NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
544691 |
2lsm   |
18437 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lsm
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 1501
_Distance_constraint_stats_list.Viol_count 1817
_Distance_constraint_stats_list.Viol_total 1175.608
_Distance_constraint_stats_list.Viol_max 0.403
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0324
_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 PRO 0.490 0.145 6 0 "[ . 1 . 2]"
1 2 ASP 0.759 0.145 6 0 "[ . 1 . 2]"
1 3 THR 0.612 0.085 7 0 "[ . 1 . 2]"
1 4 VAL 0.081 0.014 14 0 "[ . 1 . 2]"
1 5 ILE 0.397 0.028 14 0 "[ . 1 . 2]"
1 6 LEU 0.017 0.008 20 0 "[ . 1 . 2]"
1 7 ASP 0.008 0.008 20 0 "[ . 1 . 2]"
1 8 THR 0.202 0.051 20 0 "[ . 1 . 2]"
1 9 SER 1.803 0.403 16 0 "[ . 1 . 2]"
1 10 GLU 1.730 0.403 16 0 "[ . 1 . 2]"
1 11 LEU 1.547 0.109 19 0 "[ . 1 . 2]"
1 12 VAL 4.509 0.100 14 0 "[ . 1 . 2]"
1 13 THR 2.183 0.060 19 0 "[ . 1 . 2]"
1 14 VAL 1.099 0.068 9 0 "[ . 1 . 2]"
1 15 VAL 1.945 0.122 20 0 "[ . 1 . 2]"
1 16 ALA 1.991 0.063 2 0 "[ . 1 . 2]"
1 17 LEU 0.557 0.035 9 0 "[ . 1 . 2]"
1 18 VAL 0.023 0.012 11 0 "[ . 1 . 2]"
1 19 LYS 0.797 0.072 7 0 "[ . 1 . 2]"
1 20 LEU 6.870 0.121 16 0 "[ . 1 . 2]"
1 21 HIS 0.267 0.022 4 0 "[ . 1 . 2]"
1 22 THR 6.577 0.160 18 0 "[ . 1 . 2]"
1 23 ASP 0.064 0.015 20 0 "[ . 1 . 2]"
1 24 ALA 2.308 0.144 19 0 "[ . 1 . 2]"
1 25 LEU 3.086 0.171 18 0 "[ . 1 . 2]"
1 26 HIS 5.876 0.130 13 0 "[ . 1 . 2]"
1 27 ALA 3.162 0.130 13 0 "[ . 1 . 2]"
1 29 ARG 2.291 0.090 14 0 "[ . 1 . 2]"
1 30 ASP 0.008 0.008 5 0 "[ . 1 . 2]"
1 31 GLU 1.527 0.110 20 0 "[ . 1 . 2]"
1 32 PRO 1.613 0.171 18 0 "[ . 1 . 2]"
1 33 VAL 6.658 0.160 18 0 "[ . 1 . 2]"
1 34 ALA 2.099 0.092 14 0 "[ . 1 . 2]"
1 35 PHE 1.846 0.175 20 0 "[ . 1 . 2]"
1 36 VAL 7.577 0.165 11 0 "[ . 1 . 2]"
1 37 LEU 3.875 0.288 20 0 "[ . 1 . 2]"
1 38 PRO 1.962 0.121 16 0 "[ . 1 . 2]"
1 39 GLY 0.155 0.053 11 0 "[ . 1 . 2]"
1 40 THR 4.591 0.095 12 0 "[ . 1 . 2]"
1 41 ALA 6.288 0.165 11 0 "[ . 1 . 2]"
1 42 PHE 3.622 0.095 12 0 "[ . 1 . 2]"
1 43 ARG 2.494 0.186 10 0 "[ . 1 . 2]"
1 44 VAL 4.456 0.144 19 0 "[ . 1 . 2]"
1 45 SER 3.661 0.109 19 0 "[ . 1 . 2]"
1 46 ALA 2.141 0.084 19 0 "[ . 1 . 2]"
1 47 GLY 0.295 0.033 1 0 "[ . 1 . 2]"
1 48 VAL 0.820 0.035 12 0 "[ . 1 . 2]"
1 49 ALA 3.925 0.100 14 0 "[ . 1 . 2]"
1 50 ALA 0.126 0.024 3 0 "[ . 1 . 2]"
1 51 GLU 0.521 0.030 16 0 "[ . 1 . 2]"
1 52 MET 0.537 0.020 14 0 "[ . 1 . 2]"
1 53 THR 0.233 0.026 3 0 "[ . 1 . 2]"
1 54 GLU 0.001 0.001 15 0 "[ . 1 . 2]"
1 55 ARG 0.333 0.030 7 0 "[ . 1 . 2]"
1 56 GLY 0.101 0.010 17 0 "[ . 1 . 2]"
1 57 LEU 0.136 0.009 8 0 "[ . 1 . 2]"
1 58 ALA 0.638 0.035 9 0 "[ . 1 . 2]"
1 59 ARG 0.025 0.004 14 0 "[ . 1 . 2]"
1 60 MET 0.254 0.068 9 0 "[ . 1 . 2]"
1 61 GLN 0.015 0.004 9 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 PRO HA 1 2 ASP H . . 2.820 2.588 2.204 2.873 0.053 14 0 "[ . 1 . 2]" 1
2 1 1 PRO HA 1 2 ASP HB2 . . 5.500 4.125 3.848 5.348 . 0 0 "[ . 1 . 2]" 1
3 1 1 PRO HA 1 2 ASP QB . . 4.810 3.955 3.749 4.885 0.075 6 0 "[ . 1 . 2]" 1
4 1 1 PRO HA 1 2 ASP HB3 . . 5.500 5.273 5.042 5.645 0.145 6 0 "[ . 1 . 2]" 1
5 1 1 PRO QG 1 2 ASP H . . 4.790 3.921 3.674 4.523 . 0 0 "[ . 1 . 2]" 1
6 1 1 PRO QG 1 2 ASP HA . . 5.280 4.592 4.344 5.285 0.005 14 0 "[ . 1 . 2]" 1
7 1 1 PRO QG 1 2 ASP QB . . 5.340 5.135 3.655 5.467 0.127 6 0 "[ . 1 . 2]" 1
8 1 1 PRO QG 1 3 THR H . . 5.500 4.932 3.437 5.482 . 0 0 "[ . 1 . 2]" 1
9 1 1 PRO QG 1 4 VAL QG . . 4.820 3.412 1.925 4.834 0.014 14 0 "[ . 1 . 2]" 1
10 1 2 ASP H 1 2 ASP QB . . 3.100 2.794 2.300 2.950 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASP H 1 3 THR H . . 3.300 2.015 1.900 2.668 . 0 0 "[ . 1 . 2]" 1
12 1 2 ASP H 1 3 THR MG . . 5.500 5.286 4.959 5.534 0.034 7 0 "[ . 1 . 2]" 1
13 1 2 ASP H 1 4 VAL H . . 4.380 3.448 2.974 3.954 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP HA 1 3 THR H . . 3.540 3.384 2.971 3.566 0.026 14 0 "[ . 1 . 2]" 1
15 1 2 ASP HA 1 4 VAL QG . . 5.280 3.987 3.473 4.444 . 0 0 "[ . 1 . 2]" 1
16 1 2 ASP QB 1 3 THR H . . 4.270 2.963 2.255 3.738 . 0 0 "[ . 1 . 2]" 1
17 1 2 ASP HB2 1 3 THR H . . 4.990 3.566 2.944 4.269 . 0 0 "[ . 1 . 2]" 1
18 1 2 ASP HB2 1 3 THR HA . . 5.500 5.384 4.194 5.585 0.085 7 0 "[ . 1 . 2]" 1
19 1 2 ASP HB3 1 3 THR H . . 4.990 3.256 2.275 4.224 . 0 0 "[ . 1 . 2]" 1
20 1 2 ASP HB3 1 3 THR HA . . 5.500 4.340 4.099 5.039 . 0 0 "[ . 1 . 2]" 1
21 1 3 THR H 1 3 THR HB . . 3.170 2.619 2.479 2.677 . 0 0 "[ . 1 . 2]" 1
22 1 3 THR H 1 3 THR MG . . 3.860 3.846 3.783 3.873 0.013 17 0 "[ . 1 . 2]" 1
23 1 3 THR H 1 4 VAL H . . 3.260 2.187 1.977 2.463 . 0 0 "[ . 1 . 2]" 1
24 1 3 THR H 1 4 VAL HB . . 5.500 5.085 4.922 5.326 . 0 0 "[ . 1 . 2]" 1
25 1 3 THR H 1 4 VAL QG . . 4.620 3.236 3.093 3.561 . 0 0 "[ . 1 . 2]" 1
26 1 3 THR H 1 5 ILE H . . 4.750 4.758 4.746 4.778 0.028 14 0 "[ . 1 . 2]" 1
27 1 3 THR HA 1 3 THR MG . . 2.950 2.281 2.227 2.351 . 0 0 "[ . 1 . 2]" 1
28 1 3 THR HA 1 4 VAL QG . . 3.900 3.786 3.649 3.855 . 0 0 "[ . 1 . 2]" 1
29 1 3 THR HA 1 5 ILE HB . . 5.500 5.413 5.144 5.507 0.007 20 0 "[ . 1 . 2]" 1
30 1 3 THR HB 1 4 VAL H . . 3.380 2.445 2.301 2.689 . 0 0 "[ . 1 . 2]" 1
31 1 3 THR HB 1 4 VAL HB . . 5.500 5.416 5.363 5.477 . 0 0 "[ . 1 . 2]" 1
32 1 3 THR HB 1 4 VAL QG . . 4.790 4.331 4.225 4.510 . 0 0 "[ . 1 . 2]" 1
33 1 3 THR MG 1 4 VAL H . . 3.980 3.402 3.101 3.504 . 0 0 "[ . 1 . 2]" 1
34 1 3 THR MG 1 4 VAL HA . . 4.510 4.468 4.155 4.517 0.007 6 0 "[ . 1 . 2]" 1
35 1 3 THR MG 1 4 VAL HB . . 4.720 4.545 4.424 4.648 . 0 0 "[ . 1 . 2]" 1
36 1 3 THR MG 1 5 ILE H . . 4.010 2.753 1.941 3.128 . 0 0 "[ . 1 . 2]" 1
37 1 4 VAL H 1 4 VAL HB . . 3.870 3.694 3.654 3.732 . 0 0 "[ . 1 . 2]" 1
38 1 4 VAL H 1 4 VAL MG1 . . 3.950 3.939 3.921 3.953 0.003 8 0 "[ . 1 . 2]" 1
39 1 4 VAL H 1 4 VAL QG . . 3.200 2.551 2.467 2.604 . 0 0 "[ . 1 . 2]" 1
40 1 4 VAL H 1 4 VAL MG2 . . 3.950 2.585 2.493 2.642 . 0 0 "[ . 1 . 2]" 1
41 1 4 VAL H 1 5 ILE H . . 3.180 2.837 2.702 2.970 . 0 0 "[ . 1 . 2]" 1
42 1 4 VAL H 1 5 ILE QG . . 4.140 4.017 3.929 4.117 . 0 0 "[ . 1 . 2]" 1
43 1 4 VAL HA 1 4 VAL MG1 . . 3.240 2.208 2.145 2.293 . 0 0 "[ . 1 . 2]" 1
44 1 4 VAL HA 1 4 VAL QG . . 2.590 2.055 2.017 2.113 . 0 0 "[ . 1 . 2]" 1
45 1 4 VAL HA 1 4 VAL MG2 . . 3.240 2.450 2.393 2.521 . 0 0 "[ . 1 . 2]" 1
46 1 4 VAL HA 1 5 ILE H . . 3.120 2.654 2.531 2.820 . 0 0 "[ . 1 . 2]" 1
47 1 4 VAL HA 1 5 ILE HB . . 5.500 5.316 5.188 5.428 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL HB 1 5 ILE H . . 4.660 4.310 4.189 4.390 . 0 0 "[ . 1 . 2]" 1
49 1 4 VAL QG 1 5 ILE H . . 4.300 3.683 3.626 3.737 . 0 0 "[ . 1 . 2]" 1
50 1 5 ILE H 1 5 ILE HB . . 3.000 2.809 2.655 2.900 . 0 0 "[ . 1 . 2]" 1
51 1 5 ILE H 1 5 ILE MD . . 4.600 3.987 3.694 4.383 . 0 0 "[ . 1 . 2]" 1
52 1 5 ILE H 1 5 ILE HG12 . . 4.150 3.341 2.802 4.143 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE H 1 5 ILE HG13 . . 4.150 3.768 3.167 4.171 0.021 2 0 "[ . 1 . 2]" 1
54 1 5 ILE H 1 5 ILE MG . . 4.330 3.914 3.858 3.935 . 0 0 "[ . 1 . 2]" 1
55 1 5 ILE H 1 6 LEU HA . . 5.500 4.747 4.558 4.919 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE HA 1 5 ILE MD . . 4.140 2.735 1.982 3.818 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE HA 1 5 ILE HG12 . . 3.770 2.853 2.505 3.096 . 0 0 "[ . 1 . 2]" 1
58 1 5 ILE HA 1 5 ILE QG . . 3.100 2.730 2.397 2.963 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE HA 1 5 ILE HG13 . . 3.770 3.481 3.051 3.777 0.007 2 0 "[ . 1 . 2]" 1
60 1 5 ILE HA 1 5 ILE MG . . 2.780 2.300 2.232 2.392 . 0 0 "[ . 1 . 2]" 1
61 1 5 ILE HA 1 6 LEU H . . 2.430 2.151 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
62 1 5 ILE HA 1 6 LEU HB2 . . 4.450 4.229 4.109 4.378 . 0 0 "[ . 1 . 2]" 1
63 1 5 ILE HB 1 5 ILE MD . . 3.350 2.877 2.348 3.229 . 0 0 "[ . 1 . 2]" 1
64 1 5 ILE HB 1 6 LEU H . . 4.410 4.249 4.065 4.388 . 0 0 "[ . 1 . 2]" 1
65 1 5 ILE HB 1 6 LEU HA . . 5.500 4.855 4.696 5.154 . 0 0 "[ . 1 . 2]" 1
66 1 5 ILE QG 1 6 LEU H . . 5.070 4.513 4.058 4.801 . 0 0 "[ . 1 . 2]" 1
67 1 5 ILE HG12 1 5 ILE MG . . 3.240 2.865 2.352 3.200 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE HG13 1 5 ILE MG . . 3.240 2.669 2.285 3.204 . 0 0 "[ . 1 . 2]" 1
69 1 5 ILE MG 1 6 LEU H . . 3.220 2.699 2.266 3.050 . 0 0 "[ . 1 . 2]" 1
70 1 5 ILE MG 1 7 ASP HB2 . . 5.440 3.628 2.637 4.802 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE MG 1 7 ASP QB . . 4.730 3.443 2.530 4.502 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE MG 1 7 ASP HB3 . . 5.440 4.453 3.255 5.440 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU H 1 6 LEU HB2 . . 2.780 2.511 2.097 2.779 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU H 1 6 LEU HB3 . . 3.140 3.003 2.868 3.142 0.002 17 0 "[ . 1 . 2]" 1
75 1 6 LEU HA 1 6 LEU HB2 . . 2.780 2.699 2.637 2.779 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU HA 1 6 LEU QD . . 2.520 2.158 1.880 2.465 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU HA 1 7 ASP H . . 2.530 2.153 2.138 2.219 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU HA 1 7 ASP HA . . 4.570 4.393 4.373 4.418 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU HA 1 8 THR MG . . 4.910 4.303 3.831 4.917 0.007 20 0 "[ . 1 . 2]" 1
80 1 6 LEU HB3 1 6 LEU QD . . 2.520 2.199 2.050 2.340 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU HB3 1 7 ASP H . . 4.250 3.982 3.735 4.258 0.008 20 0 "[ . 1 . 2]" 1
82 1 6 LEU HB3 1 7 ASP HA . . 4.720 4.349 4.175 4.508 . 0 0 "[ . 1 . 2]" 1
83 1 6 LEU QD 1 7 ASP H . . 3.590 2.406 2.115 2.860 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU QD 1 7 ASP HA . . 4.360 3.451 3.222 3.832 . 0 0 "[ . 1 . 2]" 1
85 1 6 LEU QD 1 7 ASP QB . . 4.850 4.153 3.932 4.524 . 0 0 "[ . 1 . 2]" 1
86 1 6 LEU QD 1 8 THR HA . . 4.580 4.249 3.959 4.563 . 0 0 "[ . 1 . 2]" 1
87 1 6 LEU QD 1 9 SER H . . 5.440 5.178 4.649 5.432 . 0 0 "[ . 1 . 2]" 1
88 1 7 ASP H 1 7 ASP QB . . 2.900 2.627 2.428 2.824 . 0 0 "[ . 1 . 2]" 1
89 1 7 ASP H 1 8 THR HA . . 5.070 4.759 4.510 4.996 . 0 0 "[ . 1 . 2]" 1
90 1 7 ASP H 1 8 THR MG . . 4.610 3.140 2.577 4.344 . 0 0 "[ . 1 . 2]" 1
91 1 7 ASP HA 1 8 THR H . . 3.060 2.358 2.139 2.971 . 0 0 "[ . 1 . 2]" 1
92 1 7 ASP HA 1 8 THR HA . . 4.830 4.379 4.346 4.405 . 0 0 "[ . 1 . 2]" 1
93 1 7 ASP HA 1 8 THR MG . . 4.190 3.936 3.435 4.173 . 0 0 "[ . 1 . 2]" 1
94 1 8 THR H 1 8 THR HB . . 4.060 3.859 3.653 3.951 . 0 0 "[ . 1 . 2]" 1
95 1 8 THR H 1 8 THR MG . . 3.250 2.837 2.340 3.179 . 0 0 "[ . 1 . 2]" 1
96 1 8 THR HA 1 8 THR HB . . 2.940 2.422 2.374 2.501 . 0 0 "[ . 1 . 2]" 1
97 1 8 THR HA 1 8 THR MG . . 2.940 2.402 2.278 2.494 . 0 0 "[ . 1 . 2]" 1
98 1 8 THR HA 1 9 SER H . . 3.200 2.665 2.159 3.251 0.051 20 0 "[ . 1 . 2]" 1
99 1 8 THR HB 1 9 SER QB . . 5.240 4.728 3.831 5.198 . 0 0 "[ . 1 . 2]" 1
100 1 8 THR MG 1 9 SER H . . 4.160 3.862 3.526 4.187 0.027 2 0 "[ . 1 . 2]" 1
101 1 9 SER H 1 9 SER QB . . 3.290 2.886 2.258 3.282 . 0 0 "[ . 1 . 2]" 1
102 1 9 SER H 1 10 GLU H . . 3.310 2.877 2.256 3.242 . 0 0 "[ . 1 . 2]" 1
103 1 9 SER HA 1 9 SER QB . . 2.620 2.359 2.177 2.525 . 0 0 "[ . 1 . 2]" 1
104 1 9 SER HA 1 10 GLU H . . 3.150 2.789 2.359 3.553 0.403 16 0 "[ . 1 . 2]" 1
105 1 9 SER QB 1 10 GLU H . . 4.100 3.562 1.973 4.026 . 0 0 "[ . 1 . 2]" 1
106 1 9 SER QB 1 10 GLU HA . . 4.520 4.321 3.855 4.531 0.011 20 0 "[ . 1 . 2]" 1
107 1 9 SER QB 1 11 LEU H . . 5.340 4.909 3.899 5.336 . 0 0 "[ . 1 . 2]" 1
108 1 10 GLU H 1 10 GLU QB . . 3.040 2.676 2.432 2.917 . 0 0 "[ . 1 . 2]" 1
109 1 10 GLU H 1 10 GLU QG . . 3.870 3.486 2.702 3.942 0.072 20 0 "[ . 1 . 2]" 1
110 1 10 GLU H 1 11 LEU H . . 3.530 3.361 2.905 3.524 . 0 0 "[ . 1 . 2]" 1
111 1 10 GLU H 1 11 LEU QD . . 4.430 3.479 2.988 4.270 . 0 0 "[ . 1 . 2]" 1
112 1 10 GLU H 1 46 ALA H . . 5.320 4.751 3.150 5.342 0.022 17 0 "[ . 1 . 2]" 1
113 1 10 GLU HA 1 10 GLU QB . . 2.610 2.454 2.318 2.525 . 0 0 "[ . 1 . 2]" 1
114 1 10 GLU HA 1 10 GLU HG2 . . 3.580 2.356 2.064 2.895 . 0 0 "[ . 1 . 2]" 1
115 1 10 GLU HA 1 10 GLU QG . . 2.990 2.229 2.046 2.555 . 0 0 "[ . 1 . 2]" 1
116 1 10 GLU HA 1 10 GLU HG3 . . 3.580 3.133 2.315 3.527 . 0 0 "[ . 1 . 2]" 1
117 1 10 GLU HA 1 11 LEU H . . 2.810 2.371 2.185 2.596 . 0 0 "[ . 1 . 2]" 1
118 1 10 GLU HA 1 11 LEU HB2 . . 5.070 4.380 4.210 4.563 . 0 0 "[ . 1 . 2]" 1
119 1 10 GLU HA 1 46 ALA MB . . 5.460 5.091 3.991 5.463 0.003 6 0 "[ . 1 . 2]" 1
120 1 10 GLU QB 1 10 GLU QG . . 2.320 2.053 2.020 2.086 . 0 0 "[ . 1 . 2]" 1
121 1 10 GLU QB 1 11 LEU H . . 4.130 3.881 3.736 3.969 . 0 0 "[ . 1 . 2]" 1
122 1 10 GLU QB 1 12 VAL QG . . 4.410 3.594 3.118 3.764 . 0 0 "[ . 1 . 2]" 1
123 1 10 GLU QB 1 46 ALA H . . 4.600 4.193 3.050 4.554 . 0 0 "[ . 1 . 2]" 1
124 1 10 GLU QB 1 46 ALA HA . . 5.340 4.881 3.640 5.290 . 0 0 "[ . 1 . 2]" 1
125 1 10 GLU QB 1 46 ALA MB . . 3.570 2.847 1.735 3.207 . 0 0 "[ . 1 . 2]" 1
126 1 10 GLU HB2 1 11 LEU H . . 4.770 4.549 4.416 4.648 . 0 0 "[ . 1 . 2]" 1
127 1 10 GLU HB2 1 46 ALA MB . . 4.280 3.310 1.943 4.010 . 0 0 "[ . 1 . 2]" 1
128 1 10 GLU HB3 1 11 LEU H . . 4.770 4.215 3.946 4.354 . 0 0 "[ . 1 . 2]" 1
129 1 10 GLU HB3 1 46 ALA MB . . 4.280 3.245 1.945 4.239 . 0 0 "[ . 1 . 2]" 1
130 1 10 GLU QG 1 11 LEU H . . 5.050 4.266 3.553 4.515 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU H 1 11 LEU HB2 . . 3.070 2.096 2.046 2.127 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU H 1 11 LEU HB3 . . 3.450 3.399 3.296 3.451 0.001 9 0 "[ . 1 . 2]" 1
133 1 11 LEU H 1 11 LEU QD . . 3.600 2.426 2.216 2.898 . 0 0 "[ . 1 . 2]" 1
134 1 11 LEU H 1 12 VAL H . . 4.670 4.623 4.556 4.641 . 0 0 "[ . 1 . 2]" 1
135 1 11 LEU HA 1 11 LEU QD . . 2.840 1.989 1.912 2.130 . 0 0 "[ . 1 . 2]" 1
136 1 11 LEU HA 1 11 LEU HG . . 3.800 3.458 2.687 3.652 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU HA 1 12 VAL H . . 2.610 2.249 2.170 2.281 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU HA 1 12 VAL QG . . 4.140 3.158 3.128 3.237 . 0 0 "[ . 1 . 2]" 1
139 1 11 LEU HA 1 27 ALA MB . . 4.850 4.760 4.572 4.863 0.013 14 0 "[ . 1 . 2]" 1
140 1 11 LEU HA 1 44 VAL H . . 4.870 4.473 4.284 4.590 . 0 0 "[ . 1 . 2]" 1
141 1 11 LEU HA 1 44 VAL HA . . 5.070 5.033 4.768 5.087 0.017 5 0 "[ . 1 . 2]" 1
142 1 11 LEU HA 1 45 SER QB . . 5.060 4.900 4.720 5.062 0.002 11 0 "[ . 1 . 2]" 1
143 1 11 LEU HA 1 46 ALA MB . . 5.500 4.727 4.448 4.841 . 0 0 "[ . 1 . 2]" 1
144 1 11 LEU HB2 1 11 LEU QD . . 3.060 2.275 2.027 2.354 . 0 0 "[ . 1 . 2]" 1
145 1 11 LEU HB2 1 12 VAL H . . 4.450 4.214 4.158 4.362 . 0 0 "[ . 1 . 2]" 1
146 1 11 LEU HB2 1 12 VAL HA . . 5.500 5.292 5.230 5.412 . 0 0 "[ . 1 . 2]" 1
147 1 11 LEU HB2 1 43 ARG HB3 . . 4.960 4.264 3.856 4.963 0.003 19 0 "[ . 1 . 2]" 1
148 1 11 LEU HB2 1 43 ARG QD . . 5.170 4.141 3.646 5.119 . 0 0 "[ . 1 . 2]" 1
149 1 11 LEU HB3 1 11 LEU HG . . 2.980 2.411 2.328 2.454 . 0 0 "[ . 1 . 2]" 1
150 1 11 LEU HB3 1 12 VAL H . . 3.640 3.039 2.923 3.300 . 0 0 "[ . 1 . 2]" 1
151 1 11 LEU HB3 1 13 THR H . . 5.500 5.271 5.222 5.373 . 0 0 "[ . 1 . 2]" 1
152 1 11 LEU HB3 1 43 ARG HA . . 5.500 4.628 4.256 5.401 . 0 0 "[ . 1 . 2]" 1
153 1 11 LEU HB3 1 43 ARG HB3 . . 4.030 2.655 2.210 3.483 . 0 0 "[ . 1 . 2]" 1
154 1 11 LEU HB3 1 43 ARG QD . . 4.120 3.224 2.925 3.896 . 0 0 "[ . 1 . 2]" 1
155 1 11 LEU HB3 1 45 SER HA . . 5.500 5.529 5.503 5.609 0.109 19 0 "[ . 1 . 2]" 1
