 . 0 0 "[ . 1 . 2]" 1
172 1 11 ILE MG 1 15 VAL MG2 . . 3.240 2.704 2.478 2.845 . 0 0 "[ . 1 . 2]" 1
173 1 11 ILE MG 1 57 TYR QB . . 5.330 4.505 4.341 4.617 . 0 0 "[ . 1 . 2]" 1
174 1 11 ILE MG 1 57 TYR QD . . 4.390 3.871 3.614 4.039 . 0 0 "[ . 1 . 2]" 1
175 1 11 ILE MG 1 57 TYR QE . . 4.260 3.149 2.785 3.403 . 0 0 "[ . 1 . 2]" 1
176 1 11 ILE MG 1 76 ALA H . . 5.780 4.925 4.719 5.105 . 0 0 "[ . 1 . 2]" 1
177 1 11 ILE MG 1 76 ALA HA . . 3.980 2.795 2.536 3.032 . 0 0 "[ . 1 . 2]" 1
178 1 11 ILE MG 1 76 ALA MB . . 3.560 2.255 2.200 2.302 . 0 0 "[ . 1 . 2]" 1
179 1 11 ILE MG 1 79 ILE H . . 4.870 4.367 4.200 4.530 . 0 0 "[ . 1 . 2]" 1
180 1 11 ILE MG 1 79 ILE HA . . 5.200 4.586 4.471 4.725 . 0 0 "[ . 1 . 2]" 1
181 1 11 ILE MG 1 79 ILE HB . . 3.620 2.366 2.126 2.581 . 0 0 "[ . 1 . 2]" 1
182 1 11 ILE MG 1 79 ILE MD . . 4.080 2.936 2.663 3.158 . 0 0 "[ . 1 . 2]" 1
183 1 11 ILE MG 1 79 ILE MG . . 3.200 2.219 2.120 2.326 . 0 0 "[ . 1 . 2]" 1
184 1 11 ILE MG 1 80 ALA H . . 3.840 3.016 2.900 3.163 . 0 0 "[ . 1 . 2]" 1
185 1 11 ILE MG 1 80 ALA HA . . 4.000 3.506 3.254 3.903 . 0 0 "[ . 1 . 2]" 1
186 1 11 ILE MG 1 80 ALA MB . . 3.530 2.825 2.565 3.233 . 0 0 "[ . 1 . 2]" 1
187 1 11 ILE MG 1 81 GLU H . . 5.780 5.421 5.302 5.629 . 0 0 "[ . 1 . 2]" 1
188 1 12 ALA H 1 12 ALA MB . . 2.810 2.223 2.201 2.234 . 0 0 "[ . 1 . 2]" 1
189 1 12 ALA H 1 13 GLU H . . 3.320 2.822 2.690 2.894 . 0 0 "[ . 1 . 2]" 1
190 1 12 ALA H 1 13 GLU QB . . 4.860 4.721 4.561 4.920 0.060 5 0 "[ . 1 . 2]" 1
191 1 12 ALA H 1 13 GLU QG . . 5.610 4.867 3.948 5.256 . 0 0 "[ . 1 . 2]" 1
192 1 12 ALA H 1 14 GLU HB3 . . 5.780 5.537 5.453 5.641 . 0 0 "[ . 1 . 2]" 1
193 1 12 ALA H 1 15 VAL H . . 5.150 4.826 4.777 4.906 . 0 0 "[ . 1 . 2]" 1
194 1 12 ALA H 1 15 VAL HB . . 5.780 4.942 4.852 5.130 . 0 0 "[ . 1 . 2]" 1
195 1 12 ALA H 1 15 VAL MG2 . . 5.110 4.883 4.761 4.969 . 0 0 "[ . 1 . 2]" 1
196 1 12 ALA H 1 80 ALA MB . . 5.220 4.760 4.572 5.110 . 0 0 "[ . 1 . 2]" 1
197 1 12 ALA HA 1 15 VAL H . . 4.130 3.560 3.439 3.750 . 0 0 "[ . 1 . 2]" 1
198 1 12 ALA HA 1 15 VAL HB . . 4.010 2.509 2.368 2.784 . 0 0 "[ . 1 . 2]" 1
199 1 12 ALA HA 1 76 ALA MB . . 3.080 2.052 2.006 2.142 . 0 0 "[ . 1 . 2]" 1
200 1 12 ALA MB 1 13 GLU H . . 3.170 2.650 2.587 2.709 . 0 0 "[ . 1 . 2]" 1
201 1 12 ALA MB 1 14 GLU H . . 4.900 4.670 4.496 4.723 . 0 0 "[ . 1 . 2]" 1
202 1 12 ALA MB 1 15 VAL H . . 5.350 4.795 4.727 4.937 . 0 0 "[ . 1 . 2]" 1
203 1 12 ALA MB 1 76 ALA H . . 5.780 4.637 4.437 4.863 . 0 0 "[ . 1 . 2]" 1
204 1 13 GLU H 1 13 GLU QB . . 3.010 2.312 2.192 2.522 . 0 0 "[ . 1 . 2]" 1
205 1 13 GLU H 1 13 GLU HG2 . . 3.940 3.471 2.206 3.934 . 0 0 "[ . 1 . 2]" 1
206 1 13 GLU H 1 13 GLU QG . . 3.350 2.587 2.171 2.856 . 0 0 "[ . 1 . 2]" 1
207 1 13 GLU H 1 13 GLU HG3 . . 3.940 2.903 2.520 3.696 . 0 0 "[ . 1 . 2]" 1
208 1 13 GLU H 1 14 GLU H . . 3.290 2.788 2.733 2.862 . 0 0 "[ . 1 . 2]" 1
209 1 13 GLU H 1 14 GLU HA . . 5.440 5.398 5.349 5.432 . 0 0 "[ . 1 . 2]" 1
210 1 13 GLU H 1 15 VAL H . . 4.610 4.355 4.281 4.453 . 0 0 "[ . 1 . 2]" 1
211 1 13 GLU H 1 15 VAL MG2 . . 5.780 5.582 5.526 5.642 . 0 0 "[ . 1 . 2]" 1
212 1 13 GLU H 1 76 ALA MB . . 5.530 4.774 4.719 4.866 . 0 0 "[ . 1 . 2]" 1
213 1 13 GLU HA 1 13 GLU QG . . 3.730 2.433 2.262 3.414 . 0 0 "[ . 1 . 2]" 1
214 1 13 GLU HA 1 15 VAL H . . 5.170 4.668 4.577 4.827 . 0 0 "[ . 1 . 2]" 1
215 1 13 GLU HA 1 17 ARG H . . 5.090 4.177 3.935 4.404 . 0 0 "[ . 1 . 2]" 1
216 1 13 GLU QB 1 14 GLU H . . 3.390 2.782 2.571 3.441 0.051 5 0 "[ . 1 . 2]" 1
217 1 13 GLU QB 1 14 GLU HB2 . . 4.700 4.174 3.850 4.748 0.048 5 0 "[ . 1 . 2]" 1
218 1 13 GLU QB 1 15 VAL H . . 5.470 4.907 4.774 5.309 . 0 0 "[ . 1 . 2]" 1
219 1 13 GLU QB 1 17 ARG HE . . 5.780 4.346 2.784 4.941 . 0 0 "[ . 1 . 2]" 1
220 1 14 GLU H 1 14 GLU HB2 . . 3.300 2.494 2.422 2.637 . 0 0 "[ . 1 . 2]" 1
221 1 14 GLU H 1 14 GLU HB3 . . 3.180 2.550 2.477 2.598 . 0 0 "[ . 1 . 2]" 1
222 1 14 GLU H 1 14 GLU HG2 . . 5.190 4.625 4.594 4.686 . 0 0 "[ . 1 . 2]" 1
223 1 14 GLU H 1 14 GLU QG . . 4.320 4.066 4.036 4.090 . 0 0 "[ . 1 . 2]" 1
224 1 14 GLU H 1 14 GLU HG3 . . 5.190 4.509 4.470 4.534 . 0 0 "[ . 1 . 2]" 1
225 1 14 GLU H 1 15 VAL H . . 3.210 2.681 2.457 2.741 . 0 0 "[ . 1 . 2]" 1
226 1 14 GLU H 1 15 VAL MG1 . . 5.780 5.722 5.524 5.790 0.010 11 0 "[ . 1 . 2]" 1
227 1 14 GLU H 1 15 VAL MG2 . . 4.590 4.570 4.300 4.608 0.018 1 0 "[ . 1 . 2]" 1
228 1 14 GLU H 1 16 ALA H . . 5.110 4.169 4.059 4.254 . 0 0 "[ . 1 . 2]" 1
229 1 14 GLU H 1 16 ALA MB . . 5.780 4.746 4.656 4.812 . 0 0 "[ . 1 . 2]" 1
230 1 14 GLU H 1 17 ARG H . . 5.760 4.705 4.618 4.839 . 0 0 "[ . 1 . 2]" 1
231 1 14 GLU H 1 76 ALA MB . . 5.780 5.343 5.106 5.451 . 0 0 "[ . 1 . 2]" 1
232 1 14 GLU HA 1 14 GLU HG2 . . 4.400 3.760 3.729 3.779 . 0 0 "[ . 1 . 2]" 1
233 1 14 GLU HA 1 14 GLU HG3 . . 4.400 3.080 2.880 3.165 . 0 0 "[ . 1 . 2]" 1
234 1 14 GLU HA 1 16 ALA H . . 5.190 4.493 4.405 4.684 . 0 0 "[ . 1 . 2]" 1
235 1 14 GLU HA 1 17 ARG H . . 3.760 3.272 3.142 3.585 . 0 0 "[ . 1 . 2]" 1
236 1 14 GLU HA 1 17 ARG QB . . 3.660 2.492 2.342 2.914 . 0 0 "[ . 1 . 2]" 1
237 1 14 GLU HA 1 17 ARG HE . . 3.840 2.559 2.395 2.732 . 0 0 "[ . 1 . 2]" 1
238 1 14 GLU HA 1 18 LEU H . . 4.710 3.910 3.795 4.078 . 0 0 "[ . 1 . 2]" 1
239 1 14 GLU HB2 1 15 VAL H . . 4.420 3.918 3.808 3.972 . 0 0 "[ . 1 . 2]" 1
240 1 14 GLU HB2 1 15 VAL MG2 . . 5.460 5.223 5.014 5.326 . 0 0 "[ . 1 . 2]" 1
241 1 14 GLU HB2 1 17 ARG HE . . 5.020 4.081 3.911 4.719 . 0 0 "[ . 1 . 2]" 1
242 1 14 GLU HB2 1 57 TYR QE . . 4.870 4.582 4.029 4.895 0.025 5 0 "[ . 1 . 2]" 1
243 1 14 GLU HB3 1 15 VAL H . . 3.260 2.665 2.548 2.716 . 0 0 "[ . 1 . 2]" 1
244 1 14 GLU HB3 1 57 TYR QE . . 5.120 3.207 2.731 3.527 . 0 0 "[ . 1 . 2]" 1
245 1 14 GLU QG 1 15 VAL H . . 3.760 3.768 3.701 3.798 0.038 9 0 "[ . 1 . 2]" 1
246 1 14 GLU QG 1 17 ARG H . . 5.610 5.101 4.983 5.276 . 0 0 "[ . 1 . 2]" 1
247 1 14 GLU QG 1 18 LEU MD2 . . 3.850 2.545 2.302 2.799 . 0 0 "[ . 1 . 2]" 1
248 1 14 GLU QG 1 18 LEU HG . . 5.290 4.727 4.538 4.952 . 0 0 "[ . 1 . 2]" 1
249 1 14 GLU QG 1 57 TYR QD . . 5.200 4.755 4.244 5.158 . 0 0 "[ . 1 . 2]" 1
250 1 14 GLU HG2 1 18 LEU MD2 . . 4.660 3.959 3.706 4.246 . 0 0 "[ . 1 . 2]" 1
251 1 14 GLU HG2 1 56 ALA MB . . 5.270 4.002 3.387 4.436 . 0 0 "[ . 1 . 2]" 1
252 1 14 GLU HG2 1 57 TYR QE . . 4.460 3.418 2.734 3.935 . 0 0 "[ . 1 . 2]" 1
253 1 14 GLU HG3 1 18 LEU MD2 . . 4.660 2.576 2.325 2.841 . 0 0 "[ . 1 . 2]" 1
254 1 14 GLU HG3 1 56 ALA MB . . 5.270 4.050 3.641 4.401 . 0 0 "[ . 1 . 2]" 1
255 1 14 GLU HG3 1 57 TYR QE . . 4.460 3.280 2.925 3.723 . 0 0 "[ . 1 . 2]" 1
256 1 15 VAL H 1 15 VAL HB . . 3.410 2.276 2.238 2.316 . 0 0 "[ . 1 . 2]" 1
257 1 15 VAL H 1 15 VAL MG1 . . 4.110 3.724 3.707 3.742 . 0 0 "[ . 1 . 2]" 1
258 1 15 VAL H 1 15 VAL MG2 . . 3.070 2.444 2.395 2.496 . 0 0 "[ . 1 . 2]" 1
259 1 15 VAL H 1 16 ALA H . . 3.220 2.870 2.841 2.915 . 0 0 "[ . 1 . 2]" 1
260 1 15 VAL H 1 16 ALA MB . . 5.090 4.434 4.408 4.477 . 0 0 "[ . 1 . 2]" 1
261 1 15 VAL H 1 17 ARG H . . 4.690 4.154 4.113 4.238 . 0 0 "[ . 1 . 2]" 1
262 1 15 VAL H 1 18 LEU MD2 . . 5.110 3.964 3.900 4.047 . 0 0 "[ . 1 . 2]" 1
263 1 15 VAL H 1 57 TYR QE . . 5.080 4.210 3.983 4.501 . 0 0 "[ . 1 . 2]" 1
264 1 15 VAL H 1 76 ALA MB . . 5.340 4.164 4.030 4.282 . 0 0 "[ . 1 . 2]" 1
265 1 15 VAL HA 1 15 VAL MG1 . . 3.570 2.598 2.551 2.633 . 0 0 "[ . 1 . 2]" 1
266 1 15 VAL HA 1 15 VAL MG2 . . 3.280 2.270 2.240 2.300 . 0 0 "[ . 1 . 2]" 1
267 1 15 VAL HA 1 16 ALA MB . . 5.680 5.038 5.025 5.047 . 0 0 "[ . 1 . 2]" 1
268 1 15 VAL HA 1 17 ARG H . . 4.990 4.338 4.265 4.423 . 0 0 "[ . 1 . 2]" 1
269 1 15 VAL HA 1 18 LEU H . . 4.080 3.565 3.456 3.671 . 0 0 "[ . 1 . 2]" 1
270 1 15 VAL HA 1 18 LEU HB2 . . 5.780 5.124 4.998 5.235 . 0 0 "[ . 1 . 2]" 1
271 1 15 VAL HA 1 18 LEU HB3 . . 4.350 4.037 3.863 4.199 . 0 0 "[ . 1 . 2]" 1
272 1 15 VAL HA 1 18 LEU MD1 . . 4.970 3.931 3.891 3.986 . 0 0 "[ . 1 . 2]" 1
273 1 15 VAL HA 1 18 LEU MD2 . . 4.030 2.441 2.290 2.516 . 0 0 "[ . 1 . 2]" 1
274 1 15 VAL HA 1 18 LEU HG . . 5.330 2.518 2.471 2.564 . 0 0 "[ . 1 . 2]" 1
275 1 15 VAL HA 1 19 LEU H . . 4.360 3.717 3.642 3.781 . 0 0 "[ . 1 . 2]" 1
276 1 15 VAL HA 1 49 PHE QD . . 5.780 5.093 4.989 5.220 . 0 0 "[ . 1 . 2]" 1
277 1 15 VAL HA 1 49 PHE QE . . 4.480 2.935 2.807 3.117 . 0 0 "[ . 1 . 2]" 1
278 1 15 VAL HA 1 49 PHE HZ . . 4.940 4.000 3.839 4.227 . 0 0 "[ . 1 . 2]" 1
279 1 15 VAL HA 1 53 VAL MG2 . . 4.680 3.768 3.673 3.836 . 0 0 "[ . 1 . 2]" 1
280 1 15 VAL HA 1 76 ALA MB . . 5.780 5.046 4.895 5.181 . 0 0 "[ . 1 . 2]" 1
281 1 15 VAL HB 1 16 ALA H . . 3.300 2.639 2.584 2.684 . 0 0 "[ . 1 . 2]" 1
282 1 15 VAL HB 1 17 ARG H . . 4.970 5.021 5.006 5.035 0.065 6 0 "[ . 1 . 2]" 1
283 1 15 VAL HB 1 76 ALA MB . . 3.870 2.712 2.518 2.827 . 0 0 "[ . 1 . 2]" 1
284 1 15 VAL MG1 1 16 ALA H . . 3.720 2.963 2.919 3.017 . 0 0 "[ . 1 . 2]" 1
285 1 15 VAL MG1 1 16 ALA HA . . 4.230 3.236 3.174 3.287 . 0 0 "[ . 1 . 2]" 1
286 1 15 VAL MG1 1 17 ARG H . . 5.160 4.801 4.756 4.820 . 0 0 "[ . 1 . 2]" 1
287 1 15 VAL MG1 1 18 LEU MD2 . . 4.080 3.986 3.794 4.085 0.005 9 0 "[ . 1 . 2]" 1
288 1 15 VAL MG1 1 19 LEU H . . 5.200 3.991 3.937 4.049 . 0 0 "[ . 1 . 2]" 1
289 1 15 VAL MG1 1 19 LEU MD2 . . 4.430 3.404 3.269 3.655 . 0 0 "[ . 1 . 2]" 1
290 1 15 VAL MG1 1 36 PHE QE . . 4.510 3.892 3.672 4.062 . 0 0 "[ . 1 . 2]" 1
291 1 15 VAL MG1 1 49 PHE QD . . 4.400 4.417 4.408 4.427 0.027 4 0 "[ . 1 . 2]" 1
292 1 15 VAL MG1 1 49 PHE QE . . 3.460 2.505 2.429 2.565 . 0 0 "[ . 1 . 2]" 1
293 1 15 VAL MG1 1 49 PHE HZ . . 3.200 2.072 2.021 2.102 . 0 0 "[ . 1 . 2]" 1
294 1 15 VAL MG1 1 53 VAL MG2 . . 3.840 3.704 3.531 3.835 . 0 0 "[ . 1 . 2]" 1
295 1 15 VAL MG1 1 57 TYR QE . . 5.780 5.558 5.227 5.763 . 0 0 "[ . 1 . 2]" 1
296 1 15 VAL MG1 1 66 LEU MD1 . . 5.780 5.246 5.020 5.643 . 0 0 "[ . 1 . 2]" 1
297 1 15 VAL MG1 1 72 PRO HA . . 4.440 3.034 2.940 3.160 . 0 0 "[ . 1 . 2]" 1
298 1 15 VAL MG1 1 72 PRO QB . . 4.050 2.171 2.121 2.274 . 0 0 "[ . 1 . 2]" 1
299 1 15 VAL MG1 1 75 PHE HB2 . . 5.440 4.987 4.872 5.135 . 0 0 "[ . 1 . 2]" 1
300 1 15 VAL MG1 1 75 PHE HB3 . . 5.200 3.542 3.424 3.670 . 0 0 "[ . 1 . 2]" 1
301 1 15 VAL MG1 1 75 PHE QD . . 3.310 2.436 2.241 2.648 . 0 0 "[ . 1 . 2]" 1
302 1 15 VAL MG1 1 75 PHE QE . . 4.070 3.585 3.315 3.823 . 0 0 "[ . 1 . 2]" 1
303 1 15 VAL MG1 1 76 ALA H . . 4.180 3.557 3.426 3.646 . 0 0 "[ . 1 . 2]" 1
304 1 15 VAL MG1 1 76 ALA HA . . 4.080 3.962 3.750 4.100 0.020 8 0 "[ . 1 . 2]" 1
305 1 15 VAL MG1 1 79 ILE MD . . 4.630 3.826 3.539 3.989 . 0 0 "[ . 1 . 2]" 1
306 1 15 VAL MG2 1 16 ALA H . . 4.090 4.067 4.038 4.086 . 0 0 "[ . 1 . 2]" 1
307 1 15 VAL MG2 1 49 PHE QD . . 5.780 5.174 5.080 5.311 . 0 0 "[ . 1 . 2]" 1
308 1 15 VAL MG2 1 49 PHE QE . . 4.220 3.314 3.208 3.489 . 0 0 "[ . 1 . 2]" 1
309 1 15 VAL MG2 1 49 PHE HZ . . 4.300 2.825 2.651 3.169 . 0 0 "[ . 1 . 2]" 1
310 1 15 VAL MG2 1 53 VAL MG2 . . 3.840 2.758 2.701 2.837 . 0 0 "[ . 1 . 2]" 1
311 1 15 VAL MG2 1 57 TYR QD . . 4.200 3.913 3.644 4.181 . 0 0 "[ . 1 . 2]" 1
312 1 15 VAL MG2 1 57 TYR QE . . 3.780 3.062 2.677 3.378 . 0 0 "[ . 1 . 2]" 1
313 1 15 VAL MG2 1 75 PHE QD . . 3.770 3.053 2.703 3.535 . 0 0 "[ . 1 . 2]" 1
314 1 15 VAL MG2 1 75 PHE QE . . 4.180 3.023 2.712 3.542 . 0 0 "[ . 1 . 2]" 1
315 1 15 VAL MG2 1 76 ALA H . . 4.370 3.970 3.843 4.126 . 0 0 "[ . 1 . 2]" 1
316 1 15 VAL MG2 1 76 ALA HA . . 3.610 2.751 2.606 2.845 . 0 0 "[ . 1 . 2]" 1
317 1 15 VAL MG2 1 76 ALA MB . . 3.310 2.377 2.287 2.488 . 0 0 "[ . 1 . 2]" 1
318 1 15 VAL MG2 1 79 ILE MD . . 3.820 2.333 2.207 2.524 . 0 0 "[ . 1 . 2]" 1
319 1 15 VAL MG2 1 79 ILE MG . . 4.420 3.793 3.552 3.983 . 0 0 "[ . 1 . 2]" 1
320 1 15 VAL MG2 1 80 ALA H . . 5.780 5.750 5.567 5.805 0.025 3 0 "[ . 1 . 2]" 1
321 1 16 ALA H 1 16 ALA MB . . 2.770 2.175 2.151 2.192 . 0 0 "[ . 1 . 2]" 1
322 1 16 ALA H 1 17 ARG H . . 3.200 2.769 2.746 2.804 . 0 0 "[ . 1 . 2]" 1
323 1 16 ALA H 1 18 LEU H . . 4.800 4.452 4.400 4.489 . 0 0 "[ . 1 . 2]" 1
324 1 16 ALA H 1 18 LEU MD2 . . 5.780 5.238 5.182 5.278 . 0 0 "[ . 1 . 2]" 1
325 1 16 ALA H 1 30 LEU MD1 . . 5.520 5.379 5.130 5.535 0.015 5 0 "[ . 1 . 2]" 1
326 1 16 ALA HA 1 18 LEU H . . 5.060 4.765 4.689 4.864 . 0 0 "[ . 1 . 2]" 1
327 1 16 ALA HA 1 19 LEU H . . 4.570 3.872 3.818 3.989 . 0 0 "[ . 1 . 2]" 1
328 1 16 ALA HA 1 19 LEU HB3 . . 4.270 3.040 2.903 3.155 . 0 0 "[ . 1 . 2]" 1
329 1 16 ALA HA 1 19 LEU MD2 . . 3.960 3.583 3.382 3.717 . 0 0 "[ . 1 . 2]" 1
330 1 16 ALA HA 1 30 LEU MD1 . . 3.660 3.000 2.752 3.167 . 0 0 "[ . 1 . 2]" 1
331 1 16 ALA HA 1 30 LEU HG . . 5.720 5.171 4.964 5.304 . 0 0 "[ . 1 . 2]" 1
332 1 16 ALA MB 1 17 ARG H . . 3.300 2.735 2.604 2.803 . 0 0 "[ . 1 . 2]" 1
333 1 16 ALA MB 1 17 ARG QB . . 4.630 4.361 4.221 4.424 . 0 0 "[ . 1 . 2]" 1
334 1 16 ALA MB 1 18 LEU H . . 5.600 4.814 4.759 4.855 . 0 0 "[ . 1 . 2]" 1
335 1 16 ALA MB 1 19 LEU H . . 4.960 4.984 4.968 5.000 0.040 10 0 "[ . 1 . 2]" 1
336 1 16 ALA MB 1 19 LEU MD2 . . 4.650 4.544 4.370 4.655 0.005 10 0 "[ . 1 . 2]" 1
337 1 16 ALA MB 1 20 ALA H . . 5.590 5.000 4.892 5.142 . 0 0 "[ . 1 . 2]" 1
338 1 16 ALA MB 1 30 LEU MD1 . . 3.510 3.422 3.200 3.520 0.010 9 0 "[ . 1 . 2]" 1
339 1 16 ALA MB 1 30 LEU MD2 . . 3.500 2.082 2.019 2.133 . 0 0 "[ . 1 . 2]" 1
340 1 17 ARG H 1 17 ARG QB . . 2.860 2.336 2.213 2.401 . 0 0 "[ . 1 . 2]" 1
341 1 17 ARG H 1 17 ARG QG . . 3.660 2.741 2.656 2.827 . 0 0 "[ . 1 . 2]" 1
342 1 17 ARG H 1 18 LEU H . . 3.210 2.657 2.499 2.714 . 0 0 "[ . 1 . 2]" 1
343 1 17 ARG H 1 18 LEU HB3 . . 5.150 4.773 4.570 4.867 . 0 0 "[ . 1 . 2]" 1
344 1 17 ARG H 1 18 LEU MD2 . . 5.410 4.966 4.864 5.017 . 0 0 "[ . 1 . 2]" 1
345 1 17 ARG H 1 18 LEU HG . . 4.970 4.986 4.937 4.997 0.027 16 0 "[ . 1 . 2]" 1
346 1 17 ARG H 1 19 LEU H . . 4.500 4.141 4.009 4.182 . 0 0 "[ . 1 . 2]" 1
347 1 17 ARG H 1 19 LEU HB3 . . 5.680 5.250 5.100 5.355 . 0 0 "[ . 1 . 2]" 1
348 1 17 ARG H 1 20 ALA MB . . 5.530 5.115 4.916 5.297 . 0 0 "[ . 1 . 2]" 1
349 1 17 ARG H 1 27 PRO HB3 . . 5.340 4.739 4.443 5.089 . 0 0 "[ . 1 . 2]" 1
350 1 17 ARG H 1 30 LEU MD2 . . 4.920 4.903 4.810 4.945 0.025 15 0 "[ . 1 . 2]" 1
351 1 17 ARG HA 1 17 ARG HG2 . . 4.230 2.403 2.365 2.680 . 0 0 "[ . 1 . 2]" 1
352 1 17 ARG HA 1 17 ARG HG3 . . 4.230 2.937 2.611 3.047 . 0 0 "[ . 1 . 2]" 1
353 1 17 ARG HA 1 18 LEU HA . . 5.380 4.650 4.625 4.678 . 0 0 "[ . 1 . 2]" 1
354 1 17 ARG HA 1 19 LEU H . . 4.780 4.650 4.557 4.718 . 0 0 "[ . 1 . 2]" 1
355 1 17 ARG HA 1 20 ALA H . . 4.150 3.919 3.643 4.096 . 0 0 "[ . 1 . 2]" 1
356 1 17 ARG HA 1 20 ALA MB . . 3.700 3.242 2.900 3.507 . 0 0 "[ . 1 . 2]" 1
357 1 17 ARG HA 1 27 PRO HB3 . . 3.790 2.258 2.179 2.349 . 0 0 "[ . 1 . 2]" 1
358 1 17 ARG HA 1 27 PRO HG3 . . 4.610 3.442 3.039 3.750 . 0 0 "[ . 1 . 2]" 1
359 1 17 ARG HA 1 30 LEU MD2 . . 5.540 4.822 4.576 5.036 . 0 0 "[ . 1 . 2]" 1
360 1 17 ARG QB 1 17 ARG HE . . 3.830 2.445 2.146 2.512 . 0 0 "[ . 1 . 2]" 1
361 1 17 ARG QB 1 18 LEU H . . 3.390 2.603 2.521 2.685 . 0 0 "[ . 1 . 2]" 1
362 1 17 ARG QB 1 18 LEU HA . . 4.860 3.857 3.797 3.970 . 0 0 "[ . 1 . 2]" 1
363 1 17 ARG QB 1 19 LEU H . . 5.320 4.781 4.695 4.842 . 0 0 "[ . 1 . 2]" 1
364 1 17 ARG QB 1 20 ALA H . . 5.550 5.231 5.087 5.342 . 0 0 "[ . 1 . 2]" 1
365 1 17 ARG HE 1 17 ARG QG . . 3.720 3.075 2.358 3.350 . 0 0 "[ . 1 . 2]" 1
366 1 17 ARG QG 1 18 LEU H . . 4.980 4.319 4.271 4.375 . 0 0 "[ . 1 . 2]" 1
367 1 17 ARG QG 1 27 PRO HB3 . . 4.970 3.073 2.656 3.338 . 0 0 "[ . 1 . 2]" 1
368 1 17 ARG QG 1 27 PRO HG2 . . 4.980 3.951 3.628 4.188 . 0 0 "[ . 1 . 2]" 1
369 1 17 ARG QG 1 27 PRO HG3 . . 5.160 2.950 2.471 3.418 . 0 0 "[ . 1 . 2]" 1
370 1 17 ARG HG2 1 18 LEU H . . 5.780 5.067 5.006 5.144 . 0 0 "[ . 1 . 2]" 1
371 1 17 ARG HG3 1 18 LEU H . . 5.780 4.683 4.597 4.746 . 0 0 "[ . 1 . 2]" 1
372 1 18 LEU H 1 18 LEU HB2 . . 3.940 3.563 3.547 3.586 . 0 0 "[ . 1 . 2]" 1
373 1 18 LEU H 1 18 LEU HB3 . . 3.430 2.298 2.269 2.330 . 0 0 "[ . 1 . 2]" 1
374 1 18 LEU H 1 18 LEU MD1 . . 4.260 4.153 4.128 4.198 . 0 0 "[ . 1 . 2]" 1
375 1 18 LEU H 1 18 LEU MD2 . . 3.730 3.332 3.290 3.367 . 0 0 "[ . 1 . 2]" 1
376 1 18 LEU H 1 18 LEU HG . . 3.540 2.904 2.846 3.002 . 0 0 "[ . 1 . 2]" 1
377 1 18 LEU H 1 19 LEU H . . 3.360 2.704 2.653 2.749 . 0 0 "[ . 1 . 2]" 1
378 1 18 LEU H 1 49 PHE QD . . 5.780 5.779 5.679 5.805 0.025 20 0 "[ . 1 . 2]" 1
379 1 18 LEU H 1 49 PHE QE . . 4.990 4.811 4.752 4.846 . 0 0 "[ . 1 . 2]" 1
380 1 18 LEU HA 1 18 LEU MD1 . . 3.730 3.441 3.411 3.471 . 0 0 "[ . 1 . 2]" 1
381 1 18 LEU HA 1 18 LEU MD2 . . 4.660 4.145 4.132 4.158 . 0 0 "[ . 1 . 2]" 1
382 1 18 LEU HA 1 18 LEU HG . . 4.370 3.747 3.730 3.757 . 0 0 "[ . 1 . 2]" 1
383 1 18 LEU HA 1 20 ALA H . . 5.010 4.446 4.411 4.480 . 0 0 "[ . 1 . 2]" 1
384 1 18 LEU HA 1 21 GLY H . . 4.270 3.610 3.494 3.817 . 0 0 "[ . 1 . 2]" 1
385 1 18 LEU HA 1 21 GLY QA . . 5.710 4.148 3.971 4.443 . 0 0 "[ . 1 . 2]" 1
386 1 18 LEU HA 1 22 VAL MG2 . . 5.780 4.706 4.588 4.833 . 0 0 "[ . 1 . 2]" 1
387 1 18 LEU HB2 1 18 LEU MD1 . . 3.430 2.233 2.215 2.252 . 0 0 "[ . 1 . 2]" 1
388 1 18 LEU HB2 1 19 LEU H . . 4.600 4.294 4.260 4.332 . 0 0 "[ . 1 . 2]" 1
389 1 18 LEU HB2 1 49 PHE QD . . 5.050 4.981 4.931 5.004 . 0 0 "[ . 1 . 2]" 1
390 1 18 LEU HB2 1 52 ALA MB . . 4.150 3.903 3.775 4.107 . 0 0 "[ . 1 . 2]" 1
391 1 18 LEU HB3 1 19 LEU H . . 4.080 3.955 3.918 4.004 . 0 0 "[ . 1 . 2]" 1
392 1 18 LEU HB3 1 49 PHE QE . . 5.150 4.994 4.885 5.056 . 0 0 "[ . 1 . 2]" 1
