NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405518 |
1x5r   |
11206 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x5r
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 1790
_Distance_constraint_stats_list.Viol_count 1666
_Distance_constraint_stats_list.Viol_total 1984.150
_Distance_constraint_stats_list.Viol_max 0.795
_Distance_constraint_stats_list.Viol_rms 0.0259
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0595
_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 10 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.559 0.180 15 0 "[ . 1 . 2]"
1 12 VAL 0.099 0.075 7 0 "[ . 1 . 2]"
1 13 HIS 0.075 0.075 7 0 "[ . 1 . 2]"
1 14 THR 0.171 0.137 11 0 "[ . 1 . 2]"
1 15 GLU 5.146 0.566 2 1 "[ + . 1 . 2]"
1 16 THR 12.894 0.566 2 5 "[ + . * 1 * -* 2]"
1 17 THR 0.250 0.044 16 0 "[ . 1 . 2]"
1 18 GLU 1.753 0.067 16 0 "[ . 1 . 2]"
1 19 VAL 0.687 0.067 16 0 "[ . 1 . 2]"
1 20 VAL 0.342 0.046 20 0 "[ . 1 . 2]"
1 21 LEU 6.962 0.640 15 3 "[ .* 1 + - 2]"
1 22 CYS 9.735 0.640 15 3 "[ .* 1 + - 2]"
1 23 GLY 4.449 0.353 17 0 "[ . 1 . 2]"
1 24 ASP 0.106 0.106 18 0 "[ . 1 . 2]"
1 25 PRO 1.856 0.434 8 0 "[ . 1 . 2]"
1 26 LEU 2.181 0.090 16 0 "[ . 1 . 2]"
1 27 SER 0.597 0.106 18 0 "[ . 1 . 2]"
1 28 GLY 0.192 0.039 17 0 "[ . 1 . 2]"
1 29 PHE 3.112 0.343 4 0 "[ . 1 . 2]"
1 30 GLY 0.593 0.091 20 0 "[ . 1 . 2]"
1 31 LEU 0.356 0.044 17 0 "[ . 1 . 2]"
1 32 GLN 0.479 0.056 19 0 "[ . 1 . 2]"
1 33 LEU 0.551 0.098 20 0 "[ . 1 . 2]"
1 34 GLN 7.833 0.424 20 0 "[ . 1 . 2]"
1 35 GLY 3.708 0.424 20 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 4.393 0.795 11 2 "[ . 1+ . -]"
1 38 PHE 3.911 0.795 11 2 "[ . 1+ . -]"
1 39 ALA 0.142 0.070 8 0 "[ . 1 . 2]"
1 40 THR 0.721 0.218 3 0 "[ . 1 . 2]"
1 41 GLU 0.403 0.278 12 0 "[ . 1 . 2]"
1 42 THR 0.593 0.278 12 0 "[ . 1 . 2]"
1 43 LEU 0.151 0.026 20 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 SER 0.056 0.026 20 0 "[ . 1 . 2]"
1 46 PRO 0.672 0.083 17 0 "[ . 1 . 2]"
1 47 PRO 4.092 0.547 4 1 "[ +. 1 . 2]"
1 48 LEU 4.528 0.266 19 0 "[ . 1 . 2]"
1 49 VAL 1.060 0.093 6 0 "[ . 1 . 2]"
1 50 CYS 1.132 0.093 6 0 "[ . 1 . 2]"
1 51 PHE 1.042 0.098 20 0 "[ . 1 . 2]"
1 52 ILE 0.424 0.054 19 0 "[ . 1 . 2]"
1 53 GLU 0.628 0.054 19 0 "[ . 1 . 2]"
1 54 PRO 0.007 0.007 9 0 "[ . 1 . 2]"
1 55 ASP 0.202 0.028 5 0 "[ . 1 . 2]"
1 56 SER 0.800 0.039 20 0 "[ . 1 . 2]"
1 57 PRO 1.173 0.106 20 0 "[ . 1 . 2]"
1 58 ALA 0.442 0.056 13 0 "[ . 1 . 2]"
1 59 GLU 0.565 0.046 6 0 "[ . 1 . 2]"
1 60 ARG 1.210 0.082 18 0 "[ . 1 . 2]"
1 61 CYS 0.736 0.082 18 0 "[ . 1 . 2]"
1 62 GLY 0.003 0.003 17 0 "[ . 1 . 2]"
1 63 LEU 1.507 0.243 17 0 "[ . 1 . 2]"
1 64 LEU 1.381 0.243 17 0 "[ . 1 . 2]"
1 65 GLN 2.431 0.449 15 0 "[ . 1 . 2]"
1 66 VAL 2.297 0.449 15 0 "[ . 1 . 2]"
1 67 GLY 0.222 0.036 16 0 "[ . 1 . 2]"
1 68 ASP 0.206 0.105 17 0 "[ . 1 . 2]"
1 69 ARG 4.315 0.266 19 0 "[ . 1 . 2]"
1 70 VAL 4.546 0.547 4 1 "[ +. 1 . 2]"
1 71 LEU 1.602 0.340 12 0 "[ . 1 . 2]"
1 72 SER 0.649 0.063 3 0 "[ . 1 . 2]"
1 73 ILE 4.099 0.526 12 1 "[ . 1 + . 2]"
1 74 ASN 3.213 0.526 12 1 "[ . 1 + . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ILE 0.201 0.024 8 0 "[ . 1 . 2]"
1 77 ALA 0.806 0.184 15 0 "[ . 1 . 2]"
1 78 THR 0.071 0.014 19 0 "[ . 1 . 2]"
1 79 GLU 2.006 0.392 12 0 "[ . 1 . 2]"
1 80 ASP 1.156 0.156 12 0 "[ . 1 . 2]"
1 81 GLY 0.038 0.028 12 0 "[ . 1 . 2]"
1 82 THR 0.083 0.028 12 0 "[ . 1 . 2]"
1 83 MET 2.000 0.278 8 0 "[ . 1 . 2]"
1 84 GLU 0.486 0.308 14 0 "[ . 1 . 2]"
1 85 GLU 4.735 0.427 16 0 "[ . 1 . 2]"
1 86 ALA 0.296 0.045 14 0 "[ . 1 . 2]"
1 87 ASN 0.857 0.278 8 0 "[ . 1 . 2]"
1 88 GLN 2.394 0.160 13 0 "[ . 1 . 2]"
1 89 LEU 3.982 0.449 17 0 "[ . 1 . 2]"
1 90 LEU 1.191 0.114 2 0 "[ . 1 . 2]"
1 91 ARG 0.666 0.160 13 0 "[ . 1 . 2]"
1 92 ASP 3.820 0.449 17 0 "[ . 1 . 2]"
1 93 ALA 0.049 0.018 4 0 "[ . 1 . 2]"
1 94 ALA 1.769 0.434 8 0 "[ . 1 . 2]"
1 95 LEU 0.386 0.035 20 0 "[ . 1 . 2]"
1 96 ALA 0.591 0.075 19 0 "[ . 1 . 2]"
1 97 HIS 0.016 0.009 14 0 "[ . 1 . 2]"
1 98 LYS 6.654 0.672 9 7 "[ * . * +* * .* - 2]"
1 99 VAL 0.165 0.029 18 0 "[ . 1 . 2]"
1 100 VAL 2.633 0.161 17 0 "[ . 1 . 2]"
1 101 LEU 2.392 0.161 17 0 "[ . 1 . 2]"
1 102 GLU 9.363 0.562 15 4 "[ . * 1 + -* 2]"
1 103 VAL 0.997 0.039 20 0 "[ . 1 . 2]"
1 104 GLU 0.788 0.147 17 0 "[ . 1 . 2]"
1 105 PHE 0.719 0.147 17 0 "[ . 1 . 2]"
1 106 ASP 0.318 0.060 8 0 "[ . 1 . 2]"
1 107 SER 0.629 0.102 3 0 "[ . 1 . 2]"
1 108 GLY 0.278 0.102 3 0 "[ . 1 . 2]"
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 32 GLN H 1 50 CYS H . . 4.820 4.414 3.452 4.761 . 0 0 "[ . 1 . 2]" 1
2 1 33 LEU HA 1 50 CYS H . . 3.870 2.737 2.394 3.456 . 0 0 "[ . 1 . 2]" 1
3 1 49 VAL HB 1 50 CYS H . . 5.150 4.577 4.248 4.636 . 0 0 "[ . 1 . 2]" 1
4 1 49 VAL MG2 1 50 CYS H . . 4.150 4.156 3.826 4.243 0.093 6 0 "[ . 1 . 2]" 1
5 1 19 VAL H 1 101 LEU H . . 3.920 2.491 2.338 2.591 . 0 0 "[ . 1 . 2]" 1
6 1 19 VAL H 1 20 VAL H . . 5.060 4.426 4.240 4.545 . 0 0 "[ . 1 . 2]" 1
7 1 18 GLU H 1 19 VAL H . . 4.710 4.395 4.312 4.476 . 0 0 "[ . 1 . 2]" 1
8 1 19 VAL H 1 100 VAL HA . . 4.870 4.149 3.799 4.320 . 0 0 "[ . 1 . 2]" 1
9 1 18 GLU HB3 1 19 VAL H . . 4.300 4.320 4.196 4.367 0.067 16 0 "[ . 1 . 2]" 1
10 1 19 VAL H 1 101 LEU HB3 . . 5.020 4.728 4.132 4.975 . 0 0 "[ . 1 . 2]" 1
11 1 19 VAL H 1 20 VAL MG2 . . 4.840 4.325 4.142 4.596 . 0 0 "[ . 1 . 2]" 1
12 1 52 ILE H 1 53 GLU H . . 4.840 4.346 4.230 4.394 . 0 0 "[ . 1 . 2]" 1
13 1 51 PHE HB2 1 52 ILE H . . 4.480 3.653 3.614 3.844 . 0 0 "[ . 1 . 2]" 1
14 1 51 PHE HB3 1 52 ILE H . . 4.720 3.843 3.751 4.005 . 0 0 "[ . 1 . 2]" 1
15 1 52 ILE H 1 52 ILE HB . . 3.380 2.661 2.582 2.725 . 0 0 "[ . 1 . 2]" 1
16 1 52 ILE H 1 52 ILE HG13 . . 4.100 3.473 3.128 3.716 . 0 0 "[ . 1 . 2]" 1
17 1 52 ILE H 1 52 ILE MG . . 4.000 3.695 3.572 3.835 . 0 0 "[ . 1 . 2]" 1
18 1 43 LEU H 1 43 LEU HB2 . . 3.650 2.354 2.210 2.449 . 0 0 "[ . 1 . 2]" 1
19 1 43 LEU H 1 43 LEU HG . . 3.600 3.066 2.381 3.367 . 0 0 "[ . 1 . 2]" 1
20 1 43 LEU H 1 43 LEU HB3 . . 4.140 3.573 3.477 3.640 . 0 0 "[ . 1 . 2]" 1
21 1 74 ASN H 1 100 VAL HA . . 5.060 4.494 4.304 4.623 . 0 0 "[ . 1 . 2]" 1
22 1 20 VAL HB 1 21 LEU H . . 4.950 4.517 4.342 4.609 . 0 0 "[ . 1 . 2]" 1
23 1 21 LEU H 1 21 LEU HB2 . . 4.060 2.370 2.093 2.661 . 0 0 "[ . 1 . 2]" 1
24 1 21 LEU H 1 21 LEU HG . . 4.210 3.310 2.564 4.469 0.259 16 0 "[ . 1 . 2]" 1
25 1 18 GLU H 1 18 GLU HB3 . . 3.600 2.561 2.482 2.659 . 0 0 "[ . 1 . 2]" 1
26 1 18 GLU H 1 18 GLU HB2 . . 3.550 2.769 2.583 2.942 . 0 0 "[ . 1 . 2]" 1
27 1 70 VAL HA 1 104 GLU H . . 4.760 4.756 4.647 4.797 0.037 19 0 "[ . 1 . 2]" 1
28 1 104 GLU H 1 104 GLU HB3 . . 3.880 2.817 2.573 3.043 . 0 0 "[ . 1 . 2]" 1
29 1 104 GLU H 1 104 GLU HB2 . . 4.170 2.785 2.575 3.081 . 0 0 "[ . 1 . 2]" 1
30 1 71 LEU HG 1 104 GLU H . . 4.780 3.319 3.133 3.535 . 0 0 "[ . 1 . 2]" 1
31 1 16 THR MG 1 104 GLU H . . 5.350 4.691 4.263 5.062 . 0 0 "[ . 1 . 2]" 1
32 1 103 VAL MG1 1 104 GLU H . . 3.820 2.136 1.921 2.389 . 0 0 "[ . 1 . 2]" 1
33 1 103 VAL MG2 1 104 GLU H . . 4.270 4.197 4.037 4.289 0.019 18 0 "[ . 1 . 2]" 1
34 1 12 VAL H 1 12 VAL HB . . 3.510 2.996 2.291 3.526 0.016 18 0 "[ . 1 . 2]" 1
35 1 11 ILE HB 1 12 VAL H . . 4.390 3.809 2.293 4.390 0.000 2 0 "[ . 1 . 2]" 1
36 1 11 ILE MG 1 12 VAL H . . 4.000 2.876 2.003 3.927 . 0 0 "[ . 1 . 2]" 1
37 1 74 ASN H 1 100 VAL H . . 4.160 3.099 2.710 3.472 . 0 0 "[ . 1 . 2]" 1
38 1 100 VAL H 1 101 LEU H . . 5.060 4.363 4.201 4.508 . 0 0 "[ . 1 . 2]" 1
39 1 99 VAL H 1 100 VAL H . . 5.180 4.322 4.235 4.403 . 0 0 "[ . 1 . 2]" 1
40 1 74 ASN HD22 1 100 VAL H . . 4.820 3.908 3.121 4.523 . 0 0 "[ . 1 . 2]" 1
41 1 99 VAL HA 1 100 VAL H . . 2.970 2.352 2.243 2.514 . 0 0 "[ . 1 . 2]" 1
42 1 93 ALA MB 1 100 VAL H . . 4.800 3.942 3.717 4.537 . 0 0 "[ . 1 . 2]" 1
43 1 99 VAL HB 1 100 VAL H . . 4.470 4.103 3.929 4.242 . 0 0 "[ . 1 . 2]" 1
44 1 12 VAL QG 1 13 HIS H . . 5.240 2.523 1.882 3.492 . 0 0 "[ . 1 . 2]" 1
45 1 19 VAL H 1 103 VAL H . . 5.420 4.830 4.584 5.326 . 0 0 "[ . 1 . 2]" 1
46 1 16 THR HA 1 103 VAL H . . 5.310 4.258 4.100 4.427 . 0 0 "[ . 1 . 2]" 1
47 1 16 THR HB 1 103 VAL H . . 4.770 4.507 3.781 4.804 0.034 18 0 "[ . 1 . 2]" 1
48 1 103 VAL H 1 103 VAL HB . . 3.620 2.771 2.608 2.854 . 0 0 "[ . 1 . 2]" 1
49 1 16 THR MG 1 103 VAL H . . 4.880 4.677 4.443 4.892 0.012 19 0 "[ . 1 . 2]" 1
50 1 103 VAL H 1 103 VAL MG1 . . 4.100 3.787 3.748 3.818 . 0 0 "[ . 1 . 2]" 1
51 1 104 GLU H 1 105 PHE H . . 4.580 4.411 4.121 4.527 . 0 0 "[ . 1 . 2]" 1
52 1 105 PHE H 1 105 PHE QE . . 5.090 4.546 4.202 4.730 . 0 0 "[ . 1 . 2]" 1
53 1 105 PHE H 1 105 PHE QD . . 3.970 3.357 3.065 3.514 . 0 0 "[ . 1 . 2]" 1
54 1 14 THR HB 1 105 PHE H . . 5.160 4.513 4.006 5.120 . 0 0 "[ . 1 . 2]" 1
55 1 104 GLU HG3 1 105 PHE H . . 4.030 3.568 2.246 4.177 0.147 17 0 "[ . 1 . 2]" 1
56 1 104 GLU HB2 1 105 PHE H . . 4.620 4.365 4.164 4.601 . 0 0 "[ . 1 . 2]" 1
57 1 103 VAL MG1 1 105 PHE H . . 5.500 5.083 4.276 5.386 . 0 0 "[ . 1 . 2]" 1
58 1 75 GLY H 1 76 ILE H . . 3.670 2.132 2.050 2.274 . 0 0 "[ . 1 . 2]" 1
59 1 76 ILE H 1 77 ALA H . . 4.730 4.422 4.319 4.493 . 0 0 "[ . 1 . 2]" 1
60 1 73 ILE H 1 76 ILE H . . 3.670 2.470 2.260 2.763 . 0 0 "[ . 1 . 2]" 1
61 1 72 SER HA 1 76 ILE H . . 4.640 4.550 4.327 4.645 0.005 18 0 "[ . 1 . 2]" 1
62 1 74 ASN HB3 1 76 ILE H . . 4.990 3.884 3.451 4.887 . 0 0 "[ . 1 . 2]" 1
63 1 76 ILE H 1 76 ILE HB . . 3.150 2.476 2.347 2.641 . 0 0 "[ . 1 . 2]" 1
64 1 73 ILE HB 1 76 ILE H . . 4.710 4.193 4.032 4.326 . 0 0 "[ . 1 . 2]" 1
65 1 76 ILE H 1 76 ILE HG13 . . 3.700 3.664 3.505 3.723 0.023 19 0 "[ . 1 . 2]" 1
66 1 76 ILE H 1 76 ILE HG12 . . 3.580 2.531 2.358 2.801 . 0 0 "[ . 1 . 2]" 1
67 1 76 ILE H 1 76 ILE MG . . 3.880 3.771 3.696 3.848 . 0 0 "[ . 1 . 2]" 1
68 1 92 ASP H 1 93 ALA H . . 3.550 2.810 2.655 2.986 . 0 0 "[ . 1 . 2]" 1
69 1 93 ALA H 1 95 LEU H . . 4.590 4.100 3.951 4.243 . 0 0 "[ . 1 . 2]" 1
70 1 92 ASP HB2 1 93 ALA H . . 3.800 3.656 3.464 3.760 . 0 0 "[ . 1 . 2]" 1
71 1 92 ASP HB3 1 93 ALA H . . 4.050 2.571 2.260 2.945 . 0 0 "[ . 1 . 2]" 1
72 1 32 GLN H 1 33 LEU H . . 4.770 4.416 4.287 4.560 . 0 0 "[ . 1 . 2]" 1
73 1 32 GLN HB3 1 33 LEU H . . 4.000 3.385 2.861 3.656 . 0 0 "[ . 1 . 2]" 1
74 1 33 LEU H 1 33 LEU HB2 . . 3.670 2.330 2.220 2.561 . 0 0 "[ . 1 . 2]" 1
75 1 33 LEU H 1 33 LEU HG . . 3.650 2.930 2.492 3.163 . 0 0 "[ . 1 . 2]" 1
76 1 33 LEU H 1 33 LEU MD2 . . 4.080 3.770 3.341 4.055 . 0 0 "[ . 1 . 2]" 1
77 1 50 CYS H 1 51 PHE H . . 3.060 2.862 2.010 3.109 0.049 16 0 "[ . 1 . 2]" 1
78 1 32 GLN H 1 51 PHE H . . 3.770 2.893 2.709 2.998 . 0 0 "[ . 1 . 2]" 1
79 1 33 LEU HA 1 51 PHE H . . 4.990 4.790 4.571 5.088 0.098 20 0 "[ . 1 . 2]" 1
80 1 31 LEU HA 1 51 PHE H . . 4.930 4.902 4.635 4.974 0.044 17 0 "[ . 1 . 2]" 1
81 1 49 VAL HA 1 51 PHE H . . 4.050 3.932 3.767 4.079 0.029 20 0 "[ . 1 . 2]" 1
82 1 50 CYS QB 1 51 PHE H . . 3.990 2.377 2.199 2.915 . 0 0 "[ . 1 . 2]" 1
83 1 51 PHE H 1 51 PHE HB3 . . 3.900 2.604 2.489 2.788 . 0 0 "[ . 1 . 2]" 1
84 1 32 GLN HB3 1 51 PHE H . . 4.380 2.447 2.153 2.835 . 0 0 "[ . 1 . 2]" 1
85 1 32 GLN HB2 1 51 PHE H . . 4.030 2.057 1.946 2.371 . 0 0 "[ . 1 . 2]" 1
86 1 51 PHE H 1 52 ILE HG13 . . 5.130 4.182 4.030 4.414 . 0 0 "[ . 1 . 2]" 1
87 1 29 PHE QE 1 99 VAL H . . 4.320 4.108 3.725 4.337 0.017 19 0 "[ . 1 . 2]" 1
88 1 29 PHE HZ 1 99 VAL H . . 4.820 3.782 3.545 4.107 . 0 0 "[ . 1 . 2]" 1
89 1 98 LYS HB2 1 99 VAL H . . 4.310 4.143 3.939 4.311 0.001 11 0 "[ . 1 . 2]" 1
90 1 98 LYS HB3 1 99 VAL H . . 4.650 3.852 3.354 4.276 . 0 0 "[ . 1 . 2]" 1
91 1 98 LYS QD 1 99 VAL H . . 5.070 3.748 2.103 4.423 . 0 0 "[ . 1 . 2]" 1
92 1 99 VAL H 1 99 VAL HB . . 3.960 3.270 3.150 3.384 . 0 0 "[ . 1 . 2]" 1
93 1 98 LYS HG2 1 99 VAL H . . 3.990 2.066 1.941 2.262 . 0 0 "[ . 1 . 2]" 1
94 1 98 LYS HG3 1 99 VAL H . . 4.120 3.571 2.467 3.984 . 0 0 "[ . 1 . 2]" 1
95 1 99 VAL H 1 99 VAL MG2 . . 4.470 3.993 3.940 4.031 . 0 0 "[ . 1 . 2]" 1
96 1 84 GLU HA 1 86 ALA H . . 4.610 4.394 4.147 4.604 . 0 0 "[ . 1 . 2]" 1
97 1 84 GLU H 1 86 ALA H . . 4.690 4.383 4.151 4.592 . 0 0 "[ . 1 . 2]" 1
98 1 86 ALA H 1 87 ASN H . . 3.410 2.815 2.654 2.918 . 0 0 "[ . 1 . 2]" 1
99 1 86 ALA H 1 87 ASN HB2 . . 5.090 4.660 4.523 4.788 . 0 0 "[ . 1 . 2]" 1
100 1 85 GLU HB2 1 86 ALA H . . 3.880 2.798 2.541 3.078 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE H 1 11 ILE HG12 . . 4.480 3.675 1.957 4.558 0.078 7 0 "[ . 1 . 2]" 1
102 1 11 ILE H 1 11 ILE HG13 . . 4.300 3.084 1.967 4.396 0.096 17 0 "[ . 1 . 2]" 1
103 1 11 ILE H 1 11 ILE MG . . 4.710 3.335 2.144 4.065 . 0 0 "[ . 1 . 2]" 1
104 1 83 MET H 1 84 GLU H . . 4.100 3.076 2.690 3.213 . 0 0 "[ . 1 . 2]" 1
105 1 83 MET H 1 83 MET HB2 . . 4.170 2.097 1.994 2.264 . 0 0 "[ . 1 . 2]" 1
106 1 15 GLU H 1 15 GLU QG . . 4.050 3.224 2.800 3.596 . 0 0 "[ . 1 . 2]" 1
107 1 15 GLU H 1 15 GLU HB3 . . 3.900 3.580 3.482 3.661 . 0 0 "[ . 1 . 2]" 1
108 1 86 ALA H 1 88 GLN H . . 4.560 4.129 3.840 4.560 . 0 0 "[ . 1 . 2]" 1
109 1 88 GLN H 1 90 LEU H . . 4.640 4.185 3.843 4.529 . 0 0 "[ . 1 . 2]" 1
110 1 87 ASN HD21 1 88 GLN H . . 5.270 4.538 4.371 4.695 . 0 0 "[ . 1 . 2]" 1
111 1 84 GLU HA 1 88 GLN H . . 4.650 3.774 3.452 4.079 . 0 0 "[ . 1 . 2]" 1
112 1 87 ASN HB2 1 88 GLN H . . 3.950 2.653 2.360 2.866 . 0 0 "[ . 1 . 2]" 1
113 1 87 ASN HB3 1 88 GLN H . . 4.290 3.203 2.840 3.482 . 0 0 "[ . 1 . 2]" 1
114 1 88 GLN H 1 88 GLN QG . . 3.860 3.945 3.892 4.007 0.147 4 0 "[ . 1 . 2]" 1
115 1 88 GLN H 1 88 GLN HB2 . . 3.320 2.529 2.123 2.721 . 0 0 "[ . 1 . 2]" 1
116 1 88 GLN H 1 88 GLN HB3 . . 3.380 2.437 2.250 2.964 . 0 0 "[ . 1 . 2]" 1
117 1 101 LEU HB2 1 102 GLU H . . 4.590 3.800 3.386 4.321 . 0 0 "[ . 1 . 2]" 1
118 1 71 LEU HB2 1 102 GLU H . . 5.250 4.499 4.168 4.715 . 0 0 "[ . 1 . 2]" 1
119 1 101 LEU HB3 1 102 GLU H . . 4.200 3.003 2.641 3.329 . 0 0 "[ . 1 . 2]" 1
120 1 102 GLU H 1 102 GLU HB2 . . 3.900 3.110 2.946 3.292 . 0 0 "[ . 1 . 2]" 1
121 1 70 VAL MG1 1 102 GLU H . . 4.050 3.220 2.851 3.577 . 0 0 "[ . 1 . 2]" 1
122 1 91 ARG H 1 92 ASP H . . 3.520 2.920 2.639 3.095 . 0 0 "[ . 1 . 2]" 1
123 1 87 ASN HA 1 91 ARG H . . 5.000 4.643 4.417 4.886 . 0 0 "[ . 1 . 2]" 1
124 1 91 ARG H 1 91 ARG HB2 . . 3.290 2.032 2.023 2.055 . 0 0 "[ . 1 . 2]" 1
125 1 91 ARG H 1 91 ARG HG3 . . 3.700 3.653 3.418 3.717 0.017 18 0 "[ . 1 . 2]" 1
126 1 65 GLN H 1 68 ASP H . . 5.020 3.929 3.592 4.689 . 0 0 "[ . 1 . 2]" 1
127 1 64 LEU H 1 65 GLN H . . 4.640 4.609 4.551 4.664 0.024 12 0 "[ . 1 . 2]" 1
128 1 65 GLN H 1 68 ASP QB . . 4.470 2.948 2.626 3.450 . 0 0 "[ . 1 . 2]" 1
129 1 65 GLN H 1 65 GLN HG2 . . 4.300 3.018 2.279 4.285 . 0 0 "[ . 1 . 2]" 1
130 1 65 GLN H 1 65 GLN HB3 . . 3.860 3.626 3.432 3.875 0.015 12 0 "[ . 1 . 2]" 1
131 1 64 LEU QB 1 65 GLN H . . 4.000 3.509 2.648 3.738 . 0 0 "[ . 1 . 2]" 1
132 1 64 LEU QD 1 65 GLN H . . 3.820 2.709 1.921 3.233 . 0 0 "[ . 1 . 2]" 1
133 1 65 GLN H 1 66 VAL H . . 4.710 4.328 4.197 4.386 . 0 0 "[ . 1 . 2]" 1
134 1 65 GLN HG2 1 66 VAL H . . 4.730 4.261 3.461 4.736 0.006 2 0 "[ . 1 . 2]" 1
135 1 65 GLN HG3 1 66 VAL H . . 4.750 4.132 3.209 4.753 0.003 9 0 "[ . 1 . 2]" 1
136 1 65 GLN HB2 1 66 VAL H . . 3.530 2.978 2.171 3.979 0.449 15 0 "[ . 1 . 2]" 1
137 1 66 VAL H 1 66 VAL HB . . 3.020 2.334 2.197 2.800 . 0 0 "[ . 1 . 2]" 1
138 1 34 GLN H 1 35 GLY H . . 4.000 4.154 3.997 4.424 0.424 20 0 "[ . 1 . 2]" 1
139 1 34 GLN H 1 50 CYS QB . . 4.940 3.692 3.009 4.502 . 0 0 "[ . 1 . 2]" 1
140 1 49 VAL H 1 68 ASP H . . 4.470 3.209 2.121 3.780 . 0 0 "[ . 1 . 2]" 1
141 1 49 VAL H 1 69 ARG HA . . 4.510 4.239 3.874 4.556 0.046 17 0 "[ . 1 . 2]" 1
142 1 49 VAL H 1 67 GLY HA2 . . 5.430 3.921 3.152 4.239 . 0 0 "[ . 1 . 2]" 1
143 1 49 VAL H 1 66 VAL HA . . 4.920 3.751 3.338 4.048 . 0 0 "[ . 1 . 2]" 1
144 1 49 VAL H 1 49 VAL HB . . 3.400 2.226 2.174 2.303 . 0 0 "[ . 1 . 2]" 1
145 1 48 LEU HG 1 49 VAL H . . 5.040 4.870 4.708 5.118 0.078 16 0 "[ . 1 . 2]" 1
146 1 48 LEU HB3 1 49 VAL H . . 3.920 2.546 2.387 2.710 . 0 0 "[ . 1 . 2]" 1
147 1 49 VAL H 1 49 VAL MG1 . . 3.880 3.650 3.617 3.687 . 0 0 "[ . 1 . 2]" 1
148 1 32 GLN H 1 52 ILE HA . . 4.660 3.233 2.980 3.523 . 0 0 "[ . 1 . 2]" 1
149 1 32 GLN H 1 50 CYS QB . . 5.130 4.498 4.303 4.973 . 0 0 "[ . 1 . 2]" 1
150 1 32 GLN H 1 51 PHE HB3 . . 4.650 4.217 3.906 4.503 . 0 0 "[ . 1 . 2]" 1
151 1 32 GLN H 1 32 GLN HB3 . . 4.130 3.466 3.332 3.589 . 0 0 "[ . 1 . 2]" 1
152 1 32 GLN H 1 32 GLN HB2 . . 3.820 2.400 2.270 2.560 . 0 0 "[ . 1 . 2]" 1
153 1 31 LEU HB2 1 32 GLN H . . 3.880 3.175 2.976 3.334 . 0 0 "[ . 1 . 2]" 1
154 1 32 GLN H 1 49 VAL MG2 . . 4.880 4.325 3.797 4.599 . 0 0 "[ . 1 . 2]" 1
155 1 32 GLN H 1 52 ILE MD . . 5.120 4.786 4.557 5.018 . 0 0 "[ . 1 . 2]" 1
156 1 38 PHE H 1 38 PHE QD . . 4.490 2.249 1.967 2.625 . 0 0 "[ . 1 . 2]" 1
157 1 37 ILE HA 1 38 PHE H . . 3.510 3.550 2.387 3.637 0.127 19 0 "[ . 1 . 2]" 1
158 1 38 PHE H 1 38 PHE HB2 . . 3.710 2.247 1.954 2.667 . 0 0 "[ . 1 . 2]" 1
159 1 38 PHE H 1 41 GLU QG . . 5.270 4.550 3.516 5.280 0.010 10 0 "[ . 1 . 2]" 1
160 1 37 ILE HG12 1 38 PHE H . . 5.180 4.825 2.004 5.285 0.105 4 0 "[ . 1 . 2]" 1
161 1 37 ILE HG13 1 38 PHE H . . 5.350 4.524 2.814 4.978 . 0 0 "[ . 1 . 2]" 1
162 1 37 ILE MG 1 38 PHE H . . 4.210 3.102 1.964 3.729 . 0 0 "[ . 1 . 2]" 1
163 1 34 GLN H 1 49 VAL HA . . 4.730 4.035 3.498 4.219 . 0 0 "[ . 1 . 2]" 1
164 1 34 GLN H 1 34 GLN HG3 . . 4.580 4.535 4.245 4.992 0.412 19 0 "[ . 1 . 2]" 1
165 1 34 GLN H 1 34 GLN HB2 . . 4.150 3.481 3.128 3.647 . 0 0 "[ . 1 . 2]" 1
166 1 34 GLN H 1 34 GLN HB3 . . 3.710 2.590 2.275 2.730 . 0 0 "[ . 1 . 2]" 1
167 1 33 LEU HB2 1 34 GLN H . . 4.230 3.964 3.532 4.288 0.058 20 0 "[ . 1 . 2]" 1
168 1 34 GLN H 1 48 LEU HB2 . . 4.600 4.306 3.773 4.529 . 0 0 "[ . 1 . 2]" 1
169 1 33 LEU HB3 1 34 GLN H . . 3.930 2.735 2.353 3.276 . 0 0 "[ . 1 . 2]" 1
170 1 73 ILE H 1 74 ASN H . . 5.220 4.098 4.049 4.202 . 0 0 "[ . 1 . 2]" 1
171 1 73 ILE H 1 76 ILE HB . . 4.410 3.120 2.908 3.308 . 0 0 "[ . 1 . 2]" 1
172 1 73 ILE H 1 73 ILE HB . . 3.690 2.684 2.546 2.774 . 0 0 "[ . 1 . 2]" 1