156 1 11 LEU QD 1 12 VAL H . . 3.600 2.572 1.943 3.567 . 0 0 "[ . 1 . 2]" 1
157 1 11 LEU QD 1 26 HIS HA . . 4.750 3.393 3.106 3.690 . 0 0 "[ . 1 . 2]" 1
158 1 11 LEU QD 1 43 ARG HA . . 5.440 3.779 3.180 5.111 . 0 0 "[ . 1 . 2]" 1
159 1 11 LEU QD 1 43 ARG HB3 . . 4.540 2.617 2.134 3.603 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU QD 1 43 ARG QD . . 5.120 3.476 2.424 4.023 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU QD 1 44 VAL HA . . 3.830 2.841 2.466 3.885 0.055 14 0 "[ . 1 . 2]" 1
162 1 11 LEU QD 1 44 VAL HB . . 5.440 4.423 4.096 5.358 . 0 0 "[ . 1 . 2]" 1
163 1 11 LEU QD 1 45 SER H . . 4.000 3.510 3.238 4.055 0.055 18 0 "[ . 1 . 2]" 1
164 1 11 LEU QD 1 45 SER HA . . 3.440 2.677 2.557 2.812 . 0 0 "[ . 1 . 2]" 1
165 1 11 LEU QD 1 45 SER QB . . 4.010 3.676 3.570 3.778 . 0 0 "[ . 1 . 2]" 1
166 1 11 LEU QD 1 46 ALA H . . 4.730 4.182 3.885 4.384 . 0 0 "[ . 1 . 2]" 1
167 1 11 LEU HG 1 27 ALA H . . 4.350 3.317 2.956 3.945 . 0 0 "[ . 1 . 2]" 1
168 1 11 LEU HG 1 27 ALA MB . . 4.210 3.446 2.720 4.161 . 0 0 "[ . 1 . 2]" 1
169 1 11 LEU HG 1 29 ARG H . . 5.500 4.922 4.394 5.590 0.090 14 0 "[ . 1 . 2]" 1
170 1 11 LEU HG 1 43 ARG HA . . 5.500 5.330 4.547 5.521 0.021 5 0 "[ . 1 . 2]" 1
171 1 11 LEU HG 1 43 ARG HB2 . . 3.400 3.380 3.233 3.468 0.068 8 0 "[ . 1 . 2]" 1
172 1 11 LEU HG 1 43 ARG HB3 . . 3.780 3.315 2.661 3.475 . 0 0 "[ . 1 . 2]" 1
173 1 11 LEU HG 1 43 ARG QD . . 3.890 3.631 3.392 3.927 0.037 19 0 "[ . 1 . 2]" 1
174 1 11 LEU HG 1 44 VAL HA . . 5.440 4.971 3.882 5.342 . 0 0 "[ . 1 . 2]" 1
175 1 12 VAL H 1 12 VAL HB . . 3.830 3.822 3.717 3.911 0.081 19 0 "[ . 1 . 2]" 1
176 1 12 VAL H 1 12 VAL MG1 . . 3.920 2.661 2.394 2.845 . 0 0 "[ . 1 . 2]" 1
177 1 12 VAL H 1 12 VAL QG . . 2.940 2.055 1.963 2.171 . 0 0 "[ . 1 . 2]" 1
178 1 12 VAL H 1 12 VAL MG2 . . 3.920 2.140 2.077 2.251 . 0 0 "[ . 1 . 2]" 1
179 1 12 VAL H 1 13 THR H . . 4.650 4.391 4.310 4.493 . 0 0 "[ . 1 . 2]" 1
180 1 12 VAL H 1 43 ARG HA . . 4.610 4.124 3.974 4.442 . 0 0 "[ . 1 . 2]" 1
181 1 12 VAL H 1 43 ARG HB3 . . 4.220 3.704 3.517 4.046 . 0 0 "[ . 1 . 2]" 1
182 1 12 VAL H 1 44 VAL H . . 3.300 2.733 2.608 3.015 . 0 0 "[ . 1 . 2]" 1
183 1 12 VAL H 1 44 VAL HA . . 4.620 4.459 4.374 4.634 0.014 6 0 "[ . 1 . 2]" 1
184 1 12 VAL H 1 45 SER H . . 4.850 4.891 4.867 4.903 0.053 17 0 "[ . 1 . 2]" 1
185 1 12 VAL H 1 46 ALA HA . . 5.140 4.729 4.419 4.909 . 0 0 "[ . 1 . 2]" 1
186 1 12 VAL H 1 46 ALA MB . . 5.390 5.092 4.771 5.293 . 0 0 "[ . 1 . 2]" 1
187 1 12 VAL HA 1 12 VAL MG1 . . 3.210 2.457 2.454 2.462 . 0 0 "[ . 1 . 2]" 1
188 1 12 VAL HA 1 12 VAL MG2 . . 3.210 3.188 3.186 3.189 . 0 0 "[ . 1 . 2]" 1
189 1 12 VAL HA 1 13 THR H . . 2.480 2.177 2.170 2.188 . 0 0 "[ . 1 . 2]" 1
190 1 12 VAL HA 1 13 THR HA . . 4.620 4.358 4.353 4.362 . 0 0 "[ . 1 . 2]" 1
191 1 12 VAL HA 1 49 ALA MB . . 5.170 5.096 5.080 5.115 . 0 0 "[ . 1 . 2]" 1
192 1 12 VAL HB 1 13 THR H . . 3.120 3.092 3.033 3.126 0.006 3 0 "[ . 1 . 2]" 1
193 1 12 VAL HB 1 14 VAL QG . . 4.640 4.501 3.396 4.650 0.010 14 0 "[ . 1 . 2]" 1
194 1 12 VAL HB 1 44 VAL QG . . 4.720 4.160 4.079 4.266 . 0 0 "[ . 1 . 2]" 1
195 1 12 VAL HB 1 46 ALA HA . . 4.420 4.461 4.430 4.504 0.084 19 0 "[ . 1 . 2]" 1
196 1 12 VAL HB 1 49 ALA MB . . 3.410 3.428 3.392 3.487 0.077 14 0 "[ . 1 . 2]" 1
197 1 12 VAL QG 1 13 THR H . . 3.440 3.468 3.447 3.485 0.045 13 0 "[ . 1 . 2]" 1
198 1 12 VAL QG 1 13 THR HA . . 4.580 4.077 4.051 4.106 . 0 0 "[ . 1 . 2]" 1
199 1 12 VAL QG 1 13 THR HB . . 5.130 5.105 5.045 5.150 0.020 9 0 "[ . 1 . 2]" 1
200 1 12 VAL QG 1 14 VAL H . . 4.360 4.261 4.084 4.365 0.005 18 0 "[ . 1 . 2]" 1
201 1 12 VAL QG 1 14 VAL QG . . 3.150 2.845 2.035 2.962 . 0 0 "[ . 1 . 2]" 1
202 1 12 VAL QG 1 44 VAL H . . 4.230 2.373 2.321 2.448 . 0 0 "[ . 1 . 2]" 1
203 1 12 VAL QG 1 44 VAL HA . . 5.440 4.128 4.067 4.221 . 0 0 "[ . 1 . 2]" 1
204 1 12 VAL QG 1 44 VAL HB . . 4.180 3.885 3.756 4.026 . 0 0 "[ . 1 . 2]" 1
205 1 12 VAL QG 1 44 VAL QG . . 3.250 1.885 1.830 1.937 . 0 0 "[ . 1 . 2]" 1
206 1 12 VAL QG 1 46 ALA H . . 3.550 3.303 3.148 3.462 . 0 0 "[ . 1 . 2]" 1
207 1 12 VAL QG 1 46 ALA HA . . 2.870 1.960 1.933 1.988 . 0 0 "[ . 1 . 2]" 1
208 1 12 VAL QG 1 46 ALA MB . . 3.040 2.667 2.475 2.742 . 0 0 "[ . 1 . 2]" 1
209 1 12 VAL QG 1 47 GLY H . . 5.270 4.445 4.409 4.466 . 0 0 "[ . 1 . 2]" 1
210 1 12 VAL QG 1 60 MET ME . . 2.730 2.560 2.345 2.675 . 0 0 "[ . 1 . 2]" 1
211 1 12 VAL QG 1 60 MET QG . . 4.570 4.203 4.049 4.437 . 0 0 "[ . 1 . 2]" 1
212 1 12 VAL MG1 1 46 ALA H . . 4.330 3.473 3.300 3.664 . 0 0 "[ . 1 . 2]" 1
213 1 12 VAL MG1 1 46 ALA HA . . 4.040 2.019 1.982 2.047 . 0 0 "[ . 1 . 2]" 1
214 1 12 VAL MG1 1 49 ALA MB . . 2.910 2.988 2.966 3.010 0.100 14 0 "[ . 1 . 2]" 1
215 1 12 VAL MG1 1 60 MET ME . . 3.310 3.125 2.980 3.264 . 0 0 "[ . 1 . 2]" 1
216 1 12 VAL MG2 1 46 ALA H . . 4.330 4.133 3.974 4.258 . 0 0 "[ . 1 . 2]" 1
217 1 12 VAL MG2 1 46 ALA HA . . 4.040 2.663 2.544 2.726 . 0 0 "[ . 1 . 2]" 1
218 1 12 VAL MG2 1 49 ALA MB . . 2.910 1.689 1.682 1.694 . 0 0 "[ . 1 . 2]" 1
219 1 12 VAL MG2 1 60 MET ME . . 3.310 2.721 2.446 2.863 . 0 0 "[ . 1 . 2]" 1
220 1 13 THR H 1 13 THR HB . . 2.820 2.605 2.473 2.731 . 0 0 "[ . 1 . 2]" 1
221 1 13 THR H 1 13 THR MG . . 3.940 3.789 3.773 3.799 . 0 0 "[ . 1 . 2]" 1
222 1 13 THR H 1 14 VAL H . . 4.890 4.467 4.400 4.502 . 0 0 "[ . 1 . 2]" 1
223 1 13 THR H 1 43 ARG HB3 . . 4.940 4.985 4.967 5.000 0.060 19 0 "[ . 1 . 2]" 1
224 1 13 THR H 1 49 ALA MB . . 5.500 5.518 5.488 5.550 0.050 8 0 "[ . 1 . 2]" 1
225 1 13 THR HA 1 13 THR MG . . 3.040 2.305 2.235 2.415 . 0 0 "[ . 1 . 2]" 1
226 1 13 THR HA 1 14 VAL H . . 2.590 2.144 2.142 2.151 . 0 0 "[ . 1 . 2]" 1
227 1 13 THR HA 1 14 VAL HB . . 5.500 4.659 4.469 4.706 . 0 0 "[ . 1 . 2]" 1
228 1 13 THR HA 1 14 VAL MG1 . . 5.500 3.751 3.504 5.438 . 0 0 "[ . 1 . 2]" 1
229 1 13 THR HA 1 14 VAL QG . . 4.820 3.566 3.465 3.986 . 0 0 "[ . 1 . 2]" 1
230 1 13 THR HA 1 14 VAL MG2 . . 5.500 5.335 4.096 5.491 . 0 0 "[ . 1 . 2]" 1
231 1 13 THR HA 1 41 ALA MB . . 5.100 4.673 4.536 4.735 . 0 0 "[ . 1 . 2]" 1
232 1 13 THR HA 1 42 PHE HA . . 5.500 5.361 5.265 5.447 . 0 0 "[ . 1 . 2]" 1
233 1 13 THR HA 1 43 ARG HA . . 3.320 2.445 2.353 2.498 . 0 0 "[ . 1 . 2]" 1
234 1 13 THR HA 1 43 ARG HB3 . . 3.810 3.717 3.644 3.765 . 0 0 "[ . 1 . 2]" 1
235 1 13 THR HA 1 43 ARG QG . . 3.490 2.959 2.808 3.056 . 0 0 "[ . 1 . 2]" 1
236 1 13 THR HA 1 61 GLN HB2 . . 5.500 5.297 5.044 5.496 . 0 0 "[ . 1 . 2]" 1
237 1 13 THR HB 1 14 VAL HA . . 5.410 4.628 4.507 4.813 . 0 0 "[ . 1 . 2]" 1
238 1 13 THR HB 1 41 ALA MB . . 5.250 4.979 4.844 5.111 . 0 0 "[ . 1 . 2]" 1
239 1 13 THR HB 1 43 ARG HA . . 5.500 5.445 5.335 5.502 0.002 17 0 "[ . 1 . 2]" 1
240 1 13 THR HB 1 43 ARG QD . . 5.340 5.339 5.289 5.380 0.040 8 0 "[ . 1 . 2]" 1
241 1 13 THR HB 1 60 MET HB3 . . 5.170 5.036 4.753 5.178 0.008 12 0 "[ . 1 . 2]" 1
242 1 13 THR HB 1 61 GLN HB2 . . 4.790 4.140 3.820 4.447 . 0 0 "[ . 1 . 2]" 1
243 1 13 THR HB 1 61 GLN HB3 . . 3.570 2.947 2.587 3.436 . 0 0 "[ . 1 . 2]" 1
244 1 13 THR HB 1 61 GLN QE . . 5.340 5.302 5.216 5.344 0.004 9 0 "[ . 1 . 2]" 1
245 1 13 THR HB 1 61 GLN QG . . 5.340 4.718 3.986 5.083 . 0 0 "[ . 1 . 2]" 1
246 1 13 THR MG 1 14 VAL H . . 3.220 2.657 2.416 2.960 . 0 0 "[ . 1 . 2]" 1
247 1 13 THR MG 1 14 VAL HA . . 4.070 3.643 3.401 3.791 . 0 0 "[ . 1 . 2]" 1
248 1 13 THR MG 1 14 VAL QG . . 5.130 4.033 3.959 4.187 . 0 0 "[ . 1 . 2]" 1
249 1 13 THR MG 1 15 VAL HA . . 5.500 4.966 4.890 5.009 . 0 0 "[ . 1 . 2]" 1
250 1 13 THR MG 1 41 ALA H . . 5.500 5.483 5.375 5.519 0.019 20 0 "[ . 1 . 2]" 1
251 1 13 THR MG 1 41 ALA HA . . 4.440 4.011 3.950 4.047 . 0 0 "[ . 1 . 2]" 1
252 1 13 THR MG 1 41 ALA MB . . 2.730 2.554 2.436 2.620 . 0 0 "[ . 1 . 2]" 1
253 1 13 THR MG 1 42 PHE HA . . 5.210 4.755 4.636 4.898 . 0 0 "[ . 1 . 2]" 1
254 1 13 THR MG 1 43 ARG HA . . 4.120 3.988 3.841 4.122 0.002 3 0 "[ . 1 . 2]" 1
255 1 13 THR MG 1 43 ARG HB3 . . 5.180 4.878 4.591 5.128 . 0 0 "[ . 1 . 2]" 1
256 1 13 THR MG 1 43 ARG QD . . 4.680 3.917 3.483 4.241 . 0 0 "[ . 1 . 2]" 1
257 1 13 THR MG 1 43 ARG HE . . 4.910 4.445 3.711 4.875 . 0 0 "[ . 1 . 2]" 1
258 1 13 THR MG 1 60 MET HA . . 5.120 4.783 4.466 5.123 0.003 12 0 "[ . 1 . 2]" 1
259 1 13 THR MG 1 61 GLN H . . 4.170 3.276 2.913 3.532 . 0 0 "[ . 1 . 2]" 1
260 1 13 THR MG 1 61 GLN HA . . 4.640 4.400 4.222 4.617 . 0 0 "[ . 1 . 2]" 1
261 1 13 THR MG 1 61 GLN HB2 . . 3.210 2.480 2.169 3.119 . 0 0 "[ . 1 . 2]" 1
262 1 13 THR MG 1 61 GLN HB3 . . 3.340 2.033 1.951 2.173 . 0 0 "[ . 1 . 2]" 1
263 1 13 THR MG 1 61 GLN HE21 . . 4.390 3.428 3.065 3.715 . 0 0 "[ . 1 . 2]" 1
264 1 13 THR MG 1 61 GLN QE . . 3.830 3.041 2.954 3.178 . 0 0 "[ . 1 . 2]" 1
265 1 13 THR MG 1 61 GLN HE22 . . 4.390 3.543 3.198 4.179 . 0 0 "[ . 1 . 2]" 1
266 1 13 THR MG 1 61 GLN HG2 . . 4.360 3.559 2.746 4.121 . 0 0 "[ . 1 . 2]" 1
267 1 13 THR MG 1 61 GLN QG . . 3.800 3.309 2.704 3.587 . 0 0 "[ . 1 . 2]" 1
268 1 13 THR MG 1 61 GLN HG3 . . 4.360 4.032 3.805 4.360 0.000 1 0 "[ . 1 . 2]" 1
269 1 14 VAL H 1 14 VAL HA . . 2.940 2.926 2.913 2.941 0.001 8 0 "[ . 1 . 2]" 1
270 1 14 VAL H 1 14 VAL QG . . 3.730 2.262 2.071 3.097 . 0 0 "[ . 1 . 2]" 1
271 1 14 VAL H 1 15 VAL H . . 4.380 4.265 4.218 4.344 . 0 0 "[ . 1 . 2]" 1
272 1 14 VAL H 1 15 VAL HA . . 4.950 4.692 4.644 4.777 . 0 0 "[ . 1 . 2]" 1
273 1 14 VAL H 1 41 ALA MB . . 4.720 4.156 3.949 4.352 . 0 0 "[ . 1 . 2]" 1
274 1 14 VAL H 1 42 PHE H . . 3.820 3.432 3.359 3.541 . 0 0 "[ . 1 . 2]" 1
275 1 14 VAL H 1 42 PHE HA . . 4.950 4.745 4.687 4.807 . 0 0 "[ . 1 . 2]" 1
276 1 14 VAL H 1 42 PHE QD . . 4.790 4.704 4.630 4.746 . 0 0 "[ . 1 . 2]" 1
277 1 14 VAL H 1 42 PHE QE . . 5.370 5.280 5.214 5.340 . 0 0 "[ . 1 . 2]" 1
278 1 14 VAL H 1 43 ARG HA . . 3.550 3.001 2.913 3.079 . 0 0 "[ . 1 . 2]" 1
279 1 14 VAL H 1 44 VAL H . . 4.300 4.206 4.028 4.303 0.003 17 0 "[ . 1 . 2]" 1
280 1 14 VAL H 1 60 MET HA . . 4.830 4.725 4.667 4.771 . 0 0 "[ . 1 . 2]" 1
281 1 14 VAL H 1 61 GLN H . . 4.480 4.324 3.986 4.481 0.001 3 0 "[ . 1 . 2]" 1
282 1 14 VAL HA 1 14 VAL QG . . 2.950 2.259 2.038 2.322 . 0 0 "[ . 1 . 2]" 1
283 1 14 VAL HA 1 15 VAL H . . 2.850 2.168 2.161 2.181 . 0 0 "[ . 1 . 2]" 1
284 1 14 VAL HA 1 15 VAL HA . . 4.620 4.390 4.388 4.392 . 0 0 "[ . 1 . 2]" 1
285 1 14 VAL HA 1 15 VAL QG . . 3.970 3.523 3.417 3.559 . 0 0 "[ . 1 . 2]" 1
286 1 14 VAL HA 1 41 ALA MB . . 5.500 4.751 4.658 4.858 . 0 0 "[ . 1 . 2]" 1
287 1 14 VAL HA 1 53 THR MG . . 5.500 5.024 4.691 5.215 . 0 0 "[ . 1 . 2]" 1
288 1 14 VAL HA 1 59 ARG H . . 5.180 5.023 4.934 5.115 . 0 0 "[ . 1 . 2]" 1
289 1 14 VAL HA 1 60 MET HA . . 3.520 2.003 1.982 2.069 . 0 0 "[ . 1 . 2]" 1
290 1 14 VAL HA 1 60 MET HB2 . . 5.500 4.964 4.887 5.031 . 0 0 "[ . 1 . 2]" 1
291 1 14 VAL HA 1 60 MET HB3 . . 4.870 4.018 3.951 4.142 . 0 0 "[ . 1 . 2]" 1
292 1 14 VAL HA 1 60 MET ME . . 5.500 4.739 4.319 5.030 . 0 0 "[ . 1 . 2]" 1
293 1 14 VAL HA 1 61 GLN H . . 3.100 2.245 1.949 2.484 . 0 0 "[ . 1 . 2]" 1
294 1 14 VAL HA 1 61 GLN HA . . 5.500 4.610 4.304 4.890 . 0 0 "[ . 1 . 2]" 1
295 1 14 VAL HB 1 15 VAL H . . 4.370 4.122 4.084 4.253 . 0 0 "[ . 1 . 2]" 1
296 1 14 VAL HB 1 49 ALA HA . . 4.600 4.511 4.407 4.628 0.028 12 0 "[ . 1 . 2]" 1
297 1 14 VAL HB 1 52 MET HG3 . . 5.240 5.250 5.195 5.260 0.020 14 0 "[ . 1 . 2]" 1
298 1 14 VAL HB 1 60 MET HA . . 4.050 3.121 2.826 4.118 0.068 9 0 "[ . 1 . 2]" 1
299 1 14 VAL HB 1 60 MET ME . . 4.230 3.436 3.196 4.263 0.033 12 0 "[ . 1 . 2]" 1
300 1 14 VAL QG 1 15 VAL H . . 3.550 2.374 2.124 2.511 . 0 0 "[ . 1 . 2]" 1
301 1 14 VAL QG 1 15 VAL HA . . 4.960 3.473 3.410 3.515 . 0 0 "[ . 1 . 2]" 1
302 1 14 VAL QG 1 15 VAL QG . . 4.030 3.383 3.279 3.455 . 0 0 "[ . 1 . 2]" 1
303 1 14 VAL QG 1 16 ALA H . . 4.700 4.006 3.933 4.059 . 0 0 "[ . 1 . 2]" 1
304 1 14 VAL QG 1 16 ALA HA . . 5.390 3.838 3.792 3.885 . 0 0 "[ . 1 . 2]" 1
305 1 14 VAL QG 1 16 ALA MB . . 4.380 4.145 4.099 4.179 . 0 0 "[ . 1 . 2]" 1
306 1 14 VAL QG 1 17 LEU HG . . 5.440 5.042 4.962 5.169 . 0 0 "[ . 1 . 2]" 1
307 1 14 VAL QG 1 20 LEU QD . . 5.380 4.903 4.789 5.086 . 0 0 "[ . 1 . 2]" 1
308 1 14 VAL QG 1 22 THR MG . . 5.120 4.463 4.377 4.959 . 0 0 "[ . 1 . 2]" 1
309 1 14 VAL QG 1 24 ALA MB . . 5.440 4.623 4.454 5.468 0.028 9 0 "[ . 1 . 2]" 1
310 1 14 VAL QG 1 36 VAL QG . . 4.530 4.014 3.882 4.364 . 0 0 "[ . 1 . 2]" 1
311 1 14 VAL QG 1 41 ALA HA . . 5.240 4.409 4.347 4.713 . 0 0 "[ . 1 . 2]" 1
312 1 14 VAL QG 1 41 ALA MB . . 5.440 4.658 4.574 4.914 . 0 0 "[ . 1 . 2]" 1
313 1 14 VAL QG 1 42 PHE H . . 4.200 3.424 3.307 4.075 . 0 0 "[ . 1 . 2]" 1
314 1 14 VAL QG 1 42 PHE QD . . 3.870 3.159 3.026 3.929 0.059 9 0 "[ . 1 . 2]" 1
315 1 14 VAL QG 1 42 PHE QE . . 3.270 2.623 2.537 2.946 . 0 0 "[ . 1 . 2]" 1
316 1 14 VAL QG 1 43 ARG HA . . 5.440 3.322 3.133 4.461 . 0 0 "[ . 1 . 2]" 1
317 1 14 VAL QG 1 44 VAL HB . . 5.440 4.205 4.041 5.031 . 0 0 "[ . 1 . 2]" 1
318 1 14 VAL QG 1 44 VAL QG . . 3.170 1.894 1.799 2.581 . 0 0 "[ . 1 . 2]" 1
319 1 14 VAL QG 1 49 ALA H . . 5.310 4.650 4.569 4.701 . 0 0 "[ . 1 . 2]" 1
320 1 14 VAL QG 1 49 ALA HA . . 3.470 3.207 3.165 3.257 . 0 0 "[ . 1 . 2]" 1
321 1 14 VAL QG 1 49 ALA MB . . 2.820 2.764 2.086 2.864 0.044 18 0 "[ . 1 . 2]" 1
322 1 14 VAL QG 1 52 MET HB2 . . 4.400 3.058 2.928 3.255 . 0 0 "[ . 1 . 2]" 1
323 1 14 VAL QG 1 52 MET HB3 . . 4.560 3.154 3.018 3.435 . 0 0 "[ . 1 . 2]" 1
324 1 14 VAL QG 1 52 MET ME . . 3.770 3.167 3.106 3.354 . 0 0 "[ . 1 . 2]" 1
325 1 14 VAL QG 1 52 MET HG2 . . 5.440 4.272 4.148 4.974 . 0 0 "[ . 1 . 2]" 1
326 1 14 VAL QG 1 53 THR MG . . 3.280 2.727 2.270 2.885 . 0 0 "[ . 1 . 2]" 1
327 1 14 VAL QG 1 58 ALA HA . . 5.120 3.894 3.841 3.984 . 0 0 "[ . 1 . 2]" 1
328 1 14 VAL QG 1 58 ALA MB . . 2.920 2.005 1.906 2.216 . 0 0 "[ . 1 . 2]" 1
329 1 14 VAL QG 1 59 ARG H . . 4.330 2.961 2.824 3.089 . 0 0 "[ . 1 . 2]" 1
330 1 14 VAL QG 1 60 MET H . . 5.170 3.444 3.181 3.636 . 0 0 "[ . 1 . 2]" 1
331 1 14 VAL QG 1 60 MET HA . . 3.510 2.562 1.889 2.830 . 0 0 "[ . 1 . 2]" 1
332 1 14 VAL QG 1 60 MET HB3 . . 5.040 4.217 2.823 4.486 . 0 0 "[ . 1 . 2]" 1
333 1 14 VAL QG 1 60 MET ME . . 3.610 3.377 1.960 3.603 . 0 0 "[ . 1 . 2]" 1
334 1 14 VAL QG 1 60 MET QG . . 4.560 2.965 2.031 3.206 . 0 0 "[ . 1 . 2]" 1
335 1 14 VAL QG 1 61 GLN H . . 4.470 3.725 2.838 4.009 . 0 0 "[ . 1 . 2]" 1
336 1 14 VAL MG1 1 15 VAL H . . 4.380 3.838 2.485 4.012 . 0 0 "[ . 1 . 2]" 1
337 1 14 VAL MG1 1 49 ALA HA . . 4.500 3.452 3.365 3.911 . 0 0 "[ . 1 . 2]" 1
338 1 14 VAL MG1 1 49 ALA MB . . 4.190 3.038 2.942 3.768 . 0 0 "[ . 1 . 2]" 1
339 1 14 VAL MG1 1 52 MET HB3 . . 5.220 4.010 3.435 4.181 . 0 0 "[ . 1 . 2]" 1
340 1 14 VAL MG1 1 52 MET ME . . 5.060 3.502 3.354 3.595 . 0 0 "[ . 1 . 2]" 1
341 1 14 VAL MG1 1 53 THR MG . . 4.370 4.196 2.694 4.378 0.008 16 0 "[ . 1 . 2]" 1
342 1 14 VAL MG1 1 58 ALA MB . . 3.860 3.371 1.995 3.658 . 0 0 "[ . 1 . 2]" 1
343 1 14 VAL MG1 1 59 ARG H . . 5.390 5.119 3.107 5.394 0.004 14 0 "[ . 1 . 2]" 1
344 1 14 VAL MG1 1 60 MET HA . . 4.520 4.204 2.752 4.456 . 0 0 "[ . 1 . 2]" 1
345 1 14 VAL MG1 1 60 MET ME . . 4.710 4.182 3.816 4.329 . 0 0 "[ . 1 . 2]" 1
346 1 14 VAL MG2 1 15 VAL H . . 4.380 2.525 2.133 3.816 . 0 0 "[ . 1 . 2]" 1
347 1 14 VAL MG2 1 49 ALA HA . . 4.500 3.880 3.367 4.063 . 0 0 "[ . 1 . 2]" 1