393 1 18 LEU HB3 1 52 ALA MB . . 5.530 5.162 5.059 5.324 . 0 0 "[ . 1 . 2]" 1
394 1 18 LEU HB3 1 53 VAL MG2 . . 5.100 5.141 5.130 5.152 0.052 2 0 "[ . 1 . 2]" 1
395 1 18 LEU MD1 1 19 LEU H . . 3.650 3.400 3.351 3.475 . 0 0 "[ . 1 . 2]" 1
396 1 18 LEU MD1 1 19 LEU MD1 . . 4.160 4.141 4.084 4.166 0.006 14 0 "[ . 1 . 2]" 1
397 1 18 LEU MD1 1 20 ALA H . . 5.210 5.221 5.200 5.232 0.022 6 0 "[ . 1 . 2]" 1
398 1 18 LEU MD1 1 21 GLY H . . 5.210 5.029 4.983 5.108 . 0 0 "[ . 1 . 2]" 1
399 1 18 LEU MD1 1 22 VAL H . . 5.110 4.695 4.599 4.826 . 0 0 "[ . 1 . 2]" 1
400 1 18 LEU MD1 1 22 VAL MG2 . . 4.110 2.960 2.865 3.046 . 0 0 "[ . 1 . 2]" 1
401 1 18 LEU MD1 1 49 PHE QD . . 3.800 2.144 2.111 2.183 . 0 0 "[ . 1 . 2]" 1
402 1 18 LEU MD1 1 49 PHE QE . . 4.630 2.614 2.559 2.728 . 0 0 "[ . 1 . 2]" 1
403 1 18 LEU MD1 1 52 ALA H . . 4.600 4.269 4.208 4.363 . 0 0 "[ . 1 . 2]" 1
404 1 18 LEU MD1 1 52 ALA MB . . 3.230 2.183 2.130 2.271 . 0 0 "[ . 1 . 2]" 1
405 1 18 LEU MD1 1 53 VAL H . . 4.700 3.258 3.171 3.346 . 0 0 "[ . 1 . 2]" 1
406 1 18 LEU MD1 1 53 VAL HA . . 4.800 3.421 3.285 3.556 . 0 0 "[ . 1 . 2]" 1
407 1 18 LEU MD2 1 19 LEU H . . 4.910 4.080 4.040 4.135 . 0 0 "[ . 1 . 2]" 1
408 1 18 LEU MD2 1 49 PHE QD . . 4.180 4.144 4.059 4.187 0.007 8 0 "[ . 1 . 2]" 1
409 1 18 LEU MD2 1 49 PHE QE . . 4.220 3.134 3.025 3.182 . 0 0 "[ . 1 . 2]" 1
410 1 18 LEU MD2 1 53 VAL H . . 4.480 4.181 4.037 4.293 . 0 0 "[ . 1 . 2]" 1
411 1 18 LEU MD2 1 53 VAL HA . . 3.700 2.808 2.683 2.943 . 0 0 "[ . 1 . 2]" 1
412 1 18 LEU MD2 1 53 VAL MG2 . . 3.270 2.170 2.141 2.197 . 0 0 "[ . 1 . 2]" 1
413 1 18 LEU MD2 1 56 ALA H . . 5.010 4.737 4.435 4.963 . 0 0 "[ . 1 . 2]" 1
414 1 18 LEU MD2 1 56 ALA MB . . 3.990 2.871 2.582 3.103 . 0 0 "[ . 1 . 2]" 1
415 1 18 LEU MD2 1 57 TYR H . . 5.780 5.498 5.210 5.669 . 0 0 "[ . 1 . 2]" 1
416 1 18 LEU MD2 1 57 TYR QE . . 4.640 3.168 2.842 3.523 . 0 0 "[ . 1 . 2]" 1
417 1 18 LEU MD2 1 75 PHE QE . . 4.960 4.769 4.581 4.965 0.005 18 0 "[ . 1 . 2]" 1
418 1 18 LEU HG 1 19 LEU H . . 3.850 2.465 2.402 2.527 . 0 0 "[ . 1 . 2]" 1
419 1 18 LEU HG 1 49 PHE QE . . 3.940 2.351 2.258 2.397 . 0 0 "[ . 1 . 2]" 1
420 1 19 LEU H 1 19 LEU HB3 . . 3.170 2.460 2.417 2.498 . 0 0 "[ . 1 . 2]" 1
421 1 19 LEU H 1 19 LEU MD2 . . 5.780 4.237 4.189 4.264 . 0 0 "[ . 1 . 2]" 1
422 1 19 LEU H 1 20 ALA MB . . 4.910 4.421 4.396 4.471 . 0 0 "[ . 1 . 2]" 1
423 1 19 LEU H 1 21 GLY H . . 5.160 4.285 4.198 4.402 . 0 0 "[ . 1 . 2]" 1
424 1 19 LEU H 1 30 LEU MD1 . . 5.050 4.634 4.447 4.892 . 0 0 "[ . 1 . 2]" 1
425 1 19 LEU H 1 49 PHE QD . . 4.230 3.761 3.595 3.851 . 0 0 "[ . 1 . 2]" 1
426 1 19 LEU H 1 49 PHE QE . . 3.920 3.201 3.098 3.285 . 0 0 "[ . 1 . 2]" 1
427 1 19 LEU H 1 49 PHE HZ . . 5.780 5.403 5.352 5.455 . 0 0 "[ . 1 . 2]" 1
428 1 19 LEU HA 1 19 LEU MD1 . . 3.300 2.235 2.196 2.253 . 0 0 "[ . 1 . 2]" 1
429 1 19 LEU HA 1 19 LEU HG . . 4.350 3.116 3.045 3.181 . 0 0 "[ . 1 . 2]" 1
430 1 19 LEU HA 1 21 GLY H . . 4.090 4.134 4.119 4.151 0.061 11 0 "[ . 1 . 2]" 1
431 1 19 LEU HA 1 22 VAL H . . 3.610 3.291 3.183 3.384 . 0 0 "[ . 1 . 2]" 1
432 1 19 LEU HA 1 22 VAL MG2 . . 5.600 3.063 2.988 3.138 . 0 0 "[ . 1 . 2]" 1
433 1 19 LEU HA 1 49 PHE QD . . 5.020 2.274 2.214 2.341 . 0 0 "[ . 1 . 2]" 1
434 1 19 LEU HA 1 49 PHE QE . . 4.590 3.633 3.570 3.710 . 0 0 "[ . 1 . 2]" 1
435 1 19 LEU HB2 1 19 LEU MD1 . . 3.400 2.414 2.375 2.454 . 0 0 "[ . 1 . 2]" 1
436 1 19 LEU HB2 1 19 LEU MD2 . . 3.310 2.429 2.354 2.462 . 0 0 "[ . 1 . 2]" 1
437 1 19 LEU HB2 1 20 ALA H . . 4.920 3.952 3.926 3.985 . 0 0 "[ . 1 . 2]" 1
438 1 19 LEU HB2 1 22 VAL H . . 5.780 5.613 5.541 5.674 . 0 0 "[ . 1 . 2]" 1
439 1 19 LEU HB2 1 36 PHE QE . . 4.890 4.417 4.247 4.544 . 0 0 "[ . 1 . 2]" 1
440 1 19 LEU HB2 1 49 PHE QD . . 4.670 3.044 2.856 3.133 . 0 0 "[ . 1 . 2]" 1
441 1 19 LEU HB2 1 49 PHE QE . . 4.450 2.533 2.454 2.602 . 0 0 "[ . 1 . 2]" 1
442 1 19 LEU HB3 1 19 LEU MD2 . . 3.620 2.271 2.258 2.289 . 0 0 "[ . 1 . 2]" 1
443 1 19 LEU HB3 1 20 ALA H . . 3.710 2.603 2.545 2.652 . 0 0 "[ . 1 . 2]" 1
444 1 19 LEU HB3 1 21 GLY H . . 5.500 5.011 4.967 5.071 . 0 0 "[ . 1 . 2]" 1
445 1 19 LEU HB3 1 22 VAL H . . 5.780 5.404 5.352 5.468 . 0 0 "[ . 1 . 2]" 1
446 1 19 LEU HB3 1 30 LEU MD1 . . 3.970 2.950 2.793 3.154 . 0 0 "[ . 1 . 2]" 1
447 1 19 LEU HB3 1 36 PHE QE . . 5.780 5.097 4.996 5.200 . 0 0 "[ . 1 . 2]" 1
448 1 19 LEU HB3 1 49 PHE QD . . 5.060 4.434 4.276 4.532 . 0 0 "[ . 1 . 2]" 1
449 1 19 LEU HB3 1 49 PHE QE . . 4.890 4.018 3.921 4.107 . 0 0 "[ . 1 . 2]" 1
450 1 19 LEU MD1 1 20 ALA HA . . 5.780 4.739 4.622 4.895 . 0 0 "[ . 1 . 2]" 1
451 1 19 LEU MD1 1 20 ALA MB . . 5.780 5.283 5.220 5.368 . 0 0 "[ . 1 . 2]" 1
452 1 19 LEU MD1 1 22 VAL H . . 4.600 4.138 4.035 4.263 . 0 0 "[ . 1 . 2]" 1
453 1 19 LEU MD1 1 36 PHE QD . . 3.890 3.608 3.390 3.767 . 0 0 "[ . 1 . 2]" 1
454 1 19 LEU MD1 1 36 PHE QE . . 3.690 3.366 3.115 3.535 . 0 0 "[ . 1 . 2]" 1
455 1 19 LEU MD1 1 41 VAL HB . . 5.780 5.092 5.015 5.228 . 0 0 "[ . 1 . 2]" 1
456 1 19 LEU MD1 1 41 VAL MG1 . . 3.720 3.571 3.466 3.639 . 0 0 "[ . 1 . 2]" 1
457 1 19 LEU MD1 1 41 VAL MG2 . . 4.460 2.439 2.337 2.639 . 0 0 "[ . 1 . 2]" 1
458 1 19 LEU MD1 1 45 LEU HB2 . . 5.330 5.005 4.933 5.139 . 0 0 "[ . 1 . 2]" 1
459 1 19 LEU MD1 1 46 GLY HA2 . . 4.990 4.201 4.123 4.329 . 0 0 "[ . 1 . 2]" 1
460 1 19 LEU MD1 1 46 GLY HA3 . . 5.780 5.596 5.508 5.734 . 0 0 "[ . 1 . 2]" 1
461 1 19 LEU MD1 1 49 PHE HB3 . . 4.940 3.118 3.076 3.174 . 0 0 "[ . 1 . 2]" 1
462 1 19 LEU MD1 1 49 PHE QD . . 3.240 2.721 2.669 2.754 . 0 0 "[ . 1 . 2]" 1
463 1 19 LEU MD1 1 49 PHE QE . . 3.520 3.406 3.328 3.493 . 0 0 "[ . 1 . 2]" 1
464 1 19 LEU MD1 1 49 PHE HZ . . 4.670 4.150 4.019 4.336 . 0 0 "[ . 1 . 2]" 1
465 1 19 LEU MD1 1 50 VAL H . . 5.620 5.306 5.256 5.374 . 0 0 "[ . 1 . 2]" 1
466 1 19 LEU MD1 1 66 LEU MD1 . . 5.100 3.304 3.174 3.388 . 0 0 "[ . 1 . 2]" 1
467 1 19 LEU MD1 1 72 PRO QB . . 5.780 4.344 4.213 4.486 . 0 0 "[ . 1 . 2]" 1
468 1 19 LEU MD2 1 20 ALA H . . 4.490 4.126 4.067 4.193 . 0 0 "[ . 1 . 2]" 1
469 1 19 LEU MD2 1 20 ALA HA . . 4.390 4.440 4.431 4.454 0.064 20 0 "[ . 1 . 2]" 1
470 1 19 LEU MD2 1 36 PHE HB3 . . 5.000 4.789 4.645 4.921 . 0 0 "[ . 1 . 2]" 1
471 1 19 LEU MD2 1 36 PHE QD . . 3.910 2.518 2.399 2.584 . 0 0 "[ . 1 . 2]" 1
472 1 19 LEU MD2 1 36 PHE QE . . 4.280 2.208 2.168 2.265 . 0 0 "[ . 1 . 2]" 1
473 1 19 LEU MD2 1 36 PHE HZ . . 4.300 4.286 4.150 4.323 0.023 18 0 "[ . 1 . 2]" 1
474 1 19 LEU MD2 1 41 VAL HB . . 5.740 5.331 5.170 5.532 . 0 0 "[ . 1 . 2]" 1
475 1 19 LEU MD2 1 49 PHE QD . . 4.870 4.310 4.225 4.368 . 0 0 "[ . 1 . 2]" 1
476 1 19 LEU MD2 1 49 PHE QE . . 5.390 3.979 3.826 4.054 . 0 0 "[ . 1 . 2]" 1
477 1 19 LEU HG 1 20 ALA H . . 4.450 3.675 3.603 3.747 . 0 0 "[ . 1 . 2]" 1
478 1 19 LEU HG 1 22 VAL H . . 4.620 4.654 4.639 4.667 0.047 16 0 "[ . 1 . 2]" 1
479 1 19 LEU HG 1 23 LEU H . . 4.400 4.032 3.912 4.133 . 0 0 "[ . 1 . 2]" 1
480 1 19 LEU HG 1 41 VAL MG1 . . 5.780 5.747 5.625 5.791 0.011 17 0 "[ . 1 . 2]" 1
481 1 20 ALA H 1 20 ALA MB . . 2.880 2.214 2.196 2.230 . 0 0 "[ . 1 . 2]" 1
482 1 20 ALA H 1 21 GLY H . . 3.400 2.812 2.770 2.843 . 0 0 "[ . 1 . 2]" 1
483 1 20 ALA H 1 22 VAL H . . 4.800 4.252 4.213 4.284 . 0 0 "[ . 1 . 2]" 1
484 1 20 ALA H 1 23 LEU HG . . 5.780 5.011 4.788 5.102 . 0 0 "[ . 1 . 2]" 1
485 1 20 ALA H 1 30 LEU MD1 . . 3.950 3.190 3.088 3.375 . 0 0 "[ . 1 . 2]" 1
486 1 20 ALA H 1 30 LEU MD2 . . 5.020 4.597 4.392 4.834 . 0 0 "[ . 1 . 2]" 1
487 1 20 ALA HA 1 22 VAL H . . 4.890 4.082 4.022 4.141 . 0 0 "[ . 1 . 2]" 1
488 1 20 ALA HA 1 23 LEU H . . 4.390 3.416 3.325 3.469 . 0 0 "[ . 1 . 2]" 1
489 1 20 ALA HA 1 23 LEU QB . . 5.130 2.827 2.744 2.912 . 0 0 "[ . 1 . 2]" 1
490 1 20 ALA HA 1 23 LEU MD1 . . 4.740 3.305 3.114 3.538 . 0 0 "[ . 1 . 2]" 1
491 1 20 ALA HA 1 24 TYR H . . 5.330 4.839 4.621 5.017 . 0 0 "[ . 1 . 2]" 1
492 1 20 ALA HA 1 25 LEU H . . 4.170 3.692 3.459 3.829 . 0 0 "[ . 1 . 2]" 1
493 1 20 ALA HA 1 25 LEU HB2 . . 4.910 4.061 2.726 4.452 . 0 0 "[ . 1 . 2]" 1
494 1 20 ALA HA 1 25 LEU HB3 . . 4.370 2.960 2.742 3.590 . 0 0 "[ . 1 . 2]" 1
495 1 20 ALA HA 1 25 LEU MD2 . . 4.840 3.871 3.514 4.146 . 0 0 "[ . 1 . 2]" 1
496 1 20 ALA HA 1 30 LEU HB3 . . 5.780 4.955 4.587 5.244 . 0 0 "[ . 1 . 2]" 1
497 1 20 ALA HA 1 30 LEU MD1 . . 4.020 3.190 2.907 3.397 . 0 0 "[ . 1 . 2]" 1
498 1 20 ALA MB 1 21 GLY H . . 3.360 2.789 2.754 2.827 . 0 0 "[ . 1 . 2]" 1
499 1 20 ALA MB 1 21 GLY QA . . 4.800 3.761 3.731 3.797 . 0 0 "[ . 1 . 2]" 1
500 1 20 ALA MB 1 22 VAL H . . 4.780 4.556 4.524 4.583 . 0 0 "[ . 1 . 2]" 1
501 1 20 ALA MB 1 23 LEU H . . 5.050 4.681 4.606 4.755 . 0 0 "[ . 1 . 2]" 1
502 1 20 ALA MB 1 25 LEU H . . 4.240 3.690 3.562 3.771 . 0 0 "[ . 1 . 2]" 1
503 1 20 ALA MB 1 26 GLU H . . 4.230 3.876 3.358 4.168 . 0 0 "[ . 1 . 2]" 1
504 1 20 ALA MB 1 26 GLU HA . . 4.780 3.269 2.796 3.594 . 0 0 "[ . 1 . 2]" 1
505 1 20 ALA MB 1 26 GLU QG . . 5.060 4.857 4.449 5.068 0.008 5 0 "[ . 1 . 2]" 1
506 1 20 ALA MB 1 27 PRO HA . . 3.170 2.485 2.233 2.735 . 0 0 "[ . 1 . 2]" 1
507 1 20 ALA MB 1 27 PRO HB2 . . 4.570 4.044 3.795 4.351 . 0 0 "[ . 1 . 2]" 1
508 1 20 ALA MB 1 27 PRO HB3 . . 3.860 2.708 2.449 3.038 . 0 0 "[ . 1 . 2]" 1
509 1 20 ALA MB 1 27 PRO QD . . 3.540 2.656 2.465 2.984 . 0 0 "[ . 1 . 2]" 1
510 1 20 ALA MB 1 27 PRO HG2 . . 4.690 4.603 4.469 4.706 0.016 19 0 "[ . 1 . 2]" 1
511 1 20 ALA MB 1 27 PRO HG3 . . 4.980 3.960 3.772 4.136 . 0 0 "[ . 1 . 2]" 1
512 1 20 ALA MB 1 28 ASP H . . 4.800 4.747 4.656 4.812 0.012 13 0 "[ . 1 . 2]" 1
513 1 20 ALA MB 1 30 LEU H . . 5.280 4.203 4.007 4.747 . 0 0 "[ . 1 . 2]" 1
514 1 20 ALA MB 1 30 LEU MD1 . . 3.900 2.449 2.302 2.633 . 0 0 "[ . 1 . 2]" 1
515 1 20 ALA MB 1 30 LEU MD2 . . 4.330 3.520 3.247 3.725 . 0 0 "[ . 1 . 2]" 1
516 1 21 GLY H 1 22 VAL H . . 3.440 2.648 2.614 2.671 . 0 0 "[ . 1 . 2]" 1
517 1 21 GLY H 1 22 VAL HB . . 5.160 4.868 4.791 4.916 . 0 0 "[ . 1 . 2]" 1
518 1 21 GLY H 1 22 VAL MG2 . . 4.670 4.190 4.090 4.269 . 0 0 "[ . 1 . 2]" 1
519 1 21 GLY H 1 25 LEU H . . 5.600 4.964 4.904 5.047 . 0 0 "[ . 1 . 2]" 1
520 1 21 GLY QA 1 22 VAL H . . 3.320 2.898 2.875 2.913 . 0 0 "[ . 1 . 2]" 1
521 1 21 GLY QA 1 23 LEU H . . 4.550 4.140 4.045 4.266 . 0 0 "[ . 1 . 2]" 1
522 1 21 GLY QA 1 24 TYR H . . 4.430 3.547 3.438 3.651 . 0 0 "[ . 1 . 2]" 1
523 1 21 GLY QA 1 24 TYR QD . . 5.440 4.545 3.934 5.230 . 0 0 "[ . 1 . 2]" 1
524 1 21 GLY QA 1 25 LEU H . . 4.860 3.750 3.595 4.000 . 0 0 "[ . 1 . 2]" 1
525 1 22 VAL H 1 22 VAL HB . . 3.160 2.441 2.382 2.473 . 0 0 "[ . 1 . 2]" 1
526 1 22 VAL H 1 22 VAL MG1 . . 4.020 3.807 3.783 3.818 . 0 0 "[ . 1 . 2]" 1
527 1 22 VAL H 1 22 VAL MG2 . . 3.140 2.474 2.401 2.562 . 0 0 "[ . 1 . 2]" 1
528 1 22 VAL H 1 23 LEU H . . 3.270 2.331 2.294 2.402 . 0 0 "[ . 1 . 2]" 1
529 1 22 VAL H 1 23 LEU HA . . 5.410 5.085 5.061 5.139 . 0 0 "[ . 1 . 2]" 1
530 1 22 VAL H 1 23 LEU QB . . 5.740 4.510 4.463 4.579 . 0 0 "[ . 1 . 2]" 1
531 1 22 VAL H 1 23 LEU MD2 . . 5.010 4.649 4.526 4.733 . 0 0 "[ . 1 . 2]" 1
532 1 22 VAL H 1 23 LEU HG . . 4.410 3.939 3.856 4.020 . 0 0 "[ . 1 . 2]" 1
533 1 22 VAL H 1 24 TYR H . . 4.910 3.780 3.696 3.859 . 0 0 "[ . 1 . 2]" 1
534 1 22 VAL H 1 49 PHE QD . . 5.440 4.993 4.920 5.084 . 0 0 "[ . 1 . 2]" 1
535 1 22 VAL HA 1 22 VAL MG1 . . 3.490 2.470 2.437 2.525 . 0 0 "[ . 1 . 2]" 1
536 1 22 VAL HA 1 22 VAL MG2 . . 3.200 2.342 2.311 2.375 . 0 0 "[ . 1 . 2]" 1
537 1 22 VAL HA 1 23 LEU HA . . 5.470 4.742 4.728 4.762 . 0 0 "[ . 1 . 2]" 1
538 1 22 VAL HA 1 23 LEU MD2 . . 4.940 4.690 4.599 4.782 . 0 0 "[ . 1 . 2]" 1
539 1 22 VAL HA 1 24 TYR H . . 4.840 3.705 3.597 3.796 . 0 0 "[ . 1 . 2]" 1
540 1 22 VAL HA 1 24 TYR QD . . 5.620 4.361 4.274 4.446 . 0 0 "[ . 1 . 2]" 1
541 1 22 VAL HA 1 24 TYR QE . . 4.880 3.898 3.765 4.061 . 0 0 "[ . 1 . 2]" 1
542 1 22 VAL HB 1 23 LEU H . . 3.830 2.773 2.686 2.832 . 0 0 "[ . 1 . 2]" 1
543 1 22 VAL HB 1 23 LEU MD2 . . 4.900 3.381 3.215 3.507 . 0 0 "[ . 1 . 2]" 1
544 1 22 VAL HB 1 49 PHE H . . 5.310 4.759 4.685 4.864 . 0 0 "[ . 1 . 2]" 1
545 1 22 VAL HB 1 49 PHE QD . . 4.240 3.954 3.832 4.085 . 0 0 "[ . 1 . 2]" 1
546 1 22 VAL MG1 1 23 LEU H . . 4.360 3.531 3.406 3.616 . 0 0 "[ . 1 . 2]" 1
547 1 22 VAL MG1 1 23 LEU HA . . 4.500 3.721 3.614 3.804 . 0 0 "[ . 1 . 2]" 1
548 1 22 VAL MG1 1 23 LEU HG . . 4.330 3.802 3.544 4.023 . 0 0 "[ . 1 . 2]" 1
549 1 22 VAL MG1 1 45 LEU HA . . 4.020 2.763 2.682 2.912 . 0 0 "[ . 1 . 2]" 1
550 1 22 VAL MG1 1 45 LEU HB3 . . 4.190 2.386 2.279 2.436 . 0 0 "[ . 1 . 2]" 1
551 1 22 VAL MG1 1 46 GLY H . . 5.390 4.854 4.794 4.946 . 0 0 "[ . 1 . 2]" 1
552 1 22 VAL MG1 1 48 GLU H . . 4.260 4.087 4.011 4.178 . 0 0 "[ . 1 . 2]" 1
553 1 22 VAL MG1 1 48 GLU QB . . 3.820 2.206 2.156 2.309 . 0 0 "[ . 1 . 2]" 1
554 1 22 VAL MG1 1 49 PHE H . . 4.050 2.586 2.529 2.647 . 0 0 "[ . 1 . 2]" 1
555 1 22 VAL MG1 1 49 PHE HA . . 4.560 3.221 3.114 3.302 . 0 0 "[ . 1 . 2]" 1
556 1 22 VAL MG1 1 49 PHE HB2 . . 4.360 2.448 2.388 2.512 . 0 0 "[ . 1 . 2]" 1
557 1 22 VAL MG1 1 49 PHE HB3 . . 4.940 3.233 3.157 3.299 . 0 0 "[ . 1 . 2]" 1
558 1 22 VAL MG1 1 49 PHE QD . . 4.700 4.205 4.133 4.263 . 0 0 "[ . 1 . 2]" 1
559 1 22 VAL MG1 1 50 VAL H . . 5.300 4.830 4.770 4.895 . 0 0 "[ . 1 . 2]" 1
560 1 22 VAL MG1 1 66 LEU MD1 . . 5.510 5.530 5.525 5.537 0.027 6 0 "[ . 1 . 2]" 1
561 1 22 VAL MG2 1 23 LEU H . . 4.400 3.967 3.926 4.003 . 0 0 "[ . 1 . 2]" 1
562 1 22 VAL MG2 1 23 LEU HA . . 5.780 5.588 5.567 5.614 . 0 0 "[ . 1 . 2]" 1
563 1 22 VAL MG2 1 24 TYR QD . . 5.780 5.797 5.787 5.813 0.033 1 0 "[ . 1 . 2]" 1
564 1 22 VAL MG2 1 45 LEU HA . . 5.540 5.018 4.924 5.169 . 0 0 "[ . 1 . 2]" 1
565 1 22 VAL MG2 1 45 LEU HB3 . . 5.250 5.085 4.981 5.150 . 0 0 "[ . 1 . 2]" 1
566 1 22 VAL MG2 1 48 GLU HA . . 5.780 4.809 4.738 4.873 . 0 0 "[ . 1 . 2]" 1
567 1 22 VAL MG2 1 48 GLU QB . . 4.150 3.084 3.002 3.184 . 0 0 "[ . 1 . 2]" 1
568 1 22 VAL MG2 1 49 PHE H . . 4.060 3.497 3.454 3.562 . 0 0 "[ . 1 . 2]" 1
569 1 22 VAL MG2 1 49 PHE HA . . 3.580 2.060 2.020 2.091 . 0 0 "[ . 1 . 2]" 1
570 1 22 VAL MG2 1 49 PHE HB2 . . 4.040 2.481 2.393 2.603 . 0 0 "[ . 1 . 2]" 1
571 1 22 VAL MG2 1 49 PHE HB3 . . 4.570 3.798 3.721 3.896 . 0 0 "[ . 1 . 2]" 1
572 1 22 VAL MG2 1 49 PHE QD . . 3.560 3.102 3.078 3.126 . 0 0 "[ . 1 . 2]" 1
573 1 22 VAL MG2 1 49 PHE QE . . 5.010 5.014 4.997 5.028 0.018 8 0 "[ . 1 . 2]" 1
574 1 22 VAL MG2 1 50 VAL H . . 4.960 5.008 4.995 5.017 0.057 19 0 "[ . 1 . 2]" 1
575 1 22 VAL MG2 1 51 ALA H . . 5.780 5.740 5.695 5.784 0.004 6 0 "[ . 1 . 2]" 1
576 1 22 VAL MG2 1 52 ALA H . . 5.080 4.535 4.380 4.651 . 0 0 "[ . 1 . 2]" 1
577 1 22 VAL MG2 1 52 ALA MB . . 3.740 3.064 2.851 3.226 . 0 0 "[ . 1 . 2]" 1
578 1 22 VAL MG2 1 53 VAL H . . 5.760 5.364 5.222 5.467 . 0 0 "[ . 1 . 2]" 1
579 1 22 VAL MG2 1 53 VAL MG2 . . 4.960 4.934 4.881 4.968 0.008 6 0 "[ . 1 . 2]" 1
580 1 23 LEU H 1 23 LEU MD1 . . 4.110 3.746 3.724 3.769 . 0 0 "[ . 1 . 2]" 1
581 1 23 LEU H 1 23 LEU MD2 . . 3.910 3.073 2.982 3.135 . 0 0 "[ . 1 . 2]" 1
582 1 23 LEU H 1 23 LEU HG . . 3.290 2.248 2.186 2.278 . 0 0 "[ . 1 . 2]" 1
583 1 23 LEU H 1 24 TYR HA . . 5.070 4.789 4.748 4.840 . 0 0 "[ . 1 . 2]" 1
584 1 23 LEU H 1 25 LEU H . . 4.660 3.903 3.799 3.995 . 0 0 "[ . 1 . 2]" 1
585 1 23 LEU H 1 25 LEU HB2 . . 5.780 5.041 4.491 5.300 . 0 0 "[ . 1 . 2]" 1
586 1 23 LEU H 1 41 VAL MG2 . . 5.640 5.534 5.437 5.600 . 0 0 "[ . 1 . 2]" 1
587 1 23 LEU H 1 45 LEU HB3 . . 5.150 5.173 5.153 5.188 0.038 9 0 "[ . 1 . 2]" 1
588 1 23 LEU H 1 45 LEU MD2 . . 4.900 4.259 4.099 4.319 . 0 0 "[ . 1 . 2]" 1
589 1 23 LEU HA 1 23 LEU MD2 . . 2.960 2.161 2.137 2.219 . 0 0 "[ . 1 . 2]" 1
590 1 23 LEU HA 1 24 TYR QD . . 4.640 3.983 3.326 4.496 . 0 0 "[ . 1 . 2]" 1
591 1 23 LEU HA 1 25 LEU H . . 4.980 4.735 4.670 4.856 . 0 0 "[ . 1 . 2]" 1
592 1 23 LEU HA 1 45 LEU MD2 . . 4.500 2.297 2.166 2.411 . 0 0 "[ . 1 . 2]" 1
593 1 23 LEU QB 1 23 LEU MD2 . . 3.200 2.460 2.436 2.482 . 0 0 "[ . 1 . 2]" 1
594 1 23 LEU QB 1 24 TYR H . . 4.120 3.545 3.462 3.596 . 0 0 "[ . 1 . 2]" 1
595 1 23 LEU QB 1 24 TYR QD . . 5.480 5.092 4.821 5.288 . 0 0 "[ . 1 . 2]" 1
596 1 23 LEU QB 1 25 LEU H . . 3.840 3.243 3.097 3.285 . 0 0 "[ . 1 . 2]" 1
597 1 23 LEU QB 1 25 LEU HB2 . . 3.850 2.810 2.616 3.035 . 0 0 "[ . 1 . 2]" 1
598 1 23 LEU QB 1 25 LEU HB3 . . 4.810 3.164 2.833 4.194 . 0 0 "[ . 1 . 2]" 1
599 1 23 LEU QB 1 40 GLY H . . 5.780 5.782 5.625 5.815 0.035 20 0 "[ . 1 . 2]" 1
600 1 23 LEU MD1 1 24 TYR H . . 5.780 5.382 5.323 5.422 . 0 0 "[ . 1 . 2]" 1
601 1 23 LEU MD1 1 25 LEU H . . 5.120 5.116 4.977 5.141 0.021 7 0 "[ . 1 . 2]" 1
602 1 23 LEU MD1 1 36 PHE HA . . 5.470 4.265 4.160 4.373 . 0 0 "[ . 1 . 2]" 1
603 1 23 LEU MD1 1 36 PHE QD . . 4.960 3.916 3.769 4.070 . 0 0 "[ . 1 . 2]" 1
604 1 23 LEU MD1 1 39 LEU H . . 5.350 4.872 4.794 4.925 . 0 0 "[ . 1 . 2]" 1
605 1 23 LEU MD1 1 39 LEU HA . . 5.090 3.951 3.808 4.026 . 0 0 "[ . 1 . 2]" 1
606 1 23 LEU MD1 1 39 LEU HB2 . . 4.820 3.522 3.438 3.575 . 0 0 "[ . 1 . 2]" 1
607 1 23 LEU MD1 1 39 LEU HB3 . . 3.650 2.316 2.131 2.397 . 0 0 "[ . 1 . 2]" 1
608 1 23 LEU MD1 1 40 GLY H . . 4.990 4.077 3.943 4.279 . 0 0 "[ . 1 . 2]" 1
609 1 23 LEU MD1 1 40 GLY QA . . 5.120 3.533 3.305 3.915 . 0 0 "[ . 1 . 2]" 1
610 1 23 LEU MD1 1 41 VAL H . . 5.530 3.453 3.260 3.619 . 0 0 "[ . 1 . 2]" 1
611 1 23 LEU MD2 1 24 TYR H . . 4.640 4.544 4.495 4.583 . 0 0 "[ . 1 . 2]" 1