173 1 73 ILE H 1 77 ALA MB . . 5.120 5.105 5.009 5.149 0.029 14 0 "[ . 1 . 2]" 1
174 1 73 ILE H 1 73 ILE HG13 . . 4.220 3.059 2.827 3.220 . 0 0 "[ . 1 . 2]" 1
175 1 73 ILE H 1 76 ILE MG . . 4.540 3.998 3.692 4.162 . 0 0 "[ . 1 . 2]" 1
176 1 73 ILE H 1 73 ILE MD . . 4.440 4.064 3.896 4.195 . 0 0 "[ . 1 . 2]" 1
177 1 69 ARG H 1 70 VAL H . . 5.120 4.436 3.744 4.641 . 0 0 "[ . 1 . 2]" 1
178 1 69 ARG HB2 1 70 VAL H . . 4.720 4.091 3.164 4.461 . 0 0 "[ . 1 . 2]" 1
179 1 70 VAL H 1 70 VAL HB . . 3.350 2.476 2.254 2.715 . 0 0 "[ . 1 . 2]" 1
180 1 46 PRO HB2 1 70 VAL H . . 4.350 2.527 2.050 3.259 . 0 0 "[ . 1 . 2]" 1
181 1 69 ARG HB3 1 70 VAL H . . 4.230 2.997 2.434 3.671 . 0 0 "[ . 1 . 2]" 1
182 1 70 VAL H 1 70 VAL MG2 . . 3.310 2.899 2.479 3.312 0.002 19 0 "[ . 1 . 2]" 1
183 1 86 ALA MB 1 89 LEU H . . 5.210 4.561 4.453 4.658 . 0 0 "[ . 1 . 2]" 1
184 1 87 ASN HA 1 89 LEU H . . 5.380 4.351 4.012 4.736 . 0 0 "[ . 1 . 2]" 1
185 1 88 GLN HB2 1 89 LEU H . . 4.150 4.010 3.748 4.133 . 0 0 "[ . 1 . 2]" 1
186 1 89 LEU H 1 89 LEU HB2 . . 3.360 2.244 2.139 2.365 . 0 0 "[ . 1 . 2]" 1
187 1 89 LEU H 1 89 LEU HG . . 3.380 2.593 2.325 2.855 . 0 0 "[ . 1 . 2]" 1
188 1 89 LEU H 1 89 LEU MD1 . . 4.270 3.443 3.265 3.783 . 0 0 "[ . 1 . 2]" 1
189 1 73 ILE MG 1 89 LEU H . . 5.250 4.644 4.239 5.104 . 0 0 "[ . 1 . 2]" 1
190 1 22 CYS H 1 29 PHE QD . . 5.500 3.894 3.395 4.352 . 0 0 "[ . 1 . 2]" 1
191 1 22 CYS H 1 98 LYS HA . . 5.260 4.903 4.725 5.105 . 0 0 "[ . 1 . 2]" 1
192 1 22 CYS H 1 57 PRO HB3 . . 4.580 3.123 2.476 3.854 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU HB2 1 22 CYS H . . 4.460 4.104 3.770 4.459 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU HB3 1 22 CYS H . . 3.970 3.026 2.677 3.432 . 0 0 "[ . 1 . 2]" 1
195 1 56 SER HG 1 59 GLU H . . 3.810 2.561 2.375 2.750 . 0 0 "[ . 1 . 2]" 1
196 1 56 SER HB3 1 59 GLU H . . 4.780 4.049 3.920 4.238 . 0 0 "[ . 1 . 2]" 1
197 1 59 GLU H 1 59 GLU HB3 . . 3.600 2.510 2.286 2.636 . 0 0 "[ . 1 . 2]" 1
198 1 59 GLU H 1 59 GLU HB2 . . 3.720 2.608 2.413 2.925 . 0 0 "[ . 1 . 2]" 1
199 1 79 GLU H 1 80 ASP H . . 3.840 2.523 2.333 2.753 . 0 0 "[ . 1 . 2]" 1
200 1 77 ALA HA 1 79 GLU H . . 4.470 3.680 3.420 3.961 . 0 0 "[ . 1 . 2]" 1
201 1 79 GLU H 1 79 GLU HB3 . . 3.650 3.562 3.533 3.595 . 0 0 "[ . 1 . 2]" 1
202 1 79 GLU H 1 79 GLU HG3 . . 3.680 2.390 2.028 3.186 . 0 0 "[ . 1 . 2]" 1
203 1 79 GLU H 1 79 GLU HB2 . . 3.370 2.579 2.393 2.755 . 0 0 "[ . 1 . 2]" 1
204 1 43 LEU QD 1 79 GLU H . . 5.360 4.909 4.793 5.036 . 0 0 "[ . 1 . 2]" 1
205 1 92 ASP H 1 94 ALA H . . 4.870 4.235 3.964 4.415 . 0 0 "[ . 1 . 2]" 1
206 1 93 ALA H 1 94 ALA H . . 3.400 2.718 2.423 2.910 . 0 0 "[ . 1 . 2]" 1
207 1 29 PHE HZ 1 94 ALA H . . 4.210 4.155 3.874 4.235 0.025 8 0 "[ . 1 . 2]" 1
208 1 92 ASP HA 1 94 ALA H . . 4.660 4.318 3.933 4.559 . 0 0 "[ . 1 . 2]" 1
209 1 91 ARG HA 1 94 ALA H . . 3.880 3.372 3.162 3.621 . 0 0 "[ . 1 . 2]" 1
210 1 94 ALA H 1 95 LEU HA . . 5.300 5.224 5.032 5.319 0.019 8 0 "[ . 1 . 2]" 1
211 1 94 ALA H 1 95 LEU HG . . 4.420 4.110 3.854 4.378 . 0 0 "[ . 1 . 2]" 1
212 1 93 ALA MB 1 94 ALA H . . 3.410 2.584 2.399 2.869 . 0 0 "[ . 1 . 2]" 1
213 1 94 ALA H 1 96 ALA MB . . 4.570 4.600 4.573 4.645 0.075 19 0 "[ . 1 . 2]" 1
214 1 94 ALA HA 1 96 ALA H . . 4.730 3.585 3.477 3.730 . 0 0 "[ . 1 . 2]" 1
215 1 95 LEU HB2 1 96 ALA H . . 4.000 3.358 3.212 3.559 . 0 0 "[ . 1 . 2]" 1
216 1 95 LEU HG 1 96 ALA H . . 4.850 4.439 4.331 4.704 . 0 0 "[ . 1 . 2]" 1
217 1 94 ALA MB 1 96 ALA H . . 5.080 4.155 4.104 4.253 . 0 0 "[ . 1 . 2]" 1
218 1 95 LEU MD1 1 96 ALA H . . 5.220 5.016 4.823 5.194 . 0 0 "[ . 1 . 2]" 1
219 1 95 LEU MD2 1 96 ALA H . . 5.250 4.734 4.538 4.881 . 0 0 "[ . 1 . 2]" 1
220 1 68 ASP HA 1 69 ARG H . . 3.340 2.522 2.254 3.445 0.105 17 0 "[ . 1 . 2]" 1
221 1 68 ASP QB 1 69 ARG H . . 3.970 2.815 2.139 3.349 . 0 0 "[ . 1 . 2]" 1
222 1 69 ARG H 1 69 ARG HB2 . . 3.770 2.506 2.036 3.553 . 0 0 "[ . 1 . 2]" 1
223 1 69 ARG H 1 69 ARG HG2 . . 4.440 4.303 2.134 4.624 0.184 11 0 "[ . 1 . 2]" 1
224 1 69 ARG H 1 103 VAL MG1 . . 4.110 2.377 1.792 4.144 0.034 16 0 "[ . 1 . 2]" 1
225 1 39 ALA HA 1 84 GLU H . . 5.310 3.178 2.804 3.997 . 0 0 "[ . 1 . 2]" 1
226 1 83 MET HB3 1 84 GLU H . . 4.070 2.294 2.046 3.088 . 0 0 "[ . 1 . 2]" 1
227 1 83 MET HB2 1 84 GLU H . . 4.420 3.438 3.105 3.998 . 0 0 "[ . 1 . 2]" 1
228 1 84 GLU H 1 84 GLU HB2 . . 3.440 2.134 2.025 3.524 0.084 14 0 "[ . 1 . 2]" 1
229 1 82 THR MG 1 84 GLU H . . 5.110 4.791 4.212 5.029 . 0 0 "[ . 1 . 2]" 1
230 1 83 MET HA 1 85 GLU H . . 5.140 4.694 4.189 4.902 . 0 0 "[ . 1 . 2]" 1
231 1 85 GLU H 1 85 GLU HB2 . . 3.520 2.234 2.077 2.414 . 0 0 "[ . 1 . 2]" 1
232 1 84 GLU HB3 1 85 GLU H . . 3.640 2.641 2.288 3.948 0.308 14 0 "[ . 1 . 2]" 1
233 1 85 GLU H 1 86 ALA MB . . 4.800 4.467 4.215 4.582 . 0 0 "[ . 1 . 2]" 1
234 1 98 LYS H 1 99 VAL H . . 4.620 4.306 4.236 4.367 . 0 0 "[ . 1 . 2]" 1
235 1 29 PHE HZ 1 98 LYS H . . 3.730 3.296 2.532 3.748 0.018 20 0 "[ . 1 . 2]" 1
236 1 22 CYS HA 1 98 LYS H . . 5.120 4.526 4.333 4.692 . 0 0 "[ . 1 . 2]" 1
237 1 96 ALA HA 1 98 LYS H . . 4.930 4.180 4.096 4.339 . 0 0 "[ . 1 . 2]" 1
238 1 97 HIS QB 1 98 LYS H . . 4.310 3.653 3.476 3.761 . 0 0 "[ . 1 . 2]" 1
239 1 98 LYS H 1 98 LYS HB2 . . 3.960 3.299 3.081 3.554 . 0 0 "[ . 1 . 2]" 1
240 1 98 LYS H 1 98 LYS HB3 . . 3.790 3.035 2.871 3.241 . 0 0 "[ . 1 . 2]" 1
241 1 96 ALA MB 1 98 LYS H . . 3.550 2.559 2.249 2.709 . 0 0 "[ . 1 . 2]" 1
242 1 98 LYS H 1 98 LYS HG2 . . 4.960 4.537 4.343 4.631 . 0 0 "[ . 1 . 2]" 1
243 1 61 CYS QB 1 63 LEU H . . 4.960 3.321 2.885 3.726 . 0 0 "[ . 1 . 2]" 1
244 1 63 LEU H 1 63 LEU HB2 . . 3.440 2.929 2.095 3.283 . 0 0 "[ . 1 . 2]" 1
245 1 63 LEU H 1 63 LEU HB3 . . 3.520 2.438 1.980 3.524 0.004 10 0 "[ . 1 . 2]" 1
246 1 63 LEU H 1 64 LEU QB . . 5.450 4.536 4.231 4.882 . 0 0 "[ . 1 . 2]" 1
247 1 36 GLY HA2 1 37 ILE H . . 3.420 2.484 2.262 2.858 . 0 0 "[ . 1 . 2]" 1
248 1 37 ILE H 1 37 ILE HB . . 3.590 2.465 2.211 3.663 0.073 3 0 "[ . 1 . 2]" 1
249 1 37 ILE H 1 37 ILE HG12 . . 4.070 3.590 2.267 4.071 0.001 10 0 "[ . 1 . 2]" 1
250 1 37 ILE H 1 37 ILE HG13 . . 3.890 2.975 1.959 4.223 0.333 15 0 "[ . 1 . 2]" 1
251 1 89 LEU H 1 90 LEU H . . 3.510 2.716 2.642 2.906 . 0 0 "[ . 1 . 2]" 1
252 1 86 ALA HA 1 90 LEU H . . 4.880 4.542 4.157 4.776 . 0 0 "[ . 1 . 2]" 1
253 1 89 LEU HB2 1 90 LEU H . . 3.800 2.875 2.625 3.116 . 0 0 "[ . 1 . 2]" 1
254 1 90 LEU H 1 90 LEU HB2 . . 3.350 2.064 1.990 2.154 . 0 0 "[ . 1 . 2]" 1
255 1 90 LEU H 1 90 LEU HG . . 3.560 3.446 3.044 3.659 0.099 18 0 "[ . 1 . 2]" 1
256 1 89 LEU HB3 1 90 LEU H . . 4.260 3.582 3.238 3.835 . 0 0 "[ . 1 . 2]" 1
257 1 73 ILE MD 1 90 LEU H . . 4.200 3.916 3.449 4.201 0.001 3 0 "[ . 1 . 2]" 1
258 1 106 ASP H 1 107 SER H . . 4.680 3.542 2.077 4.395 . 0 0 "[ . 1 . 2]" 1
259 1 105 PHE QD 1 107 SER H . . 5.220 2.552 1.936 3.256 . 0 0 "[ . 1 . 2]" 1
260 1 107 SER H 1 107 SER HB2 . . 3.930 2.881 2.292 3.924 . 0 0 "[ . 1 . 2]" 1
261 1 107 SER H 1 107 SER HB3 . . 3.900 2.736 2.213 3.520 . 0 0 "[ . 1 . 2]" 1
262 1 106 ASP QB 1 107 SER H . . 4.160 3.575 3.395 3.777 . 0 0 "[ . 1 . 2]" 1
263 1 29 PHE H 1 31 LEU H . . 5.030 4.332 3.386 4.994 . 0 0 "[ . 1 . 2]" 1
264 1 29 PHE H 1 29 PHE QD . . 4.360 3.653 3.230 3.881 . 0 0 "[ . 1 . 2]" 1
265 1 63 LEU HB2 1 64 LEU H . . 4.250 3.859 2.591 4.493 0.243 17 0 "[ . 1 . 2]" 1
266 1 64 LEU H 1 64 LEU QB . . 3.380 2.130 1.997 2.242 . 0 0 "[ . 1 . 2]" 1
267 1 52 ILE MD 1 64 LEU H . . 4.870 4.817 4.205 4.909 0.039 10 0 "[ . 1 . 2]" 1
268 1 25 PRO HD2 1 26 LEU H . . 4.150 2.372 2.254 2.437 . 0 0 "[ . 1 . 2]" 1
269 1 25 PRO HD3 1 26 LEU H . . 4.770 3.686 3.659 3.707 . 0 0 "[ . 1 . 2]" 1
270 1 25 PRO HB2 1 26 LEU H . . 4.740 3.669 3.106 3.791 . 0 0 "[ . 1 . 2]" 1
271 1 25 PRO HG3 1 26 LEU H . . 4.480 4.385 3.955 4.496 0.016 16 0 "[ . 1 . 2]" 1
272 1 25 PRO HG2 1 26 LEU H . . 3.990 3.307 2.637 3.475 . 0 0 "[ . 1 . 2]" 1
273 1 26 LEU H 1 26 LEU HB2 . . 3.310 2.159 2.057 2.261 . 0 0 "[ . 1 . 2]" 1
274 1 26 LEU H 1 26 LEU HB3 . . 3.310 3.347 3.327 3.391 0.081 13 0 "[ . 1 . 2]" 1
275 1 34 GLN H 1 48 LEU H . . 3.740 2.762 2.497 2.975 . 0 0 "[ . 1 . 2]" 1
276 1 33 LEU HA 1 48 LEU H . . 5.080 4.743 4.447 4.987 . 0 0 "[ . 1 . 2]" 1
277 1 47 PRO HB3 1 48 LEU H . . 4.100 3.715 3.515 3.818 . 0 0 "[ . 1 . 2]" 1
278 1 48 LEU H 1 48 LEU HG . . 3.420 2.432 2.128 3.363 . 0 0 "[ . 1 . 2]" 1
279 1 48 LEU H 1 48 LEU HB2 . . 3.580 2.697 2.452 2.796 . 0 0 "[ . 1 . 2]" 1
280 1 48 LEU H 1 48 LEU HB3 . . 4.070 3.662 3.606 3.776 . 0 0 "[ . 1 . 2]" 1
281 1 17 THR H 1 18 GLU H . . 4.830 4.412 4.308 4.490 . 0 0 "[ . 1 . 2]" 1
282 1 16 THR H 1 17 THR H . . 4.750 4.348 4.220 4.442 . 0 0 "[ . 1 . 2]" 1
283 1 17 THR H 1 102 GLU HG2 . . 5.150 4.890 4.417 5.194 0.044 16 0 "[ . 1 . 2]" 1
284 1 17 THR H 1 103 VAL HB . . 4.480 3.461 3.194 3.760 . 0 0 "[ . 1 . 2]" 1
285 1 17 THR H 1 103 VAL MG1 . . 5.170 4.824 4.636 4.989 . 0 0 "[ . 1 . 2]" 1
286 1 17 THR H 1 103 VAL MG2 . . 4.570 3.706 3.370 4.027 . 0 0 "[ . 1 . 2]" 1
287 1 17 THR H 1 105 PHE QE . . 4.940 3.380 2.390 4.005 . 0 0 "[ . 1 . 2]" 1
288 1 17 THR H 1 105 PHE QD . . 5.160 4.722 4.200 5.167 0.007 17 0 "[ . 1 . 2]" 1
289 1 78 THR HA 1 80 ASP H . . 5.400 3.623 3.463 4.122 . 0 0 "[ . 1 . 2]" 1
290 1 79 GLU HB2 1 80 ASP H . . 4.890 3.290 2.952 3.430 . 0 0 "[ . 1 . 2]" 1
291 1 93 ALA HA 1 95 LEU H . . 4.580 4.247 4.055 4.404 . 0 0 "[ . 1 . 2]" 1
292 1 91 ARG HA 1 95 LEU H . . 5.040 4.571 4.341 4.875 . 0 0 "[ . 1 . 2]" 1
293 1 95 LEU H 1 95 LEU HB2 . . 3.240 2.534 2.384 2.593 . 0 0 "[ . 1 . 2]" 1
294 1 95 LEU H 1 95 LEU HG . . 3.210 2.065 1.947 2.330 . 0 0 "[ . 1 . 2]" 1
295 1 58 ALA H 1 60 ARG H . . 4.880 4.140 4.028 4.320 . 0 0 "[ . 1 . 2]" 1
296 1 56 SER HG 1 58 ALA H . . 4.820 3.066 2.871 3.200 . 0 0 "[ . 1 . 2]" 1
297 1 30 GLY HA3 1 58 ALA H . . 4.420 3.608 3.366 3.861 . 0 0 "[ . 1 . 2]" 1
298 1 56 SER HB2 1 58 ALA H . . 4.050 3.774 3.676 3.897 . 0 0 "[ . 1 . 2]" 1
299 1 57 PRO HD3 1 58 ALA H . . 4.370 3.694 3.667 3.727 . 0 0 "[ . 1 . 2]" 1
300 1 57 PRO HD2 1 58 ALA H . . 3.870 2.281 2.255 2.323 . 0 0 "[ . 1 . 2]" 1
301 1 29 PHE HB3 1 58 ALA H . . 5.320 3.874 3.685 4.351 . 0 0 "[ . 1 . 2]" 1
302 1 57 PRO HB3 1 58 ALA H . . 4.200 4.141 4.069 4.217 0.017 6 0 "[ . 1 . 2]" 1
303 1 57 PRO HG3 1 58 ALA H . . 4.660 3.989 3.914 4.076 . 0 0 "[ . 1 . 2]" 1
304 1 57 PRO HG2 1 58 ALA H . . 3.620 2.691 2.571 2.830 . 0 0 "[ . 1 . 2]" 1
305 1 21 LEU QD 1 58 ALA H . . 4.390 2.802 2.444 3.315 . 0 0 "[ . 1 . 2]" 1
306 1 31 LEU MD2 1 58 ALA H . . 5.370 4.366 3.887 4.881 . 0 0 "[ . 1 . 2]" 1
307 1 52 ILE MG 1 58 ALA H . . 4.710 4.266 3.916 4.598 . 0 0 "[ . 1 . 2]" 1
308 1 59 GLU H 1 60 ARG H . . 3.290 2.334 2.234 2.487 . 0 0 "[ . 1 . 2]" 1
309 1 56 SER H 1 60 ARG H . . 4.660 4.441 4.193 4.634 . 0 0 "[ . 1 . 2]" 1
310 1 56 SER HG 1 60 ARG H . . 5.130 4.627 4.488 4.835 . 0 0 "[ . 1 . 2]" 1
311 1 60 ARG H 1 60 ARG HD3 . . 5.010 4.883 4.790 5.009 . 0 0 "[ . 1 . 2]" 1
312 1 60 ARG H 1 60 ARG HD2 . . 4.930 4.827 4.612 4.956 0.026 2 0 "[ . 1 . 2]" 1
313 1 59 GLU HB3 1 60 ARG H . . 3.670 2.727 2.586 2.897 . 0 0 "[ . 1 . 2]" 1
314 1 59 GLU HB2 1 60 ARG H . . 4.190 3.914 3.786 4.152 . 0 0 "[ . 1 . 2]" 1
315 1 60 ARG H 1 60 ARG HB3 . . 3.740 3.515 3.477 3.530 . 0 0 "[ . 1 . 2]" 1
316 1 60 ARG H 1 60 ARG HB2 . . 3.210 2.288 2.197 2.339 . 0 0 "[ . 1 . 2]" 1
317 1 52 ILE MG 1 60 ARG H . . 4.860 4.753 4.437 4.866 0.006 9 0 "[ . 1 . 2]" 1
318 1 29 PHE HB2 1 31 LEU H . . 4.240 3.826 3.568 4.181 . 0 0 "[ . 1 . 2]" 1
319 1 31 LEU H 1 31 LEU HG . . 3.580 2.903 2.603 3.147 . 0 0 "[ . 1 . 2]" 1
320 1 31 LEU H 1 31 LEU HB3 . . 3.810 3.202 3.002 3.444 . 0 0 "[ . 1 . 2]" 1
321 1 30 GLY H 1 31 LEU H . . 3.360 2.522 2.176 3.081 . 0 0 "[ . 1 . 2]" 1
322 1 31 LEU H 1 32 GLN H . . 4.760 4.227 4.115 4.354 . 0 0 "[ . 1 . 2]" 1
323 1 29 PHE HB3 1 31 LEU H . . 4.590 4.418 4.148 4.604 0.014 16 0 "[ . 1 . 2]" 1
324 1 31 LEU H 1 58 ALA MB . . 4.320 3.903 3.722 4.059 . 0 0 "[ . 1 . 2]" 1
325 1 49 VAL H 1 67 GLY H . . 4.410 2.571 2.036 2.823 . 0 0 "[ . 1 . 2]" 1
326 1 66 VAL H 1 67 GLY H . . 5.000 4.603 4.537 4.654 . 0 0 "[ . 1 . 2]" 1
327 1 67 GLY H 1 68 ASP H . . 3.670 2.710 2.136 3.004 . 0 0 "[ . 1 . 2]" 1
328 1 49 VAL HB 1 67 GLY H . . 3.780 2.528 2.258 2.982 . 0 0 "[ . 1 . 2]" 1
329 1 66 VAL HB 1 67 GLY H . . 4.790 4.284 3.688 4.471 . 0 0 "[ . 1 . 2]" 1
330 1 48 LEU HB3 1 67 GLY H . . 4.940 3.197 2.603 3.427 . 0 0 "[ . 1 . 2]" 1
331 1 66 VAL QG 1 67 GLY H . . 3.340 2.365 2.093 2.661 . 0 0 "[ . 1 . 2]" 1
332 1 44 SER H 1 45 SER H . . 3.800 2.409 2.256 2.507 . 0 0 "[ . 1 . 2]" 1
333 1 43 LEU HA 1 45 SER H . . 4.260 3.496 3.396 3.678 . 0 0 "[ . 1 . 2]" 1
334 1 45 SER H 1 79 GLU HA . . 5.120 4.568 4.186 4.910 . 0 0 "[ . 1 . 2]" 1
335 1 44 SER HB2 1 45 SER H . . 4.470 3.489 3.066 4.252 . 0 0 "[ . 1 . 2]" 1
336 1 45 SER H 1 45 SER QB . . 3.730 2.851 2.518 3.211 . 0 0 "[ . 1 . 2]" 1
337 1 43 LEU HB3 1 45 SER H . . 3.790 3.089 2.923 3.245 . 0 0 "[ . 1 . 2]" 1
338 1 43 LEU QD 1 45 SER H . . 4.290 3.488 3.262 3.890 . 0 0 "[ . 1 . 2]" 1
339 1 41 GLU QB 1 42 THR H . . 4.200 3.205 1.841 3.615 . 0 0 "[ . 1 . 2]" 1
340 1 42 THR H 1 82 THR MG . . 3.960 2.864 1.904 3.952 . 0 0 "[ . 1 . 2]" 1
341 1 13 HIS HB2 1 14 THR H . . 4.900 3.659 2.117 4.666 . 0 0 "[ . 1 . 2]" 1
342 1 87 ASN H 1 87 ASN HD21 . . 4.370 2.726 2.125 3.134 . 0 0 "[ . 1 . 2]" 1
343 1 87 ASN H 1 87 ASN HD22 . . 4.940 4.004 3.691 4.216 . 0 0 "[ . 1 . 2]" 1
344 1 87 ASN H 1 88 GLN HA . . 5.380 5.209 5.074 5.337 . 0 0 "[ . 1 . 2]" 1
345 1 87 ASN H 1 87 ASN HB2 . . 3.340 2.178 2.119 2.232 . 0 0 "[ . 1 . 2]" 1
346 1 77 ALA H 1 78 THR H . . 4.980 4.559 4.460 4.637 . 0 0 "[ . 1 . 2]" 1
347 1 72 SER H 1 78 THR H . . 5.470 4.557 4.435 4.671 . 0 0 "[ . 1 . 2]" 1
348 1 72 SER HA 1 78 THR H . . 3.630 2.292 2.091 2.543 . 0 0 "[ . 1 . 2]" 1
349 1 71 LEU HA 1 78 THR H . . 4.710 4.248 3.986 4.520 . 0 0 "[ . 1 . 2]" 1
350 1 35 GLY H 1 36 GLY H . . 5.090 4.182 4.026 4.330 . 0 0 "[ . 1 . 2]" 1
351 1 35 GLY H 1 83 MET HG2 . . 4.930 3.989 3.345 4.385 . 0 0 "[ . 1 . 2]" 1
352 1 35 GLY H 1 83 MET HG3 . . 5.100 4.239 3.325 5.098 . 0 0 "[ . 1 . 2]" 1
353 1 34 GLN HG2 1 35 GLY H . . 4.380 3.782 2.577 4.344 . 0 0 "[ . 1 . 2]" 1
354 1 34 GLN HG3 1 35 GLY H . . 4.540 3.374 2.984 4.387 . 0 0 "[ . 1 . 2]" 1
355 1 34 GLN HB2 1 35 GLY H . . 4.190 4.189 3.913 4.237 0.047 12 0 "[ . 1 . 2]" 1
356 1 55 ASP HB2 1 56 SER H . . 4.950 4.064 3.736 4.393 . 0 0 "[ . 1 . 2]" 1
357 1 27 SER H 1 28 GLY HA2 . . 5.050 4.693 4.569 4.797 . 0 0 "[ . 1 . 2]" 1
358 1 27 SER H 1 28 GLY HA3 . . 5.120 5.070 4.954 5.159 0.039 17 0 "[ . 1 . 2]" 1
359 1 26 LEU HB2 1 27 SER H . . 3.900 2.889 2.729 3.015 . 0 0 "[ . 1 . 2]" 1
360 1 26 LEU HB3 1 27 SER H . . 3.940 3.040 2.905 3.184 . 0 0 "[ . 1 . 2]" 1
361 1 55 ASP H 1 56 SER H . . 3.700 2.569 2.428 2.653 . 0 0 "[ . 1 . 2]" 1
362 1 56 SER H 1 59 GLU H . . 4.120 3.894 3.714 3.996 . 0 0 "[ . 1 . 2]" 1
363 1 56 SER H 1 56 SER HG . . 3.300 3.287 3.194 3.325 0.025 19 0 "[ . 1 . 2]" 1
364 1 54 PRO HA 1 56 SER H . . 4.250 3.146 3.075 3.314 . 0 0 "[ . 1 . 2]" 1
365 1 55 ASP HA 1 56 SER H . . 3.640 3.202 3.112 3.263 . 0 0 "[ . 1 . 2]" 1
366 1 56 SER H 1 56 SER HB3 . . 3.630 2.204 2.148 2.280 . 0 0 "[ . 1 . 2]" 1
367 1 55 ASP HB3 1 56 SER H . . 4.980 4.065 3.752 4.531 . 0 0 "[ . 1 . 2]" 1
368 1 56 SER H 1 59 GLU HB3 . . 3.640 2.685 2.489 2.910 . 0 0 "[ . 1 . 2]" 1
369 1 56 SER H 1 59 GLU HB2 . . 3.940 3.365 3.107 3.727 . 0 0 "[ . 1 . 2]" 1
370 1 53 GLU HB3 1 56 SER H . . 4.610 3.772 3.611 3.940 . 0 0 "[ . 1 . 2]" 1
371 1 60 ARG H 1 61 CYS H . . 3.450 2.759 2.659 2.846 . 0 0 "[ . 1 . 2]" 1
372 1 57 PRO HA 1 61 CYS H . . 4.670 4.251 3.919 4.540 . 0 0 "[ . 1 . 2]" 1
373 1 59 GLU HA 1 61 CYS H . . 5.110 3.859 3.550 4.118 . 0 0 "[ . 1 . 2]" 1
374 1 61 CYS H 1 61 CYS QB . . 3.420 2.145 2.029 2.241 . 0 0 "[ . 1 . 2]" 1
375 1 59 GLU HB3 1 61 CYS H . . 5.240 4.937 4.712 5.176 . 0 0 "[ . 1 . 2]" 1
376 1 60 ARG HB3 1 61 CYS H . . 4.170 3.678 3.341 3.974 . 0 0 "[ . 1 . 2]" 1
377 1 60 ARG HB2 1 61 CYS H . . 3.880 2.989 2.809 3.241 . 0 0 "[ . 1 . 2]" 1
378 1 60 ARG HG3 1 61 CYS H . . 4.850 4.885 4.824 4.932 0.082 18 0 "[ . 1 . 2]" 1
379 1 58 ALA MB 1 61 CYS H . . 5.210 4.842 4.715 4.995 . 0 0 "[ . 1 . 2]" 1
380 1 21 LEU QD 1 61 CYS H . . 4.180 3.462 3.137 3.753 . 0 0 "[ . 1 . 2]" 1
381 1 74 ASN HD21 1 99 VAL HA . . 4.940 3.800 2.454 4.444 . 0 0 "[ . 1 . 2]" 1
382 1 74 ASN HD21 1 99 VAL MG2 . . 4.920 2.737 1.897 3.386 . 0 0 "[ . 1 . 2]" 1
383 1 15 GLU H 1 16 THR H . . 4.710 4.541 4.417 4.632 . 0 0 "[ . 1 . 2]" 1
384 1 15 GLU HB2 1 16 THR H . . 3.620 3.826 3.187 4.186 0.566 2 1 "[ + . 1 . 2]" 1
385 1 15 GLU HB3 1 16 THR H . . 4.250 2.517 1.936 2.955 . 0 0 "[ . 1 . 2]" 1
386 1 24 ASP H 1 28 GLY H . . 4.220 3.713 2.944 4.195 . 0 0 "[ . 1 . 2]" 1
387 1 26 LEU HA 1 28 GLY H . . 4.980 4.043 3.630 4.467 . 0 0 "[ . 1 . 2]" 1
388 1 27 SER HB2 1 28 GLY H . . 4.430 3.857 2.930 4.459 0.029 3 0 "[ . 1 . 2]" 1
389 1 24 ASP QB 1 28 GLY H . . 4.290 3.299 2.833 3.663 . 0 0 "[ . 1 . 2]" 1
390 1 71 LEU H 1 72 SER H . . 3.250 2.761 2.513 3.245 . 0 0 "[ . 1 . 2]" 1
391 1 72 SER H 1 73 ILE H . . 4.820 4.440 4.406 4.463 . 0 0 "[ . 1 . 2]" 1
392 1 72 SER H 1 102 GLU HA . . 5.280 4.806 4.652 4.984 . 0 0 "[ . 1 . 2]" 1
393 1 72 SER H 1 77 ALA HA . . 5.120 4.388 4.236 4.616 . 0 0 "[ . 1 . 2]" 1
394 1 70 VAL HA 1 72 SER H . . 4.140 4.133 3.976 4.181 0.041 19 0 "[ . 1 . 2]" 1
395 1 72 SER H 1 102 GLU HG2 . . 4.890 3.637 3.391 4.048 . 0 0 "[ . 1 . 2]" 1
396 1 72 SER H 1 102 GLU HB3 . . 3.880 2.129 1.943 2.458 . 0 0 "[ . 1 . 2]" 1
397 1 72 SER H 1 102 GLU HB2 . . 4.070 3.780 3.546 4.082 0.012 11 0 "[ . 1 . 2]" 1
398 1 71 LEU HB3 1 72 SER H . . 4.100 3.385 3.193 3.505 . 0 0 "[ . 1 . 2]" 1
399 1 71 LEU HB2 1 72 SER H . . 3.790 2.336 2.192 2.435 . 0 0 "[ . 1 . 2]" 1
400 1 72 SER H 1 78 THR MG . . 4.310 3.748 3.622 3.910 . 0 0 "[ . 1 . 2]" 1