348 1 14 VAL MG2 1 49 ALA MB . . 4.190 3.489 2.097 3.725 . 0 0 "[ . 1 . 2]" 1
349 1 14 VAL MG2 1 52 MET HB3 . . 5.220 3.415 3.108 4.945 . 0 0 "[ . 1 . 2]" 1
350 1 14 VAL MG2 1 52 MET ME . . 5.060 3.695 3.466 4.981 . 0 0 "[ . 1 . 2]" 1
351 1 14 VAL MG2 1 53 THR MG . . 4.370 2.772 2.443 2.927 . 0 0 "[ . 1 . 2]" 1
352 1 14 VAL MG2 1 58 ALA MB . . 3.860 2.206 1.915 3.892 0.032 9 0 "[ . 1 . 2]" 1
353 1 14 VAL MG2 1 59 ARG H . . 5.390 3.175 2.837 5.115 . 0 0 "[ . 1 . 2]" 1
354 1 14 VAL MG2 1 60 MET HA . . 4.520 2.586 1.924 2.864 . 0 0 "[ . 1 . 2]" 1
355 1 14 VAL MG2 1 60 MET ME . . 4.710 3.611 1.966 3.917 . 0 0 "[ . 1 . 2]" 1
356 1 15 VAL H 1 15 VAL QG . . 3.150 2.025 1.942 2.043 . 0 0 "[ . 1 . 2]" 1
357 1 15 VAL H 1 16 ALA H . . 4.630 4.433 4.413 4.450 . 0 0 "[ . 1 . 2]" 1
358 1 15 VAL H 1 41 ALA HA . . 4.770 4.093 4.034 4.197 . 0 0 "[ . 1 . 2]" 1
359 1 15 VAL H 1 41 ALA MB . . 4.650 4.303 4.201 4.472 . 0 0 "[ . 1 . 2]" 1
360 1 15 VAL H 1 42 PHE H . . 5.020 4.601 4.569 4.643 . 0 0 "[ . 1 . 2]" 1
361 1 15 VAL H 1 58 ALA HA . . 5.500 5.394 5.312 5.504 0.004 13 0 "[ . 1 . 2]" 1
362 1 15 VAL H 1 58 ALA MB . . 4.280 4.142 4.001 4.284 0.004 5 0 "[ . 1 . 2]" 1
363 1 15 VAL H 1 59 ARG H . . 3.580 3.560 3.493 3.584 0.004 20 0 "[ . 1 . 2]" 1
364 1 15 VAL H 1 59 ARG QB . . 5.340 4.350 4.235 4.517 . 0 0 "[ . 1 . 2]" 1
365 1 15 VAL H 1 60 MET HA . . 3.830 3.206 3.119 3.386 . 0 0 "[ . 1 . 2]" 1
366 1 15 VAL H 1 61 GLN H . . 3.680 3.196 2.754 3.555 . 0 0 "[ . 1 . 2]" 1
367 1 15 VAL H 1 61 GLN HA . . 4.850 4.203 3.809 4.537 . 0 0 "[ . 1 . 2]" 1
368 1 15 VAL H 1 61 GLN HB2 . . 4.520 3.523 2.756 3.845 . 0 0 "[ . 1 . 2]" 1
369 1 15 VAL H 1 61 GLN HB3 . . 5.500 4.897 4.189 5.141 . 0 0 "[ . 1 . 2]" 1
370 1 15 VAL HA 1 15 VAL QG . . 2.840 2.341 2.335 2.354 . 0 0 "[ . 1 . 2]" 1
371 1 15 VAL HA 1 16 ALA H . . 2.750 2.164 2.158 2.167 . 0 0 "[ . 1 . 2]" 1
372 1 15 VAL HA 1 16 ALA MB . . 5.060 3.945 3.921 3.987 . 0 0 "[ . 1 . 2]" 1
373 1 15 VAL HA 1 40 THR H . . 4.970 4.820 4.717 4.840 . 0 0 "[ . 1 . 2]" 1
374 1 15 VAL HA 1 40 THR MG . . 5.240 4.778 4.628 4.875 . 0 0 "[ . 1 . 2]" 1
375 1 15 VAL HA 1 41 ALA H . . 4.760 4.543 4.488 4.629 . 0 0 "[ . 1 . 2]" 1
376 1 15 VAL HA 1 41 ALA HA . . 2.930 2.060 1.998 2.150 . 0 0 "[ . 1 . 2]" 1
377 1 15 VAL HA 1 41 ALA MB . . 3.770 3.564 3.515 3.645 . 0 0 "[ . 1 . 2]" 1
378 1 15 VAL HA 1 42 PHE H . . 3.320 2.693 2.634 2.748 . 0 0 "[ . 1 . 2]" 1
379 1 15 VAL HA 1 42 PHE QD . . 4.260 2.960 2.893 3.002 . 0 0 "[ . 1 . 2]" 1
380 1 15 VAL HA 1 42 PHE QE . . 4.960 3.141 3.052 3.196 . 0 0 "[ . 1 . 2]" 1
381 1 15 VAL HA 1 58 ALA MB . . 5.500 4.455 4.381 4.514 . 0 0 "[ . 1 . 2]" 1
382 1 15 VAL HB 1 16 ALA H . . 4.100 4.048 4.033 4.066 . 0 0 "[ . 1 . 2]" 1
383 1 15 VAL HB 1 39 GLY H . . 5.500 5.473 5.428 5.530 0.030 12 0 "[ . 1 . 2]" 1
384 1 15 VAL HB 1 41 ALA H . . 4.200 4.045 3.990 4.143 . 0 0 "[ . 1 . 2]" 1
385 1 15 VAL HB 1 41 ALA HA . . 4.650 2.225 2.210 2.249 . 0 0 "[ . 1 . 2]" 1
386 1 15 VAL HB 1 41 ALA MB . . 4.110 2.371 2.238 2.488 . 0 0 "[ . 1 . 2]" 1
387 1 15 VAL HB 1 61 GLN HA . . 5.060 4.691 4.296 5.064 0.004 9 0 "[ . 1 . 2]" 1
388 1 15 VAL QG 1 16 ALA H . . 3.080 2.251 2.225 2.299 . 0 0 "[ . 1 . 2]" 1
389 1 15 VAL QG 1 16 ALA HA . . 4.270 3.741 3.724 3.758 . 0 0 "[ . 1 . 2]" 1
390 1 15 VAL QG 1 16 ALA MB . . 4.020 3.425 3.400 3.449 . 0 0 "[ . 1 . 2]" 1
391 1 15 VAL QG 1 39 GLY H . . 3.460 2.648 2.611 2.701 . 0 0 "[ . 1 . 2]" 1
392 1 15 VAL QG 1 39 GLY HA2 . . 3.220 2.683 2.638 2.826 . 0 0 "[ . 1 . 2]" 1
393 1 15 VAL QG 1 39 GLY HA3 . . 4.120 3.813 3.762 3.963 . 0 0 "[ . 1 . 2]" 1
394 1 15 VAL QG 1 40 THR H . . 3.840 2.789 2.681 2.811 . 0 0 "[ . 1 . 2]" 1
395 1 15 VAL QG 1 40 THR HA . . 4.300 3.458 3.409 3.572 . 0 0 "[ . 1 . 2]" 1
396 1 15 VAL QG 1 40 THR HB . . 5.060 4.079 4.056 4.111 . 0 0 "[ . 1 . 2]" 1
397 1 15 VAL QG 1 41 ALA H . . 3.790 3.595 3.526 3.731 . 0 0 "[ . 1 . 2]" 1
398 1 15 VAL QG 1 41 ALA HA . . 3.230 2.953 2.930 3.001 . 0 0 "[ . 1 . 2]" 1
399 1 15 VAL QG 1 41 ALA MB . . 3.110 2.994 2.947 3.054 . 0 0 "[ . 1 . 2]" 1
400 1 15 VAL QG 1 42 PHE H . . 4.390 4.144 4.109 4.174 . 0 0 "[ . 1 . 2]" 1
401 1 15 VAL QG 1 42 PHE QD . . 4.710 4.064 4.049 4.092 . 0 0 "[ . 1 . 2]" 1
402 1 15 VAL QG 1 42 PHE QE . . 5.350 3.972 3.950 3.998 . 0 0 "[ . 1 . 2]" 1
403 1 15 VAL QG 1 60 MET H . . 5.440 4.746 4.634 4.964 . 0 0 "[ . 1 . 2]" 1
404 1 15 VAL QG 1 61 GLN H . . 3.910 3.312 2.839 3.659 . 0 0 "[ . 1 . 2]" 1
405 1 15 VAL QG 1 61 GLN HA . . 3.090 2.600 2.215 3.033 . 0 0 "[ . 1 . 2]" 1
406 1 15 VAL QG 1 61 GLN HB2 . . 3.280 2.475 1.970 2.793 . 0 0 "[ . 1 . 2]" 1
407 1 15 VAL QG 1 61 GLN HB3 . . 4.130 3.919 3.538 4.105 . 0 0 "[ . 1 . 2]" 1
408 1 15 VAL QG 1 61 GLN QE . . 4.270 3.456 3.320 3.655 . 0 0 "[ . 1 . 2]" 1
409 1 15 VAL QG 1 61 GLN QG . . 3.270 3.156 2.348 3.271 0.001 12 0 "[ . 1 . 2]" 1
410 1 15 VAL MG1 1 16 ALA HA . . 5.160 4.589 4.563 4.634 . 0 0 "[ . 1 . 2]" 1
411 1 15 VAL MG1 1 41 ALA HA . . 3.710 3.803 3.791 3.832 0.122 20 0 "[ . 1 . 2]" 1
412 1 15 VAL MG1 1 41 ALA MB . . 3.830 3.408 3.334 3.515 . 0 0 "[ . 1 . 2]" 1
413 1 15 VAL MG1 1 42 PHE H . . 5.060 4.991 4.972 5.006 . 0 0 "[ . 1 . 2]" 1
414 1 15 VAL MG1 1 61 GLN HE21 . . 5.500 4.012 3.583 4.797 . 0 0 "[ . 1 . 2]" 1
415 1 15 VAL MG1 1 61 GLN HE22 . . 5.500 4.762 4.150 5.127 . 0 0 "[ . 1 . 2]" 1
416 1 15 VAL MG2 1 16 ALA HA . . 5.160 3.964 3.944 3.974 . 0 0 "[ . 1 . 2]" 1
417 1 15 VAL MG2 1 41 ALA HA . . 3.710 3.078 3.047 3.136 . 0 0 "[ . 1 . 2]" 1
418 1 15 VAL MG2 1 41 ALA MB . . 3.830 3.321 3.225 3.387 . 0 0 "[ . 1 . 2]" 1
419 1 15 VAL MG2 1 42 PHE H . . 5.060 4.428 4.381 4.482 . 0 0 "[ . 1 . 2]" 1
420 1 15 VAL MG2 1 61 GLN HE21 . . 5.500 4.711 4.064 5.500 0.000 12 0 "[ . 1 . 2]" 1
421 1 15 VAL MG2 1 61 GLN HE22 . . 5.500 5.053 4.218 5.504 0.004 9 0 "[ . 1 . 2]" 1
422 1 16 ALA H 1 16 ALA MB . . 2.950 2.148 2.094 2.236 . 0 0 "[ . 1 . 2]" 1
423 1 16 ALA H 1 17 LEU H . . 4.640 4.614 4.590 4.631 . 0 0 "[ . 1 . 2]" 1
424 1 16 ALA H 1 36 VAL MG1 . . 4.840 4.103 4.064 4.140 . 0 0 "[ . 1 . 2]" 1
425 1 16 ALA H 1 36 VAL QG . . 4.150 3.649 3.595 3.681 . 0 0 "[ . 1 . 2]" 1
426 1 16 ALA H 1 36 VAL MG2 . . 4.840 4.090 4.008 4.144 . 0 0 "[ . 1 . 2]" 1
427 1 16 ALA H 1 38 PRO HA . . 5.070 4.831 4.764 4.878 . 0 0 "[ . 1 . 2]" 1
428 1 16 ALA H 1 39 GLY H . . 4.050 3.845 3.787 3.998 . 0 0 "[ . 1 . 2]" 1
429 1 16 ALA H 1 40 THR H . . 3.830 3.837 3.798 3.851 0.021 18 0 "[ . 1 . 2]" 1
430 1 16 ALA H 1 40 THR MG . . 5.250 4.827 4.714 4.901 . 0 0 "[ . 1 . 2]" 1
431 1 16 ALA H 1 41 ALA HA . . 3.900 3.846 3.788 3.913 0.013 20 0 "[ . 1 . 2]" 1
432 1 16 ALA H 1 41 ALA MB . . 5.300 5.154 5.111 5.214 . 0 0 "[ . 1 . 2]" 1
433 1 16 ALA H 1 42 PHE H . . 4.250 4.098 4.001 4.162 . 0 0 "[ . 1 . 2]" 1
434 1 16 ALA H 1 42 PHE QD . . 3.510 2.952 2.864 2.990 . 0 0 "[ . 1 . 2]" 1
435 1 16 ALA H 1 42 PHE QE . . 3.510 2.115 2.092 2.161 . 0 0 "[ . 1 . 2]" 1
436 1 16 ALA H 1 58 ALA MB . . 4.420 3.795 3.698 3.852 . 0 0 "[ . 1 . 2]" 1
437 1 16 ALA H 1 59 ARG H . . 5.100 4.830 4.730 4.997 . 0 0 "[ . 1 . 2]" 1
438 1 16 ALA HA 1 17 LEU H . . 2.810 2.232 2.192 2.311 . 0 0 "[ . 1 . 2]" 1
439 1 16 ALA HA 1 17 LEU MD2 . . 4.730 3.781 3.364 3.991 . 0 0 "[ . 1 . 2]" 1
440 1 16 ALA HA 1 17 LEU HG . . 4.490 3.431 3.334 3.485 . 0 0 "[ . 1 . 2]" 1
441 1 16 ALA HA 1 18 VAL H . . 3.950 3.812 3.768 3.901 . 0 0 "[ . 1 . 2]" 1
442 1 16 ALA HA 1 36 VAL MG1 . . 5.500 5.544 5.464 5.563 0.063 2 0 "[ . 1 . 2]" 1
443 1 16 ALA HA 1 36 VAL QG . . 4.620 4.145 4.024 4.194 . 0 0 "[ . 1 . 2]" 1
444 1 16 ALA HA 1 36 VAL MG2 . . 5.500 4.279 4.142 4.339 . 0 0 "[ . 1 . 2]" 1
445 1 16 ALA HA 1 42 PHE QD . . 5.210 5.182 5.078 5.226 0.016 20 0 "[ . 1 . 2]" 1
446 1 16 ALA HA 1 42 PHE QE . . 3.620 3.073 2.991 3.125 . 0 0 "[ . 1 . 2]" 1
447 1 16 ALA HA 1 52 MET ME . . 5.070 4.552 4.491 4.627 . 0 0 "[ . 1 . 2]" 1
448 1 16 ALA HA 1 58 ALA HA . . 3.400 2.154 2.070 2.257 . 0 0 "[ . 1 . 2]" 1
449 1 16 ALA HA 1 58 ALA MB . . 3.320 1.967 1.950 2.017 . 0 0 "[ . 1 . 2]" 1
450 1 16 ALA HA 1 59 ARG H . . 3.980 3.319 3.184 3.482 . 0 0 "[ . 1 . 2]" 1
451 1 16 ALA MB 1 17 LEU H . . 3.380 2.851 2.612 2.985 . 0 0 "[ . 1 . 2]" 1
452 1 16 ALA MB 1 17 LEU HA . . 5.500 4.184 4.122 4.240 . 0 0 "[ . 1 . 2]" 1
453 1 16 ALA MB 1 18 VAL H . . 3.380 2.994 2.705 3.179 . 0 0 "[ . 1 . 2]" 1
454 1 16 ALA MB 1 18 VAL QG . . 4.570 3.860 3.778 3.944 . 0 0 "[ . 1 . 2]" 1
455 1 16 ALA MB 1 20 LEU H . . 4.030 3.726 3.689 3.857 . 0 0 "[ . 1 . 2]" 1
456 1 16 ALA MB 1 20 LEU HA . . 5.500 5.527 5.497 5.562 0.062 19 0 "[ . 1 . 2]" 1
457 1 16 ALA MB 1 20 LEU HB3 . . 3.980 3.200 3.173 3.235 . 0 0 "[ . 1 . 2]" 1
458 1 16 ALA MB 1 20 LEU QD . . 4.330 3.527 3.456 3.558 . 0 0 "[ . 1 . 2]" 1
459 1 16 ALA MB 1 36 VAL H . . 4.780 4.573 4.490 4.639 . 0 0 "[ . 1 . 2]" 1
460 1 16 ALA MB 1 36 VAL HA . . 4.920 4.482 4.346 4.533 . 0 0 "[ . 1 . 2]" 1
461 1 16 ALA MB 1 36 VAL MG1 . . 3.350 3.336 3.310 3.373 0.023 16 0 "[ . 1 . 2]" 1
462 1 16 ALA MB 1 36 VAL QG . . 2.770 2.241 2.144 2.293 . 0 0 "[ . 1 . 2]" 1
463 1 16 ALA MB 1 36 VAL MG2 . . 3.350 2.278 2.171 2.335 . 0 0 "[ . 1 . 2]" 1
464 1 16 ALA MB 1 37 LEU HA . . 4.350 3.870 3.723 3.960 . 0 0 "[ . 1 . 2]" 1
465 1 16 ALA MB 1 38 PRO HA . . 3.150 2.892 2.809 3.042 . 0 0 "[ . 1 . 2]" 1
466 1 16 ALA MB 1 39 GLY H . . 3.350 3.307 3.263 3.403 0.053 11 0 "[ . 1 . 2]" 1
467 1 16 ALA MB 1 40 THR H . . 3.780 3.746 3.643 3.798 0.018 4 0 "[ . 1 . 2]" 1
468 1 16 ALA MB 1 40 THR HB . . 4.090 4.073 3.985 4.106 0.016 19 0 "[ . 1 . 2]" 1
469 1 16 ALA MB 1 42 PHE QD . . 3.680 3.460 3.294 3.626 . 0 0 "[ . 1 . 2]" 1
470 1 16 ALA MB 1 42 PHE QE . . 3.110 1.985 1.964 2.114 . 0 0 "[ . 1 . 2]" 1
471 1 16 ALA MB 1 58 ALA HA . . 4.100 3.668 3.568 3.769 . 0 0 "[ . 1 . 2]" 1
472 1 16 ALA MB 1 58 ALA MB . . 3.650 2.826 2.750 3.023 . 0 0 "[ . 1 . 2]" 1
473 1 17 LEU H 1 17 LEU HB2 . . 3.160 2.741 2.686 2.780 . 0 0 "[ . 1 . 2]" 1
474 1 17 LEU H 1 17 LEU MD1 . . 3.950 3.711 3.617 3.920 . 0 0 "[ . 1 . 2]" 1
475 1 17 LEU H 1 17 LEU MD2 . . 3.700 3.227 3.126 3.374 . 0 0 "[ . 1 . 2]" 1
476 1 17 LEU H 1 17 LEU HG . . 3.450 2.251 2.099 2.438 . 0 0 "[ . 1 . 2]" 1
477 1 17 LEU H 1 18 VAL H . . 2.910 2.099 2.001 2.203 . 0 0 "[ . 1 . 2]" 1
478 1 17 LEU H 1 18 VAL QG . . 3.880 3.355 3.228 3.482 . 0 0 "[ . 1 . 2]" 1
479 1 17 LEU H 1 42 PHE QE . . 5.450 5.188 5.105 5.265 . 0 0 "[ . 1 . 2]" 1
480 1 17 LEU H 1 58 ALA H . . 4.620 4.452 4.359 4.540 . 0 0 "[ . 1 . 2]" 1
481 1 17 LEU H 1 58 ALA HA . . 3.130 2.225 2.043 2.442 . 0 0 "[ . 1 . 2]" 1
482 1 17 LEU H 1 58 ALA MB . . 3.760 3.316 3.263 3.382 . 0 0 "[ . 1 . 2]" 1
483 1 17 LEU H 1 59 ARG H . . 4.740 3.957 3.699 4.231 . 0 0 "[ . 1 . 2]" 1
484 1 17 LEU HA 1 17 LEU HB3 . . 2.980 2.331 2.319 2.354 . 0 0 "[ . 1 . 2]" 1
485 1 17 LEU HA 1 17 LEU MD1 . . 4.090 3.944 3.881 3.973 . 0 0 "[ . 1 . 2]" 1
486 1 17 LEU HA 1 17 LEU MD2 . . 2.850 2.257 2.077 2.457 . 0 0 "[ . 1 . 2]" 1
487 1 17 LEU HA 1 17 LEU HG . . 3.580 3.351 3.288 3.460 . 0 0 "[ . 1 . 2]" 1
488 1 17 LEU HA 1 18 VAL QG . . 4.250 3.987 3.910 4.056 . 0 0 "[ . 1 . 2]" 1
489 1 17 LEU HA 1 38 PRO HA . . 4.730 3.038 2.921 3.185 . 0 0 "[ . 1 . 2]" 1
490 1 17 LEU HA 1 38 PRO HB2 . . 4.540 4.024 3.915 4.189 . 0 0 "[ . 1 . 2]" 1
491 1 17 LEU HA 1 38 PRO HB3 . . 4.780 3.802 3.558 4.024 . 0 0 "[ . 1 . 2]" 1
492 1 17 LEU HA 1 39 GLY H . . 4.620 4.054 3.964 4.164 . 0 0 "[ . 1 . 2]" 1
493 1 17 LEU HA 1 58 ALA HA . . 5.020 4.573 4.515 4.639 . 0 0 "[ . 1 . 2]" 1
494 1 17 LEU HA 1 58 ALA MB . . 5.500 5.519 5.510 5.535 0.035 9 0 "[ . 1 . 2]" 1
495 1 17 LEU HB2 1 17 LEU MD1 . . 3.040 2.302 2.214 2.435 . 0 0 "[ . 1 . 2]" 1
496 1 17 LEU HB2 1 18 VAL H . . 3.460 3.091 2.929 3.304 . 0 0 "[ . 1 . 2]" 1
497 1 17 LEU HB2 1 18 VAL QG . . 3.460 2.609 2.523 2.679 . 0 0 "[ . 1 . 2]" 1
498 1 17 LEU HB2 1 58 ALA HA . . 4.400 3.922 3.776 4.001 . 0 0 "[ . 1 . 2]" 1
499 1 17 LEU HB3 1 17 LEU MD1 . . 2.910 2.336 2.215 2.405 . 0 0 "[ . 1 . 2]" 1
500 1 17 LEU HB3 1 17 LEU MD2 . . 3.300 2.313 2.191 2.398 . 0 0 "[ . 1 . 2]" 1
501 1 17 LEU MD1 1 56 GLY H . . 5.500 5.498 5.396 5.510 0.010 17 0 "[ . 1 . 2]" 1
502 1 17 LEU MD1 1 56 GLY HA2 . . 4.310 4.140 3.811 4.248 . 0 0 "[ . 1 . 2]" 1
503 1 17 LEU MD1 1 56 GLY HA3 . . 5.190 5.091 4.550 5.194 0.004 8 0 "[ . 1 . 2]" 1
504 1 17 LEU MD1 1 57 LEU H . . 4.870 4.585 4.361 4.872 0.002 11 0 "[ . 1 . 2]" 1
505 1 17 LEU MD1 1 57 LEU HA . . 4.430 3.872 3.641 4.072 . 0 0 "[ . 1 . 2]" 1
506 1 17 LEU MD1 1 58 ALA H . . 3.940 3.810 3.678 3.922 . 0 0 "[ . 1 . 2]" 1
507 1 17 LEU MD1 1 58 ALA HA . . 3.720 3.318 3.208 3.492 . 0 0 "[ . 1 . 2]" 1
508 1 17 LEU MD1 1 59 ARG H . . 4.420 3.577 3.448 3.671 . 0 0 "[ . 1 . 2]" 1
509 1 17 LEU MD1 1 59 ARG HA . . 4.330 3.954 3.650 4.254 . 0 0 "[ . 1 . 2]" 1
510 1 17 LEU MD1 1 59 ARG HB2 . . 4.130 2.050 1.934 2.324 . 0 0 "[ . 1 . 2]" 1
511 1 17 LEU MD1 1 59 ARG QB . . 3.510 2.027 1.917 2.276 . 0 0 "[ . 1 . 2]" 1
512 1 17 LEU MD1 1 59 ARG HB3 . . 4.130 3.255 2.976 3.551 . 0 0 "[ . 1 . 2]" 1
513 1 17 LEU MD1 1 59 ARG QD . . 4.020 2.880 2.166 3.770 . 0 0 "[ . 1 . 2]" 1
514 1 17 LEU MD1 1 59 ARG QG . . 3.890 3.499 2.768 3.882 . 0 0 "[ . 1 . 2]" 1
515 1 17 LEU MD2 1 58 ALA HA . . 3.790 3.228 2.800 3.353 . 0 0 "[ . 1 . 2]" 1
516 1 17 LEU MD2 1 59 ARG H . . 3.740 2.508 2.179 2.792 . 0 0 "[ . 1 . 2]" 1
517 1 17 LEU MD2 1 59 ARG HA . . 4.510 4.095 3.804 4.335 . 0 0 "[ . 1 . 2]" 1
518 1 17 LEU MD2 1 59 ARG QB . . 3.370 1.953 1.818 2.286 . 0 0 "[ . 1 . 2]" 1
519 1 17 LEU MD2 1 59 ARG QD . . 3.480 3.018 2.695 3.317 . 0 0 "[ . 1 . 2]" 1
520 1 17 LEU MD2 1 59 ARG QG . . 4.060 3.745 3.513 4.062 0.002 19 0 "[ . 1 . 2]" 1
521 1 17 LEU HG 1 18 VAL H . . 4.230 4.040 3.905 4.180 . 0 0 "[ . 1 . 2]" 1
522 1 17 LEU HG 1 57 LEU H . . 5.500 5.505 5.503 5.509 0.009 8 0 "[ . 1 . 2]" 1
523 1 17 LEU HG 1 58 ALA H . . 4.310 4.057 3.804 4.156 . 0 0 "[ . 1 . 2]" 1
524 1 17 LEU HG 1 58 ALA HA . . 3.300 1.995 1.990 1.999 . 0 0 "[ . 1 . 2]" 1
525 1 17 LEU HG 1 59 ARG H . . 3.700 2.776 2.627 2.985 . 0 0 "[ . 1 . 2]" 1
526 1 18 VAL H 1 18 VAL MG1 . . 3.460 3.198 3.022 3.394 . 0 0 "[ . 1 . 2]" 1
527 1 18 VAL H 1 18 VAL QG . . 2.950 2.240 2.111 2.377 . 0 0 "[ . 1 . 2]" 1
528 1 18 VAL H 1 18 VAL MG2 . . 3.460 2.288 2.153 2.427 . 0 0 "[ . 1 . 2]" 1
529 1 18 VAL H 1 19 LYS H . . 4.490 4.410 4.379 4.435 . 0 0 "[ . 1 . 2]" 1
530 1 18 VAL H 1 20 LEU QD . . 4.920 4.710 4.676 4.756 . 0 0 "[ . 1 . 2]" 1
531 1 18 VAL H 1 38 PRO HA . . 4.480 3.539 3.412 3.692 . 0 0 "[ . 1 . 2]" 1
532 1 18 VAL H 1 38 PRO HB3 . . 4.170 3.577 3.429 3.751 . 0 0 "[ . 1 . 2]" 1
533 1 18 VAL H 1 58 ALA HA . . 4.660 4.169 4.002 4.381 . 0 0 "[ . 1 . 2]" 1
534 1 18 VAL HA 1 18 VAL MG1 . . 3.530 2.234 2.133 2.351 . 0 0 "[ . 1 . 2]" 1
535 1 18 VAL HA 1 18 VAL QG . . 2.940 2.192 2.103 2.293 . 0 0 "[ . 1 . 2]" 1
536 1 18 VAL HA 1 18 VAL MG2 . . 3.530 3.192 3.182 3.201 . 0 0 "[ . 1 . 2]" 1
537 1 18 VAL HA 1 19 LYS H . . 2.860 2.330 2.310 2.363 . 0 0 "[ . 1 . 2]" 1
538 1 18 VAL HA 1 38 PRO HA . . 4.680 3.760 3.708 3.786 . 0 0 "[ . 1 . 2]" 1
539 1 18 VAL HA 1 38 PRO HB3 . . 3.760 1.960 1.954 1.969 . 0 0 "[ . 1 . 2]" 1
540 1 18 VAL HA 1 38 PRO HD3 . . 4.930 3.648 3.153 3.856 . 0 0 "[ . 1 . 2]" 1
541 1 18 VAL HA 1 38 PRO HG2 . . 4.730 4.568 4.329 4.678 . 0 0 "[ . 1 . 2]" 1