612 1 23 LEU MD2 1 25 LEU HB2 . . 5.550 5.420 5.297 5.563 0.013 14 0 "[ . 1 . 2]" 1
613 1 23 LEU MD2 1 41 VAL H . . 4.340 3.794 3.676 3.931 . 0 0 "[ . 1 . 2]" 1
614 1 23 LEU MD2 1 41 VAL HA . . 3.910 2.425 2.336 2.641 . 0 0 "[ . 1 . 2]" 1
615 1 23 LEU MD2 1 42 ASP H . . 4.920 3.835 3.736 4.163 . 0 0 "[ . 1 . 2]" 1
616 1 23 LEU MD2 1 45 LEU HB3 . . 3.990 2.201 2.163 2.297 . 0 0 "[ . 1 . 2]" 1
617 1 23 LEU MD2 1 45 LEU MD2 . . 3.400 2.016 1.990 2.039 . 0 0 "[ . 1 . 2]" 1
618 1 23 LEU MD2 1 66 LEU MD1 . . 4.880 4.826 4.647 4.892 0.012 12 0 "[ . 1 . 2]" 1
619 1 23 LEU HG 1 24 TYR H . . 4.730 4.703 4.644 4.741 0.011 10 0 "[ . 1 . 2]" 1
620 1 24 TYR H 1 24 TYR HA . . 2.950 2.241 2.229 2.251 . 0 0 "[ . 1 . 2]" 1
621 1 24 TYR H 1 24 TYR QB . . 3.580 3.341 3.269 3.413 . 0 0 "[ . 1 . 2]" 1
622 1 24 TYR H 1 24 TYR QD . . 4.650 2.989 2.805 3.122 . 0 0 "[ . 1 . 2]" 1
623 1 24 TYR H 1 25 LEU H . . 3.270 2.760 2.677 2.796 . 0 0 "[ . 1 . 2]" 1
624 1 24 TYR H 1 25 LEU HB2 . . 5.190 4.704 4.497 4.843 . 0 0 "[ . 1 . 2]" 1
625 1 24 TYR HA 1 24 TYR QD . . 3.800 2.611 2.301 3.076 . 0 0 "[ . 1 . 2]" 1
626 1 24 TYR HA 1 24 TYR QE . . 4.630 4.601 4.559 4.637 0.007 9 0 "[ . 1 . 2]" 1
627 1 24 TYR HA 1 25 LEU H . . 3.370 2.710 2.578 2.791 . 0 0 "[ . 1 . 2]" 1
628 1 24 TYR QB 1 25 LEU H . . 4.250 3.910 3.886 3.937 . 0 0 "[ . 1 . 2]" 1
629 1 24 TYR QB 1 25 LEU MD1 . . 5.020 4.950 3.921 5.050 0.030 14 0 "[ . 1 . 2]" 1
630 1 24 TYR QD 1 25 LEU H . . 4.880 4.784 4.655 4.895 0.015 15 0 "[ . 1 . 2]" 1
631 1 25 LEU H 1 25 LEU HB2 . . 3.550 2.666 2.249 2.787 . 0 0 "[ . 1 . 2]" 1
632 1 25 LEU H 1 25 LEU HB3 . . 3.580 2.702 2.562 3.379 . 0 0 "[ . 1 . 2]" 1
633 1 25 LEU H 1 25 LEU MD1 . . 4.200 4.141 3.116 4.228 0.028 17 0 "[ . 1 . 2]" 1
634 1 25 LEU H 1 25 LEU MD2 . . 5.780 4.399 4.270 4.477 . 0 0 "[ . 1 . 2]" 1
635 1 25 LEU H 1 26 GLU H . . 4.730 4.448 4.253 4.515 . 0 0 "[ . 1 . 2]" 1
636 1 25 LEU H 1 26 GLU HA . . 5.520 5.061 4.851 5.185 . 0 0 "[ . 1 . 2]" 1
637 1 25 LEU H 1 26 GLU QG . . 5.780 5.447 5.028 5.714 . 0 0 "[ . 1 . 2]" 1
638 1 25 LEU HA 1 25 LEU MD1 . . 3.530 2.150 2.065 2.483 . 0 0 "[ . 1 . 2]" 1
639 1 25 LEU HA 1 25 LEU MD2 . . 4.790 3.866 3.744 3.898 . 0 0 "[ . 1 . 2]" 1
640 1 25 LEU HA 1 26 GLU H . . 2.990 2.549 2.428 2.864 . 0 0 "[ . 1 . 2]" 1
641 1 25 LEU HB2 1 25 LEU MD1 . . 3.380 2.348 2.305 2.420 . 0 0 "[ . 1 . 2]" 1
642 1 25 LEU HB2 1 25 LEU MD2 . . 3.440 2.425 2.348 2.491 . 0 0 "[ . 1 . 2]" 1
643 1 25 LEU HB2 1 26 GLU H . . 4.360 3.917 3.665 4.078 . 0 0 "[ . 1 . 2]" 1
644 1 25 LEU HB3 1 25 LEU MD2 . . 3.620 2.291 2.245 2.345 . 0 0 "[ . 1 . 2]" 1
645 1 25 LEU HB3 1 26 GLU H . . 3.970 3.165 2.380 3.444 . 0 0 "[ . 1 . 2]" 1
646 1 25 LEU HB3 1 30 LEU MD1 . . 5.440 4.358 3.903 4.582 . 0 0 "[ . 1 . 2]" 1
647 1 25 LEU MD1 1 26 GLU H . . 4.140 2.921 2.314 4.162 0.022 19 0 "[ . 1 . 2]" 1
648 1 25 LEU MD1 1 29 ARG QD . . 5.400 3.546 2.502 5.064 . 0 0 "[ . 1 . 2]" 1
649 1 25 LEU MD2 1 26 GLU H . . 3.640 3.527 2.935 3.675 0.035 20 0 "[ . 1 . 2]" 1
650 1 25 LEU MD2 1 29 ARG H . . 5.010 4.356 4.117 4.899 . 0 0 "[ . 1 . 2]" 1
651 1 25 LEU MD2 1 29 ARG HA . . 5.520 4.605 4.382 5.213 . 0 0 "[ . 1 . 2]" 1
652 1 25 LEU MD2 1 29 ARG HB2 . . 4.800 2.905 2.349 3.805 . 0 0 "[ . 1 . 2]" 1
653 1 25 LEU MD2 1 29 ARG QB . . 4.150 2.625 2.287 3.388 . 0 0 "[ . 1 . 2]" 1
654 1 25 LEU MD2 1 29 ARG HB3 . . 4.800 3.057 2.755 3.800 . 0 0 "[ . 1 . 2]" 1
655 1 25 LEU MD2 1 29 ARG QD . . 5.000 4.501 3.711 4.996 . 0 0 "[ . 1 . 2]" 1
656 1 25 LEU MD2 1 30 LEU H . . 4.020 3.320 2.948 3.875 . 0 0 "[ . 1 . 2]" 1
657 1 25 LEU MD2 1 30 LEU HA . . 4.540 3.146 2.929 3.473 . 0 0 "[ . 1 . 2]" 1
658 1 25 LEU HG 1 26 GLU H . . 4.290 1.932 1.706 2.960 . 0 0 "[ . 1 . 2]" 1
659 1 26 GLU H 1 26 GLU HB2 . . 3.020 2.592 2.446 2.761 . 0 0 "[ . 1 . 2]" 1
660 1 26 GLU H 1 26 GLU HB3 . . 4.000 3.742 3.665 3.856 . 0 0 "[ . 1 . 2]" 1
661 1 26 GLU H 1 26 GLU QG . . 3.340 2.767 2.398 3.136 . 0 0 "[ . 1 . 2]" 1
662 1 26 GLU H 1 27 PRO HD2 . . 5.330 4.963 4.921 5.021 . 0 0 "[ . 1 . 2]" 1
663 1 26 GLU H 1 27 PRO QD . . 4.650 4.464 4.399 4.497 . 0 0 "[ . 1 . 2]" 1
664 1 26 GLU H 1 27 PRO HD3 . . 5.330 5.064 4.944 5.139 . 0 0 "[ . 1 . 2]" 1
665 1 26 GLU H 1 29 ARG QB . . 4.710 2.785 2.296 3.333 . 0 0 "[ . 1 . 2]" 1
666 1 26 GLU H 1 29 ARG QD . . 5.200 3.704 2.288 5.108 . 0 0 "[ . 1 . 2]" 1
667 1 26 GLU H 1 29 ARG QG . . 4.870 3.647 2.613 4.382 . 0 0 "[ . 1 . 2]" 1
668 1 26 GLU HA 1 26 GLU QG . . 3.720 2.421 2.334 2.607 . 0 0 "[ . 1 . 2]" 1
669 1 26 GLU HA 1 27 PRO HD2 . . 3.390 2.356 2.264 2.527 . 0 0 "[ . 1 . 2]" 1
670 1 26 GLU HA 1 27 PRO HD3 . . 3.390 2.475 2.341 2.565 . 0 0 "[ . 1 . 2]" 1
671 1 26 GLU HA 1 27 PRO HG2 . . 4.990 4.540 4.474 4.654 . 0 0 "[ . 1 . 2]" 1
672 1 26 GLU HA 1 27 PRO HG3 . . 5.150 4.615 4.573 4.670 . 0 0 "[ . 1 . 2]" 1
673 1 26 GLU HA 1 28 ASP H . . 4.360 3.996 3.755 4.274 . 0 0 "[ . 1 . 2]" 1
674 1 26 GLU HB2 1 27 PRO QD . . 4.870 3.816 3.700 3.973 . 0 0 "[ . 1 . 2]" 1
675 1 26 GLU HB2 1 28 ASP H . . 4.000 3.407 2.891 3.925 . 0 0 "[ . 1 . 2]" 1
676 1 26 GLU HB2 1 29 ARG H . . 3.630 2.947 2.383 3.284 . 0 0 "[ . 1 . 2]" 1
677 1 26 GLU HB2 1 29 ARG HE . . 5.780 4.634 2.692 5.698 . 0 0 "[ . 1 . 2]" 1
678 1 26 GLU HB2 1 29 ARG QG . . 3.660 2.415 2.090 2.928 . 0 0 "[ . 1 . 2]" 1
679 1 26 GLU HB3 1 27 PRO QD . . 3.660 2.467 2.292 2.664 . 0 0 "[ . 1 . 2]" 1
680 1 26 GLU HB3 1 28 ASP H . . 3.400 2.717 2.431 3.204 . 0 0 "[ . 1 . 2]" 1
681 1 26 GLU HB3 1 29 ARG H . . 4.840 3.640 3.247 4.048 . 0 0 "[ . 1 . 2]" 1
682 1 26 GLU QG 1 27 PRO HD2 . . 4.770 3.575 3.333 3.932 . 0 0 "[ . 1 . 2]" 1
683 1 26 GLU QG 1 27 PRO QD . . 4.020 3.421 3.202 3.743 . 0 0 "[ . 1 . 2]" 1
684 1 26 GLU QG 1 27 PRO HD3 . . 4.770 4.369 4.140 4.740 . 0 0 "[ . 1 . 2]" 1
685 1 26 GLU QG 1 28 ASP H . . 5.120 4.718 4.470 5.097 . 0 0 "[ . 1 . 2]" 1
686 1 26 GLU QG 1 29 ARG H . . 5.210 4.899 4.454 5.154 . 0 0 "[ . 1 . 2]" 1
687 1 26 GLU QG 1 29 ARG QD . . 4.950 3.810 2.780 4.968 0.018 1 0 "[ . 1 . 2]" 1
688 1 27 PRO HA 1 29 ARG H . . 4.570 3.837 3.689 3.976 . 0 0 "[ . 1 . 2]" 1
689 1 27 PRO HA 1 30 LEU H . . 4.040 3.245 3.054 3.415 . 0 0 "[ . 1 . 2]" 1
690 1 27 PRO HA 1 30 LEU HB2 . . 4.940 3.720 3.447 3.916 . 0 0 "[ . 1 . 2]" 1
691 1 27 PRO HA 1 30 LEU MD2 . . 4.050 3.319 2.929 3.679 . 0 0 "[ . 1 . 2]" 1
692 1 27 PRO HA 1 30 LEU HG . . 5.780 5.313 5.103 5.634 . 0 0 "[ . 1 . 2]" 1
693 1 27 PRO HB2 1 28 ASP H . . 4.040 3.808 3.687 3.869 . 0 0 "[ . 1 . 2]" 1
694 1 27 PRO HB3 1 28 ASP H . . 4.830 4.409 4.355 4.442 . 0 0 "[ . 1 . 2]" 1
695 1 27 PRO QD 1 28 ASP H . . 3.690 2.839 2.765 2.928 . 0 0 "[ . 1 . 2]" 1
696 1 27 PRO HG2 1 28 ASP H . . 4.560 2.833 2.641 2.921 . 0 0 "[ . 1 . 2]" 1
697 1 27 PRO HG2 1 29 ARG H . . 5.780 5.197 5.006 5.316 . 0 0 "[ . 1 . 2]" 1
698 1 27 PRO HG3 1 28 ASP H . . 4.640 4.313 4.173 4.375 . 0 0 "[ . 1 . 2]" 1
699 1 28 ASP H 1 28 ASP HB2 . . 3.950 2.675 2.479 3.659 . 0 0 "[ . 1 . 2]" 1
700 1 28 ASP H 1 28 ASP QB . . 3.270 2.428 2.155 2.845 . 0 0 "[ . 1 . 2]" 1
701 1 28 ASP H 1 28 ASP HB3 . . 3.950 3.071 2.345 3.666 . 0 0 "[ . 1 . 2]" 1
702 1 28 ASP H 1 29 ARG H . . 3.030 2.534 2.343 2.685 . 0 0 "[ . 1 . 2]" 1
703 1 28 ASP H 1 29 ARG QG . . 4.820 4.149 3.930 4.335 . 0 0 "[ . 1 . 2]" 1
704 1 28 ASP H 1 30 LEU H . . 4.420 4.065 3.924 4.178 . 0 0 "[ . 1 . 2]" 1
705 1 28 ASP HA 1 30 LEU H . . 4.550 4.383 3.827 4.561 0.011 14 0 "[ . 1 . 2]" 1
706 1 28 ASP QB 1 29 ARG H . . 4.280 3.120 2.881 3.836 . 0 0 "[ . 1 . 2]" 1
707 1 28 ASP HB2 1 29 ARG H . . 4.910 3.677 3.138 4.206 . 0 0 "[ . 1 . 2]" 1
708 1 28 ASP HB3 1 29 ARG H . . 4.910 3.752 2.941 4.426 . 0 0 "[ . 1 . 2]" 1
709 1 29 ARG H 1 29 ARG HB2 . . 4.110 2.466 2.377 2.648 . 0 0 "[ . 1 . 2]" 1
710 1 29 ARG H 1 29 ARG QB . . 3.520 2.429 2.346 2.595 . 0 0 "[ . 1 . 2]" 1
711 1 29 ARG H 1 29 ARG HB3 . . 4.110 3.659 3.616 3.715 . 0 0 "[ . 1 . 2]" 1
712 1 29 ARG H 1 29 ARG QD . . 4.870 4.004 3.309 4.431 . 0 0 "[ . 1 . 2]" 1
713 1 29 ARG H 1 29 ARG HG2 . . 3.830 3.362 2.296 3.875 0.045 17 0 "[ . 1 . 2]" 1
714 1 29 ARG H 1 29 ARG HG3 . . 3.830 3.114 2.682 3.850 0.020 1 0 "[ . 1 . 2]" 1
715 1 29 ARG H 1 30 LEU H . . 3.010 2.265 2.183 2.379 . 0 0 "[ . 1 . 2]" 1
716 1 29 ARG H 1 30 LEU HA . . 5.780 5.030 4.974 5.085 . 0 0 "[ . 1 . 2]" 1
717 1 29 ARG H 1 30 LEU HB3 . . 4.960 4.171 4.066 4.305 . 0 0 "[ . 1 . 2]" 1
718 1 29 ARG HA 1 29 ARG QD . . 4.050 3.580 2.180 4.131 0.081 12 0 "[ . 1 . 2]" 1
719 1 29 ARG HA 1 29 ARG HE . . 4.590 4.026 2.572 4.724 0.134 19 0 "[ . 1 . 2]" 1
720 1 29 ARG HA 1 29 ARG QG . . 3.640 2.556 2.205 3.171 . 0 0 "[ . 1 . 2]" 1
721 1 29 ARG QB 1 29 ARG HE . . 4.750 3.147 2.256 4.131 . 0 0 "[ . 1 . 2]" 1
722 1 29 ARG QB 1 30 LEU H . . 3.870 2.893 2.631 3.425 . 0 0 "[ . 1 . 2]" 1
723 1 29 ARG HB2 1 30 LEU H . . 4.630 2.990 2.706 3.613 . 0 0 "[ . 1 . 2]" 1
724 1 29 ARG HB3 1 30 LEU H . . 4.630 3.879 3.594 4.247 . 0 0 "[ . 1 . 2]" 1
725 1 29 ARG QG 1 30 LEU H . . 4.610 4.204 3.966 4.401 . 0 0 "[ . 1 . 2]" 1
726 1 30 LEU H 1 30 LEU HB2 . . 3.500 2.766 2.610 3.030 . 0 0 "[ . 1 . 2]" 1
727 1 30 LEU H 1 30 LEU HB3 . . 3.410 2.272 2.220 2.376 . 0 0 "[ . 1 . 2]" 1
728 1 30 LEU H 1 30 LEU MD1 . . 5.540 4.336 4.240 4.487 . 0 0 "[ . 1 . 2]" 1
729 1 30 LEU H 1 30 LEU MD2 . . 4.340 3.925 3.831 4.026 . 0 0 "[ . 1 . 2]" 1
730 1 30 LEU H 1 30 LEU HG . . 4.870 4.532 4.488 4.596 . 0 0 "[ . 1 . 2]" 1
731 1 30 LEU H 1 31 ASP H . . 4.900 4.640 4.551 4.669 . 0 0 "[ . 1 . 2]" 1
732 1 30 LEU HA 1 30 LEU MD1 . . 4.030 3.629 3.602 3.664 . 0 0 "[ . 1 . 2]" 1
733 1 30 LEU HA 1 30 LEU MD2 . . 4.110 3.592 3.535 3.626 . 0 0 "[ . 1 . 2]" 1
734 1 30 LEU HA 1 30 LEU HG . . 3.440 2.679 2.603 2.764 . 0 0 "[ . 1 . 2]" 1
735 1 30 LEU HA 1 31 ASP H . . 2.920 2.241 2.192 2.281 . 0 0 "[ . 1 . 2]" 1
736 1 30 LEU HA 1 31 ASP HB2 . . 4.840 4.748 4.661 4.826 . 0 0 "[ . 1 . 2]" 1
737 1 30 LEU HA 1 39 LEU MD1 . . 4.120 3.321 3.114 3.460 . 0 0 "[ . 1 . 2]" 1
738 1 30 LEU HB2 1 30 LEU MD1 . . 3.530 2.223 2.207 2.244 . 0 0 "[ . 1 . 2]" 1
739 1 30 LEU HB2 1 31 ASP H . . 4.490 3.967 3.892 4.205 . 0 0 "[ . 1 . 2]" 1
740 1 30 LEU HB2 1 39 LEU MD1 . . 4.340 4.342 4.277 4.360 0.020 16 0 "[ . 1 . 2]" 1
741 1 30 LEU HB3 1 30 LEU MD2 . . 3.480 2.273 2.247 2.296 . 0 0 "[ . 1 . 2]" 1
742 1 30 LEU HB3 1 31 ASP H . . 4.550 4.166 4.133 4.304 . 0 0 "[ . 1 . 2]" 1
743 1 30 LEU MD1 1 31 ASP H . . 4.430 4.059 3.997 4.376 . 0 0 "[ . 1 . 2]" 1
744 1 30 LEU MD1 1 31 ASP HA . . 5.540 5.353 5.245 5.544 0.004 20 0 "[ . 1 . 2]" 1
745 1 30 LEU MD1 1 36 PHE QE . . 4.950 4.964 4.942 4.975 0.025 9 0 "[ . 1 . 2]" 1
746 1 30 LEU MD1 1 39 LEU HG . . 3.840 2.494 2.358 2.744 . 0 0 "[ . 1 . 2]" 1
747 1 30 LEU MD1 1 72 PRO QB . . 3.920 3.708 3.492 3.915 . 0 0 "[ . 1 . 2]" 1
748 1 30 LEU MD2 1 31 ASP H . . 4.530 3.109 3.029 3.256 . 0 0 "[ . 1 . 2]" 1
749 1 30 LEU MD2 1 32 PRO HA . . 4.320 2.889 2.727 3.263 . 0 0 "[ . 1 . 2]" 1
750 1 30 LEU MD2 1 32 PRO HB3 . . 5.080 3.392 3.064 4.038 . 0 0 "[ . 1 . 2]" 1
751 1 30 LEU MD2 1 32 PRO HD2 . . 5.630 4.094 3.817 4.584 . 0 0 "[ . 1 . 2]" 1
752 1 30 LEU MD2 1 32 PRO QD . . 4.780 2.821 2.496 3.394 . 0 0 "[ . 1 . 2]" 1
753 1 30 LEU MD2 1 32 PRO HD3 . . 5.630 2.876 2.530 3.498 . 0 0 "[ . 1 . 2]" 1
754 1 30 LEU MD2 1 32 PRO QG . . 5.570 4.141 2.863 4.778 . 0 0 "[ . 1 . 2]" 1
755 1 30 LEU MD2 1 72 PRO QB . . 5.400 3.932 3.674 4.133 . 0 0 "[ . 1 . 2]" 1
756 1 30 LEU HG 1 31 ASP H . . 4.510 2.383 2.307 2.768 . 0 0 "[ . 1 . 2]" 1
757 1 30 LEU HG 1 39 LEU MD1 . . 4.400 2.812 2.531 2.960 . 0 0 "[ . 1 . 2]" 1
758 1 31 ASP H 1 31 ASP HB2 . . 3.380 2.747 2.670 2.775 . 0 0 "[ . 1 . 2]" 1
759 1 31 ASP H 1 31 ASP HB3 . . 3.790 3.829 3.797 3.842 0.052 11 0 "[ . 1 . 2]" 1
760 1 31 ASP H 1 32 PRO QD . . 5.030 4.326 4.228 4.433 . 0 0 "[ . 1 . 2]" 1
761 1 31 ASP H 1 34 GLU QB . . 4.870 3.447 2.979 3.717 . 0 0 "[ . 1 . 2]" 1
762 1 31 ASP H 1 39 LEU MD1 . . 3.730 2.456 2.225 2.770 . 0 0 "[ . 1 . 2]" 1
763 1 31 ASP H 1 39 LEU MD2 . . 4.760 3.635 3.401 4.256 . 0 0 "[ . 1 . 2]" 1
764 1 31 ASP HA 1 32 PRO HD2 . . 3.610 2.393 2.258 2.779 . 0 0 "[ . 1 . 2]" 1
765 1 31 ASP HA 1 32 PRO HD3 . . 3.610 2.346 2.042 2.447 . 0 0 "[ . 1 . 2]" 1
766 1 31 ASP HA 1 32 PRO QG . . 4.670 4.042 3.894 4.071 . 0 0 "[ . 1 . 2]" 1
767 1 31 ASP HA 1 33 GLU H . . 4.700 4.052 3.802 4.183 . 0 0 "[ . 1 . 2]" 1
768 1 31 ASP HB2 1 33 GLU H . . 5.160 3.773 3.502 3.868 . 0 0 "[ . 1 . 2]" 1
769 1 31 ASP HB2 1 34 GLU H . . 4.360 3.203 2.872 3.324 . 0 0 "[ . 1 . 2]" 1
770 1 31 ASP HB2 1 34 GLU QB . . 4.670 2.440 2.276 3.064 . 0 0 "[ . 1 . 2]" 1
771 1 31 ASP HB2 1 34 GLU HG2 . . 4.680 3.277 2.424 4.068 . 0 0 "[ . 1 . 2]" 1
772 1 31 ASP HB2 1 34 GLU HG3 . . 4.680 4.328 2.520 4.695 0.015 16 0 "[ . 1 . 2]" 1
773 1 31 ASP HB3 1 32 PRO QD . . 4.870 2.706 2.454 3.119 . 0 0 "[ . 1 . 2]" 1
774 1 31 ASP HB3 1 32 PRO QG . . 5.780 4.381 4.143 5.073 . 0 0 "[ . 1 . 2]" 1
775 1 31 ASP HB3 1 33 GLU H . . 5.130 3.044 2.781 3.172 . 0 0 "[ . 1 . 2]" 1
776 1 31 ASP HB3 1 33 GLU QG . . 5.610 4.376 2.534 4.801 . 0 0 "[ . 1 . 2]" 1
777 1 31 ASP HB3 1 34 GLU H . . 4.470 3.732 3.501 3.828 . 0 0 "[ . 1 . 2]" 1
778 1 31 ASP HB3 1 34 GLU QB . . 5.780 3.849 3.670 4.411 . 0 0 "[ . 1 . 2]" 1
779 1 31 ASP HB3 1 34 GLU QG . . 5.610 4.376 3.393 4.655 . 0 0 "[ . 1 . 2]" 1
780 1 32 PRO HA 1 34 GLU H . . 4.370 3.897 3.740 4.093 . 0 0 "[ . 1 . 2]" 1
781 1 32 PRO HA 1 39 LEU MD2 . . 5.390 3.766 3.473 4.221 . 0 0 "[ . 1 . 2]" 1
782 1 32 PRO HA 1 72 PRO HG2 . . 4.000 2.177 2.139 2.229 . 0 0 "[ . 1 . 2]" 1
783 1 32 PRO HA 1 72 PRO HG3 . . 4.390 2.750 2.626 2.950 . 0 0 "[ . 1 . 2]" 1
784 1 32 PRO HA 1 73 ALA H . . 4.690 4.037 3.810 4.315 . 0 0 "[ . 1 . 2]" 1
785 1 32 PRO HB2 1 33 GLU H . . 3.930 3.734 2.963 3.869 . 0 0 "[ . 1 . 2]" 1
786 1 32 PRO HB2 1 34 GLU H . . 5.780 5.371 5.054 5.453 . 0 0 "[ . 1 . 2]" 1
787 1 32 PRO HB2 1 73 ALA H . . 5.150 4.077 3.856 4.660 . 0 0 "[ . 1 . 2]" 1
788 1 32 PRO HB2 1 73 ALA MB . . 3.750 2.545 2.308 2.932 . 0 0 "[ . 1 . 2]" 1
789 1 32 PRO HB3 1 73 ALA MB . . 4.510 3.910 2.892 4.390 . 0 0 "[ . 1 . 2]" 1
790 1 32 PRO QD 1 33 GLU H . . 3.770 2.752 2.707 2.809 . 0 0 "[ . 1 . 2]" 1
791 1 32 PRO QG 1 33 GLU H . . 3.950 2.786 2.582 3.999 0.049 17 0 "[ . 1 . 2]" 1
792 1 32 PRO QG 1 73 ALA MB . . 5.260 3.947 3.767 4.345 . 0 0 "[ . 1 . 2]" 1
793 1 33 GLU H 1 33 GLU HB2 . . 3.770 2.557 2.351 3.719 . 0 0 "[ . 1 . 2]" 1
794 1 33 GLU H 1 33 GLU QB . . 3.170 2.431 2.322 2.771 . 0 0 "[ . 1 . 2]" 1
795 1 33 GLU H 1 33 GLU HB3 . . 3.770 3.546 2.821 3.658 . 0 0 "[ . 1 . 2]" 1
796 1 33 GLU H 1 33 GLU HG2 . . 4.160 3.253 2.070 3.699 . 0 0 "[ . 1 . 2]" 1
797 1 33 GLU H 1 33 GLU QG . . 3.650 2.441 2.043 2.628 . 0 0 "[ . 1 . 2]" 1
798 1 33 GLU H 1 33 GLU HG3 . . 4.160 2.840 2.364 3.834 . 0 0 "[ . 1 . 2]" 1
799 1 33 GLU H 1 34 GLU H . . 2.960 2.507 2.448 2.613 . 0 0 "[ . 1 . 2]" 1
800 1 33 GLU H 1 34 GLU QB . . 4.590 4.229 4.099 4.475 . 0 0 "[ . 1 . 2]" 1
801 1 33 GLU H 1 72 PRO HG3 . . 5.780 5.795 5.777 5.810 0.030 9 0 "[ . 1 . 2]" 1
802 1 33 GLU H 1 73 ALA MB . . 5.780 4.575 4.367 4.815 . 0 0 "[ . 1 . 2]" 1
803 1 33 GLU HA 1 33 GLU HG2 . . 4.200 2.731 2.450 3.805 . 0 0 "[ . 1 . 2]" 1
804 1 33 GLU HA 1 33 GLU QG . . 3.640 2.599 2.366 3.374 . 0 0 "[ . 1 . 2]" 1
805 1 33 GLU HA 1 33 GLU HG3 . . 4.200 3.318 3.075 3.799 . 0 0 "[ . 1 . 2]" 1
806 1 33 GLU HA 1 73 ALA MB . . 4.660 3.331 3.105 3.528 . 0 0 "[ . 1 . 2]" 1
807 1 33 GLU QB 1 34 GLU H . . 4.550 3.333 3.166 3.968 . 0 0 "[ . 1 . 2]" 1
808 1 33 GLU HB2 1 34 GLU H . . 5.350 3.508 3.289 4.427 . 0 0 "[ . 1 . 2]" 1
809 1 33 GLU HB3 1 34 GLU H . . 5.350 4.208 4.122 4.483 . 0 0 "[ . 1 . 2]" 1
810 1 33 GLU QG 1 34 GLU H . . 5.610 4.287 3.139 4.522 . 0 0 "[ . 1 . 2]" 1
811 1 33 GLU QG 1 73 ALA MB . . 5.350 3.962 3.362 5.293 . 0 0 "[ . 1 . 2]" 1
812 1 34 GLU H 1 34 GLU QB . . 3.060 2.227 2.196 2.330 . 0 0 "[ . 1 . 2]" 1
813 1 34 GLU H 1 34 GLU HG2 . . 4.560 4.089 3.112 4.355 . 0 0 "[ . 1 . 2]" 1
814 1 34 GLU H 1 34 GLU QG . . 3.870 3.693 3.041 3.903 0.033 12 0 "[ . 1 . 2]" 1
815 1 34 GLU H 1 34 GLU HG3 . . 4.560 4.319 3.273 4.472 . 0 0 "[ . 1 . 2]" 1
816 1 34 GLU H 1 35 THR H . . 4.920 4.626 4.588 4.647 . 0 0 "[ . 1 . 2]" 1
817 1 34 GLU H 1 39 LEU MD1 . . 4.570 3.664 3.578 3.743 . 0 0 "[ . 1 . 2]" 1
818 1 34 GLU H 1 39 LEU MD2 . . 5.340 4.319 4.108 4.574 . 0 0 "[ . 1 . 2]" 1
819 1 34 GLU H 1 72 PRO HD2 . . 5.020 4.252 4.119 4.374 . 0 0 "[ . 1 . 2]" 1
820 1 34 GLU H 1 72 PRO HG2 . . 5.020 4.810 4.726 4.860 . 0 0 "[ . 1 . 2]" 1
821 1 34 GLU H 1 72 PRO HG3 . . 5.080 5.086 5.039 5.109 0.029 12 0 "[ . 1 . 2]" 1
822 1 34 GLU HA 1 34 GLU QG . . 3.860 2.525 2.223 3.012 . 0 0 "[ . 1 . 2]" 1
823 1 34 GLU HA 1 35 THR H . . 2.880 2.332 2.282 2.409 . 0 0 "[ . 1 . 2]" 1
824 1 34 GLU HA 1 35 THR MG . . 3.970 3.556 3.457 3.702 . 0 0 "[ . 1 . 2]" 1
825 1 34 GLU HA 1 39 LEU MD1 . . 5.780 4.213 4.070 4.418 . 0 0 "[ . 1 . 2]" 1
826 1 34 GLU HA 1 39 LEU MD2 . . 5.780 5.377 5.286 5.528 . 0 0 "[ . 1 . 2]" 1
827 1 34 GLU HA 1 71 THR MG . . 5.780 3.635 3.539 3.797 . 0 0 "[ . 1 . 2]" 1
828 1 34 GLU QB 1 35 THR H . . 3.540 2.668 2.286 2.817 . 0 0 "[ . 1 . 2]" 1
829 1 34 GLU QB 1 38 THR HB . . 5.780 4.698 4.431 4.802 . 0 0 "[ . 1 . 2]" 1
830 1 34 GLU QB 1 38 THR MG . . 3.870 2.141 2.018 2.185 . 0 0 "[ . 1 . 2]" 1
831 1 34 GLU QB 1 39 LEU H . . 4.770 4.204 3.938 4.285 . 0 0 "[ . 1 . 2]" 1