401 1 70 VAL MG1 1 72 SER H . . 3.400 3.230 2.924 3.431 0.031 3 0 "[ . 1 . 2]" 1
402 1 107 SER HA 1 108 GLY H . . 3.430 2.315 2.216 2.530 . 0 0 "[ . 1 . 2]" 1
403 1 107 SER HB2 1 108 GLY H . . 4.640 4.500 3.870 4.742 0.102 3 0 "[ . 1 . 2]" 1
404 1 107 SER HB3 1 108 GLY H . . 4.780 4.576 4.379 4.700 . 0 0 "[ . 1 . 2]" 1
405 1 108 GLY H 1 109 PRO QD . . 4.830 4.126 3.656 4.301 . 0 0 "[ . 1 . 2]" 1
406 1 106 ASP QB 1 108 GLY H . . 5.440 4.391 3.281 5.185 . 0 0 "[ . 1 . 2]" 1
407 1 95 LEU HA 1 97 HIS H . . 4.790 3.749 3.586 3.926 . 0 0 "[ . 1 . 2]" 1
408 1 94 ALA HA 1 97 HIS H . . 4.030 3.089 2.963 3.306 . 0 0 "[ . 1 . 2]" 1
409 1 94 ALA MB 1 97 HIS H . . 5.030 4.179 4.060 4.312 . 0 0 "[ . 1 . 2]" 1
410 1 82 THR H 1 85 GLU H . . 4.150 3.507 3.103 3.735 . 0 0 "[ . 1 . 2]" 1
411 1 81 GLY HA3 1 82 THR H . . 3.340 2.581 2.396 2.925 . 0 0 "[ . 1 . 2]" 1
412 1 82 THR H 1 85 GLU HB2 . . 3.550 2.084 1.940 2.442 . 0 0 "[ . 1 . 2]" 1
413 1 82 THR H 1 85 GLU HB3 . . 3.950 3.379 3.090 3.885 . 0 0 "[ . 1 . 2]" 1
414 1 22 CYS H 1 23 GLY H . . 4.960 4.254 4.010 4.473 . 0 0 "[ . 1 . 2]" 1
415 1 23 GLY H 1 29 PHE HZ . . 5.180 4.144 3.656 4.572 . 0 0 "[ . 1 . 2]" 1
416 1 23 GLY H 1 98 LYS HA . . 4.060 4.030 3.740 4.089 0.029 16 0 "[ . 1 . 2]" 1
417 1 23 GLY H 1 97 HIS HA . . 4.160 2.898 2.597 3.240 . 0 0 "[ . 1 . 2]" 1
418 1 23 GLY H 1 97 HIS QB . . 4.220 3.863 3.339 4.222 0.002 10 0 "[ . 1 . 2]" 1
419 1 81 GLY H 1 82 THR H . . 4.380 4.346 4.280 4.408 0.028 12 0 "[ . 1 . 2]" 1
420 1 79 GLU H 1 81 GLY H . . 4.870 4.440 3.837 4.872 0.002 15 0 "[ . 1 . 2]" 1
421 1 79 GLU HA 1 81 GLY H . . 4.080 3.540 3.310 3.804 . 0 0 "[ . 1 . 2]" 1
422 1 80 ASP HB2 1 81 GLY H . . 4.660 4.351 3.642 4.608 . 0 0 "[ . 1 . 2]" 1
423 1 80 ASP HB3 1 81 GLY H . . 4.490 4.158 3.201 4.440 . 0 0 "[ . 1 . 2]" 1
424 1 43 LEU HB2 1 81 GLY H . . 4.650 3.543 3.052 4.530 . 0 0 "[ . 1 . 2]" 1
425 1 42 THR MG 1 81 GLY H . . 4.260 2.952 2.447 3.452 . 0 0 "[ . 1 . 2]" 1
426 1 43 LEU QD 1 81 GLY H . . 4.840 4.433 4.160 4.732 . 0 0 "[ . 1 . 2]" 1
427 1 40 THR H 1 41 GLU H . . 4.970 4.121 2.951 4.476 . 0 0 "[ . 1 . 2]" 1
428 1 30 GLY H 1 53 GLU HB2 . . 5.310 4.529 4.244 4.640 . 0 0 "[ . 1 . 2]" 1
429 1 30 GLY H 1 57 PRO HD2 . . 5.310 3.882 3.736 4.098 . 0 0 "[ . 1 . 2]" 1
430 1 76 ILE HB 1 77 ALA H . . 4.970 4.326 4.213 4.438 . 0 0 "[ . 1 . 2]" 1
431 1 76 ILE HG12 1 77 ALA H . . 5.040 4.986 4.785 5.064 0.024 8 0 "[ . 1 . 2]" 1
432 1 21 LEU H 1 101 LEU H . . 5.300 4.742 4.245 5.168 . 0 0 "[ . 1 . 2]" 1
433 1 100 VAL HB 1 101 LEU H . . 5.080 4.316 4.007 4.529 . 0 0 "[ . 1 . 2]" 1
434 1 101 LEU H 1 101 LEU HB2 . . 3.820 2.789 2.368 2.972 . 0 0 "[ . 1 . 2]" 1
435 1 101 LEU H 1 101 LEU HG . . 4.080 3.652 2.567 4.110 0.030 20 0 "[ . 1 . 2]" 1
436 1 19 VAL MG1 1 101 LEU H . . 4.360 3.980 3.487 4.331 . 0 0 "[ . 1 . 2]" 1
437 1 74 ASN H 1 75 GLY H . . 3.870 2.553 2.507 2.602 . 0 0 "[ . 1 . 2]" 1
438 1 73 ILE HA 1 75 GLY H . . 4.770 3.373 3.313 3.422 . 0 0 "[ . 1 . 2]" 1
439 1 74 ASN HB2 1 75 GLY H . . 5.270 3.989 3.672 4.078 . 0 0 "[ . 1 . 2]" 1
440 1 75 GLY H 1 100 VAL MG1 . . 5.050 3.959 3.272 4.521 . 0 0 "[ . 1 . 2]" 1
441 1 53 GLU H 1 56 SER HG . . 4.690 2.676 2.482 2.937 . 0 0 "[ . 1 . 2]" 1
442 1 71 LEU H 1 71 LEU HB2 . . 3.780 2.436 2.305 2.574 . 0 0 "[ . 1 . 2]" 1
443 1 71 LEU H 1 103 VAL MG1 . . 4.590 4.460 4.200 4.600 0.010 9 0 "[ . 1 . 2]" 1
444 1 20 VAL H 1 20 VAL HB . . 3.320 2.434 2.305 2.600 . 0 0 "[ . 1 . 2]" 1
445 1 19 VAL HB 1 20 VAL H . . 4.590 4.288 3.795 4.564 . 0 0 "[ . 1 . 2]" 1
446 1 19 VAL MG1 1 20 VAL H . . 3.330 2.550 2.004 3.075 . 0 0 "[ . 1 . 2]" 1
447 1 41 GLU H 1 42 THR H . . 5.050 3.904 1.836 4.633 . 0 0 "[ . 1 . 2]" 1
448 1 10 GLN HB2 1 11 ILE H . . 4.850 4.092 2.672 4.744 . 0 0 "[ . 1 . 2]" 1
449 1 10 GLN HB3 1 11 ILE H . . 5.160 3.642 2.490 4.541 . 0 0 "[ . 1 . 2]" 1
450 1 11 ILE HG12 1 12 VAL H . . 5.500 4.469 2.649 5.443 . 0 0 "[ . 1 . 2]" 1
451 1 12 VAL HB 1 13 HIS H . . 5.500 4.082 2.365 4.586 . 0 0 "[ . 1 . 2]" 1
452 1 14 THR H 1 15 GLU H . . 5.500 4.526 4.422 4.674 . 0 0 "[ . 1 . 2]" 1
453 1 12 VAL QG 1 14 THR H . . 5.500 3.635 2.082 5.266 . 0 0 "[ . 1 . 2]" 1
454 1 15 GLU H 1 105 PHE QD . . 5.480 4.119 3.703 4.525 . 0 0 "[ . 1 . 2]" 1
455 1 19 VAL H 1 19 VAL HB . . 3.410 2.400 2.257 2.560 . 0 0 "[ . 1 . 2]" 1
456 1 19 VAL H 1 101 LEU HG . . 5.500 5.187 4.488 5.513 0.013 18 0 "[ . 1 . 2]" 1
457 1 21 LEU H 1 99 VAL H . . 4.000 2.963 2.635 3.217 . 0 0 "[ . 1 . 2]" 1
458 1 21 LEU H 1 22 CYS H . . 4.600 4.557 4.485 4.614 0.014 13 0 "[ . 1 . 2]" 1
459 1 22 CYS H 1 99 VAL MG1 . . 5.500 4.597 4.403 4.842 . 0 0 "[ . 1 . 2]" 1
460 1 23 GLY H 1 29 PHE QE . . 3.890 2.257 1.923 2.657 . 0 0 "[ . 1 . 2]" 1
461 1 24 ASP H 1 27 SER H . . 5.450 3.952 3.659 4.509 . 0 0 "[ . 1 . 2]" 1
462 1 26 LEU H 1 27 SER H . . 3.390 2.335 2.089 2.865 . 0 0 "[ . 1 . 2]" 1
463 1 26 LEU MD1 1 27 SER H . . 5.340 4.586 4.453 4.733 . 0 0 "[ . 1 . 2]" 1
464 1 27 SER H 1 28 GLY H . . 3.370 2.474 2.292 2.577 . 0 0 "[ . 1 . 2]" 1
465 1 28 GLY H 1 29 PHE H . . 4.880 4.561 4.458 4.668 . 0 0 "[ . 1 . 2]" 1
466 1 26 LEU HB3 1 28 GLY H . . 5.460 4.913 4.715 5.193 . 0 0 "[ . 1 . 2]" 1
467 1 26 LEU HB2 1 28 GLY H . . 5.320 4.758 4.603 4.955 . 0 0 "[ . 1 . 2]" 1
468 1 29 PHE H 1 31 LEU MD2 . . 5.500 4.724 3.948 5.178 . 0 0 "[ . 1 . 2]" 1
469 1 29 PHE H 1 94 ALA MB . . 5.360 4.208 3.568 4.579 . 0 0 "[ . 1 . 2]" 1
470 1 28 GLY HA3 1 30 GLY H . . 5.370 4.648 3.351 5.195 . 0 0 "[ . 1 . 2]" 1
471 1 30 GLY H 1 31 LEU HG . . 5.410 4.172 3.126 5.424 0.014 20 0 "[ . 1 . 2]" 1
472 1 31 LEU H 1 53 GLU H . . 5.470 4.341 4.098 4.638 . 0 0 "[ . 1 . 2]" 1
473 1 38 PHE HB2 1 40 THR H . . 5.500 4.544 3.088 5.502 0.002 18 0 "[ . 1 . 2]" 1
474 1 42 THR H 1 43 LEU H . . 4.890 4.622 4.042 4.674 . 0 0 "[ . 1 . 2]" 1
475 1 48 LEU H 1 49 VAL H . . 5.010 4.552 4.466 4.591 . 0 0 "[ . 1 . 2]" 1
476 1 51 PHE QD 1 52 ILE H . . 4.330 2.762 2.542 2.913 . 0 0 "[ . 1 . 2]" 1
477 1 51 PHE QE 1 53 GLU H . . 5.490 3.670 3.474 3.995 . 0 0 "[ . 1 . 2]" 1
478 1 51 PHE QD 1 53 GLU H . . 5.500 4.318 3.981 4.511 . 0 0 "[ . 1 . 2]" 1
479 1 32 GLN H 1 53 GLU H . . 5.500 4.983 4.685 5.177 . 0 0 "[ . 1 . 2]" 1
480 1 58 ALA H 1 59 GLU H . . 3.620 2.636 2.560 2.739 . 0 0 "[ . 1 . 2]" 1
481 1 56 SER H 1 58 ALA H . . 5.390 5.317 5.070 5.426 0.036 20 0 "[ . 1 . 2]" 1
482 1 58 ALA MB 1 60 ARG H . . 5.370 4.705 4.533 4.812 . 0 0 "[ . 1 . 2]" 1
483 1 55 ASP H 1 60 ARG H . . 5.500 5.497 5.421 5.528 0.028 5 0 "[ . 1 . 2]" 1
484 1 61 CYS H 1 62 GLY H . . 3.450 2.560 2.550 2.566 . 0 0 "[ . 1 . 2]" 1
485 1 61 CYS QB 1 62 GLY H . . 5.070 2.996 2.949 3.032 . 0 0 "[ . 1 . 2]" 1
486 1 62 GLY H 1 63 LEU H . . 3.730 3.646 3.415 3.733 0.003 17 0 "[ . 1 . 2]" 1
487 1 63 LEU H 1 64 LEU H . . 3.090 2.846 2.607 3.145 0.055 15 0 "[ . 1 . 2]" 1
488 1 62 GLY H 1 64 LEU H . . 4.620 3.674 3.360 4.049 . 0 0 "[ . 1 . 2]" 1
489 1 68 ASP H 1 69 ARG H . . 5.300 4.358 2.147 4.675 . 0 0 "[ . 1 . 2]" 1
490 1 70 VAL H 1 71 LEU H . . 5.220 4.034 3.427 4.404 . 0 0 "[ . 1 . 2]" 1
491 1 74 ASN H 1 100 VAL MG2 . . 4.960 4.548 4.276 4.775 . 0 0 "[ . 1 . 2]" 1
492 1 73 ILE H 1 75 GLY H . . 5.190 3.165 3.051 3.396 . 0 0 "[ . 1 . 2]" 1
493 1 75 GLY H 1 76 ILE HB . . 5.500 4.484 4.324 4.620 . 0 0 "[ . 1 . 2]" 1
494 1 75 GLY H 1 100 VAL HB . . 5.320 4.336 3.778 4.944 . 0 0 "[ . 1 . 2]" 1
495 1 74 ASN H 1 76 ILE H . . 5.350 4.032 3.945 4.099 . 0 0 "[ . 1 . 2]" 1
496 1 78 THR H 1 79 GLU H . . 3.430 2.532 2.337 2.681 . 0 0 "[ . 1 . 2]" 1
497 1 80 ASP H 1 81 GLY H . . 3.250 2.809 2.478 3.155 . 0 0 "[ . 1 . 2]" 1
498 1 84 GLU H 1 85 GLU H . . 3.550 2.926 2.291 3.108 . 0 0 "[ . 1 . 2]" 1
499 1 88 GLN H 1 89 LEU H . . 3.410 2.746 2.579 2.927 . 0 0 "[ . 1 . 2]" 1
500 1 90 LEU H 1 92 ASP H . . 5.180 4.690 4.431 5.029 . 0 0 "[ . 1 . 2]" 1
501 1 91 ARG H 1 93 ALA H . . 5.200 3.919 3.539 4.219 . 0 0 "[ . 1 . 2]" 1
502 1 90 LEU H 1 91 ARG H . . 3.400 2.563 2.376 2.749 . 0 0 "[ . 1 . 2]" 1
503 1 90 LEU QD 1 91 ARG H . . 5.100 4.147 3.987 4.268 . 0 0 "[ . 1 . 2]" 1
504 1 91 ARG H 1 94 ALA MB . . 5.500 4.607 4.277 4.848 . 0 0 "[ . 1 . 2]" 1
505 1 91 ARG H 1 92 ASP HB3 . . 5.260 5.149 4.946 5.318 0.058 17 0 "[ . 1 . 2]" 1
506 1 91 ARG H 1 91 ARG HD3 . . 5.500 4.902 4.762 5.047 . 0 0 "[ . 1 . 2]" 1
507 1 90 LEU QD 1 93 ALA H . . 5.320 4.446 4.280 4.596 . 0 0 "[ . 1 . 2]" 1
508 1 94 ALA H 1 95 LEU H . . 3.260 2.677 2.443 2.797 . 0 0 "[ . 1 . 2]" 1
509 1 29 PHE QE 1 94 ALA H . . 3.720 3.131 2.845 3.444 . 0 0 "[ . 1 . 2]" 1
510 1 96 ALA H 1 97 HIS H . . 3.200 2.197 2.045 2.341 . 0 0 "[ . 1 . 2]" 1
511 1 97 HIS H 1 97 HIS HD2 . . 4.350 2.811 2.115 3.852 . 0 0 "[ . 1 . 2]" 1
512 1 101 LEU H 1 102 GLU H . . 5.260 4.464 4.413 4.522 . 0 0 "[ . 1 . 2]" 1
513 1 71 LEU H 1 102 GLU H . . 5.210 3.972 3.647 4.217 . 0 0 "[ . 1 . 2]" 1
514 1 102 GLU H 1 103 VAL H . . 4.930 4.203 4.059 4.273 . 0 0 "[ . 1 . 2]" 1
515 1 72 SER H 1 102 GLU H . . 3.570 3.099 2.833 3.306 . 0 0 "[ . 1 . 2]" 1
516 1 71 LEU H 1 104 GLU H . . 5.050 4.379 3.928 4.788 . 0 0 "[ . 1 . 2]" 1
517 1 34 GLN HB3 1 34 GLN HE22 . . 5.500 4.179 4.006 4.451 . 0 0 "[ . 1 . 2]" 1
518 1 88 GLN HA 1 88 GLN HE21 . . 5.500 3.132 2.982 3.413 . 0 0 "[ . 1 . 2]" 1
519 1 88 GLN HE21 1 92 ASP H . . 5.500 3.837 3.520 5.395 . 0 0 "[ . 1 . 2]" 1
520 1 88 GLN HA 1 88 GLN HE22 . . 5.500 4.073 3.467 4.304 . 0 0 "[ . 1 . 2]" 1
521 1 88 GLN HE22 1 92 ASP H . . 5.500 5.375 4.649 5.508 0.008 4 0 "[ . 1 . 2]" 1
522 1 30 GLY H 1 56 SER HB2 . . 5.420 4.594 4.129 4.952 . 0 0 "[ . 1 . 2]" 1
523 1 37 ILE HB 1 38 PHE H . . 3.910 2.688 1.974 3.740 . 0 0 "[ . 1 . 2]" 1
524 1 73 ILE H 1 78 THR H . . 4.730 4.303 4.041 4.705 . 0 0 "[ . 1 . 2]" 1
525 1 60 ARG H 1 62 GLY H . . 5.500 4.101 3.976 4.276 . 0 0 "[ . 1 . 2]" 1
526 1 33 LEU H 1 34 GLN H . . 4.810 4.573 4.451 4.607 . 0 0 "[ . 1 . 2]" 1
527 1 69 ARG H 1 69 ARG HE . . 5.500 4.701 2.079 5.506 0.006 16 0 "[ . 1 . 2]" 1
528 1 69 ARG HB2 1 69 ARG HE . . 4.790 3.208 2.433 4.520 . 0 0 "[ . 1 . 2]" 1
529 1 43 LEU H 1 81 GLY H . . 4.930 3.160 2.754 4.312 . 0 0 "[ . 1 . 2]" 1
530 1 65 GLN HB3 1 65 GLN HE22 . . 5.500 4.223 3.283 4.744 . 0 0 "[ . 1 . 2]" 1
531 1 20 VAL H 1 21 LEU H . . 4.620 4.173 3.895 4.400 . 0 0 "[ . 1 . 2]" 1
532 1 97 HIS H 1 98 LYS H . . 3.560 2.564 2.421 2.618 . 0 0 "[ . 1 . 2]" 1
533 1 33 LEU MD2 1 49 VAL H . . 4.510 4.369 3.956 4.522 0.012 1 0 "[ . 1 . 2]" 1
534 1 71 LEU H 1 71 LEU MD2 . . 3.920 2.982 2.611 3.339 . 0 0 "[ . 1 . 2]" 1
535 1 29 PHE HZ 1 97 HIS H . . 4.900 4.224 3.512 4.676 . 0 0 "[ . 1 . 2]" 1
536 1 29 PHE QE 1 98 LYS H . . 4.430 4.190 3.655 4.481 0.051 13 0 "[ . 1 . 2]" 1
537 1 98 LYS H 1 99 VAL MG2 . . 5.500 5.421 5.325 5.502 0.002 7 0 "[ . 1 . 2]" 1
538 1 96 ALA H 1 98 LYS H . . 4.290 3.410 3.297 3.661 . 0 0 "[ . 1 . 2]" 1
539 1 33 LEU H 1 87 ASN HD22 . . 5.260 4.408 3.653 4.961 . 0 0 "[ . 1 . 2]" 1
540 1 34 GLN HE21 1 48 LEU QD . . 5.470 2.575 1.904 3.737 . 0 0 "[ . 1 . 2]" 1
541 1 35 GLY H 1 43 LEU QD . . 5.490 4.518 4.150 4.771 . 0 0 "[ . 1 . 2]" 1
542 1 70 VAL HB 1 71 LEU H . . 5.220 4.545 4.436 4.630 . 0 0 "[ . 1 . 2]" 1
543 1 35 GLY HA3 1 48 LEU H . . 5.260 4.944 4.260 5.188 . 0 0 "[ . 1 . 2]" 1
544 1 47 PRO HG2 1 70 VAL H . . 4.530 4.455 4.128 4.540 0.010 20 0 "[ . 1 . 2]" 1
545 1 73 ILE HA 1 73 ILE MD . . 3.970 3.841 3.809 3.892 . 0 0 "[ . 1 . 2]" 1
546 1 73 ILE MD 1 89 LEU HB2 . . 3.590 3.202 2.838 3.470 . 0 0 "[ . 1 . 2]" 1
547 1 73 ILE MD 1 90 LEU HB2 . . 4.010 4.031 3.951 4.124 0.114 2 0 "[ . 1 . 2]" 1
548 1 73 ILE MD 1 90 LEU HG . . 3.470 2.837 2.326 3.394 . 0 0 "[ . 1 . 2]" 1
549 1 73 ILE HB 1 73 ILE MD . . 3.320 2.293 2.199 2.366 . 0 0 "[ . 1 . 2]" 1
550 1 73 ILE MD 1 86 ALA MB . . 3.340 2.331 1.898 2.748 . 0 0 "[ . 1 . 2]" 1
551 1 52 ILE MD 1 66 VAL H . . 3.730 2.931 2.260 3.490 . 0 0 "[ . 1 . 2]" 1
552 1 52 ILE MD 1 65 GLN HA . . 3.060 1.961 1.816 2.346 . 0 0 "[ . 1 . 2]" 1
553 1 52 ILE HB 1 52 ILE MD . . 3.180 2.285 2.212 2.391 . 0 0 "[ . 1 . 2]" 1
554 1 52 ILE MD 1 64 LEU QB . . 3.400 2.776 1.995 3.295 . 0 0 "[ . 1 . 2]" 1
555 1 49 VAL MG1 1 52 ILE MD . . 3.010 1.917 1.732 2.527 . 0 0 "[ . 1 . 2]" 1
556 1 37 ILE HA 1 37 ILE MD . . 3.940 3.322 1.952 3.849 . 0 0 "[ . 1 . 2]" 1
557 1 37 ILE HB 1 37 ILE MD . . 3.580 2.303 1.960 3.215 . 0 0 "[ . 1 . 2]" 1
558 1 31 LEU H 1 31 LEU HB2 . . 4.040 3.994 3.938 4.050 0.010 16 0 "[ . 1 . 2]" 1
559 1 31 LEU HB3 1 32 GLN H . . 4.420 4.306 4.200 4.387 . 0 0 "[ . 1 . 2]" 1
560 1 28 GLY HA2 1 29 PHE H . . 3.360 3.235 2.967 3.365 0.005 19 0 "[ . 1 . 2]" 1
561 1 35 GLY HA3 1 47 PRO HB3 . . 4.420 2.779 2.216 3.102 . 0 0 "[ . 1 . 2]" 1
562 1 30 GLY HA3 1 57 PRO HD2 . . 3.880 2.373 2.300 2.459 . 0 0 "[ . 1 . 2]" 1
563 1 30 GLY HA3 1 56 SER HG . . 4.710 2.786 2.607 3.012 . 0 0 "[ . 1 . 2]" 1
564 1 30 GLY HA3 1 53 GLU HB2 . . 4.030 2.005 1.981 2.072 . 0 0 "[ . 1 . 2]" 1
565 1 30 GLY HA2 1 53 GLU H . . 4.440 3.527 3.297 3.828 . 0 0 "[ . 1 . 2]" 1
566 1 30 GLY HA2 1 56 SER HG . . 4.740 4.194 4.046 4.399 . 0 0 "[ . 1 . 2]" 1
567 1 30 GLY HA2 1 57 PRO HD2 . . 3.960 3.982 3.915 4.051 0.091 20 0 "[ . 1 . 2]" 1
568 1 30 GLY HA2 1 53 GLU HB2 . . 3.800 2.369 2.247 2.448 . 0 0 "[ . 1 . 2]" 1
569 1 30 GLY HA2 1 58 ALA MB . . 4.570 4.283 4.060 4.473 . 0 0 "[ . 1 . 2]" 1
570 1 21 LEU HB2 1 29 PHE QD . . 4.400 3.913 3.185 4.441 0.041 16 0 "[ . 1 . 2]" 1
571 1 21 LEU HB3 1 29 PHE QD . . 4.370 3.026 2.668 3.348 . 0 0 "[ . 1 . 2]" 1
572 1 23 GLY HA3 1 24 ASP H . . 3.260 2.617 2.472 2.773 . 0 0 "[ . 1 . 2]" 1
573 1 23 GLY HA3 1 29 PHE QE . . 4.650 3.448 3.255 3.849 . 0 0 "[ . 1 . 2]" 1
574 1 23 GLY HA3 1 29 PHE QD . . 4.410 2.755 2.563 2.975 . 0 0 "[ . 1 . 2]" 1
575 1 23 GLY HA3 1 57 PRO HG3 . . 4.350 3.321 2.559 3.747 . 0 0 "[ . 1 . 2]" 1
576 1 23 GLY HA2 1 24 ASP H . . 3.240 2.625 2.478 2.780 . 0 0 "[ . 1 . 2]" 1
577 1 23 GLY HA2 1 29 PHE QE . . 4.320 4.418 4.277 4.663 0.343 4 0 "[ . 1 . 2]" 1
578 1 23 GLY HA2 1 29 PHE QD . . 4.250 4.110 3.800 4.274 0.024 14 0 "[ . 1 . 2]" 1
579 1 33 LEU HB2 1 83 MET ME . . 3.860 2.427 2.014 2.773 . 0 0 "[ . 1 . 2]" 1
580 1 48 LEU HB2 1 49 VAL H . . 4.290 3.347 3.157 3.663 . 0 0 "[ . 1 . 2]" 1
581 1 34 GLN HB3 1 48 LEU HB2 . . 4.570 2.879 2.390 3.526 . 0 0 "[ . 1 . 2]" 1
582 1 81 GLY HA2 1 82 THR H . . 3.520 2.669 2.359 2.873 . 0 0 "[ . 1 . 2]" 1
583 1 81 GLY HA2 1 82 THR MG . . 4.310 3.372 3.048 3.668 . 0 0 "[ . 1 . 2]" 1
584 1 81 GLY HA3 1 82 THR MG . . 4.420 4.230 3.902 4.422 0.002 16 0 "[ . 1 . 2]" 1
585 1 36 GLY HA3 1 37 ILE H . . 3.540 2.811 2.408 3.533 . 0 0 "[ . 1 . 2]" 1
586 1 19 VAL H 1 101 LEU HB2 . . 4.750 3.311 3.124 3.510 . 0 0 "[ . 1 . 2]" 1
587 1 66 VAL QG 1 67 GLY HA3 . . 4.460 3.426 3.131 3.535 . 0 0 "[ . 1 . 2]" 1
588 1 48 LEU HB3 1 67 GLY HA2 . . 4.280 2.773 1.971 3.126 . 0 0 "[ . 1 . 2]" 1
589 1 76 ILE H 1 76 ILE MD . . 4.080 3.839 3.686 4.069 . 0 0 "[ . 1 . 2]" 1
590 1 76 ILE HA 1 76 ILE MD . . 3.220 2.261 2.177 2.368 . 0 0 "[ . 1 . 2]" 1
591 1 76 ILE HB 1 76 ILE MD . . 3.410 3.180 3.162 3.199 . 0 0 "[ . 1 . 2]" 1
592 1 91 ARG HB2 1 91 ARG HD2 . . 4.080 3.017 2.684 3.326 . 0 0 "[ . 1 . 2]" 1
593 1 91 ARG HB3 1 91 ARG HD2 . . 3.890 3.228 3.062 3.368 . 0 0 "[ . 1 . 2]" 1
594 1 91 ARG HB2 1 91 ARG HD3 . . 3.880 2.961 2.769 3.104 . 0 0 "[ . 1 . 2]" 1
595 1 91 ARG HB3 1 91 ARG HD3 . . 3.730 2.194 2.051 2.400 . 0 0 "[ . 1 . 2]" 1
596 1 60 ARG HB3 1 60 ARG HD3 . . 3.300 2.154 2.055 2.293 . 0 0 "[ . 1 . 2]" 1
597 1 57 PRO HA 1 60 ARG HD2 . . 4.310 3.949 3.698 4.187 . 0 0 "[ . 1 . 2]" 1
598 1 60 ARG HB3 1 60 ARG HD2 . . 3.770 2.846 2.654 2.945 . 0 0 "[ . 1 . 2]" 1
599 1 24 ASP QB 1 27 SER H . . 4.340 2.146 1.903 2.600 . 0 0 "[ . 1 . 2]" 1
600 1 24 ASP QB 1 26 LEU H . . 4.330 2.105 1.932 2.793 . 0 0 "[ . 1 . 2]" 1
601 1 24 ASP H 1 24 ASP QB . . 3.490 2.255 2.039 2.845 . 0 0 "[ . 1 . 2]" 1
602 1 24 ASP QB 1 25 PRO HD2 . . 3.240 2.102 1.970 2.346 . 0 0 "[ . 1 . 2]" 1
603 1 24 ASP QB 1 25 PRO HD3 . . 3.610 3.057 2.681 3.286 . 0 0 "[ . 1 . 2]" 1
604 1 51 PHE H 1 51 PHE HB2 . . 4.170 3.441 3.361 3.518 . 0 0 "[ . 1 . 2]" 1
605 1 32 GLN HB2 1 51 PHE HB2 . . 4.000 3.780 3.601 3.884 . 0 0 "[ . 1 . 2]" 1
606 1 32 GLN HB3 1 51 PHE HB3 . . 4.110 2.990 2.918 3.149 . 0 0 "[ . 1 . 2]" 1
607 1 32 GLN HB2 1 51 PHE HB3 . . 3.690 2.150 1.991 2.238 . 0 0 "[ . 1 . 2]" 1
608 1 69 ARG H 1 69 ARG HD3 . . 4.320 3.032 2.068 4.576 0.256 6 0 "[ . 1 . 2]" 1
609 1 69 ARG HA 1 69 ARG HD3 . . 4.360 3.834 3.252 4.448 0.088 15 0 "[ . 1 . 2]" 1
610 1 32 GLN HB3 1 51 PHE HB2 . . 4.420 4.440 4.423 4.476 0.056 19 0 "[ . 1 . 2]" 1
611 1 69 ARG HA 1 69 ARG HD2 . . 4.440 4.142 3.689 4.533 0.093 14 0 "[ . 1 . 2]" 1
612 1 69 ARG HB2 1 69 ARG HD2 . . 4.250 3.362 2.476 3.624 . 0 0 "[ . 1 . 2]" 1
613 1 71 LEU H 1 71 LEU HB3 . . 4.060 3.547 3.528 3.569 . 0 0 "[ . 1 . 2]" 1
614 1 71 LEU HB3 1 71 LEU MD1 . . 3.590 2.181 2.113 2.315 . 0 0 "[ . 1 . 2]" 1
615 1 89 LEU H 1 89 LEU HB3 . . 3.940 3.489 3.442 3.523 . 0 0 "[ . 1 . 2]" 1
616 1 73 ILE MD 1 89 LEU HB3 . . 4.170 3.868 3.466 4.160 . 0 0 "[ . 1 . 2]" 1
617 1 90 LEU HB2 1 91 ARG H . . 3.950 3.183 3.006 3.375 . 0 0 "[ . 1 . 2]" 1
618 1 90 LEU HB3 1 91 ARG H . . 4.110 3.439 3.104 3.689 . 0 0 "[ . 1 . 2]" 1
619 1 90 LEU H 1 90 LEU HB3 . . 3.750 3.337 3.223 3.451 . 0 0 "[ . 1 . 2]" 1
620 1 87 ASN HA 1 90 LEU HB3 . . 4.340 4.224 3.874 4.364 0.024 9 0 "[ . 1 . 2]" 1
621 1 90 LEU HB3 1 90 LEU QD . . 3.250 2.138 2.048 2.212 . 0 0 "[ . 1 . 2]" 1
622 1 98 LYS HB3 1 98 LYS HE2 . . 4.480 3.672 2.405 4.503 0.023 1 0 "[ . 1 . 2]" 1
623 1 98 LYS HE2 1 98 LYS HG2 . . 4.180 2.695 1.978 4.107 . 0 0 "[ . 1 . 2]" 1
624 1 98 LYS HE2 1 98 LYS HG3 . . 4.060 3.399 2.373 3.783 . 0 0 "[ . 1 . 2]" 1
625 1 98 LYS HE2 1 100 VAL MG2 . . 3.900 2.526 1.907 3.659 . 0 0 "[ . 1 . 2]" 1
626 1 20 VAL MG1 1 98 LYS HE2 . . 3.690 2.996 1.988 3.693 0.003 19 0 "[ . 1 . 2]" 1
627 1 98 LYS HB2 1 98 LYS HE3 . . 4.520 4.711 4.104 5.192 0.672 9 7 "[ * . * +* * .* - 2]" 1