542 1 18 VAL HA 1 38 PRO HG3 . . 3.770 3.227 2.899 3.400 . 0 0 "[ . 1 . 2]" 1
543 1 18 VAL HB 1 19 LYS H . . 2.930 2.558 2.474 2.610 . 0 0 "[ . 1 . 2]" 1
544 1 18 VAL HB 1 57 LEU HA . . 5.500 5.258 5.091 5.449 . 0 0 "[ . 1 . 2]" 1
545 1 18 VAL HB 1 57 LEU QD . . 4.760 4.080 3.839 4.401 . 0 0 "[ . 1 . 2]" 1
546 1 18 VAL QG 1 19 LYS H . . 3.400 3.236 3.189 3.271 . 0 0 "[ . 1 . 2]" 1
547 1 18 VAL QG 1 19 LYS QB . . 4.910 4.236 4.161 4.366 . 0 0 "[ . 1 . 2]" 1
548 1 18 VAL QG 1 20 LEU H . . 4.410 4.310 4.181 4.422 0.012 11 0 "[ . 1 . 2]" 1
549 1 18 VAL QG 1 20 LEU HB2 . . 3.560 2.977 2.816 3.125 . 0 0 "[ . 1 . 2]" 1
550 1 18 VAL QG 1 38 PRO HB3 . . 4.420 3.417 3.175 3.560 . 0 0 "[ . 1 . 2]" 1
551 1 18 VAL QG 1 38 PRO HG3 . . 5.100 4.406 3.995 4.620 . 0 0 "[ . 1 . 2]" 1
552 1 18 VAL QG 1 57 LEU HA . . 3.260 2.298 2.134 2.479 . 0 0 "[ . 1 . 2]" 1
553 1 18 VAL QG 1 57 LEU HB2 . . 4.850 3.612 3.473 3.975 . 0 0 "[ . 1 . 2]" 1
554 1 18 VAL QG 1 57 LEU HB3 . . 3.330 2.251 2.097 2.632 . 0 0 "[ . 1 . 2]" 1
555 1 18 VAL MG1 1 19 LYS H . . 3.920 3.590 3.498 3.699 . 0 0 "[ . 1 . 2]" 1
556 1 18 VAL MG1 1 38 PRO HB3 . . 5.450 3.535 3.249 3.713 . 0 0 "[ . 1 . 2]" 1
557 1 18 VAL MG1 1 57 LEU HA . . 4.250 3.879 3.612 4.210 . 0 0 "[ . 1 . 2]" 1
558 1 18 VAL MG2 1 19 LYS H . . 3.920 3.683 3.570 3.744 . 0 0 "[ . 1 . 2]" 1
559 1 18 VAL MG2 1 38 PRO HB3 . . 5.450 4.532 4.469 4.576 . 0 0 "[ . 1 . 2]" 1
560 1 18 VAL MG2 1 57 LEU HA . . 4.250 2.315 2.145 2.497 . 0 0 "[ . 1 . 2]" 1
561 1 19 LYS H 1 19 LYS HB2 . . 3.640 2.321 2.216 2.686 . 0 0 "[ . 1 . 2]" 1
562 1 19 LYS H 1 19 LYS QB . . 2.920 2.289 2.194 2.614 . 0 0 "[ . 1 . 2]" 1
563 1 19 LYS H 1 19 LYS HB3 . . 3.640 3.539 3.513 3.590 . 0 0 "[ . 1 . 2]" 1
564 1 19 LYS H 1 19 LYS QE . . 5.030 4.708 3.894 5.034 0.004 6 0 "[ . 1 . 2]" 1
565 1 19 LYS H 1 19 LYS HG2 . . 3.890 3.026 2.070 3.962 0.072 7 0 "[ . 1 . 2]" 1
566 1 19 LYS H 1 19 LYS QG . . 3.120 2.728 2.018 3.135 0.015 16 0 "[ . 1 . 2]" 1
567 1 19 LYS H 1 19 LYS HG3 . . 3.890 3.168 2.725 3.356 . 0 0 "[ . 1 . 2]" 1
568 1 19 LYS H 1 38 PRO HD2 . . 4.740 4.661 4.411 4.723 . 0 0 "[ . 1 . 2]" 1
569 1 19 LYS H 1 38 PRO HD3 . . 3.990 3.038 2.824 3.093 . 0 0 "[ . 1 . 2]" 1
570 1 19 LYS H 1 38 PRO HG3 . . 3.730 3.257 3.173 3.293 . 0 0 "[ . 1 . 2]" 1
571 1 19 LYS HA 1 19 LYS QD . . 3.890 3.225 2.997 3.707 . 0 0 "[ . 1 . 2]" 1
572 1 19 LYS HA 1 19 LYS QE . . 4.720 4.020 2.125 4.581 . 0 0 "[ . 1 . 2]" 1
573 1 19 LYS HA 1 19 LYS HG2 . . 3.820 2.384 2.161 3.526 . 0 0 "[ . 1 . 2]" 1
574 1 19 LYS HA 1 19 LYS QG . . 3.320 2.233 2.140 2.589 . 0 0 "[ . 1 . 2]" 1
575 1 19 LYS HA 1 19 LYS HG3 . . 3.820 3.408 2.266 3.791 . 0 0 "[ . 1 . 2]" 1
576 1 19 LYS HA 1 20 LEU H . . 2.680 2.174 2.162 2.180 . 0 0 "[ . 1 . 2]" 1
577 1 19 LYS HA 1 36 VAL H . . 5.500 5.513 5.466 5.543 0.043 20 0 "[ . 1 . 2]" 1
578 1 19 LYS HA 1 36 VAL QG . . 5.440 4.644 4.564 4.690 . 0 0 "[ . 1 . 2]" 1
579 1 19 LYS HA 1 37 LEU HA . . 3.540 2.820 2.598 2.873 . 0 0 "[ . 1 . 2]" 1
580 1 19 LYS HA 1 37 LEU MD1 . . 4.850 3.345 3.162 4.462 . 0 0 "[ . 1 . 2]" 1
581 1 19 LYS HA 1 37 LEU QD . . 4.250 3.141 3.006 3.988 . 0 0 "[ . 1 . 2]" 1
582 1 19 LYS HA 1 37 LEU MD2 . . 4.850 3.836 3.614 4.491 . 0 0 "[ . 1 . 2]" 1
583 1 19 LYS HA 1 38 PRO HD2 . . 4.070 3.900 3.816 3.924 . 0 0 "[ . 1 . 2]" 1
584 1 19 LYS HA 1 38 PRO HD3 . . 3.670 2.429 2.308 2.563 . 0 0 "[ . 1 . 2]" 1
585 1 19 LYS HA 1 38 PRO HG3 . . 5.050 4.315 4.197 4.540 . 0 0 "[ . 1 . 2]" 1
586 1 19 LYS QB 1 19 LYS QD . . 2.880 2.065 1.950 2.275 . 0 0 "[ . 1 . 2]" 1
587 1 19 LYS QB 1 19 LYS QE . . 3.600 3.178 2.119 3.615 0.015 16 0 "[ . 1 . 2]" 1
588 1 19 LYS QB 1 37 LEU HA . . 4.700 4.604 4.214 4.706 0.006 1 0 "[ . 1 . 2]" 1
589 1 19 LYS QB 1 37 LEU QD . . 4.440 3.654 3.248 4.274 . 0 0 "[ . 1 . 2]" 1
590 1 19 LYS QB 1 38 PRO HD3 . . 4.170 3.788 3.557 3.969 . 0 0 "[ . 1 . 2]" 1
591 1 19 LYS HB2 1 37 LEU HA . . 5.500 5.502 5.452 5.537 0.037 7 0 "[ . 1 . 2]" 1
592 1 19 LYS HB3 1 37 LEU HA . . 5.500 4.952 4.371 5.113 . 0 0 "[ . 1 . 2]" 1
593 1 19 LYS QD 1 20 LEU H . . 5.480 4.664 4.341 5.162 . 0 0 "[ . 1 . 2]" 1
594 1 19 LYS QD 1 37 LEU HA . . 4.850 3.932 3.423 4.472 . 0 0 "[ . 1 . 2]" 1
595 1 19 LYS QD 1 37 LEU MD1 . . 5.030 2.341 1.784 3.475 . 0 0 "[ . 1 . 2]" 1
596 1 19 LYS QD 1 37 LEU QD . . 4.360 2.231 1.776 3.384 . 0 0 "[ . 1 . 2]" 1
597 1 19 LYS QD 1 37 LEU MD2 . . 5.030 3.252 2.741 5.032 0.002 7 0 "[ . 1 . 2]" 1
598 1 19 LYS QD 1 38 PRO HD2 . . 4.300 3.953 2.809 4.278 . 0 0 "[ . 1 . 2]" 1
599 1 19 LYS QD 1 38 PRO HD3 . . 5.220 3.662 2.434 4.172 . 0 0 "[ . 1 . 2]" 1
600 1 19 LYS QD 1 38 PRO HG3 . . 5.110 4.551 1.985 5.111 0.001 14 0 "[ . 1 . 2]" 1
601 1 19 LYS QE 1 19 LYS HG2 . . 3.530 2.661 2.231 3.510 . 0 0 "[ . 1 . 2]" 1
602 1 19 LYS QE 1 19 LYS HG3 . . 3.530 2.441 1.993 3.338 . 0 0 "[ . 1 . 2]" 1
603 1 19 LYS QE 1 37 LEU QB . . 5.500 4.615 3.995 5.518 0.018 4 0 "[ . 1 . 2]" 1
604 1 19 LYS QE 1 37 LEU MD1 . . 4.600 2.405 1.970 4.130 . 0 0 "[ . 1 . 2]" 1
605 1 19 LYS QE 1 37 LEU QD . . 3.590 2.182 1.762 2.878 . 0 0 "[ . 1 . 2]" 1
606 1 19 LYS QE 1 37 LEU MD2 . . 4.600 3.435 1.986 4.621 0.021 16 0 "[ . 1 . 2]" 1
607 1 19 LYS QE 1 38 PRO HD2 . . 5.240 4.000 2.941 4.858 . 0 0 "[ . 1 . 2]" 1
608 1 19 LYS QE 1 38 PRO HD3 . . 4.930 4.021 3.102 4.669 . 0 0 "[ . 1 . 2]" 1
609 1 19 LYS QG 1 37 LEU HA . . 4.100 3.268 3.052 3.924 . 0 0 "[ . 1 . 2]" 1
610 1 19 LYS QG 1 38 PRO HD2 . . 4.660 2.889 2.770 3.149 . 0 0 "[ . 1 . 2]" 1
611 1 19 LYS QG 1 38 PRO HD3 . . 3.880 2.097 1.983 2.261 . 0 0 "[ . 1 . 2]" 1
612 1 19 LYS HG2 1 38 PRO HD2 . . 5.440 3.088 2.820 4.510 . 0 0 "[ . 1 . 2]" 1
613 1 19 LYS HG3 1 38 PRO HD2 . . 5.440 4.162 2.980 4.731 . 0 0 "[ . 1 . 2]" 1
614 1 20 LEU H 1 20 LEU HB2 . . 3.570 3.353 3.327 3.398 . 0 0 "[ . 1 . 2]" 1
615 1 20 LEU H 1 20 LEU HB3 . . 3.220 2.675 2.661 2.705 . 0 0 "[ . 1 . 2]" 1
616 1 20 LEU H 1 20 LEU QD . . 4.440 4.000 3.990 4.012 . 0 0 "[ . 1 . 2]" 1
617 1 20 LEU H 1 20 LEU HG . . 4.950 4.349 4.334 4.371 . 0 0 "[ . 1 . 2]" 1
618 1 20 LEU H 1 21 HIS H . . 4.570 4.365 4.347 4.377 . 0 0 "[ . 1 . 2]" 1
619 1 20 LEU H 1 35 PHE HA . . 5.500 5.525 5.316 5.560 0.060 19 0 "[ . 1 . 2]" 1
620 1 20 LEU H 1 36 VAL QG . . 3.930 3.146 3.080 3.190 . 0 0 "[ . 1 . 2]" 1
621 1 20 LEU H 1 37 LEU HA . . 3.800 3.674 3.412 3.713 . 0 0 "[ . 1 . 2]" 1
622 1 20 LEU H 1 37 LEU QD . . 4.570 4.009 3.904 4.688 0.118 11 0 "[ . 1 . 2]" 1
623 1 20 LEU H 1 38 PRO HD2 . . 5.500 5.595 5.501 5.621 0.121 16 0 "[ . 1 . 2]" 1
624 1 20 LEU H 1 38 PRO HD3 . . 4.500 4.219 4.199 4.273 . 0 0 "[ . 1 . 2]" 1
625 1 20 LEU HA 1 20 LEU QD . . 3.570 2.517 2.438 2.538 . 0 0 "[ . 1 . 2]" 1
626 1 20 LEU HA 1 20 LEU HG . . 3.290 3.087 3.076 3.097 . 0 0 "[ . 1 . 2]" 1
627 1 20 LEU HA 1 21 HIS H . . 2.830 2.224 2.211 2.230 . 0 0 "[ . 1 . 2]" 1
628 1 20 LEU HA 1 21 HIS HA . . 4.950 4.363 4.362 4.365 . 0 0 "[ . 1 . 2]" 1
629 1 20 LEU HA 1 21 HIS QB . . 4.330 4.272 4.182 4.327 . 0 0 "[ . 1 . 2]" 1
630 1 20 LEU HA 1 21 HIS HD2 . . 4.720 3.443 3.257 3.660 . 0 0 "[ . 1 . 2]" 1
631 1 20 LEU HA 1 22 THR H . . 5.500 5.602 5.593 5.608 0.108 11 0 "[ . 1 . 2]" 1
632 1 20 LEU HA 1 36 VAL QG . . 5.190 4.617 4.528 4.672 . 0 0 "[ . 1 . 2]" 1
633 1 20 LEU HB2 1 20 LEU QD . . 3.090 1.986 1.977 2.010 . 0 0 "[ . 1 . 2]" 1
634 1 20 LEU HB3 1 20 LEU QD . . 2.910 2.171 2.162 2.190 . 0 0 "[ . 1 . 2]" 1
635 1 20 LEU HB3 1 20 LEU HG . . 2.980 2.594 2.576 2.600 . 0 0 "[ . 1 . 2]" 1
636 1 20 LEU HB3 1 21 HIS H . . 4.330 4.076 4.047 4.103 . 0 0 "[ . 1 . 2]" 1
637 1 20 LEU HB3 1 22 THR HB . . 4.780 4.693 4.567 4.720 . 0 0 "[ . 1 . 2]" 1
638 1 20 LEU HB3 1 22 THR MG . . 5.080 4.948 4.875 4.997 . 0 0 "[ . 1 . 2]" 1
639 1 20 LEU HB3 1 36 VAL QG . . 3.480 3.004 2.654 3.112 . 0 0 "[ . 1 . 2]" 1
640 1 20 LEU HB3 1 52 MET ME . . 4.610 4.205 4.136 4.302 . 0 0 "[ . 1 . 2]" 1
641 1 20 LEU QD 1 21 HIS H . . 4.240 2.356 2.283 2.541 . 0 0 "[ . 1 . 2]" 1
642 1 20 LEU QD 1 21 HIS HA . . 5.500 4.302 4.282 4.342 . 0 0 "[ . 1 . 2]" 1
643 1 20 LEU QD 1 21 HIS QB . . 3.860 3.708 3.632 3.804 . 0 0 "[ . 1 . 2]" 1
644 1 20 LEU QD 1 21 HIS HD2 . . 4.910 4.686 4.570 4.834 . 0 0 "[ . 1 . 2]" 1
645 1 20 LEU QD 1 22 THR HB . . 3.960 2.731 2.706 2.773 . 0 0 "[ . 1 . 2]" 1
646 1 20 LEU QD 1 22 THR MG . . 3.680 3.719 3.700 3.730 0.050 12 0 "[ . 1 . 2]" 1
647 1 20 LEU QD 1 36 VAL QG . . 3.530 3.168 2.917 3.253 . 0 0 "[ . 1 . 2]" 1
648 1 20 LEU QD 1 52 MET ME . . 2.830 1.972 1.927 2.087 . 0 0 "[ . 1 . 2]" 1
649 1 20 LEU QD 1 52 MET HG2 . . 5.500 5.267 4.991 5.479 . 0 0 "[ . 1 . 2]" 1
650 1 20 LEU QD 1 57 LEU HA . . 4.340 4.312 4.211 4.345 0.005 10 0 "[ . 1 . 2]" 1
651 1 20 LEU QD 1 57 LEU HB2 . . 3.210 2.153 2.031 2.323 . 0 0 "[ . 1 . 2]" 1
652 1 20 LEU QD 1 57 LEU HB3 . . 2.690 2.541 2.369 2.625 . 0 0 "[ . 1 . 2]" 1
653 1 20 LEU QD 1 58 ALA HA . . 5.500 4.844 4.705 4.978 . 0 0 "[ . 1 . 2]" 1
654 1 20 LEU QD 1 58 ALA MB . . 3.760 3.225 3.017 3.378 . 0 0 "[ . 1 . 2]" 1
655 1 20 LEU HG 1 21 HIS H . . 4.000 2.544 2.518 2.596 . 0 0 "[ . 1 . 2]" 1
656 1 20 LEU HG 1 21 HIS QB . . 4.390 4.178 4.152 4.218 . 0 0 "[ . 1 . 2]" 1
657 1 20 LEU HG 1 22 THR HB . . 4.490 3.423 3.311 3.462 . 0 0 "[ . 1 . 2]" 1
658 1 20 LEU HG 1 22 THR MG . . 4.400 4.424 4.412 4.430 0.030 12 0 "[ . 1 . 2]" 1
659 1 20 LEU HG 1 36 VAL H . . 5.240 4.858 4.592 4.917 . 0 0 "[ . 1 . 2]" 1
660 1 20 LEU HG 1 36 VAL QG . . 4.070 3.685 3.502 3.754 . 0 0 "[ . 1 . 2]" 1
661 1 20 LEU HG 1 52 MET ME . . 3.920 3.752 3.669 3.885 . 0 0 "[ . 1 . 2]" 1
662 1 21 HIS H 1 21 HIS HB2 . . 3.640 2.346 2.277 2.398 . 0 0 "[ . 1 . 2]" 1
663 1 21 HIS H 1 21 HIS QB . . 3.050 2.317 2.251 2.367 . 0 0 "[ . 1 . 2]" 1
664 1 21 HIS H 1 21 HIS HB3 . . 3.640 3.597 3.537 3.631 . 0 0 "[ . 1 . 2]" 1
665 1 21 HIS H 1 22 THR H . . 4.300 4.236 4.228 4.248 . 0 0 "[ . 1 . 2]" 1
666 1 21 HIS H 1 35 PHE HB2 . . 5.410 5.406 5.236 5.432 0.022 4 0 "[ . 1 . 2]" 1
667 1 21 HIS H 1 36 VAL QG . . 5.140 4.648 4.597 4.688 . 0 0 "[ . 1 . 2]" 1
668 1 21 HIS HA 1 21 HIS HD2 . . 4.080 2.893 2.604 3.159 . 0 0 "[ . 1 . 2]" 1
669 1 21 HIS HA 1 22 THR H . . 2.550 2.165 2.164 2.166 . 0 0 "[ . 1 . 2]" 1
670 1 21 HIS HA 1 22 THR MG . . 4.360 3.906 3.872 4.014 . 0 0 "[ . 1 . 2]" 1
671 1 21 HIS HA 1 35 PHE HA . . 3.210 1.956 1.942 1.971 . 0 0 "[ . 1 . 2]" 1
672 1 21 HIS HA 1 35 PHE HB2 . . 5.000 3.156 2.984 3.195 . 0 0 "[ . 1 . 2]" 1
673 1 21 HIS HA 1 35 PHE HB3 . . 4.470 3.389 2.990 3.467 . 0 0 "[ . 1 . 2]" 1
674 1 21 HIS HA 1 35 PHE QD . . 4.900 4.849 4.684 4.882 . 0 0 "[ . 1 . 2]" 1
675 1 21 HIS HA 1 36 VAL H . . 3.680 2.833 2.769 3.014 . 0 0 "[ . 1 . 2]" 1
676 1 21 HIS QB 1 22 THR H . . 3.760 3.596 3.581 3.625 . 0 0 "[ . 1 . 2]" 1
677 1 21 HIS QB 1 35 PHE HA . . 4.730 3.609 3.538 3.865 . 0 0 "[ . 1 . 2]" 1
678 1 21 HIS HD2 1 35 PHE HA . . 4.560 4.088 3.628 4.459 . 0 0 "[ . 1 . 2]" 1
679 1 21 HIS HD2 1 35 PHE HB2 . . 4.660 3.218 2.755 3.641 . 0 0 "[ . 1 . 2]" 1
680 1 21 HIS HD2 1 35 PHE HB3 . . 4.670 4.118 3.691 4.527 . 0 0 "[ . 1 . 2]" 1
681 1 22 THR H 1 22 THR HB . . 3.930 2.922 2.907 2.935 . 0 0 "[ . 1 . 2]" 1
682 1 22 THR H 1 22 THR MG . . 3.240 2.038 2.006 2.143 . 0 0 "[ . 1 . 2]" 1
683 1 22 THR H 1 35 PHE H . . 4.730 4.356 4.284 4.464 . 0 0 "[ . 1 . 2]" 1
684 1 22 THR H 1 35 PHE HA . . 3.250 2.327 2.051 2.386 . 0 0 "[ . 1 . 2]" 1
685 1 22 THR H 1 35 PHE HB2 . . 4.700 4.584 4.329 4.647 . 0 0 "[ . 1 . 2]" 1
686 1 22 THR H 1 35 PHE HB3 . . 4.760 4.585 4.193 4.668 . 0 0 "[ . 1 . 2]" 1
687 1 22 THR HA 1 22 THR HB . . 2.960 2.488 2.477 2.522 . 0 0 "[ . 1 . 2]" 1
688 1 22 THR HA 1 22 THR MG . . 3.230 3.194 3.192 3.197 . 0 0 "[ . 1 . 2]" 1
689 1 22 THR HA 1 23 ASP H . . 2.780 2.242 2.216 2.261 . 0 0 "[ . 1 . 2]" 1
690 1 22 THR HA 1 23 ASP HA . . 5.050 4.385 4.378 4.394 . 0 0 "[ . 1 . 2]" 1
691 1 22 THR HA 1 24 ALA H . . 5.300 5.293 5.250 5.316 0.016 4 0 "[ . 1 . 2]" 1
692 1 22 THR HA 1 24 ALA MB . . 5.320 5.255 5.196 5.333 0.013 3 0 "[ . 1 . 2]" 1
693 1 22 THR HA 1 34 ALA HA . . 5.500 5.531 5.503 5.562 0.062 19 0 "[ . 1 . 2]" 1
694 1 22 THR HA 1 52 MET ME . . 4.640 3.863 3.755 4.061 . 0 0 "[ . 1 . 2]" 1
695 1 22 THR HB 1 23 ASP H . . 4.320 4.042 3.999 4.117 . 0 0 "[ . 1 . 2]" 1
696 1 22 THR HB 1 24 ALA MB . . 5.030 4.956 4.921 5.011 . 0 0 "[ . 1 . 2]" 1
697 1 22 THR HB 1 35 PHE HA . . 5.500 5.152 4.817 5.239 . 0 0 "[ . 1 . 2]" 1
698 1 22 THR HB 1 36 VAL MG1 . . 5.500 4.382 4.108 4.490 . 0 0 "[ . 1 . 2]" 1
699 1 22 THR HB 1 36 VAL QG . . 4.450 2.874 2.667 2.935 . 0 0 "[ . 1 . 2]" 1
700 1 22 THR HB 1 36 VAL MG2 . . 5.500 2.914 2.702 2.975 . 0 0 "[ . 1 . 2]" 1
701 1 22 THR HB 1 42 PHE QD . . 5.500 5.512 5.505 5.532 0.032 20 0 "[ . 1 . 2]" 1
702 1 22 THR HB 1 42 PHE QE . . 5.410 4.140 4.035 4.281 . 0 0 "[ . 1 . 2]" 1
703 1 22 THR HB 1 52 MET ME . . 3.600 2.013 1.920 2.276 . 0 0 "[ . 1 . 2]" 1
704 1 22 THR HB 1 52 MET HG3 . . 5.500 5.268 4.981 5.512 0.012 11 0 "[ . 1 . 2]" 1
705 1 22 THR MG 1 23 ASP H . . 4.120 3.675 3.567 3.732 . 0 0 "[ . 1 . 2]" 1
706 1 22 THR MG 1 23 ASP HA . . 4.850 3.968 3.830 4.034 . 0 0 "[ . 1 . 2]" 1
707 1 22 THR MG 1 24 ALA H . . 3.970 3.331 3.211 3.374 . 0 0 "[ . 1 . 2]" 1
708 1 22 THR MG 1 24 ALA HA . . 5.190 5.005 4.804 5.095 . 0 0 "[ . 1 . 2]" 1
709 1 22 THR MG 1 24 ALA MB . . 3.080 2.804 2.659 3.025 . 0 0 "[ . 1 . 2]" 1
710 1 22 THR MG 1 33 VAL HA . . 5.500 4.856 4.754 5.002 . 0 0 "[ . 1 . 2]" 1
711 1 22 THR MG 1 33 VAL HB . . 4.580 3.311 3.245 3.402 . 0 0 "[ . 1 . 2]" 1
712 1 22 THR MG 1 33 VAL MG1 . . 3.810 2.102 1.975 2.204 . 0 0 "[ . 1 . 2]" 1
713 1 22 THR MG 1 33 VAL QG . . 3.140 2.093 1.969 2.193 . 0 0 "[ . 1 . 2]" 1
714 1 22 THR MG 1 33 VAL MG2 . . 3.810 3.921 3.838 3.970 0.160 18 0 "[ . 1 . 2]" 1
715 1 22 THR MG 1 34 ALA HA . . 4.820 4.442 4.383 4.529 . 0 0 "[ . 1 . 2]" 1
716 1 22 THR MG 1 35 PHE H . . 4.590 4.042 3.970 4.228 . 0 0 "[ . 1 . 2]" 1
717 1 22 THR MG 1 35 PHE HA . . 4.190 3.375 3.166 3.418 . 0 0 "[ . 1 . 2]" 1
718 1 22 THR MG 1 35 PHE HB3 . . 5.500 5.466 5.257 5.520 0.020 19 0 "[ . 1 . 2]" 1
719 1 22 THR MG 1 36 VAL H . . 3.920 3.211 2.975 3.265 . 0 0 "[ . 1 . 2]" 1
720 1 22 THR MG 1 36 VAL QG . . 2.880 1.736 1.719 1.744 . 0 0 "[ . 1 . 2]" 1
721 1 22 THR MG 1 42 PHE HB2 . . 5.500 4.319 4.265 4.379 . 0 0 "[ . 1 . 2]" 1
722 1 22 THR MG 1 42 PHE QD . . 3.870 3.284 3.255 3.334 . 0 0 "[ . 1 . 2]" 1
723 1 22 THR MG 1 42 PHE QE . . 3.830 2.904 2.800 3.085 . 0 0 "[ . 1 . 2]" 1
724 1 22 THR MG 1 44 VAL QG . . 4.080 3.410 3.327 3.493 . 0 0 "[ . 1 . 2]" 1
725 1 22 THR MG 1 48 VAL QG . . 5.170 4.549 4.471 4.686 . 0 0 "[ . 1 . 2]" 1
726 1 22 THR MG 1 52 MET ME . . 3.080 2.609 2.403 2.760 . 0 0 "[ . 1 . 2]" 1
727 1 22 THR MG 1 58 ALA MB . . 5.500 4.805 4.726 4.961 . 0 0 "[ . 1 . 2]" 1
728 1 23 ASP H 1 23 ASP HB2 . . 3.780 2.782 2.330 3.687 . 0 0 "[ . 1 . 2]" 1
729 1 23 ASP H 1 23 ASP QB . . 3.180 2.506 2.296 2.999 . 0 0 "[ . 1 . 2]" 1
730 1 23 ASP H 1 23 ASP HB3 . . 3.780 3.106 2.506 3.737 . 0 0 "[ . 1 . 2]" 1
731 1 23 ASP H 1 24 ALA HA . . 5.130 5.008 4.956 5.056 . 0 0 "[ . 1 . 2]" 1
732 1 23 ASP HA 1 24 ALA H . . 2.760 2.258 2.255 2.265 . 0 0 "[ . 1 . 2]" 1
733 1 23 ASP HA 1 24 ALA MB . . 4.560 4.178 4.163 4.220 . 0 0 "[ . 1 . 2]" 1
734 1 23 ASP HA 1 33 VAL MG1 . . 5.500 4.206 3.796 4.373 . 0 0 "[ . 1 . 2]" 1