832 1 34 GLU QB 1 39 LEU MD1 . . 3.450 2.092 1.956 2.145 . 0 0 "[ . 1 . 2]" 1
833 1 34 GLU QG 1 35 THR H . . 3.970 3.336 3.122 3.998 0.028 13 0 "[ . 1 . 2]" 1
834 1 34 GLU QG 1 38 THR H . . 5.610 5.624 5.578 5.685 0.075 15 0 "[ . 1 . 2]" 1
835 1 34 GLU QG 1 38 THR HB . . 5.580 4.744 4.630 5.046 . 0 0 "[ . 1 . 2]" 1
836 1 34 GLU QG 1 39 LEU H . . 5.610 5.563 5.461 5.618 0.008 4 0 "[ . 1 . 2]" 1
837 1 34 GLU QG 1 39 LEU MD1 . . 3.820 3.447 3.156 3.655 . 0 0 "[ . 1 . 2]" 1
838 1 34 GLU HG2 1 35 THR H . . 4.760 4.493 3.387 4.748 . 0 0 "[ . 1 . 2]" 1
839 1 34 GLU HG2 1 38 THR MG . . 4.290 3.121 2.418 3.815 . 0 0 "[ . 1 . 2]" 1
840 1 34 GLU HG2 1 39 LEU MD1 . . 4.360 3.805 3.662 4.382 0.022 14 0 "[ . 1 . 2]" 1
841 1 34 GLU HG3 1 35 THR H . . 4.760 3.514 3.187 4.521 . 0 0 "[ . 1 . 2]" 1
842 1 34 GLU HG3 1 38 THR MG . . 4.290 2.547 2.386 3.778 . 0 0 "[ . 1 . 2]" 1
843 1 34 GLU HG3 1 39 LEU MD1 . . 4.360 4.032 3.341 4.212 . 0 0 "[ . 1 . 2]" 1
844 1 35 THR H 1 35 THR MG . . 3.130 2.298 2.249 2.397 . 0 0 "[ . 1 . 2]" 1
845 1 35 THR H 1 36 PHE H . . 4.940 4.678 4.651 4.695 . 0 0 "[ . 1 . 2]" 1
846 1 35 THR H 1 38 THR H . . 4.220 4.022 3.893 4.104 . 0 0 "[ . 1 . 2]" 1
847 1 35 THR H 1 38 THR HB . . 4.550 4.379 4.257 4.572 0.022 15 0 "[ . 1 . 2]" 1
848 1 35 THR H 1 38 THR MG . . 4.160 2.378 2.290 2.700 . 0 0 "[ . 1 . 2]" 1
849 1 35 THR H 1 39 LEU MD1 . . 4.090 3.770 3.681 3.941 . 0 0 "[ . 1 . 2]" 1
850 1 35 THR H 1 71 THR MG . . 4.510 3.625 3.546 3.733 . 0 0 "[ . 1 . 2]" 1
851 1 35 THR HA 1 35 THR MG . . 3.440 2.368 2.346 2.399 . 0 0 "[ . 1 . 2]" 1
852 1 35 THR HA 1 36 PHE H . . 3.020 2.278 2.251 2.292 . 0 0 "[ . 1 . 2]" 1
853 1 35 THR HA 1 36 PHE QD . . 4.990 4.776 4.718 4.819 . 0 0 "[ . 1 . 2]" 1
854 1 35 THR HA 1 37 LEU H . . 4.420 4.065 3.897 4.145 . 0 0 "[ . 1 . 2]" 1
855 1 35 THR HA 1 71 THR H . . 5.180 4.691 4.638 4.751 . 0 0 "[ . 1 . 2]" 1
856 1 35 THR HA 1 71 THR HA . . 4.080 2.650 2.571 2.815 . 0 0 "[ . 1 . 2]" 1
857 1 35 THR HA 1 71 THR MG . . 3.330 2.189 2.137 2.238 . 0 0 "[ . 1 . 2]" 1
858 1 35 THR HB 1 36 PHE H . . 3.440 2.638 2.611 2.683 . 0 0 "[ . 1 . 2]" 1
859 1 35 THR HB 1 37 LEU H . . 3.440 2.503 2.280 2.605 . 0 0 "[ . 1 . 2]" 1
860 1 35 THR HB 1 38 THR H . . 4.400 3.725 3.577 3.917 . 0 0 "[ . 1 . 2]" 1
861 1 35 THR HB 1 71 THR HA . . 5.060 4.654 4.539 4.845 . 0 0 "[ . 1 . 2]" 1
862 1 35 THR HB 1 71 THR MG . . 4.220 4.014 3.931 4.145 . 0 0 "[ . 1 . 2]" 1
863 1 35 THR MG 1 36 PHE H . . 4.040 3.754 3.728 3.778 . 0 0 "[ . 1 . 2]" 1
864 1 35 THR MG 1 37 LEU H . . 4.530 4.127 3.946 4.201 . 0 0 "[ . 1 . 2]" 1
865 1 35 THR MG 1 38 THR H . . 4.770 4.331 4.223 4.472 . 0 0 "[ . 1 . 2]" 1
866 1 35 THR MG 1 70 PRO HB3 . . 5.070 3.801 3.724 3.893 . 0 0 "[ . 1 . 2]" 1
867 1 35 THR MG 1 70 PRO HG2 . . 5.050 4.193 4.067 4.428 . 0 0 "[ . 1 . 2]" 1
868 1 35 THR MG 1 71 THR HA . . 5.170 4.209 4.080 4.444 . 0 0 "[ . 1 . 2]" 1
869 1 35 THR MG 1 71 THR MG . . 3.290 2.540 2.414 2.758 . 0 0 "[ . 1 . 2]" 1
870 1 36 PHE H 1 36 PHE HB2 . . 3.570 2.366 2.307 2.409 . 0 0 "[ . 1 . 2]" 1
871 1 36 PHE H 1 36 PHE HB3 . . 3.860 3.527 3.502 3.547 . 0 0 "[ . 1 . 2]" 1
872 1 36 PHE H 1 36 PHE QD . . 3.620 3.144 3.062 3.190 . 0 0 "[ . 1 . 2]" 1
873 1 36 PHE H 1 36 PHE QE . . 4.870 4.681 4.620 4.744 . 0 0 "[ . 1 . 2]" 1
874 1 36 PHE H 1 37 LEU H . . 3.590 2.823 2.767 2.851 . 0 0 "[ . 1 . 2]" 1
875 1 36 PHE H 1 37 LEU HB2 . . 5.450 5.063 5.001 5.116 . 0 0 "[ . 1 . 2]" 1
876 1 36 PHE H 1 37 LEU MD2 . . 5.550 5.203 5.019 5.326 . 0 0 "[ . 1 . 2]" 1
877 1 36 PHE H 1 37 LEU HG . . 5.070 4.330 4.160 4.425 . 0 0 "[ . 1 . 2]" 1
878 1 36 PHE H 1 39 LEU HB2 . . 5.010 4.629 4.542 4.739 . 0 0 "[ . 1 . 2]" 1
879 1 36 PHE H 1 39 LEU MD2 . . 4.670 4.085 4.021 4.173 . 0 0 "[ . 1 . 2]" 1
880 1 36 PHE H 1 41 VAL HB . . 5.580 5.419 5.383 5.466 . 0 0 "[ . 1 . 2]" 1
881 1 36 PHE H 1 41 VAL MG1 . . 5.780 5.807 5.787 5.822 0.042 13 0 "[ . 1 . 2]" 1
882 1 36 PHE H 1 66 LEU MD1 . . 5.710 5.489 5.133 5.625 . 0 0 "[ . 1 . 2]" 1
883 1 36 PHE H 1 70 PRO HA . . 5.080 4.093 4.053 4.151 . 0 0 "[ . 1 . 2]" 1
884 1 36 PHE H 1 70 PRO HB2 . . 5.320 4.669 4.627 4.729 . 0 0 "[ . 1 . 2]" 1
885 1 36 PHE H 1 71 THR H . . 5.600 4.806 4.761 4.859 . 0 0 "[ . 1 . 2]" 1
886 1 36 PHE H 1 71 THR HA . . 3.820 2.929 2.872 2.996 . 0 0 "[ . 1 . 2]" 1
887 1 36 PHE H 1 71 THR MG . . 4.240 3.885 3.822 3.967 . 0 0 "[ . 1 . 2]" 1
888 1 36 PHE H 1 72 PRO HD2 . . 5.010 4.556 4.465 4.683 . 0 0 "[ . 1 . 2]" 1
889 1 36 PHE H 1 72 PRO HD3 . . 5.650 3.998 3.902 4.092 . 0 0 "[ . 1 . 2]" 1
890 1 36 PHE HA 1 36 PHE QD . . 3.330 2.216 2.173 2.288 . 0 0 "[ . 1 . 2]" 1
891 1 36 PHE HA 1 39 LEU H . . 3.970 3.530 3.486 3.584 . 0 0 "[ . 1 . 2]" 1
892 1 36 PHE HA 1 39 LEU HB2 . . 4.240 2.312 2.220 2.374 . 0 0 "[ . 1 . 2]" 1
893 1 36 PHE HA 1 39 LEU HB3 . . 4.660 3.570 3.415 3.679 . 0 0 "[ . 1 . 2]" 1
894 1 36 PHE HA 1 39 LEU MD2 . . 3.860 2.737 2.610 2.791 . 0 0 "[ . 1 . 2]" 1
895 1 36 PHE HA 1 41 VAL HB . . 4.710 3.734 3.654 3.873 . 0 0 "[ . 1 . 2]" 1
896 1 36 PHE HA 1 41 VAL MG1 . . 4.910 4.507 4.401 4.619 . 0 0 "[ . 1 . 2]" 1
897 1 36 PHE HA 1 41 VAL MG2 . . 4.370 2.618 2.534 2.748 . 0 0 "[ . 1 . 2]" 1
898 1 36 PHE HB2 1 37 LEU H . . 3.680 2.845 2.768 2.954 . 0 0 "[ . 1 . 2]" 1
899 1 36 PHE HB2 1 41 VAL HB . . 4.210 3.679 3.603 3.725 . 0 0 "[ . 1 . 2]" 1
900 1 36 PHE HB2 1 41 VAL MG1 . . 4.990 4.102 4.040 4.146 . 0 0 "[ . 1 . 2]" 1
901 1 36 PHE HB2 1 41 VAL MG2 . . 4.730 3.753 3.716 3.848 . 0 0 "[ . 1 . 2]" 1
902 1 36 PHE HB3 1 37 LEU H . . 4.270 3.727 3.615 3.828 . 0 0 "[ . 1 . 2]" 1
903 1 36 PHE HB3 1 37 LEU HA . . 5.230 4.508 4.410 4.635 . 0 0 "[ . 1 . 2]" 1
904 1 36 PHE HB3 1 41 VAL H . . 4.660 4.081 3.992 4.151 . 0 0 "[ . 1 . 2]" 1
905 1 36 PHE HB3 1 41 VAL HB . . 4.230 2.237 2.170 2.287 . 0 0 "[ . 1 . 2]" 1
906 1 36 PHE HB3 1 41 VAL MG1 . . 4.170 2.781 2.749 2.826 . 0 0 "[ . 1 . 2]" 1
907 1 36 PHE HB3 1 41 VAL MG2 . . 4.140 2.279 2.234 2.390 . 0 0 "[ . 1 . 2]" 1
908 1 36 PHE QD 1 37 LEU H . . 4.880 4.592 4.546 4.658 . 0 0 "[ . 1 . 2]" 1
909 1 36 PHE QD 1 39 LEU H . . 5.600 5.425 5.355 5.512 . 0 0 "[ . 1 . 2]" 1
910 1 36 PHE QD 1 39 LEU HB2 . . 4.840 3.767 3.687 3.886 . 0 0 "[ . 1 . 2]" 1
911 1 36 PHE QD 1 39 LEU HB3 . . 4.870 4.247 4.107 4.361 . 0 0 "[ . 1 . 2]" 1
912 1 36 PHE QD 1 39 LEU MD2 . . 4.510 2.968 2.726 3.166 . 0 0 "[ . 1 . 2]" 1
913 1 36 PHE QD 1 39 LEU HG . . 5.780 5.505 5.335 5.681 . 0 0 "[ . 1 . 2]" 1
914 1 36 PHE QD 1 41 VAL HB . . 4.960 4.144 4.112 4.183 . 0 0 "[ . 1 . 2]" 1
915 1 36 PHE QD 1 41 VAL MG1 . . 3.980 3.821 3.769 3.869 . 0 0 "[ . 1 . 2]" 1
916 1 36 PHE QD 1 41 VAL MG2 . . 3.130 2.257 2.226 2.297 . 0 0 "[ . 1 . 2]" 1
917 1 36 PHE QD 1 66 LEU HB3 . . 5.310 4.766 4.521 5.329 0.019 5 0 "[ . 1 . 2]" 1
918 1 36 PHE QD 1 66 LEU MD1 . . 3.870 3.122 2.866 3.194 . 0 0 "[ . 1 . 2]" 1
919 1 36 PHE QD 1 66 LEU MD2 . . 4.850 4.525 3.900 4.641 . 0 0 "[ . 1 . 2]" 1
920 1 36 PHE QD 1 70 PRO HA . . 3.290 3.294 3.240 3.318 0.028 20 0 "[ . 1 . 2]" 1
921 1 36 PHE QD 1 71 THR H . . 5.060 4.345 4.234 4.410 . 0 0 "[ . 1 . 2]" 1
922 1 36 PHE QD 1 71 THR HA . . 4.670 3.963 3.924 4.001 . 0 0 "[ . 1 . 2]" 1
923 1 36 PHE QD 1 72 PRO HA . . 5.210 4.666 4.595 4.752 . 0 0 "[ . 1 . 2]" 1
924 1 36 PHE QD 1 72 PRO QB . . 5.330 4.023 3.951 4.152 . 0 0 "[ . 1 . 2]" 1
925 1 36 PHE QE 1 41 VAL MG1 . . 5.590 4.834 4.755 4.923 . 0 0 "[ . 1 . 2]" 1
926 1 36 PHE QE 1 41 VAL MG2 . . 4.730 3.864 3.796 3.941 . 0 0 "[ . 1 . 2]" 1
927 1 36 PHE QE 1 49 PHE QD . . 5.500 4.907 4.690 5.133 . 0 0 "[ . 1 . 2]" 1
928 1 36 PHE QE 1 66 LEU HA . . 4.610 2.954 2.843 3.119 . 0 0 "[ . 1 . 2]" 1
929 1 36 PHE QE 1 66 LEU MD1 . . 3.830 2.887 2.835 3.014 . 0 0 "[ . 1 . 2]" 1
930 1 36 PHE QE 1 66 LEU MD2 . . 3.360 3.318 2.740 3.380 0.020 16 0 "[ . 1 . 2]" 1
931 1 36 PHE QE 1 70 PRO HA . . 4.530 4.523 4.451 4.547 0.017 18 0 "[ . 1 . 2]" 1
932 1 36 PHE QE 1 72 PRO HA . . 3.920 2.818 2.732 2.936 . 0 0 "[ . 1 . 2]" 1
933 1 36 PHE QE 1 72 PRO QB . . 4.800 2.419 2.365 2.529 . 0 0 "[ . 1 . 2]" 1
934 1 36 PHE QE 1 72 PRO HD3 . . 4.750 3.122 2.967 3.322 . 0 0 "[ . 1 . 2]" 1
935 1 36 PHE QE 1 72 PRO HG3 . . 4.600 4.178 3.983 4.395 . 0 0 "[ . 1 . 2]" 1
936 1 36 PHE QE 1 75 PHE H . . 4.560 4.199 4.097 4.349 . 0 0 "[ . 1 . 2]" 1
937 1 36 PHE QE 1 75 PHE HB2 . . 4.470 2.868 2.789 3.030 . 0 0 "[ . 1 . 2]" 1
938 1 36 PHE QE 1 75 PHE HB3 . . 4.410 3.704 3.603 3.798 . 0 0 "[ . 1 . 2]" 1
939 1 36 PHE HZ 1 66 LEU MD1 . . 4.380 3.210 3.085 3.578 . 0 0 "[ . 1 . 2]" 1
940 1 36 PHE HZ 1 72 PRO HA . . 3.550 2.352 2.296 2.401 . 0 0 "[ . 1 . 2]" 1
941 1 36 PHE HZ 1 72 PRO QB . . 4.940 3.704 3.570 3.799 . 0 0 "[ . 1 . 2]" 1
942 1 36 PHE HZ 1 75 PHE H . . 4.590 3.988 3.877 4.142 . 0 0 "[ . 1 . 2]" 1
943 1 36 PHE HZ 1 75 PHE HB2 . . 4.400 2.668 2.574 2.795 . 0 0 "[ . 1 . 2]" 1
944 1 36 PHE HZ 1 75 PHE HB3 . . 4.130 2.504 2.450 2.584 . 0 0 "[ . 1 . 2]" 1
945 1 36 PHE HZ 1 76 ALA H . . 5.300 5.019 4.893 5.144 . 0 0 "[ . 1 . 2]" 1
946 1 37 LEU H 1 37 LEU HB2 . . 2.990 2.505 2.467 2.545 . 0 0 "[ . 1 . 2]" 1
947 1 37 LEU H 1 37 LEU HB3 . . 3.970 3.590 3.574 3.601 . 0 0 "[ . 1 . 2]" 1
948 1 37 LEU H 1 37 LEU MD1 . . 3.940 3.613 3.592 3.633 . 0 0 "[ . 1 . 2]" 1
949 1 37 LEU H 1 37 LEU MD2 . . 3.950 3.251 3.203 3.317 . 0 0 "[ . 1 . 2]" 1
950 1 37 LEU H 1 37 LEU HG . . 3.420 2.196 2.163 2.236 . 0 0 "[ . 1 . 2]" 1
951 1 37 LEU H 1 38 THR H . . 3.770 2.843 2.800 2.910 . 0 0 "[ . 1 . 2]" 1
952 1 37 LEU H 1 38 THR MG . . 5.130 4.403 4.334 4.475 . 0 0 "[ . 1 . 2]" 1
953 1 37 LEU H 1 41 VAL HB . . 5.130 4.582 4.325 4.744 . 0 0 "[ . 1 . 2]" 1
954 1 37 LEU H 1 41 VAL MG2 . . 4.820 4.792 4.721 4.830 0.010 8 0 "[ . 1 . 2]" 1
955 1 37 LEU HA 1 37 LEU MD2 . . 3.910 2.175 2.158 2.206 . 0 0 "[ . 1 . 2]" 1
956 1 37 LEU HA 1 40 GLY H . . 4.490 3.704 3.618 3.789 . 0 0 "[ . 1 . 2]" 1
957 1 37 LEU HA 1 41 VAL H . . 3.920 3.601 3.329 3.737 . 0 0 "[ . 1 . 2]" 1
958 1 37 LEU HB2 1 37 LEU MD1 . . 3.600 2.336 2.313 2.353 . 0 0 "[ . 1 . 2]" 1
959 1 37 LEU HB2 1 37 LEU MD2 . . 3.490 3.261 3.255 3.270 . 0 0 "[ . 1 . 2]" 1
960 1 37 LEU HB2 1 38 THR H . . 3.650 2.611 2.580 2.659 . 0 0 "[ . 1 . 2]" 1
961 1 37 LEU HB2 1 39 LEU H . . 4.870 4.879 4.831 4.891 0.021 3 0 "[ . 1 . 2]" 1
962 1 37 LEU HB3 1 38 THR H . . 4.500 3.664 3.625 3.733 . 0 0 "[ . 1 . 2]" 1
963 1 37 LEU MD1 1 38 THR H . . 4.540 4.536 4.505 4.555 0.015 13 0 "[ . 1 . 2]" 1
964 1 37 LEU MD2 1 38 THR H . . 4.840 4.779 4.756 4.817 . 0 0 "[ . 1 . 2]" 1
965 1 37 LEU MD2 1 41 VAL H . . 5.040 4.733 4.489 4.860 . 0 0 "[ . 1 . 2]" 1
966 1 38 THR H 1 38 THR HB . . 3.170 2.584 2.542 2.626 . 0 0 "[ . 1 . 2]" 1
967 1 38 THR H 1 38 THR MG . . 3.630 2.306 2.195 2.406 . 0 0 "[ . 1 . 2]" 1
968 1 38 THR H 1 39 LEU HB2 . . 4.990 4.301 4.248 4.374 . 0 0 "[ . 1 . 2]" 1
969 1 38 THR H 1 39 LEU MD1 . . 5.320 4.103 3.950 4.223 . 0 0 "[ . 1 . 2]" 1
970 1 38 THR H 1 40 GLY H . . 4.820 3.979 3.949 4.007 . 0 0 "[ . 1 . 2]" 1
971 1 38 THR HA 1 38 THR MG . . 3.540 3.246 3.233 3.258 . 0 0 "[ . 1 . 2]" 1
972 1 38 THR HA 1 40 GLY H . . 4.730 3.663 3.563 3.798 . 0 0 "[ . 1 . 2]" 1
973 1 38 THR HB 1 39 LEU H . . 4.550 4.126 4.087 4.204 . 0 0 "[ . 1 . 2]" 1
974 1 38 THR MG 1 39 LEU H . . 3.900 2.658 2.600 2.792 . 0 0 "[ . 1 . 2]" 1
975 1 38 THR MG 1 39 LEU HA . . 4.760 3.726 3.633 3.801 . 0 0 "[ . 1 . 2]" 1
976 1 38 THR MG 1 39 LEU MD1 . . 4.040 2.375 2.315 2.477 . 0 0 "[ . 1 . 2]" 1
977 1 38 THR MG 1 40 GLY H . . 5.710 4.606 4.560 4.649 . 0 0 "[ . 1 . 2]" 1
978 1 39 LEU H 1 39 LEU HB2 . . 3.190 2.129 2.107 2.147 . 0 0 "[ . 1 . 2]" 1
979 1 39 LEU H 1 39 LEU HB3 . . 3.790 3.452 3.427 3.472 . 0 0 "[ . 1 . 2]" 1
980 1 39 LEU H 1 39 LEU MD1 . . 3.390 2.614 2.523 2.693 . 0 0 "[ . 1 . 2]" 1
981 1 39 LEU H 1 39 LEU MD2 . . 5.010 3.646 3.593 3.725 . 0 0 "[ . 1 . 2]" 1
982 1 39 LEU H 1 39 LEU HG . . 4.700 4.229 4.189 4.275 . 0 0 "[ . 1 . 2]" 1
983 1 39 LEU H 1 40 GLY H . . 3.180 2.658 2.557 2.731 . 0 0 "[ . 1 . 2]" 1
984 1 39 LEU HA 1 39 LEU MD1 . . 2.990 2.233 2.209 2.278 . 0 0 "[ . 1 . 2]" 1
985 1 39 LEU HA 1 39 LEU MD2 . . 4.030 3.833 3.811 3.848 . 0 0 "[ . 1 . 2]" 1
986 1 39 LEU HA 1 39 LEU HG . . 4.440 2.669 2.599 2.696 . 0 0 "[ . 1 . 2]" 1
987 1 39 LEU HB2 1 40 GLY H . . 4.430 3.314 3.192 3.384 . 0 0 "[ . 1 . 2]" 1
988 1 39 LEU HB2 1 41 VAL MG2 . . 4.780 3.064 2.878 3.186 . 0 0 "[ . 1 . 2]" 1
989 1 39 LEU HB3 1 39 LEU MD1 . . 3.390 3.268 3.255 3.276 . 0 0 "[ . 1 . 2]" 1
990 1 39 LEU HB3 1 40 GLY H . . 4.660 3.706 3.617 3.778 . 0 0 "[ . 1 . 2]" 1
991 1 39 LEU HB3 1 41 VAL MG2 . . 3.810 2.972 2.638 3.128 . 0 0 "[ . 1 . 2]" 1
992 1 39 LEU MD1 1 40 GLY H . . 5.550 4.515 4.459 4.548 . 0 0 "[ . 1 . 2]" 1
993 1 39 LEU MD2 1 72 PRO HD2 . . 5.110 3.202 3.049 3.351 . 0 0 "[ . 1 . 2]" 1
994 1 39 LEU MD2 1 72 PRO HD3 . . 5.370 2.528 2.425 2.673 . 0 0 "[ . 1 . 2]" 1
995 1 39 LEU MD2 1 72 PRO HG3 . . 4.400 2.349 2.283 2.454 . 0 0 "[ . 1 . 2]" 1
996 1 39 LEU HG 1 40 GLY H . . 5.780 5.393 5.351 5.437 . 0 0 "[ . 1 . 2]" 1
997 1 40 GLY H 1 41 VAL H . . 3.370 2.311 2.221 2.387 . 0 0 "[ . 1 . 2]" 1
998 1 40 GLY H 1 41 VAL HB . . 5.010 4.578 4.455 4.660 . 0 0 "[ . 1 . 2]" 1
999 1 40 GLY H 1 41 VAL MG2 . . 4.260 3.729 3.625 3.824 . 0 0 "[ . 1 . 2]" 1
1000 1 40 GLY QA 1 41 VAL MG2 . . 4.490 4.188 4.134 4.225 . 0 0 "[ . 1 . 2]" 1
1001 1 41 VAL H 1 41 VAL HB . . 3.220 2.530 2.506 2.559 . 0 0 "[ . 1 . 2]" 1
1002 1 41 VAL H 1 41 VAL MG1 . . 4.250 3.809 3.799 3.826 . 0 0 "[ . 1 . 2]" 1
1003 1 41 VAL H 1 41 VAL MG2 . . 3.570 2.207 2.132 2.255 . 0 0 "[ . 1 . 2]" 1
1004 1 41 VAL H 1 42 ASP H . . 4.860 4.581 4.536 4.636 . 0 0 "[ . 1 . 2]" 1
1005 1 41 VAL H 1 45 LEU MD1 . . 5.330 5.351 5.335 5.364 0.034 4 0 "[ . 1 . 2]" 1
1006 1 41 VAL HA 1 41 VAL MG1 . . 3.520 2.412 2.394 2.428 . 0 0 "[ . 1 . 2]" 1
1007 1 41 VAL HA 1 41 VAL MG2 . . 3.480 2.484 2.446 2.517 . 0 0 "[ . 1 . 2]" 1
1008 1 41 VAL HA 1 42 ASP H . . 3.040 2.155 2.108 2.228 . 0 0 "[ . 1 . 2]" 1
1009 1 41 VAL HA 1 42 ASP QB . . 4.890 4.420 4.109 4.725 . 0 0 "[ . 1 . 2]" 1
1010 1 41 VAL HA 1 45 LEU H . . 5.150 4.935 4.703 5.008 . 0 0 "[ . 1 . 2]" 1
1011 1 41 VAL HA 1 45 LEU HB2 . . 4.170 2.686 2.530 2.757 . 0 0 "[ . 1 . 2]" 1
1012 1 41 VAL HA 1 45 LEU HB3 . . 4.750 3.641 3.547 3.747 . 0 0 "[ . 1 . 2]" 1
1013 1 41 VAL HA 1 45 LEU MD2 . . 3.910 3.199 3.130 3.281 . 0 0 "[ . 1 . 2]" 1
1014 1 41 VAL HA 1 46 GLY H . . 4.830 4.702 4.556 4.772 . 0 0 "[ . 1 . 2]" 1
1015 1 41 VAL HB 1 42 ASP H . . 5.120 4.002 3.909 4.117 . 0 0 "[ . 1 . 2]" 1
1016 1 41 VAL HB 1 46 GLY H . . 5.780 5.707 5.609 5.765 . 0 0 "[ . 1 . 2]" 1
1017 1 41 VAL HB 1 66 LEU MD1 . . 4.890 4.255 3.951 4.338 . 0 0 "[ . 1 . 2]" 1
1018 1 41 VAL MG1 1 42 ASP H . . 3.760 2.510 2.391 2.698 . 0 0 "[ . 1 . 2]" 1
1019 1 41 VAL MG1 1 45 LEU H . . 4.640 4.117 4.015 4.224 . 0 0 "[ . 1 . 2]" 1
1020 1 41 VAL MG1 1 45 LEU HA . . 4.730 4.717 4.632 4.745 0.015 3 0 "[ . 1 . 2]" 1
1021 1 41 VAL MG1 1 45 LEU HB2 . . 3.990 2.670 2.601 2.744 . 0 0 "[ . 1 . 2]" 1
1022 1 41 VAL MG1 1 45 LEU HB3 . . 4.050 3.550 3.474 3.593 . 0 0 "[ . 1 . 2]" 1
1023 1 41 VAL MG1 1 45 LEU MD2 . . 4.260 4.263 4.242 4.273 0.013 12 0 "[ . 1 . 2]" 1
1024 1 41 VAL MG1 1 46 GLY H . . 3.650 2.782 2.708 2.855 . 0 0 "[ . 1 . 2]" 1
1025 1 41 VAL MG1 1 46 GLY HA2 . . 3.710 2.842 2.732 2.911 . 0 0 "[ . 1 . 2]" 1
1026 1 41 VAL MG1 1 46 GLY HA3 . . 3.870 3.127 3.019 3.172 . 0 0 "[ . 1 . 2]" 1
1027 1 41 VAL MG1 1 47 VAL H . . 5.180 4.920 4.841 4.957 . 0 0 "[ . 1 . 2]" 1
1028 1 41 VAL MG1 1 47 VAL MG2 . . 5.780 5.785 5.683 5.806 0.026 1 0 "[ . 1 . 2]" 1
1029 1 41 VAL MG1 1 49 PHE H . . 5.440 5.371 5.295 5.427 . 0 0 "[ . 1 . 2]" 1
1030 1 41 VAL MG1 1 49 PHE HB2 . . 5.310 5.225 5.151 5.298 . 0 0 "[ . 1 . 2]" 1
1031 1 41 VAL MG1 1 49 PHE QD . . 5.290 4.801 4.609 5.117 . 0 0 "[ . 1 . 2]" 1
1032 1 41 VAL MG1 1 66 LEU MD1 . . 4.470 2.233 2.072 2.332 . 0 0 "[ . 1 . 2]" 1
1033 1 41 VAL MG2 1 42 ASP H . . 4.320 4.003 3.940 4.073 . 0 0 "[ . 1 . 2]" 1
1034 1 41 VAL MG2 1 45 LEU HB2 . . 4.690 3.881 3.751 4.009 . 0 0 "[ . 1 . 2]" 1
1035 1 41 VAL MG2 1 46 GLY H . . 5.340 4.871 4.771 4.999 . 0 0 "[ . 1 . 2]" 1
1036 1 41 VAL MG2 1 66 LEU MD1 . . 3.940 3.134 2.880 3.255 . 0 0 "[ . 1 . 2]" 1
1037 1 42 ASP H 1 42 ASP QB . . 3.730 2.839 2.686 3.281 . 0 0 "[ . 1 . 2]" 1
1038 1 42 ASP H 1 43 SER H . . 4.950 4.386 4.339 4.449 . 0 0 "[ . 1 . 2]" 1
1039 1 42 ASP H 1 45 LEU H . . 4.240 3.293 3.112 3.387 . 0 0 "[ . 1 . 2]" 1
1040 1 42 ASP H 1 45 LEU HA . . 5.200 5.006 4.917 5.115 . 0 0 "[ . 1 . 2]" 1
1041 1 42 ASP H 1 45 LEU HB2 . . 3.610 2.153 2.035 2.314 . 0 0 "[ . 1 . 2]" 1
1042 1 42 ASP H 1 45 LEU HB3 . . 4.250 3.830 3.712 4.045 . 0 0 "[ . 1 . 2]" 1
1043 1 42 ASP H 1 45 LEU MD1 . . 4.530 2.194 1.969 2.596 . 0 0 "[ . 1 . 2]" 1
1044 1 42 ASP H 1 45 LEU MD2 . . 4.040 3.604 3.424 4.004 . 0 0 "[ . 1 . 2]" 1
1045 1 42 ASP H 1 45 LEU HG . . 4.900 4.546 4.431 4.875 . 0 0 "[ . 1 . 2]" 1
1046 1 42 ASP H 1 46 GLY H . . 4.700 3.528 3.230 3.785 . 0 0 "[ . 1 . 2]" 1
1047 1 42 ASP HA 1 45 LEU MD1 . . 4.970 4.103 3.992 4.660 . 0 0 "[ . 1 . 2]" 1
1048 1 42 ASP QB 1 43 SER H . . 3.330 2.744 2.046 3.349 0.019 12 0 "[ . 1 . 2]" 1
1049 1 42 ASP QB 1 43 SER QB . . 5.320 4.506 3.906 5.014 . 0 0 "[ . 1 . 2]" 1
1050 1 42 ASP QB 1 44 ILE H . . 4.820 3.424 3.114 3.659 . 0 0 "[ . 1 . 2]" 1
1051 1 43 SER H 1 43 SER QB . . 3.500 2.543 2.436 2.617 . 0 0 "[ . 1 . 2]" 1