628 1 98 LYS HE3 1 98 LYS HG2 . . 4.200 3.030 2.403 3.686 . 0 0 "[ . 1 . 2]" 1
629 1 98 LYS HE3 1 98 LYS HG3 . . 4.220 3.140 2.007 4.066 . 0 0 "[ . 1 . 2]" 1
630 1 26 LEU HB3 1 26 LEU MD1 . . 3.590 2.518 2.104 2.869 . 0 0 "[ . 1 . 2]" 1
631 1 43 LEU HB2 1 79 GLU HA . . 4.040 2.698 2.281 2.956 . 0 0 "[ . 1 . 2]" 1
632 1 95 LEU H 1 95 LEU HB3 . . 3.530 3.542 3.526 3.565 0.035 20 0 "[ . 1 . 2]" 1
633 1 92 ASP HA 1 95 LEU HB3 . . 4.540 4.404 4.161 4.547 0.007 19 0 "[ . 1 . 2]" 1
634 1 103 VAL MG1 1 105 PHE QB . . 4.760 3.730 3.232 4.001 . 0 0 "[ . 1 . 2]" 1
635 1 105 PHE QB 1 106 ASP H . . 3.980 2.388 2.054 2.630 . 0 0 "[ . 1 . 2]" 1
636 1 106 ASP H 1 106 ASP QB . . 3.640 2.529 2.251 3.044 . 0 0 "[ . 1 . 2]" 1
637 1 68 ASP H 1 68 ASP QB . . 3.730 2.363 2.109 2.500 . 0 0 "[ . 1 . 2]" 1
638 1 49 VAL MG1 1 68 ASP QB . . 4.530 3.883 3.452 4.086 . 0 0 "[ . 1 . 2]" 1
639 1 80 ASP H 1 80 ASP HB2 . . 3.920 2.369 2.059 2.530 . 0 0 "[ . 1 . 2]" 1
640 1 77 ALA MB 1 80 ASP HB2 . . 4.480 2.348 2.013 2.764 . 0 0 "[ . 1 . 2]" 1
641 1 80 ASP H 1 80 ASP HB3 . . 3.650 3.055 2.672 3.543 . 0 0 "[ . 1 . 2]" 1
642 1 29 PHE HB3 1 30 GLY H . . 4.310 2.767 2.167 4.329 0.019 6 0 "[ . 1 . 2]" 1
643 1 29 PHE HB2 1 30 GLY H . . 4.150 2.371 1.873 3.821 . 0 0 "[ . 1 . 2]" 1
644 1 73 ILE HB 1 89 LEU HB2 . . 4.360 3.390 3.039 3.717 . 0 0 "[ . 1 . 2]" 1
645 1 92 ASP H 1 92 ASP HB2 . . 3.540 2.194 2.072 2.275 . 0 0 "[ . 1 . 2]" 1
646 1 92 ASP H 1 92 ASP HB3 . . 3.740 2.784 2.651 2.942 . 0 0 "[ . 1 . 2]" 1
647 1 89 LEU HA 1 92 ASP HB3 . . 4.090 3.521 3.346 3.627 . 0 0 "[ . 1 . 2]" 1
648 1 55 ASP H 1 55 ASP HB2 . . 4.070 3.341 3.144 3.794 . 0 0 "[ . 1 . 2]" 1
649 1 54 PRO HB2 1 55 ASP HB2 . . 4.750 3.579 3.267 4.328 . 0 0 "[ . 1 . 2]" 1
650 1 52 ILE HB 1 66 VAL QG . . 4.380 3.399 2.984 4.055 . 0 0 "[ . 1 . 2]" 1
651 1 11 ILE H 1 11 ILE HB . . 3.740 3.005 2.072 3.737 . 0 0 "[ . 1 . 2]" 1
652 1 16 THR HB 1 17 THR H . . 3.330 3.095 2.653 3.340 0.010 3 0 "[ . 1 . 2]" 1
653 1 16 THR H 1 16 THR HB . . 3.980 3.746 3.645 3.877 . 0 0 "[ . 1 . 2]" 1
654 1 16 THR HB 1 102 GLU HG2 . . 4.260 3.516 3.138 3.831 . 0 0 "[ . 1 . 2]" 1
655 1 16 THR HB 1 102 GLU HG3 . . 4.080 2.573 2.217 3.007 . 0 0 "[ . 1 . 2]" 1
656 1 87 ASN H 1 87 ASN HB3 . . 3.690 3.466 3.422 3.497 . 0 0 "[ . 1 . 2]" 1
657 1 18 GLU HG3 1 19 VAL H . . 4.200 3.141 2.728 3.624 . 0 0 "[ . 1 . 2]" 1
658 1 18 GLU H 1 18 GLU HG3 . . 4.480 4.501 4.453 4.522 0.042 2 0 "[ . 1 . 2]" 1
659 1 18 GLU HA 1 18 GLU HG3 . . 3.810 2.382 2.323 2.472 . 0 0 "[ . 1 . 2]" 1
660 1 18 GLU HG3 1 20 VAL MG2 . . 4.290 3.856 3.358 4.285 . 0 0 "[ . 1 . 2]" 1
661 1 18 GLU HG2 1 19 VAL H . . 4.310 3.504 3.225 3.827 . 0 0 "[ . 1 . 2]" 1
662 1 18 GLU HA 1 18 GLU HG2 . . 3.980 3.212 2.888 3.437 . 0 0 "[ . 1 . 2]" 1
663 1 17 THR H 1 17 THR HB . . 3.880 2.846 2.693 3.006 . 0 0 "[ . 1 . 2]" 1
664 1 17 THR HB 1 18 GLU H . . 4.490 4.369 4.153 4.513 0.023 20 0 "[ . 1 . 2]" 1
665 1 17 THR HB 1 105 PHE QE . . 3.670 2.094 1.992 3.134 . 0 0 "[ . 1 . 2]" 1
666 1 14 THR HB 1 15 GLU H . . 3.590 3.378 2.808 3.591 0.001 8 0 "[ . 1 . 2]" 1
667 1 14 THR HB 1 104 GLU HG2 . . 3.820 3.148 2.013 3.818 . 0 0 "[ . 1 . 2]" 1
668 1 14 THR HB 1 104 GLU HG3 . . 3.680 3.301 2.795 3.817 0.137 11 0 "[ . 1 . 2]" 1
669 1 82 THR H 1 85 GLU HG2 . . 4.470 3.950 3.523 4.272 . 0 0 "[ . 1 . 2]" 1
670 1 85 GLU H 1 85 GLU HG2 . . 3.750 3.053 2.386 3.638 . 0 0 "[ . 1 . 2]" 1
671 1 85 GLU HA 1 85 GLU HG2 . . 3.620 2.164 2.007 2.416 . 0 0 "[ . 1 . 2]" 1
672 1 85 GLU H 1 85 GLU HG3 . . 3.750 3.217 2.359 3.749 . 0 0 "[ . 1 . 2]" 1
673 1 82 THR H 1 85 GLU HG3 . . 4.610 2.598 2.027 3.122 . 0 0 "[ . 1 . 2]" 1
674 1 55 ASP H 1 59 GLU QG . . 4.480 2.955 2.677 3.258 . 0 0 "[ . 1 . 2]" 1
675 1 59 GLU QG 1 60 ARG H . . 4.300 3.876 3.619 4.095 . 0 0 "[ . 1 . 2]" 1
676 1 59 GLU H 1 59 GLU QG . . 4.020 4.036 3.968 4.066 0.046 6 0 "[ . 1 . 2]" 1
677 1 56 SER H 1 59 GLU QG . . 4.290 3.868 3.639 4.091 . 0 0 "[ . 1 . 2]" 1
678 1 104 GLU HG2 1 105 PHE H . . 4.280 2.593 2.026 3.264 . 0 0 "[ . 1 . 2]" 1
679 1 14 THR MG 1 104 GLU HG2 . . 3.930 2.095 1.812 2.629 . 0 0 "[ . 1 . 2]" 1
680 1 71 LEU MD1 1 104 GLU HG2 . . 4.660 3.482 3.069 4.108 . 0 0 "[ . 1 . 2]" 1
681 1 16 THR MG 1 104 GLU HG3 . . 3.990 2.627 1.961 3.062 . 0 0 "[ . 1 . 2]" 1
682 1 71 LEU MD1 1 104 GLU HG3 . . 4.760 2.248 1.832 3.377 . 0 0 "[ . 1 . 2]" 1
683 1 79 GLU HA 1 79 GLU HG3 . . 3.980 3.471 2.634 3.784 . 0 0 "[ . 1 . 2]" 1
684 1 79 GLU H 1 79 GLU HG2 . . 3.940 2.690 2.235 3.507 . 0 0 "[ . 1 . 2]" 1
685 1 74 ASN HB2 1 74 ASN HD21 . . 3.640 2.372 2.102 3.552 . 0 0 "[ . 1 . 2]" 1
686 1 74 ASN HB3 1 74 ASN HD21 . . 3.560 2.885 2.192 3.259 . 0 0 "[ . 1 . 2]" 1
687 1 74 ASN HB3 1 74 ASN HD22 . . 4.140 3.803 3.481 3.989 . 0 0 "[ . 1 . 2]" 1
688 1 102 GLU HG2 1 103 VAL H . . 4.440 4.261 3.872 4.441 0.001 5 0 "[ . 1 . 2]" 1
689 1 102 GLU H 1 102 GLU HG2 . . 4.560 4.530 4.377 4.600 0.040 6 0 "[ . 1 . 2]" 1
690 1 102 GLU HA 1 102 GLU HG2 . . 3.890 3.636 3.374 3.736 . 0 0 "[ . 1 . 2]" 1
691 1 102 GLU HG3 1 103 VAL H . . 4.610 2.925 2.759 3.182 . 0 0 "[ . 1 . 2]" 1
692 1 102 GLU H 1 102 GLU HG3 . . 4.480 4.436 4.378 4.549 0.069 12 0 "[ . 1 . 2]" 1
693 1 102 GLU HA 1 102 GLU HG3 . . 4.020 2.483 2.413 2.555 . 0 0 "[ . 1 . 2]" 1
694 1 71 LEU HB2 1 102 GLU HG3 . . 4.390 3.691 3.461 3.933 . 0 0 "[ . 1 . 2]" 1
695 1 16 THR MG 1 102 GLU HG3 . . 4.330 3.005 2.812 3.178 . 0 0 "[ . 1 . 2]" 1
696 1 41 GLU QG 1 42 THR H . . 4.420 4.081 2.250 4.430 0.010 19 0 "[ . 1 . 2]" 1
697 1 41 GLU H 1 41 GLU QG . . 4.100 3.010 2.389 3.965 . 0 0 "[ . 1 . 2]" 1
698 1 38 PHE HB3 1 41 GLU QG . . 4.480 2.903 2.048 4.430 . 0 0 "[ . 1 . 2]" 1
699 1 38 PHE HB2 1 41 GLU QG . . 4.110 2.753 2.250 3.572 . 0 0 "[ . 1 . 2]" 1
700 1 15 GLU QG 1 16 THR H . . 3.890 3.844 3.473 3.997 0.107 15 0 "[ . 1 . 2]" 1
701 1 15 GLU QG 1 105 PHE QE . . 4.130 3.783 3.390 4.145 0.015 18 0 "[ . 1 . 2]" 1
702 1 15 GLU QG 1 105 PHE QD . . 4.170 4.153 4.071 4.204 0.034 15 0 "[ . 1 . 2]" 1
703 1 15 GLU QG 1 107 SER HB2 . . 4.560 3.420 2.266 4.567 0.007 8 0 "[ . 1 . 2]" 1
704 1 15 GLU QG 1 107 SER HB3 . . 4.320 2.828 2.015 4.296 . 0 0 "[ . 1 . 2]" 1
705 1 40 THR HB 1 41 GLU H . . 4.490 3.632 1.953 4.555 0.065 19 0 "[ . 1 . 2]" 1
706 1 42 THR HB 1 43 LEU H . . 3.900 3.806 3.561 3.925 0.025 12 0 "[ . 1 . 2]" 1
707 1 42 THR H 1 42 THR HB . . 3.670 2.579 2.326 3.837 0.167 12 0 "[ . 1 . 2]" 1
708 1 84 GLU H 1 84 GLU QG . . 3.750 3.444 1.844 3.724 . 0 0 "[ . 1 . 2]" 1
709 1 84 GLU HA 1 84 GLU QG . . 3.360 2.155 1.960 3.254 . 0 0 "[ . 1 . 2]" 1
710 1 39 ALA MB 1 84 GLU QG . . 4.040 2.550 2.073 3.613 . 0 0 "[ . 1 . 2]" 1
711 1 53 GLU H 1 53 GLU HG3 . . 3.860 3.296 3.173 3.480 . 0 0 "[ . 1 . 2]" 1
712 1 51 PHE QE 1 53 GLU HG3 . . 4.240 2.858 2.557 3.146 . 0 0 "[ . 1 . 2]" 1
713 1 53 GLU HA 1 53 GLU HG3 . . 3.990 3.201 3.121 3.328 . 0 0 "[ . 1 . 2]" 1
714 1 30 GLY HA2 1 53 GLU HG3 . . 4.130 2.474 2.143 2.832 . 0 0 "[ . 1 . 2]" 1
715 1 53 GLU H 1 53 GLU HG2 . . 4.040 3.614 3.475 3.798 . 0 0 "[ . 1 . 2]" 1
716 1 53 GLU HG2 1 54 PRO HD3 . . 4.260 3.237 3.021 3.392 . 0 0 "[ . 1 . 2]" 1
717 1 51 PHE QE 1 53 GLU HG2 . . 4.230 2.011 1.987 2.070 . 0 0 "[ . 1 . 2]" 1
718 1 53 GLU HA 1 53 GLU HG2 . . 3.980 2.028 1.995 2.050 . 0 0 "[ . 1 . 2]" 1
719 1 53 GLU HG2 1 54 PRO HD2 . . 4.250 3.094 2.866 3.307 . 0 0 "[ . 1 . 2]" 1
720 1 29 PHE QE 1 99 VAL HB . . 4.450 2.435 1.996 2.982 . 0 0 "[ . 1 . 2]" 1
721 1 78 THR HB 1 79 GLU H . . 4.710 4.127 3.884 4.306 . 0 0 "[ . 1 . 2]" 1
722 1 46 PRO HA 1 78 THR HB . . 4.400 4.147 3.697 4.414 0.014 19 0 "[ . 1 . 2]" 1
723 1 47 PRO QD 1 78 THR HB . . 3.610 2.645 2.320 2.875 . 0 0 "[ . 1 . 2]" 1
724 1 47 PRO HG2 1 78 THR HB . . 4.270 3.652 3.301 3.889 . 0 0 "[ . 1 . 2]" 1
725 1 47 PRO HG3 1 78 THR HB . . 3.840 3.005 2.791 3.210 . 0 0 "[ . 1 . 2]" 1
726 1 78 THR HB 1 86 ALA MB . . 4.230 2.719 2.405 3.345 . 0 0 "[ . 1 . 2]" 1
727 1 19 VAL HB 1 101 LEU HB3 . . 4.340 4.025 3.128 4.363 0.023 13 0 "[ . 1 . 2]" 1
728 1 19 VAL HB 1 101 LEU QD . . 4.150 2.482 1.961 3.870 . 0 0 "[ . 1 . 2]" 1
729 1 71 LEU MD2 1 104 GLU HB3 . . 4.500 2.788 2.325 3.024 . 0 0 "[ . 1 . 2]" 1
730 1 16 THR MG 1 104 GLU HB2 . . 4.170 3.506 3.208 3.745 . 0 0 "[ . 1 . 2]" 1
731 1 32 GLN QG 1 33 LEU H . . 4.110 4.015 3.720 4.117 0.007 16 0 "[ . 1 . 2]" 1
732 1 32 GLN H 1 32 GLN QG . . 4.030 3.533 3.369 3.623 . 0 0 "[ . 1 . 2]" 1
733 1 32 GLN HE22 1 32 GLN QG . . 3.720 3.259 3.232 3.333 . 0 0 "[ . 1 . 2]" 1
734 1 32 GLN HA 1 32 GLN QG . . 3.540 2.270 2.003 2.524 . 0 0 "[ . 1 . 2]" 1
735 1 69 ARG HB3 1 104 GLU HB3 . . 4.500 4.004 3.610 4.520 0.020 8 0 "[ . 1 . 2]" 1
736 1 71 LEU MD1 1 104 GLU HB3 . . 4.350 3.290 3.136 3.519 . 0 0 "[ . 1 . 2]" 1
737 1 71 LEU HG 1 104 GLU HB2 . . 4.590 2.191 2.014 2.483 . 0 0 "[ . 1 . 2]" 1
738 1 71 LEU MD2 1 104 GLU HB2 . . 4.260 2.161 1.945 2.472 . 0 0 "[ . 1 . 2]" 1
739 1 88 GLN QG 1 89 LEU H . . 4.500 3.616 3.213 4.301 . 0 0 "[ . 1 . 2]" 1
740 1 88 GLN HE22 1 88 GLN QG . . 3.340 3.274 3.235 3.457 0.117 3 0 "[ . 1 . 2]" 1
741 1 65 GLN H 1 65 GLN HG3 . . 4.380 3.814 3.271 4.427 0.047 12 0 "[ . 1 . 2]" 1
742 1 65 GLN HA 1 65 GLN HG3 . . 4.260 3.676 3.090 4.077 . 0 0 "[ . 1 . 2]" 1
743 1 33 LEU HB3 1 47 PRO HB3 . . 4.230 3.288 3.004 3.654 . 0 0 "[ . 1 . 2]" 1
744 1 100 VAL H 1 100 VAL HB . . 3.620 2.504 2.294 2.760 . 0 0 "[ . 1 . 2]" 1
745 1 47 PRO HB2 1 48 LEU H . . 3.990 3.268 2.935 3.432 . 0 0 "[ . 1 . 2]" 1
746 1 33 LEU HB3 1 47 PRO HB2 . . 3.880 2.203 1.958 2.463 . 0 0 "[ . 1 . 2]" 1
747 1 43 LEU QD 1 47 PRO HB2 . . 4.560 4.234 3.989 4.375 . 0 0 "[ . 1 . 2]" 1
748 1 33 LEU MD2 1 47 PRO HB2 . . 3.830 2.523 2.039 3.299 . 0 0 "[ . 1 . 2]" 1
749 1 74 ASN H 1 100 VAL HB . . 4.250 3.079 2.686 3.414 . 0 0 "[ . 1 . 2]" 1
750 1 57 PRO HA 1 60 ARG H . . 4.030 2.999 2.930 3.137 . 0 0 "[ . 1 . 2]" 1
751 1 57 PRO HA 1 60 ARG HB3 . . 4.030 3.873 3.589 4.059 0.029 19 0 "[ . 1 . 2]" 1
752 1 57 PRO HA 1 60 ARG HB2 . . 3.590 2.251 1.998 2.453 . 0 0 "[ . 1 . 2]" 1
753 1 57 PRO HB2 1 58 ALA H . . 4.010 3.161 3.034 3.296 . 0 0 "[ . 1 . 2]" 1
754 1 29 PHE HA 1 57 PRO HB2 . . 4.520 4.373 3.919 4.545 0.025 8 0 "[ . 1 . 2]" 1
755 1 21 LEU HB3 1 57 PRO HB2 . . 4.560 2.761 2.000 3.734 . 0 0 "[ . 1 . 2]" 1
756 1 15 GLU HB2 1 105 PHE QE . . 4.450 2.882 2.474 3.351 . 0 0 "[ . 1 . 2]" 1
757 1 15 GLU HB3 1 105 PHE QE . . 4.340 2.640 2.019 3.935 . 0 0 "[ . 1 . 2]" 1
758 1 34 GLN HB3 1 50 CYS QB . . 3.960 2.959 2.360 3.184 . 0 0 "[ . 1 . 2]" 1
759 1 25 PRO HB2 1 94 ALA MB . . 4.750 4.378 3.527 5.184 0.434 8 0 "[ . 1 . 2]" 1
760 1 65 GLN H 1 65 GLN HB2 . . 4.130 3.691 2.833 4.059 . 0 0 "[ . 1 . 2]" 1
761 1 65 GLN HB3 1 66 VAL H . . 3.960 3.443 2.235 3.961 0.001 3 0 "[ . 1 . 2]" 1
762 1 25 PRO HB3 1 26 LEU H . . 4.400 4.424 4.110 4.490 0.090 16 0 "[ . 1 . 2]" 1
763 1 25 PRO HB3 1 95 LEU MD2 . . 4.430 1.819 1.770 1.936 . 0 0 "[ . 1 . 2]" 1
764 1 83 MET H 1 83 MET HG2 . . 4.390 4.115 3.734 4.540 0.150 15 0 "[ . 1 . 2]" 1
765 1 83 MET HA 1 83 MET HG2 . . 3.980 2.912 2.303 3.716 . 0 0 "[ . 1 . 2]" 1
766 1 83 MET HA 1 83 MET HG3 . . 4.010 3.395 2.867 3.662 . 0 0 "[ . 1 . 2]" 1
767 1 43 LEU QD 1 83 MET HG3 . . 4.450 3.565 3.234 3.825 . 0 0 "[ . 1 . 2]" 1
768 1 83 MET H 1 83 MET HG3 . . 4.500 4.465 4.367 4.503 0.003 17 0 "[ . 1 . 2]" 1
769 1 32 GLN HB2 1 33 LEU H . . 4.720 4.436 4.132 4.568 . 0 0 "[ . 1 . 2]" 1
770 1 66 VAL HA 1 67 GLY H . . 2.970 2.220 2.185 2.308 . 0 0 "[ . 1 . 2]" 1
771 1 66 VAL HA 1 68 ASP H . . 4.190 3.565 3.144 3.794 . 0 0 "[ . 1 . 2]" 1
772 1 49 VAL HB 1 66 VAL HA . . 3.700 2.175 1.912 2.564 . 0 0 "[ . 1 . 2]" 1
773 1 72 SER HB3 1 73 ILE H . . 3.810 3.664 3.492 3.762 . 0 0 "[ . 1 . 2]" 1
774 1 72 SER HB3 1 78 THR H . . 4.590 3.768 3.629 3.905 . 0 0 "[ . 1 . 2]" 1
775 1 72 SER HB3 1 77 ALA HA . . 3.540 2.007 1.988 2.085 . 0 0 "[ . 1 . 2]" 1
776 1 72 SER HB3 1 77 ALA MB . . 4.300 2.951 2.714 3.167 . 0 0 "[ . 1 . 2]" 1
777 1 72 SER HB2 1 75 GLY H . . 4.520 3.016 2.863 3.228 . 0 0 "[ . 1 . 2]" 1
778 1 72 SER HB2 1 73 ILE H . . 3.480 2.392 2.254 2.652 . 0 0 "[ . 1 . 2]" 1
779 1 72 SER HB2 1 76 ILE H . . 4.170 2.863 2.624 3.077 . 0 0 "[ . 1 . 2]" 1
780 1 72 SER HB2 1 77 ALA HA . . 3.710 3.004 2.774 3.205 . 0 0 "[ . 1 . 2]" 1
781 1 72 SER HB2 1 77 ALA MB . . 4.370 4.038 3.816 4.281 . 0 0 "[ . 1 . 2]" 1
782 1 54 PRO HB3 1 55 ASP H . . 4.050 3.891 3.756 4.057 0.007 9 0 "[ . 1 . 2]" 1
783 1 18 GLU HB3 1 100 VAL MG1 . . 4.330 4.164 3.941 4.382 0.052 9 0 "[ . 1 . 2]" 1
784 1 54 PRO HB2 1 55 ASP H . . 4.410 3.537 3.337 3.771 . 0 0 "[ . 1 . 2]" 1
785 1 18 GLU HB2 1 19 VAL H . . 4.510 4.436 4.297 4.514 0.004 17 0 "[ . 1 . 2]" 1
786 1 25 PRO HA 1 94 ALA MB . . 3.310 2.256 1.949 2.961 . 0 0 "[ . 1 . 2]" 1
787 1 25 PRO HA 1 95 LEU MD2 . . 4.580 2.823 2.085 3.408 . 0 0 "[ . 1 . 2]" 1
788 1 49 VAL HB 1 68 ASP H . . 3.880 2.859 2.155 3.184 . 0 0 "[ . 1 . 2]" 1
789 1 102 GLU HB3 1 103 VAL H . . 4.740 4.450 4.406 4.507 . 0 0 "[ . 1 . 2]" 1
790 1 102 GLU H 1 102 GLU HB3 . . 3.990 2.598 2.506 2.734 . 0 0 "[ . 1 . 2]" 1
791 1 71 LEU MD1 1 102 GLU HB3 . . 5.500 4.221 3.929 4.550 . 0 0 "[ . 1 . 2]" 1
792 1 102 GLU HB2 1 103 VAL H . . 4.860 4.426 4.379 4.469 . 0 0 "[ . 1 . 2]" 1
793 1 71 LEU HB2 1 102 GLU HB2 . . 4.510 4.222 3.864 4.507 . 0 0 "[ . 1 . 2]" 1
794 1 71 LEU HB2 1 102 GLU HB3 . . 4.330 2.660 2.266 3.022 . 0 0 "[ . 1 . 2]" 1
795 1 56 SER HB3 1 58 ALA H . . 4.600 4.480 4.309 4.622 0.022 13 0 "[ . 1 . 2]" 1
796 1 30 GLY HA3 1 56 SER HB3 . . 3.840 2.985 2.882 3.126 . 0 0 "[ . 1 . 2]" 1
797 1 53 GLU HB3 1 56 SER HB3 . . 3.760 2.010 1.988 2.044 . 0 0 "[ . 1 . 2]" 1
798 1 69 ARG HB2 1 71 LEU MD2 . . 4.650 3.738 3.252 4.213 . 0 0 "[ . 1 . 2]" 1
799 1 69 ARG HB2 1 104 GLU H . . 4.700 2.794 2.424 3.758 . 0 0 "[ . 1 . 2]" 1
800 1 69 ARG HB3 1 71 LEU MD2 . . 4.440 2.950 2.626 3.481 . 0 0 "[ . 1 . 2]" 1
801 1 46 PRO HB3 1 78 THR HG1 . . 4.150 3.145 2.675 3.585 . 0 0 "[ . 1 . 2]" 1
802 1 46 PRO HB3 1 47 PRO QD . . 3.950 3.144 3.049 3.229 . 0 0 "[ . 1 . 2]" 1
803 1 46 PRO HB3 1 69 ARG HB3 . . 4.260 4.124 3.954 4.300 0.040 19 0 "[ . 1 . 2]" 1
804 1 46 PRO HB2 1 69 ARG HB3 . . 3.800 2.806 2.436 3.027 . 0 0 "[ . 1 . 2]" 1
805 1 46 PRO HB2 1 71 LEU MD2 . . 4.030 2.908 2.807 3.164 . 0 0 "[ . 1 . 2]" 1
806 1 27 SER H 1 27 SER HB2 . . 3.910 2.499 2.062 3.577 . 0 0 "[ . 1 . 2]" 1
807 1 24 ASP QB 1 27 SER HB2 . . 4.520 2.950 2.015 4.626 0.106 18 0 "[ . 1 . 2]" 1
808 1 27 SER H 1 27 SER HB3 . . 3.920 2.890 2.340 3.560 . 0 0 "[ . 1 . 2]" 1
809 1 27 SER HB3 1 28 GLY H . . 4.670 3.615 2.899 4.241 . 0 0 "[ . 1 . 2]" 1
810 1 24 ASP QB 1 27 SER HB3 . . 4.620 3.076 2.025 4.320 . 0 0 "[ . 1 . 2]" 1
811 1 38 PHE HB2 1 41 GLU QB . . 4.690 3.351 2.310 4.089 . 0 0 "[ . 1 . 2]" 1
812 1 54 PRO HA 1 55 ASP H . . 2.880 2.180 2.150 2.220 . 0 0 "[ . 1 . 2]" 1
813 1 49 VAL HA 1 50 CYS H . . 2.970 2.290 2.227 2.388 . 0 0 "[ . 1 . 2]" 1
814 1 33 LEU HA 1 49 VAL HA . . 3.600 2.783 2.390 3.087 . 0 0 "[ . 1 . 2]" 1
815 1 49 VAL HA 1 49 VAL MG1 . . 3.320 2.532 2.490 2.586 . 0 0 "[ . 1 . 2]" 1
816 1 45 SER QB 1 46 PRO HD3 . . 3.360 2.942 2.763 3.247 . 0 0 "[ . 1 . 2]" 1
817 1 52 ILE MG 1 59 GLU HB3 . . 4.140 3.375 3.113 3.576 . 0 0 "[ . 1 . 2]" 1
818 1 56 SER HG 1 59 GLU HB2 . . 4.550 2.915 2.719 3.259 . 0 0 "[ . 1 . 2]" 1
819 1 34 GLN HB2 1 50 CYS QB . . 3.780 2.049 1.965 2.724 . 0 0 "[ . 1 . 2]" 1
820 1 32 GLN HB2 1 50 CYS QB . . 4.130 3.118 2.814 3.449 . 0 0 "[ . 1 . 2]" 1
821 1 91 ARG HB2 1 92 ASP H . . 3.920 2.952 2.802 3.051 . 0 0 "[ . 1 . 2]" 1
822 1 91 ARG HB3 1 92 ASP H . . 3.960 2.280 2.023 2.560 . 0 0 "[ . 1 . 2]" 1
823 1 91 ARG H 1 91 ARG HB3 . . 3.560 3.161 3.125 3.258 . 0 0 "[ . 1 . 2]" 1
824 1 53 GLU H 1 53 GLU HB3 . . 3.420 3.415 3.384 3.440 0.020 4 0 "[ . 1 . 2]" 1
825 1 51 PHE QE 1 53 GLU HB2 . . 4.910 4.094 3.889 4.281 . 0 0 "[ . 1 . 2]" 1
826 1 53 GLU HB3 1 56 SER HG . . 4.070 3.588 3.436 3.722 . 0 0 "[ . 1 . 2]" 1
827 1 30 GLY HA3 1 53 GLU HB3 . . 4.160 3.294 3.092 3.448 . 0 0 "[ . 1 . 2]" 1
828 1 30 GLY HA2 1 53 GLU HB3 . . 3.800 3.748 3.600 3.816 0.016 12 0 "[ . 1 . 2]" 1
829 1 53 GLU HB3 1 54 PRO HD2 . . 4.490 2.858 2.712 2.964 . 0 0 "[ . 1 . 2]" 1
830 1 53 GLU HB2 1 56 SER HB2 . . 3.830 2.604 2.358 2.867 . 0 0 "[ . 1 . 2]" 1
831 1 53 GLU HB2 1 56 SER HG . . 4.130 2.742 2.679 2.857 . 0 0 "[ . 1 . 2]" 1
832 1 53 GLU HB2 1 56 SER HB3 . . 3.890 2.324 2.128 2.598 . 0 0 "[ . 1 . 2]" 1
833 1 42 THR HA 1 43 LEU H . . 3.050 2.374 2.221 2.515 . 0 0 "[ . 1 . 2]" 1
834 1 42 THR HA 1 82 THR HA . . 3.560 2.403 1.974 2.824 . 0 0 "[ . 1 . 2]" 1
835 1 42 THR HA 1 43 LEU HG . . 4.520 3.895 3.641 4.208 . 0 0 "[ . 1 . 2]" 1
836 1 42 THR HA 1 82 THR MG . . 3.090 2.087 1.886 2.519 . 0 0 "[ . 1 . 2]" 1
837 1 78 THR HA 1 86 ALA MB . . 4.470 3.482 3.065 3.790 . 0 0 "[ . 1 . 2]" 1
838 1 78 THR HA 1 78 THR MG . . 3.100 2.468 2.306 2.567 . 0 0 "[ . 1 . 2]" 1
839 1 98 LYS QD 1 100 VAL MG2 . . 4.330 3.490 2.210 4.338 0.008 19 0 "[ . 1 . 2]" 1
840 1 98 LYS HB2 1 98 LYS QD . . 3.580 2.891 2.289 3.324 . 0 0 "[ . 1 . 2]" 1
841 1 85 GLU HB3 1 86 ALA H . . 3.580 3.177 2.719 3.468 . 0 0 "[ . 1 . 2]" 1
842 1 47 PRO HA 1 48 LEU H . . 2.960 2.243 2.198 2.350 . 0 0 "[ . 1 . 2]" 1
843 1 84 GLU HB2 1 85 GLU H . . 4.060 3.284 2.976 3.540 . 0 0 "[ . 1 . 2]" 1
844 1 84 GLU H 1 84 GLU HB3 . . 3.540 3.087 2.791 3.310 . 0 0 "[ . 1 . 2]" 1
845 1 70 VAL HA 1 71 LEU H . . 3.010 2.236 2.182 2.384 . 0 0 "[ . 1 . 2]" 1
846 1 70 VAL HA 1 71 LEU HG . . 4.460 4.190 4.073 4.351 . 0 0 "[ . 1 . 2]" 1
847 1 70 VAL HA 1 70 VAL MG2 . . 2.900 2.234 2.132 2.338 . 0 0 "[ . 1 . 2]" 1
848 1 37 ILE HA 1 37 ILE HG13 . . 3.820 2.737 2.208 3.773 . 0 0 "[ . 1 . 2]" 1
849 1 22 CYS H 1 22 CYS HB2 . . 3.720 3.407 3.017 3.638 . 0 0 "[ . 1 . 2]" 1
850 1 22 CYS HB2 1 23 GLY H . . 3.840 3.890 3.489 4.193 0.353 17 0 "[ . 1 . 2]" 1
851 1 22 CYS H 1 22 CYS HB3 . . 3.470 3.180 2.492 3.877 0.407 17 0 "[ . 1 . 2]" 1
852 1 22 CYS HB3 1 23 GLY H . . 4.160 4.073 3.751 4.234 0.074 13 0 "[ . 1 . 2]" 1