735 1 23 ASP HA 1 33 VAL MG2 . . 5.500 5.419 5.260 5.515 0.015 20 0 "[ . 1 . 2]" 1
736 1 23 ASP HA 1 34 ALA HA . . 3.750 2.714 2.621 2.803 . 0 0 "[ . 1 . 2]" 1
737 1 23 ASP HA 1 34 ALA MB . . 4.650 4.188 4.091 4.276 . 0 0 "[ . 1 . 2]" 1
738 1 23 ASP HA 1 35 PHE H . . 5.500 5.482 5.438 5.513 0.013 11 0 "[ . 1 . 2]" 1
739 1 24 ALA H 1 24 ALA MB . . 3.100 2.519 2.421 2.602 . 0 0 "[ . 1 . 2]" 1
740 1 24 ALA H 1 25 LEU H . . 4.380 4.216 4.093 4.441 0.061 20 0 "[ . 1 . 2]" 1
741 1 24 ALA H 1 25 LEU HA . . 5.140 4.751 4.638 4.970 . 0 0 "[ . 1 . 2]" 1
742 1 24 ALA H 1 25 LEU HB2 . . 5.500 5.503 5.422 5.549 0.049 4 0 "[ . 1 . 2]" 1
743 1 24 ALA H 1 33 VAL H . . 3.880 3.472 3.307 3.688 . 0 0 "[ . 1 . 2]" 1
744 1 24 ALA H 1 33 VAL HB . . 4.350 2.213 2.065 2.272 . 0 0 "[ . 1 . 2]" 1
745 1 24 ALA H 1 33 VAL MG1 . . 4.580 3.268 2.825 3.396 . 0 0 "[ . 1 . 2]" 1
746 1 24 ALA H 1 33 VAL MG2 . . 4.580 3.810 3.703 3.904 . 0 0 "[ . 1 . 2]" 1
747 1 24 ALA H 1 42 PHE QD . . 5.500 5.470 5.358 5.526 0.026 3 0 "[ . 1 . 2]" 1
748 1 24 ALA H 1 44 VAL QG . . 4.870 4.468 4.383 4.640 . 0 0 "[ . 1 . 2]" 1
749 1 24 ALA HA 1 25 LEU H . . 3.170 2.234 2.143 2.591 . 0 0 "[ . 1 . 2]" 1
750 1 24 ALA HA 1 25 LEU QD . . 5.440 4.396 4.194 4.864 . 0 0 "[ . 1 . 2]" 1
751 1 24 ALA HA 1 33 VAL HB . . 5.500 4.291 4.076 4.469 . 0 0 "[ . 1 . 2]" 1
752 1 24 ALA HA 1 33 VAL QG . . 5.390 4.502 4.365 4.625 . 0 0 "[ . 1 . 2]" 1
753 1 24 ALA HA 1 44 VAL HA . . 5.110 4.945 4.825 5.076 . 0 0 "[ . 1 . 2]" 1
754 1 24 ALA HA 1 44 VAL QG . . 3.840 3.882 3.765 3.984 0.144 19 0 "[ . 1 . 2]" 1
755 1 24 ALA MB 1 25 LEU H . . 3.530 3.094 2.234 3.360 . 0 0 "[ . 1 . 2]" 1
756 1 24 ALA MB 1 26 HIS H . . 5.360 4.871 4.725 5.317 . 0 0 "[ . 1 . 2]" 1
757 1 24 ALA MB 1 33 VAL H . . 4.740 4.207 3.534 4.718 . 0 0 "[ . 1 . 2]" 1
758 1 24 ALA MB 1 33 VAL MG1 . . 3.520 3.275 2.927 3.478 . 0 0 "[ . 1 . 2]" 1
759 1 24 ALA MB 1 33 VAL QG . . 2.910 2.665 2.296 2.928 0.018 13 0 "[ . 1 . 2]" 1
760 1 24 ALA MB 1 33 VAL MG2 . . 3.520 2.827 2.380 3.152 . 0 0 "[ . 1 . 2]" 1
761 1 24 ALA MB 1 36 VAL QG . . 4.980 4.291 4.085 4.416 . 0 0 "[ . 1 . 2]" 1
762 1 24 ALA MB 1 42 PHE HB2 . . 4.130 4.044 3.776 4.165 0.035 18 0 "[ . 1 . 2]" 1
763 1 24 ALA MB 1 42 PHE QD . . 3.120 3.022 2.917 3.066 . 0 0 "[ . 1 . 2]" 1
764 1 24 ALA MB 1 42 PHE QE . . 3.600 3.607 3.583 3.628 0.028 20 0 "[ . 1 . 2]" 1
765 1 24 ALA MB 1 44 VAL H . . 5.080 4.882 4.795 5.048 . 0 0 "[ . 1 . 2]" 1
766 1 24 ALA MB 1 44 VAL HA . . 4.250 2.861 2.747 3.047 . 0 0 "[ . 1 . 2]" 1
767 1 24 ALA MB 1 44 VAL HB . . 4.820 2.945 2.802 3.359 . 0 0 "[ . 1 . 2]" 1
768 1 24 ALA MB 1 44 VAL MG1 . . 4.050 1.861 1.822 2.014 . 0 0 "[ . 1 . 2]" 1
769 1 24 ALA MB 1 44 VAL QG . . 2.920 1.857 1.819 2.009 . 0 0 "[ . 1 . 2]" 1
770 1 24 ALA MB 1 44 VAL MG2 . . 4.050 3.872 3.768 4.084 0.034 20 0 "[ . 1 . 2]" 1
771 1 24 ALA MB 1 52 MET ME . . 4.320 4.247 4.068 4.320 0.000 19 0 "[ . 1 . 2]" 1
772 1 25 LEU H 1 25 LEU HB2 . . 3.150 2.349 2.161 2.907 . 0 0 "[ . 1 . 2]" 1
773 1 25 LEU H 1 25 LEU HB3 . . 3.340 3.193 3.071 3.375 0.035 20 0 "[ . 1 . 2]" 1
774 1 25 LEU H 1 25 LEU QD . . 3.900 3.398 3.176 3.687 . 0 0 "[ . 1 . 2]" 1
775 1 25 LEU HA 1 25 LEU MD1 . . 3.400 2.269 1.976 3.142 . 0 0 "[ . 1 . 2]" 1
776 1 25 LEU HA 1 25 LEU QD . . 2.910 2.034 1.838 2.903 . 0 0 "[ . 1 . 2]" 1
777 1 25 LEU HA 1 25 LEU MD2 . . 3.400 2.325 1.967 3.430 0.030 13 0 "[ . 1 . 2]" 1
778 1 25 LEU HA 1 25 LEU HG . . 3.820 3.411 2.139 3.642 . 0 0 "[ . 1 . 2]" 1
779 1 25 LEU HA 1 26 HIS H . . 2.880 2.153 2.140 2.212 . 0 0 "[ . 1 . 2]" 1
780 1 25 LEU HA 1 26 HIS HA . . 5.500 4.361 4.323 4.371 . 0 0 "[ . 1 . 2]" 1
781 1 25 LEU HA 1 32 PRO HA . . 3.430 2.128 1.971 2.196 . 0 0 "[ . 1 . 2]" 1
782 1 25 LEU HA 1 32 PRO HB2 . . 4.900 4.282 4.110 4.334 . 0 0 "[ . 1 . 2]" 1
783 1 25 LEU HA 1 32 PRO HB3 . . 4.900 3.697 3.616 3.755 . 0 0 "[ . 1 . 2]" 1
784 1 25 LEU HA 1 33 VAL H . . 3.410 2.777 2.717 2.948 . 0 0 "[ . 1 . 2]" 1
785 1 25 LEU HA 1 33 VAL HA . . 5.460 5.483 5.331 5.533 0.073 14 0 "[ . 1 . 2]" 1
786 1 25 LEU HA 1 33 VAL HB . . 5.380 4.455 4.269 4.543 . 0 0 "[ . 1 . 2]" 1
787 1 25 LEU HA 1 33 VAL QG . . 4.730 3.401 3.209 3.509 . 0 0 "[ . 1 . 2]" 1
788 1 25 LEU HB2 1 25 LEU MD1 . . 3.350 3.013 2.011 3.194 . 0 0 "[ . 1 . 2]" 1
789 1 25 LEU HB2 1 25 LEU MD2 . . 3.350 2.388 2.219 2.909 . 0 0 "[ . 1 . 2]" 1
790 1 25 LEU HB2 1 25 LEU HG . . 2.870 2.519 2.381 2.873 0.003 13 0 "[ . 1 . 2]" 1
791 1 25 LEU HB2 1 26 HIS H . . 4.700 4.471 4.318 4.510 . 0 0 "[ . 1 . 2]" 1
792 1 25 LEU HB3 1 25 LEU MD1 . . 3.390 2.467 2.173 2.958 . 0 0 "[ . 1 . 2]" 1
793 1 25 LEU HB3 1 25 LEU QD . . 2.940 2.282 2.073 2.370 . 0 0 "[ . 1 . 2]" 1
794 1 25 LEU HB3 1 25 LEU MD2 . . 3.390 3.030 2.118 3.197 . 0 0 "[ . 1 . 2]" 1
795 1 25 LEU HB3 1 25 LEU HG . . 2.830 2.472 2.367 2.826 . 0 0 "[ . 1 . 2]" 1
796 1 25 LEU HB3 1 26 HIS H . . 3.810 3.686 3.422 3.755 . 0 0 "[ . 1 . 2]" 1
797 1 25 LEU HB3 1 27 ALA MB . . 5.500 5.058 4.800 5.281 . 0 0 "[ . 1 . 2]" 1
798 1 25 LEU HB3 1 32 PRO HA . . 4.890 4.496 4.180 4.646 . 0 0 "[ . 1 . 2]" 1
799 1 25 LEU QD 1 26 HIS H . . 3.140 2.422 2.099 3.175 0.035 18 0 "[ . 1 . 2]" 1
800 1 25 LEU QD 1 26 HIS QB . . 3.780 3.373 3.207 3.896 0.116 19 0 "[ . 1 . 2]" 1
801 1 25 LEU QD 1 27 ALA HA . . 4.920 4.738 4.364 4.908 . 0 0 "[ . 1 . 2]" 1
802 1 25 LEU QD 1 32 PRO HA . . 3.040 2.003 1.769 2.946 . 0 0 "[ . 1 . 2]" 1
803 1 25 LEU QD 1 32 PRO QB . . 3.420 1.778 1.693 2.087 . 0 0 "[ . 1 . 2]" 1
804 1 25 LEU QD 1 32 PRO QD . . 4.110 3.029 2.916 3.457 . 0 0 "[ . 1 . 2]" 1
805 1 25 LEU QD 1 32 PRO QG . . 3.720 3.129 3.039 3.366 . 0 0 "[ . 1 . 2]" 1
806 1 25 LEU QD 1 33 VAL H . . 3.040 2.535 2.215 3.154 0.114 19 0 "[ . 1 . 2]" 1
807 1 25 LEU MD1 1 32 PRO HA . . 3.480 2.154 1.954 3.199 . 0 0 "[ . 1 . 2]" 1
808 1 25 LEU MD1 1 32 PRO HD2 . . 5.430 4.471 4.250 5.487 0.057 18 0 "[ . 1 . 2]" 1
809 1 25 LEU MD1 1 32 PRO HD3 . . 5.430 3.315 3.043 4.558 . 0 0 "[ . 1 . 2]" 1
810 1 25 LEU MD1 1 32 PRO HG2 . . 4.970 4.365 4.275 4.553 . 0 0 "[ . 1 . 2]" 1
811 1 25 LEU MD1 1 32 PRO HG3 . . 4.970 3.608 3.454 3.890 . 0 0 "[ . 1 . 2]" 1
812 1 25 LEU MD2 1 32 PRO HA . . 3.480 2.390 1.995 3.459 . 0 0 "[ . 1 . 2]" 1
813 1 25 LEU MD2 1 32 PRO HD2 . . 5.430 5.119 5.069 5.163 . 0 0 "[ . 1 . 2]" 1
814 1 25 LEU MD2 1 32 PRO HD3 . . 5.430 4.241 3.674 4.386 . 0 0 "[ . 1 . 2]" 1
815 1 25 LEU MD2 1 32 PRO HG2 . . 4.970 4.386 4.176 5.141 0.171 18 0 "[ . 1 . 2]" 1
816 1 25 LEU MD2 1 32 PRO HG3 . . 4.970 3.833 3.762 4.072 . 0 0 "[ . 1 . 2]" 1
817 1 25 LEU HG 1 32 PRO HA . . 5.120 4.039 1.887 4.507 . 0 0 "[ . 1 . 2]" 1
818 1 25 LEU HG 1 32 PRO QB . . 5.340 3.459 1.918 3.987 . 0 0 "[ . 1 . 2]" 1
819 1 26 HIS H 1 26 HIS HB2 . . 3.740 2.082 2.070 2.090 . 0 0 "[ . 1 . 2]" 1
820 1 26 HIS H 1 26 HIS QB . . 2.970 2.063 2.050 2.071 . 0 0 "[ . 1 . 2]" 1
821 1 26 HIS H 1 26 HIS HB3 . . 3.740 3.350 3.287 3.376 . 0 0 "[ . 1 . 2]" 1
822 1 26 HIS H 1 26 HIS HD2 . . 4.810 4.838 4.822 4.867 0.057 3 0 "[ . 1 . 2]" 1
823 1 26 HIS H 1 27 ALA H . . 4.610 4.519 4.427 4.575 . 0 0 "[ . 1 . 2]" 1
824 1 26 HIS H 1 27 ALA MB . . 5.500 5.599 5.557 5.630 0.130 13 0 "[ . 1 . 2]" 1
825 1 26 HIS H 1 31 GLU H . . 4.020 3.507 3.303 3.630 . 0 0 "[ . 1 . 2]" 1
826 1 26 HIS H 1 31 GLU HA . . 5.450 5.156 5.026 5.242 . 0 0 "[ . 1 . 2]" 1
827 1 26 HIS H 1 32 PRO HA . . 3.820 2.641 2.517 2.730 . 0 0 "[ . 1 . 2]" 1
828 1 26 HIS H 1 32 PRO QB . . 4.320 4.297 4.146 4.346 0.026 20 0 "[ . 1 . 2]" 1
829 1 26 HIS H 1 32 PRO QD . . 4.980 4.653 4.490 4.729 . 0 0 "[ . 1 . 2]" 1
830 1 26 HIS H 1 33 VAL H . . 4.590 4.137 3.956 4.510 . 0 0 "[ . 1 . 2]" 1
831 1 26 HIS HA 1 26 HIS HD2 . . 4.540 2.433 2.376 2.468 . 0 0 "[ . 1 . 2]" 1
832 1 26 HIS HA 1 27 ALA H . . 2.630 2.147 2.139 2.169 . 0 0 "[ . 1 . 2]" 1
833 1 26 HIS HA 1 27 ALA HA . . 4.500 4.382 4.371 4.405 . 0 0 "[ . 1 . 2]" 1
834 1 26 HIS HA 1 27 ALA MB . . 4.500 3.928 3.900 3.984 . 0 0 "[ . 1 . 2]" 1
835 1 26 HIS HA 1 29 ARG H . . 4.620 4.074 3.923 4.221 . 0 0 "[ . 1 . 2]" 1
836 1 26 HIS HA 1 29 ARG HB2 . . 5.030 4.787 4.664 4.900 . 0 0 "[ . 1 . 2]" 1
837 1 26 HIS HA 1 29 ARG HB3 . . 5.500 5.539 5.514 5.551 0.051 5 0 "[ . 1 . 2]" 1
838 1 26 HIS HA 1 31 GLU H . . 4.800 4.759 4.689 4.796 . 0 0 "[ . 1 . 2]" 1
839 1 26 HIS HA 1 44 VAL HA . . 5.500 5.104 4.710 5.515 0.015 20 0 "[ . 1 . 2]" 1
840 1 26 HIS QB 1 26 HIS HD2 . . 3.490 3.119 3.103 3.151 . 0 0 "[ . 1 . 2]" 1
841 1 26 HIS QB 1 27 ALA H . . 3.800 3.478 3.326 3.655 . 0 0 "[ . 1 . 2]" 1
842 1 26 HIS QB 1 29 ARG H . . 3.910 2.717 2.582 2.847 . 0 0 "[ . 1 . 2]" 1
843 1 26 HIS QB 1 29 ARG HB2 . . 5.240 3.109 2.931 3.232 . 0 0 "[ . 1 . 2]" 1
844 1 26 HIS QB 1 29 ARG HB3 . . 4.070 3.131 3.050 3.174 . 0 0 "[ . 1 . 2]" 1
845 1 26 HIS QB 1 31 GLU H . . 3.210 1.938 1.901 1.961 . 0 0 "[ . 1 . 2]" 1
846 1 26 HIS QB 1 31 GLU QB . . 4.020 3.161 3.015 3.235 . 0 0 "[ . 1 . 2]" 1
847 1 26 HIS QB 1 32 PRO HA . . 4.870 3.858 3.779 3.987 . 0 0 "[ . 1 . 2]" 1
848 1 26 HIS HB2 1 27 ALA H . . 4.670 4.497 4.416 4.583 . 0 0 "[ . 1 . 2]" 1
849 1 26 HIS HB2 1 29 ARG HB3 . . 4.730 4.070 3.973 4.107 . 0 0 "[ . 1 . 2]" 1
850 1 26 HIS HB2 1 31 GLU H . . 3.810 1.998 1.944 2.026 . 0 0 "[ . 1 . 2]" 1
851 1 26 HIS HB3 1 27 ALA H . . 4.670 3.621 3.440 3.840 . 0 0 "[ . 1 . 2]" 1
852 1 26 HIS HB3 1 29 ARG HB3 . . 4.730 3.255 3.156 3.303 . 0 0 "[ . 1 . 2]" 1
853 1 26 HIS HB3 1 31 GLU H . . 3.810 2.620 2.556 2.732 . 0 0 "[ . 1 . 2]" 1
854 1 26 HIS HD2 1 27 ALA H . . 4.710 2.933 2.795 3.096 . 0 0 "[ . 1 . 2]" 1
855 1 26 HIS HD2 1 27 ALA HA . . 5.500 5.541 5.526 5.572 0.072 8 0 "[ . 1 . 2]" 1
856 1 26 HIS HD2 1 29 ARG H . . 4.970 3.042 2.942 3.188 . 0 0 "[ . 1 . 2]" 1
857 1 26 HIS HD2 1 31 GLU H . . 5.500 5.555 5.511 5.610 0.110 20 0 "[ . 1 . 2]" 1
858 1 26 HIS HE1 1 29 ARG QD . . 4.860 4.798 4.026 4.864 0.004 7 0 "[ . 1 . 2]" 1
859 1 26 HIS HE1 1 29 ARG QG . . 4.440 4.421 4.306 4.447 0.007 6 0 "[ . 1 . 2]" 1
860 1 27 ALA H 1 27 ALA MB . . 2.700 2.236 2.144 2.259 . 0 0 "[ . 1 . 2]" 1
861 1 27 ALA H 1 29 ARG H . . 4.090 3.545 3.426 3.750 . 0 0 "[ . 1 . 2]" 1
862 1 27 ALA H 1 29 ARG HB2 . . 5.500 5.146 5.032 5.393 . 0 0 "[ . 1 . 2]" 1
863 1 27 ALA HA 1 29 ARG H . . 5.420 4.599 4.354 4.927 . 0 0 "[ . 1 . 2]" 1
864 1 27 ALA MB 1 44 VAL HA . . 5.460 5.473 5.421 5.498 0.038 8 0 "[ . 1 . 2]" 1
865 1 29 ARG H 1 29 ARG HB2 . . 3.710 2.306 2.194 2.406 . 0 0 "[ . 1 . 2]" 1
866 1 29 ARG H 1 29 ARG HB3 . . 3.690 3.419 3.369 3.493 . 0 0 "[ . 1 . 2]" 1
867 1 29 ARG H 1 29 ARG HD2 . . 5.500 5.441 5.171 5.502 0.002 6 0 "[ . 1 . 2]" 1
868 1 29 ARG H 1 29 ARG QD . . 4.840 4.658 4.593 4.716 . 0 0 "[ . 1 . 2]" 1
869 1 29 ARG H 1 29 ARG HD3 . . 5.500 5.070 4.991 5.386 . 0 0 "[ . 1 . 2]" 1
870 1 29 ARG H 1 29 ARG QG . . 3.510 3.535 3.441 3.570 0.060 20 0 "[ . 1 . 2]" 1
871 1 29 ARG H 1 30 ASP H . . 4.650 4.441 4.410 4.471 . 0 0 "[ . 1 . 2]" 1
872 1 29 ARG H 1 31 GLU H . . 5.370 5.081 4.999 5.197 . 0 0 "[ . 1 . 2]" 1
873 1 29 ARG H 1 43 ARG QD . . 5.340 5.335 5.233 5.371 0.031 8 0 "[ . 1 . 2]" 1
874 1 29 ARG HA 1 29 ARG HD2 . . 4.630 3.826 3.633 3.945 . 0 0 "[ . 1 . 2]" 1
875 1 29 ARG HA 1 29 ARG QD . . 3.990 2.609 2.477 3.098 . 0 0 "[ . 1 . 2]" 1
876 1 29 ARG HA 1 29 ARG HD3 . . 4.630 2.658 2.517 3.239 . 0 0 "[ . 1 . 2]" 1
877 1 29 ARG HA 1 29 ARG QG . . 3.030 2.219 2.061 2.255 . 0 0 "[ . 1 . 2]" 1
878 1 29 ARG HA 1 30 ASP H . . 2.880 2.625 2.615 2.643 . 0 0 "[ . 1 . 2]" 1
879 1 29 ARG HB2 1 29 ARG HD2 . . 4.170 3.491 3.189 3.551 . 0 0 "[ . 1 . 2]" 1
880 1 29 ARG HB2 1 29 ARG QD . . 3.500 3.205 3.049 3.239 . 0 0 "[ . 1 . 2]" 1
881 1 29 ARG HB2 1 29 ARG HD3 . . 4.170 3.740 3.697 3.875 . 0 0 "[ . 1 . 2]" 1
882 1 29 ARG HB2 1 30 ASP H . . 3.660 3.623 3.572 3.650 . 0 0 "[ . 1 . 2]" 1
883 1 29 ARG HB2 1 30 ASP HA . . 5.390 5.258 5.206 5.293 . 0 0 "[ . 1 . 2]" 1
884 1 29 ARG HB2 1 31 GLU H . . 4.790 4.808 4.755 4.842 0.052 10 0 "[ . 1 . 2]" 1
885 1 29 ARG HB3 1 29 ARG HD2 . . 3.710 2.361 2.092 2.441 . 0 0 "[ . 1 . 2]" 1
886 1 29 ARG HB3 1 29 ARG HD3 . . 3.710 2.663 2.592 2.907 . 0 0 "[ . 1 . 2]" 1
887 1 29 ARG HB3 1 30 ASP H . . 3.860 2.108 2.042 2.149 . 0 0 "[ . 1 . 2]" 1
888 1 29 ARG HB3 1 30 ASP HA . . 4.810 4.169 4.159 4.181 . 0 0 "[ . 1 . 2]" 1
889 1 29 ARG HB3 1 30 ASP HB2 . . 5.500 4.749 4.478 5.508 0.008 5 0 "[ . 1 . 2]" 1
890 1 29 ARG HB3 1 30 ASP HB3 . . 5.500 5.126 4.551 5.494 . 0 0 "[ . 1 . 2]" 1
891 1 29 ARG HB3 1 31 GLU H . . 4.110 3.834 3.778 3.909 . 0 0 "[ . 1 . 2]" 1
892 1 29 ARG HB3 1 31 GLU HB2 . . 4.930 3.359 3.323 3.394 . 0 0 "[ . 1 . 2]" 1
893 1 29 ARG HB3 1 31 GLU QB . . 4.180 3.288 3.259 3.315 . 0 0 "[ . 1 . 2]" 1
894 1 29 ARG HB3 1 31 GLU HB3 . . 4.930 4.681 4.582 4.820 . 0 0 "[ . 1 . 2]" 1
895 1 29 ARG QG 1 30 ASP H . . 3.830 3.529 3.356 3.588 . 0 0 "[ . 1 . 2]" 1
896 1 30 ASP H 1 30 ASP HB2 . . 3.670 2.703 2.408 3.622 . 0 0 "[ . 1 . 2]" 1
897 1 30 ASP H 1 30 ASP QB . . 3.170 2.457 2.368 3.093 . 0 0 "[ . 1 . 2]" 1
898 1 30 ASP H 1 30 ASP HB3 . . 3.670 3.193 2.531 3.625 . 0 0 "[ . 1 . 2]" 1
899 1 30 ASP H 1 31 GLU H . . 4.090 3.686 3.670 3.700 . 0 0 "[ . 1 . 2]" 1
900 1 30 ASP HA 1 31 GLU H . . 2.760 2.333 2.326 2.339 . 0 0 "[ . 1 . 2]" 1
901 1 30 ASP HA 1 31 GLU QB . . 4.630 4.344 4.331 4.359 . 0 0 "[ . 1 . 2]" 1
902 1 30 ASP QB 1 31 GLU H . . 4.130 3.937 3.837 4.055 . 0 0 "[ . 1 . 2]" 1
903 1 30 ASP HB2 1 31 GLU H . . 4.820 4.590 4.156 4.657 . 0 0 "[ . 1 . 2]" 1
904 1 30 ASP HB3 1 31 GLU H . . 4.820 4.299 4.154 4.526 . 0 0 "[ . 1 . 2]" 1
905 1 31 GLU H 1 31 GLU HB2 . . 3.600 2.999 2.971 3.022 . 0 0 "[ . 1 . 2]" 1
906 1 31 GLU H 1 31 GLU QB . . 3.090 2.846 2.835 2.853 . 0 0 "[ . 1 . 2]" 1
907 1 31 GLU H 1 31 GLU HB3 . . 3.600 3.544 3.488 3.587 . 0 0 "[ . 1 . 2]" 1
908 1 31 GLU H 1 31 GLU QG . . 4.890 4.145 4.081 4.335 . 0 0 "[ . 1 . 2]" 1
909 1 31 GLU H 1 32 PRO HA . . 4.630 4.402 4.386 4.412 . 0 0 "[ . 1 . 2]" 1
910 1 31 GLU H 1 32 PRO QD . . 4.110 3.464 3.425 3.486 . 0 0 "[ . 1 . 2]" 1
911 1 31 GLU HA 1 31 GLU HG2 . . 3.770 2.533 2.018 3.495 . 0 0 "[ . 1 . 2]" 1
912 1 31 GLU HA 1 31 GLU QG . . 3.280 2.112 1.998 2.226 . 0 0 "[ . 1 . 2]" 1
913 1 31 GLU HA 1 31 GLU HG3 . . 3.770 2.668 2.018 3.509 . 0 0 "[ . 1 . 2]" 1
914 1 31 GLU HA 1 32 PRO HA . . 4.630 4.516 4.512 4.520 . 0 0 "[ . 1 . 2]" 1
915 1 31 GLU HA 1 32 PRO HD2 . . 3.240 1.913 1.912 1.914 . 0 0 "[ . 1 . 2]" 1
916 1 31 GLU HA 1 32 PRO HD3 . . 3.240 2.471 2.463 2.488 . 0 0 "[ . 1 . 2]" 1
917 1 31 GLU QB 1 31 GLU QG . . 2.320 2.050 2.016 2.086 . 0 0 "[ . 1 . 2]" 1
918 1 31 GLU QB 1 32 PRO QD . . 4.840 3.641 3.618 3.664 . 0 0 "[ . 1 . 2]" 1
919 1 31 GLU QG 1 32 PRO QD . . 4.200 2.943 2.777 3.253 . 0 0 "[ . 1 . 2]" 1
920 1 32 PRO HA 1 33 VAL H . . 2.720 2.307 2.271 2.447 . 0 0 "[ . 1 . 2]" 1
921 1 32 PRO HA 1 33 VAL HA . . 4.660 4.443 4.416 4.511 . 0 0 "[ . 1 . 2]" 1
922 1 32 PRO QB 1 33 VAL H . . 3.130 2.765 2.439 2.850 . 0 0 "[ . 1 . 2]" 1
923 1 32 PRO QB 1 33 VAL HB . . 5.340 5.231 5.038 5.305 . 0 0 "[ . 1 . 2]" 1
924 1 32 PRO HB2 1 33 VAL H . . 3.630 2.876 2.500 2.974 . 0 0 "[ . 1 . 2]" 1
925 1 32 PRO HB3 1 33 VAL H . . 3.630 3.597 3.397 3.650 0.020 1 0 "[ . 1 . 2]" 1
926 1 32 PRO QD 1 33 VAL H . . 4.960 4.988 4.926 5.001 0.041 2 0 "[ . 1 . 2]" 1