1052 1 43 SER H 1 44 ILE H . . 3.980 3.067 2.987 3.122 . 0 0 "[ . 1 . 2]" 1
1053 1 43 SER H 1 44 ILE QG . . 5.610 4.562 4.410 5.621 0.011 15 0 "[ . 1 . 2]" 1
1054 1 43 SER H 1 45 LEU H . . 5.100 4.601 4.501 4.860 . 0 0 "[ . 1 . 2]" 1
1055 1 43 SER H 1 46 GLY H . . 5.170 4.784 4.727 4.963 . 0 0 "[ . 1 . 2]" 1
1056 1 43 SER HA 1 46 GLY H . . 5.170 3.515 3.332 3.960 . 0 0 "[ . 1 . 2]" 1
1057 1 43 SER HA 1 47 VAL H . . 4.450 4.061 3.885 4.264 . 0 0 "[ . 1 . 2]" 1
1058 1 43 SER HA 1 47 VAL MG2 . . 4.670 4.065 3.806 4.207 . 0 0 "[ . 1 . 2]" 1
1059 1 43 SER QB 1 44 ILE H . . 4.380 3.025 2.626 3.506 . 0 0 "[ . 1 . 2]" 1
1060 1 44 ILE H 1 44 ILE HB . . 3.060 2.528 2.481 2.587 . 0 0 "[ . 1 . 2]" 1
1061 1 44 ILE H 1 44 ILE MD . . 4.290 3.314 1.979 3.806 . 0 0 "[ . 1 . 2]" 1
1062 1 44 ILE H 1 44 ILE QG . . 3.300 2.201 2.066 3.210 . 0 0 "[ . 1 . 2]" 1
1063 1 44 ILE H 1 44 ILE MG . . 4.010 3.809 3.792 3.843 . 0 0 "[ . 1 . 2]" 1
1064 1 44 ILE H 1 45 LEU H . . 3.120 2.683 2.460 2.759 . 0 0 "[ . 1 . 2]" 1
1065 1 44 ILE H 1 45 LEU HB2 . . 5.330 5.003 4.711 5.095 . 0 0 "[ . 1 . 2]" 1
1066 1 44 ILE H 1 45 LEU MD1 . . 4.740 3.378 3.284 3.440 . 0 0 "[ . 1 . 2]" 1
1067 1 44 ILE H 1 45 LEU HG . . 5.380 5.369 5.267 5.401 0.021 17 0 "[ . 1 . 2]" 1
1068 1 44 ILE H 1 46 GLY H . . 4.300 3.975 3.747 4.118 . 0 0 "[ . 1 . 2]" 1
1069 1 44 ILE HA 1 44 ILE MD . . 4.130 3.105 2.196 3.903 . 0 0 "[ . 1 . 2]" 1
1070 1 44 ILE HA 1 44 ILE HG12 . . 4.360 2.935 2.517 3.700 . 0 0 "[ . 1 . 2]" 1
1071 1 44 ILE HA 1 44 ILE QG . . 3.730 2.731 2.397 3.117 . 0 0 "[ . 1 . 2]" 1
1072 1 44 ILE HA 1 44 ILE HG13 . . 4.360 3.362 2.506 3.830 . 0 0 "[ . 1 . 2]" 1
1073 1 44 ILE HA 1 44 ILE MG . . 3.300 2.419 2.367 2.464 . 0 0 "[ . 1 . 2]" 1
1074 1 44 ILE HA 1 46 GLY H . . 4.960 4.410 4.337 4.511 . 0 0 "[ . 1 . 2]" 1
1075 1 44 ILE HA 1 47 VAL H . . 4.130 3.601 3.425 3.900 . 0 0 "[ . 1 . 2]" 1
1076 1 44 ILE HA 1 47 VAL HB . . 4.450 3.049 2.870 3.453 . 0 0 "[ . 1 . 2]" 1
1077 1 44 ILE HA 1 47 VAL MG1 . . 5.340 4.407 4.244 4.732 . 0 0 "[ . 1 . 2]" 1
1078 1 44 ILE HA 1 47 VAL MG2 . . 4.170 3.521 3.264 3.767 . 0 0 "[ . 1 . 2]" 1
1079 1 44 ILE HA 1 48 GLU H . . 4.890 4.197 4.103 4.501 . 0 0 "[ . 1 . 2]" 1
1080 1 44 ILE HB 1 45 LEU H . . 3.360 2.644 2.497 2.714 . 0 0 "[ . 1 . 2]" 1
1081 1 44 ILE HB 1 45 LEU MD1 . . 5.070 2.743 2.445 2.868 . 0 0 "[ . 1 . 2]" 1
1082 1 44 ILE HB 1 46 GLY H . . 5.070 4.966 4.898 5.029 . 0 0 "[ . 1 . 2]" 1
1083 1 44 ILE MD 1 45 LEU H . . 5.150 4.649 3.907 4.736 . 0 0 "[ . 1 . 2]" 1
1084 1 44 ILE QG 1 44 ILE MG . . 3.150 2.297 2.033 2.376 . 0 0 "[ . 1 . 2]" 1
1085 1 44 ILE QG 1 45 LEU H . . 4.580 4.069 3.956 4.519 . 0 0 "[ . 1 . 2]" 1
1086 1 44 ILE QG 1 48 GLU QG . . 5.610 5.434 5.242 5.616 0.006 17 0 "[ . 1 . 2]" 1
1087 1 44 ILE HG12 1 44 ILE MG . . 3.620 2.776 2.164 3.238 . 0 0 "[ . 1 . 2]" 1
1088 1 44 ILE HG13 1 44 ILE MG . . 3.620 2.784 2.282 3.258 . 0 0 "[ . 1 . 2]" 1
1089 1 44 ILE MG 1 45 LEU H . . 3.770 3.490 3.347 3.565 . 0 0 "[ . 1 . 2]" 1
1090 1 44 ILE MG 1 45 LEU HA . . 3.930 3.594 3.438 3.698 . 0 0 "[ . 1 . 2]" 1
1091 1 44 ILE MG 1 45 LEU HG . . 4.180 3.665 3.469 3.791 . 0 0 "[ . 1 . 2]" 1
1092 1 44 ILE MG 1 46 GLY H . . 5.780 5.073 5.015 5.120 . 0 0 "[ . 1 . 2]" 1
1093 1 44 ILE MG 1 47 VAL H . . 5.400 4.949 4.850 5.115 . 0 0 "[ . 1 . 2]" 1
1094 1 44 ILE MG 1 47 VAL HB . . 5.270 4.095 3.892 4.407 . 0 0 "[ . 1 . 2]" 1
1095 1 44 ILE MG 1 48 GLU H . . 4.840 4.194 4.127 4.392 . 0 0 "[ . 1 . 2]" 1
1096 1 44 ILE MG 1 48 GLU QB . . 5.430 4.110 3.992 4.256 . 0 0 "[ . 1 . 2]" 1
1097 1 44 ILE MG 1 48 GLU QG . . 4.730 2.819 2.622 3.101 . 0 0 "[ . 1 . 2]" 1
1098 1 45 LEU H 1 45 LEU HB2 . . 3.460 2.590 2.546 2.623 . 0 0 "[ . 1 . 2]" 1
1099 1 45 LEU H 1 45 LEU HB3 . . 3.930 3.638 3.624 3.647 . 0 0 "[ . 1 . 2]" 1
1100 1 45 LEU H 1 45 LEU MD1 . . 3.760 1.866 1.823 1.933 . 0 0 "[ . 1 . 2]" 1
1101 1 45 LEU H 1 45 LEU MD2 . . 4.190 4.050 4.017 4.077 . 0 0 "[ . 1 . 2]" 1
1102 1 45 LEU H 1 45 LEU HG . . 3.390 3.026 2.958 3.129 . 0 0 "[ . 1 . 2]" 1
1103 1 45 LEU H 1 46 GLY H . . 3.450 2.555 2.498 2.709 . 0 0 "[ . 1 . 2]" 1
1104 1 45 LEU H 1 46 GLY HA3 . . 5.320 4.814 4.748 4.983 . 0 0 "[ . 1 . 2]" 1
1105 1 45 LEU H 1 47 VAL H . . 4.910 4.412 4.353 4.561 . 0 0 "[ . 1 . 2]" 1
1106 1 45 LEU HA 1 45 LEU MD1 . . 4.330 3.527 3.412 3.557 . 0 0 "[ . 1 . 2]" 1
1107 1 45 LEU HA 1 45 LEU MD2 . . 4.380 3.480 3.440 3.530 . 0 0 "[ . 1 . 2]" 1
1108 1 45 LEU HA 1 48 GLU H . . 3.950 3.409 3.330 3.492 . 0 0 "[ . 1 . 2]" 1
1109 1 45 LEU HA 1 48 GLU QB . . 4.080 2.377 2.298 2.513 . 0 0 "[ . 1 . 2]" 1
1110 1 45 LEU HB2 1 45 LEU MD2 . . 3.600 2.711 2.661 2.732 . 0 0 "[ . 1 . 2]" 1
1111 1 45 LEU HB2 1 46 GLY H . . 3.710 2.886 2.843 2.997 . 0 0 "[ . 1 . 2]" 1
1112 1 45 LEU HB3 1 45 LEU MD2 . . 3.660 2.212 2.198 2.223 . 0 0 "[ . 1 . 2]" 1
1113 1 45 LEU HB3 1 46 GLY H . . 4.440 3.885 3.856 3.908 . 0 0 "[ . 1 . 2]" 1
1114 1 45 LEU MD1 1 46 GLY H . . 4.950 3.828 3.776 4.002 . 0 0 "[ . 1 . 2]" 1
1115 1 45 LEU MD1 1 48 GLU QB . . 5.780 5.270 5.185 5.387 . 0 0 "[ . 1 . 2]" 1
1116 1 45 LEU MD1 1 48 GLU QG . . 5.760 5.220 5.000 5.631 . 0 0 "[ . 1 . 2]" 1
1117 1 45 LEU MD2 1 46 GLY H . . 5.110 5.056 5.027 5.110 . 0 0 "[ . 1 . 2]" 1
1118 1 45 LEU HG 1 46 GLY H . . 4.990 4.859 4.825 4.997 0.007 20 0 "[ . 1 . 2]" 1
1119 1 46 GLY H 1 47 VAL H . . 3.400 2.933 2.885 2.973 . 0 0 "[ . 1 . 2]" 1
1120 1 46 GLY H 1 47 VAL MG2 . . 4.970 4.551 4.462 4.602 . 0 0 "[ . 1 . 2]" 1
1121 1 46 GLY H 1 48 GLU H . . 4.530 4.260 4.216 4.317 . 0 0 "[ . 1 . 2]" 1
1122 1 46 GLY H 1 48 GLU QB . . 5.090 4.849 4.792 4.923 . 0 0 "[ . 1 . 2]" 1
1123 1 46 GLY H 1 66 LEU MD1 . . 4.640 4.484 4.265 4.634 . 0 0 "[ . 1 . 2]" 1
1124 1 46 GLY H 1 66 LEU HG . . 5.470 5.183 5.059 5.273 . 0 0 "[ . 1 . 2]" 1
1125 1 46 GLY HA2 1 48 GLU H . . 5.120 4.683 4.653 4.705 . 0 0 "[ . 1 . 2]" 1
1126 1 46 GLY HA2 1 49 PHE H . . 4.340 3.747 3.694 3.779 . 0 0 "[ . 1 . 2]" 1
1127 1 46 GLY HA2 1 49 PHE HB2 . . 4.960 4.411 4.311 4.493 . 0 0 "[ . 1 . 2]" 1
1128 1 46 GLY HA2 1 49 PHE HB3 . . 4.770 2.946 2.841 3.015 . 0 0 "[ . 1 . 2]" 1
1129 1 46 GLY HA2 1 49 PHE QD . . 4.650 3.360 3.224 3.582 . 0 0 "[ . 1 . 2]" 1
1130 1 46 GLY HA2 1 50 VAL H . . 4.990 4.145 4.110 4.193 . 0 0 "[ . 1 . 2]" 1
1131 1 46 GLY HA3 1 49 PHE H . . 4.970 4.847 4.814 4.877 . 0 0 "[ . 1 . 2]" 1
1132 1 46 GLY HA3 1 49 PHE QD . . 5.440 4.763 4.609 4.946 . 0 0 "[ . 1 . 2]" 1
1133 1 47 VAL H 1 47 VAL HB . . 2.990 2.479 2.448 2.512 . 0 0 "[ . 1 . 2]" 1
1134 1 47 VAL H 1 47 VAL MG1 . . 4.030 3.800 3.792 3.812 . 0 0 "[ . 1 . 2]" 1
1135 1 47 VAL H 1 47 VAL MG2 . . 3.040 2.191 2.154 2.228 . 0 0 "[ . 1 . 2]" 1
1136 1 47 VAL H 1 48 GLU H . . 3.320 2.876 2.814 2.920 . 0 0 "[ . 1 . 2]" 1
1137 1 47 VAL H 1 49 PHE H . . 4.640 4.453 4.408 4.486 . 0 0 "[ . 1 . 2]" 1
1138 1 47 VAL H 1 50 VAL MG2 . . 5.040 4.626 4.544 4.693 . 0 0 "[ . 1 . 2]" 1
1139 1 47 VAL H 1 63 ALA MB . . 5.200 3.850 3.437 4.028 . 0 0 "[ . 1 . 2]" 1
1140 1 47 VAL HA 1 47 VAL MG1 . . 3.540 2.479 2.453 2.514 . 0 0 "[ . 1 . 2]" 1
1141 1 47 VAL HA 1 47 VAL MG2 . . 3.230 2.385 2.367 2.444 . 0 0 "[ . 1 . 2]" 1
1142 1 47 VAL HA 1 49 PHE H . . 4.910 4.597 4.552 4.644 . 0 0 "[ . 1 . 2]" 1
1143 1 47 VAL HA 1 50 VAL H . . 4.110 3.544 3.477 3.588 . 0 0 "[ . 1 . 2]" 1
1144 1 47 VAL HA 1 50 VAL HB . . 4.240 2.615 2.545 2.676 . 0 0 "[ . 1 . 2]" 1
1145 1 47 VAL HA 1 50 VAL MG1 . . 4.630 3.974 3.910 4.051 . 0 0 "[ . 1 . 2]" 1
1146 1 47 VAL HA 1 50 VAL MG2 . . 3.770 3.398 3.254 3.476 . 0 0 "[ . 1 . 2]" 1
1147 1 47 VAL HA 1 51 ALA H . . 4.640 3.995 3.928 4.139 . 0 0 "[ . 1 . 2]" 1
1148 1 47 VAL HA 1 63 ALA MB . . 4.130 2.600 2.346 2.722 . 0 0 "[ . 1 . 2]" 1
1149 1 47 VAL HB 1 48 GLU H . . 4.050 2.715 2.661 2.758 . 0 0 "[ . 1 . 2]" 1
1150 1 47 VAL HB 1 49 PHE H . . 5.780 5.320 5.267 5.353 . 0 0 "[ . 1 . 2]" 1
1151 1 47 VAL MG1 1 48 GLU H . . 4.570 3.403 3.329 3.479 . 0 0 "[ . 1 . 2]" 1
1152 1 47 VAL MG1 1 48 GLU HA . . 4.220 3.563 3.500 3.643 . 0 0 "[ . 1 . 2]" 1
1153 1 47 VAL MG1 1 50 VAL H . . 5.750 4.875 4.838 4.906 . 0 0 "[ . 1 . 2]" 1
1154 1 47 VAL MG1 1 51 ALA H . . 4.500 4.050 3.989 4.166 . 0 0 "[ . 1 . 2]" 1
1155 1 47 VAL MG1 1 51 ALA MB . . 4.190 3.359 3.297 3.531 . 0 0 "[ . 1 . 2]" 1
1156 1 47 VAL MG1 1 63 ALA HA . . 5.320 5.332 5.322 5.341 0.021 12 0 "[ . 1 . 2]" 1
1157 1 47 VAL MG2 1 48 GLU H . . 4.240 4.029 4.000 4.055 . 0 0 "[ . 1 . 2]" 1
1158 1 47 VAL MG2 1 63 ALA H . . 5.170 4.402 4.006 4.525 . 0 0 "[ . 1 . 2]" 1
1159 1 47 VAL MG2 1 63 ALA HA . . 4.560 4.254 4.204 4.316 . 0 0 "[ . 1 . 2]" 1
1160 1 47 VAL MG2 1 63 ALA MB . . 3.370 2.095 2.018 2.146 . 0 0 "[ . 1 . 2]" 1
1161 1 48 GLU H 1 48 GLU QB . . 3.030 2.270 2.250 2.316 . 0 0 "[ . 1 . 2]" 1
1162 1 48 GLU H 1 48 GLU QG . . 3.700 2.449 2.381 2.493 . 0 0 "[ . 1 . 2]" 1
1163 1 48 GLU H 1 49 PHE H . . 3.270 2.864 2.828 2.888 . 0 0 "[ . 1 . 2]" 1
1164 1 48 GLU H 1 49 PHE HB2 . . 5.780 5.571 5.524 5.610 . 0 0 "[ . 1 . 2]" 1
1165 1 48 GLU H 1 49 PHE HB3 . . 4.860 4.718 4.662 4.759 . 0 0 "[ . 1 . 2]" 1
1166 1 48 GLU H 1 50 VAL H . . 4.670 4.233 4.178 4.263 . 0 0 "[ . 1 . 2]" 1
1167 1 48 GLU H 1 50 VAL MG2 . . 5.300 5.269 5.213 5.303 0.003 5 0 "[ . 1 . 2]" 1
1168 1 48 GLU H 1 51 ALA MB . . 5.620 4.790 4.748 4.861 . 0 0 "[ . 1 . 2]" 1
1169 1 48 GLU HA 1 50 VAL H . . 4.920 4.566 4.504 4.622 . 0 0 "[ . 1 . 2]" 1
1170 1 48 GLU HA 1 51 ALA H . . 4.090 3.625 3.536 3.711 . 0 0 "[ . 1 . 2]" 1
1171 1 48 GLU HA 1 51 ALA MB . . 3.560 2.783 2.678 2.840 . 0 0 "[ . 1 . 2]" 1
1172 1 48 GLU HA 1 52 ALA H . . 5.150 4.407 4.296 4.490 . 0 0 "[ . 1 . 2]" 1
1173 1 48 GLU QB 1 49 PHE H . . 3.440 2.543 2.515 2.578 . 0 0 "[ . 1 . 2]" 1
1174 1 48 GLU QB 1 50 VAL MG2 . . 5.780 5.836 5.829 5.845 0.065 6 0 "[ . 1 . 2]" 1
1175 1 48 GLU QB 1 51 ALA H . . 5.780 5.003 4.952 5.064 . 0 0 "[ . 1 . 2]" 1
1176 1 48 GLU QG 1 49 PHE H . . 5.160 4.271 4.230 4.309 . 0 0 "[ . 1 . 2]" 1
1177 1 49 PHE H 1 49 PHE HB2 . . 3.510 2.797 2.756 2.821 . 0 0 "[ . 1 . 2]" 1
1178 1 49 PHE H 1 49 PHE HB3 . . 3.270 2.142 2.112 2.165 . 0 0 "[ . 1 . 2]" 1
1179 1 49 PHE H 1 49 PHE QD . . 3.920 3.954 3.938 3.969 0.049 16 0 "[ . 1 . 2]" 1
1180 1 49 PHE H 1 50 VAL H . . 3.460 2.657 2.611 2.676 . 0 0 "[ . 1 . 2]" 1
1181 1 49 PHE H 1 50 VAL HB . . 5.130 4.823 4.756 4.868 . 0 0 "[ . 1 . 2]" 1
1182 1 49 PHE H 1 50 VAL MG2 . . 4.380 4.191 4.154 4.223 . 0 0 "[ . 1 . 2]" 1
1183 1 49 PHE H 1 51 ALA H . . 4.680 4.245 4.206 4.289 . 0 0 "[ . 1 . 2]" 1
1184 1 49 PHE H 1 51 ALA MB . . 5.450 4.880 4.846 4.918 . 0 0 "[ . 1 . 2]" 1
1185 1 49 PHE H 1 52 ALA H . . 5.470 4.840 4.752 4.895 . 0 0 "[ . 1 . 2]" 1
1186 1 49 PHE H 1 52 ALA MB . . 5.230 4.862 4.755 4.960 . 0 0 "[ . 1 . 2]" 1
1187 1 49 PHE H 1 53 VAL MG2 . . 5.780 5.773 5.736 5.793 0.013 5 0 "[ . 1 . 2]" 1
1188 1 49 PHE H 1 66 LEU MD2 . . 5.780 5.748 5.659 5.792 0.012 3 0 "[ . 1 . 2]" 1
1189 1 49 PHE HA 1 49 PHE QD . . 3.320 2.878 2.817 2.975 . 0 0 "[ . 1 . 2]" 1
1190 1 49 PHE HA 1 51 ALA H . . 5.180 4.521 4.457 4.577 . 0 0 "[ . 1 . 2]" 1
1191 1 49 PHE HA 1 52 ALA H . . 4.190 3.382 3.265 3.437 . 0 0 "[ . 1 . 2]" 1
1192 1 49 PHE HA 1 52 ALA MB . . 3.820 2.632 2.501 2.735 . 0 0 "[ . 1 . 2]" 1
1193 1 49 PHE HA 1 53 VAL H . . 5.100 4.068 3.994 4.127 . 0 0 "[ . 1 . 2]" 1
1194 1 49 PHE HA 1 53 VAL MG2 . . 5.160 4.027 4.000 4.053 . 0 0 "[ . 1 . 2]" 1
1195 1 49 PHE HB2 1 50 VAL H . . 4.540 4.089 4.061 4.126 . 0 0 "[ . 1 . 2]" 1
1196 1 49 PHE HB2 1 52 ALA MB . . 5.530 4.576 4.420 4.683 . 0 0 "[ . 1 . 2]" 1
1197 1 49 PHE HB2 1 66 LEU MD1 . . 5.260 4.770 4.680 5.082 . 0 0 "[ . 1 . 2]" 1
1198 1 49 PHE HB3 1 50 VAL H . . 4.130 2.801 2.758 2.861 . 0 0 "[ . 1 . 2]" 1
1199 1 49 PHE HB3 1 66 LEU MD1 . . 5.060 3.752 3.655 4.115 . 0 0 "[ . 1 . 2]" 1
1200 1 49 PHE QD 1 50 VAL H . . 4.090 3.094 2.893 3.156 . 0 0 "[ . 1 . 2]" 1
1201 1 49 PHE QD 1 50 VAL MG1 . . 4.830 4.780 4.601 4.833 0.003 7 0 "[ . 1 . 2]" 1
1202 1 49 PHE QD 1 50 VAL MG2 . . 4.140 2.273 2.119 2.323 . 0 0 "[ . 1 . 2]" 1
1203 1 49 PHE QD 1 52 ALA MB . . 4.290 3.842 3.755 4.056 . 0 0 "[ . 1 . 2]" 1
1204 1 49 PHE QD 1 53 VAL MG2 . . 3.600 3.221 3.157 3.291 . 0 0 "[ . 1 . 2]" 1
1205 1 49 PHE QD 1 66 LEU HB2 . . 5.450 5.118 4.372 5.279 . 0 0 "[ . 1 . 2]" 1
1206 1 49 PHE QD 1 66 LEU MD1 . . 3.720 2.521 2.310 3.514 . 0 0 "[ . 1 . 2]" 1
1207 1 49 PHE QD 1 66 LEU MD2 . . 3.790 2.395 2.313 2.486 . 0 0 "[ . 1 . 2]" 1
1208 1 49 PHE QD 1 66 LEU HG . . 3.940 2.947 2.614 3.086 . 0 0 "[ . 1 . 2]" 1
1209 1 49 PHE QD 1 75 PHE QD . . 5.780 5.179 5.049 5.259 . 0 0 "[ . 1 . 2]" 1
1210 1 49 PHE QE 1 50 VAL H . . 5.150 5.013 4.877 5.047 . 0 0 "[ . 1 . 2]" 1
1211 1 49 PHE QE 1 50 VAL HA . . 5.370 4.350 4.049 4.455 . 0 0 "[ . 1 . 2]" 1
1212 1 49 PHE QE 1 50 VAL MG1 . . 5.120 5.112 4.855 5.145 0.025 7 0 "[ . 1 . 2]" 1
1213 1 49 PHE QE 1 52 ALA MB . . 5.670 5.031 4.980 5.151 . 0 0 "[ . 1 . 2]" 1
1214 1 49 PHE QE 1 53 VAL MG2 . . 3.800 2.715 2.662 2.777 . 0 0 "[ . 1 . 2]" 1
1215 1 49 PHE QE 1 61 VAL MG1 . . 5.780 5.278 5.014 5.479 . 0 0 "[ . 1 . 2]" 1
1216 1 49 PHE QE 1 66 LEU HA . . 5.610 5.168 5.002 5.232 . 0 0 "[ . 1 . 2]" 1
1217 1 49 PHE QE 1 66 LEU MD1 . . 4.640 3.017 2.675 4.083 . 0 0 "[ . 1 . 2]" 1
1218 1 49 PHE QE 1 66 LEU MD2 . . 4.240 2.086 2.031 2.129 . 0 0 "[ . 1 . 2]" 1
1219 1 49 PHE QE 1 75 PHE QD . . 3.930 3.114 2.860 3.293 . 0 0 "[ . 1 . 2]" 1
1220 1 49 PHE QE 1 75 PHE QE . . 4.020 2.840 2.649 3.015 . 0 0 "[ . 1 . 2]" 1
1221 1 49 PHE HZ 1 53 VAL MG2 . . 3.950 2.777 2.658 2.857 . 0 0 "[ . 1 . 2]" 1
1222 1 49 PHE HZ 1 66 LEU MD1 . . 5.510 4.792 4.555 5.540 0.030 5 0 "[ . 1 . 2]" 1
1223 1 49 PHE HZ 1 66 LEU MD2 . . 5.200 4.202 3.765 4.291 . 0 0 "[ . 1 . 2]" 1
1224 1 49 PHE HZ 1 75 PHE QD . . 3.980 2.504 2.357 2.608 . 0 0 "[ . 1 . 2]" 1
1225 1 49 PHE HZ 1 76 ALA HA . . 5.780 5.743 5.534 5.791 0.011 10 0 "[ . 1 . 2]" 1
1226 1 50 VAL H 1 50 VAL HB . . 3.140 2.457 2.434 2.500 . 0 0 "[ . 1 . 2]" 1
1227 1 50 VAL H 1 50 VAL MG1 . . 3.960 3.794 3.778 3.811 . 0 0 "[ . 1 . 2]" 1
1228 1 50 VAL H 1 50 VAL MG2 . . 3.110 2.201 2.190 2.224 . 0 0 "[ . 1 . 2]" 1
1229 1 50 VAL H 1 51 ALA H . . 3.350 2.766 2.734 2.799 . 0 0 "[ . 1 . 2]" 1
1230 1 50 VAL H 1 51 ALA MB . . 4.620 4.378 4.356 4.405 . 0 0 "[ . 1 . 2]" 1
1231 1 50 VAL H 1 52 ALA H . . 4.680 4.153 4.080 4.188 . 0 0 "[ . 1 . 2]" 1
1232 1 50 VAL H 1 53 VAL MG2 . . 4.730 4.536 4.482 4.566 . 0 0 "[ . 1 . 2]" 1
1233 1 50 VAL H 1 63 ALA MB . . 5.110 4.942 4.804 4.990 . 0 0 "[ . 1 . 2]" 1
1234 1 50 VAL HA 1 50 VAL MG1 . . 3.540 2.441 2.419 2.472 . 0 0 "[ . 1 . 2]" 1
1235 1 50 VAL HA 1 50 VAL MG2 . . 3.350 2.318 2.284 2.342 . 0 0 "[ . 1 . 2]" 1
1236 1 50 VAL HA 1 52 ALA H . . 4.580 4.274 4.240 4.308 . 0 0 "[ . 1 . 2]" 1
1237 1 50 VAL HA 1 52 ALA MB . . 5.780 4.906 4.880 4.939 . 0 0 "[ . 1 . 2]" 1
1238 1 50 VAL HA 1 53 VAL H . . 3.770 3.214 3.170 3.246 . 0 0 "[ . 1 . 2]" 1
1239 1 50 VAL HA 1 53 VAL HB . . 3.720 2.296 2.211 2.391 . 0 0 "[ . 1 . 2]" 1
1240 1 50 VAL HA 1 53 VAL MG1 . . 4.400 3.630 3.501 3.759 . 0 0 "[ . 1 . 2]" 1
1241 1 50 VAL HA 1 53 VAL MG2 . . 3.870 2.955 2.932 2.983 . 0 0 "[ . 1 . 2]" 1
1242 1 50 VAL HA 1 54 ASN H . . 4.940 3.964 3.931 4.026 . 0 0 "[ . 1 . 2]" 1
1243 1 50 VAL HA 1 61 VAL MG1 . . 4.810 3.906 3.783 4.080 . 0 0 "[ . 1 . 2]" 1
1244 1 50 VAL HA 1 63 ALA MB . . 5.780 5.728 5.669 5.778 . 0 0 "[ . 1 . 2]" 1
1245 1 50 VAL HA 1 75 PHE QE . . 4.870 4.428 4.153 4.559 . 0 0 "[ . 1 . 2]" 1
1246 1 50 VAL HA 1 75 PHE HZ . . 4.570 3.877 3.794 3.994 . 0 0 "[ . 1 . 2]" 1
1247 1 50 VAL HB 1 51 ALA H . . 3.540 2.839 2.786 2.885 . 0 0 "[ . 1 . 2]" 1
1248 1 50 VAL HB 1 54 ASN HD21 . . 5.780 4.564 4.513 4.630 . 0 0 "[ . 1 . 2]" 1
1249 1 50 VAL MG1 1 51 ALA H . . 3.930 3.523 3.467 3.584 . 0 0 "[ . 1 . 2]" 1
1250 1 50 VAL MG1 1 51 ALA HA . . 4.940 3.770 3.714 3.831 . 0 0 "[ . 1 . 2]" 1
1251 1 50 VAL MG1 1 52 ALA H . . 5.440 5.152 5.113 5.196 . 0 0 "[ . 1 . 2]" 1
1252 1 50 VAL MG1 1 53 VAL H . . 4.940 4.704 4.666 4.740 . 0 0 "[ . 1 . 2]" 1
1253 1 50 VAL MG1 1 53 VAL MG2 . . 4.260 4.265 4.253 4.277 0.017 4 0 "[ . 1 . 2]" 1
1254 1 50 VAL MG1 1 54 ASN H . . 4.730 4.039 3.984 4.129 . 0 0 "[ . 1 . 2]" 1
1255 1 50 VAL MG1 1 54 ASN HD21 . . 3.680 2.356 2.301 2.447 . 0 0 "[ . 1 . 2]" 1
1256 1 50 VAL MG1 1 54 ASN HD22 . . 3.940 2.494 2.442 2.544 . 0 0 "[ . 1 . 2]" 1
1257 1 50 VAL MG1 1 62 LYS H . . 5.190 4.320 4.132 4.417 . 0 0 "[ . 1 . 2]" 1
1258 1 50 VAL MG1 1 62 LYS HA . . 4.530 3.100 2.834 3.280 . 0 0 "[ . 1 . 2]" 1
1259 1 50 VAL MG1 1 63 ALA H . . 4.290 3.239 3.129 3.310 . 0 0 "[ . 1 . 2]" 1
1260 1 50 VAL MG1 1 63 ALA HA . . 3.870 2.622 2.521 2.906 . 0 0 "[ . 1 . 2]" 1
1261 1 50 VAL MG1 1 63 ALA MB . . 3.940 3.147 3.025 3.335 . 0 0 "[ . 1 . 2]" 1
1262 1 50 VAL MG1 1 65 ALA H . . 5.010 4.606 4.540 4.662 . 0 0 "[ . 1 . 2]" 1
1263 1 50 VAL MG1 1 65 ALA MB . . 4.600 3.916 3.866 3.987 . 0 0 "[ . 1 . 2]" 1
1264 1 50 VAL MG1 1 66 LEU H . . 5.410 4.947 4.739 5.029 . 0 0 "[ . 1 . 2]" 1
1265 1 50 VAL MG1 1 66 LEU HB2 . . 5.190 5.124 4.455 5.212 0.022 3 0 "[ . 1 . 2]" 1
1266 1 50 VAL MG1 1 66 LEU HG . . 5.270 4.793 4.707 5.093 . 0 0 "[ . 1 . 2]" 1
1267 1 50 VAL MG1 1 75 PHE QE . . 4.600 4.046 3.972 4.126 . 0 0 "[ . 1 . 2]" 1
1268 1 50 VAL MG1 1 75 PHE HZ . . 4.090 3.541 3.295 3.702 . 0 0 "[ . 1 . 2]" 1
1269 1 50 VAL MG2 1 51 ALA H . . 4.020 4.040 4.025 4.047 0.027 3 0 "[ . 1 . 2]" 1