853 1 37 ILE HA 1 37 ILE HG12 . . 4.130 3.064 2.530 3.790 . 0 0 "[ . 1 . 2]" 1
854 1 48 LEU QD 1 69 ARG HG3 . . 3.970 1.866 1.721 3.396 . 0 0 "[ . 1 . 2]" 1
855 1 46 PRO HA 1 78 THR HG1 . . 3.900 3.077 2.385 3.549 . 0 0 "[ . 1 . 2]" 1
856 1 46 PRO HA 1 47 PRO QD . . 3.060 1.870 1.860 1.886 . 0 0 "[ . 1 . 2]" 1
857 1 46 PRO HA 1 47 PRO HG3 . . 4.260 4.195 4.190 4.206 . 0 0 "[ . 1 . 2]" 1
858 1 12 VAL HA 1 13 HIS H . . 3.550 2.348 2.182 3.625 0.075 7 0 "[ . 1 . 2]" 1
859 1 12 VAL HA 1 12 VAL QG . . 3.110 2.213 2.039 2.386 . 0 0 "[ . 1 . 2]" 1
860 1 19 VAL HA 1 20 VAL H . . 2.810 2.231 2.182 2.410 . 0 0 "[ . 1 . 2]" 1
861 1 19 VAL HA 1 19 VAL MG2 . . 2.980 2.314 2.193 2.424 . 0 0 "[ . 1 . 2]" 1
862 1 60 ARG H 1 60 ARG HG2 . . 3.710 3.056 2.803 3.350 . 0 0 "[ . 1 . 2]" 1
863 1 57 PRO HA 1 60 ARG HG2 . . 4.470 4.274 3.865 4.478 0.008 13 0 "[ . 1 . 2]" 1
864 1 60 ARG H 1 60 ARG HG3 . . 3.890 2.814 2.578 2.986 . 0 0 "[ . 1 . 2]" 1
865 1 57 PRO HA 1 60 ARG HG3 . . 4.550 2.785 2.387 3.082 . 0 0 "[ . 1 . 2]" 1
866 1 60 ARG HA 1 60 ARG HG3 . . 3.580 3.340 3.213 3.478 . 0 0 "[ . 1 . 2]" 1
867 1 20 VAL HA 1 21 LEU H . . 3.030 2.210 2.182 2.241 . 0 0 "[ . 1 . 2]" 1
868 1 17 THR HA 1 18 GLU H . . 2.960 2.213 2.163 2.318 . 0 0 "[ . 1 . 2]" 1
869 1 40 THR HA 1 40 THR MG . . 3.010 2.585 2.339 3.228 0.218 3 0 "[ . 1 . 2]" 1
870 1 40 THR HA 1 82 THR MG . . 3.850 3.139 2.526 3.847 . 0 0 "[ . 1 . 2]" 1
871 1 100 VAL HA 1 101 LEU H . . 2.900 2.210 2.182 2.272 . 0 0 "[ . 1 . 2]" 1
872 1 21 LEU H 1 100 VAL HA . . 4.160 3.813 3.589 4.106 . 0 0 "[ . 1 . 2]" 1
873 1 11 ILE HA 1 12 VAL H . . 2.780 2.299 2.191 2.582 . 0 0 "[ . 1 . 2]" 1
874 1 11 ILE HA 1 11 ILE HG12 . . 4.180 3.307 2.693 4.150 . 0 0 "[ . 1 . 2]" 1
875 1 11 ILE HA 1 11 ILE HG13 . . 3.730 2.822 2.191 3.910 0.180 15 0 "[ . 1 . 2]" 1
876 1 11 ILE HA 1 11 ILE MD . . 3.980 3.491 1.913 4.079 0.099 15 0 "[ . 1 . 2]" 1
877 1 88 GLN HB3 1 89 LEU H . . 4.120 2.744 2.485 2.896 . 0 0 "[ . 1 . 2]" 1
878 1 91 ARG H 1 91 ARG HG2 . . 4.280 4.228 4.101 4.284 0.004 1 0 "[ . 1 . 2]" 1
879 1 52 ILE HG13 1 66 VAL QG . . 3.910 3.318 2.613 3.863 . 0 0 "[ . 1 . 2]" 1
880 1 49 VAL MG1 1 52 ILE HG13 . . 3.670 1.900 1.830 2.139 . 0 0 "[ . 1 . 2]" 1
881 1 52 ILE HA 1 52 ILE HG12 . . 3.790 2.487 2.273 2.605 . 0 0 "[ . 1 . 2]" 1
882 1 49 VAL MG1 1 52 ILE HG12 . . 3.910 2.649 1.936 3.097 . 0 0 "[ . 1 . 2]" 1
883 1 14 THR HA 1 15 GLU H . . 3.190 2.470 2.324 2.733 . 0 0 "[ . 1 . 2]" 1
884 1 71 LEU H 1 71 LEU HG . . 3.700 2.359 2.134 2.607 . 0 0 "[ . 1 . 2]" 1
885 1 73 ILE HA 1 74 ASN H . . 3.050 2.180 2.177 2.183 . 0 0 "[ . 1 . 2]" 1
886 1 73 ILE HA 1 101 LEU HA . . 3.780 2.743 2.459 2.986 . 0 0 "[ . 1 . 2]" 1
887 1 73 ILE HA 1 73 ILE HG13 . . 3.900 2.882 2.759 2.995 . 0 0 "[ . 1 . 2]" 1
888 1 25 PRO HG3 1 95 LEU HA . . 4.000 3.208 2.134 3.853 . 0 0 "[ . 1 . 2]" 1
889 1 46 PRO HG3 1 71 LEU MD2 . . 3.690 2.292 2.015 2.400 . 0 0 "[ . 1 . 2]" 1
890 1 46 PRO HG2 1 69 ARG HB3 . . 4.350 2.890 2.291 3.583 . 0 0 "[ . 1 . 2]" 1
891 1 46 PRO HG2 1 71 LEU MD2 . . 3.750 3.027 2.767 3.147 . 0 0 "[ . 1 . 2]" 1
892 1 25 PRO HG3 1 95 LEU MD2 . . 4.330 3.246 2.488 3.701 . 0 0 "[ . 1 . 2]" 1
893 1 47 PRO HA 1 48 LEU HG . . 4.650 3.423 3.144 4.751 0.101 17 0 "[ . 1 . 2]" 1
894 1 26 LEU HA 1 26 LEU HG . . 3.970 2.599 2.168 3.647 . 0 0 "[ . 1 . 2]" 1
895 1 73 ILE HA 1 73 ILE HG12 . . 4.070 2.576 2.507 2.681 . 0 0 "[ . 1 . 2]" 1
896 1 26 LEU H 1 26 LEU HG . . 3.860 3.682 3.410 3.905 0.045 13 0 "[ . 1 . 2]" 1
897 1 11 ILE HG13 1 11 ILE MG . . 3.630 2.973 2.382 3.236 . 0 0 "[ . 1 . 2]" 1
898 1 90 LEU HA 1 90 LEU HG . . 4.120 3.054 2.735 3.657 . 0 0 "[ . 1 . 2]" 1
899 1 82 THR HA 1 83 MET H . . 3.610 2.408 2.308 2.596 . 0 0 "[ . 1 . 2]" 1
900 1 43 LEU H 1 82 THR HA . . 3.950 3.176 2.129 3.557 . 0 0 "[ . 1 . 2]" 1
901 1 43 LEU HG 1 82 THR HA . . 3.820 2.493 2.253 2.733 . 0 0 "[ . 1 . 2]" 1
902 1 43 LEU QD 1 82 THR HA . . 4.350 3.270 3.090 3.469 . 0 0 "[ . 1 . 2]" 1
903 1 64 LEU H 1 64 LEU QD . . 4.020 3.558 3.247 3.710 . 0 0 "[ . 1 . 2]" 1
904 1 64 LEU HA 1 64 LEU QD . . 3.020 2.485 1.903 2.876 . 0 0 "[ . 1 . 2]" 1
905 1 58 ALA HA 1 64 LEU QD . . 3.630 2.752 2.334 3.205 . 0 0 "[ . 1 . 2]" 1
906 1 16 THR HA 1 17 THR H . . 3.080 2.258 2.190 2.405 . 0 0 "[ . 1 . 2]" 1
907 1 16 THR HA 1 105 PHE H . . 4.300 3.843 3.555 3.993 . 0 0 "[ . 1 . 2]" 1
908 1 16 THR HA 1 104 GLU HA . . 3.440 2.858 2.706 3.037 . 0 0 "[ . 1 . 2]" 1
909 1 71 LEU H 1 103 VAL HA . . 3.690 3.080 2.776 3.306 . 0 0 "[ . 1 . 2]" 1
910 1 103 VAL HA 1 104 GLU H . . 2.980 2.368 2.269 2.440 . 0 0 "[ . 1 . 2]" 1
911 1 70 VAL HA 1 103 VAL HA . . 3.470 3.061 2.740 3.282 . 0 0 "[ . 1 . 2]" 1
912 1 71 LEU HG 1 103 VAL HA . . 4.320 3.273 3.128 3.437 . 0 0 "[ . 1 . 2]" 1
913 1 103 VAL HA 1 103 VAL MG2 . . 3.320 2.612 2.463 2.683 . 0 0 "[ . 1 . 2]" 1
914 1 91 ARG HA 1 91 ARG HG3 . . 3.680 2.668 2.447 2.846 . 0 0 "[ . 1 . 2]" 1
915 1 91 ARG HA 1 91 ARG HG2 . . 3.500 2.280 2.142 2.459 . 0 0 "[ . 1 . 2]" 1
916 1 31 LEU MD1 1 32 GLN H . . 3.950 3.202 2.411 3.665 . 0 0 "[ . 1 . 2]" 1
917 1 31 LEU HA 1 31 LEU MD1 . . 3.660 3.514 3.286 3.678 0.018 9 0 "[ . 1 . 2]" 1
918 1 29 PHE HB3 1 31 LEU MD2 . . 3.910 2.615 1.930 3.013 . 0 0 "[ . 1 . 2]" 1
919 1 29 PHE HB2 1 31 LEU MD2 . . 3.850 2.712 1.977 3.135 . 0 0 "[ . 1 . 2]" 1
920 1 74 ASN HD22 1 99 VAL HA . . 4.050 2.981 2.444 3.431 . 0 0 "[ . 1 . 2]" 1
921 1 84 GLU HA 1 87 ASN H . . 3.940 3.288 3.085 3.601 . 0 0 "[ . 1 . 2]" 1
922 1 84 GLU HA 1 87 ASN HD21 . . 3.940 2.760 2.289 3.190 . 0 0 "[ . 1 . 2]" 1
923 1 84 GLU HA 1 87 ASN HD22 . . 4.680 4.384 3.985 4.693 0.013 12 0 "[ . 1 . 2]" 1
924 1 84 GLU HA 1 87 ASN HB2 . . 3.490 2.461 2.235 2.592 . 0 0 "[ . 1 . 2]" 1
925 1 84 GLU HA 1 87 ASN HB3 . . 4.080 4.025 3.830 4.099 0.019 16 0 "[ . 1 . 2]" 1
926 1 76 ILE HA 1 77 ALA H . . 2.790 2.185 2.177 2.198 . 0 0 "[ . 1 . 2]" 1
927 1 76 ILE HA 1 76 ILE HG13 . . 3.830 3.777 3.698 3.838 0.008 12 0 "[ . 1 . 2]" 1
928 1 76 ILE HA 1 76 ILE HG12 . . 3.680 2.861 2.626 2.960 . 0 0 "[ . 1 . 2]" 1
929 1 63 LEU H 1 63 LEU HG . . 4.090 3.411 2.405 4.198 0.108 18 0 "[ . 1 . 2]" 1
930 1 63 LEU HA 1 63 LEU HG . . 4.110 3.436 2.471 4.153 0.043 17 0 "[ . 1 . 2]" 1
931 1 99 VAL MG1 1 101 LEU HG . . 4.020 3.426 2.684 3.754 . 0 0 "[ . 1 . 2]" 1
932 1 21 LEU HG 1 99 VAL MG1 . . 4.720 3.543 2.958 4.649 . 0 0 "[ . 1 . 2]" 1
933 1 99 VAL HA 1 100 VAL MG2 . . 4.450 3.600 3.279 3.927 . 0 0 "[ . 1 . 2]" 1
934 1 59 GLU HA 1 59 GLU QG . . 3.080 2.826 2.364 3.082 0.002 13 0 "[ . 1 . 2]" 1
935 1 63 LEU H 1 63 LEU QD . . 3.920 3.201 2.338 3.540 . 0 0 "[ . 1 . 2]" 1
936 1 61 CYS HA 1 63 LEU H . . 4.650 4.101 4.047 4.166 . 0 0 "[ . 1 . 2]" 1
937 1 85 GLU HA 1 88 GLN H . . 3.930 3.396 3.068 3.645 . 0 0 "[ . 1 . 2]" 1
938 1 85 GLU HA 1 89 LEU H . . 4.750 3.866 3.685 4.230 . 0 0 "[ . 1 . 2]" 1
939 1 85 GLU HA 1 85 GLU HG3 . . 3.200 3.375 2.779 3.627 0.427 16 0 "[ . 1 . 2]" 1
940 1 61 CYS QB 1 63 LEU QD . . 4.270 3.332 2.191 3.897 . 0 0 "[ . 1 . 2]" 1
941 1 101 LEU H 1 101 LEU QD . . 3.970 2.395 1.833 3.563 . 0 0 "[ . 1 . 2]" 1
942 1 101 LEU HB2 1 101 LEU QD . . 3.140 2.208 2.151 2.519 . 0 0 "[ . 1 . 2]" 1
943 1 99 VAL MG1 1 101 LEU QD . . 3.460 2.197 1.741 2.830 . 0 0 "[ . 1 . 2]" 1
944 1 52 ILE HA 1 53 GLU H . . 2.950 2.263 2.182 2.306 . 0 0 "[ . 1 . 2]" 1
945 1 52 ILE HA 1 53 GLU HB2 . . 4.540 4.309 4.231 4.355 . 0 0 "[ . 1 . 2]" 1
946 1 52 ILE HA 1 52 ILE HG13 . . 3.800 2.684 2.437 3.040 . 0 0 "[ . 1 . 2]" 1
947 1 51 PHE HA 1 52 ILE H . . 2.860 2.514 2.399 2.552 . 0 0 "[ . 1 . 2]" 1
948 1 51 PHE HA 1 51 PHE QD . . 3.730 3.049 2.836 3.198 . 0 0 "[ . 1 . 2]" 1
949 1 21 LEU QD 1 29 PHE QD . . 4.220 3.483 2.300 3.877 . 0 0 "[ . 1 . 2]" 1
950 1 21 LEU HA 1 21 LEU QD . . 3.050 2.031 1.890 2.381 . 0 0 "[ . 1 . 2]" 1
951 1 21 LEU QD 1 29 PHE HB3 . . 3.520 2.716 2.467 2.852 . 0 0 "[ . 1 . 2]" 1
952 1 21 LEU QD 1 29 PHE HB2 . . 4.010 3.918 3.738 4.008 . 0 0 "[ . 1 . 2]" 1
953 1 21 LEU QD 1 57 PRO HB2 . . 3.990 2.430 1.866 2.870 . 0 0 "[ . 1 . 2]" 1
954 1 21 LEU QD 1 99 VAL MG1 . . 3.500 2.895 2.455 3.329 . 0 0 "[ . 1 . 2]" 1
955 1 29 PHE HA 1 29 PHE QD . . 3.480 2.153 1.981 2.388 . 0 0 "[ . 1 . 2]" 1
956 1 29 PHE HA 1 57 PRO HD2 . . 4.120 3.664 3.488 3.793 . 0 0 "[ . 1 . 2]" 1
957 1 29 PHE HA 1 57 PRO HG3 . . 3.860 2.575 2.131 2.822 . 0 0 "[ . 1 . 2]" 1
958 1 29 PHE HA 1 57 PRO HG2 . . 3.880 2.389 1.998 2.575 . 0 0 "[ . 1 . 2]" 1
959 1 89 LEU HA 1 89 LEU MD1 . . 4.450 3.841 3.778 3.869 . 0 0 "[ . 1 . 2]" 1
960 1 89 LEU HB2 1 89 LEU MD1 . . 3.100 2.244 2.094 2.402 . 0 0 "[ . 1 . 2]" 1
961 1 73 ILE HB 1 89 LEU MD1 . . 3.600 2.624 1.985 3.119 . 0 0 "[ . 1 . 2]" 1
962 1 86 ALA MB 1 89 LEU MD1 . . 4.010 3.550 3.346 3.934 . 0 0 "[ . 1 . 2]" 1
963 1 89 LEU HB3 1 89 LEU MD1 . . 3.430 2.500 2.333 2.592 . 0 0 "[ . 1 . 2]" 1
964 1 88 GLN HA 1 92 ASP H . . 4.550 4.236 4.055 4.391 . 0 0 "[ . 1 . 2]" 1
965 1 88 GLN HA 1 91 ARG H . . 3.800 3.110 2.894 3.355 . 0 0 "[ . 1 . 2]" 1
966 1 88 GLN HA 1 88 GLN QG . . 3.590 2.690 2.616 3.198 . 0 0 "[ . 1 . 2]" 1
967 1 88 GLN HA 1 91 ARG HB2 . . 3.510 2.271 2.104 2.444 . 0 0 "[ . 1 . 2]" 1
968 1 88 GLN HA 1 91 ARG HB3 . . 3.620 3.612 3.482 3.636 0.016 18 0 "[ . 1 . 2]" 1
969 1 88 GLN HA 1 91 ARG HG3 . . 4.270 4.041 3.736 4.277 0.007 9 0 "[ . 1 . 2]" 1
970 1 43 LEU H 1 43 LEU QD . . 4.110 3.496 3.148 3.620 . 0 0 "[ . 1 . 2]" 1
971 1 43 LEU QD 1 86 ALA H . . 4.400 3.714 3.459 4.003 . 0 0 "[ . 1 . 2]" 1
972 1 43 LEU QD 1 83 MET HA . . 3.400 1.924 1.788 2.150 . 0 0 "[ . 1 . 2]" 1
973 1 43 LEU QD 1 46 PRO HA . . 4.090 3.836 3.606 4.026 . 0 0 "[ . 1 . 2]" 1
974 1 43 LEU HA 1 43 LEU QD . . 3.020 1.977 1.903 2.119 . 0 0 "[ . 1 . 2]" 1
975 1 43 LEU QD 1 47 PRO QD . . 3.420 2.582 2.521 2.621 . 0 0 "[ . 1 . 2]" 1
976 1 43 LEU QD 1 79 GLU HA . . 4.140 3.923 3.711 4.006 . 0 0 "[ . 1 . 2]" 1
977 1 43 LEU QD 1 78 THR HB . . 3.560 2.733 2.591 2.868 . 0 0 "[ . 1 . 2]" 1
978 1 43 LEU QD 1 47 PRO HB3 . . 3.750 3.113 2.880 3.272 . 0 0 "[ . 1 . 2]" 1
979 1 43 LEU HB2 1 43 LEU QD . . 3.180 2.324 2.233 2.406 . 0 0 "[ . 1 . 2]" 1
980 1 43 LEU HB3 1 43 LEU QD . . 3.240 2.088 2.053 2.145 . 0 0 "[ . 1 . 2]" 1
981 1 71 LEU H 1 71 LEU MD1 . . 3.960 3.809 3.679 3.967 0.007 14 0 "[ . 1 . 2]" 1
982 1 71 LEU MD1 1 104 GLU H . . 4.230 3.949 3.733 4.124 . 0 0 "[ . 1 . 2]" 1
983 1 71 LEU MD1 1 103 VAL HA . . 4.310 4.320 4.279 4.345 0.035 17 0 "[ . 1 . 2]" 1
984 1 71 LEU MD1 1 104 GLU HA . . 4.230 3.102 2.801 3.367 . 0 0 "[ . 1 . 2]" 1
985 1 71 LEU HA 1 71 LEU MD1 . . 3.950 3.764 3.710 3.813 . 0 0 "[ . 1 . 2]" 1
986 1 16 THR HB 1 71 LEU MD1 . . 4.330 3.983 3.757 4.281 . 0 0 "[ . 1 . 2]" 1
987 1 71 LEU MD1 1 102 GLU HG2 . . 3.830 2.631 2.110 2.839 . 0 0 "[ . 1 . 2]" 1
988 1 71 LEU MD1 1 102 GLU HG3 . . 3.490 3.463 3.125 3.830 0.340 12 0 "[ . 1 . 2]" 1
989 1 71 LEU MD1 1 104 GLU HB2 . . 3.280 1.979 1.880 2.112 . 0 0 "[ . 1 . 2]" 1
990 1 60 ARG HA 1 60 ARG HG2 . . 3.240 2.139 2.060 2.191 . 0 0 "[ . 1 . 2]" 1
991 1 43 LEU QD 1 86 ALA MB . . 3.680 2.675 2.389 2.935 . 0 0 "[ . 1 . 2]" 1
992 1 48 LEU H 1 48 LEU QD . . 4.170 2.683 2.138 2.987 . 0 0 "[ . 1 . 2]" 1
993 1 48 LEU QD 1 67 GLY HA2 . . 3.820 2.960 1.771 3.304 . 0 0 "[ . 1 . 2]" 1
994 1 33 LEU H 1 33 LEU MD1 . . 4.430 3.899 3.744 4.041 . 0 0 "[ . 1 . 2]" 1
995 1 33 LEU HA 1 33 LEU MD1 . . 4.360 3.825 3.773 3.907 . 0 0 "[ . 1 . 2]" 1
996 1 33 LEU MD1 1 47 PRO HB3 . . 4.130 4.111 4.018 4.152 0.022 19 0 "[ . 1 . 2]" 1
997 1 33 LEU HB2 1 33 LEU MD1 . . 3.020 2.369 2.278 2.461 . 0 0 "[ . 1 . 2]" 1
998 1 95 LEU H 1 95 LEU MD1 . . 3.820 3.512 3.343 3.740 . 0 0 "[ . 1 . 2]" 1
999 1 92 ASP HA 1 95 LEU MD1 . . 3.300 2.153 1.969 2.428 . 0 0 "[ . 1 . 2]" 1
1000 1 95 LEU HA 1 95 LEU MD1 . . 4.120 3.895 3.779 3.950 . 0 0 "[ . 1 . 2]" 1
1001 1 95 LEU HB2 1 95 LEU MD1 . . 3.130 2.289 2.093 2.486 . 0 0 "[ . 1 . 2]" 1
1002 1 95 LEU HB3 1 95 LEU MD1 . . 3.140 2.404 2.216 2.563 . 0 0 "[ . 1 . 2]" 1
1003 1 89 LEU HA 1 92 ASP H . . 4.250 3.701 3.273 3.874 . 0 0 "[ . 1 . 2]" 1
1004 1 89 LEU HA 1 92 ASP HB2 . . 3.640 3.777 3.119 4.089 0.449 17 0 "[ . 1 . 2]" 1
1005 1 89 LEU HA 1 89 LEU HG . . 3.730 2.727 2.657 2.839 . 0 0 "[ . 1 . 2]" 1
1006 1 90 LEU H 1 90 LEU QD . . 4.110 3.110 2.003 3.599 . 0 0 "[ . 1 . 2]" 1
1007 1 29 PHE QD 1 90 LEU QD . . 3.840 2.143 1.877 2.677 . 0 0 "[ . 1 . 2]" 1
1008 1 87 ASN HA 1 90 LEU QD . . 3.560 3.461 3.192 3.542 . 0 0 "[ . 1 . 2]" 1
1009 1 90 LEU HA 1 90 LEU QD . . 3.060 1.926 1.885 1.985 . 0 0 "[ . 1 . 2]" 1
1010 1 90 LEU HB2 1 90 LEU QD . . 3.160 2.378 2.309 2.492 . 0 0 "[ . 1 . 2]" 1
1011 1 64 LEU QD 1 68 ASP QB . . 4.360 2.904 2.134 3.375 . 0 0 "[ . 1 . 2]" 1
1012 1 44 SER HA 1 45 SER H . . 3.620 3.512 3.472 3.537 . 0 0 "[ . 1 . 2]" 1
1013 1 89 LEU HA 1 93 ALA H . . 4.720 4.044 3.705 4.236 . 0 0 "[ . 1 . 2]" 1
1014 1 90 LEU HA 1 93 ALA H . . 4.030 3.533 3.350 3.707 . 0 0 "[ . 1 . 2]" 1
1015 1 29 PHE QE 1 90 LEU HA . . 4.550 3.384 2.870 3.827 . 0 0 "[ . 1 . 2]" 1
1016 1 90 LEU HA 1 93 ALA MB . . 3.290 2.373 1.994 2.614 . 0 0 "[ . 1 . 2]" 1
1017 1 73 ILE MG 1 90 LEU HA . . 3.740 3.148 2.915 3.306 . 0 0 "[ . 1 . 2]" 1
1018 1 79 GLU HA 1 80 ASP H . . 3.420 3.453 3.412 3.557 0.137 12 0 "[ . 1 . 2]" 1
1019 1 79 GLU HA 1 79 GLU HG2 . . 3.190 2.548 2.368 3.582 0.392 12 0 "[ . 1 . 2]" 1
1020 1 43 LEU HB3 1 79 GLU HA . . 4.120 3.207 2.853 3.628 . 0 0 "[ . 1 . 2]" 1
1021 1 105 PHE QE 1 107 SER HA . . 4.280 3.865 3.384 4.298 0.018 11 0 "[ . 1 . 2]" 1
1022 1 105 PHE QD 1 107 SER HA . . 4.430 3.239 3.040 3.384 . 0 0 "[ . 1 . 2]" 1
1023 1 48 LEU QD 1 49 VAL H . . 4.040 3.725 3.381 3.847 . 0 0 "[ . 1 . 2]" 1
1024 1 48 LEU QD 1 70 VAL H . . 4.520 4.183 2.970 4.435 . 0 0 "[ . 1 . 2]" 1
1025 1 48 LEU HA 1 48 LEU QD . . 3.140 2.705 1.933 2.962 . 0 0 "[ . 1 . 2]" 1
1026 1 48 LEU QD 1 69 ARG HA . . 3.480 2.613 1.888 2.925 . 0 0 "[ . 1 . 2]" 1
1027 1 48 LEU QD 1 69 ARG HD3 . . 3.650 3.215 1.828 3.870 0.220 14 0 "[ . 1 . 2]" 1
1028 1 48 LEU QD 1 69 ARG HD2 . . 3.630 2.597 1.902 3.385 . 0 0 "[ . 1 . 2]" 1
1029 1 48 LEU QD 1 69 ARG HG2 . . 2.870 2.672 1.986 3.136 0.266 19 0 "[ . 1 . 2]" 1
1030 1 74 ASN H 1 101 LEU QD . . 4.320 3.288 2.819 3.608 . 0 0 "[ . 1 . 2]" 1
1031 1 101 LEU QD 1 102 GLU H . . 4.020 3.725 3.046 3.859 . 0 0 "[ . 1 . 2]" 1
1032 1 101 LEU HA 1 101 LEU QD . . 3.090 2.220 1.980 2.337 . 0 0 "[ . 1 . 2]" 1
1033 1 73 ILE HA 1 101 LEU QD . . 3.390 2.778 2.288 3.283 . 0 0 "[ . 1 . 2]" 1
1034 1 26 LEU H 1 26 LEU MD1 . . 4.410 3.879 3.276 4.280 . 0 0 "[ . 1 . 2]" 1
1035 1 26 LEU HA 1 26 LEU MD1 . . 3.810 3.528 2.258 3.780 . 0 0 "[ . 1 . 2]" 1
1036 1 26 LEU HB2 1 26 LEU MD1 . . 3.290 2.320 1.968 3.188 . 0 0 "[ . 1 . 2]" 1
1037 1 72 SER HA 1 73 ILE H . . 3.020 2.537 2.426 2.598 . 0 0 "[ . 1 . 2]" 1
1038 1 72 SER HA 1 73 ILE HG13 . . 4.740 3.382 3.147 3.590 . 0 0 "[ . 1 . 2]" 1
1039 1 72 SER HA 1 73 ILE MD . . 4.590 4.569 4.404 4.636 0.046 18 0 "[ . 1 . 2]" 1
1040 1 22 CYS HA 1 99 VAL H . . 4.200 4.099 3.872 4.229 0.029 18 0 "[ . 1 . 2]" 1
1041 1 22 CYS HA 1 23 GLY H . . 3.040 2.281 2.220 2.393 . 0 0 "[ . 1 . 2]" 1
1042 1 22 CYS HA 1 29 PHE QE . . 4.020 2.366 1.994 2.816 . 0 0 "[ . 1 . 2]" 1
1043 1 22 CYS HA 1 98 LYS HA . . 3.220 2.535 2.297 2.723 . 0 0 "[ . 1 . 2]" 1
1044 1 97 HIS HA 1 97 HIS HD2 . . 4.360 3.190 2.566 3.895 . 0 0 "[ . 1 . 2]" 1
1045 1 96 ALA H 1 97 HIS HA . . 4.630 4.371 4.228 4.560 . 0 0 "[ . 1 . 2]" 1
1046 1 25 PRO HB2 1 95 LEU HA . . 4.100 3.676 3.394 4.001 . 0 0 "[ . 1 . 2]" 1
1047 1 95 LEU HA 1 95 LEU HG . . 3.400 3.169 3.050 3.328 . 0 0 "[ . 1 . 2]" 1
1048 1 94 ALA MB 1 95 LEU HA . . 4.700 3.817 3.717 3.888 . 0 0 "[ . 1 . 2]" 1
1049 1 83 MET HA 1 86 ALA H . . 3.880 3.610 3.278 3.744 . 0 0 "[ . 1 . 2]" 1
1050 1 92 ASP HA 1 95 LEU H . . 4.070 3.271 3.092 3.378 . 0 0 "[ . 1 . 2]" 1
1051 1 92 ASP HA 1 95 LEU HB2 . . 3.960 2.954 2.643 3.152 . 0 0 "[ . 1 . 2]" 1
1052 1 92 ASP HA 1 95 LEU HG . . 3.880 2.744 2.518 2.990 . 0 0 "[ . 1 . 2]" 1
1053 1 29 PHE QE 1 90 LEU QD . . 4.240 2.413 1.969 3.216 . 0 0 "[ . 1 . 2]" 1
1054 1 21 LEU QD 1 61 CYS HA . . 4.230 4.172 4.020 4.245 0.015 7 0 "[ . 1 . 2]" 1
1055 1 21 LEU H 1 21 LEU QD . . 4.420 3.135 2.650 3.397 . 0 0 "[ . 1 . 2]" 1
1056 1 21 LEU QD 1 22 CYS H . . 3.940 3.415 2.982 3.680 . 0 0 "[ . 1 . 2]" 1
1057 1 21 LEU QD 1 61 CYS QB . . 3.510 2.541 2.269 3.175 . 0 0 "[ . 1 . 2]" 1
1058 1 21 LEU QD 1 57 PRO HB3 . . 4.100 3.682 3.177 3.990 . 0 0 "[ . 1 . 2]" 1
1059 1 21 LEU QD 1 57 PRO HA . . 4.550 3.670 3.200 3.998 . 0 0 "[ . 1 . 2]" 1
1060 1 33 LEU MD2 1 34 GLN H . . 3.730 3.101 2.608 3.480 . 0 0 "[ . 1 . 2]" 1
1061 1 33 LEU HA 1 33 LEU MD2 . . 3.110 2.007 1.916 2.164 . 0 0 "[ . 1 . 2]" 1
1062 1 33 LEU MD2 1 49 VAL HA . . 3.240 2.945 2.624 3.170 . 0 0 "[ . 1 . 2]" 1
1063 1 33 LEU HB2 1 33 LEU MD2 . . 3.340 3.216 3.204 3.222 . 0 0 "[ . 1 . 2]" 1
1064 1 33 LEU HB3 1 33 LEU MD2 . . 3.510 2.385 2.316 2.469 . 0 0 "[ . 1 . 2]" 1
1065 1 38 PHE HA 1 38 PHE QD . . 3.710 2.981 2.675 3.156 . 0 0 "[ . 1 . 2]" 1
1066 1 56 SER HA 1 57 PRO HD3 . . 3.170 2.319 2.277 2.343 . 0 0 "[ . 1 . 2]" 1
1067 1 43 LEU QD 1 44 SER H . . 4.290 3.329 3.133 3.581 . 0 0 "[ . 1 . 2]" 1
1068 1 36 GLY H 1 43 LEU QD . . 4.130 2.300 2.008 3.417 . 0 0 "[ . 1 . 2]" 1
1069 1 35 GLY HA2 1 43 LEU QD . . 3.840 3.633 3.352 3.728 . 0 0 "[ . 1 . 2]" 1
1070 1 36 GLY HA2 1 43 LEU QD . . 4.210 4.118 3.410 4.173 . 0 0 "[ . 1 . 2]" 1
1071 1 35 GLY HA3 1 43 LEU QD . . 3.600 2.694 2.442 2.827 . 0 0 "[ . 1 . 2]" 1
1072 1 43 LEU QD 1 83 MET HG2 . . 4.070 2.784 2.118 3.759 . 0 0 "[ . 1 . 2]" 1
1073 1 43 LEU QD 1 83 MET HB3 . . 4.180 3.766 3.667 3.864 . 0 0 "[ . 1 . 2]" 1
1074 1 43 LEU QD 1 83 MET HB2 . . 3.530 2.611 2.529 2.688 . 0 0 "[ . 1 . 2]" 1
1075 1 26 LEU HA 1 26 LEU MD2 . . 3.020 2.331 2.015 2.932 . 0 0 "[ . 1 . 2]" 1
1076 1 41 GLU HA 1 42 THR H . . 3.240 2.347 2.202 3.518 0.278 12 0 "[ . 1 . 2]" 1
1077 1 46 PRO HB3 1 71 LEU HA . . 3.960 2.317 2.153 2.447 . 0 0 "[ . 1 . 2]" 1