927 1 32 PRO QG 1 33 VAL H . . 4.410 4.331 4.087 4.393 . 0 0 "[ . 1 . 2]" 1
928 1 33 VAL H 1 33 VAL HB . . 3.360 2.815 2.715 2.957 . 0 0 "[ . 1 . 2]" 1
929 1 33 VAL H 1 33 VAL QG . . 3.370 2.595 2.506 2.853 . 0 0 "[ . 1 . 2]" 1
930 1 33 VAL H 1 34 ALA H . . 4.440 4.230 4.132 4.325 . 0 0 "[ . 1 . 2]" 1
931 1 33 VAL H 1 34 ALA MB . . 5.230 4.739 4.613 4.863 . 0 0 "[ . 1 . 2]" 1
932 1 33 VAL HA 1 33 VAL MG1 . . 3.690 2.267 2.178 2.370 . 0 0 "[ . 1 . 2]" 1
933 1 33 VAL HA 1 33 VAL QG . . 2.890 2.093 2.048 2.152 . 0 0 "[ . 1 . 2]" 1
934 1 33 VAL HA 1 33 VAL MG2 . . 3.690 2.468 2.284 2.500 . 0 0 "[ . 1 . 2]" 1
935 1 33 VAL HA 1 34 ALA H . . 2.740 2.145 2.139 2.165 . 0 0 "[ . 1 . 2]" 1
936 1 33 VAL HA 1 34 ALA HA . . 5.050 4.396 4.393 4.401 . 0 0 "[ . 1 . 2]" 1
937 1 33 VAL HA 1 34 ALA MB . . 4.190 3.946 3.899 4.017 . 0 0 "[ . 1 . 2]" 1
938 1 33 VAL HA 1 35 PHE H . . 3.770 3.567 3.465 3.803 0.033 20 0 "[ . 1 . 2]" 1
939 1 33 VAL HA 1 36 VAL QG . . 5.440 4.509 4.398 4.658 . 0 0 "[ . 1 . 2]" 1
940 1 33 VAL HB 1 34 ALA H . . 4.350 4.166 4.035 4.244 . 0 0 "[ . 1 . 2]" 1
941 1 33 VAL HB 1 34 ALA HA . . 5.500 4.684 4.621 4.798 . 0 0 "[ . 1 . 2]" 1
942 1 33 VAL HB 1 36 VAL QG . . 5.440 4.212 4.175 4.287 . 0 0 "[ . 1 . 2]" 1
943 1 33 VAL HB 1 42 PHE HB3 . . 5.500 5.542 5.517 5.561 0.061 3 0 "[ . 1 . 2]" 1
944 1 33 VAL QG 1 34 ALA H . . 3.580 2.646 2.233 2.923 . 0 0 "[ . 1 . 2]" 1
945 1 33 VAL QG 1 34 ALA HA . . 4.460 3.820 3.623 3.967 . 0 0 "[ . 1 . 2]" 1
946 1 33 VAL QG 1 35 PHE H . . 3.390 2.698 2.473 2.867 . 0 0 "[ . 1 . 2]" 1
947 1 33 VAL QG 1 35 PHE HA . . 5.260 3.959 3.851 4.035 . 0 0 "[ . 1 . 2]" 1
948 1 33 VAL QG 1 36 VAL H . . 5.370 4.092 3.985 4.179 . 0 0 "[ . 1 . 2]" 1
949 1 33 VAL QG 1 36 VAL HA . . 4.370 3.842 3.804 3.888 . 0 0 "[ . 1 . 2]" 1
950 1 33 VAL QG 1 36 VAL HB . . 4.760 4.466 4.424 4.561 . 0 0 "[ . 1 . 2]" 1
951 1 33 VAL QG 1 36 VAL QG . . 3.100 2.090 2.061 2.163 . 0 0 "[ . 1 . 2]" 1
952 1 33 VAL QG 1 42 PHE HB3 . . 3.760 2.996 2.912 3.109 . 0 0 "[ . 1 . 2]" 1
953 1 33 VAL QG 1 42 PHE QD . . 4.100 3.083 2.941 3.287 . 0 0 "[ . 1 . 2]" 1
954 1 33 VAL MG1 1 34 ALA HA . . 5.470 3.894 3.673 4.061 . 0 0 "[ . 1 . 2]" 1
955 1 33 VAL MG1 1 42 PHE HA . . 5.500 4.896 4.716 5.131 . 0 0 "[ . 1 . 2]" 1
956 1 33 VAL MG1 1 42 PHE HB2 . . 4.110 3.018 2.730 3.292 . 0 0 "[ . 1 . 2]" 1
957 1 33 VAL MG1 1 42 PHE QD . . 5.030 3.406 3.220 3.675 . 0 0 "[ . 1 . 2]" 1
958 1 33 VAL MG2 1 34 ALA HA . . 5.470 5.544 5.521 5.562 0.092 14 0 "[ . 1 . 2]" 1
959 1 33 VAL MG2 1 42 PHE HA . . 5.500 4.211 4.077 4.291 . 0 0 "[ . 1 . 2]" 1
960 1 33 VAL MG2 1 42 PHE HB2 . . 4.110 2.580 2.453 2.687 . 0 0 "[ . 1 . 2]" 1
961 1 33 VAL MG2 1 42 PHE QD . . 5.030 3.525 3.320 3.705 . 0 0 "[ . 1 . 2]" 1
962 1 34 ALA H 1 34 ALA MB . . 3.100 2.375 2.310 2.478 . 0 0 "[ . 1 . 2]" 1
963 1 34 ALA H 1 35 PHE H . . 2.750 1.899 1.852 1.967 . 0 0 "[ . 1 . 2]" 1
964 1 34 ALA H 1 35 PHE HB3 . . 5.100 4.884 4.834 5.062 . 0 0 "[ . 1 . 2]" 1
965 1 34 ALA MB 1 35 PHE H . . 3.220 2.965 2.785 3.034 . 0 0 "[ . 1 . 2]" 1
966 1 34 ALA MB 1 35 PHE HA . . 4.710 4.323 4.251 4.365 . 0 0 "[ . 1 . 2]" 1
967 1 34 ALA MB 1 35 PHE HB2 . . 4.910 4.851 4.811 4.903 . 0 0 "[ . 1 . 2]" 1
968 1 34 ALA MB 1 35 PHE HB3 . . 4.440 3.441 3.363 3.552 . 0 0 "[ . 1 . 2]" 1
969 1 34 ALA MB 1 35 PHE QD . . 4.220 2.318 2.128 2.476 . 0 0 "[ . 1 . 2]" 1
970 1 35 PHE H 1 35 PHE HB2 . . 4.090 3.987 3.932 3.999 . 0 0 "[ . 1 . 2]" 1
971 1 35 PHE H 1 35 PHE HB3 . . 3.550 3.370 3.332 3.404 . 0 0 "[ . 1 . 2]" 1
972 1 35 PHE H 1 35 PHE QD . . 4.260 2.813 2.691 2.961 . 0 0 "[ . 1 . 2]" 1
973 1 35 PHE H 1 36 VAL H . . 4.340 4.129 4.114 4.200 . 0 0 "[ . 1 . 2]" 1
974 1 35 PHE H 1 36 VAL HA . . 5.190 4.582 4.575 4.634 . 0 0 "[ . 1 . 2]" 1
975 1 35 PHE H 1 36 VAL MG1 . . 5.280 4.021 3.984 4.128 . 0 0 "[ . 1 . 2]" 1
976 1 35 PHE H 1 36 VAL QG . . 4.650 3.798 3.762 3.905 . 0 0 "[ . 1 . 2]" 1
977 1 35 PHE H 1 36 VAL MG2 . . 5.280 4.669 4.616 4.905 . 0 0 "[ . 1 . 2]" 1
978 1 35 PHE H 1 37 LEU QD . . 5.440 5.466 5.393 5.615 0.175 20 0 "[ . 1 . 2]" 1
979 1 35 PHE HA 1 35 PHE QD . . 3.850 3.723 3.711 3.727 . 0 0 "[ . 1 . 2]" 1
980 1 35 PHE HA 1 36 VAL H . . 2.730 2.156 2.149 2.163 . 0 0 "[ . 1 . 2]" 1
981 1 35 PHE HA 1 36 VAL MG1 . . 5.500 4.231 4.143 4.254 . 0 0 "[ . 1 . 2]" 1
982 1 35 PHE HA 1 36 VAL QG . . 4.500 3.205 3.195 3.245 . 0 0 "[ . 1 . 2]" 1
983 1 35 PHE HA 1 36 VAL MG2 . . 5.500 3.319 3.305 3.390 . 0 0 "[ . 1 . 2]" 1
984 1 35 PHE HB2 1 36 VAL H . . 3.930 3.262 3.215 3.323 . 0 0 "[ . 1 . 2]" 1
985 1 35 PHE HB2 1 36 VAL QG . . 5.440 4.424 4.391 4.436 . 0 0 "[ . 1 . 2]" 1
986 1 35 PHE HB2 1 37 LEU QD . . 5.440 3.774 3.690 4.016 . 0 0 "[ . 1 . 2]" 1
987 1 35 PHE HB3 1 36 VAL H . . 4.530 4.245 4.204 4.256 . 0 0 "[ . 1 . 2]" 1
988 1 35 PHE QD 1 36 VAL H . . 4.790 4.156 4.044 4.348 . 0 0 "[ . 1 . 2]" 1
989 1 35 PHE QD 1 37 LEU MD1 . . 5.180 4.167 2.405 4.399 . 0 0 "[ . 1 . 2]" 1
990 1 35 PHE QD 1 37 LEU QD . . 4.420 2.352 2.300 2.433 . 0 0 "[ . 1 . 2]" 1
991 1 35 PHE QD 1 37 LEU MD2 . . 5.180 2.607 2.309 4.876 . 0 0 "[ . 1 . 2]" 1
992 1 36 VAL H 1 36 VAL HB . . 3.690 3.627 3.624 3.633 . 0 0 "[ . 1 . 2]" 1
993 1 36 VAL H 1 36 VAL MG1 . . 4.450 3.232 3.074 3.261 . 0 0 "[ . 1 . 2]" 1
994 1 36 VAL H 1 36 VAL QG . . 3.160 1.920 1.853 1.936 . 0 0 "[ . 1 . 2]" 1
995 1 36 VAL H 1 36 VAL MG2 . . 4.450 1.935 1.869 1.950 . 0 0 "[ . 1 . 2]" 1
996 1 36 VAL H 1 37 LEU H . . 4.570 4.513 4.508 4.536 . 0 0 "[ . 1 . 2]" 1
997 1 36 VAL HA 1 36 VAL MG1 . . 3.590 2.150 2.124 2.215 . 0 0 "[ . 1 . 2]" 1
998 1 36 VAL HA 1 36 VAL QG . . 2.930 2.116 2.093 2.175 . 0 0 "[ . 1 . 2]" 1
999 1 36 VAL HA 1 36 VAL MG2 . . 3.590 3.160 3.156 3.173 . 0 0 "[ . 1 . 2]" 1
1000 1 36 VAL HA 1 37 LEU H . . 2.680 2.344 2.285 2.356 . 0 0 "[ . 1 . 2]" 1
1001 1 36 VAL HA 1 37 LEU QD . . 4.380 2.981 2.885 3.584 . 0 0 "[ . 1 . 2]" 1
1002 1 36 VAL HA 1 37 LEU HG . . 5.300 5.412 5.293 5.438 0.138 12 0 "[ . 1 . 2]" 1
1003 1 36 VAL HA 1 40 THR MG . . 4.030 4.066 4.033 4.083 0.053 15 0 "[ . 1 . 2]" 1
1004 1 36 VAL HB 1 40 THR HB . . 3.410 3.416 3.388 3.431 0.021 16 0 "[ . 1 . 2]" 1
1005 1 36 VAL HB 1 42 PHE QD . . 4.700 3.405 3.332 3.470 . 0 0 "[ . 1 . 2]" 1
1006 1 36 VAL HB 1 42 PHE QE . . 4.710 3.370 3.319 3.471 . 0 0 "[ . 1 . 2]" 1
1007 1 36 VAL QG 1 37 LEU H . . 3.630 3.148 3.126 3.243 . 0 0 "[ . 1 . 2]" 1
1008 1 36 VAL QG 1 37 LEU QD . . 4.860 3.793 3.735 4.295 . 0 0 "[ . 1 . 2]" 1
1009 1 36 VAL QG 1 38 PRO HA . . 5.440 5.402 5.379 5.467 0.027 11 0 "[ . 1 . 2]" 1
1010 1 36 VAL QG 1 40 THR H . . 5.440 4.750 4.732 4.830 . 0 0 "[ . 1 . 2]" 1
1011 1 36 VAL QG 1 40 THR HB . . 3.210 3.221 3.212 3.263 0.053 11 0 "[ . 1 . 2]" 1
1012 1 36 VAL QG 1 40 THR MG . . 2.930 2.883 2.776 2.948 0.018 5 0 "[ . 1 . 2]" 1
1013 1 36 VAL QG 1 41 ALA H . . 5.240 5.380 5.360 5.405 0.165 11 0 "[ . 1 . 2]" 1
1014 1 36 VAL QG 1 42 PHE H . . 4.930 3.978 3.912 4.006 . 0 0 "[ . 1 . 2]" 1
1015 1 36 VAL QG 1 42 PHE HA . . 4.830 4.388 4.291 4.449 . 0 0 "[ . 1 . 2]" 1
1016 1 36 VAL QG 1 42 PHE HB2 . . 4.080 3.262 3.156 3.298 . 0 0 "[ . 1 . 2]" 1
1017 1 36 VAL QG 1 42 PHE HB3 . . 3.880 2.423 2.310 2.473 . 0 0 "[ . 1 . 2]" 1
1018 1 36 VAL QG 1 42 PHE QD . . 3.140 2.295 2.260 2.361 . 0 0 "[ . 1 . 2]" 1
1019 1 36 VAL QG 1 42 PHE QE . . 3.370 2.590 2.559 2.629 . 0 0 "[ . 1 . 2]" 1
1020 1 36 VAL QG 1 52 MET ME . . 4.670 3.007 2.892 3.113 . 0 0 "[ . 1 . 2]" 1
1021 1 36 VAL MG1 1 37 LEU H . . 4.420 3.332 3.300 3.459 . 0 0 "[ . 1 . 2]" 1
1022 1 36 VAL MG1 1 42 PHE HB2 . . 5.500 3.298 3.188 3.334 . 0 0 "[ . 1 . 2]" 1
1023 1 36 VAL MG1 1 42 PHE HB3 . . 4.910 2.431 2.316 2.481 . 0 0 "[ . 1 . 2]" 1
1024 1 36 VAL MG1 1 42 PHE QD . . 3.670 2.322 2.284 2.389 . 0 0 "[ . 1 . 2]" 1
1025 1 36 VAL MG1 1 42 PHE QE . . 3.900 3.150 3.076 3.218 . 0 0 "[ . 1 . 2]" 1
1026 1 36 VAL MG2 1 37 LEU H . . 4.420 3.874 3.855 3.919 . 0 0 "[ . 1 . 2]" 1
1027 1 36 VAL MG2 1 42 PHE HB2 . . 5.500 5.174 5.062 5.273 . 0 0 "[ . 1 . 2]" 1
1028 1 36 VAL MG2 1 42 PHE HB3 . . 4.910 4.686 4.568 4.787 . 0 0 "[ . 1 . 2]" 1
1029 1 36 VAL MG2 1 42 PHE QD . . 3.670 3.608 3.524 3.680 0.010 20 0 "[ . 1 . 2]" 1
1030 1 36 VAL MG2 1 42 PHE QE . . 3.900 2.755 2.697 2.817 . 0 0 "[ . 1 . 2]" 1
1031 1 37 LEU H 1 37 LEU QB . . 3.100 2.351 2.312 2.357 . 0 0 "[ . 1 . 2]" 1
1032 1 37 LEU H 1 37 LEU QD . . 3.620 2.668 2.577 3.123 . 0 0 "[ . 1 . 2]" 1
1033 1 37 LEU H 1 38 PRO HD2 . . 4.800 4.754 4.731 4.758 . 0 0 "[ . 1 . 2]" 1
1034 1 37 LEU H 1 38 PRO HD3 . . 5.140 5.077 5.074 5.091 . 0 0 "[ . 1 . 2]" 1
1035 1 37 LEU H 1 40 THR H . . 4.390 3.872 3.820 4.048 . 0 0 "[ . 1 . 2]" 1
1036 1 37 LEU HA 1 37 LEU MD1 . . 3.180 2.323 2.190 3.143 . 0 0 "[ . 1 . 2]" 1
1037 1 37 LEU HA 1 37 LEU MD2 . . 3.180 2.348 2.181 3.468 0.288 20 0 "[ . 1 . 2]" 1
1038 1 37 LEU HA 1 37 LEU HG . . 4.220 3.567 2.193 3.721 . 0 0 "[ . 1 . 2]" 1
1039 1 37 LEU HA 1 38 PRO HB3 . . 5.500 4.880 4.878 4.894 . 0 0 "[ . 1 . 2]" 1
1040 1 37 LEU HA 1 38 PRO HD2 . . 3.580 2.547 2.540 2.593 . 0 0 "[ . 1 . 2]" 1
1041 1 37 LEU HA 1 38 PRO HD3 . . 3.450 2.369 2.364 2.395 . 0 0 "[ . 1 . 2]" 1
1042 1 37 LEU HA 1 38 PRO HG2 . . 5.140 4.634 4.628 4.672 . 0 0 "[ . 1 . 2]" 1
1043 1 37 LEU HA 1 38 PRO HG3 . . 4.920 4.568 4.563 4.601 . 0 0 "[ . 1 . 2]" 1
1044 1 37 LEU QB 1 37 LEU MD1 . . 2.940 2.187 2.046 2.233 . 0 0 "[ . 1 . 2]" 1
1045 1 37 LEU QB 1 37 LEU MD2 . . 2.940 2.372 2.074 2.427 . 0 0 "[ . 1 . 2]" 1
1046 1 37 LEU QB 1 38 PRO HD2 . . 3.450 1.857 1.847 1.897 . 0 0 "[ . 1 . 2]" 1
1047 1 37 LEU QB 1 38 PRO HD3 . . 3.700 3.252 3.245 3.277 . 0 0 "[ . 1 . 2]" 1
1048 1 37 LEU QB 1 38 PRO HG3 . . 5.200 4.375 4.368 4.391 . 0 0 "[ . 1 . 2]" 1
1049 1 37 LEU QB 1 39 GLY H . . 4.660 4.343 4.293 4.499 . 0 0 "[ . 1 . 2]" 1
1050 1 37 LEU QD 1 38 PRO HD2 . . 3.560 1.947 1.887 2.116 . 0 0 "[ . 1 . 2]" 1
1051 1 37 LEU QD 1 38 PRO HD3 . . 3.590 2.573 2.415 3.419 . 0 0 "[ . 1 . 2]" 1
1052 1 37 LEU QD 1 38 PRO HG3 . . 5.440 3.705 3.644 4.014 . 0 0 "[ . 1 . 2]" 1
1053 1 37 LEU MD1 1 38 PRO HD2 . . 4.380 2.141 1.893 3.983 . 0 0 "[ . 1 . 2]" 1
1054 1 37 LEU MD1 1 38 PRO HD3 . . 5.130 2.725 2.435 4.688 . 0 0 "[ . 1 . 2]" 1
1055 1 37 LEU MD2 1 38 PRO HD2 . . 4.380 3.569 2.068 3.757 . 0 0 "[ . 1 . 2]" 1
1056 1 37 LEU MD2 1 38 PRO HD3 . . 5.130 3.929 3.454 4.015 . 0 0 "[ . 1 . 2]" 1
1057 1 37 LEU HG 1 38 PRO HD2 . . 4.700 3.659 2.691 3.795 . 0 0 "[ . 1 . 2]" 1
1058 1 38 PRO HA 1 39 GLY H . . 2.670 2.347 2.295 2.365 . 0 0 "[ . 1 . 2]" 1
1059 1 38 PRO HA 1 40 THR H . . 4.120 3.888 3.800 3.919 . 0 0 "[ . 1 . 2]" 1
1060 1 38 PRO HB2 1 39 GLY H . . 4.270 4.197 4.135 4.215 . 0 0 "[ . 1 . 2]" 1
1061 1 38 PRO HD3 1 39 GLY H . . 5.500 5.225 5.202 5.293 . 0 0 "[ . 1 . 2]" 1
1062 1 38 PRO HG2 1 39 GLY HA3 . . 5.500 4.955 4.949 4.972 . 0 0 "[ . 1 . 2]" 1
1063 1 39 GLY H 1 40 THR H . . 3.030 1.829 1.821 1.833 . 0 0 "[ . 1 . 2]" 1
1064 1 39 GLY H 1 40 THR HB . . 4.350 4.181 4.142 4.270 . 0 0 "[ . 1 . 2]" 1
1065 1 39 GLY HA2 1 40 THR HA . . 5.500 4.600 4.555 4.611 . 0 0 "[ . 1 . 2]" 1
1066 1 40 THR H 1 40 THR HB . . 2.760 2.536 2.499 2.606 . 0 0 "[ . 1 . 2]" 1
1067 1 40 THR H 1 40 THR MG . . 3.950 3.808 3.792 3.840 . 0 0 "[ . 1 . 2]" 1
1068 1 40 THR H 1 41 ALA H . . 4.430 4.504 4.473 4.511 0.081 5 0 "[ . 1 . 2]" 1
1069 1 40 THR H 1 42 PHE QD . . 5.260 5.098 5.054 5.130 . 0 0 "[ . 1 . 2]" 1
1070 1 40 THR H 1 42 PHE QE . . 5.500 5.559 5.543 5.595 0.095 12 0 "[ . 1 . 2]" 1
1071 1 40 THR HA 1 40 THR MG . . 2.830 2.345 2.276 2.422 . 0 0 "[ . 1 . 2]" 1
1072 1 40 THR HA 1 41 ALA H . . 2.420 2.176 2.171 2.181 . 0 0 "[ . 1 . 2]" 1
1073 1 40 THR HA 1 41 ALA HA . . 4.940 4.374 4.373 4.375 . 0 0 "[ . 1 . 2]" 1
1074 1 40 THR HA 1 41 ALA MB . . 4.310 3.892 3.871 3.964 . 0 0 "[ . 1 . 2]" 1
1075 1 40 THR HB 1 42 PHE H . . 5.330 5.345 5.279 5.367 0.037 5 0 "[ . 1 . 2]" 1
1076 1 40 THR HB 1 42 PHE HB3 . . 5.110 4.810 4.758 4.858 . 0 0 "[ . 1 . 2]" 1
1077 1 40 THR HB 1 42 PHE QD . . 5.210 3.899 3.872 3.923 . 0 0 "[ . 1 . 2]" 1
1078 1 40 THR HB 1 42 PHE QE . . 5.500 5.159 5.118 5.261 . 0 0 "[ . 1 . 2]" 1
1079 1 40 THR MG 1 41 ALA H . . 3.180 2.237 2.153 2.499 . 0 0 "[ . 1 . 2]" 1
1080 1 40 THR MG 1 41 ALA HA . . 4.220 3.885 3.769 3.962 . 0 0 "[ . 1 . 2]" 1
1081 1 40 THR MG 1 42 PHE H . . 4.210 4.126 3.893 4.232 0.022 20 0 "[ . 1 . 2]" 1
1082 1 40 THR MG 1 42 PHE HB3 . . 4.540 3.249 3.153 3.310 . 0 0 "[ . 1 . 2]" 1
1083 1 40 THR MG 1 42 PHE QD . . 3.870 3.485 3.316 3.571 . 0 0 "[ . 1 . 2]" 1
1084 1 40 THR MG 1 42 PHE QE . . 5.500 5.219 5.120 5.276 . 0 0 "[ . 1 . 2]" 1
1085 1 41 ALA H 1 41 ALA MB . . 2.830 2.218 2.165 2.340 . 0 0 "[ . 1 . 2]" 1
1086 1 41 ALA H 1 42 PHE H . . 4.520 4.355 4.326 4.367 . 0 0 "[ . 1 . 2]" 1
1087 1 41 ALA HA 1 42 PHE H . . 2.750 2.143 2.141 2.148 . 0 0 "[ . 1 . 2]" 1
1088 1 41 ALA HA 1 42 PHE HA . . 5.310 4.393 4.392 4.395 . 0 0 "[ . 1 . 2]" 1
1089 1 41 ALA HA 1 42 PHE QD . . 4.060 3.354 3.276 3.441 . 0 0 "[ . 1 . 2]" 1
1090 1 41 ALA HA 1 42 PHE QE . . 5.350 4.673 4.642 4.767 . 0 0 "[ . 1 . 2]" 1
1091 1 41 ALA HA 1 61 GLN HB2 . . 4.610 4.427 4.082 4.554 . 0 0 "[ . 1 . 2]" 1
1092 1 41 ALA HA 1 61 GLN QE . . 5.340 4.080 3.901 4.213 . 0 0 "[ . 1 . 2]" 1
1093 1 41 ALA MB 1 42 PHE H . . 3.530 3.324 3.291 3.368 . 0 0 "[ . 1 . 2]" 1
1094 1 41 ALA MB 1 42 PHE QD . . 4.930 4.646 4.593 4.716 . 0 0 "[ . 1 . 2]" 1
1095 1 41 ALA MB 1 61 GLN H . . 4.960 4.762 4.536 4.916 . 0 0 "[ . 1 . 2]" 1
1096 1 41 ALA MB 1 61 GLN HA . . 5.300 4.881 4.561 5.164 . 0 0 "[ . 1 . 2]" 1
1097 1 41 ALA MB 1 61 GLN HB3 . . 4.360 3.883 3.111 4.137 . 0 0 "[ . 1 . 2]" 1
1098 1 41 ALA MB 1 61 GLN HE21 . . 4.260 2.331 1.875 2.751 . 0 0 "[ . 1 . 2]" 1
1099 1 41 ALA MB 1 61 GLN QE . . 3.700 1.941 1.830 2.099 . 0 0 "[ . 1 . 2]" 1
1100 1 41 ALA MB 1 61 GLN HE22 . . 4.260 2.192 1.882 2.556 . 0 0 "[ . 1 . 2]" 1
1101 1 41 ALA MB 1 61 GLN HG2 . . 4.680 4.367 3.531 4.678 . 0 0 "[ . 1 . 2]" 1
1102 1 41 ALA MB 1 61 GLN QG . . 4.110 3.584 2.955 3.774 . 0 0 "[ . 1 . 2]" 1
1103 1 41 ALA MB 1 61 GLN HG3 . . 4.680 3.926 3.020 4.472 . 0 0 "[ . 1 . 2]" 1
1104 1 42 PHE H 1 42 PHE HB2 . . 4.180 3.757 3.745 3.774 . 0 0 "[ . 1 . 2]" 1
1105 1 42 PHE H 1 42 PHE HB3 . . 4.020 3.100 3.050 3.118 . 0 0 "[ . 1 . 2]" 1
1106 1 42 PHE H 1 42 PHE QD . . 3.220 2.237 2.174 2.269 . 0 0 "[ . 1 . 2]" 1
1107 1 42 PHE H 1 42 PHE QE . . 3.970 3.839 3.829 3.850 . 0 0 "[ . 1 . 2]" 1
1108 1 42 PHE H 1 43 ARG QG . . 5.340 5.007 4.961 5.044 . 0 0 "[ . 1 . 2]" 1
1109 1 42 PHE HA 1 42 PHE QD . . 3.800 3.706 3.701 3.714 . 0 0 "[ . 1 . 2]" 1
1110 1 42 PHE HA 1 43 ARG H . . 3.060 2.195 2.171 2.222 . 0 0 "[ . 1 . 2]" 1
1111 1 42 PHE HA 1 43 ARG QG . . 4.400 3.463 3.442 3.533 . 0 0 "[ . 1 . 2]" 1
1112 1 42 PHE HB2 1 43 ARG H . . 3.180 3.052 2.942 3.163 . 0 0 "[ . 1 . 2]" 1
1113 1 42 PHE HB2 1 43 ARG HA . . 5.290 4.852 4.797 4.907 . 0 0 "[ . 1 . 2]" 1
1114 1 42 PHE HB3 1 43 ARG H . . 4.300 4.076 4.015 4.144 . 0 0 "[ . 1 . 2]" 1
1115 1 42 PHE QD 1 43 ARG H . . 4.200 4.155 4.057 4.215 0.015 18 0 "[ . 1 . 2]" 1
1116 1 42 PHE QD 1 43 ARG HA . . 5.500 4.597 4.537 4.681 . 0 0 "[ . 1 . 2]" 1
1117 1 42 PHE QD 1 44 VAL HB . . 5.080 4.692 4.663 4.750 . 0 0 "[ . 1 . 2]" 1
1118 1 42 PHE QD 1 44 VAL MG1 . . 4.170 1.959 1.935 1.991 . 0 0 "[ . 1 . 2]" 1