1270 1 50 VAL MG2 1 53 VAL MG2 . . 4.290 3.725 3.673 3.779 . 0 0 "[ . 1 . 2]" 1
1271 1 50 VAL MG2 1 63 ALA H . . 4.550 4.341 4.209 4.428 . 0 0 "[ . 1 . 2]" 1
1272 1 50 VAL MG2 1 63 ALA HA . . 3.360 2.164 2.110 2.197 . 0 0 "[ . 1 . 2]" 1
1273 1 50 VAL MG2 1 63 ALA MB . . 3.600 3.093 2.990 3.176 . 0 0 "[ . 1 . 2]" 1
1274 1 50 VAL MG2 1 64 THR H . . 5.760 5.162 5.067 5.209 . 0 0 "[ . 1 . 2]" 1
1275 1 50 VAL MG2 1 65 ALA H . . 5.020 4.495 4.443 4.544 . 0 0 "[ . 1 . 2]" 1
1276 1 50 VAL MG2 1 66 LEU H . . 4.180 3.702 3.494 3.799 . 0 0 "[ . 1 . 2]" 1
1277 1 50 VAL MG2 1 66 LEU HG . . 3.580 2.390 2.325 2.545 . 0 0 "[ . 1 . 2]" 1
1278 1 50 VAL MG2 1 67 TYR H . . 5.750 5.695 5.448 5.813 0.063 20 0 "[ . 1 . 2]" 1
1279 1 50 VAL MG2 1 75 PHE HZ . . 4.820 3.255 3.053 3.396 . 0 0 "[ . 1 . 2]" 1
1280 1 51 ALA H 1 51 ALA MB . . 2.770 2.210 2.194 2.220 . 0 0 "[ . 1 . 2]" 1
1281 1 51 ALA H 1 52 ALA H . . 3.240 2.793 2.752 2.815 . 0 0 "[ . 1 . 2]" 1
1282 1 51 ALA H 1 52 ALA HA . . 5.780 5.445 5.412 5.466 . 0 0 "[ . 1 . 2]" 1
1283 1 51 ALA H 1 53 VAL H . . 4.510 4.237 4.183 4.281 . 0 0 "[ . 1 . 2]" 1
1284 1 51 ALA H 1 63 ALA MB . . 5.320 5.331 5.320 5.343 0.023 1 0 "[ . 1 . 2]" 1
1285 1 51 ALA HA 1 54 ASN H . . 3.790 3.622 3.566 3.692 . 0 0 "[ . 1 . 2]" 1
1286 1 51 ALA HA 1 54 ASN HB2 . . 4.080 2.975 2.913 3.010 . 0 0 "[ . 1 . 2]" 1
1287 1 51 ALA HA 1 54 ASN HB3 . . 4.610 4.599 4.511 4.624 0.014 2 0 "[ . 1 . 2]" 1
1288 1 51 ALA HA 1 54 ASN HD21 . . 4.160 3.397 3.327 3.500 . 0 0 "[ . 1 . 2]" 1
1289 1 51 ALA MB 1 52 ALA H . . 3.210 2.685 2.648 2.723 . 0 0 "[ . 1 . 2]" 1
1290 1 51 ALA MB 1 54 ASN H . . 5.460 4.825 4.776 4.873 . 0 0 "[ . 1 . 2]" 1
1291 1 51 ALA MB 1 54 ASN HD21 . . 5.700 4.800 4.749 4.875 . 0 0 "[ . 1 . 2]" 1
1292 1 52 ALA H 1 52 ALA MB . . 2.850 2.225 2.215 2.235 . 0 0 "[ . 1 . 2]" 1
1293 1 52 ALA H 1 53 VAL H . . 3.180 2.621 2.588 2.645 . 0 0 "[ . 1 . 2]" 1
1294 1 52 ALA H 1 53 VAL HA . . 5.670 5.310 5.292 5.326 . 0 0 "[ . 1 . 2]" 1
1295 1 52 ALA H 1 53 VAL HB . . 5.380 4.587 4.516 4.660 . 0 0 "[ . 1 . 2]" 1
1296 1 52 ALA H 1 53 VAL MG2 . . 4.350 4.350 4.321 4.363 0.013 16 0 "[ . 1 . 2]" 1
1297 1 52 ALA H 1 54 ASN H . . 4.270 4.271 4.232 4.292 0.022 17 0 "[ . 1 . 2]" 1
1298 1 52 ALA H 1 55 ALA MB . . 5.490 5.046 4.919 5.204 . 0 0 "[ . 1 . 2]" 1
1299 1 52 ALA HA 1 53 VAL MG2 . . 5.160 5.170 5.147 5.181 0.021 17 0 "[ . 1 . 2]" 1
1300 1 52 ALA HA 1 54 ASN H . . 5.260 4.538 4.477 4.585 . 0 0 "[ . 1 . 2]" 1
1301 1 52 ALA HA 1 55 ALA MB . . 3.310 2.833 2.684 2.975 . 0 0 "[ . 1 . 2]" 1
1302 1 52 ALA MB 1 53 VAL H . . 3.300 2.671 2.624 2.743 . 0 0 "[ . 1 . 2]" 1
1303 1 52 ALA MB 1 53 VAL HA . . 5.020 4.093 4.063 4.144 . 0 0 "[ . 1 . 2]" 1
1304 1 52 ALA MB 1 53 VAL MG2 . . 4.090 3.421 3.373 3.472 . 0 0 "[ . 1 . 2]" 1
1305 1 52 ALA MB 1 54 ASN H . . 4.960 4.768 4.721 4.822 . 0 0 "[ . 1 . 2]" 1
1306 1 53 VAL H 1 53 VAL HB . . 3.080 2.338 2.290 2.396 . 0 0 "[ . 1 . 2]" 1
1307 1 53 VAL H 1 53 VAL MG1 . . 4.010 3.758 3.734 3.782 . 0 0 "[ . 1 . 2]" 1
1308 1 53 VAL H 1 53 VAL MG2 . . 3.040 2.340 2.299 2.387 . 0 0 "[ . 1 . 2]" 1
1309 1 53 VAL H 1 54 ASN H . . 3.370 2.853 2.805 2.872 . 0 0 "[ . 1 . 2]" 1
1310 1 53 VAL H 1 54 ASN HB2 . . 5.210 4.886 4.846 4.924 . 0 0 "[ . 1 . 2]" 1
1311 1 53 VAL H 1 55 ALA H . . 4.880 4.138 4.088 4.201 . 0 0 "[ . 1 . 2]" 1
1312 1 53 VAL H 1 55 ALA MB . . 5.380 4.932 4.837 5.025 . 0 0 "[ . 1 . 2]" 1
1313 1 53 VAL HA 1 53 VAL MG1 . . 3.590 2.593 2.556 2.624 . 0 0 "[ . 1 . 2]" 1
1314 1 53 VAL HA 1 53 VAL MG2 . . 3.310 2.310 2.273 2.335 . 0 0 "[ . 1 . 2]" 1
1315 1 53 VAL HA 1 55 ALA H . . 4.860 4.056 3.981 4.130 . 0 0 "[ . 1 . 2]" 1
1316 1 53 VAL HA 1 56 ALA H . . 4.150 3.343 3.195 3.519 . 0 0 "[ . 1 . 2]" 1
1317 1 53 VAL HA 1 56 ALA MB . . 4.040 2.723 2.466 3.012 . 0 0 "[ . 1 . 2]" 1
1318 1 53 VAL HA 1 57 TYR H . . 4.840 4.045 3.918 4.171 . 0 0 "[ . 1 . 2]" 1
1319 1 53 VAL HA 1 57 TYR QD . . 4.180 3.278 2.888 3.757 . 0 0 "[ . 1 . 2]" 1
1320 1 53 VAL HA 1 57 TYR QE . . 5.410 4.711 4.391 5.061 . 0 0 "[ . 1 . 2]" 1
1321 1 53 VAL HB 1 54 ASN H . . 3.390 2.667 2.604 2.749 . 0 0 "[ . 1 . 2]" 1
1322 1 53 VAL HB 1 54 ASN HD22 . . 5.780 4.581 4.470 4.688 . 0 0 "[ . 1 . 2]" 1
1323 1 53 VAL HB 1 55 ALA H . . 5.310 4.978 4.944 5.029 . 0 0 "[ . 1 . 2]" 1
1324 1 53 VAL HB 1 75 PHE QE . . 5.100 4.021 3.835 4.139 . 0 0 "[ . 1 . 2]" 1
1325 1 53 VAL HB 1 75 PHE HZ . . 5.130 3.674 3.478 3.854 . 0 0 "[ . 1 . 2]" 1
1326 1 53 VAL MG1 1 54 ASN H . . 3.970 3.139 3.083 3.230 . 0 0 "[ . 1 . 2]" 1
1327 1 53 VAL MG1 1 54 ASN HA . . 4.490 3.254 3.169 3.370 . 0 0 "[ . 1 . 2]" 1
1328 1 53 VAL MG1 1 54 ASN HD21 . . 4.480 3.763 3.609 3.965 . 0 0 "[ . 1 . 2]" 1
1329 1 53 VAL MG1 1 55 ALA H . . 4.990 4.733 4.683 4.815 . 0 0 "[ . 1 . 2]" 1
1330 1 53 VAL MG1 1 56 ALA H . . 5.230 4.456 4.395 4.549 . 0 0 "[ . 1 . 2]" 1
1331 1 53 VAL MG1 1 57 TYR H . . 4.470 3.867 3.723 3.954 . 0 0 "[ . 1 . 2]" 1
1332 1 53 VAL MG1 1 57 TYR QB . . 4.150 2.664 2.449 2.857 . 0 0 "[ . 1 . 2]" 1
1333 1 53 VAL MG1 1 57 TYR QD . . 3.140 2.436 2.355 2.490 . 0 0 "[ . 1 . 2]" 1
1334 1 53 VAL MG1 1 57 TYR QE . . 4.220 4.212 4.148 4.241 0.021 8 0 "[ . 1 . 2]" 1
1335 1 53 VAL MG1 1 59 VAL H . . 5.280 4.546 4.478 4.636 . 0 0 "[ . 1 . 2]" 1
1336 1 53 VAL MG1 1 75 PHE QD . . 5.370 4.501 4.388 4.613 . 0 0 "[ . 1 . 2]" 1
1337 1 53 VAL MG1 1 75 PHE QE . . 3.680 2.563 2.467 2.670 . 0 0 "[ . 1 . 2]" 1
1338 1 53 VAL MG1 1 75 PHE HZ . . 3.190 2.248 2.161 2.341 . 0 0 "[ . 1 . 2]" 1
1339 1 53 VAL MG1 1 79 ILE MD . . 3.130 1.943 1.920 1.965 . 0 0 "[ . 1 . 2]" 1
1340 1 53 VAL MG1 1 79 ILE MG . . 3.700 3.476 3.385 3.550 . 0 0 "[ . 1 . 2]" 1
1341 1 53 VAL MG2 1 54 ASN H . . 4.300 4.041 4.002 4.079 . 0 0 "[ . 1 . 2]" 1
1342 1 53 VAL MG2 1 55 ALA H . . 5.780 5.296 5.268 5.334 . 0 0 "[ . 1 . 2]" 1
1343 1 53 VAL MG2 1 57 TYR QD . . 4.550 3.569 3.425 3.768 . 0 0 "[ . 1 . 2]" 1
1344 1 53 VAL MG2 1 57 TYR QE . . 5.440 4.308 4.122 4.521 . 0 0 "[ . 1 . 2]" 1
1345 1 53 VAL MG2 1 75 PHE QD . . 4.180 4.038 3.985 4.076 . 0 0 "[ . 1 . 2]" 1
1346 1 53 VAL MG2 1 75 PHE QE . . 3.370 2.166 2.119 2.235 . 0 0 "[ . 1 . 2]" 1
1347 1 53 VAL MG2 1 75 PHE HZ . . 3.770 3.165 2.898 3.468 . 0 0 "[ . 1 . 2]" 1
1348 1 53 VAL MG2 1 79 ILE MD . . 4.380 3.003 2.915 3.081 . 0 0 "[ . 1 . 2]" 1
1349 1 54 ASN H 1 54 ASN HB2 . . 3.200 2.297 2.264 2.328 . 0 0 "[ . 1 . 2]" 1
1350 1 54 ASN H 1 54 ASN HB3 . . 3.730 3.558 3.542 3.581 . 0 0 "[ . 1 . 2]" 1
1351 1 54 ASN H 1 54 ASN HD21 . . 4.080 2.493 2.382 2.541 . 0 0 "[ . 1 . 2]" 1
1352 1 54 ASN H 1 54 ASN HD22 . . 4.940 3.984 3.942 4.046 . 0 0 "[ . 1 . 2]" 1
1353 1 54 ASN H 1 55 ALA H . . 3.320 2.787 2.754 2.836 . 0 0 "[ . 1 . 2]" 1
1354 1 54 ASN H 1 55 ALA MB . . 4.510 4.458 4.406 4.516 0.006 8 0 "[ . 1 . 2]" 1
1355 1 54 ASN H 1 56 ALA H . . 4.960 4.226 4.188 4.275 . 0 0 "[ . 1 . 2]" 1
1356 1 54 ASN H 1 61 VAL MG1 . . 5.170 4.298 4.137 4.487 . 0 0 "[ . 1 . 2]" 1
1357 1 54 ASN HA 1 54 ASN HD21 . . 4.490 3.804 3.619 3.883 . 0 0 "[ . 1 . 2]" 1
1358 1 54 ASN HA 1 54 ASN HD22 . . 5.000 4.271 4.145 4.308 . 0 0 "[ . 1 . 2]" 1
1359 1 54 ASN HA 1 56 ALA H . . 5.010 4.024 3.824 4.296 . 0 0 "[ . 1 . 2]" 1
1360 1 54 ASN HA 1 57 TYR H . . 4.160 3.270 3.135 3.426 . 0 0 "[ . 1 . 2]" 1
1361 1 54 ASN HA 1 59 VAL H . . 4.440 3.671 3.559 3.841 . 0 0 "[ . 1 . 2]" 1
1362 1 54 ASN HA 1 59 VAL MG1 . . 5.080 5.082 5.018 5.101 0.021 17 0 "[ . 1 . 2]" 1
1363 1 54 ASN HA 1 59 VAL MG2 . . 5.190 3.267 3.148 3.479 . 0 0 "[ . 1 . 2]" 1
1364 1 54 ASN HA 1 60 GLY H . . 4.590 3.884 3.736 4.006 . 0 0 "[ . 1 . 2]" 1
1365 1 54 ASN HB2 1 54 ASN HD21 . . 3.480 2.369 2.334 2.445 . 0 0 "[ . 1 . 2]" 1
1366 1 54 ASN HB2 1 54 ASN HD22 . . 4.030 3.556 3.541 3.585 . 0 0 "[ . 1 . 2]" 1
1367 1 54 ASN HB2 1 55 ALA H . . 3.940 3.392 3.290 3.461 . 0 0 "[ . 1 . 2]" 1
1368 1 54 ASN HB3 1 55 ALA H . . 4.330 3.971 3.850 4.031 . 0 0 "[ . 1 . 2]" 1
1369 1 54 ASN HB3 1 60 GLY H . . 5.570 4.271 4.194 4.421 . 0 0 "[ . 1 . 2]" 1
1370 1 54 ASN HD21 1 61 VAL H . . 4.260 4.272 4.255 4.289 0.029 7 0 "[ . 1 . 2]" 1
1371 1 54 ASN HD21 1 61 VAL HB . . 5.780 5.819 5.808 5.832 0.052 16 0 "[ . 1 . 2]" 1
1372 1 54 ASN HD21 1 61 VAL MG1 . . 4.410 3.162 3.133 3.228 . 0 0 "[ . 1 . 2]" 1
1373 1 54 ASN HD22 1 59 VAL MG2 . . 4.170 3.663 3.558 3.786 . 0 0 "[ . 1 . 2]" 1
1374 1 54 ASN HD22 1 60 GLY H . . 5.100 4.556 4.458 4.641 . 0 0 "[ . 1 . 2]" 1
1375 1 54 ASN HD22 1 60 GLY QA . . 4.990 4.224 4.155 4.298 . 0 0 "[ . 1 . 2]" 1
1376 1 54 ASN HD22 1 61 VAL H . . 3.370 2.780 2.753 2.879 . 0 0 "[ . 1 . 2]" 1
1377 1 54 ASN HD22 1 61 VAL HA . . 4.710 4.344 4.318 4.382 . 0 0 "[ . 1 . 2]" 1
1378 1 54 ASN HD22 1 61 VAL HB . . 4.640 4.373 4.328 4.482 . 0 0 "[ . 1 . 2]" 1
1379 1 54 ASN HD22 1 61 VAL MG1 . . 4.200 2.279 2.206 2.427 . 0 0 "[ . 1 . 2]" 1
1380 1 54 ASN HD22 1 61 VAL MG2 . . 4.800 4.204 4.125 4.319 . 0 0 "[ . 1 . 2]" 1
1381 1 55 ALA H 1 55 ALA MB . . 2.870 2.257 2.219 2.278 . 0 0 "[ . 1 . 2]" 1
1382 1 55 ALA H 1 56 ALA H . . 3.180 2.435 2.378 2.533 . 0 0 "[ . 1 . 2]" 1
1383 1 55 ALA H 1 56 ALA MB . . 4.670 4.108 4.050 4.203 . 0 0 "[ . 1 . 2]" 1
1384 1 55 ALA H 1 57 TYR H . . 4.350 3.951 3.905 4.002 . 0 0 "[ . 1 . 2]" 1
1385 1 55 ALA MB 1 56 ALA H . . 3.240 2.916 2.803 3.008 . 0 0 "[ . 1 . 2]" 1
1386 1 55 ALA MB 1 56 ALA HA . . 4.990 4.139 4.084 4.222 . 0 0 "[ . 1 . 2]" 1
1387 1 55 ALA MB 1 57 TYR H . . 4.670 4.682 4.669 4.696 0.026 3 0 "[ . 1 . 2]" 1
1388 1 56 ALA H 1 56 ALA MB . . 2.890 2.264 2.223 2.337 . 0 0 "[ . 1 . 2]" 1
1389 1 56 ALA H 1 57 TYR H . . 2.960 2.310 2.124 2.533 . 0 0 "[ . 1 . 2]" 1
1390 1 56 ALA H 1 57 TYR HA . . 5.540 5.087 4.942 5.253 . 0 0 "[ . 1 . 2]" 1
1391 1 56 ALA H 1 57 TYR QB . . 4.700 4.428 4.176 4.705 0.005 18 0 "[ . 1 . 2]" 1
1392 1 56 ALA H 1 57 TYR QD . . 5.040 4.464 4.038 5.018 . 0 0 "[ . 1 . 2]" 1
1393 1 56 ALA MB 1 57 TYR H . . 3.390 2.864 2.761 2.956 . 0 0 "[ . 1 . 2]" 1
1394 1 56 ALA MB 1 57 TYR HA . . 4.920 4.301 4.257 4.335 . 0 0 "[ . 1 . 2]" 1
1395 1 56 ALA MB 1 57 TYR QB . . 4.950 3.768 3.687 3.860 . 0 0 "[ . 1 . 2]" 1
1396 1 56 ALA MB 1 57 TYR QD . . 3.680 2.793 2.545 3.212 . 0 0 "[ . 1 . 2]" 1
1397 1 56 ALA MB 1 57 TYR QE . . 3.940 3.323 3.115 3.662 . 0 0 "[ . 1 . 2]" 1
1398 1 57 TYR H 1 57 TYR QB . . 3.500 2.618 2.543 2.666 . 0 0 "[ . 1 . 2]" 1
1399 1 57 TYR H 1 57 TYR QD . . 3.860 3.492 3.298 3.772 . 0 0 "[ . 1 . 2]" 1
1400 1 57 TYR H 1 57 TYR QE . . 5.700 5.301 5.190 5.445 . 0 0 "[ . 1 . 2]" 1
1401 1 57 TYR H 1 58 PRO QD . . 3.920 3.985 3.961 4.009 0.089 18 0 "[ . 1 . 2]" 1
1402 1 57 TYR H 1 59 VAL MG1 . . 5.780 5.155 5.052 5.232 . 0 0 "[ . 1 . 2]" 1
1403 1 57 TYR H 1 79 ILE MG . . 5.450 5.294 5.134 5.405 . 0 0 "[ . 1 . 2]" 1
1404 1 57 TYR H 1 83 LEU MD1 . . 5.780 5.658 5.471 5.784 0.004 13 0 "[ . 1 . 2]" 1
1405 1 57 TYR HA 1 57 TYR QD . . 3.460 2.495 2.279 2.663 . 0 0 "[ . 1 . 2]" 1
1406 1 57 TYR HA 1 57 TYR QE . . 5.080 4.488 4.426 4.537 . 0 0 "[ . 1 . 2]" 1
1407 1 57 TYR HA 1 58 PRO QD . . 3.210 2.015 1.989 2.042 . 0 0 "[ . 1 . 2]" 1
1408 1 57 TYR HA 1 59 VAL MG1 . . 4.710 4.166 3.933 4.369 . 0 0 "[ . 1 . 2]" 1
1409 1 57 TYR HA 1 83 LEU MD1 . . 4.450 3.602 3.368 3.822 . 0 0 "[ . 1 . 2]" 1
1410 1 57 TYR QB 1 58 PRO QD . . 4.030 3.158 3.015 3.303 . 0 0 "[ . 1 . 2]" 1
1411 1 57 TYR QB 1 59 VAL H . . 4.460 3.217 3.119 3.334 . 0 0 "[ . 1 . 2]" 1
1412 1 57 TYR QB 1 59 VAL MG1 . . 3.850 2.321 2.189 2.505 . 0 0 "[ . 1 . 2]" 1
1413 1 57 TYR QB 1 59 VAL MG2 . . 4.130 2.660 2.519 2.811 . 0 0 "[ . 1 . 2]" 1
1414 1 57 TYR QB 1 79 ILE MD . . 5.070 3.143 2.892 3.378 . 0 0 "[ . 1 . 2]" 1
1415 1 57 TYR QB 1 79 ILE MG . . 4.150 2.411 2.290 2.573 . 0 0 "[ . 1 . 2]" 1
1416 1 57 TYR QB 1 83 LEU MD1 . . 4.060 2.690 2.432 2.961 . 0 0 "[ . 1 . 2]" 1
1417 1 57 TYR QB 1 83 LEU MD2 . . 4.180 3.410 2.807 3.879 . 0 0 "[ . 1 . 2]" 1
1418 1 57 TYR QD 1 58 PRO QD . . 4.140 3.248 3.045 3.394 . 0 0 "[ . 1 . 2]" 1
1419 1 57 TYR QD 1 59 VAL MG1 . . 4.740 4.012 3.671 4.336 . 0 0 "[ . 1 . 2]" 1
1420 1 57 TYR QD 1 79 ILE MD . . 4.460 2.959 2.587 3.276 . 0 0 "[ . 1 . 2]" 1
1421 1 57 TYR QD 1 79 ILE MG . . 3.840 2.929 2.804 3.088 . 0 0 "[ . 1 . 2]" 1
1422 1 57 TYR QD 1 83 LEU MD1 . . 4.010 3.020 2.523 3.625 . 0 0 "[ . 1 . 2]" 1
1423 1 57 TYR QD 1 83 LEU MD2 . . 3.430 2.148 2.099 2.305 . 0 0 "[ . 1 . 2]" 1
1424 1 57 TYR QE 1 79 ILE MD . . 4.880 3.927 3.725 4.086 . 0 0 "[ . 1 . 2]" 1
1425 1 57 TYR QE 1 79 ILE MG . . 4.490 3.613 3.480 3.764 . 0 0 "[ . 1 . 2]" 1
1426 1 57 TYR QE 1 83 LEU MD1 . . 5.110 4.597 4.118 5.108 . 0 0 "[ . 1 . 2]" 1
1427 1 57 TYR QE 1 83 LEU MD2 . . 4.620 2.969 2.532 3.296 . 0 0 "[ . 1 . 2]" 1
1428 1 58 PRO HA 1 59 VAL H . . 3.210 2.754 2.685 2.841 . 0 0 "[ . 1 . 2]" 1
1429 1 58 PRO HA 1 59 VAL MG1 . . 5.210 4.642 4.548 4.711 . 0 0 "[ . 1 . 2]" 1
1430 1 58 PRO HA 1 59 VAL MG2 . . 4.790 4.243 4.162 4.393 . 0 0 "[ . 1 . 2]" 1
1431 1 58 PRO HA 1 60 GLY H . . 4.080 3.626 3.536 3.704 . 0 0 "[ . 1 . 2]" 1
1432 1 58 PRO HB2 1 83 LEU MD1 . . 5.220 5.210 5.086 5.244 0.024 16 0 "[ . 1 . 2]" 1
1433 1 58 PRO HB3 1 59 VAL H . . 4.900 4.688 4.664 4.705 . 0 0 "[ . 1 . 2]" 1
1434 1 58 PRO QD 1 59 VAL H . . 5.260 3.877 3.764 3.968 . 0 0 "[ . 1 . 2]" 1
1435 1 58 PRO QD 1 83 LEU MD1 . . 3.540 2.610 2.422 2.840 . 0 0 "[ . 1 . 2]" 1
1436 1 58 PRO QD 1 83 LEU MD2 . . 4.840 3.143 2.656 3.540 . 0 0 "[ . 1 . 2]" 1
1437 1 58 PRO HG2 1 83 LEU MD1 . . 3.970 3.474 3.367 3.610 . 0 0 "[ . 1 . 2]" 1
1438 1 58 PRO HG3 1 83 LEU MD1 . . 5.370 4.620 4.447 4.826 . 0 0 "[ . 1 . 2]" 1
1439 1 58 PRO HG3 1 83 LEU MD2 . . 5.780 5.136 4.618 5.612 . 0 0 "[ . 1 . 2]" 1
1440 1 59 VAL H 1 59 VAL HB . . 4.040 3.645 3.628 3.661 . 0 0 "[ . 1 . 2]" 1
1441 1 59 VAL H 1 59 VAL MG1 . . 3.170 2.488 2.350 2.565 . 0 0 "[ . 1 . 2]" 1
1442 1 59 VAL H 1 59 VAL MG2 . . 3.570 1.983 1.946 2.057 . 0 0 "[ . 1 . 2]" 1
1443 1 59 VAL H 1 60 GLY H . . 3.130 2.548 2.516 2.592 . 0 0 "[ . 1 . 2]" 1
1444 1 59 VAL H 1 60 GLY QA . . 4.820 4.474 4.445 4.506 . 0 0 "[ . 1 . 2]" 1
1445 1 59 VAL H 1 61 VAL H . . 4.920 4.245 4.186 4.316 . 0 0 "[ . 1 . 2]" 1
1446 1 59 VAL HA 1 59 VAL MG2 . . 3.510 3.267 3.260 3.276 . 0 0 "[ . 1 . 2]" 1
1447 1 59 VAL HA 1 60 GLY H . . 3.750 3.509 3.481 3.524 . 0 0 "[ . 1 . 2]" 1
1448 1 59 VAL HA 1 60 GLY QA . . 5.330 4.390 4.362 4.413 . 0 0 "[ . 1 . 2]" 1
1449 1 59 VAL HA 1 82 SER HB2 . . 5.780 4.451 4.212 4.946 . 0 0 "[ . 1 . 2]" 1
1450 1 59 VAL HA 1 83 LEU MD1 . . 4.000 3.698 3.530 4.002 0.002 17 0 "[ . 1 . 2]" 1
1451 1 59 VAL HB 1 60 GLY H . . 4.360 3.882 3.793 4.007 . 0 0 "[ . 1 . 2]" 1
1452 1 59 VAL HB 1 79 ILE MG . . 4.710 4.317 4.285 4.360 . 0 0 "[ . 1 . 2]" 1
1453 1 59 VAL HB 1 82 SER HB2 . . 5.120 3.711 3.604 3.858 . 0 0 "[ . 1 . 2]" 1
1454 1 59 VAL HB 1 82 SER HB3 . . 5.240 3.546 3.352 3.658 . 0 0 "[ . 1 . 2]" 1
1455 1 59 VAL MG1 1 60 GLY H . . 4.120 4.150 4.126 4.164 0.044 11 0 "[ . 1 . 2]" 1
1456 1 59 VAL MG1 1 75 PHE HZ . . 5.780 5.812 5.788 5.837 0.057 17 0 "[ . 1 . 2]" 1
1457 1 59 VAL MG1 1 78 HIS HD2 . . 5.550 4.689 4.539 4.833 . 0 0 "[ . 1 . 2]" 1
1458 1 59 VAL MG1 1 79 ILE H . . 5.780 4.579 4.502 4.684 . 0 0 "[ . 1 . 2]" 1
1459 1 59 VAL MG1 1 79 ILE HA . . 4.530 2.218 2.166 2.289 . 0 0 "[ . 1 . 2]" 1
1460 1 59 VAL MG1 1 79 ILE MD . . 3.680 3.660 3.596 3.694 0.014 7 0 "[ . 1 . 2]" 1
1461 1 59 VAL MG1 1 79 ILE MG . . 3.510 2.066 2.044 2.097 . 0 0 "[ . 1 . 2]" 1
1462 1 59 VAL MG1 1 82 SER HA . . 5.370 4.507 4.453 4.546 . 0 0 "[ . 1 . 2]" 1
1463 1 59 VAL MG1 1 82 SER HB3 . . 4.220 2.374 2.119 2.506 . 0 0 "[ . 1 . 2]" 1
1464 1 59 VAL MG1 1 83 LEU H . . 4.910 3.754 3.542 3.890 . 0 0 "[ . 1 . 2]" 1
1465 1 59 VAL MG1 1 83 LEU HA . . 5.570 4.437 4.188 4.578 . 0 0 "[ . 1 . 2]" 1
1466 1 59 VAL MG1 1 83 LEU QB . . 4.360 4.181 3.975 4.261 . 0 0 "[ . 1 . 2]" 1
1467 1 59 VAL MG1 1 83 LEU MD1 . . 3.550 2.053 1.969 2.164 . 0 0 "[ . 1 . 2]" 1
1468 1 59 VAL MG2 1 60 GLY H . . 3.870 2.434 2.366 2.553 . 0 0 "[ . 1 . 2]" 1
1469 1 59 VAL MG2 1 60 GLY QA . . 4.460 3.677 3.641 3.703 . 0 0 "[ . 1 . 2]" 1
1470 1 59 VAL MG2 1 61 VAL H . . 3.960 1.902 1.848 1.970 . 0 0 "[ . 1 . 2]" 1
1471 1 59 VAL MG2 1 61 VAL HA . . 5.190 3.931 3.800 4.017 . 0 0 "[ . 1 . 2]" 1
1472 1 59 VAL MG2 1 61 VAL HB . . 3.800 2.389 2.255 2.484 . 0 0 "[ . 1 . 2]" 1
1473 1 59 VAL MG2 1 75 PHE QE . . 5.120 4.571 4.435 4.672 . 0 0 "[ . 1 . 2]" 1
1474 1 59 VAL MG2 1 79 ILE HA . . 5.120 3.696 3.495 3.847 . 0 0 "[ . 1 . 2]" 1
1475 1 59 VAL MG2 1 79 ILE MD . . 4.110 3.285 3.235 3.329 . 0 0 "[ . 1 . 2]" 1
1476 1 59 VAL MG2 1 79 ILE MG . . 3.690 3.067 3.022 3.103 . 0 0 "[ . 1 . 2]" 1
1477 1 59 VAL MG2 1 82 SER HB2 . . 4.740 4.583 4.471 4.761 0.021 5 0 "[ . 1 . 2]" 1
1478 1 59 VAL MG2 1 82 SER HB3 . . 4.840 4.700 4.257 4.859 0.019 10 0 "[ . 1 . 2]" 1
1479 1 60 GLY H 1 61 VAL H . . 3.490 2.554 2.523 2.597 . 0 0 "[ . 1 . 2]" 1
1480 1 60 GLY H 1 61 VAL MG1 . . 4.080 4.025 3.977 4.090 0.010 18 0 "[ . 1 . 2]" 1
1481 1 60 GLY H 1 61 VAL MG2 . . 5.780 5.795 5.779 5.806 0.026 18 0 "[ . 1 . 2]" 1
1482 1 60 GLY QA 1 61 VAL MG1 . . 5.220 4.423 4.352 4.496 . 0 0 "[ . 1 . 2]" 1
1483 1 61 VAL H 1 61 VAL HB . . 3.440 2.668 2.625 2.694 . 0 0 "[ . 1 . 2]" 1
1484 1 61 VAL H 1 61 VAL MG1 . . 3.340 2.213 2.159 2.275 . 0 0 "[ . 1 . 2]" 1
1485 1 61 VAL H 1 61 VAL MG2 . . 4.040 3.844 3.836 3.853 . 0 0 "[ . 1 . 2]" 1
1486 1 61 VAL H 1 62 LYS H . . 5.010 4.605 4.587 4.631 . 0 0 "[ . 1 . 2]" 1