1078 1 46 PRO HG3 1 71 LEU HA . . 4.620 3.566 2.917 3.796 . 0 0 "[ . 1 . 2]" 1
1079 1 98 LYS HA 1 99 VAL H . . 2.980 2.319 2.241 2.449 . 0 0 "[ . 1 . 2]" 1
1080 1 29 PHE QE 1 98 LYS HA . . 3.810 3.363 3.011 3.782 . 0 0 "[ . 1 . 2]" 1
1081 1 98 LYS HA 1 98 LYS HG2 . . 3.890 2.434 2.203 3.004 . 0 0 "[ . 1 . 2]" 1
1082 1 41 GLU HA 1 41 GLU QG . . 3.500 2.632 2.009 3.350 . 0 0 "[ . 1 . 2]" 1
1083 1 89 LEU H 1 89 LEU MD2 . . 3.890 3.777 3.623 3.900 0.010 18 0 "[ . 1 . 2]" 1
1084 1 89 LEU HA 1 89 LEU MD2 . . 2.890 2.077 1.967 2.235 . 0 0 "[ . 1 . 2]" 1
1085 1 89 LEU HB2 1 89 LEU MD2 . . 3.310 3.204 3.191 3.216 . 0 0 "[ . 1 . 2]" 1
1086 1 95 LEU H 1 95 LEU MD2 . . 3.690 3.141 2.751 3.482 . 0 0 "[ . 1 . 2]" 1
1087 1 92 ASP HA 1 95 LEU MD2 . . 4.340 4.230 4.077 4.357 0.017 18 0 "[ . 1 . 2]" 1
1088 1 95 LEU HA 1 95 LEU MD2 . . 2.860 2.176 1.992 2.353 . 0 0 "[ . 1 . 2]" 1
1089 1 25 PRO HB2 1 95 LEU MD2 . . 3.850 2.161 1.844 2.346 . 0 0 "[ . 1 . 2]" 1
1090 1 95 LEU HB2 1 95 LEU MD2 . . 3.610 3.207 3.189 3.221 . 0 0 "[ . 1 . 2]" 1
1091 1 95 LEU HB3 1 95 LEU MD2 . . 3.160 2.325 2.222 2.472 . 0 0 "[ . 1 . 2]" 1
1092 1 74 ASN H 1 99 VAL MG2 . . 4.110 3.559 2.884 4.126 0.016 16 0 "[ . 1 . 2]" 1
1093 1 99 VAL MG2 1 100 VAL H . . 3.340 2.113 1.885 2.473 . 0 0 "[ . 1 . 2]" 1
1094 1 74 ASN HD22 1 99 VAL MG2 . . 4.170 2.724 1.728 3.419 . 0 0 "[ . 1 . 2]" 1
1095 1 99 VAL HA 1 99 VAL MG2 . . 3.190 2.234 2.108 2.390 . 0 0 "[ . 1 . 2]" 1
1096 1 73 ILE HA 1 99 VAL MG2 . . 4.420 4.135 3.651 4.416 . 0 0 "[ . 1 . 2]" 1
1097 1 19 VAL H 1 102 GLU HA . . 4.180 3.865 3.659 4.126 . 0 0 "[ . 1 . 2]" 1
1098 1 102 GLU HA 1 103 VAL H . . 2.890 2.204 2.202 2.206 . 0 0 "[ . 1 . 2]" 1
1099 1 69 ARG HA 1 70 VAL H . . 3.020 2.372 2.227 2.588 . 0 0 "[ . 1 . 2]" 1
1100 1 69 ARG HA 1 69 ARG HG2 . . 3.600 3.305 2.689 3.571 . 0 0 "[ . 1 . 2]" 1
1101 1 69 ARG HA 1 70 VAL MG2 . . 4.100 3.691 3.405 4.003 . 0 0 "[ . 1 . 2]" 1
1102 1 87 ASN HA 1 90 LEU H . . 3.940 3.414 3.217 3.625 . 0 0 "[ . 1 . 2]" 1
1103 1 87 ASN HA 1 90 LEU HB2 . . 3.560 2.756 2.615 2.878 . 0 0 "[ . 1 . 2]" 1
1104 1 87 ASN HA 1 90 LEU HG . . 4.380 4.154 3.627 4.389 0.009 17 0 "[ . 1 . 2]" 1
1105 1 33 LEU MD1 1 87 ASN HA . . 4.180 3.105 2.764 3.648 . 0 0 "[ . 1 . 2]" 1
1106 1 73 ILE H 1 78 THR MG . . 4.060 3.226 3.035 3.497 . 0 0 "[ . 1 . 2]" 1
1107 1 78 THR MG 1 79 GLU H . . 4.260 3.876 3.688 4.085 . 0 0 "[ . 1 . 2]" 1
1108 1 78 THR H 1 78 THR MG . . 3.270 2.069 1.885 2.341 . 0 0 "[ . 1 . 2]" 1
1109 1 72 SER HA 1 78 THR MG . . 3.440 2.279 1.990 2.647 . 0 0 "[ . 1 . 2]" 1
1110 1 78 THR HG1 1 78 THR MG . . 3.000 2.082 1.950 2.478 . 0 0 "[ . 1 . 2]" 1
1111 1 77 ALA HA 1 78 THR MG . . 4.100 3.463 3.314 3.760 . 0 0 "[ . 1 . 2]" 1
1112 1 47 PRO QD 1 78 THR MG . . 3.820 2.791 2.441 2.929 . 0 0 "[ . 1 . 2]" 1
1113 1 71 LEU HA 1 78 THR MG . . 4.090 3.921 3.674 4.091 0.001 11 0 "[ . 1 . 2]" 1
1114 1 47 PRO HG2 1 78 THR MG . . 3.900 3.126 2.915 3.356 . 0 0 "[ . 1 . 2]" 1
1115 1 47 PRO HG3 1 78 THR MG . . 3.680 3.539 3.118 3.686 0.006 8 0 "[ . 1 . 2]" 1
1116 1 78 THR MG 1 86 ALA MB . . 3.390 2.576 2.012 3.008 . 0 0 "[ . 1 . 2]" 1
1117 1 73 ILE HG13 1 78 THR MG . . 3.400 2.286 2.011 2.534 . 0 0 "[ . 1 . 2]" 1
1118 1 73 ILE HG12 1 78 THR MG . . 3.780 3.545 3.243 3.784 0.004 16 0 "[ . 1 . 2]" 1
1119 1 71 LEU HA 1 71 LEU MD2 . . 3.000 2.021 1.943 2.086 . 0 0 "[ . 1 . 2]" 1
1120 1 46 PRO HB3 1 71 LEU MD2 . . 3.500 2.595 2.380 2.879 . 0 0 "[ . 1 . 2]" 1
1121 1 71 LEU HB3 1 71 LEU MD2 . . 3.180 2.505 2.419 2.636 . 0 0 "[ . 1 . 2]" 1
1122 1 55 ASP HA 1 60 ARG HG2 . . 4.370 4.030 3.699 4.376 0.006 8 0 "[ . 1 . 2]" 1
1123 1 10 GLN HA 1 11 ILE H . . 3.140 2.370 2.201 2.581 . 0 0 "[ . 1 . 2]" 1
1124 1 10 GLN HA 1 10 GLN QG . . 4.020 2.391 1.964 3.469 . 0 0 "[ . 1 . 2]" 1
1125 1 43 LEU HA 1 44 SER H . . 3.320 2.181 2.176 2.190 . 0 0 "[ . 1 . 2]" 1
1126 1 43 LEU HA 1 43 LEU HG . . 3.740 2.942 2.827 3.002 . 0 0 "[ . 1 . 2]" 1
1127 1 70 VAL MG1 1 71 LEU H . . 3.750 3.259 2.791 3.704 . 0 0 "[ . 1 . 2]" 1
1128 1 70 VAL H 1 70 VAL MG1 . . 4.210 3.743 3.643 3.843 . 0 0 "[ . 1 . 2]" 1
1129 1 70 VAL HA 1 70 VAL MG1 . . 3.220 2.482 2.399 2.560 . 0 0 "[ . 1 . 2]" 1
1130 1 86 ALA HA 1 89 LEU H . . 3.810 3.481 3.327 3.725 . 0 0 "[ . 1 . 2]" 1
1131 1 86 ALA HA 1 89 LEU HB2 . . 3.680 2.658 2.426 2.824 . 0 0 "[ . 1 . 2]" 1
1132 1 86 ALA HA 1 89 LEU HG . . 3.860 3.803 3.673 3.878 0.018 2 0 "[ . 1 . 2]" 1
1133 1 86 ALA HA 1 89 LEU HB3 . . 4.270 4.212 4.001 4.315 0.045 14 0 "[ . 1 . 2]" 1
1134 1 86 ALA HA 1 89 LEU MD1 . . 3.330 2.245 1.974 2.735 . 0 0 "[ . 1 . 2]" 1
1135 1 73 ILE MD 1 86 ALA HA . . 3.520 2.646 2.062 3.221 . 0 0 "[ . 1 . 2]" 1
1136 1 66 VAL H 1 66 VAL QG . . 2.960 2.151 1.835 2.351 . 0 0 "[ . 1 . 2]" 1
1137 1 51 PHE H 1 66 VAL QG . . 4.220 3.712 3.334 3.946 . 0 0 "[ . 1 . 2]" 1
1138 1 52 ILE H 1 66 VAL QG . . 3.650 3.434 3.141 3.675 0.025 19 0 "[ . 1 . 2]" 1
1139 1 50 CYS HA 1 66 VAL QG . . 4.180 3.311 2.452 3.664 . 0 0 "[ . 1 . 2]" 1
1140 1 66 VAL HA 1 66 VAL QG . . 3.070 2.137 2.055 2.520 . 0 0 "[ . 1 . 2]" 1
1141 1 63 LEU HA 1 63 LEU QD . . 2.870 2.646 1.955 2.877 0.007 19 0 "[ . 1 . 2]" 1
1142 1 49 VAL MG1 1 50 CYS H . . 3.660 3.366 2.531 3.673 0.013 17 0 "[ . 1 . 2]" 1
1143 1 49 VAL MG1 1 67 GLY H . . 4.010 3.573 3.375 3.782 . 0 0 "[ . 1 . 2]" 1
1144 1 32 GLN H 1 49 VAL MG1 . . 4.150 3.050 2.583 3.276 . 0 0 "[ . 1 . 2]" 1
1145 1 49 VAL MG1 1 68 ASP H . . 4.460 4.191 3.620 4.394 . 0 0 "[ . 1 . 2]" 1
1146 1 49 VAL MG1 1 51 PHE H . . 3.470 2.890 2.269 3.095 . 0 0 "[ . 1 . 2]" 1
1147 1 49 VAL MG1 1 66 VAL HA . . 3.220 2.004 1.895 2.247 . 0 0 "[ . 1 . 2]" 1
1148 1 18 GLU HA 1 19 VAL H . . 2.880 2.205 2.202 2.233 . 0 0 "[ . 1 . 2]" 1
1149 1 18 GLU HA 1 103 VAL H . . 4.180 4.179 4.100 4.207 0.027 13 0 "[ . 1 . 2]" 1
1150 1 105 PHE HA 1 106 ASP H . . 3.040 2.529 2.411 2.695 . 0 0 "[ . 1 . 2]" 1
1151 1 105 PHE HA 1 105 PHE QD . . 3.730 3.722 3.711 3.754 0.024 1 0 "[ . 1 . 2]" 1
1152 1 15 GLU HA 1 16 THR H . . 2.810 2.492 2.334 2.778 . 0 0 "[ . 1 . 2]" 1
1153 1 15 GLU HA 1 15 GLU QG . . 3.420 2.313 2.068 2.979 . 0 0 "[ . 1 . 2]" 1
1154 1 15 GLU HA 1 16 THR MG . . 4.280 3.685 3.397 3.877 . 0 0 "[ . 1 . 2]" 1
1155 1 16 THR MG 1 105 PHE H . . 4.590 3.839 3.367 4.401 . 0 0 "[ . 1 . 2]" 1
1156 1 29 PHE QE 1 94 ALA HA . . 3.760 3.050 2.664 3.292 . 0 0 "[ . 1 . 2]" 1
1157 1 29 PHE HZ 1 94 ALA HA . . 3.220 2.664 2.375 2.915 . 0 0 "[ . 1 . 2]" 1
1158 1 93 ALA MB 1 94 ALA HA . . 4.520 3.805 3.727 3.887 . 0 0 "[ . 1 . 2]" 1
1159 1 42 THR MG 1 43 LEU H . . 3.680 2.098 1.810 2.646 . 0 0 "[ . 1 . 2]" 1
1160 1 42 THR H 1 42 THR MG . . 4.050 3.675 3.585 3.919 . 0 0 "[ . 1 . 2]" 1
1161 1 42 THR MG 1 81 GLY HA2 . . 4.000 3.427 2.311 3.974 . 0 0 "[ . 1 . 2]" 1
1162 1 42 THR MG 1 80 ASP HA . . 3.510 3.400 2.998 3.531 0.021 12 0 "[ . 1 . 2]" 1
1163 1 42 THR HA 1 42 THR MG . . 3.190 2.363 2.123 2.483 . 0 0 "[ . 1 . 2]" 1
1164 1 16 THR MG 1 17 THR H . . 3.800 3.745 3.630 3.817 0.017 16 0 "[ . 1 . 2]" 1
1165 1 16 THR H 1 16 THR MG . . 3.610 3.301 3.184 3.391 . 0 0 "[ . 1 . 2]" 1
1166 1 16 THR HA 1 16 THR MG . . 3.300 2.247 2.168 2.355 . 0 0 "[ . 1 . 2]" 1
1167 1 16 THR MG 1 104 GLU HA . . 3.610 2.605 2.015 3.175 . 0 0 "[ . 1 . 2]" 1
1168 1 16 THR MG 1 102 GLU HG2 . . 3.560 2.935 2.650 3.104 . 0 0 "[ . 1 . 2]" 1
1169 1 21 LEU QD 1 58 ALA HA . . 3.200 1.814 1.673 2.219 . 0 0 "[ . 1 . 2]" 1
1170 1 40 THR H 1 40 THR MG . . 3.870 2.103 1.867 2.351 . 0 0 "[ . 1 . 2]" 1
1171 1 14 THR MG 1 105 PHE H . . 4.460 2.563 2.161 3.639 . 0 0 "[ . 1 . 2]" 1
1172 1 14 THR MG 1 15 GLU H . . 4.020 2.085 1.805 3.099 . 0 0 "[ . 1 . 2]" 1
1173 1 14 THR H 1 14 THR MG . . 4.050 3.740 2.954 3.967 . 0 0 "[ . 1 . 2]" 1
1174 1 14 THR HA 1 14 THR MG . . 3.220 2.191 1.989 2.354 . 0 0 "[ . 1 . 2]" 1
1175 1 14 THR MG 1 104 GLU HG3 . . 3.830 3.061 2.116 3.862 0.032 18 0 "[ . 1 . 2]" 1
1176 1 74 ASN HD21 1 93 ALA HA . . 4.300 3.564 2.927 4.116 . 0 0 "[ . 1 . 2]" 1
1177 1 93 ALA HA 1 96 ALA H . . 3.760 3.350 3.169 3.499 . 0 0 "[ . 1 . 2]" 1
1178 1 74 ASN HD22 1 93 ALA HA . . 4.130 2.843 2.175 4.014 . 0 0 "[ . 1 . 2]" 1
1179 1 82 THR H 1 82 THR MG . . 3.150 2.540 1.923 3.064 . 0 0 "[ . 1 . 2]" 1
1180 1 82 THR HA 1 82 THR MG . . 3.180 2.425 2.234 2.616 . 0 0 "[ . 1 . 2]" 1
1181 1 14 THR MG 1 104 GLU HB2 . . 4.790 4.519 4.172 4.781 . 0 0 "[ . 1 . 2]" 1
1182 1 19 VAL H 1 19 VAL MG2 . . 3.460 2.796 2.635 3.039 . 0 0 "[ . 1 . 2]" 1
1183 1 49 VAL H 1 49 VAL MG2 . . 2.950 2.509 2.291 2.699 . 0 0 "[ . 1 . 2]" 1
1184 1 49 VAL MG2 1 68 ASP H . . 3.940 3.436 2.840 3.778 . 0 0 "[ . 1 . 2]" 1
1185 1 103 VAL MG1 1 105 PHE QE . . 4.240 3.867 3.341 4.197 . 0 0 "[ . 1 . 2]" 1
1186 1 48 LEU HA 1 49 VAL MG2 . . 4.230 3.753 3.619 3.904 . 0 0 "[ . 1 . 2]" 1
1187 1 19 VAL HA 1 19 VAL MG1 . . 2.970 2.470 2.344 2.587 . 0 0 "[ . 1 . 2]" 1
1188 1 49 VAL HA 1 49 VAL MG2 . . 3.190 2.215 2.100 2.324 . 0 0 "[ . 1 . 2]" 1
1189 1 49 VAL MG2 1 68 ASP QB . . 3.280 2.038 1.878 2.349 . 0 0 "[ . 1 . 2]" 1
1190 1 68 ASP QB 1 103 VAL MG1 . . 3.300 2.011 1.768 2.116 . 0 0 "[ . 1 . 2]" 1
1191 1 103 VAL MG1 1 105 PHE QD . . 3.860 2.742 2.078 3.161 . 0 0 "[ . 1 . 2]" 1
1192 1 70 VAL MG2 1 71 LEU H . . 4.350 4.148 4.006 4.261 . 0 0 "[ . 1 . 2]" 1
1193 1 32 GLN HA 1 33 LEU H . . 2.960 2.250 2.206 2.434 . 0 0 "[ . 1 . 2]" 1
1194 1 103 VAL HA 1 103 VAL MG1 . . 3.390 2.152 2.076 2.257 . 0 0 "[ . 1 . 2]" 1
1195 1 70 VAL HA 1 103 VAL MG1 . . 3.740 3.701 3.541 3.776 0.036 8 0 "[ . 1 . 2]" 1
1196 1 104 GLU HA 1 105 PHE H . . 3.070 2.262 2.203 2.326 . 0 0 "[ . 1 . 2]" 1
1197 1 104 GLU HA 1 104 GLU HG2 . . 3.810 2.621 2.200 3.407 . 0 0 "[ . 1 . 2]" 1
1198 1 104 GLU HA 1 104 GLU HG3 . . 3.680 2.625 2.305 3.017 . 0 0 "[ . 1 . 2]" 1
1199 1 20 VAL MG2 1 21 LEU H . . 4.150 4.138 4.020 4.196 0.046 20 0 "[ . 1 . 2]" 1
1200 1 20 VAL H 1 20 VAL MG2 . . 3.250 2.842 2.557 3.096 . 0 0 "[ . 1 . 2]" 1
1201 1 20 VAL HA 1 20 VAL MG2 . . 3.190 2.235 2.100 2.285 . 0 0 "[ . 1 . 2]" 1
1202 1 20 VAL MG2 1 100 VAL HA . . 3.630 3.045 2.764 3.273 . 0 0 "[ . 1 . 2]" 1
1203 1 19 VAL HA 1 20 VAL MG2 . . 4.040 3.759 3.574 4.039 . 0 0 "[ . 1 . 2]" 1
1204 1 18 GLU HG2 1 20 VAL MG2 . . 3.480 2.729 2.316 3.072 . 0 0 "[ . 1 . 2]" 1
1205 1 106 ASP HA 1 107 SER H . . 3.170 2.606 2.253 3.230 0.060 8 0 "[ . 1 . 2]" 1
1206 1 51 PHE HA 1 66 VAL QG . . 3.120 2.224 1.907 2.500 . 0 0 "[ . 1 . 2]" 1
1207 1 66 VAL QG 1 67 GLY HA2 . . 4.150 3.280 3.162 3.513 . 0 0 "[ . 1 . 2]" 1
1208 1 49 VAL HB 1 66 VAL QG . . 4.500 3.506 3.310 3.811 . 0 0 "[ . 1 . 2]" 1
1209 1 20 VAL MG1 1 99 VAL H . . 4.330 3.145 2.702 3.399 . 0 0 "[ . 1 . 2]" 1
1210 1 20 VAL MG1 1 21 LEU H . . 3.420 3.158 2.610 3.425 0.005 13 0 "[ . 1 . 2]" 1
1211 1 20 VAL H 1 20 VAL MG1 . . 3.950 3.739 3.626 3.797 . 0 0 "[ . 1 . 2]" 1
1212 1 20 VAL MG1 1 21 LEU HA . . 4.490 3.895 3.682 4.029 . 0 0 "[ . 1 . 2]" 1
1213 1 20 VAL HA 1 20 VAL MG1 . . 3.140 2.489 2.362 2.560 . 0 0 "[ . 1 . 2]" 1
1214 1 20 VAL MG1 1 98 LYS HE3 . . 3.660 2.505 1.797 3.573 . 0 0 "[ . 1 . 2]" 1
1215 1 74 ASN H 1 100 VAL MG1 . . 4.260 3.369 2.832 3.759 . 0 0 "[ . 1 . 2]" 1
1216 1 100 VAL MG1 1 101 LEU H . . 3.460 2.483 2.064 2.861 . 0 0 "[ . 1 . 2]" 1
1217 1 19 VAL H 1 100 VAL MG1 . . 3.990 3.419 3.181 3.586 . 0 0 "[ . 1 . 2]" 1
1218 1 103 VAL H 1 103 VAL MG2 . . 3.350 2.110 1.955 2.381 . 0 0 "[ . 1 . 2]" 1
1219 1 100 VAL H 1 100 VAL MG1 . . 3.920 3.742 3.593 3.882 . 0 0 "[ . 1 . 2]" 1
1220 1 102 GLU H 1 103 VAL MG2 . . 4.340 3.927 3.647 4.118 . 0 0 "[ . 1 . 2]" 1
1221 1 102 GLU HA 1 103 VAL MG2 . . 4.000 3.359 3.270 3.529 . 0 0 "[ . 1 . 2]" 1
1222 1 100 VAL HA 1 100 VAL MG1 . . 3.050 2.477 2.303 2.604 . 0 0 "[ . 1 . 2]" 1
1223 1 74 ASN HA 1 100 VAL MG1 . . 3.840 3.418 2.770 3.830 . 0 0 "[ . 1 . 2]" 1
1224 1 18 GLU HG3 1 100 VAL MG1 . . 3.320 1.853 1.785 1.926 . 0 0 "[ . 1 . 2]" 1
1225 1 18 GLU HG2 1 100 VAL MG1 . . 3.000 2.478 1.956 2.989 . 0 0 "[ . 1 . 2]" 1
1226 1 103 VAL MG2 1 105 PHE QD . . 4.340 4.293 4.121 4.379 0.039 20 0 "[ . 1 . 2]" 1
1227 1 17 THR HB 1 103 VAL MG2 . . 4.290 4.289 4.224 4.305 0.015 16 0 "[ . 1 . 2]" 1
1228 1 39 ALA HA 1 83 MET HB3 . . 3.900 2.336 2.000 3.448 . 0 0 "[ . 1 . 2]" 1
1229 1 39 ALA HA 1 83 MET HB2 . . 4.050 3.107 2.121 3.921 . 0 0 "[ . 1 . 2]" 1
1230 1 51 PHE QE 1 53 GLU HA . . 3.640 2.496 2.232 2.704 . 0 0 "[ . 1 . 2]" 1
1231 1 53 GLU HA 1 54 PRO HD3 . . 2.990 1.942 1.933 1.964 . 0 0 "[ . 1 . 2]" 1
1232 1 100 VAL MG2 1 101 LEU H . . 4.060 3.961 3.738 4.081 0.021 14 0 "[ . 1 . 2]" 1
1233 1 100 VAL H 1 100 VAL MG2 . . 3.290 2.968 2.620 3.302 0.012 9 0 "[ . 1 . 2]" 1
1234 1 20 VAL HA 1 100 VAL MG2 . . 3.860 3.147 2.695 3.554 . 0 0 "[ . 1 . 2]" 1
1235 1 100 VAL HA 1 100 VAL MG2 . . 3.010 2.278 2.091 2.409 . 0 0 "[ . 1 . 2]" 1
1236 1 74 ASN HA 1 100 VAL MG2 . . 4.050 3.515 3.208 3.848 . 0 0 "[ . 1 . 2]" 1
1237 1 98 LYS HE3 1 100 VAL MG2 . . 3.940 2.951 2.149 3.948 0.008 14 0 "[ . 1 . 2]" 1
1238 1 18 GLU HG2 1 100 VAL MG2 . . 4.200 3.302 2.815 3.687 . 0 0 "[ . 1 . 2]" 1
1239 1 74 ASN HA 1 75 GLY H . . 3.570 3.250 3.164 3.309 . 0 0 "[ . 1 . 2]" 1
1240 1 65 GLN HA 1 66 VAL H . . 2.930 2.479 2.333 2.673 . 0 0 "[ . 1 . 2]" 1
1241 1 74 ASN HA 1 100 VAL H . . 4.030 2.536 1.939 3.218 . 0 0 "[ . 1 . 2]" 1
1242 1 65 GLN HA 1 65 GLN HG2 . . 3.880 3.146 2.016 3.749 . 0 0 "[ . 1 . 2]" 1
1243 1 74 ASN HA 1 100 VAL HB . . 3.000 2.109 1.993 2.401 . 0 0 "[ . 1 . 2]" 1
1244 1 65 GLN HA 1 66 VAL QG . . 3.980 3.748 3.507 3.898 . 0 0 "[ . 1 . 2]" 1
1245 1 12 VAL H 1 12 VAL QG . . 3.550 2.272 1.800 2.950 . 0 0 "[ . 1 . 2]" 1
1246 1 31 LEU HA 1 53 GLU H . . 4.340 3.313 2.948 3.489 . 0 0 "[ . 1 . 2]" 1
1247 1 31 LEU HA 1 32 GLN H . . 2.940 2.255 2.204 2.340 . 0 0 "[ . 1 . 2]" 1
1248 1 31 LEU HA 1 52 ILE HA . . 3.620 2.320 2.072 2.502 . 0 0 "[ . 1 . 2]" 1
1249 1 17 THR H 1 17 THR MG . . 3.530 2.453 2.196 2.753 . 0 0 "[ . 1 . 2]" 1
1250 1 17 THR MG 1 18 GLU H . . 3.610 3.540 3.352 3.614 0.004 3 0 "[ . 1 . 2]" 1
1251 1 17 THR MG 1 105 PHE QE . . 3.330 2.038 1.895 2.152 . 0 0 "[ . 1 . 2]" 1
1252 1 17 THR MG 1 18 GLU HA . . 4.440 3.761 3.683 3.877 . 0 0 "[ . 1 . 2]" 1
1253 1 17 THR HA 1 17 THR MG . . 3.510 3.191 3.128 3.231 . 0 0 "[ . 1 . 2]" 1
1254 1 17 THR MG 1 103 VAL HB . . 3.650 2.111 1.959 2.269 . 0 0 "[ . 1 . 2]" 1
1255 1 31 LEU HA 1 52 ILE MG . . 4.290 3.683 3.209 4.089 . 0 0 "[ . 1 . 2]" 1
1256 1 64 LEU HA 1 65 GLN H . . 2.950 2.252 2.195 2.418 . 0 0 "[ . 1 . 2]" 1
1257 1 33 LEU HA 1 34 GLN H . . 2.990 2.375 2.206 2.533 . 0 0 "[ . 1 . 2]" 1
1258 1 33 LEU HA 1 34 GLN HB3 . . 4.560 4.172 4.029 4.404 . 0 0 "[ . 1 . 2]" 1
1259 1 33 LEU HA 1 33 LEU HG . . 4.160 2.976 2.759 3.198 . 0 0 "[ . 1 . 2]" 1
1260 1 101 LEU HA 1 102 GLU H . . 3.080 2.294 2.202 2.450 . 0 0 "[ . 1 . 2]" 1
1261 1 100 VAL MG1 1 101 LEU HA . . 3.890 3.644 3.527 3.814 . 0 0 "[ . 1 . 2]" 1
1262 1 21 LEU HA 1 22 CYS H . . 2.980 2.292 2.212 2.383 . 0 0 "[ . 1 . 2]" 1
1263 1 21 LEU HA 1 21 LEU HG . . 4.030 3.035 2.381 3.369 . 0 0 "[ . 1 . 2]" 1
1264 1 48 LEU HA 1 49 VAL H . . 2.980 2.493 2.421 2.564 . 0 0 "[ . 1 . 2]" 1
1265 1 48 LEU HA 1 69 ARG HA . . 3.350 2.424 1.978 2.645 . 0 0 "[ . 1 . 2]" 1
1266 1 48 LEU HA 1 48 LEU HG . . 3.980 2.987 2.721 3.778 . 0 0 "[ . 1 . 2]" 1
1267 1 74 ASN H 1 101 LEU HA . . 4.570 3.303 2.916 3.803 . 0 0 "[ . 1 . 2]" 1
1268 1 101 LEU HA 1 101 LEU HG . . 4.160 3.619 2.827 3.885 . 0 0 "[ . 1 . 2]" 1
1269 1 73 ILE H 1 77 ALA HA . . 4.310 3.858 3.746 3.933 . 0 0 "[ . 1 . 2]" 1
1270 1 77 ALA HA 1 78 THR H . . 2.930 2.205 2.187 2.262 . 0 0 "[ . 1 . 2]" 1
1271 1 72 SER HA 1 77 ALA HA . . 3.300 2.177 1.995 2.357 . 0 0 "[ . 1 . 2]" 1
1272 1 96 ALA MB 1 97 HIS H . . 3.850 3.211 3.087 3.308 . 0 0 "[ . 1 . 2]" 1
1273 1 96 ALA H 1 96 ALA MB . . 2.920 2.085 2.016 2.148 . 0 0 "[ . 1 . 2]" 1
1274 1 93 ALA HA 1 96 ALA MB . . 3.350 2.379 2.237 2.590 . 0 0 "[ . 1 . 2]" 1
1275 1 39 ALA MB 1 40 THR H . . 4.260 2.580 2.199 2.828 . 0 0 "[ . 1 . 2]" 1
1276 1 58 ALA H 1 58 ALA MB . . 3.040 1.967 1.932 2.042 . 0 0 "[ . 1 . 2]" 1
1277 1 58 ALA MB 1 59 GLU H . . 3.630 2.955 2.714 3.059 . 0 0 "[ . 1 . 2]" 1
1278 1 30 GLY HA3 1 58 ALA MB . . 3.970 3.428 3.098 3.658 . 0 0 "[ . 1 . 2]" 1
1279 1 58 ALA MB 1 59 GLU HA . . 4.140 3.846 3.773 3.899 . 0 0 "[ . 1 . 2]" 1
1280 1 58 ALA MB 1 64 LEU QD . . 3.340 2.163 1.747 2.555 . 0 0 "[ . 1 . 2]" 1
1281 1 31 LEU MD2 1 58 ALA MB . . 3.360 2.431 1.893 3.000 . 0 0 "[ . 1 . 2]" 1
1282 1 52 ILE MG 1 58 ALA MB . . 3.040 2.494 2.128 2.975 . 0 0 "[ . 1 . 2]" 1
1283 1 24 ASP HA 1 25 PRO HD3 . . 2.960 2.155 2.067 2.184 . 0 0 "[ . 1 . 2]" 1
1284 1 77 ALA H 1 77 ALA MB . . 2.830 2.115 2.014 2.165 . 0 0 "[ . 1 . 2]" 1
1285 1 77 ALA MB 1 79 GLU H . . 3.540 2.762 2.434 3.030 . 0 0 "[ . 1 . 2]" 1
1286 1 77 ALA MB 1 78 THR H . . 3.550 3.200 2.945 3.405 . 0 0 "[ . 1 . 2]" 1
1287 1 77 ALA MB 1 80 ASP H . . 3.970 2.731 2.247 3.013 . 0 0 "[ . 1 . 2]" 1
1288 1 72 SER HA 1 77 ALA MB . . 4.270 3.896 3.738 4.042 . 0 0 "[ . 1 . 2]" 1
1289 1 76 ILE HA 1 77 ALA MB . . 3.950 3.940 3.907 3.954 0.004 13 0 "[ . 1 . 2]" 1
1290 1 77 ALA MB 1 80 ASP HB3 . . 4.020 3.292 2.701 4.041 0.021 15 0 "[ . 1 . 2]" 1
1291 1 76 ILE MG 1 77 ALA MB . . 4.250 3.793 3.646 4.029 . 0 0 "[ . 1 . 2]" 1
1292 1 34 GLN H 1 83 MET ME . . 3.820 3.660 3.347 3.850 0.030 20 0 "[ . 1 . 2]" 1
1293 1 33 LEU H 1 83 MET ME . . 4.170 4.166 4.096 4.191 0.021 15 0 "[ . 1 . 2]" 1
1294 1 35 GLY H 1 83 MET ME . . 3.760 3.405 2.921 3.741 . 0 0 "[ . 1 . 2]" 1
1295 1 83 MET ME 1 87 ASN H . . 3.700 3.671 3.312 3.713 0.013 17 0 "[ . 1 . 2]" 1
1296 1 83 MET ME 1 87 ASN HD21 . . 3.740 3.179 2.202 3.755 0.015 12 0 "[ . 1 . 2]" 1
1297 1 83 MET ME 1 87 ASN HD22 . . 3.430 2.823 1.899 3.314 . 0 0 "[ . 1 . 2]" 1
1298 1 83 MET HA 1 83 MET ME . . 3.260 2.692 2.544 2.996 . 0 0 "[ . 1 . 2]" 1
1299 1 43 LEU QD 1 83 MET ME . . 3.530 2.586 2.316 2.738 . 0 0 "[ . 1 . 2]" 1
1300 1 33 LEU MD1 1 83 MET ME . . 3.010 2.605 2.208 3.020 0.010 20 0 "[ . 1 . 2]" 1