1119 1 42 PHE QD 1 44 VAL QG . . 3.490 1.953 1.930 1.985 . 0 0 "[ . 1 . 2]" 1
1120 1 42 PHE QD 1 44 VAL MG2 . . 4.170 3.844 3.800 3.961 . 0 0 "[ . 1 . 2]" 1
1121 1 42 PHE QD 1 48 VAL QG . . 5.370 4.961 4.871 5.045 . 0 0 "[ . 1 . 2]" 1
1122 1 42 PHE QD 1 52 MET HG3 . . 5.500 5.308 5.146 5.504 0.004 9 0 "[ . 1 . 2]" 1
1123 1 42 PHE QD 1 58 ALA MB . . 5.500 4.825 4.774 4.861 . 0 0 "[ . 1 . 2]" 1
1124 1 42 PHE QE 1 44 VAL HA . . 5.500 5.516 5.496 5.544 0.044 3 0 "[ . 1 . 2]" 1
1125 1 42 PHE QE 1 44 VAL MG1 . . 4.010 2.075 2.039 2.129 . 0 0 "[ . 1 . 2]" 1
1126 1 42 PHE QE 1 44 VAL QG . . 3.310 2.050 2.017 2.105 . 0 0 "[ . 1 . 2]" 1
1127 1 42 PHE QE 1 44 VAL MG2 . . 4.010 3.212 3.111 3.452 . 0 0 "[ . 1 . 2]" 1
1128 1 42 PHE QE 1 48 VAL QG . . 5.440 3.934 3.839 4.017 . 0 0 "[ . 1 . 2]" 1
1129 1 42 PHE QE 1 52 MET ME . . 2.960 2.076 1.982 2.159 . 0 0 "[ . 1 . 2]" 1
1130 1 42 PHE QE 1 58 ALA HA . . 5.180 4.832 4.729 4.896 . 0 0 "[ . 1 . 2]" 1
1131 1 42 PHE QE 1 58 ALA MB . . 3.670 3.021 2.947 3.067 . 0 0 "[ . 1 . 2]" 1
1132 1 43 ARG H 1 43 ARG HB2 . . 3.430 2.727 2.681 2.765 . 0 0 "[ . 1 . 2]" 1
1133 1 43 ARG H 1 43 ARG HE . . 4.640 4.448 4.233 4.680 0.040 19 0 "[ . 1 . 2]" 1
1134 1 43 ARG H 1 43 ARG HG2 . . 3.710 2.773 2.518 3.000 . 0 0 "[ . 1 . 2]" 1
1135 1 43 ARG H 1 43 ARG QG . . 3.160 2.187 2.115 2.317 . 0 0 "[ . 1 . 2]" 1
1136 1 43 ARG H 1 43 ARG HG3 . . 3.710 2.308 2.184 2.613 . 0 0 "[ . 1 . 2]" 1
1137 1 43 ARG H 1 44 VAL H . . 4.720 4.541 4.527 4.554 . 0 0 "[ . 1 . 2]" 1
1138 1 43 ARG H 1 44 VAL QG . . 4.220 4.113 4.048 4.181 . 0 0 "[ . 1 . 2]" 1
1139 1 43 ARG HA 1 43 ARG HD2 . . 4.960 4.490 4.338 4.696 . 0 0 "[ . 1 . 2]" 1
1140 1 43 ARG HA 1 43 ARG QD . . 4.180 3.862 3.736 4.111 . 0 0 "[ . 1 . 2]" 1
1141 1 43 ARG HA 1 43 ARG HD3 . . 4.960 4.219 3.981 4.542 . 0 0 "[ . 1 . 2]" 1
1142 1 43 ARG HA 1 43 ARG HE . . 5.480 4.910 2.860 5.460 . 0 0 "[ . 1 . 2]" 1
1143 1 43 ARG HA 1 43 ARG QG . . 3.490 2.596 2.565 2.625 . 0 0 "[ . 1 . 2]" 1
1144 1 43 ARG HA 1 44 VAL H . . 2.690 2.178 2.167 2.187 . 0 0 "[ . 1 . 2]" 1
1145 1 43 ARG HA 1 44 VAL MG1 . . 5.500 3.814 3.737 3.878 . 0 0 "[ . 1 . 2]" 1
1146 1 43 ARG HA 1 44 VAL QG . . 4.050 3.301 3.258 3.320 . 0 0 "[ . 1 . 2]" 1
1147 1 43 ARG HA 1 44 VAL MG2 . . 5.500 3.617 3.501 3.691 . 0 0 "[ . 1 . 2]" 1
1148 1 43 ARG HB2 1 43 ARG QD . . 3.410 2.621 2.504 2.911 . 0 0 "[ . 1 . 2]" 1
1149 1 43 ARG HB2 1 44 VAL H . . 4.050 3.900 3.865 3.935 . 0 0 "[ . 1 . 2]" 1
1150 1 43 ARG HB2 1 44 VAL QG . . 4.610 4.444 4.414 4.495 . 0 0 "[ . 1 . 2]" 1
1151 1 43 ARG HB3 1 43 ARG HD2 . . 4.020 2.656 2.294 3.533 . 0 0 "[ . 1 . 2]" 1
1152 1 43 ARG HB3 1 43 ARG QD . . 3.330 2.308 2.210 2.561 . 0 0 "[ . 1 . 2]" 1
1153 1 43 ARG HB3 1 43 ARG HD3 . . 4.020 2.678 2.456 2.911 . 0 0 "[ . 1 . 2]" 1
1154 1 43 ARG HB3 1 44 VAL H . . 3.620 3.175 3.126 3.244 . 0 0 "[ . 1 . 2]" 1
1155 1 43 ARG HE 1 43 ARG HG2 . . 3.410 2.829 2.537 3.082 . 0 0 "[ . 1 . 2]" 1
1156 1 43 ARG HE 1 43 ARG HG3 . . 3.410 2.532 2.137 3.596 0.186 10 0 "[ . 1 . 2]" 1
1157 1 44 VAL H 1 44 VAL MG1 . . 4.140 3.111 3.073 3.158 . 0 0 "[ . 1 . 2]" 1
1158 1 44 VAL H 1 44 VAL QG . . 2.930 2.037 1.981 2.266 . 0 0 "[ . 1 . 2]" 1
1159 1 44 VAL H 1 44 VAL MG2 . . 4.140 2.066 2.005 2.334 . 0 0 "[ . 1 . 2]" 1
1160 1 44 VAL H 1 45 SER H . . 4.620 4.416 4.405 4.431 . 0 0 "[ . 1 . 2]" 1
1161 1 44 VAL HA 1 44 VAL MG1 . . 3.360 2.244 2.207 2.277 . 0 0 "[ . 1 . 2]" 1
1162 1 44 VAL HA 1 44 VAL QG . . 2.790 2.201 2.169 2.231 . 0 0 "[ . 1 . 2]" 1
1163 1 44 VAL HA 1 44 VAL MG2 . . 3.360 3.193 3.190 3.202 . 0 0 "[ . 1 . 2]" 1
1164 1 44 VAL HA 1 45 SER H . . 2.870 2.547 2.479 2.569 . 0 0 "[ . 1 . 2]" 1
1165 1 44 VAL HA 1 45 SER HB2 . . 5.500 5.104 4.722 5.562 0.062 6 0 "[ . 1 . 2]" 1
1166 1 44 VAL HA 1 45 SER HB3 . . 5.500 5.234 4.948 5.564 0.064 13 0 "[ . 1 . 2]" 1
1167 1 44 VAL HA 1 48 VAL HB . . 4.790 4.460 4.291 4.568 . 0 0 "[ . 1 . 2]" 1
1168 1 44 VAL HA 1 48 VAL MG1 . . 5.260 4.503 4.298 4.635 . 0 0 "[ . 1 . 2]" 1
1169 1 44 VAL HA 1 48 VAL QG . . 4.510 4.017 3.845 4.107 . 0 0 "[ . 1 . 2]" 1
1170 1 44 VAL HA 1 48 VAL MG2 . . 5.260 4.516 4.335 4.618 . 0 0 "[ . 1 . 2]" 1
1171 1 44 VAL HA 1 49 ALA MB . . 5.500 5.554 5.539 5.586 0.086 14 0 "[ . 1 . 2]" 1
1172 1 44 VAL HB 1 45 SER H . . 2.790 2.089 2.042 2.219 . 0 0 "[ . 1 . 2]" 1
1173 1 44 VAL HB 1 48 VAL HB . . 3.890 2.296 2.127 2.422 . 0 0 "[ . 1 . 2]" 1
1174 1 44 VAL HB 1 48 VAL MG1 . . 3.970 2.515 2.334 2.693 . 0 0 "[ . 1 . 2]" 1
1175 1 44 VAL HB 1 48 VAL QG . . 3.150 2.428 2.279 2.566 . 0 0 "[ . 1 . 2]" 1
1176 1 44 VAL HB 1 48 VAL MG2 . . 3.970 3.209 3.133 3.266 . 0 0 "[ . 1 . 2]" 1
1177 1 44 VAL HB 1 49 ALA H . . 4.830 3.808 3.640 3.951 . 0 0 "[ . 1 . 2]" 1
1178 1 44 VAL HB 1 49 ALA MB . . 5.260 4.293 4.195 4.397 . 0 0 "[ . 1 . 2]" 1
1179 1 44 VAL QG 1 45 SER H . . 3.530 2.956 2.884 3.052 . 0 0 "[ . 1 . 2]" 1
1180 1 44 VAL QG 1 45 SER HA . . 5.440 4.196 4.055 4.258 . 0 0 "[ . 1 . 2]" 1
1181 1 44 VAL QG 1 46 ALA HA . . 4.560 4.397 4.309 4.469 . 0 0 "[ . 1 . 2]" 1
1182 1 44 VAL QG 1 47 GLY H . . 5.440 5.301 5.228 5.375 . 0 0 "[ . 1 . 2]" 1
1183 1 44 VAL QG 1 48 VAL H . . 4.180 4.037 3.931 4.106 . 0 0 "[ . 1 . 2]" 1
1184 1 44 VAL QG 1 48 VAL HA . . 4.540 4.550 4.521 4.562 0.022 13 0 "[ . 1 . 2]" 1
1185 1 44 VAL QG 1 48 VAL HB . . 3.410 2.582 2.493 2.696 . 0 0 "[ . 1 . 2]" 1
1186 1 44 VAL QG 1 48 VAL QG . . 2.780 2.380 2.282 2.487 . 0 0 "[ . 1 . 2]" 1
1187 1 44 VAL QG 1 49 ALA H . . 3.110 2.325 2.275 2.493 . 0 0 "[ . 1 . 2]" 1
1188 1 44 VAL QG 1 49 ALA HA . . 3.270 2.614 2.515 2.657 . 0 0 "[ . 1 . 2]" 1
1189 1 44 VAL QG 1 49 ALA MB . . 2.790 2.155 2.121 2.220 . 0 0 "[ . 1 . 2]" 1
1190 1 44 VAL QG 1 50 ALA H . . 4.520 4.521 4.487 4.544 0.024 3 0 "[ . 1 . 2]" 1
1191 1 44 VAL QG 1 52 MET HB3 . . 5.400 4.427 4.317 4.556 . 0 0 "[ . 1 . 2]" 1
1192 1 44 VAL QG 1 52 MET ME . . 3.640 3.247 3.154 3.342 . 0 0 "[ . 1 . 2]" 1
1193 1 44 VAL QG 1 52 MET HG3 . . 5.350 2.824 2.658 3.065 . 0 0 "[ . 1 . 2]" 1
1194 1 44 VAL QG 1 53 THR H . . 5.440 5.406 5.216 5.466 0.026 3 0 "[ . 1 . 2]" 1
1195 1 44 VAL MG1 1 52 MET ME . . 4.190 3.428 3.329 3.540 . 0 0 "[ . 1 . 2]" 1
1196 1 44 VAL MG2 1 52 MET ME . . 4.190 4.023 3.884 4.137 . 0 0 "[ . 1 . 2]" 1
1197 1 45 SER H 1 45 SER HB2 . . 3.490 2.850 2.617 3.106 . 0 0 "[ . 1 . 2]" 1
1198 1 45 SER H 1 45 SER QB . . 3.040 2.535 2.254 2.886 . 0 0 "[ . 1 . 2]" 1
1199 1 45 SER H 1 45 SER HB3 . . 3.490 2.898 2.429 3.485 . 0 0 "[ . 1 . 2]" 1
1200 1 45 SER H 1 46 ALA H . . 4.670 4.622 4.612 4.637 . 0 0 "[ . 1 . 2]" 1
1201 1 45 SER H 1 48 VAL H . . 4.210 3.929 3.793 4.107 . 0 0 "[ . 1 . 2]" 1
1202 1 45 SER H 1 48 VAL HB . . 3.600 2.575 2.345 2.770 . 0 0 "[ . 1 . 2]" 1
1203 1 45 SER H 1 48 VAL QG . . 3.210 2.579 2.414 2.692 . 0 0 "[ . 1 . 2]" 1
1204 1 45 SER HA 1 46 ALA H . . 2.640 2.310 2.236 2.364 . 0 0 "[ . 1 . 2]" 1
1205 1 45 SER HA 1 46 ALA MB . . 5.500 4.085 4.049 4.120 . 0 0 "[ . 1 . 2]" 1
1206 1 45 SER HA 1 47 GLY H . . 4.830 4.137 3.989 4.210 . 0 0 "[ . 1 . 2]" 1
1207 1 45 SER QB 1 47 GLY H . . 3.940 2.925 2.472 3.252 . 0 0 "[ . 1 . 2]" 1
1208 1 45 SER QB 1 47 GLY HA3 . . 4.370 4.106 3.684 4.403 0.033 1 0 "[ . 1 . 2]" 1
1209 1 45 SER QB 1 48 VAL H . . 4.010 2.352 2.239 2.429 . 0 0 "[ . 1 . 2]" 1
1210 1 45 SER QB 1 48 VAL HB . . 4.810 3.012 2.743 3.411 . 0 0 "[ . 1 . 2]" 1
1211 1 45 SER QB 1 48 VAL QG . . 3.950 1.971 1.900 2.147 . 0 0 "[ . 1 . 2]" 1
1212 1 45 SER HB2 1 46 ALA H . . 3.730 3.604 3.344 3.799 0.069 14 0 "[ . 1 . 2]" 1
1213 1 45 SER HB2 1 48 VAL H . . 4.560 3.298 2.252 4.136 . 0 0 "[ . 1 . 2]" 1
1214 1 45 SER HB2 1 48 VAL HB . . 5.500 3.862 3.295 4.289 . 0 0 "[ . 1 . 2]" 1
1215 1 45 SER HB3 1 46 ALA H . . 3.730 3.469 3.080 3.763 0.033 19 0 "[ . 1 . 2]" 1
1216 1 45 SER HB3 1 48 VAL H . . 4.560 3.130 2.416 4.024 . 0 0 "[ . 1 . 2]" 1
1217 1 45 SER HB3 1 48 VAL HB . . 5.500 3.682 2.779 4.875 . 0 0 "[ . 1 . 2]" 1
1218 1 46 ALA H 1 46 ALA MB . . 2.660 2.177 2.032 2.235 . 0 0 "[ . 1 . 2]" 1
1219 1 46 ALA H 1 47 GLY H . . 3.470 2.716 2.642 2.812 . 0 0 "[ . 1 . 2]" 1
1220 1 46 ALA H 1 48 VAL H . . 4.500 4.154 4.101 4.232 . 0 0 "[ . 1 . 2]" 1
1221 1 46 ALA H 1 48 VAL HB . . 5.500 5.363 5.282 5.478 . 0 0 "[ . 1 . 2]" 1
1222 1 46 ALA H 1 49 ALA MB . . 5.150 4.944 4.817 5.001 . 0 0 "[ . 1 . 2]" 1
1223 1 46 ALA HA 1 48 VAL HB . . 5.500 5.504 5.438 5.535 0.035 12 0 "[ . 1 . 2]" 1
1224 1 46 ALA HA 1 48 VAL QG . . 5.440 5.376 5.297 5.438 . 0 0 "[ . 1 . 2]" 1
1225 1 46 ALA HA 1 49 ALA H . . 3.970 3.934 3.819 3.999 0.029 19 0 "[ . 1 . 2]" 1
1226 1 46 ALA HA 1 49 ALA MB . . 3.250 3.066 2.936 3.132 . 0 0 "[ . 1 . 2]" 1
1227 1 46 ALA MB 1 47 GLY H . . 3.410 2.738 2.664 2.849 . 0 0 "[ . 1 . 2]" 1
1228 1 46 ALA MB 1 48 VAL H . . 5.090 4.557 4.452 4.652 . 0 0 "[ . 1 . 2]" 1
1229 1 46 ALA MB 1 49 ALA MB . . 4.450 4.320 4.225 4.376 . 0 0 "[ . 1 . 2]" 1
1230 1 47 GLY H 1 48 VAL H . . 3.370 2.442 2.429 2.461 . 0 0 "[ . 1 . 2]" 1
1231 1 47 GLY H 1 48 VAL HB . . 5.210 4.693 4.661 4.733 . 0 0 "[ . 1 . 2]" 1
1232 1 47 GLY H 1 48 VAL QG . . 4.530 3.785 3.678 3.887 . 0 0 "[ . 1 . 2]" 1
1233 1 47 GLY H 1 49 ALA MB . . 5.170 4.886 4.841 4.967 . 0 0 "[ . 1 . 2]" 1
1234 1 47 GLY HA2 1 50 ALA H . . 4.160 3.703 3.619 3.807 . 0 0 "[ . 1 . 2]" 1
1235 1 47 GLY HA2 1 50 ALA MB . . 3.330 2.889 2.722 3.044 . 0 0 "[ . 1 . 2]" 1
1236 1 47 GLY HA3 1 48 VAL H . . 3.390 2.921 2.857 2.986 . 0 0 "[ . 1 . 2]" 1
1237 1 47 GLY HA3 1 50 ALA MB . . 4.620 4.204 4.079 4.349 . 0 0 "[ . 1 . 2]" 1
1238 1 48 VAL H 1 48 VAL HB . . 2.970 2.508 2.493 2.525 . 0 0 "[ . 1 . 2]" 1
1239 1 48 VAL H 1 48 VAL QG . . 2.920 2.149 2.098 2.190 . 0 0 "[ . 1 . 2]" 1
1240 1 48 VAL H 1 49 ALA H . . 2.770 2.662 2.546 2.747 . 0 0 "[ . 1 . 2]" 1
1241 1 48 VAL H 1 49 ALA MB . . 4.320 4.185 4.073 4.267 . 0 0 "[ . 1 . 2]" 1
1242 1 48 VAL H 1 50 ALA H . . 4.250 4.057 3.981 4.179 . 0 0 "[ . 1 . 2]" 1
1243 1 48 VAL H 1 50 ALA MB . . 5.500 4.692 4.624 4.788 . 0 0 "[ . 1 . 2]" 1
1244 1 48 VAL HA 1 48 VAL MG1 . . 3.020 2.341 2.297 2.406 . 0 0 "[ . 1 . 2]" 1
1245 1 48 VAL HA 1 48 VAL QG . . 2.550 2.111 2.071 2.150 . 0 0 "[ . 1 . 2]" 1
1246 1 48 VAL HA 1 48 VAL MG2 . . 3.020 2.400 2.342 2.427 . 0 0 "[ . 1 . 2]" 1
1247 1 48 VAL HA 1 50 ALA H . . 4.530 4.206 4.140 4.360 . 0 0 "[ . 1 . 2]" 1
1248 1 48 VAL HA 1 50 ALA MB . . 5.010 4.511 4.447 4.587 . 0 0 "[ . 1 . 2]" 1
1249 1 48 VAL HA 1 51 GLU H . . 3.740 3.590 3.551 3.622 . 0 0 "[ . 1 . 2]" 1
1250 1 48 VAL HA 1 51 GLU QB . . 3.400 3.379 3.166 3.414 0.014 15 0 "[ . 1 . 2]" 1
1251 1 48 VAL HA 1 51 GLU QG . . 5.120 4.191 3.548 5.131 0.011 6 0 "[ . 1 . 2]" 1
1252 1 48 VAL HA 1 52 MET H . . 4.530 4.489 4.195 4.539 0.009 8 0 "[ . 1 . 2]" 1
1253 1 48 VAL HA 1 52 MET HG3 . . 5.500 5.460 4.970 5.516 0.016 7 0 "[ . 1 . 2]" 1
1254 1 48 VAL HB 1 49 ALA H . . 3.200 2.429 2.399 2.469 . 0 0 "[ . 1 . 2]" 1
1255 1 48 VAL HB 1 49 ALA MB . . 4.270 3.990 3.966 4.014 . 0 0 "[ . 1 . 2]" 1
1256 1 48 VAL HB 1 50 ALA H . . 5.180 4.896 4.855 4.979 . 0 0 "[ . 1 . 2]" 1
1257 1 48 VAL QG 1 49 ALA H . . 3.660 3.100 3.054 3.144 . 0 0 "[ . 1 . 2]" 1
1258 1 48 VAL QG 1 49 ALA HA . . 3.910 3.392 3.259 3.510 . 0 0 "[ . 1 . 2]" 1
1259 1 48 VAL QG 1 51 GLU H . . 4.340 4.131 4.064 4.204 . 0 0 "[ . 1 . 2]" 1
1260 1 48 VAL QG 1 51 GLU QB . . 4.390 3.474 3.349 3.613 . 0 0 "[ . 1 . 2]" 1
1261 1 48 VAL QG 1 52 MET H . . 3.940 3.696 3.552 3.792 . 0 0 "[ . 1 . 2]" 1
1262 1 48 VAL QG 1 52 MET HB2 . . 4.610 4.293 3.827 4.435 . 0 0 "[ . 1 . 2]" 1
1263 1 48 VAL QG 1 52 MET HG2 . . 4.050 2.522 2.329 2.624 . 0 0 "[ . 1 . 2]" 1
1264 1 48 VAL QG 1 52 MET HG3 . . 3.930 2.793 2.304 2.916 . 0 0 "[ . 1 . 2]" 1
1265 1 48 VAL MG1 1 49 ALA H . . 4.310 3.296 3.222 3.374 . 0 0 "[ . 1 . 2]" 1
1266 1 48 VAL MG1 1 51 GLU H . . 5.500 4.294 4.205 4.396 . 0 0 "[ . 1 . 2]" 1
1267 1 48 VAL MG2 1 49 ALA H . . 4.310 3.775 3.739 3.804 . 0 0 "[ . 1 . 2]" 1
1268 1 48 VAL MG2 1 51 GLU H . . 5.500 5.375 5.322 5.400 . 0 0 "[ . 1 . 2]" 1
1269 1 49 ALA H 1 49 ALA MB . . 2.710 2.107 2.088 2.121 . 0 0 "[ . 1 . 2]" 1
1270 1 49 ALA H 1 50 ALA H . . 3.110 2.801 2.785 2.834 . 0 0 "[ . 1 . 2]" 1
1271 1 49 ALA H 1 50 ALA MB . . 4.640 4.394 4.347 4.454 . 0 0 "[ . 1 . 2]" 1
1272 1 49 ALA H 1 52 MET HB2 . . 5.400 5.105 4.876 5.204 . 0 0 "[ . 1 . 2]" 1
1273 1 49 ALA H 1 52 MET HG2 . . 5.250 4.439 4.330 5.000 . 0 0 "[ . 1 . 2]" 1
1274 1 49 ALA H 1 60 MET ME . . 5.500 4.777 4.610 4.928 . 0 0 "[ . 1 . 2]" 1
1275 1 49 ALA HA 1 50 ALA HA . . 4.980 4.882 4.874 4.885 . 0 0 "[ . 1 . 2]" 1
1276 1 49 ALA HA 1 50 ALA MB . . 5.260 4.993 4.980 5.015 . 0 0 "[ . 1 . 2]" 1
1277 1 49 ALA HA 1 51 GLU H . . 4.450 4.201 4.151 4.287 . 0 0 "[ . 1 . 2]" 1
1278 1 49 ALA HA 1 52 MET H . . 3.620 3.233 3.152 3.385 . 0 0 "[ . 1 . 2]" 1
1279 1 49 ALA HA 1 52 MET HB2 . . 3.640 2.438 2.311 2.532 . 0 0 "[ . 1 . 2]" 1
1280 1 49 ALA HA 1 52 MET HB3 . . 4.140 3.957 3.831 4.135 . 0 0 "[ . 1 . 2]" 1
1281 1 49 ALA HA 1 52 MET HG2 . . 4.510 2.828 2.694 3.605 . 0 0 "[ . 1 . 2]" 1
1282 1 49 ALA HA 1 52 MET HG3 . . 4.680 2.780 2.671 3.124 . 0 0 "[ . 1 . 2]" 1
1283 1 49 ALA HA 1 53 THR H . . 4.040 3.701 3.448 3.773 . 0 0 "[ . 1 . 2]" 1
1284 1 49 ALA HA 1 53 THR MG . . 4.490 3.643 3.249 3.931 . 0 0 "[ . 1 . 2]" 1
1285 1 49 ALA HA 1 60 MET ME . . 4.620 4.047 3.876 4.266 . 0 0 "[ . 1 . 2]" 1
1286 1 49 ALA MB 1 50 ALA H . . 3.000 2.729 2.649 2.761 . 0 0 "[ . 1 . 2]" 1
1287 1 49 ALA MB 1 50 ALA HA . . 4.200 3.775 3.742 3.791 . 0 0 "[ . 1 . 2]" 1
1288 1 49 ALA MB 1 50 ALA MB . . 3.950 3.932 3.886 3.950 0.000 7 0 "[ . 1 . 2]" 1
1289 1 49 ALA MB 1 51 GLU H . . 4.800 4.567 4.495 4.594 . 0 0 "[ . 1 . 2]" 1
1290 1 49 ALA MB 1 52 MET H . . 5.090 4.503 4.392 4.647 . 0 0 "[ . 1 . 2]" 1
1291 1 49 ALA MB 1 52 MET HG2 . . 5.500 4.408 4.298 5.037 . 0 0 "[ . 1 . 2]" 1
1292 1 49 ALA MB 1 60 MET HA . . 5.500 5.131 4.860 5.323 . 0 0 "[ . 1 . 2]" 1
1293 1 49 ALA MB 1 60 MET ME . . 2.890 1.972 1.831 2.116 . 0 0 "[ . 1 . 2]" 1
1294 1 50 ALA H 1 50 ALA MB . . 2.670 2.122 2.045 2.232 . 0 0 "[ . 1 . 2]" 1
1295 1 50 ALA H 1 51 GLU H . . 2.930 2.833 2.819 2.843 . 0 0 "[ . 1 . 2]" 1
1296 1 50 ALA H 1 52 MET H . . 4.540 4.260 4.106 4.436 . 0 0 "[ . 1 . 2]" 1
1297 1 50 ALA H 1 60 MET ME . . 4.540 4.356 4.196 4.509 . 0 0 "[ . 1 . 2]" 1
1298 1 50 ALA HA 1 53 THR H . . 4.360 4.114 4.056 4.182 . 0 0 "[ . 1 . 2]" 1
1299 1 50 ALA HA 1 53 THR MG . . 4.620 3.901 3.525 4.221 . 0 0 "[ . 1 . 2]" 1
1300 1 50 ALA HA 1 60 MET ME . . 4.390 4.083 3.879 4.406 0.016 12 0 "[ . 1 . 2]" 1
1301 1 50 ALA MB 1 51 GLU H . . 3.110 2.556 2.497 2.611 . 0 0 "[ . 1 . 2]" 1
1302 1 50 ALA MB 1 51 GLU QB . . 4.600 3.958 3.630 4.152 . 0 0 "[ . 1 . 2]" 1
1303 1 50 ALA MB 1 51 GLU QG . . 5.040 3.765 3.077 5.041 0.001 2 0 "[ . 1 . 2]" 1
1304 1 50 ALA MB 1 53 THR H . . 5.300 5.083 5.000 5.105 . 0 0 "[ . 1 . 2]" 1
1305 1 50 ALA MB 1 54 GLU H . . 5.220 4.941 4.826 4.997 . 0 0 "[ . 1 . 2]" 1
1306 1 50 ALA MB 1 54 GLU QB . . 5.440 4.264 3.980 4.513 . 0 0 "[ . 1 . 2]" 1
1307 1 50 ALA MB 1 60 MET ME . . 4.760 4.663 4.450 4.757 . 0 0 "[ . 1 . 2]" 1
1308 1 51 GLU H 1 51 GLU HB2 . . 3.630 2.279 2.184 2.505 . 0 0 "[ . 1 . 2]" 1
1309 1 51 GLU H 1 51 GLU QB . . 2.860 2.235 2.135 2.306 . 0 0 "[ . 1 . 2]" 1
1310 1 51 GLU H 1 51 GLU HB3 . . 3.630 3.367 2.600 3.574 . 0 0 "[ . 1 . 2]" 1