1487 1 61 VAL HA 1 61 VAL MG1 . . 3.730 3.288 3.278 3.299 . 0 0 "[ . 1 . 2]" 1
1488 1 61 VAL HA 1 61 VAL MG2 . . 3.640 2.272 2.234 2.295 . 0 0 "[ . 1 . 2]" 1
1489 1 61 VAL HA 1 62 LYS H . . 2.810 2.153 2.119 2.189 . 0 0 "[ . 1 . 2]" 1
1490 1 61 VAL HA 1 62 LYS HB2 . . 5.100 4.525 4.407 4.691 . 0 0 "[ . 1 . 2]" 1
1491 1 61 VAL HA 1 62 LYS QG . . 5.230 3.695 3.524 4.824 . 0 0 "[ . 1 . 2]" 1
1492 1 61 VAL HA 1 65 ALA MB . . 4.970 4.551 4.434 4.674 . 0 0 "[ . 1 . 2]" 1
1493 1 61 VAL HB 1 62 LYS H . . 4.960 4.104 4.058 4.151 . 0 0 "[ . 1 . 2]" 1
1494 1 61 VAL HB 1 65 ALA MB . . 4.440 4.402 4.339 4.452 0.012 20 0 "[ . 1 . 2]" 1
1495 1 61 VAL HB 1 75 PHE HZ . . 5.520 4.724 4.661 4.781 . 0 0 "[ . 1 . 2]" 1
1496 1 61 VAL HB 1 78 HIS HD2 . . 4.500 4.139 3.952 4.384 . 0 0 "[ . 1 . 2]" 1
1497 1 61 VAL HB 1 79 ILE MD . . 5.060 5.080 5.067 5.097 0.037 18 0 "[ . 1 . 2]" 1
1498 1 61 VAL MG1 1 62 LYS H . . 4.060 3.898 3.749 3.989 . 0 0 "[ . 1 . 2]" 1
1499 1 61 VAL MG1 1 65 ALA H . . 5.250 5.145 4.938 5.250 0.000 13 0 "[ . 1 . 2]" 1
1500 1 61 VAL MG1 1 65 ALA MB . . 3.460 3.418 3.252 3.476 0.016 13 0 "[ . 1 . 2]" 1
1501 1 61 VAL MG1 1 75 PHE QD . . 4.870 4.582 4.414 4.669 . 0 0 "[ . 1 . 2]" 1
1502 1 61 VAL MG1 1 75 PHE QE . . 3.640 2.741 2.514 2.865 . 0 0 "[ . 1 . 2]" 1
1503 1 61 VAL MG1 1 75 PHE HZ . . 3.530 2.282 2.216 2.343 . 0 0 "[ . 1 . 2]" 1
1504 1 61 VAL MG1 1 78 HIS HD2 . . 3.550 3.565 3.545 3.580 0.030 14 0 "[ . 1 . 2]" 1
1505 1 61 VAL MG1 1 78 HIS HE1 . . 5.150 5.162 5.151 5.175 0.025 7 0 "[ . 1 . 2]" 1
1506 1 61 VAL MG1 1 79 ILE MD . . 3.590 3.271 3.223 3.333 . 0 0 "[ . 1 . 2]" 1
1507 1 61 VAL MG1 1 79 ILE MG . . 4.500 4.537 4.519 4.549 0.049 12 0 "[ . 1 . 2]" 1
1508 1 61 VAL MG2 1 62 LYS H . . 3.910 2.412 2.280 2.489 . 0 0 "[ . 1 . 2]" 1
1509 1 61 VAL MG2 1 63 ALA HA . . 5.780 4.708 4.593 4.919 . 0 0 "[ . 1 . 2]" 1
1510 1 61 VAL MG2 1 64 THR H . . 5.620 4.940 4.815 5.024 . 0 0 "[ . 1 . 2]" 1
1511 1 61 VAL MG2 1 65 ALA H . . 4.660 3.456 3.397 3.485 . 0 0 "[ . 1 . 2]" 1
1512 1 61 VAL MG2 1 65 ALA MB . . 3.630 2.064 2.020 2.100 . 0 0 "[ . 1 . 2]" 1
1513 1 61 VAL MG2 1 75 PHE QD . . 4.140 3.922 3.844 3.973 . 0 0 "[ . 1 . 2]" 1
1514 1 61 VAL MG2 1 75 PHE QE . . 3.780 2.251 2.166 2.336 . 0 0 "[ . 1 . 2]" 1
1515 1 61 VAL MG2 1 75 PHE HZ . . 3.840 3.499 3.415 3.620 . 0 0 "[ . 1 . 2]" 1
1516 1 61 VAL MG2 1 78 HIS HD2 . . 4.750 2.831 2.701 3.003 . 0 0 "[ . 1 . 2]" 1
1517 1 61 VAL MG2 1 78 HIS HE1 . . 4.690 3.563 3.470 3.643 . 0 0 "[ . 1 . 2]" 1
1518 1 61 VAL MG2 1 79 ILE H . . 5.780 5.313 5.215 5.435 . 0 0 "[ . 1 . 2]" 1
1519 1 62 LYS H 1 62 LYS HB2 . . 3.460 2.466 2.384 2.592 . 0 0 "[ . 1 . 2]" 1
1520 1 62 LYS H 1 62 LYS HB3 . . 3.830 3.656 3.621 3.700 . 0 0 "[ . 1 . 2]" 1
1521 1 62 LYS H 1 62 LYS QD . . 4.990 3.820 2.422 4.423 . 0 0 "[ . 1 . 2]" 1
1522 1 62 LYS H 1 62 LYS HG2 . . 4.300 3.407 2.419 4.188 . 0 0 "[ . 1 . 2]" 1
1523 1 62 LYS H 1 62 LYS HG3 . . 4.300 3.083 2.519 4.005 . 0 0 "[ . 1 . 2]" 1
1524 1 62 LYS H 1 63 ALA H . . 4.910 4.608 4.571 4.635 . 0 0 "[ . 1 . 2]" 1
1525 1 62 LYS H 1 65 ALA H . . 5.200 4.323 4.172 4.436 . 0 0 "[ . 1 . 2]" 1
1526 1 62 LYS H 1 65 ALA MB . . 4.380 3.852 3.720 4.012 . 0 0 "[ . 1 . 2]" 1
1527 1 62 LYS HA 1 62 LYS QD . . 4.940 3.398 2.179 4.012 . 0 0 "[ . 1 . 2]" 1
1528 1 62 LYS HA 1 63 ALA H . . 3.160 2.345 2.323 2.383 . 0 0 "[ . 1 . 2]" 1
1529 1 62 LYS HA 1 63 ALA MB . . 4.450 4.016 3.979 4.055 . 0 0 "[ . 1 . 2]" 1
1530 1 62 LYS HA 1 64 THR H . . 4.640 4.166 4.041 4.281 . 0 0 "[ . 1 . 2]" 1
1531 1 62 LYS HB2 1 62 LYS QZ . . 5.070 4.447 3.828 5.156 0.086 18 0 "[ . 1 . 2]" 1
1532 1 62 LYS HB2 1 63 ALA H . . 4.120 3.703 3.572 3.777 . 0 0 "[ . 1 . 2]" 1
1533 1 62 LYS HB2 1 64 THR H . . 3.900 3.073 2.772 3.375 . 0 0 "[ . 1 . 2]" 1
1534 1 62 LYS HB2 1 65 ALA H . . 4.940 4.083 3.831 4.413 . 0 0 "[ . 1 . 2]" 1
1535 1 62 LYS HB3 1 62 LYS QZ . . 5.700 4.330 3.855 5.209 . 0 0 "[ . 1 . 2]" 1
1536 1 62 LYS HB3 1 63 ALA H . . 3.520 2.507 2.403 2.567 . 0 0 "[ . 1 . 2]" 1
1537 1 62 LYS HB3 1 64 THR H . . 3.620 2.860 2.518 3.039 . 0 0 "[ . 1 . 2]" 1
1538 1 62 LYS HB3 1 65 ALA H . . 5.020 4.785 4.546 4.979 . 0 0 "[ . 1 . 2]" 1
1539 1 62 LYS QD 1 63 ALA H . . 4.790 4.267 3.520 4.761 . 0 0 "[ . 1 . 2]" 1
1540 1 62 LYS QD 1 64 THR H . . 5.010 4.708 4.382 5.040 0.030 1 0 "[ . 1 . 2]" 1
1541 1 62 LYS QG 1 63 ALA H . . 4.430 3.969 3.605 4.406 . 0 0 "[ . 1 . 2]" 1
1542 1 62 LYS QG 1 64 THR H . . 5.070 4.672 4.292 4.932 . 0 0 "[ . 1 . 2]" 1
1543 1 62 LYS HG2 1 63 ALA H . . 5.090 4.313 3.917 5.047 . 0 0 "[ . 1 . 2]" 1
1544 1 62 LYS HG3 1 63 ALA H . . 5.090 4.807 3.775 4.911 . 0 0 "[ . 1 . 2]" 1
1545 1 63 ALA H 1 63 ALA MB . . 2.970 2.197 2.178 2.216 . 0 0 "[ . 1 . 2]" 1
1546 1 63 ALA H 1 64 THR H . . 3.710 2.877 2.817 2.929 . 0 0 "[ . 1 . 2]" 1
1547 1 63 ALA H 1 64 THR MG . . 4.850 4.387 4.212 4.511 . 0 0 "[ . 1 . 2]" 1
1548 1 63 ALA H 1 65 ALA H . . 4.920 4.561 4.508 4.647 . 0 0 "[ . 1 . 2]" 1
1549 1 63 ALA HA 1 65 ALA H . . 4.020 3.572 3.511 3.668 . 0 0 "[ . 1 . 2]" 1
1550 1 63 ALA HA 1 65 ALA MB . . 5.000 4.041 3.945 4.155 . 0 0 "[ . 1 . 2]" 1
1551 1 63 ALA HA 1 66 LEU H . . 4.210 3.384 3.237 3.510 . 0 0 "[ . 1 . 2]" 1
1552 1 63 ALA HA 1 66 LEU HB2 . . 4.510 3.448 3.061 3.612 . 0 0 "[ . 1 . 2]" 1
1553 1 63 ALA HA 1 66 LEU MD2 . . 4.680 3.568 3.377 4.622 . 0 0 "[ . 1 . 2]" 1
1554 1 63 ALA MB 1 64 THR H . . 3.720 3.236 3.174 3.294 . 0 0 "[ . 1 . 2]" 1
1555 1 63 ALA MB 1 65 ALA H . . 4.790 4.572 4.534 4.645 . 0 0 "[ . 1 . 2]" 1
1556 1 63 ALA MB 1 66 LEU H . . 5.010 4.319 4.247 4.408 . 0 0 "[ . 1 . 2]" 1
1557 1 64 THR H 1 64 THR HB . . 4.140 3.436 2.510 3.619 . 0 0 "[ . 1 . 2]" 1
1558 1 64 THR H 1 64 THR MG . . 3.190 2.402 2.150 2.507 . 0 0 "[ . 1 . 2]" 1
1559 1 64 THR H 1 65 ALA H . . 3.310 2.735 2.664 2.826 . 0 0 "[ . 1 . 2]" 1
1560 1 64 THR H 1 65 ALA MB . . 4.970 4.377 4.306 4.438 . 0 0 "[ . 1 . 2]" 1
1561 1 64 THR HA 1 64 THR MG . . 3.460 2.451 2.291 3.272 . 0 0 "[ . 1 . 2]" 1
1562 1 64 THR HA 1 66 LEU H . . 4.660 3.941 3.863 4.038 . 0 0 "[ . 1 . 2]" 1
1563 1 64 THR HA 1 67 TYR H . . 3.850 3.304 3.199 3.544 . 0 0 "[ . 1 . 2]" 1
1564 1 64 THR HA 1 67 TYR HB3 . . 5.090 2.705 2.396 4.163 . 0 0 "[ . 1 . 2]" 1
1565 1 64 THR HA 1 67 TYR QD . . 3.640 3.105 2.212 3.325 . 0 0 "[ . 1 . 2]" 1
1566 1 64 THR HA 1 67 TYR QE . . 5.380 5.117 2.921 5.392 0.012 16 0 "[ . 1 . 2]" 1
1567 1 64 THR HA 1 68 ASP H . . 4.900 4.165 4.035 4.256 . 0 0 "[ . 1 . 2]" 1
1568 1 64 THR HB 1 65 ALA H . . 4.550 3.942 3.871 4.198 . 0 0 "[ . 1 . 2]" 1
1569 1 64 THR HB 1 67 TYR QD . . 3.730 3.293 3.118 3.770 0.040 10 0 "[ . 1 . 2]" 1
1570 1 64 THR HB 1 67 TYR QE . . 4.680 4.524 2.680 4.684 0.004 5 0 "[ . 1 . 2]" 1
1571 1 64 THR MG 1 65 ALA H . . 4.410 3.992 2.509 4.284 . 0 0 "[ . 1 . 2]" 1
1572 1 64 THR MG 1 67 TYR QD . . 4.130 3.677 3.441 4.140 0.010 14 0 "[ . 1 . 2]" 1
1573 1 64 THR MG 1 67 TYR QE . . 4.580 4.474 2.365 4.594 0.014 13 0 "[ . 1 . 2]" 1
1574 1 64 THR MG 1 68 ASP H . . 5.780 5.262 4.748 5.506 . 0 0 "[ . 1 . 2]" 1
1575 1 65 ALA H 1 65 ALA MB . . 2.800 2.204 2.183 2.224 . 0 0 "[ . 1 . 2]" 1
1576 1 65 ALA H 1 66 LEU H . . 3.320 2.733 2.657 2.806 . 0 0 "[ . 1 . 2]" 1
1577 1 65 ALA H 1 67 TYR H . . 4.670 4.124 4.006 4.367 . 0 0 "[ . 1 . 2]" 1
1578 1 65 ALA H 1 69 HIS HD2 . . 5.270 5.273 5.255 5.288 0.018 17 0 "[ . 1 . 2]" 1
1579 1 65 ALA HA 1 68 ASP H . . 3.860 3.069 3.007 3.196 . 0 0 "[ . 1 . 2]" 1
1580 1 65 ALA HA 1 68 ASP HB2 . . 4.620 3.422 3.365 3.498 . 0 0 "[ . 1 . 2]" 1
1581 1 65 ALA HA 1 68 ASP QB . . 4.050 2.287 2.204 2.366 . 0 0 "[ . 1 . 2]" 1
1582 1 65 ALA HA 1 68 ASP HB3 . . 4.620 2.323 2.232 2.406 . 0 0 "[ . 1 . 2]" 1
1583 1 65 ALA HA 1 69 HIS H . . 4.620 3.551 3.480 3.605 . 0 0 "[ . 1 . 2]" 1
1584 1 65 ALA HA 1 69 HIS HD2 . . 3.360 2.832 2.795 2.880 . 0 0 "[ . 1 . 2]" 1
1585 1 65 ALA MB 1 66 LEU MD2 . . 4.080 2.860 2.720 3.716 . 0 0 "[ . 1 . 2]" 1
1586 1 65 ALA MB 1 67 TYR H . . 5.370 4.457 4.387 4.612 . 0 0 "[ . 1 . 2]" 1
1587 1 65 ALA MB 1 68 ASP H . . 5.110 4.482 4.436 4.585 . 0 0 "[ . 1 . 2]" 1
1588 1 65 ALA MB 1 69 HIS H . . 5.020 4.288 4.227 4.348 . 0 0 "[ . 1 . 2]" 1
1589 1 65 ALA MB 1 69 HIS HB2 . . 5.480 4.134 4.060 4.256 . 0 0 "[ . 1 . 2]" 1
1590 1 65 ALA MB 1 69 HIS HD2 . . 3.080 2.354 2.330 2.422 . 0 0 "[ . 1 . 2]" 1
1591 1 65 ALA MB 1 69 HIS HE1 . . 5.780 5.655 5.617 5.712 . 0 0 "[ . 1 . 2]" 1
1592 1 65 ALA MB 1 75 PHE HB2 . . 5.220 4.418 4.290 4.558 . 0 0 "[ . 1 . 2]" 1
1593 1 65 ALA MB 1 75 PHE QD . . 3.780 2.267 2.215 2.380 . 0 0 "[ . 1 . 2]" 1
1594 1 65 ALA MB 1 75 PHE QE . . 3.440 2.087 2.053 2.137 . 0 0 "[ . 1 . 2]" 1
1595 1 65 ALA MB 1 75 PHE HZ . . 4.840 3.987 3.765 4.105 . 0 0 "[ . 1 . 2]" 1
1596 1 65 ALA MB 1 78 HIS HD2 . . 3.710 3.643 3.533 3.711 0.001 2 0 "[ . 1 . 2]" 1
1597 1 65 ALA MB 1 78 HIS HE1 . . 5.740 5.122 4.980 5.313 . 0 0 "[ . 1 . 2]" 1
1598 1 65 ALA MB 1 79 ILE H . . 5.780 5.838 5.822 5.851 0.071 20 0 "[ . 1 . 2]" 1
1599 1 66 LEU H 1 66 LEU HB2 . . 3.750 2.157 2.057 2.184 . 0 0 "[ . 1 . 2]" 1
1600 1 66 LEU H 1 66 LEU HB3 . . 3.800 3.442 3.118 3.489 . 0 0 "[ . 1 . 2]" 1
1601 1 66 LEU H 1 66 LEU MD1 . . 4.610 4.257 4.210 4.435 . 0 0 "[ . 1 . 2]" 1
1602 1 66 LEU H 1 66 LEU MD2 . . 4.170 2.592 2.461 3.443 . 0 0 "[ . 1 . 2]" 1
1603 1 66 LEU H 1 67 TYR H . . 3.230 2.499 2.446 2.562 . 0 0 "[ . 1 . 2]" 1
1604 1 66 LEU HA 1 66 LEU MD1 . . 3.320 2.433 2.383 2.625 . 0 0 "[ . 1 . 2]" 1
1605 1 66 LEU HA 1 66 LEU MD2 . . 4.050 2.180 1.996 2.221 . 0 0 "[ . 1 . 2]" 1
1606 1 66 LEU HA 1 69 HIS HD2 . . 5.020 4.874 4.700 4.997 . 0 0 "[ . 1 . 2]" 1
1607 1 66 LEU HB2 1 67 TYR H . . 4.160 3.401 3.288 3.736 . 0 0 "[ . 1 . 2]" 1
1608 1 66 LEU HB3 1 66 LEU MD1 . . 3.420 2.244 2.224 2.289 . 0 0 "[ . 1 . 2]" 1
1609 1 66 LEU HB3 1 67 TYR H . . 4.120 3.804 3.508 3.886 . 0 0 "[ . 1 . 2]" 1
1610 1 66 LEU HB3 1 68 ASP H . . 5.780 5.784 5.646 5.807 0.027 16 0 "[ . 1 . 2]" 1
1611 1 66 LEU MD1 1 67 TYR HA . . 5.580 5.509 4.793 5.605 0.025 17 0 "[ . 1 . 2]" 1
1612 1 66 LEU MD1 1 75 PHE HB2 . . 4.980 4.600 4.420 4.927 . 0 0 "[ . 1 . 2]" 1
1613 1 66 LEU MD1 1 75 PHE QD . . 5.610 4.593 4.436 5.074 . 0 0 "[ . 1 . 2]" 1
1614 1 66 LEU MD2 1 72 PRO HA . . 5.780 5.164 4.351 5.354 . 0 0 "[ . 1 . 2]" 1
1615 1 66 LEU MD2 1 75 PHE HA . . 5.780 5.091 4.942 5.248 . 0 0 "[ . 1 . 2]" 1
1616 1 66 LEU MD2 1 75 PHE HB2 . . 4.940 3.576 3.205 3.707 . 0 0 "[ . 1 . 2]" 1
1617 1 66 LEU MD2 1 75 PHE QE . . 5.200 3.148 2.956 3.415 . 0 0 "[ . 1 . 2]" 1
1618 1 67 TYR H 1 67 TYR HB2 . . 3.700 3.245 3.086 3.756 0.056 20 0 "[ . 1 . 2]" 1
1619 1 67 TYR H 1 67 TYR HB3 . . 3.520 2.239 2.176 2.661 . 0 0 "[ . 1 . 2]" 1
1620 1 67 TYR H 1 67 TYR QD . . 4.450 3.686 3.107 3.825 . 0 0 "[ . 1 . 2]" 1
1621 1 67 TYR H 1 68 ASP H . . 3.030 2.218 2.154 2.285 . 0 0 "[ . 1 . 2]" 1
1622 1 67 TYR H 1 68 ASP HA . . 5.640 4.936 4.877 4.993 . 0 0 "[ . 1 . 2]" 1
1623 1 67 TYR H 1 68 ASP HB2 . . 5.490 4.498 4.412 4.560 . 0 0 "[ . 1 . 2]" 1
1624 1 67 TYR H 1 68 ASP QB . . 4.800 3.971 3.897 4.037 . 0 0 "[ . 1 . 2]" 1
1625 1 67 TYR H 1 68 ASP HB3 . . 5.490 4.418 4.334 4.504 . 0 0 "[ . 1 . 2]" 1
1626 1 67 TYR H 1 69 HIS H . . 4.570 3.885 3.812 3.962 . 0 0 "[ . 1 . 2]" 1
1627 1 67 TYR HA 1 67 TYR QD . . 4.110 3.067 2.945 3.593 . 0 0 "[ . 1 . 2]" 1
1628 1 67 TYR HB2 1 68 ASP H . . 4.630 4.202 4.159 4.288 . 0 0 "[ . 1 . 2]" 1
1629 1 67 TYR HB3 1 68 ASP H . . 3.770 3.077 2.928 3.813 0.043 20 0 "[ . 1 . 2]" 1
1630 1 67 TYR QD 1 68 ASP H . . 4.770 3.135 3.012 3.433 . 0 0 "[ . 1 . 2]" 1
1631 1 67 TYR QD 1 68 ASP HA . . 4.670 3.898 3.368 4.167 . 0 0 "[ . 1 . 2]" 1
1632 1 68 ASP H 1 68 ASP HB2 . . 3.680 2.469 2.446 2.506 . 0 0 "[ . 1 . 2]" 1
1633 1 68 ASP H 1 68 ASP QB . . 3.170 2.210 2.190 2.231 . 0 0 "[ . 1 . 2]" 1
1634 1 68 ASP H 1 68 ASP HB3 . . 3.680 2.493 2.462 2.558 . 0 0 "[ . 1 . 2]" 1
1635 1 68 ASP H 1 69 HIS H . . 3.840 2.723 2.679 2.782 . 0 0 "[ . 1 . 2]" 1
1636 1 68 ASP H 1 69 HIS HD2 . . 4.920 4.648 4.557 4.782 . 0 0 "[ . 1 . 2]" 1
1637 1 68 ASP HA 1 69 HIS HD2 . . 5.780 5.759 5.636 5.797 0.017 16 0 "[ . 1 . 2]" 1
1638 1 68 ASP QB 1 69 HIS H . . 3.750 2.794 2.685 2.863 . 0 0 "[ . 1 . 2]" 1
1639 1 68 ASP QB 1 69 HIS HD2 . . 3.770 3.258 3.138 3.313 . 0 0 "[ . 1 . 2]" 1
1640 1 68 ASP HB2 1 69 HIS H . . 4.330 4.049 3.986 4.084 . 0 0 "[ . 1 . 2]" 1
1641 1 68 ASP HB3 1 69 HIS H . . 4.330 2.848 2.730 2.924 . 0 0 "[ . 1 . 2]" 1
1642 1 69 HIS H 1 69 HIS HB2 . . 3.800 2.486 2.429 2.531 . 0 0 "[ . 1 . 2]" 1
1643 1 69 HIS H 1 69 HIS HB3 . . 4.230 3.667 3.639 3.698 . 0 0 "[ . 1 . 2]" 1
1644 1 69 HIS H 1 69 HIS HD2 . . 4.410 3.078 2.999 3.168 . 0 0 "[ . 1 . 2]" 1
1645 1 69 HIS H 1 70 PRO HA . . 5.230 5.178 5.060 5.244 0.014 5 0 "[ . 1 . 2]" 1
1646 1 69 HIS H 1 70 PRO HD2 . . 4.830 4.911 4.894 4.925 0.095 5 0 "[ . 1 . 2]" 1
1647 1 69 HIS H 1 70 PRO HD3 . . 4.830 4.742 4.632 4.801 . 0 0 "[ . 1 . 2]" 1
1648 1 69 HIS H 1 75 PHE HB2 . . 5.030 4.873 4.799 4.966 . 0 0 "[ . 1 . 2]" 1
1649 1 69 HIS HA 1 69 HIS HD2 . . 4.640 4.278 4.237 4.345 . 0 0 "[ . 1 . 2]" 1
1650 1 69 HIS HA 1 70 PRO HD2 . . 3.790 2.177 2.137 2.213 . 0 0 "[ . 1 . 2]" 1
1651 1 69 HIS HA 1 70 PRO QD . . 3.310 2.011 1.999 2.024 . 0 0 "[ . 1 . 2]" 1
1652 1 69 HIS HA 1 70 PRO HD3 . . 3.790 2.365 2.329 2.418 . 0 0 "[ . 1 . 2]" 1
1653 1 69 HIS HA 1 71 THR H . . 4.680 4.030 3.942 4.098 . 0 0 "[ . 1 . 2]" 1
1654 1 69 HIS HA 1 74 ALA MB . . 4.180 3.294 3.140 3.441 . 0 0 "[ . 1 . 2]" 1
1655 1 69 HIS HB2 1 69 HIS HD2 . . 4.020 2.657 2.625 2.681 . 0 0 "[ . 1 . 2]" 1
1656 1 69 HIS HB2 1 74 ALA MB . . 4.600 3.816 3.759 3.879 . 0 0 "[ . 1 . 2]" 1
1657 1 69 HIS HB2 1 75 PHE HA . . 4.420 3.425 3.193 3.627 . 0 0 "[ . 1 . 2]" 1
1658 1 69 HIS HB2 1 75 PHE HB2 . . 5.220 2.509 2.427 2.590 . 0 0 "[ . 1 . 2]" 1
1659 1 69 HIS HB3 1 74 ALA H . . 4.980 4.396 4.333 4.513 . 0 0 "[ . 1 . 2]" 1
1660 1 69 HIS HB3 1 74 ALA HA . . 4.880 4.720 4.560 4.890 0.010 7 0 "[ . 1 . 2]" 1
1661 1 69 HIS HB3 1 74 ALA MB . . 4.240 2.298 2.245 2.357 . 0 0 "[ . 1 . 2]" 1
1662 1 69 HIS HB3 1 75 PHE H . . 4.560 2.867 2.783 2.976 . 0 0 "[ . 1 . 2]" 1
1663 1 69 HIS HB3 1 75 PHE HA . . 4.260 3.440 3.272 3.622 . 0 0 "[ . 1 . 2]" 1
1664 1 69 HIS HB3 1 76 ALA H . . 5.780 5.527 5.453 5.648 . 0 0 "[ . 1 . 2]" 1
1665 1 69 HIS HD2 1 74 ALA MB . . 5.190 5.146 5.086 5.189 . 0 0 "[ . 1 . 2]" 1
1666 1 69 HIS HD2 1 75 PHE HB2 . . 5.180 3.911 3.789 4.077 . 0 0 "[ . 1 . 2]" 1
1667 1 69 HIS HD2 1 78 HIS HB3 . . 5.310 4.250 4.060 4.401 . 0 0 "[ . 1 . 2]" 1
1668 1 69 HIS HE1 1 78 HIS HB2 . . 4.650 2.875 2.615 3.180 . 0 0 "[ . 1 . 2]" 1
1669 1 70 PRO HA 1 71 THR MG . . 5.220 4.305 4.257 4.366 . 0 0 "[ . 1 . 2]" 1
1670 1 70 PRO HB2 1 71 THR HA . . 5.010 4.543 4.505 4.580 . 0 0 "[ . 1 . 2]" 1
1671 1 70 PRO HB2 1 71 THR MG . . 4.580 2.691 2.584 2.850 . 0 0 "[ . 1 . 2]" 1
1672 1 70 PRO HB3 1 71 THR MG . . 5.230 4.125 4.051 4.231 . 0 0 "[ . 1 . 2]" 1
1673 1 70 PRO QD 1 71 THR H . . 4.170 2.701 2.662 2.772 . 0 0 "[ . 1 . 2]" 1
1674 1 70 PRO QD 1 74 ALA MB . . 4.130 2.381 2.303 2.522 . 0 0 "[ . 1 . 2]" 1
1675 1 70 PRO HD2 1 74 ALA MB . . 5.060 2.404 2.324 2.550 . 0 0 "[ . 1 . 2]" 1
1676 1 70 PRO HD3 1 74 ALA MB . . 5.060 3.842 3.761 3.995 . 0 0 "[ . 1 . 2]" 1
1677 1 70 PRO HG2 1 71 THR H . . 4.730 2.545 2.473 2.662 . 0 0 "[ . 1 . 2]" 1
1678 1 70 PRO HG2 1 71 THR MG . . 4.170 2.298 2.234 2.344 . 0 0 "[ . 1 . 2]" 1
1679 1 70 PRO HG3 1 71 THR H . . 5.210 4.079 4.023 4.171 . 0 0 "[ . 1 . 2]" 1
1680 1 70 PRO HG3 1 71 THR MG . . 4.750 3.683 3.623 3.732 . 0 0 "[ . 1 . 2]" 1
1681 1 71 THR H 1 71 THR MG . . 3.790 2.852 2.784 2.896 . 0 0 "[ . 1 . 2]" 1
1682 1 71 THR H 1 72 PRO HD2 . . 5.170 4.865 4.835 4.895 . 0 0 "[ . 1 . 2]" 1
1683 1 71 THR H 1 72 PRO HD3 . . 5.690 5.240 5.206 5.268 . 0 0 "[ . 1 . 2]" 1
1684 1 71 THR H 1 74 ALA H . . 4.320 3.635 3.563 3.703 . 0 0 "[ . 1 . 2]" 1
1685 1 71 THR H 1 74 ALA HA . . 5.780 5.361 5.293 5.450 . 0 0 "[ . 1 . 2]" 1
1686 1 71 THR H 1 74 ALA MB . . 3.110 2.358 2.281 2.451 . 0 0 "[ . 1 . 2]" 1
1687 1 71 THR H 1 75 PHE H . . 4.650 3.893 3.776 3.958 . 0 0 "[ . 1 . 2]" 1
1688 1 71 THR H 1 75 PHE HB2 . . 5.780 4.840 4.764 4.897 . 0 0 "[ . 1 . 2]" 1
1689 1 71 THR HA 1 71 THR MG . . 3.490 2.479 2.442 2.514 . 0 0 "[ . 1 . 2]" 1
1690 1 71 THR HA 1 72 PRO HD2 . . 3.780 2.337 2.289 2.394 . 0 0 "[ . 1 . 2]" 1
1691 1 71 THR HA 1 72 PRO HD3 . . 4.200 2.650 2.616 2.681 . 0 0 "[ . 1 . 2]" 1
1692 1 71 THR HA 1 72 PRO HG2 . . 5.410 4.505 4.464 4.551 . 0 0 "[ . 1 . 2]" 1
1693 1 71 THR HA 1 72 PRO HG3 . . 5.040 4.707 4.688 4.730 . 0 0 "[ . 1 . 2]" 1
1694 1 71 THR HA 1 73 ALA H . . 5.030 4.180 4.137 4.242 . 0 0 "[ . 1 . 2]" 1
1695 1 71 THR HA 1 74 ALA MB . . 5.710 4.545 4.500 4.606 . 0 0 "[ . 1 . 2]" 1
1696 1 71 THR HB 1 72 PRO HD2 . . 4.370 2.108 2.091 2.128 . 0 0 "[ . 1 . 2]" 1
1697 1 71 THR HB 1 72 PRO HD3 . . 3.980 3.667 3.635 3.689 . 0 0 "[ . 1 . 2]" 1
1698 1 71 THR HB 1 73 ALA H . . 3.550 2.630 2.557 2.753 . 0 0 "[ . 1 . 2]" 1
1699 1 71 THR HB 1 73 ALA MB . . 3.910 3.248 3.182 3.376 . 0 0 "[ . 1 . 2]" 1
1700 1 71 THR HB 1 74 ALA H . . 4.220 3.454 3.399 3.536 . 0 0 "[ . 1 . 2]" 1
1701 1 71 THR MG 1 72 PRO HD2 . . 4.570 3.306 3.220 3.428 . 0 0 "[ . 1 . 2]" 1
1702 1 71 THR MG 1 72 PRO HD3 . . 4.500 4.353 4.292 4.446 . 0 0 "[ . 1 . 2]" 1
1703 1 71 THR MG 1 73 ALA H . . 4.740 4.196 4.147 4.269 . 0 0 "[ . 1 . 2]" 1
1704 1 71 THR MG 1 74 ALA H . . 4.790 4.000 3.942 4.052 . 0 0 "[ . 1 . 2]" 1