1301 1 93 ALA H 1 93 ALA MB . . 2.970 2.112 2.021 2.187 . 0 0 "[ . 1 . 2]" 1
1302 1 74 ASN HD21 1 93 ALA MB . . 3.650 2.245 1.758 3.217 . 0 0 "[ . 1 . 2]" 1
1303 1 29 PHE QE 1 93 ALA MB . . 3.390 2.155 1.953 2.424 . 0 0 "[ . 1 . 2]" 1
1304 1 74 ASN HD22 1 93 ALA MB . . 3.470 2.127 1.736 2.569 . 0 0 "[ . 1 . 2]" 1
1305 1 29 PHE HZ 1 93 ALA MB . . 3.590 3.143 2.765 3.532 . 0 0 "[ . 1 . 2]" 1
1306 1 93 ALA MB 1 99 VAL HA . . 3.690 2.662 2.264 3.397 . 0 0 "[ . 1 . 2]" 1
1307 1 93 ALA MB 1 99 VAL HB . . 3.060 2.052 1.905 2.235 . 0 0 "[ . 1 . 2]" 1
1308 1 90 LEU QD 1 93 ALA MB . . 4.200 2.720 2.440 2.997 . 0 0 "[ . 1 . 2]" 1
1309 1 93 ALA MB 1 99 VAL MG2 . . 3.010 1.794 1.677 1.846 . 0 0 "[ . 1 . 2]" 1
1310 1 93 ALA MB 1 99 VAL MG1 . . 3.850 3.293 3.059 3.532 . 0 0 "[ . 1 . 2]" 1
1311 1 51 PHE HZ 1 54 PRO HD3 . . 4.020 2.142 1.976 2.445 . 0 0 "[ . 1 . 2]" 1
1312 1 51 PHE HZ 1 54 PRO HD2 . . 4.230 3.539 3.350 3.775 . 0 0 "[ . 1 . 2]" 1
1313 1 53 GLU HA 1 54 PRO HD2 . . 3.160 2.544 2.495 2.622 . 0 0 "[ . 1 . 2]" 1
1314 1 24 ASP HA 1 25 PRO HD2 . . 3.070 2.923 2.787 2.964 . 0 0 "[ . 1 . 2]" 1
1315 1 99 VAL H 1 99 VAL MG1 . . 3.390 2.432 2.148 2.621 . 0 0 "[ . 1 . 2]" 1
1316 1 21 LEU H 1 99 VAL MG1 . . 3.850 2.242 1.905 2.804 . 0 0 "[ . 1 . 2]" 1
1317 1 29 PHE QE 1 99 VAL MG1 . . 3.910 2.511 2.236 2.680 . 0 0 "[ . 1 . 2]" 1
1318 1 29 PHE QD 1 99 VAL MG1 . . 4.050 3.106 2.366 3.399 . 0 0 "[ . 1 . 2]" 1
1319 1 29 PHE HZ 1 99 VAL MG1 . . 4.230 2.674 2.326 3.096 . 0 0 "[ . 1 . 2]" 1
1320 1 21 LEU HB2 1 99 VAL MG1 . . 2.830 2.002 1.809 2.779 . 0 0 "[ . 1 . 2]" 1
1321 1 21 LEU HB3 1 99 VAL MG1 . . 3.690 2.975 2.232 3.686 . 0 0 "[ . 1 . 2]" 1
1322 1 56 SER HB2 1 57 PRO HD3 . . 3.720 2.433 2.387 2.498 . 0 0 "[ . 1 . 2]" 1
1323 1 56 SER HB2 1 57 PRO HD2 . . 3.600 1.990 1.971 2.013 . 0 0 "[ . 1 . 2]" 1
1324 1 76 ILE MG 1 77 ALA H . . 3.340 2.721 2.526 3.028 . 0 0 "[ . 1 . 2]" 1
1325 1 76 ILE HA 1 76 ILE MG . . 3.100 2.323 2.228 2.443 . 0 0 "[ . 1 . 2]" 1
1326 1 11 ILE HA 1 11 ILE MG . . 3.230 2.536 2.176 3.210 . 0 0 "[ . 1 . 2]" 1
1327 1 11 ILE HG12 1 11 ILE MG . . 3.450 2.305 1.976 3.229 . 0 0 "[ . 1 . 2]" 1
1328 1 73 ILE MG 1 74 ASN H . . 3.690 2.958 2.666 3.151 . 0 0 "[ . 1 . 2]" 1
1329 1 73 ILE H 1 73 ILE MG . . 4.250 3.829 3.744 3.900 . 0 0 "[ . 1 . 2]" 1
1330 1 73 ILE MG 1 74 ASN HD21 . . 4.440 3.585 3.098 4.423 . 0 0 "[ . 1 . 2]" 1
1331 1 73 ILE MG 1 100 VAL H . . 4.490 3.860 3.322 4.340 . 0 0 "[ . 1 . 2]" 1
1332 1 73 ILE MG 1 90 LEU H . . 4.420 3.528 3.136 4.039 . 0 0 "[ . 1 . 2]" 1
1333 1 73 ILE HA 1 73 ILE MG . . 3.140 2.447 2.309 2.559 . 0 0 "[ . 1 . 2]" 1
1334 1 73 ILE MG 1 74 ASN HB3 . . 3.990 4.126 3.834 4.516 0.526 12 1 "[ . 1 + . 2]" 1
1335 1 73 ILE MG 1 89 LEU HB2 . . 3.590 2.904 2.432 3.478 . 0 0 "[ . 1 . 2]" 1
1336 1 73 ILE MG 1 90 LEU HG . . 3.880 2.853 2.141 3.885 0.005 6 0 "[ . 1 . 2]" 1
1337 1 73 ILE MG 1 89 LEU HB3 . . 3.190 2.414 2.046 2.758 . 0 0 "[ . 1 . 2]" 1
1338 1 73 ILE MG 1 99 VAL MG1 . . 4.330 4.068 3.512 4.337 0.007 6 0 "[ . 1 . 2]" 1
1339 1 45 SER HA 1 46 PRO HD3 . . 3.220 2.113 2.056 2.133 . 0 0 "[ . 1 . 2]" 1
1340 1 37 ILE H 1 37 ILE MG . . 3.800 3.622 2.015 3.887 0.087 3 0 "[ . 1 . 2]" 1
1341 1 37 ILE MG 1 38 PHE QD . . 4.080 3.006 1.998 4.031 . 0 0 "[ . 1 . 2]" 1
1342 1 37 ILE HA 1 37 ILE MG . . 3.200 2.478 2.228 3.082 . 0 0 "[ . 1 . 2]" 1
1343 1 94 ALA H 1 94 ALA MB . . 2.890 2.035 1.932 2.152 . 0 0 "[ . 1 . 2]" 1
1344 1 94 ALA MB 1 95 LEU H . . 3.380 2.724 2.582 2.941 . 0 0 "[ . 1 . 2]" 1
1345 1 29 PHE QE 1 94 ALA MB . . 3.520 3.173 2.856 3.421 . 0 0 "[ . 1 . 2]" 1
1346 1 29 PHE QD 1 94 ALA MB . . 4.190 3.487 3.061 3.741 . 0 0 "[ . 1 . 2]" 1
1347 1 29 PHE HZ 1 94 ALA MB . . 3.950 3.922 3.739 3.968 0.018 16 0 "[ . 1 . 2]" 1
1348 1 91 ARG HA 1 94 ALA MB . . 3.410 2.596 2.246 2.974 . 0 0 "[ . 1 . 2]" 1
1349 1 28 GLY HA2 1 94 ALA MB . . 3.190 2.326 2.148 2.554 . 0 0 "[ . 1 . 2]" 1
1350 1 28 GLY HA3 1 94 ALA MB . . 3.640 3.579 3.335 3.659 0.019 7 0 "[ . 1 . 2]" 1
1351 1 94 ALA MB 1 95 LEU HG . . 3.890 3.370 3.154 3.610 . 0 0 "[ . 1 . 2]" 1
1352 1 93 ALA MB 1 94 ALA MB . . 4.100 3.737 3.651 3.824 . 0 0 "[ . 1 . 2]" 1
1353 1 52 ILE MG 1 53 GLU H . . 3.460 2.306 2.082 2.836 . 0 0 "[ . 1 . 2]" 1
1354 1 52 ILE MG 1 59 GLU H . . 3.530 3.133 2.773 3.318 . 0 0 "[ . 1 . 2]" 1
1355 1 52 ILE MG 1 56 SER H . . 4.340 4.162 4.030 4.347 0.007 17 0 "[ . 1 . 2]" 1
1356 1 52 ILE MG 1 56 SER HG . . 3.570 2.395 2.255 2.624 . 0 0 "[ . 1 . 2]" 1
1357 1 52 ILE HA 1 52 ILE MG . . 3.150 2.579 2.412 2.706 . 0 0 "[ . 1 . 2]" 1
1358 1 52 ILE MG 1 59 GLU HA . . 3.140 2.546 2.005 2.866 . 0 0 "[ . 1 . 2]" 1
1359 1 52 ILE MG 1 59 GLU QG . . 3.220 3.202 3.113 3.236 0.016 17 0 "[ . 1 . 2]" 1
1360 1 52 ILE MG 1 59 GLU HB2 . . 3.170 1.995 1.860 2.128 . 0 0 "[ . 1 . 2]" 1
1361 1 86 ALA MB 1 87 ASN H . . 3.350 2.501 2.195 2.679 . 0 0 "[ . 1 . 2]" 1
1362 1 86 ALA H 1 86 ALA MB . . 3.020 2.012 1.932 2.161 . 0 0 "[ . 1 . 2]" 1
1363 1 83 MET HA 1 86 ALA MB . . 3.380 2.876 2.631 3.173 . 0 0 "[ . 1 . 2]" 1
1364 1 33 LEU MD1 1 86 ALA MB . . 3.130 2.246 1.909 2.847 . 0 0 "[ . 1 . 2]" 1
1365 1 108 GLY HA2 1 109 PRO QD . . 3.000 2.255 1.853 2.723 . 0 0 "[ . 1 . 2]" 1
1366 1 108 GLY HA3 1 109 PRO QD . . 3.060 2.340 1.976 2.939 . 0 0 "[ . 1 . 2]" 1
1367 1 47 PRO QD 1 78 THR HG1 . . 3.620 2.582 1.920 3.081 . 0 0 "[ . 1 . 2]" 1
1368 1 46 PRO HB2 1 47 PRO QD . . 4.100 3.060 2.909 3.193 . 0 0 "[ . 1 . 2]" 1
1369 1 10 GLN QG 1 11 ILE H . . 4.730 3.519 2.095 4.430 . 0 0 "[ . 1 . 2]" 1
1370 1 13 HIS HB3 1 14 THR H . . 4.990 3.412 2.140 4.685 . 0 0 "[ . 1 . 2]" 1
1371 1 18 GLU HB2 1 100 VAL MG1 . . 3.820 3.836 3.808 3.870 0.050 10 0 "[ . 1 . 2]" 1
1372 1 18 GLU H 1 18 GLU HG2 . . 4.500 4.471 4.391 4.529 0.029 2 0 "[ . 1 . 2]" 1
1373 1 19 VAL HB 1 101 LEU H . . 4.680 3.208 2.997 3.544 . 0 0 "[ . 1 . 2]" 1
1374 1 20 VAL MG2 1 101 LEU H . . 4.640 4.146 3.810 4.451 . 0 0 "[ . 1 . 2]" 1
1375 1 20 VAL MG1 1 98 LYS QD . . 3.610 2.802 1.953 3.581 . 0 0 "[ . 1 . 2]" 1
1376 1 23 GLY HA3 1 57 PRO HG2 . . 4.720 4.290 3.427 4.664 . 0 0 "[ . 1 . 2]" 1
1377 1 23 GLY HA2 1 29 PHE HA . . 4.670 4.432 3.627 4.686 0.016 18 0 "[ . 1 . 2]" 1
1378 1 23 GLY HA2 1 57 PRO HG3 . . 4.740 3.824 3.105 4.167 . 0 0 "[ . 1 . 2]" 1
1379 1 45 SER HA 1 46 PRO HG3 . . 4.580 4.367 4.319 4.384 . 0 0 "[ . 1 . 2]" 1
1380 1 45 SER HA 1 46 PRO HG2 . . 4.880 4.784 4.714 4.808 . 0 0 "[ . 1 . 2]" 1
1381 1 46 PRO HG3 1 69 ARG HB3 . . 4.500 3.907 3.476 4.456 . 0 0 "[ . 1 . 2]" 1
1382 1 46 PRO HG3 1 71 LEU MD1 . . 4.640 4.653 4.638 4.671 0.031 17 0 "[ . 1 . 2]" 1
1383 1 25 PRO HD3 1 97 HIS HD2 . . 4.760 3.481 2.584 4.158 . 0 0 "[ . 1 . 2]" 1
1384 1 26 LEU H 1 26 LEU MD2 . . 4.500 4.041 2.270 4.462 . 0 0 "[ . 1 . 2]" 1
1385 1 26 LEU HB3 1 27 SER HA . . 4.680 3.999 3.925 4.059 . 0 0 "[ . 1 . 2]" 1
1386 1 31 LEU MD1 1 33 LEU H . . 4.690 3.844 3.241 4.480 . 0 0 "[ . 1 . 2]" 1
1387 1 30 GLY H 1 31 LEU MD2 . . 5.030 3.535 2.893 4.846 . 0 0 "[ . 1 . 2]" 1
1388 1 29 PHE QD 1 31 LEU MD2 . . 4.460 3.108 2.565 3.433 . 0 0 "[ . 1 . 2]" 1
1389 1 33 LEU HB3 1 33 LEU MD1 . . 3.250 2.355 2.258 2.467 . 0 0 "[ . 1 . 2]" 1
1390 1 34 GLN H 1 34 GLN HG2 . . 4.900 4.080 3.587 4.314 . 0 0 "[ . 1 . 2]" 1
1391 1 34 GLN HG3 1 48 LEU HB2 . . 4.780 4.805 4.147 4.956 0.176 20 0 "[ . 1 . 2]" 1
1392 1 34 GLN HG2 1 48 LEU HB2 . . 4.890 3.669 2.608 4.903 0.013 19 0 "[ . 1 . 2]" 1
1393 1 35 GLY HA2 1 47 PRO HB3 . . 4.530 3.534 2.987 4.329 . 0 0 "[ . 1 . 2]" 1
1394 1 37 ILE HG13 1 37 ILE MG . . 3.250 2.904 2.338 3.235 . 0 0 "[ . 1 . 2]" 1
1395 1 37 ILE HG12 1 37 ILE MG . . 3.470 2.359 1.961 3.229 . 0 0 "[ . 1 . 2]" 1
1396 1 37 ILE H 1 37 ILE MD . . 4.730 2.981 1.976 4.651 . 0 0 "[ . 1 . 2]" 1
1397 1 38 PHE HB3 1 40 THR H . . 4.890 3.284 2.791 4.187 . 0 0 "[ . 1 . 2]" 1
1398 1 39 ALA MB 1 84 GLU H . . 4.650 3.063 1.986 4.179 . 0 0 "[ . 1 . 2]" 1
1399 1 43 LEU QD 1 83 MET H . . 4.390 2.758 2.507 3.041 . 0 0 "[ . 1 . 2]" 1
1400 1 45 SER HA 1 46 PRO HD2 . . 2.920 2.883 2.796 2.913 . 0 0 "[ . 1 . 2]" 1
1401 1 46 PRO HB3 1 70 VAL H . . 4.760 3.891 3.384 4.606 . 0 0 "[ . 1 . 2]" 1
1402 1 46 PRO HB2 1 71 LEU HA . . 4.680 3.468 3.244 3.690 . 0 0 "[ . 1 . 2]" 1
1403 1 34 GLN H 1 47 PRO HB2 . . 4.770 2.450 2.058 3.388 . 0 0 "[ . 1 . 2]" 1
1404 1 47 PRO QD 1 70 VAL H . . 4.910 3.252 3.085 3.615 . 0 0 "[ . 1 . 2]" 1
1405 1 50 CYS HA 1 67 GLY H . . 4.790 4.738 4.013 4.826 0.036 16 0 "[ . 1 . 2]" 1
1406 1 52 ILE MD 1 65 GLN H . . 4.320 3.098 2.610 3.518 . 0 0 "[ . 1 . 2]" 1
1407 1 52 ILE H 1 52 ILE MD . . 4.430 4.265 4.077 4.429 . 0 0 "[ . 1 . 2]" 1
1408 1 31 LEU HA 1 52 ILE MD . . 4.710 4.366 4.047 4.711 0.001 6 0 "[ . 1 . 2]" 1
1409 1 52 ILE MD 1 59 GLU HA . . 4.520 3.313 2.978 3.614 . 0 0 "[ . 1 . 2]" 1
1410 1 52 ILE MD 1 66 VAL HA . . 4.540 3.666 3.209 4.508 . 0 0 "[ . 1 . 2]" 1
1411 1 53 GLU H 1 53 GLU HB2 . . 3.560 2.129 2.083 2.153 . 0 0 "[ . 1 . 2]" 1
1412 1 51 PHE QE 1 53 GLU HB3 . . 4.610 4.432 4.295 4.547 . 0 0 "[ . 1 . 2]" 1
1413 1 53 GLU HB2 1 54 PRO HD2 . . 4.530 4.259 4.151 4.336 . 0 0 "[ . 1 . 2]" 1
1414 1 51 PHE QD 1 53 GLU HG3 . . 4.730 4.365 4.059 4.731 0.001 12 0 "[ . 1 . 2]" 1
1415 1 51 PHE QD 1 53 GLU HG2 . . 4.630 4.276 4.204 4.352 . 0 0 "[ . 1 . 2]" 1
1416 1 53 GLU HA 1 54 PRO HG3 . . 4.870 4.216 4.206 4.237 . 0 0 "[ . 1 . 2]" 1
1417 1 58 ALA HA 1 61 CYS QB . . 4.820 3.250 2.994 3.530 . 0 0 "[ . 1 . 2]" 1
1418 1 58 ALA HA 1 61 CYS H . . 4.680 3.817 3.692 3.971 . 0 0 "[ . 1 . 2]" 1
1419 1 53 GLU H 1 58 ALA MB . . 4.610 3.678 3.262 3.979 . 0 0 "[ . 1 . 2]" 1
1420 1 30 GLY H 1 58 ALA MB . . 4.780 3.793 3.352 4.791 0.011 20 0 "[ . 1 . 2]" 1
1421 1 56 SER HG 1 58 ALA MB . . 4.340 2.878 2.778 2.979 . 0 0 "[ . 1 . 2]" 1
1422 1 52 ILE HA 1 58 ALA MB . . 4.470 3.783 3.276 4.266 . 0 0 "[ . 1 . 2]" 1
1423 1 57 PRO HD2 1 58 ALA MB . . 4.680 3.401 3.354 3.486 . 0 0 "[ . 1 . 2]" 1
1424 1 57 PRO HG2 1 58 ALA MB . . 4.500 3.663 3.606 3.732 . 0 0 "[ . 1 . 2]" 1
1425 1 29 PHE HB3 1 58 ALA MB . . 4.730 3.395 3.184 3.663 . 0 0 "[ . 1 . 2]" 1
1426 1 56 SER HG 1 59 GLU HB3 . . 4.770 3.554 3.132 3.768 . 0 0 "[ . 1 . 2]" 1
1427 1 55 ASP H 1 59 GLU HB3 . . 4.680 3.276 3.090 3.543 . 0 0 "[ . 1 . 2]" 1
1428 1 55 ASP H 1 59 GLU HB2 . . 5.030 4.087 3.919 4.484 . 0 0 "[ . 1 . 2]" 1
1429 1 59 GLU QG 1 60 ARG HA . . 4.260 3.868 3.585 4.192 . 0 0 "[ . 1 . 2]" 1
1430 1 60 ARG HA 1 62 GLY H . . 4.810 3.795 3.563 3.965 . 0 0 "[ . 1 . 2]" 1
1431 1 60 ARG HA 1 60 ARG HD2 . . 4.550 4.524 4.344 4.578 0.028 3 0 "[ . 1 . 2]" 1
1432 1 91 ARG HA 1 91 ARG HD3 . . 4.550 4.324 4.235 4.420 . 0 0 "[ . 1 . 2]" 1
1433 1 88 GLN HA 1 91 ARG HD3 . . 4.290 4.219 3.760 4.450 0.160 13 0 "[ . 1 . 2]" 1
1434 1 65 GLN HA 1 66 VAL HA . . 4.850 4.294 4.287 4.309 . 0 0 "[ . 1 . 2]" 1
1435 1 66 VAL HA 1 67 GLY HA3 . . 4.840 4.431 4.411 4.485 . 0 0 "[ . 1 . 2]" 1
1436 1 48 LEU QD 1 69 ARG HB3 . . 4.870 3.708 3.041 4.077 . 0 0 "[ . 1 . 2]" 1
1437 1 48 LEU QD 1 69 ARG HB2 . . 4.820 3.896 2.696 4.225 . 0 0 "[ . 1 . 2]" 1
1438 1 69 ARG HA 1 69 ARG HG3 . . 4.000 2.274 1.997 3.787 . 0 0 "[ . 1 . 2]" 1
1439 1 69 ARG H 1 69 ARG HG3 . . 4.660 3.455 2.401 4.075 . 0 0 "[ . 1 . 2]" 1
1440 1 69 ARG H 1 69 ARG HD2 . . 4.580 3.950 3.201 4.656 0.076 19 0 "[ . 1 . 2]" 1
1441 1 71 LEU HG 1 72 SER H . . 5.040 4.258 4.147 4.431 . 0 0 "[ . 1 . 2]" 1
1442 1 71 LEU MD2 1 104 GLU H . . 4.410 3.803 3.305 4.097 . 0 0 "[ . 1 . 2]" 1
1443 1 70 VAL H 1 71 LEU MD2 . . 4.750 4.098 3.651 4.524 . 0 0 "[ . 1 . 2]" 1
1444 1 71 LEU MD2 1 72 SER H . . 4.900 4.530 4.416 4.583 . 0 0 "[ . 1 . 2]" 1
1445 1 71 LEU MD2 1 103 VAL HA . . 4.700 4.319 4.057 4.579 . 0 0 "[ . 1 . 2]" 1
1446 1 71 LEU MD2 1 104 GLU HA . . 4.660 4.436 4.181 4.662 0.002 20 0 "[ . 1 . 2]" 1
1447 1 46 PRO HD2 1 71 LEU MD2 . . 4.630 4.577 4.312 4.677 0.047 16 0 "[ . 1 . 2]" 1
1448 1 46 PRO HD3 1 71 LEU MD2 . . 4.630 4.067 3.816 4.197 . 0 0 "[ . 1 . 2]" 1
1449 1 72 SER HB3 1 76 ILE H . . 4.670 4.482 4.315 4.677 0.007 1 0 "[ . 1 . 2]" 1
1450 1 73 ILE H 1 73 ILE HG12 . . 5.050 4.193 4.022 4.332 . 0 0 "[ . 1 . 2]" 1
1451 1 73 ILE MG 1 74 ASN HB2 . . 4.570 2.798 2.336 3.963 . 0 0 "[ . 1 . 2]" 1
1452 1 73 ILE MG 1 101 LEU HA . . 4.730 3.941 3.367 4.230 . 0 0 "[ . 1 . 2]" 1
1453 1 73 ILE MD 1 89 LEU H . . 4.870 4.636 4.141 4.877 0.007 20 0 "[ . 1 . 2]" 1
1454 1 76 ILE MD 1 77 ALA H . . 4.250 3.733 3.504 3.991 . 0 0 "[ . 1 . 2]" 1
1455 1 76 ILE HG12 1 76 ILE MG . . 3.320 3.218 3.202 3.235 . 0 0 "[ . 1 . 2]" 1
1456 1 76 ILE HG13 1 76 ILE MG . . 3.230 2.531 2.436 2.608 . 0 0 "[ . 1 . 2]" 1
1457 1 77 ALA MB 1 79 GLU HB2 . . 4.100 3.182 2.926 3.554 . 0 0 "[ . 1 . 2]" 1
1458 1 79 GLU HB3 1 80 ASP H . . 4.840 4.257 4.062 4.411 . 0 0 "[ . 1 . 2]" 1
1459 1 46 PRO HA 1 79 GLU HG2 . . 4.810 3.206 2.597 3.831 . 0 0 "[ . 1 . 2]" 1
1460 1 46 PRO HA 1 79 GLU HG3 . . 4.690 4.148 2.907 4.661 . 0 0 "[ . 1 . 2]" 1
1461 1 82 THR MG 1 83 MET H . . 4.500 3.864 3.485 4.107 . 0 0 "[ . 1 . 2]" 1
1462 1 41 GLU H 1 82 THR MG . . 4.550 2.464 1.915 3.471 . 0 0 "[ . 1 . 2]" 1
1463 1 83 MET HG3 1 84 GLU H . . 4.590 4.438 3.799 4.604 0.014 10 0 "[ . 1 . 2]" 1
1464 1 83 MET HG3 1 87 ASN HD21 . . 4.670 3.982 2.787 4.948 0.278 8 0 "[ . 1 . 2]" 1
1465 1 83 MET HG3 1 87 ASN HD22 . . 4.630 4.040 3.098 4.892 0.262 8 0 "[ . 1 . 2]" 1
1466 1 39 ALA HA 1 83 MET HG3 . . 4.830 4.057 3.188 4.839 0.009 15 0 "[ . 1 . 2]" 1
1467 1 83 MET ME 1 86 ALA H . . 4.290 4.277 4.224 4.304 0.014 17 0 "[ . 1 . 2]" 1
1468 1 33 LEU HA 1 83 MET ME . . 4.330 4.179 4.047 4.340 0.010 8 0 "[ . 1 . 2]" 1
1469 1 83 MET ME 1 83 MET HG2 . . 3.490 2.360 1.962 3.126 . 0 0 "[ . 1 . 2]" 1
1470 1 83 MET ME 1 83 MET HG3 . . 3.170 2.729 2.197 3.053 . 0 0 "[ . 1 . 2]" 1
1471 1 83 MET ME 1 86 ALA MB . . 3.040 2.356 2.102 2.668 . 0 0 "[ . 1 . 2]" 1
1472 1 33 LEU HB3 1 83 MET ME . . 3.130 2.197 1.942 2.535 . 0 0 "[ . 1 . 2]" 1
1473 1 73 ILE MG 1 89 LEU HA . . 4.610 4.414 4.160 4.620 0.010 12 0 "[ . 1 . 2]" 1
1474 1 73 ILE H 1 89 LEU MD1 . . 4.780 3.658 3.256 3.914 . 0 0 "[ . 1 . 2]" 1
1475 1 86 ALA H 1 89 LEU MD1 . . 4.700 3.940 3.540 4.639 . 0 0 "[ . 1 . 2]" 1
1476 1 89 LEU HB3 1 89 LEU MD2 . . 3.150 2.334 2.214 2.411 . 0 0 "[ . 1 . 2]" 1
1477 1 76 ILE HG13 1 89 LEU MD2 . . 3.780 2.222 1.925 2.804 . 0 0 "[ . 1 . 2]" 1
1478 1 91 ARG HG3 1 92 ASP H . . 4.960 4.869 4.775 4.975 0.015 9 0 "[ . 1 . 2]" 1
1479 1 91 ARG HG2 1 92 ASP H . . 5.020 4.509 4.341 4.697 . 0 0 "[ . 1 . 2]" 1
1480 1 88 GLN HA 1 91 ARG HD2 . . 4.580 3.827 3.323 4.205 . 0 0 "[ . 1 . 2]" 1
1481 1 91 ARG HA 1 91 ARG HD2 . . 4.850 4.589 4.481 4.660 . 0 0 "[ . 1 . 2]" 1
1482 1 93 ALA MB 1 95 LEU H . . 4.530 4.482 4.366 4.548 0.018 4 0 "[ . 1 . 2]" 1
1483 1 93 ALA H 1 94 ALA MB . . 4.490 4.235 3.994 4.433 . 0 0 "[ . 1 . 2]" 1
1484 1 28 GLY H 1 94 ALA MB . . 4.370 3.780 3.523 4.148 . 0 0 "[ . 1 . 2]" 1
1485 1 96 ALA HA 1 97 HIS HD2 . . 4.770 3.963 3.288 4.765 . 0 0 "[ . 1 . 2]" 1
1486 1 29 PHE HZ 1 98 LYS HA . . 4.650 3.490 3.083 4.106 . 0 0 "[ . 1 . 2]" 1
1487 1 98 LYS HA 1 98 LYS QD . . 4.650 3.913 3.414 4.099 . 0 0 "[ . 1 . 2]" 1
1488 1 61 CYS HA 1 61 CYS HG . . 4.260 2.911 2.016 3.880 . 0 0 "[ . 1 . 2]" 1
1489 1 61 CYS HA 1 63 LEU QD . . 4.860 4.621 4.060 4.792 . 0 0 "[ . 1 . 2]" 1
1490 1 29 PHE QE 1 99 VAL MG2 . . 4.800 2.810 2.327 3.232 . 0 0 "[ . 1 . 2]" 1
1491 1 29 PHE HZ 1 99 VAL MG2 . . 4.910 3.791 3.475 4.296 . 0 0 "[ . 1 . 2]" 1
1492 1 99 VAL MG1 1 100 VAL H . . 4.520 3.582 3.215 3.835 . 0 0 "[ . 1 . 2]" 1
1493 1 98 LYS HA 1 99 VAL MG1 . . 4.480 3.737 3.514 3.962 . 0 0 "[ . 1 . 2]" 1
1494 1 99 VAL MG1 1 101 LEU H . . 4.880 4.473 4.007 4.900 0.020 14 0 "[ . 1 . 2]" 1
1495 1 16 THR MG 1 104 GLU HB3 . . 4.730 4.563 4.286 4.753 0.023 15 0 "[ . 1 . 2]" 1
1496 1 104 GLU H 1 104 GLU HG2 . . 4.720 4.524 4.332 4.661 . 0 0 "[ . 1 . 2]" 1
1497 1 104 GLU H 1 104 GLU HG3 . . 4.950 4.610 4.444 4.806 . 0 0 "[ . 1 . 2]" 1
1498 1 105 PHE QE 1 107 SER HB2 . . 4.550 2.689 2.004 4.231 . 0 0 "[ . 1 . 2]" 1
1499 1 105 PHE QD 1 107 SER HB2 . . 4.660 3.417 2.961 4.216 . 0 0 "[ . 1 . 2]" 1
1500 1 105 PHE QE 1 107 SER HB3 . . 4.680 3.846 3.075 4.514 . 0 0 "[ . 1 . 2]" 1
1501 1 105 PHE QD 1 107 SER HB3 . . 4.810 4.125 2.924 4.715 . 0 0 "[ . 1 . 2]" 1
1502 1 56 SER H 1 56 SER HB2 . . 4.080 3.484 3.442 3.536 . 0 0 "[ . 1 . 2]" 1
1503 1 30 GLY HA3 1 56 SER HB2 . . 3.670 2.040 1.979 2.272 . 0 0 "[ . 1 . 2]" 1
1504 1 53 GLU HB3 1 56 SER HB2 . . 4.170 2.773 2.643 2.947 . 0 0 "[ . 1 . 2]" 1
1505 1 105 PHE QD 1 106 ASP H . . 4.600 3.290 2.857 3.606 . 0 0 "[ . 1 . 2]" 1
1506 1 32 GLN HB2 1 51 PHE QD . . 4.730 2.650 2.468 2.981 . 0 0 "[ . 1 . 2]" 1
1507 1 32 GLN QG 1 51 PHE QD . . 4.160 2.596 2.309 2.829 . 0 0 "[ . 1 . 2]" 1
1508 1 51 PHE QD 1 53 GLU HA . . 4.490 4.402 4.203 4.497 0.007 12 0 "[ . 1 . 2]" 1
1509 1 51 PHE QE 1 54 PRO HD3 . . 4.780 3.386 3.234 3.586 . 0 0 "[ . 1 . 2]" 1
1510 1 32 GLN QG 1 51 PHE QE . . 4.420 4.303 4.037 4.437 0.017 20 0 "[ . 1 . 2]" 1
1511 1 17 THR MG 1 105 PHE HZ . . 4.700 3.446 2.618 3.648 . 0 0 "[ . 1 . 2]" 1
1512 1 15 GLU HB3 1 105 PHE HZ . . 5.120 3.957 3.413 5.054 . 0 0 "[ . 1 . 2]" 1
1513 1 15 GLU HB2 1 105 PHE HZ . . 5.220 4.747 4.426 5.131 . 0 0 "[ . 1 . 2]" 1
1514 1 29 PHE HZ 1 99 VAL HB . . 4.010 2.180 1.984 2.710 . 0 0 "[ . 1 . 2]" 1
1515 1 17 THR HB 1 105 PHE HZ . . 5.150 2.000 1.990 2.042 . 0 0 "[ . 1 . 2]" 1
1516 1 16 THR HA 1 105 PHE QD . . 5.320 4.559 3.609 5.079 . 0 0 "[ . 1 . 2]" 1
1517 1 17 THR HB 1 105 PHE QD . . 5.190 4.328 4.115 5.015 . 0 0 "[ . 1 . 2]" 1
1518 1 25 PRO HD3 1 97 HIS HE1 . . 5.150 3.927 2.498 5.159 0.009 14 0 "[ . 1 . 2]" 1
1519 1 97 HIS QB 1 97 HIS HE1 . . 4.810 4.411 4.380 4.487 . 0 0 "[ . 1 . 2]" 1
1520 1 38 PHE HB3 1 41 GLU QB . . 5.040 3.747 2.483 4.769 . 0 0 "[ . 1 . 2]" 1
1521 1 51 PHE HZ 1 53 GLU HA . . 4.420 2.492 2.408 2.626 . 0 0 "[ . 1 . 2]" 1
1522 1 51 PHE HZ 1 53 GLU HB2 . . 5.350 5.340 5.247 5.366 0.016 16 0 "[ . 1 . 2]" 1