1311 1 51 GLU H 1 51 GLU QG . . 4.020 3.150 2.573 4.050 0.030 16 0 "[ . 1 . 2]" 1
1312 1 51 GLU H 1 52 MET H . . 2.860 2.521 2.468 2.591 . 0 0 "[ . 1 . 2]" 1
1313 1 51 GLU H 1 53 THR H . . 4.420 4.326 4.214 4.390 . 0 0 "[ . 1 . 2]" 1
1314 1 51 GLU H 1 54 GLU H . . 4.700 4.585 4.477 4.634 . 0 0 "[ . 1 . 2]" 1
1315 1 51 GLU HA 1 51 GLU QB . . 2.600 2.457 2.400 2.516 . 0 0 "[ . 1 . 2]" 1
1316 1 51 GLU HA 1 51 GLU QG . . 3.150 2.385 2.201 2.658 . 0 0 "[ . 1 . 2]" 1
1317 1 51 GLU HA 1 55 ARG QD . . 5.500 5.461 5.255 5.530 0.030 7 0 "[ . 1 . 2]" 1
1318 1 51 GLU QB 1 51 GLU QG . . 2.280 2.015 1.989 2.031 . 0 0 "[ . 1 . 2]" 1
1319 1 51 GLU QB 1 52 MET H . . 3.140 2.552 2.404 2.683 . 0 0 "[ . 1 . 2]" 1
1320 1 51 GLU QB 1 55 ARG QD . . 4.700 4.237 3.796 4.705 0.005 6 0 "[ . 1 . 2]" 1
1321 1 51 GLU HB2 1 51 GLU QG . . 2.760 2.187 2.129 2.425 . 0 0 "[ . 1 . 2]" 1
1322 1 51 GLU HB3 1 51 GLU QG . . 2.760 2.420 2.151 2.524 . 0 0 "[ . 1 . 2]" 1
1323 1 51 GLU QG 1 52 MET H . . 4.200 4.196 4.098 4.215 0.015 16 0 "[ . 1 . 2]" 1
1324 1 51 GLU QG 1 55 ARG QG . . 5.280 4.274 2.822 5.200 . 0 0 "[ . 1 . 2]" 1
1325 1 52 MET H 1 52 MET HB2 . . 3.100 2.614 2.531 2.641 . 0 0 "[ . 1 . 2]" 1
1326 1 52 MET H 1 52 MET HB3 . . 3.600 3.588 3.586 3.591 . 0 0 "[ . 1 . 2]" 1
1327 1 52 MET H 1 52 MET HG2 . . 3.480 1.972 1.940 2.113 . 0 0 "[ . 1 . 2]" 1
1328 1 52 MET H 1 52 MET HG3 . . 3.710 3.458 3.336 3.569 . 0 0 "[ . 1 . 2]" 1
1329 1 52 MET H 1 53 THR H . . 3.010 2.916 2.843 2.951 . 0 0 "[ . 1 . 2]" 1
1330 1 52 MET H 1 53 THR MG . . 5.450 4.373 4.257 4.534 . 0 0 "[ . 1 . 2]" 1
1331 1 52 MET H 1 54 GLU H . . 4.060 3.934 3.863 3.976 . 0 0 "[ . 1 . 2]" 1
1332 1 52 MET HA 1 52 MET ME . . 3.940 3.388 3.187 3.654 . 0 0 "[ . 1 . 2]" 1
1333 1 52 MET HA 1 52 MET HG2 . . 3.560 3.065 2.819 3.116 . 0 0 "[ . 1 . 2]" 1
1334 1 52 MET HA 1 52 MET HG3 . . 3.880 3.793 3.760 3.808 . 0 0 "[ . 1 . 2]" 1
1335 1 52 MET HA 1 55 ARG H . . 3.800 3.582 3.512 3.761 . 0 0 "[ . 1 . 2]" 1
1336 1 52 MET HA 1 55 ARG HB2 . . 3.550 3.078 2.821 3.298 . 0 0 "[ . 1 . 2]" 1
1337 1 52 MET HA 1 55 ARG QD . . 5.500 4.411 3.719 5.166 . 0 0 "[ . 1 . 2]" 1
1338 1 52 MET HA 1 57 LEU HB2 . . 5.410 4.712 4.276 4.973 . 0 0 "[ . 1 . 2]" 1
1339 1 52 MET HA 1 58 ALA MB . . 4.260 3.819 3.620 4.181 . 0 0 "[ . 1 . 2]" 1
1340 1 52 MET HB2 1 53 THR H . . 3.500 2.300 2.283 2.419 . 0 0 "[ . 1 . 2]" 1
1341 1 52 MET HB2 1 53 THR HA . . 4.840 4.216 4.181 4.297 . 0 0 "[ . 1 . 2]" 1
1342 1 52 MET HB2 1 58 ALA MB . . 4.790 3.444 3.350 3.685 . 0 0 "[ . 1 . 2]" 1
1343 1 52 MET HB3 1 52 MET ME . . 2.980 2.135 1.974 2.434 . 0 0 "[ . 1 . 2]" 1
1344 1 52 MET HB3 1 53 THR H . . 3.770 3.453 3.367 3.578 . 0 0 "[ . 1 . 2]" 1
1345 1 52 MET HB3 1 53 THR MG . . 4.080 3.893 3.747 3.973 . 0 0 "[ . 1 . 2]" 1
1346 1 52 MET HB3 1 57 LEU QD . . 5.440 5.302 5.059 5.437 . 0 0 "[ . 1 . 2]" 1
1347 1 52 MET HB3 1 58 ALA H . . 4.720 4.197 4.057 4.380 . 0 0 "[ . 1 . 2]" 1
1348 1 52 MET HB3 1 58 ALA MB . . 3.410 2.261 2.067 2.557 . 0 0 "[ . 1 . 2]" 1
1349 1 52 MET ME 1 52 MET HG2 . . 3.390 3.376 3.339 3.392 0.002 13 0 "[ . 1 . 2]" 1
1350 1 52 MET ME 1 52 MET HG3 . . 3.080 2.423 2.281 2.484 . 0 0 "[ . 1 . 2]" 1
1351 1 52 MET ME 1 57 LEU QD . . 4.260 4.200 4.058 4.261 0.001 20 0 "[ . 1 . 2]" 1
1352 1 52 MET ME 1 58 ALA HA . . 5.220 4.931 4.816 5.041 . 0 0 "[ . 1 . 2]" 1
1353 1 52 MET ME 1 58 ALA MB . . 2.850 2.438 2.302 2.596 . 0 0 "[ . 1 . 2]" 1
1354 1 52 MET HG2 1 53 THR H . . 4.530 4.096 4.054 4.274 . 0 0 "[ . 1 . 2]" 1
1355 1 52 MET HG3 1 53 THR H . . 4.830 4.604 4.532 4.712 . 0 0 "[ . 1 . 2]" 1
1356 1 53 THR H 1 53 THR HB . . 3.660 3.618 3.611 3.628 . 0 0 "[ . 1 . 2]" 1
1357 1 53 THR H 1 53 THR MG . . 3.010 2.086 1.935 2.295 . 0 0 "[ . 1 . 2]" 1
1358 1 53 THR H 1 54 GLU H . . 3.000 2.586 2.458 2.643 . 0 0 "[ . 1 . 2]" 1
1359 1 53 THR H 1 54 GLU QB . . 4.990 4.368 4.227 4.442 . 0 0 "[ . 1 . 2]" 1
1360 1 53 THR H 1 55 ARG H . . 4.230 4.028 3.946 4.074 . 0 0 "[ . 1 . 2]" 1
1361 1 53 THR H 1 55 ARG HB2 . . 5.430 5.277 5.081 5.436 0.006 4 0 "[ . 1 . 2]" 1
1362 1 53 THR H 1 58 ALA MB . . 4.700 4.399 4.314 4.498 . 0 0 "[ . 1 . 2]" 1
1363 1 53 THR HA 1 53 THR MG . . 2.900 2.421 2.349 2.467 . 0 0 "[ . 1 . 2]" 1
1364 1 53 THR HA 1 54 GLU HA . . 4.770 4.740 4.718 4.763 . 0 0 "[ . 1 . 2]" 1
1365 1 53 THR HA 1 55 ARG H . . 4.730 3.941 3.733 4.031 . 0 0 "[ . 1 . 2]" 1
1366 1 53 THR HA 1 56 GLY H . . 3.760 3.435 3.304 3.528 . 0 0 "[ . 1 . 2]" 1
1367 1 53 THR HA 1 56 GLY HA2 . . 5.160 4.269 3.986 4.448 . 0 0 "[ . 1 . 2]" 1
1368 1 53 THR HA 1 57 LEU H . . 5.110 4.325 4.036 4.769 . 0 0 "[ . 1 . 2]" 1
1369 1 53 THR HA 1 58 ALA H . . 3.780 3.590 3.387 3.687 . 0 0 "[ . 1 . 2]" 1
1370 1 53 THR HA 1 58 ALA HA . . 5.450 5.421 5.248 5.458 0.008 19 0 "[ . 1 . 2]" 1
1371 1 53 THR HA 1 58 ALA MB . . 4.030 3.917 3.579 4.034 0.004 18 0 "[ . 1 . 2]" 1
1372 1 53 THR HB 1 54 GLU H . . 4.180 3.949 3.859 4.012 . 0 0 "[ . 1 . 2]" 1
1373 1 53 THR HB 1 59 ARG QG . . 5.090 4.676 4.246 5.091 0.001 12 0 "[ . 1 . 2]" 1
1374 1 53 THR HB 1 60 MET ME . . 4.870 4.740 4.496 4.877 0.007 9 0 "[ . 1 . 2]" 1
1375 1 53 THR MG 1 54 GLU H . . 4.320 3.885 3.815 4.009 . 0 0 "[ . 1 . 2]" 1
1376 1 53 THR MG 1 54 GLU HA . . 5.500 5.409 5.383 5.436 . 0 0 "[ . 1 . 2]" 1
1377 1 53 THR MG 1 56 GLY H . . 5.300 5.275 5.136 5.304 0.004 2 0 "[ . 1 . 2]" 1
1378 1 53 THR MG 1 59 ARG HA . . 3.180 2.806 2.434 3.179 . 0 0 "[ . 1 . 2]" 1
1379 1 53 THR MG 1 59 ARG QB . . 5.340 4.621 4.268 4.943 . 0 0 "[ . 1 . 2]" 1
1380 1 53 THR MG 1 60 MET H . . 3.360 2.855 2.484 3.116 . 0 0 "[ . 1 . 2]" 1
1381 1 53 THR MG 1 60 MET HA . . 4.170 4.054 3.558 4.173 0.003 8 0 "[ . 1 . 2]" 1
1382 1 53 THR MG 1 60 MET HB3 . . 4.690 4.476 4.071 4.691 0.001 20 0 "[ . 1 . 2]" 1
1383 1 53 THR MG 1 60 MET ME . . 3.330 2.504 2.357 2.602 . 0 0 "[ . 1 . 2]" 1
1384 1 53 THR MG 1 60 MET HG2 . . 4.110 2.438 1.900 2.694 . 0 0 "[ . 1 . 2]" 1
1385 1 53 THR MG 1 60 MET QG . . 3.450 2.119 1.801 2.347 . 0 0 "[ . 1 . 2]" 1
1386 1 53 THR MG 1 60 MET HG3 . . 4.110 2.355 1.948 2.778 . 0 0 "[ . 1 . 2]" 1
1387 1 54 GLU H 1 54 GLU QB . . 3.290 2.216 2.136 2.276 . 0 0 "[ . 1 . 2]" 1
1388 1 54 GLU H 1 55 ARG H . . 2.970 2.474 2.426 2.522 . 0 0 "[ . 1 . 2]" 1
1389 1 54 GLU H 1 55 ARG QG . . 4.390 4.156 3.951 4.391 0.001 15 0 "[ . 1 . 2]" 1
1390 1 54 GLU H 1 56 GLY H . . 4.280 4.053 3.956 4.125 . 0 0 "[ . 1 . 2]" 1
1391 1 54 GLU HA 1 55 ARG H . . 3.500 3.444 3.381 3.464 . 0 0 "[ . 1 . 2]" 1
1392 1 54 GLU QB 1 55 ARG H . . 3.790 2.982 2.882 3.149 . 0 0 "[ . 1 . 2]" 1
1393 1 54 GLU QB 1 55 ARG QG . . 5.340 3.444 3.292 3.716 . 0 0 "[ . 1 . 2]" 1
1394 1 55 ARG H 1 55 ARG HB2 . . 3.020 2.408 2.272 2.531 . 0 0 "[ . 1 . 2]" 1
1395 1 55 ARG H 1 55 ARG HB3 . . 3.640 3.590 3.547 3.624 . 0 0 "[ . 1 . 2]" 1
1396 1 55 ARG H 1 55 ARG QD . . 4.770 4.389 4.138 4.576 . 0 0 "[ . 1 . 2]" 1
1397 1 55 ARG H 1 55 ARG HG2 . . 3.630 2.766 2.486 3.613 . 0 0 "[ . 1 . 2]" 1
1398 1 55 ARG H 1 55 ARG QG . . 3.030 2.578 2.375 2.962 . 0 0 "[ . 1 . 2]" 1
1399 1 55 ARG H 1 55 ARG HG3 . . 3.630 3.156 2.702 3.546 . 0 0 "[ . 1 . 2]" 1
1400 1 55 ARG H 1 57 LEU H . . 4.150 3.969 3.840 4.046 . 0 0 "[ . 1 . 2]" 1
1401 1 55 ARG H 1 57 LEU QD . . 4.960 4.770 4.595 4.899 . 0 0 "[ . 1 . 2]" 1
1402 1 55 ARG H 1 58 ALA H . . 4.940 4.866 4.784 4.942 0.002 12 0 "[ . 1 . 2]" 1
1403 1 55 ARG H 1 58 ALA MB . . 5.500 5.508 5.502 5.514 0.014 15 0 "[ . 1 . 2]" 1
1404 1 55 ARG HA 1 55 ARG QD . . 3.690 3.412 2.446 3.718 0.028 15 0 "[ . 1 . 2]" 1
1405 1 55 ARG HA 1 55 ARG HG2 . . 3.760 2.476 2.206 2.624 . 0 0 "[ . 1 . 2]" 1
1406 1 55 ARG HA 1 55 ARG QG . . 3.120 2.439 2.175 2.575 . 0 0 "[ . 1 . 2]" 1
1407 1 55 ARG HA 1 55 ARG HG3 . . 3.760 3.668 3.310 3.749 . 0 0 "[ . 1 . 2]" 1
1408 1 55 ARG HA 1 56 GLY H . . 3.530 3.466 3.445 3.491 . 0 0 "[ . 1 . 2]" 1
1409 1 55 ARG HA 1 56 GLY HA3 . . 5.430 4.531 4.517 4.537 . 0 0 "[ . 1 . 2]" 1
1410 1 55 ARG HA 1 57 LEU MD1 . . 5.500 4.296 4.069 4.580 . 0 0 "[ . 1 . 2]" 1
1411 1 55 ARG HA 1 57 LEU QD . . 4.370 4.116 3.964 4.265 . 0 0 "[ . 1 . 2]" 1
1412 1 55 ARG HA 1 57 LEU MD2 . . 5.500 5.329 4.838 5.501 0.001 6 0 "[ . 1 . 2]" 1
1413 1 55 ARG HA 1 57 LEU HG . . 4.640 4.374 4.161 4.521 . 0 0 "[ . 1 . 2]" 1
1414 1 55 ARG HB2 1 55 ARG QD . . 3.420 3.124 2.787 3.405 . 0 0 "[ . 1 . 2]" 1
1415 1 55 ARG HB2 1 55 ARG QG . . 2.590 2.140 2.131 2.185 . 0 0 "[ . 1 . 2]" 1
1416 1 55 ARG HB2 1 56 GLY H . . 3.980 2.998 2.874 3.128 . 0 0 "[ . 1 . 2]" 1
1417 1 55 ARG HB2 1 57 LEU H . . 3.420 2.829 2.519 3.202 . 0 0 "[ . 1 . 2]" 1
1418 1 55 ARG HB2 1 57 LEU QD . . 4.370 2.917 2.635 3.173 . 0 0 "[ . 1 . 2]" 1
1419 1 55 ARG HB3 1 55 ARG QD . . 3.430 2.194 1.932 2.472 . 0 0 "[ . 1 . 2]" 1
1420 1 55 ARG HB3 1 56 GLY H . . 4.120 3.886 3.759 4.022 . 0 0 "[ . 1 . 2]" 1
1421 1 55 ARG HB3 1 57 LEU H . . 4.100 3.561 3.234 3.925 . 0 0 "[ . 1 . 2]" 1
1422 1 55 ARG HB3 1 57 LEU QD . . 4.140 2.119 1.973 2.394 . 0 0 "[ . 1 . 2]" 1
1423 1 55 ARG HB3 1 57 LEU HG . . 4.030 2.546 2.139 2.932 . 0 0 "[ . 1 . 2]" 1
1424 1 55 ARG HB3 1 58 ALA H . . 5.430 5.215 4.906 5.432 0.002 7 0 "[ . 1 . 2]" 1
1425 1 55 ARG QD 1 57 LEU QD . . 3.520 2.510 2.004 3.160 . 0 0 "[ . 1 . 2]" 1
1426 1 55 ARG QG 1 56 GLY H . . 4.730 4.213 4.075 4.396 . 0 0 "[ . 1 . 2]" 1
1427 1 55 ARG QG 1 57 LEU QD . . 4.410 3.409 3.279 3.648 . 0 0 "[ . 1 . 2]" 1
1428 1 56 GLY H 1 56 GLY HA2 . . 2.840 2.324 2.316 2.335 . 0 0 "[ . 1 . 2]" 1
1429 1 56 GLY H 1 57 LEU H . . 3.020 2.424 2.354 2.564 . 0 0 "[ . 1 . 2]" 1
1430 1 56 GLY H 1 57 LEU QD . . 5.050 4.481 4.377 4.597 . 0 0 "[ . 1 . 2]" 1
1431 1 56 GLY H 1 57 LEU HG . . 4.410 4.111 3.926 4.239 . 0 0 "[ . 1 . 2]" 1
1432 1 56 GLY H 1 58 ALA H . . 3.960 3.590 3.464 3.697 . 0 0 "[ . 1 . 2]" 1
1433 1 56 GLY HA2 1 57 LEU HA . . 4.840 4.534 4.477 4.718 . 0 0 "[ . 1 . 2]" 1
1434 1 56 GLY HA2 1 57 LEU QD . . 5.440 4.875 4.624 5.023 . 0 0 "[ . 1 . 2]" 1
1435 1 56 GLY HA2 1 58 ALA H . . 4.100 3.947 3.697 4.089 . 0 0 "[ . 1 . 2]" 1
1436 1 56 GLY HA3 1 57 LEU HA . . 4.660 4.498 4.443 4.521 . 0 0 "[ . 1 . 2]" 1
1437 1 56 GLY HA3 1 57 LEU QD . . 5.150 4.248 3.839 4.471 . 0 0 "[ . 1 . 2]" 1
1438 1 56 GLY HA3 1 58 ALA H . . 5.150 4.950 4.610 5.075 . 0 0 "[ . 1 . 2]" 1
1439 1 57 LEU H 1 57 LEU HB2 . . 3.640 2.658 2.586 2.728 . 0 0 "[ . 1 . 2]" 1
1440 1 57 LEU H 1 57 LEU MD1 . . 4.080 3.570 3.421 3.803 . 0 0 "[ . 1 . 2]" 1
1441 1 57 LEU H 1 57 LEU QD . . 3.430 3.242 3.009 3.335 . 0 0 "[ . 1 . 2]" 1
1442 1 57 LEU H 1 57 LEU MD2 . . 4.080 3.744 3.294 3.973 . 0 0 "[ . 1 . 2]" 1
1443 1 57 LEU H 1 57 LEU HG . . 2.810 2.504 2.073 2.702 . 0 0 "[ . 1 . 2]" 1
1444 1 57 LEU H 1 58 ALA H . . 2.840 2.020 1.899 2.427 . 0 0 "[ . 1 . 2]" 1
1445 1 57 LEU H 1 58 ALA HA . . 5.180 4.767 4.657 5.108 . 0 0 "[ . 1 . 2]" 1
1446 1 57 LEU H 1 58 ALA MB . . 4.320 4.003 3.902 4.324 0.004 11 0 "[ . 1 . 2]" 1
1447 1 57 LEU HA 1 57 LEU QD . . 2.870 2.393 2.163 2.558 . 0 0 "[ . 1 . 2]" 1
1448 1 57 LEU HA 1 57 LEU HG . . 3.410 3.074 2.968 3.282 . 0 0 "[ . 1 . 2]" 1
1449 1 57 LEU HA 1 58 ALA MB . . 5.470 4.737 4.689 4.810 . 0 0 "[ . 1 . 2]" 1
1450 1 57 LEU HB2 1 57 LEU MD1 . . 3.660 2.052 1.992 2.167 . 0 0 "[ . 1 . 2]" 1
1451 1 57 LEU HB2 1 57 LEU MD2 . . 3.660 3.155 3.133 3.185 . 0 0 "[ . 1 . 2]" 1
1452 1 57 LEU HB2 1 58 ALA H . . 3.710 2.970 2.834 3.013 . 0 0 "[ . 1 . 2]" 1
1453 1 57 LEU HB2 1 58 ALA MB . . 4.130 3.479 3.336 3.538 . 0 0 "[ . 1 . 2]" 1
1454 1 57 LEU HB3 1 57 LEU QD . . 2.980 2.075 1.985 2.160 . 0 0 "[ . 1 . 2]" 1
1455 1 57 LEU QD 1 58 ALA H . . 4.710 4.108 4.012 4.172 . 0 0 "[ . 1 . 2]" 1
1456 1 58 ALA H 1 58 ALA MB . . 3.230 2.502 2.387 2.572 . 0 0 "[ . 1 . 2]" 1
1457 1 58 ALA H 1 59 ARG H . . 4.530 4.437 4.407 4.474 . 0 0 "[ . 1 . 2]" 1
1458 1 58 ALA HA 1 59 ARG H . . 2.940 2.291 2.256 2.350 . 0 0 "[ . 1 . 2]" 1
1459 1 58 ALA HA 1 59 ARG QB . . 5.080 3.911 3.832 3.951 . 0 0 "[ . 1 . 2]" 1
1460 1 58 ALA MB 1 59 ARG H . . 3.450 2.675 2.620 2.747 . 0 0 "[ . 1 . 2]" 1
1461 1 58 ALA MB 1 59 ARG HA . . 4.250 3.964 3.895 4.009 . 0 0 "[ . 1 . 2]" 1
1462 1 58 ALA MB 1 60 MET H . . 5.500 5.163 4.795 5.305 . 0 0 "[ . 1 . 2]" 1
1463 1 59 ARG H 1 59 ARG HB2 . . 3.700 2.914 2.654 3.082 . 0 0 "[ . 1 . 2]" 1
1464 1 59 ARG H 1 59 ARG HB3 . . 3.700 2.934 2.745 3.258 . 0 0 "[ . 1 . 2]" 1
1465 1 59 ARG H 1 59 ARG QD . . 5.150 4.705 4.469 4.859 . 0 0 "[ . 1 . 2]" 1
1466 1 59 ARG HA 1 59 ARG QD . . 4.150 3.844 3.212 4.079 . 0 0 "[ . 1 . 2]" 1
1467 1 59 ARG HA 1 59 ARG QG . . 3.510 2.289 2.105 2.423 . 0 0 "[ . 1 . 2]" 1
1468 1 59 ARG HA 1 60 MET H . . 2.770 2.236 2.152 2.286 . 0 0 "[ . 1 . 2]" 1
1469 1 59 ARG QB 1 59 ARG QD . . 2.890 2.068 1.963 2.127 . 0 0 "[ . 1 . 2]" 1
1470 1 59 ARG QB 1 60 MET H . . 3.800 3.460 3.197 3.745 . 0 0 "[ . 1 . 2]" 1
1471 1 59 ARG HB2 1 59 ARG QD . . 3.520 2.429 2.033 2.987 . 0 0 "[ . 1 . 2]" 1
1472 1 59 ARG HB3 1 59 ARG QD . . 3.520 2.394 2.009 2.928 . 0 0 "[ . 1 . 2]" 1
1473 1 59 ARG QD 1 60 MET H . . 5.050 4.312 3.404 4.859 . 0 0 "[ . 1 . 2]" 1
1474 1 59 ARG QG 1 60 MET H . . 3.700 2.362 2.044 2.818 . 0 0 "[ . 1 . 2]" 1
1475 1 60 MET H 1 60 MET HB2 . . 3.000 2.660 2.556 2.707 . 0 0 "[ . 1 . 2]" 1
1476 1 60 MET H 1 60 MET HB3 . . 3.790 3.588 3.578 3.609 . 0 0 "[ . 1 . 2]" 1
1477 1 60 MET H 1 60 MET HG2 . . 3.440 2.761 2.486 3.007 . 0 0 "[ . 1 . 2]" 1
1478 1 60 MET H 1 60 MET QG . . 2.890 2.093 1.980 2.234 . 0 0 "[ . 1 . 2]" 1
1479 1 60 MET H 1 60 MET HG3 . . 3.440 2.178 2.024 2.375 . 0 0 "[ . 1 . 2]" 1
1480 1 60 MET H 1 61 GLN H . . 4.630 4.567 4.411 4.628 . 0 0 "[ . 1 . 2]" 1
1481 1 60 MET HA 1 60 MET ME . . 4.410 3.901 3.423 4.082 . 0 0 "[ . 1 . 2]" 1
1482 1 60 MET HA 1 60 MET HG2 . . 4.080 2.549 2.443 2.623 . 0 0 "[ . 1 . 2]" 1
1483 1 60 MET HA 1 60 MET HG3 . . 4.080 3.476 3.380 3.602 . 0 0 "[ . 1 . 2]" 1
1484 1 60 MET HA 1 61 GLN H . . 2.610 2.177 2.142 2.246 . 0 0 "[ . 1 . 2]" 1
1485 1 60 MET HB2 1 61 GLN H . . 4.350 4.020 3.840 4.237 . 0 0 "[ . 1 . 2]" 1
1486 1 60 MET HB2 1 61 GLN HA . . 5.290 5.109 4.804 5.290 . 18 0 "[ . 1 . 2]" 1
1487 1 60 MET HB3 1 61 GLN H . . 3.710 3.189 2.864 3.609 . 0 0 "[ . 1 . 2]" 1
1488 1 60 MET ME 1 60 MET HG2 . . 3.300 2.046 1.989 2.145 . 0 0 "[ . 1 . 2]" 1
1489 1 60 MET ME 1 60 MET QG . . 2.870 2.016 1.966 2.102 . 0 0 "[ . 1 . 2]" 1
1490 1 60 MET ME 1 60 MET HG3 . . 3.300 3.049 2.852 3.274 . 0 0 "[ . 1 . 2]" 1
1491 1 60 MET HG2 1 61 GLN H . . 5.500 4.552 4.334 4.723 . 0 0 "[ . 1 . 2]" 1
1492 1 60 MET HG3 1 61 GLN H . . 5.500 5.331 5.211 5.414 . 0 0 "[ . 1 . 2]" 1
1493 1 61 GLN H 1 61 GLN HB2 . . 3.040 2.478 2.228 2.719 . 0 0 "[ . 1 . 2]" 1
1494 1 61 GLN H 1 61 GLN HB3 . . 3.100 2.626 2.452 2.871 . 0 0 "[ . 1 . 2]" 1
1495 1 61 GLN HA 1 61 GLN HB2 . . 3.010 2.512 2.421 2.620 . 0 0 "[ . 1 . 2]" 1
1496 1 61 GLN HA 1 61 GLN QE . . 5.340 4.387 4.001 4.882 . 0 0 "[ . 1 . 2]" 1
1497 1 61 GLN HA 1 61 GLN HG2 . . 3.460 3.186 2.230 3.459 . 0 0 "[ . 1 . 2]" 1
1498 1 61 GLN HA 1 61 GLN QG . . 2.900 2.347 2.164 2.505 . 0 0 "[ . 1 . 2]" 1
1499 1 61 GLN HA 1 61 GLN HG3 . . 3.460 2.472 2.189 3.128 . 0 0 "[ . 1 . 2]" 1
1500 1 61 GLN HB2 1 61 GLN QE . . 4.510 3.011 2.632 3.674 . 0 0 "[ . 1 . 2]" 1
1501 1 61 GLN HB3 1 61 GLN QE . . 4.230 3.503 3.124 3.774 . 0 0 "[ . 1 . 2]" 1
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