1705 1 71 THR MG 1 74 ALA MB . . 4.600 3.550 3.448 3.657 . 0 0 "[ . 1 . 2]" 1
1706 1 72 PRO HA 1 74 ALA H . . 4.820 4.528 4.428 4.600 . 0 0 "[ . 1 . 2]" 1
1707 1 72 PRO HA 1 75 PHE H . . 5.080 3.536 3.416 3.631 . 0 0 "[ . 1 . 2]" 1
1708 1 72 PRO HA 1 75 PHE HB3 . . 4.370 2.503 2.397 2.638 . 0 0 "[ . 1 . 2]" 1
1709 1 72 PRO HA 1 76 ALA H . . 5.390 3.822 3.736 3.909 . 0 0 "[ . 1 . 2]" 1
1710 1 72 PRO QB 1 73 ALA H . . 3.350 3.329 3.288 3.359 0.009 19 0 "[ . 1 . 2]" 1
1711 1 72 PRO QB 1 73 ALA HA . . 4.550 4.216 4.174 4.245 . 0 0 "[ . 1 . 2]" 1
1712 1 72 PRO QB 1 73 ALA MB . . 5.040 4.343 4.304 4.400 . 0 0 "[ . 1 . 2]" 1
1713 1 72 PRO QB 1 74 ALA H . . 5.270 5.265 5.198 5.298 0.028 13 0 "[ . 1 . 2]" 1
1714 1 72 PRO HD2 1 73 ALA H . . 4.440 2.964 2.919 3.022 . 0 0 "[ . 1 . 2]" 1
1715 1 72 PRO HD2 1 74 ALA H . . 4.880 4.784 4.732 4.816 . 0 0 "[ . 1 . 2]" 1
1716 1 72 PRO HD3 1 73 ALA H . . 4.120 4.053 4.022 4.085 . 0 0 "[ . 1 . 2]" 1
1717 1 72 PRO HD3 1 74 ALA H . . 5.780 5.705 5.634 5.752 . 0 0 "[ . 1 . 2]" 1
1718 1 72 PRO HG2 1 73 ALA H . . 4.140 2.402 2.328 2.498 . 0 0 "[ . 1 . 2]" 1
1719 1 73 ALA H 1 73 ALA MB . . 2.810 2.209 2.195 2.224 . 0 0 "[ . 1 . 2]" 1
1720 1 73 ALA H 1 74 ALA H . . 3.570 2.771 2.716 2.819 . 0 0 "[ . 1 . 2]" 1
1721 1 73 ALA H 1 75 PHE H . . 4.990 4.252 4.159 4.319 . 0 0 "[ . 1 . 2]" 1
1722 1 73 ALA HA 1 76 ALA H . . 4.270 3.479 3.381 3.578 . 0 0 "[ . 1 . 2]" 1
1723 1 73 ALA HA 1 76 ALA MB . . 3.230 2.518 2.427 2.639 . 0 0 "[ . 1 . 2]" 1
1724 1 73 ALA HA 1 77 ARG H . . 4.540 4.189 4.061 4.437 . 0 0 "[ . 1 . 2]" 1
1725 1 73 ALA MB 1 74 ALA H . . 3.300 2.658 2.556 2.765 . 0 0 "[ . 1 . 2]" 1
1726 1 73 ALA MB 1 74 ALA MB . . 4.180 3.807 3.736 3.893 . 0 0 "[ . 1 . 2]" 1
1727 1 73 ALA MB 1 75 PHE H . . 5.220 4.682 4.619 4.751 . 0 0 "[ . 1 . 2]" 1
1728 1 73 ALA MB 1 77 ARG H . . 5.020 4.819 4.661 4.977 . 0 0 "[ . 1 . 2]" 1
1729 1 74 ALA H 1 74 ALA MB . . 2.980 2.209 2.193 2.219 . 0 0 "[ . 1 . 2]" 1
1730 1 74 ALA H 1 75 PHE H . . 3.340 2.672 2.604 2.738 . 0 0 "[ . 1 . 2]" 1
1731 1 74 ALA H 1 75 PHE HB2 . . 5.780 5.109 4.997 5.196 . 0 0 "[ . 1 . 2]" 1
1732 1 74 ALA H 1 75 PHE HB3 . . 5.130 4.664 4.576 4.754 . 0 0 "[ . 1 . 2]" 1
1733 1 74 ALA H 1 76 ALA H . . 4.780 4.171 4.106 4.258 . 0 0 "[ . 1 . 2]" 1
1734 1 74 ALA H 1 76 ALA MB . . 5.780 4.792 4.706 4.846 . 0 0 "[ . 1 . 2]" 1
1735 1 74 ALA HA 1 77 ARG H . . 4.300 3.491 3.377 3.587 . 0 0 "[ . 1 . 2]" 1
1736 1 74 ALA HA 1 77 ARG QB . . 3.890 2.791 2.575 2.995 . 0 0 "[ . 1 . 2]" 1
1737 1 74 ALA HA 1 77 ARG HE . . 4.980 3.737 2.427 4.996 0.016 12 0 "[ . 1 . 2]" 1
1738 1 74 ALA HA 1 78 HIS H . . 5.330 4.574 4.341 4.911 . 0 0 "[ . 1 . 2]" 1
1739 1 74 ALA MB 1 75 PHE H . . 3.420 2.541 2.491 2.627 . 0 0 "[ . 1 . 2]" 1
1740 1 74 ALA MB 1 75 PHE HA . . 4.280 4.026 3.987 4.066 . 0 0 "[ . 1 . 2]" 1
1741 1 74 ALA MB 1 77 ARG H . . 5.270 4.660 4.563 4.718 . 0 0 "[ . 1 . 2]" 1
1742 1 74 ALA MB 1 77 ARG HE . . 5.780 4.843 3.928 5.793 0.013 5 0 "[ . 1 . 2]" 1
1743 1 74 ALA MB 1 78 HIS H . . 5.640 5.019 4.854 5.272 . 0 0 "[ . 1 . 2]" 1
1744 1 75 PHE H 1 75 PHE HB2 . . 3.350 2.555 2.519 2.590 . 0 0 "[ . 1 . 2]" 1
1745 1 75 PHE H 1 75 PHE HB3 . . 3.360 2.364 2.335 2.390 . 0 0 "[ . 1 . 2]" 1
1746 1 75 PHE H 1 75 PHE QD . . 4.530 4.161 4.138 4.175 . 0 0 "[ . 1 . 2]" 1
1747 1 75 PHE H 1 76 ALA H . . 3.490 2.822 2.779 2.870 . 0 0 "[ . 1 . 2]" 1
1748 1 75 PHE H 1 76 ALA MB . . 4.580 4.416 4.370 4.458 . 0 0 "[ . 1 . 2]" 1
1749 1 75 PHE H 1 77 ARG H . . 4.830 4.221 4.170 4.274 . 0 0 "[ . 1 . 2]" 1
1750 1 75 PHE HA 1 75 PHE QD . . 3.590 2.576 2.365 2.735 . 0 0 "[ . 1 . 2]" 1
1751 1 75 PHE HA 1 77 ARG H . . 5.780 4.337 4.162 4.472 . 0 0 "[ . 1 . 2]" 1
1752 1 75 PHE HA 1 78 HIS H . . 4.300 3.421 3.334 3.613 . 0 0 "[ . 1 . 2]" 1
1753 1 75 PHE HA 1 78 HIS HB3 . . 4.490 2.789 2.542 3.200 . 0 0 "[ . 1 . 2]" 1
1754 1 75 PHE HA 1 78 HIS HD2 . . 4.700 4.124 3.822 4.474 . 0 0 "[ . 1 . 2]" 1
1755 1 75 PHE HB2 1 76 ALA H . . 4.390 4.021 3.990 4.074 . 0 0 "[ . 1 . 2]" 1
1756 1 75 PHE HB3 1 76 ALA H . . 3.530 2.684 2.650 2.760 . 0 0 "[ . 1 . 2]" 1
1757 1 75 PHE HB3 1 76 ALA MB . . 5.260 4.107 4.081 4.147 . 0 0 "[ . 1 . 2]" 1
1758 1 75 PHE QD 1 76 ALA H . . 4.180 3.497 3.265 3.750 . 0 0 "[ . 1 . 2]" 1
1759 1 75 PHE QD 1 76 ALA MB . . 5.400 3.833 3.599 4.074 . 0 0 "[ . 1 . 2]" 1
1760 1 75 PHE QD 1 78 HIS HB3 . . 5.380 3.891 3.504 4.261 . 0 0 "[ . 1 . 2]" 1
1761 1 75 PHE QD 1 78 HIS HD2 . . 4.370 3.603 3.053 4.019 . 0 0 "[ . 1 . 2]" 1
1762 1 75 PHE QD 1 79 ILE MD . . 4.110 3.333 3.269 3.388 . 0 0 "[ . 1 . 2]" 1
1763 1 75 PHE QD 1 79 ILE HG13 . . 4.570 4.216 4.087 4.343 . 0 0 "[ . 1 . 2]" 1
1764 1 75 PHE QE 1 78 HIS HD2 . . 4.270 3.201 2.833 3.489 . 0 0 "[ . 1 . 2]" 1
1765 1 75 PHE QE 1 79 ILE MD . . 3.830 2.294 2.163 2.552 . 0 0 "[ . 1 . 2]" 1
1766 1 75 PHE QE 1 79 ILE MG . . 5.390 5.040 4.955 5.161 . 0 0 "[ . 1 . 2]" 1
1767 1 75 PHE HZ 1 78 HIS HD2 . . 5.060 4.302 4.162 4.418 . 0 0 "[ . 1 . 2]" 1
1768 1 75 PHE HZ 1 79 ILE MD . . 4.140 2.718 2.605 2.849 . 0 0 "[ . 1 . 2]" 1
1769 1 75 PHE HZ 1 79 ILE HG12 . . 4.130 4.111 3.971 4.157 0.027 13 0 "[ . 1 . 2]" 1
1770 1 76 ALA H 1 76 ALA MB . . 2.880 2.192 2.173 2.215 . 0 0 "[ . 1 . 2]" 1
1771 1 76 ALA H 1 77 ARG H . . 3.340 2.809 2.772 2.835 . 0 0 "[ . 1 . 2]" 1
1772 1 76 ALA H 1 77 ARG QB . . 4.820 4.755 4.621 4.831 0.011 17 0 "[ . 1 . 2]" 1
1773 1 76 ALA H 1 77 ARG QG . . 5.610 4.829 4.573 5.521 . 0 0 "[ . 1 . 2]" 1
1774 1 76 ALA H 1 78 HIS H . . 4.750 4.318 4.215 4.469 . 0 0 "[ . 1 . 2]" 1
1775 1 76 ALA HA 1 78 HIS H . . 5.150 4.321 4.215 4.436 . 0 0 "[ . 1 . 2]" 1
1776 1 76 ALA HA 1 79 ILE H . . 3.910 3.381 3.273 3.463 . 0 0 "[ . 1 . 2]" 1
1777 1 76 ALA HA 1 79 ILE HB . . 4.060 2.648 2.551 2.784 . 0 0 "[ . 1 . 2]" 1
1778 1 76 ALA HA 1 79 ILE MD . . 4.300 2.537 2.389 2.738 . 0 0 "[ . 1 . 2]" 1
1779 1 76 ALA HA 1 79 ILE HG12 . . 5.680 4.700 4.485 4.859 . 0 0 "[ . 1 . 2]" 1
1780 1 76 ALA HA 1 79 ILE HG13 . . 4.400 3.319 3.033 3.513 . 0 0 "[ . 1 . 2]" 1
1781 1 76 ALA HA 1 79 ILE MG . . 4.830 4.036 3.910 4.186 . 0 0 "[ . 1 . 2]" 1
1782 1 76 ALA HA 1 80 ALA H . . 4.600 3.970 3.922 4.100 . 0 0 "[ . 1 . 2]" 1
1783 1 76 ALA MB 1 77 ARG H . . 3.240 2.742 2.671 2.883 . 0 0 "[ . 1 . 2]" 1
1784 1 76 ALA MB 1 78 HIS H . . 4.940 4.651 4.578 4.711 . 0 0 "[ . 1 . 2]" 1
1785 1 76 ALA MB 1 79 ILE MD . . 4.650 3.611 3.407 3.803 . 0 0 "[ . 1 . 2]" 1
1786 1 76 ALA MB 1 80 ALA H . . 4.830 4.385 4.299 4.461 . 0 0 "[ . 1 . 2]" 1
1787 1 77 ARG H 1 77 ARG QB . . 2.990 2.322 2.146 2.400 . 0 0 "[ . 1 . 2]" 1
1788 1 77 ARG H 1 77 ARG QD . . 5.080 4.069 3.578 4.430 . 0 0 "[ . 1 . 2]" 1
1789 1 77 ARG H 1 77 ARG QG . . 3.700 2.613 2.448 3.226 . 0 0 "[ . 1 . 2]" 1
1790 1 77 ARG H 1 78 HIS H . . 3.590 2.728 2.605 2.830 . 0 0 "[ . 1 . 2]" 1
1791 1 77 ARG H 1 78 HIS HB3 . . 5.110 4.666 4.552 4.773 . 0 0 "[ . 1 . 2]" 1
1792 1 77 ARG H 1 79 ILE H . . 5.030 4.445 4.308 4.566 . 0 0 "[ . 1 . 2]" 1
1793 1 77 ARG H 1 80 ALA MB . . 5.020 4.530 4.440 4.617 . 0 0 "[ . 1 . 2]" 1
1794 1 77 ARG HA 1 77 ARG QD . . 4.850 4.025 3.915 4.252 . 0 0 "[ . 1 . 2]" 1
1795 1 77 ARG HA 1 77 ARG HG2 . . 4.180 2.504 2.329 3.780 . 0 0 "[ . 1 . 2]" 1
1796 1 77 ARG HA 1 77 ARG HG3 . . 4.180 2.839 2.703 3.483 . 0 0 "[ . 1 . 2]" 1
1797 1 77 ARG HA 1 79 ILE H . . 5.170 4.677 4.480 4.757 . 0 0 "[ . 1 . 2]" 1
1798 1 77 ARG HA 1 80 ALA H . . 3.900 3.199 2.937 3.368 . 0 0 "[ . 1 . 2]" 1
1799 1 77 ARG HA 1 80 ALA MB . . 3.420 2.287 2.194 2.393 . 0 0 "[ . 1 . 2]" 1
1800 1 77 ARG QB 1 77 ARG HE . . 4.060 3.006 2.059 4.031 . 0 0 "[ . 1 . 2]" 1
1801 1 77 ARG QB 1 78 HIS H . . 3.500 2.935 2.711 3.487 . 0 0 "[ . 1 . 2]" 1
1802 1 77 ARG QB 1 79 ILE H . . 5.550 5.171 5.044 5.427 . 0 0 "[ . 1 . 2]" 1
1803 1 77 ARG QG 1 78 HIS H . . 4.900 4.335 2.577 4.491 . 0 0 "[ . 1 . 2]" 1
1804 1 78 HIS H 1 78 HIS HB2 . . 3.280 2.971 2.912 3.026 . 0 0 "[ . 1 . 2]" 1
1805 1 78 HIS H 1 78 HIS HB3 . . 3.210 2.235 2.196 2.259 . 0 0 "[ . 1 . 2]" 1
1806 1 78 HIS H 1 78 HIS HD2 . . 5.070 4.454 4.346 4.534 . 0 0 "[ . 1 . 2]" 1
1807 1 78 HIS H 1 79 ILE H . . 3.500 2.868 2.771 2.966 . 0 0 "[ . 1 . 2]" 1
1808 1 78 HIS H 1 79 ILE HG13 . . 4.970 4.579 4.394 4.733 . 0 0 "[ . 1 . 2]" 1
1809 1 78 HIS H 1 80 ALA H . . 4.950 4.204 4.140 4.304 . 0 0 "[ . 1 . 2]" 1
1810 1 78 HIS H 1 80 ALA MB . . 5.240 4.778 4.653 4.875 . 0 0 "[ . 1 . 2]" 1
1811 1 78 HIS HA 1 78 HIS HD2 . . 5.270 4.665 4.625 4.705 . 0 0 "[ . 1 . 2]" 1
1812 1 78 HIS HA 1 80 ALA H . . 4.970 4.616 4.546 4.706 . 0 0 "[ . 1 . 2]" 1
1813 1 78 HIS HA 1 81 GLU H . . 4.160 3.504 3.378 3.674 . 0 0 "[ . 1 . 2]" 1
1814 1 78 HIS HA 1 81 GLU QG . . 4.800 3.903 3.556 4.317 . 0 0 "[ . 1 . 2]" 1
1815 1 78 HIS HB2 1 79 ILE H . . 4.580 4.025 3.997 4.060 . 0 0 "[ . 1 . 2]" 1
1816 1 78 HIS HB3 1 78 HIS HD2 . . 3.760 2.629 2.602 2.658 . 0 0 "[ . 1 . 2]" 1
1817 1 78 HIS HB3 1 79 ILE H . . 3.740 2.744 2.711 2.788 . 0 0 "[ . 1 . 2]" 1
1818 1 78 HIS HD2 1 79 ILE H . . 4.330 2.846 2.770 2.958 . 0 0 "[ . 1 . 2]" 1
1819 1 78 HIS HD2 1 79 ILE HA . . 4.540 3.837 3.750 3.930 . 0 0 "[ . 1 . 2]" 1
1820 1 78 HIS HD2 1 79 ILE MD . . 3.870 3.842 3.780 3.881 0.011 12 0 "[ . 1 . 2]" 1
1821 1 78 HIS HD2 1 79 ILE HG12 . . 5.650 3.255 3.150 3.456 . 0 0 "[ . 1 . 2]" 1
1822 1 78 HIS HD2 1 79 ILE HG13 . . 3.590 2.511 2.418 2.591 . 0 0 "[ . 1 . 2]" 1
1823 1 78 HIS HD2 1 79 ILE MG . . 5.050 4.924 4.866 5.014 . 0 0 "[ . 1 . 2]" 1
1824 1 78 HIS HE1 1 79 ILE H . . 5.780 5.781 5.711 5.801 0.021 1 0 "[ . 1 . 2]" 1
1825 1 79 ILE H 1 79 ILE HB . . 3.200 2.579 2.533 2.616 . 0 0 "[ . 1 . 2]" 1
1826 1 79 ILE H 1 79 ILE MD . . 4.040 3.558 3.491 3.620 . 0 0 "[ . 1 . 2]" 1
1827 1 79 ILE H 1 79 ILE HG12 . . 3.500 3.324 3.245 3.393 . 0 0 "[ . 1 . 2]" 1
1828 1 79 ILE H 1 79 ILE HG13 . . 3.340 2.055 2.025 2.091 . 0 0 "[ . 1 . 2]" 1
1829 1 79 ILE H 1 79 ILE MG . . 4.070 3.840 3.825 3.853 . 0 0 "[ . 1 . 2]" 1
1830 1 79 ILE H 1 80 ALA H . . 3.420 3.002 2.941 3.049 . 0 0 "[ . 1 . 2]" 1
1831 1 79 ILE H 1 80 ALA HA . . 5.780 5.565 5.524 5.608 . 0 0 "[ . 1 . 2]" 1
1832 1 79 ILE H 1 80 ALA MB . . 4.910 4.577 4.476 4.640 . 0 0 "[ . 1 . 2]" 1
1833 1 79 ILE H 1 81 GLU H . . 4.690 4.425 4.363 4.481 . 0 0 "[ . 1 . 2]" 1
1834 1 79 ILE H 1 82 SER H . . 5.100 4.820 4.758 4.902 . 0 0 "[ . 1 . 2]" 1
1835 1 79 ILE H 1 82 SER HB2 . . 5.780 5.139 5.020 5.351 . 0 0 "[ . 1 . 2]" 1
1836 1 79 ILE HA 1 79 ILE MD . . 4.110 3.855 3.817 3.878 . 0 0 "[ . 1 . 2]" 1
1837 1 79 ILE HA 1 79 ILE HG13 . . 4.280 3.011 2.914 3.075 . 0 0 "[ . 1 . 2]" 1
1838 1 79 ILE HA 1 79 ILE MG . . 3.500 2.534 2.503 2.577 . 0 0 "[ . 1 . 2]" 1
1839 1 79 ILE HA 1 82 SER H . . 4.210 3.451 3.357 3.494 . 0 0 "[ . 1 . 2]" 1
1840 1 79 ILE HA 1 82 SER HB2 . . 4.620 2.761 2.488 3.357 . 0 0 "[ . 1 . 2]" 1
1841 1 79 ILE HA 1 82 SER HB3 . . 4.580 3.822 2.647 4.263 . 0 0 "[ . 1 . 2]" 1
1842 1 79 ILE HA 1 83 LEU H . . 4.840 4.146 4.052 4.252 . 0 0 "[ . 1 . 2]" 1
1843 1 79 ILE HB 1 80 ALA H . . 3.310 2.567 2.528 2.645 . 0 0 "[ . 1 . 2]" 1
1844 1 79 ILE HB 1 81 GLU H . . 5.150 5.156 5.113 5.173 0.023 18 0 "[ . 1 . 2]" 1
1845 1 79 ILE MD 1 80 ALA H . . 4.860 4.583 4.541 4.647 . 0 0 "[ . 1 . 2]" 1
1846 1 79 ILE HG12 1 79 ILE MG . . 3.430 2.378 2.348 2.401 . 0 0 "[ . 1 . 2]" 1
1847 1 79 ILE HG12 1 80 ALA H . . 5.500 5.032 4.972 5.077 . 0 0 "[ . 1 . 2]" 1
1848 1 79 ILE HG13 1 80 ALA H . . 4.390 4.351 4.260 4.397 0.007 18 0 "[ . 1 . 2]" 1
1849 1 79 ILE MG 1 80 ALA H . . 3.840 3.349 3.259 3.431 . 0 0 "[ . 1 . 2]" 1
1850 1 79 ILE MG 1 80 ALA HA . . 4.760 3.419 3.300 3.550 . 0 0 "[ . 1 . 2]" 1
1851 1 79 ILE MG 1 80 ALA MB . . 4.600 3.954 3.786 4.113 . 0 0 "[ . 1 . 2]" 1
1852 1 79 ILE MG 1 81 GLU H . . 5.080 5.097 5.084 5.115 0.035 13 0 "[ . 1 . 2]" 1
1853 1 79 ILE MG 1 82 SER H . . 5.130 4.667 4.564 4.770 . 0 0 "[ . 1 . 2]" 1
1854 1 79 ILE MG 1 82 SER HB3 . . 5.160 4.664 3.767 5.021 . 0 0 "[ . 1 . 2]" 1
1855 1 79 ILE MG 1 83 LEU H . . 4.860 3.967 3.855 4.080 . 0 0 "[ . 1 . 2]" 1
1856 1 79 ILE MG 1 83 LEU QB . . 3.960 3.428 3.261 3.548 . 0 0 "[ . 1 . 2]" 1
1857 1 79 ILE MG 1 83 LEU MD1 . . 3.460 2.315 2.204 2.393 . 0 0 "[ . 1 . 2]" 1
1858 1 79 ILE MG 1 83 LEU MD2 . . 3.700 2.781 2.321 3.105 . 0 0 "[ . 1 . 2]" 1
1859 1 79 ILE MG 1 83 LEU HG . . 5.370 4.734 4.547 4.884 . 0 0 "[ . 1 . 2]" 1
1860 1 80 ALA H 1 80 ALA MB . . 2.820 2.179 2.148 2.208 . 0 0 "[ . 1 . 2]" 1
1861 1 80 ALA H 1 81 GLU H . . 3.450 2.869 2.829 2.929 . 0 0 "[ . 1 . 2]" 1
1862 1 80 ALA H 1 81 GLU HB2 . . 5.110 4.980 4.876 5.066 . 0 0 "[ . 1 . 2]" 1
1863 1 80 ALA H 1 82 SER H . . 4.940 4.169 4.057 4.314 . 0 0 "[ . 1 . 2]" 1
1864 1 80 ALA H 1 85 ALA MB . . 5.780 5.076 4.666 5.667 . 0 0 "[ . 1 . 2]" 1
1865 1 80 ALA HA 1 82 SER H . . 5.780 4.288 4.151 4.441 . 0 0 "[ . 1 . 2]" 1
1866 1 80 ALA HA 1 83 LEU H . . 4.850 3.350 3.182 3.517 . 0 0 "[ . 1 . 2]" 1
1867 1 80 ALA HA 1 83 LEU QB . . 4.270 2.644 2.407 2.947 . 0 0 "[ . 1 . 2]" 1
1868 1 80 ALA HA 1 83 LEU MD1 . . 5.100 4.059 3.879 4.265 . 0 0 "[ . 1 . 2]" 1
1869 1 80 ALA HA 1 83 LEU MD2 . . 4.810 3.799 3.536 4.201 . 0 0 "[ . 1 . 2]" 1
1870 1 80 ALA HA 1 84 GLY H . . 4.920 4.067 3.938 4.281 . 0 0 "[ . 1 . 2]" 1
1871 1 80 ALA HA 1 85 ALA H . . 4.840 3.730 3.139 4.160 . 0 0 "[ . 1 . 2]" 1
1872 1 80 ALA HA 1 85 ALA MB . . 4.860 3.313 2.517 3.830 . 0 0 "[ . 1 . 2]" 1
1873 1 80 ALA MB 1 81 GLU H . . 3.160 2.708 2.488 2.849 . 0 0 "[ . 1 . 2]" 1
1874 1 80 ALA MB 1 82 SER H . . 4.790 4.558 4.410 4.686 . 0 0 "[ . 1 . 2]" 1
1875 1 80 ALA MB 1 84 GLY H . . 5.670 4.718 4.501 4.903 . 0 0 "[ . 1 . 2]" 1
1876 1 80 ALA MB 1 85 ALA H . . 4.620 3.674 3.535 3.860 . 0 0 "[ . 1 . 2]" 1
1877 1 81 GLU H 1 81 GLU HB2 . . 3.160 2.356 2.300 2.388 . 0 0 "[ . 1 . 2]" 1
1878 1 81 GLU H 1 81 GLU HB3 . . 3.940 3.602 3.574 3.624 . 0 0 "[ . 1 . 2]" 1
1879 1 81 GLU H 1 81 GLU HG2 . . 3.930 3.390 2.621 3.837 . 0 0 "[ . 1 . 2]" 1
1880 1 81 GLU H 1 81 GLU QG . . 3.360 2.612 2.494 2.669 . 0 0 "[ . 1 . 2]" 1
1881 1 81 GLU H 1 81 GLU HG3 . . 3.930 3.047 2.531 3.800 . 0 0 "[ . 1 . 2]" 1
1882 1 81 GLU H 1 82 SER H . . 3.210 2.607 2.539 2.666 . 0 0 "[ . 1 . 2]" 1
1883 1 81 GLU H 1 83 LEU H . . 4.650 4.181 4.073 4.297 . 0 0 "[ . 1 . 2]" 1
1884 1 81 GLU H 1 83 LEU QB . . 5.540 5.105 4.934 5.285 . 0 0 "[ . 1 . 2]" 1
1885 1 81 GLU HA 1 81 GLU HG2 . . 4.380 2.558 2.361 2.926 . 0 0 "[ . 1 . 2]" 1
1886 1 81 GLU HA 1 81 GLU QG . . 3.690 2.462 2.274 2.827 . 0 0 "[ . 1 . 2]" 1
1887 1 81 GLU HA 1 81 GLU HG3 . . 4.380 3.220 2.856 3.749 . 0 0 "[ . 1 . 2]" 1
1888 1 81 GLU HA 1 83 LEU H . . 5.110 4.432 4.283 4.523 . 0 0 "[ . 1 . 2]" 1
1889 1 81 GLU HA 1 84 GLY H . . 4.450 3.271 3.173 3.469 . 0 0 "[ . 1 . 2]" 1
1890 1 81 GLU HA 1 85 ALA H . . 5.100 3.634 2.854 4.398 . 0 0 "[ . 1 . 2]" 1
1891 1 81 GLU HB2 1 82 SER H . . 3.760 2.952 2.884 3.042 . 0 0 "[ . 1 . 2]" 1
1892 1 81 GLU HB2 1 82 SER HA . . 4.740 4.748 4.732 4.756 0.016 19 0 "[ . 1 . 2]" 1
1893 1 81 GLU HB3 1 82 SER H . . 4.300 3.714 3.638 3.829 . 0 0 "[ . 1 . 2]" 1
1894 1 81 GLU QG 1 82 SER H . . 4.610 4.381 4.356 4.410 . 0 0 "[ . 1 . 2]" 1
1895 1 81 GLU HG2 1 82 SER H . . 5.380 5.019 4.703 5.231 . 0 0 "[ . 1 . 2]" 1
1896 1 81 GLU HG3 1 82 SER H . . 5.380 4.896 4.660 5.281 . 0 0 "[ . 1 . 2]" 1
1897 1 82 SER H 1 82 SER HB2 . . 3.840 2.437 2.366 2.483 . 0 0 "[ . 1 . 2]" 1
1898 1 82 SER H 1 82 SER HB3 . . 4.180 3.366 2.541 3.624 . 0 0 "[ . 1 . 2]" 1
1899 1 82 SER H 1 83 LEU H . . 3.240 2.653 2.580 2.729 . 0 0 "[ . 1 . 2]" 1
1900 1 82 SER H 1 83 LEU QB . . 4.780 4.438 4.345 4.532 . 0 0 "[ . 1 . 2]" 1
1901 1 82 SER H 1 83 LEU MD1 . . 4.840 4.354 4.246 4.528 . 0 0 "[ . 1 . 2]" 1
1902 1 82 SER HB2 1 83 LEU H . . 4.800 3.036 2.697 3.904 . 0 0 "[ . 1 . 2]" 1
1903 1 82 SER HB2 1 83 LEU MD1 . . 5.120 3.368 2.852 4.566 . 0 0 "[ . 1 . 2]" 1
1904 1 82 SER HB3 1 83 LEU H . . 3.680 3.425 2.645 3.712 0.032 3 0 "[ . 1 . 2]" 1
1905 1 82 SER HB3 1 83 LEU MD1 . . 4.730 3.246 2.951 3.425 . 0 0 "[ . 1 . 2]" 1
1906 1 82 SER HB3 1 83 LEU HG . . 5.780 5.746 5.547 5.810 0.030 14 0 "[ . 1 . 2]" 1
1907 1 83 LEU H 1 83 LEU QB . . 2.890 2.150 2.105 2.204 . 0 0 "[ . 1 . 2]" 1
1908 1 83 LEU H 1 83 LEU MD1 . . 3.760 2.691 2.611 2.781 . 0 0 "[ . 1 . 2]" 1
1909 1 83 LEU H 1 83 LEU MD2 . . 4.460 4.017 3.863 4.100 . 0 0 "[ . 1 . 2]" 1
1910 1 83 LEU H 1 83 LEU HG . . 4.700 4.171 4.113 4.257 . 0 0 "[ . 1 . 2]" 1
1911 1 83 LEU H 1 84 GLY H . . 3.320 2.550 2.483 2.657 . 0 0 "[ . 1 . 2]" 1
1912 1 83 LEU H 1 84 GLY QA . . 5.050 4.485 4.396 4.622 . 0 0 "[ . 1 . 2]" 1
1913 1 83 LEU HA 1 83 LEU MD1 . . 3.060 2.485 2.375 2.593 . 0 0 "[ . 1 . 2]" 1
1914 1 83 LEU HA 1 83 LEU MD2 . . 4.550 3.746 3.713 3.776 . 0 0 "[ . 1 . 2]" 1
1915 1 83 LEU QB 1 83 LEU MD1 . . 3.170 2.398 2.336 2.454 . 0 0 "[ . 1 . 2]" 1
1916 1 83 LEU QB 1 83 LEU MD2 . . 3.180 2.079 2.034 2.100 . 0 0 "[ . 1 . 2]" 1
1917 1 83 LEU QB 1 84 GLY H . . 3.850 3.076 2.911 3.234 . 0 0 "[ . 1 . 2]" 1
1918 1 83 LEU QB 1 85 ALA H . . 4.250 3.595 2.760 4.269 0.019 20 0 "[ . 1 . 2]" 1
1919 1 83 LEU MD1 1 84 GLY H . . 4.710 4.510 4.440 4.584 . 0 0 "[ . 1 . 2]" 1
1920 1 83 LEU MD2 1 84 GLY H . . 5.110 5.095 4.940 5.168 0.058 10 0 "[ . 1 . 2]" 1
1921 1 84 GLY QA 1 85 ALA H . . 3.550 2.684 2.338 3.004 . 0 0 "[ . 1 . 2]" 1
1922 1 85 ALA H 1 85 ALA MB . . 2.960 2.301 2.118 2.673 . 0 0 "[ . 1 . 2]" 1
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