1523 1 29 PHE QD 1 57 PRO HG2 . . 5.120 2.726 2.473 3.032 . 0 0 "[ . 1 . 2]" 1
1524 1 17 THR MG 1 19 VAL H . . 4.780 3.934 3.730 4.277 . 0 0 "[ . 1 . 2]" 1
1525 1 17 THR MG 1 103 VAL H . . 4.170 2.487 2.216 2.783 . 0 0 "[ . 1 . 2]" 1
1526 1 17 THR MG 1 105 PHE QD . . 3.730 3.671 3.464 3.758 0.028 8 0 "[ . 1 . 2]" 1
1527 1 73 ILE MD 1 78 THR MG . . 3.160 2.150 1.895 2.286 . 0 0 "[ . 1 . 2]" 1
1528 1 72 SER HB3 1 75 GLY H . . 4.960 4.699 4.595 4.863 . 0 0 "[ . 1 . 2]" 1
1529 1 72 SER HB3 1 77 ALA H . . 5.000 3.629 3.455 3.770 . 0 0 "[ . 1 . 2]" 1
1530 1 72 SER HB2 1 77 ALA H . . 5.200 3.797 3.490 4.074 . 0 0 "[ . 1 . 2]" 1
1531 1 72 SER HB2 1 78 THR H . . 4.650 4.493 4.101 4.637 . 0 0 "[ . 1 . 2]" 1
1532 1 71 LEU MD1 1 72 SER H . . 4.740 4.432 4.293 4.557 . 0 0 "[ . 1 . 2]" 1
1533 1 16 THR MG 1 71 LEU MD1 . . 3.000 2.115 1.937 2.334 . 0 0 "[ . 1 . 2]" 1
1534 1 70 VAL HA 1 71 LEU MD2 . . 4.680 4.280 3.965 4.622 . 0 0 "[ . 1 . 2]" 1
1535 1 72 SER HB3 1 78 THR MG . . 5.020 4.267 4.005 4.611 . 0 0 "[ . 1 . 2]" 1
1536 1 72 SER HB2 1 78 THR MG . . 4.880 4.324 4.074 4.667 . 0 0 "[ . 1 . 2]" 1
1537 1 69 ARG HB3 1 69 ARG HE . . 5.140 3.761 2.957 4.959 . 0 0 "[ . 1 . 2]" 1
1538 1 73 ILE HA 1 102 GLU H . . 4.750 3.851 3.605 4.008 . 0 0 "[ . 1 . 2]" 1
1539 1 70 VAL MG2 1 103 VAL HA . . 4.510 4.140 3.866 4.355 . 0 0 "[ . 1 . 2]" 1
1540 1 88 GLN HE21 1 91 ARG HD3 . . 4.910 2.844 2.510 4.033 . 0 0 "[ . 1 . 2]" 1
1541 1 88 GLN HE21 1 91 ARG HD2 . . 5.270 3.600 3.118 4.009 . 0 0 "[ . 1 . 2]" 1
1542 1 91 ARG H 1 91 ARG HD2 . . 5.310 4.951 4.492 5.275 . 0 0 "[ . 1 . 2]" 1
1543 1 72 SER H 1 102 GLU HG3 . . 4.910 4.696 4.456 4.908 . 0 0 "[ . 1 . 2]" 1
1544 1 71 LEU HB2 1 102 GLU HG2 . . 4.350 2.281 2.006 2.725 . 0 0 "[ . 1 . 2]" 1
1545 1 57 PRO HA 1 59 GLU H . . 4.980 3.827 3.662 4.063 . 0 0 "[ . 1 . 2]" 1
1546 1 57 PRO HA 1 60 ARG HD3 . . 4.970 4.930 4.813 4.980 0.010 10 0 "[ . 1 . 2]" 1
1547 1 83 MET HG2 1 87 ASN HD21 . . 5.070 4.810 4.464 5.073 0.003 3 0 "[ . 1 . 2]" 1
1548 1 83 MET HG2 1 87 ASN HD22 . . 4.930 4.811 4.434 4.939 0.009 2 0 "[ . 1 . 2]" 1
1549 1 39 ALA HA 1 83 MET HG2 . . 4.760 4.563 3.970 4.830 0.070 8 0 "[ . 1 . 2]" 1
1550 1 35 GLY HA3 1 83 MET HG2 . . 4.850 3.321 1.991 4.386 . 0 0 "[ . 1 . 2]" 1
1551 1 35 GLY HA3 1 83 MET HG3 . . 5.150 4.171 2.973 4.977 . 0 0 "[ . 1 . 2]" 1
1552 1 22 CYS HB2 1 98 LYS HA . . 4.900 4.261 3.143 5.280 0.380 15 0 "[ . 1 . 2]" 1
1553 1 22 CYS HB3 1 98 LYS HA . . 5.270 4.204 3.055 5.185 . 0 0 "[ . 1 . 2]" 1
1554 1 21 LEU HA 1 22 CYS HB3 . . 4.890 4.747 4.278 5.530 0.640 15 3 "[ .* 1 + - 2]" 1
1555 1 21 LEU HA 1 22 CYS HB2 . . 5.230 5.051 4.379 5.575 0.345 18 0 "[ . 1 . 2]" 1
1556 1 18 GLU HA 1 19 VAL HB . . 5.030 4.457 4.320 4.556 . 0 0 "[ . 1 . 2]" 1
1557 1 29 PHE HB2 1 58 ALA MB . . 4.850 4.400 4.188 4.575 . 0 0 "[ . 1 . 2]" 1
1558 1 68 ASP QB 1 103 VAL MG2 . . 4.470 3.199 2.595 3.640 . 0 0 "[ . 1 . 2]" 1
1559 1 33 LEU HA 1 50 CYS QB . . 5.500 3.696 3.296 4.976 . 0 0 "[ . 1 . 2]" 1
1560 1 52 ILE MG 1 56 SER HB3 . . 4.780 3.779 3.614 4.021 . 0 0 "[ . 1 . 2]" 1
1561 1 69 ARG HB3 1 104 GLU H . . 5.060 3.802 2.954 4.394 . 0 0 "[ . 1 . 2]" 1
1562 1 46 PRO HB2 1 69 ARG HB2 . . 4.540 4.434 3.582 4.623 0.083 17 0 "[ . 1 . 2]" 1
1563 1 69 ARG HG2 1 70 VAL H . . 5.100 4.481 3.104 5.188 0.088 17 0 "[ . 1 . 2]" 1
1564 1 69 ARG HG3 1 70 VAL H . . 5.170 4.084 3.326 5.061 . 0 0 "[ . 1 . 2]" 1
1565 1 48 LEU HA 1 69 ARG HG2 . . 5.190 5.078 3.894 5.408 0.218 14 0 "[ . 1 . 2]" 1
1566 1 48 LEU HA 1 69 ARG HG3 . . 5.350 3.735 3.230 5.402 0.052 8 0 "[ . 1 . 2]" 1
1567 1 43 LEU HB2 1 45 SER H . . 4.690 4.529 4.156 4.716 0.026 20 0 "[ . 1 . 2]" 1
1568 1 43 LEU HB3 1 44 SER H . . 5.030 3.634 3.379 3.843 . 0 0 "[ . 1 . 2]" 1
1569 1 43 LEU HB2 1 44 SER H . . 5.500 4.492 4.287 4.608 . 0 0 "[ . 1 . 2]" 1
1570 1 49 VAL MG1 1 66 VAL H . . 4.890 3.076 2.442 3.382 . 0 0 "[ . 1 . 2]" 1
1571 1 33 LEU HA 1 49 VAL MG1 . . 4.930 4.596 4.241 4.819 . 0 0 "[ . 1 . 2]" 1
1572 1 56 SER HG 1 59 GLU HA . . 5.110 4.545 4.409 4.712 . 0 0 "[ . 1 . 2]" 1
1573 1 52 ILE HG13 1 52 ILE MG . . 3.640 3.228 3.220 3.240 . 0 0 "[ . 1 . 2]" 1
1574 1 20 VAL HA 1 101 LEU H . . 4.030 3.955 3.607 4.044 0.014 12 0 "[ . 1 . 2]" 1
1575 1 21 LEU QD 1 58 ALA MB . . 3.430 2.077 1.761 2.851 . 0 0 "[ . 1 . 2]" 1
1576 1 31 LEU HA 1 52 ILE HG13 . . 5.360 3.564 2.895 4.362 . 0 0 "[ . 1 . 2]" 1
1577 1 52 ILE HG13 1 53 GLU H . . 5.310 4.731 4.438 5.082 . 0 0 "[ . 1 . 2]" 1
1578 1 52 ILE HG13 1 66 VAL H . . 5.500 4.529 3.045 5.224 . 0 0 "[ . 1 . 2]" 1
1579 1 33 LEU MD1 1 34 GLN H . . 5.020 4.548 4.254 4.970 . 0 0 "[ . 1 . 2]" 1
1580 1 33 LEU MD1 1 87 ASN H . . 4.900 3.877 3.606 4.479 . 0 0 "[ . 1 . 2]" 1
1581 1 36 GLY HA3 1 43 LEU QD . . 3.870 3.178 2.340 3.749 . 0 0 "[ . 1 . 2]" 1
1582 1 40 THR MG 1 41 GLU H . . 4.900 4.039 2.235 4.437 . 0 0 "[ . 1 . 2]" 1
1583 1 49 VAL HB 1 68 ASP QB . . 4.660 2.898 2.478 3.058 . 0 0 "[ . 1 . 2]" 1
1584 1 31 LEU HG 1 32 GLN H . . 5.240 4.213 3.822 4.684 . 0 0 "[ . 1 . 2]" 1
1585 1 29 PHE HB3 1 31 LEU HG . . 5.500 4.539 3.981 4.958 . 0 0 "[ . 1 . 2]" 1
1586 1 29 PHE HB2 1 31 LEU HG . . 5.470 3.966 3.214 4.501 . 0 0 "[ . 1 . 2]" 1
1587 1 19 VAL H 1 101 LEU QD . . 5.150 3.564 2.949 4.556 . 0 0 "[ . 1 . 2]" 1
1588 1 100 VAL HA 1 101 LEU QD . . 4.880 2.929 2.300 4.436 . 0 0 "[ . 1 . 2]" 1
1589 1 29 PHE HZ 1 97 HIS HA . . 5.080 4.343 3.668 4.725 . 0 0 "[ . 1 . 2]" 1
1590 1 23 GLY HA2 1 97 HIS HA . . 5.210 4.998 4.866 5.139 . 0 0 "[ . 1 . 2]" 1
1591 1 89 LEU MD1 1 90 LEU H . . 5.210 4.652 4.399 4.977 . 0 0 "[ . 1 . 2]" 1
1592 1 89 LEU MD2 1 90 LEU H . . 5.000 4.823 4.644 4.927 . 0 0 "[ . 1 . 2]" 1
1593 1 92 ASP HB3 1 95 LEU MD1 . . 5.330 4.728 4.417 4.970 . 0 0 "[ . 1 . 2]" 1
1594 1 21 LEU HB3 1 21 LEU QD . . 3.190 2.204 2.062 2.471 . 0 0 "[ . 1 . 2]" 1
1595 1 21 LEU HB2 1 21 LEU QD . . 3.240 2.258 2.019 2.446 . 0 0 "[ . 1 . 2]" 1
1596 1 21 LEU HG 1 22 CYS H . . 5.500 4.615 2.736 5.280 . 0 0 "[ . 1 . 2]" 1
1597 1 21 LEU HB2 1 57 PRO HB2 . . 5.310 4.287 3.632 4.738 . 0 0 "[ . 1 . 2]" 1
1598 1 29 PHE QD 1 90 LEU HB3 . . 4.930 3.394 2.673 4.076 . 0 0 "[ . 1 . 2]" 1
1599 1 89 LEU MD2 1 92 ASP H . . 5.330 5.065 4.592 5.311 . 0 0 "[ . 1 . 2]" 1
1600 1 88 GLN QG 1 89 LEU MD2 . . 4.970 4.231 3.741 4.963 . 0 0 "[ . 1 . 2]" 1
1601 1 89 LEU MD2 1 92 ASP HB3 . . 5.100 3.983 3.447 4.247 . 0 0 "[ . 1 . 2]" 1
1602 1 89 LEU MD2 1 92 ASP HB2 . . 4.840 4.459 3.774 4.870 0.030 17 0 "[ . 1 . 2]" 1
1603 1 100 VAL HA 1 101 LEU HG . . 5.500 4.780 3.211 5.441 . 0 0 "[ . 1 . 2]" 1
1604 1 100 VAL HA 1 101 LEU HB2 . . 5.260 4.795 4.408 4.935 . 0 0 "[ . 1 . 2]" 1
1605 1 100 VAL HA 1 101 LEU HB3 . . 5.500 5.607 5.553 5.661 0.161 17 0 "[ . 1 . 2]" 1
1606 1 19 VAL HA 1 101 LEU HB2 . . 5.500 5.154 4.574 5.419 . 0 0 "[ . 1 . 2]" 1
1607 1 72 SER HA 1 73 ILE HB . . 5.070 4.480 4.367 4.624 . 0 0 "[ . 1 . 2]" 1
1608 1 73 ILE HB 1 74 ASN H . . 5.500 4.465 4.322 4.520 . 0 0 "[ . 1 . 2]" 1
1609 1 73 ILE HG13 1 74 ASN H . . 5.500 5.027 4.926 5.112 . 0 0 "[ . 1 . 2]" 1
1610 1 72 SER HA 1 73 ILE HG12 . . 5.500 4.944 4.668 5.202 . 0 0 "[ . 1 . 2]" 1
1611 1 73 ILE HG12 1 74 ASN H . . 5.470 4.585 4.475 4.698 . 0 0 "[ . 1 . 2]" 1
1612 1 73 ILE MG 1 74 ASN HD22 . . 4.790 4.405 2.510 4.802 0.012 19 0 "[ . 1 . 2]" 1
1613 1 73 ILE MG 1 99 VAL HA . . 5.340 4.859 4.659 5.206 . 0 0 "[ . 1 . 2]" 1
1614 1 73 ILE MD 1 78 THR HG1 . . 5.180 4.881 4.314 5.162 . 0 0 "[ . 1 . 2]" 1
1615 1 86 ALA MB 1 87 ASN HA . . 4.650 3.696 3.636 3.793 . 0 0 "[ . 1 . 2]" 1
1616 1 19 VAL HB 1 101 LEU HG . . 4.720 3.932 3.482 4.442 . 0 0 "[ . 1 . 2]" 1
1617 1 20 VAL MG1 1 98 LYS HA . . 4.890 3.863 3.677 4.183 . 0 0 "[ . 1 . 2]" 1
1618 1 65 GLN HA 1 66 VAL HB . . 5.040 4.796 4.624 5.043 0.003 19 0 "[ . 1 . 2]" 1
1619 1 52 ILE MD 1 66 VAL HB . . 5.300 4.702 4.161 5.308 0.008 19 0 "[ . 1 . 2]" 1
1620 1 63 LEU QD 1 105 PHE HZ . . 4.790 4.110 3.190 4.465 . 0 0 "[ . 1 . 2]" 1
1621 1 99 VAL MG2 1 101 LEU H . . 5.150 4.641 4.415 4.859 . 0 0 "[ . 1 . 2]" 1
1622 1 99 VAL MG2 1 101 LEU HA . . 5.120 4.433 4.197 4.618 . 0 0 "[ . 1 . 2]" 1
1623 1 21 LEU HA 1 99 VAL MG1 . . 4.990 3.970 3.702 4.327 . 0 0 "[ . 1 . 2]" 1
1624 1 20 VAL HA 1 99 VAL MG1 . . 4.830 3.753 3.391 4.201 . 0 0 "[ . 1 . 2]" 1
1625 1 29 PHE HB3 1 99 VAL MG1 . . 4.970 4.146 3.389 4.519 . 0 0 "[ . 1 . 2]" 1
1626 1 29 PHE HB2 1 99 VAL MG1 . . 5.500 4.510 3.712 4.872 . 0 0 "[ . 1 . 2]" 1
1627 1 29 PHE HB3 1 90 LEU QD . . 4.910 3.903 3.430 4.294 . 0 0 "[ . 1 . 2]" 1
1628 1 29 PHE HB2 1 90 LEU QD . . 4.990 3.267 2.725 3.708 . 0 0 "[ . 1 . 2]" 1
1629 1 103 VAL HB 1 105 PHE QD . . 5.430 2.864 2.695 3.094 . 0 0 "[ . 1 . 2]" 1
1630 1 17 THR HB 1 103 VAL HB . . 5.170 4.052 3.532 4.475 . 0 0 "[ . 1 . 2]" 1
1631 1 103 VAL HB 1 104 GLU H . . 4.000 3.519 3.276 3.757 . 0 0 "[ . 1 . 2]" 1
1632 1 68 ASP QB 1 69 ARG HA . . 5.300 4.205 3.904 4.594 . 0 0 "[ . 1 . 2]" 1
1633 1 68 ASP QB 1 103 VAL HB . . 4.760 4.563 4.126 4.668 . 0 0 "[ . 1 . 2]" 1
1634 1 95 LEU HA 1 97 HIS HD2 . . 5.120 3.436 2.902 4.282 . 0 0 "[ . 1 . 2]" 1
1635 1 25 PRO HD3 1 95 LEU HA . . 4.730 4.317 3.808 4.658 . 0 0 "[ . 1 . 2]" 1
1636 1 94 ALA H 1 95 LEU MD2 . . 5.110 4.935 4.593 5.092 . 0 0 "[ . 1 . 2]" 1
1637 1 46 PRO HA 1 71 LEU HA . . 5.080 4.338 4.142 4.525 . 0 0 "[ . 1 . 2]" 1
1638 1 71 LEU HA 1 78 THR HG1 . . 3.430 3.367 3.165 3.441 0.011 16 0 "[ . 1 . 2]" 1
1639 1 16 THR HA 1 71 LEU MD1 . . 4.970 4.116 3.740 4.482 . 0 0 "[ . 1 . 2]" 1
1640 1 63 LEU HB3 1 64 LEU H . . 4.910 3.411 2.771 3.699 . 0 0 "[ . 1 . 2]" 1
1641 1 48 LEU HA 1 49 VAL HB . . 4.760 4.651 4.538 4.748 . 0 0 "[ . 1 . 2]" 1
1642 1 33 LEU MD2 1 48 LEU HA . . 4.980 4.036 3.723 4.272 . 0 0 "[ . 1 . 2]" 1
1643 1 48 LEU HB2 1 67 GLY HA2 . . 4.870 3.739 3.481 4.011 . 0 0 "[ . 1 . 2]" 1
1644 1 48 LEU HB2 1 67 GLY H . . 5.500 3.931 3.649 4.172 . 0 0 "[ . 1 . 2]" 1
1645 1 34 GLN HB3 1 48 LEU HB3 . . 5.020 4.423 3.840 5.063 0.043 20 0 "[ . 1 . 2]" 1
1646 1 43 LEU HG 1 83 MET H . . 5.330 2.566 2.280 2.968 . 0 0 "[ . 1 . 2]" 1
1647 1 34 GLN H 1 48 LEU HG . . 5.410 5.111 4.758 5.581 0.171 16 0 "[ . 1 . 2]" 1
1648 1 48 LEU QD 1 69 ARG H . . 4.910 3.713 2.203 4.367 . 0 0 "[ . 1 . 2]" 1
1649 1 48 LEU QD 1 68 ASP H . . 5.160 4.375 3.212 4.840 . 0 0 "[ . 1 . 2]" 1
1650 1 34 GLN H 1 48 LEU QD . . 4.930 4.607 4.154 4.779 . 0 0 "[ . 1 . 2]" 1
1651 1 48 LEU QD 1 67 GLY H . . 4.920 4.077 3.449 4.278 . 0 0 "[ . 1 . 2]" 1
1652 1 34 GLN HE22 1 48 LEU QD . . 5.140 3.118 1.821 4.492 . 0 0 "[ . 1 . 2]" 1
1653 1 43 LEU HB2 1 80 ASP H . . 5.410 4.996 4.701 5.432 0.022 12 0 "[ . 1 . 2]" 1
1654 1 33 LEU HB2 1 47 PRO HB3 . . 4.930 4.816 4.414 4.991 0.061 19 0 "[ . 1 . 2]" 1
1655 1 33 LEU HG 1 34 GLN H . . 5.470 4.885 4.642 5.127 . 0 0 "[ . 1 . 2]" 1
1656 1 31 LEU HA 1 58 ALA MB . . 4.390 3.153 2.803 3.393 . 0 0 "[ . 1 . 2]" 1
1657 1 52 ILE HB 1 53 GLU H . . 5.150 4.246 4.093 4.475 . 0 0 "[ . 1 . 2]" 1
1658 1 52 ILE HG12 1 53 GLU H . . 5.250 3.943 3.716 4.245 . 0 0 "[ . 1 . 2]" 1
1659 1 52 ILE H 1 52 ILE HG12 . . 5.060 4.447 4.064 4.672 . 0 0 "[ . 1 . 2]" 1
1660 1 31 LEU HA 1 52 ILE HG12 . . 5.220 2.802 2.370 3.202 . 0 0 "[ . 1 . 2]" 1
1661 1 52 ILE MD 1 53 GLU H . . 4.900 4.865 4.792 4.954 0.054 19 0 "[ . 1 . 2]" 1
1662 1 52 ILE MD 1 59 GLU H . . 5.080 4.741 4.198 5.084 0.004 1 0 "[ . 1 . 2]" 1
1663 1 52 ILE MD 1 64 LEU HA . . 4.940 4.079 3.471 4.319 . 0 0 "[ . 1 . 2]" 1
1664 1 21 LEU HB2 1 99 VAL H . . 5.170 4.133 3.762 4.472 . 0 0 "[ . 1 . 2]" 1
1665 1 21 LEU HB3 1 99 VAL H . . 5.500 5.034 4.198 5.491 . 0 0 "[ . 1 . 2]" 1
1666 1 21 LEU HG 1 29 PHE QD . . 5.500 5.058 3.761 5.568 0.068 4 0 "[ . 1 . 2]" 1
1667 1 37 ILE HA 1 38 PHE QD . . 5.450 4.936 3.963 5.392 . 0 0 "[ . 1 . 2]" 1
1668 1 37 ILE HB 1 38 PHE QD . . 5.060 3.058 2.155 4.915 . 0 0 "[ . 1 . 2]" 1
1669 1 37 ILE HG12 1 38 PHE QD . . 5.370 5.211 2.971 6.165 0.795 11 2 "[ . 1+ . -]" 1
1670 1 73 ILE HA 1 100 VAL H . . 5.010 4.755 4.474 5.023 0.013 14 0 "[ . 1 . 2]" 1
1671 1 73 ILE MD 1 86 ALA H . . 5.150 4.742 4.243 5.150 0.000 5 0 "[ . 1 . 2]" 1
1672 1 73 ILE HB 1 76 ILE HB . . 4.810 3.659 3.238 3.989 . 0 0 "[ . 1 . 2]" 1
1673 1 59 GLU H 1 60 ARG HA . . 5.040 4.872 4.777 5.002 . 0 0 "[ . 1 . 2]" 1
1674 1 59 GLU H 1 60 ARG HG3 . . 5.500 4.628 4.398 4.862 . 0 0 "[ . 1 . 2]" 1
1675 1 59 GLU H 1 60 ARG HG2 . . 5.490 5.162 4.750 5.471 . 0 0 "[ . 1 . 2]" 1
1676 1 60 ARG HG2 1 61 CYS H . . 5.410 4.911 4.807 4.994 . 0 0 "[ . 1 . 2]" 1
1677 1 91 ARG HD2 1 92 ASP H . . 5.500 5.380 5.074 5.508 0.008 7 0 "[ . 1 . 2]" 1
1678 1 88 GLN HE21 1 91 ARG HB2 . . 5.160 3.247 2.881 4.151 . 0 0 "[ . 1 . 2]" 1
1679 1 88 GLN HE21 1 91 ARG HB3 . . 5.370 2.883 2.494 4.552 . 0 0 "[ . 1 . 2]" 1
1680 1 82 THR H 1 85 GLU HA . . 4.950 4.853 4.518 4.967 0.017 14 0 "[ . 1 . 2]" 1
1681 1 88 GLN QG 1 89 LEU HA . . 4.910 3.610 3.132 4.439 . 0 0 "[ . 1 . 2]" 1
1682 1 85 GLU HA 1 88 GLN QG . . 4.240 3.784 3.609 4.206 . 0 0 "[ . 1 . 2]" 1
1683 1 82 THR MG 1 85 GLU HG2 . . 5.270 4.790 4.430 5.140 . 0 0 "[ . 1 . 2]" 1
1684 1 82 THR MG 1 85 GLU HG3 . . 5.060 3.641 3.218 4.034 . 0 0 "[ . 1 . 2]" 1
1685 1 77 ALA MB 1 79 GLU HB3 . . 5.050 4.687 4.471 5.021 . 0 0 "[ . 1 . 2]" 1
1686 1 79 GLU HG2 1 80 ASP H . . 5.000 4.735 4.411 5.156 0.156 12 0 "[ . 1 . 2]" 1
1687 1 79 GLU HG3 1 80 ASP H . . 5.120 4.543 4.165 5.129 0.009 3 0 "[ . 1 . 2]" 1
1688 1 45 SER H 1 79 GLU HG2 . . 5.500 4.705 3.763 5.437 . 0 0 "[ . 1 . 2]" 1
1689 1 78 THR HG1 1 79 GLU HG2 . . 4.950 3.557 2.899 4.629 . 0 0 "[ . 1 . 2]" 1
1690 1 78 THR HG1 1 79 GLU HG3 . . 4.750 3.685 2.890 4.199 . 0 0 "[ . 1 . 2]" 1
1691 1 46 PRO HB3 1 79 GLU HG2 . . 4.930 3.599 3.136 4.388 . 0 0 "[ . 1 . 2]" 1
1692 1 77 ALA MB 1 79 GLU HG2 . . 4.820 4.734 4.201 5.004 0.184 15 0 "[ . 1 . 2]" 1
1693 1 77 ALA MB 1 79 GLU HG3 . . 5.000 3.749 3.274 4.490 . 0 0 "[ . 1 . 2]" 1
1694 1 71 LEU MD2 1 104 GLU HG2 . . 5.080 4.233 3.961 4.525 . 0 0 "[ . 1 . 2]" 1
1695 1 71 LEU MD2 1 104 GLU HG3 . . 5.150 3.573 2.993 4.510 . 0 0 "[ . 1 . 2]" 1
1696 1 56 SER HG 1 59 GLU QG . . 4.860 4.840 4.766 4.891 0.031 18 0 "[ . 1 . 2]" 1
1697 1 53 GLU HA 1 54 PRO HG2 . . 4.620 4.525 4.493 4.580 . 0 0 "[ . 1 . 2]" 1
1698 1 52 ILE MG 1 53 GLU HB2 . . 5.170 3.770 3.614 4.014 . 0 0 "[ . 1 . 2]" 1
1699 1 52 ILE MG 1 53 GLU HB3 . . 5.280 4.522 4.446 4.653 . 0 0 "[ . 1 . 2]" 1
1700 1 53 GLU HG3 1 56 SER HG . . 5.450 4.947 4.853 5.088 . 0 0 "[ . 1 . 2]" 1
1701 1 53 GLU HG2 1 56 SER HG . . 5.390 5.403 5.374 5.429 0.039 20 0 "[ . 1 . 2]" 1
1702 1 53 GLU H 1 56 SER HB3 . . 5.270 3.480 3.307 3.786 . 0 0 "[ . 1 . 2]" 1
1703 1 56 SER HB3 1 59 GLU HB3 . . 5.280 4.063 3.708 4.257 . 0 0 "[ . 1 . 2]" 1
1704 1 56 SER HB3 1 58 ALA MB . . 5.310 4.590 4.490 4.668 . 0 0 "[ . 1 . 2]" 1
1705 1 53 GLU HG3 1 56 SER HB3 . . 4.820 4.451 4.275 4.632 . 0 0 "[ . 1 . 2]" 1
1706 1 53 GLU HG2 1 56 SER HB3 . . 4.810 4.587 4.514 4.681 . 0 0 "[ . 1 . 2]" 1
1707 1 52 ILE HA 1 53 GLU HG3 . . 5.070 4.819 4.669 5.077 0.007 19 0 "[ . 1 . 2]" 1
1708 1 52 ILE HA 1 53 GLU HG2 . . 5.500 5.088 4.864 5.365 . 0 0 "[ . 1 . 2]" 1
1709 1 41 GLU HA 1 82 THR MG . . 4.000 3.123 2.414 4.005 0.005 15 0 "[ . 1 . 2]" 1
1710 1 41 GLU QB 1 82 THR MG . . 4.960 4.093 3.752 4.605 . 0 0 "[ . 1 . 2]" 1
1711 1 41 GLU QG 1 82 THR MG . . 4.540 4.293 3.716 4.546 0.006 17 0 "[ . 1 . 2]" 1
1712 1 18 GLU HA 1 101 LEU H . . 5.070 4.011 3.854 4.168 . 0 0 "[ . 1 . 2]" 1
1713 1 18 GLU HA 1 19 VAL MG2 . . 4.150 3.805 3.606 4.177 0.027 8 0 "[ . 1 . 2]" 1
1714 1 18 GLU HG2 1 101 LEU H . . 5.500 4.198 3.723 4.552 . 0 0 "[ . 1 . 2]" 1
1715 1 18 GLU HG3 1 101 LEU H . . 5.500 3.596 3.219 4.145 . 0 0 "[ . 1 . 2]" 1
1716 1 18 GLU HG3 1 102 GLU HA . . 5.090 4.455 4.280 4.660 . 0 0 "[ . 1 . 2]" 1
1717 1 18 GLU HG2 1 100 VAL HA . . 5.380 4.142 3.441 4.518 . 0 0 "[ . 1 . 2]" 1
1718 1 18 GLU HG3 1 100 VAL HA . . 5.400 4.037 3.693 4.455 . 0 0 "[ . 1 . 2]" 1
1719 1 71 LEU H 1 102 GLU HB3 . . 5.390 3.667 3.310 3.919 . 0 0 "[ . 1 . 2]" 1
1720 1 71 LEU H 1 102 GLU HB2 . . 5.470 5.263 4.948 5.475 0.005 13 0 "[ . 1 . 2]" 1
1721 1 16 THR HB 1 102 GLU HB3 . . 5.030 5.288 4.884 5.592 0.562 15 4 "[ . * 1 + -* 2]" 1
1722 1 72 SER HB3 1 102 GLU HB3 . . 5.500 4.342 4.147 4.672 . 0 0 "[ . 1 . 2]" 1
1723 1 72 SER HB2 1 102 GLU HB3 . . 5.120 4.476 4.289 4.628 . 0 0 "[ . 1 . 2]" 1
1724 1 72 SER HB2 1 102 GLU HB2 . . 5.350 5.113 4.845 5.362 0.012 13 0 "[ . 1 . 2]" 1
1725 1 16 THR MG 1 102 GLU HB2 . . 4.970 5.087 4.926 5.210 0.240 2 0 "[ . 1 . 2]" 1
1726 1 72 SER HG 1 102 GLU HG2 . . 4.630 3.528 2.983 3.898 . 0 0 "[ . 1 . 2]" 1
1727 1 72 SER HG 1 102 GLU HG3 . . 4.710 4.596 4.188 4.773 0.063 3 0 "[ . 1 . 2]" 1
1728 1 104 GLU HB3 1 105 PHE H . . 5.220 3.957 3.718 4.328 . 0 0 "[ . 1 . 2]" 1
1729 1 103 VAL HA 1 104 GLU HB3 . . 5.500 4.878 4.515 5.082 . 0 0 "[ . 1 . 2]" 1
1730 1 103 VAL HA 1 104 GLU HB2 . . 5.300 4.143 4.005 4.409 . 0 0 "[ . 1 . 2]" 1
1731 1 69 ARG HB3 1 104 GLU HB2 . . 5.040 4.400 3.864 4.934 . 0 0 "[ . 1 . 2]" 1
1732 1 19 VAL HA 1 20 VAL HB . . 4.490 4.437 4.286 4.510 0.020 17 0 "[ . 1 . 2]" 1
1733 1 34 GLN H 1 47 PRO HB3 . . 5.170 3.469 3.186 4.289 . 0 0 "[ . 1 . 2]" 1
1734 1 34 GLN HA 1 34 GLN HG2 . . 4.240 3.419 2.691 3.748 . 0 0 "[ . 1 . 2]" 1
1735 1 34 GLN HG2 1 48 LEU QD . . 5.460 2.898 2.122 4.933 . 0 0 "[ . 1 . 2]" 1
1736 1 34 GLN HG3 1 48 LEU QD . . 5.200 4.034 3.469 5.119 . 0 0 "[ . 1 . 2]" 1
1737 1 33 LEU HA 1 47 PRO HB2 . . 5.150 3.583 3.374 4.057 . 0 0 "[ . 1 . 2]" 1
1738 1 37 ILE MG 1 38 PHE HZ . . 5.500 4.846 4.029 5.477 . 0 0 "[ . 1 . 2]" 1
1739 1 39 ALA MB 1 40 THR MG . . 3.720 2.907 2.405 3.705 . 0 0 "[ . 1 . 2]" 1
1740 1 39 ALA MB 1 40 THR HA . . 4.720 3.834 3.697 3.977 . 0 0 "[ . 1 . 2]" 1
1741 1 40 THR HA 1 41 GLU QG . . 4.840 4.376 3.745 4.840 0.000 17 0 "[ . 1 . 2]" 1
1742 1 25 PRO HA 1 28 GLY H . . 4.870 3.621 3.164 3.937 . 0 0 "[ . 1 . 2]" 1
1743 1 24 ASP HA 1 25 PRO HG2 . . 4.880 4.829 4.719 4.863 . 0 0 "[ . 1 . 2]" 1
1744 1 25 PRO HG2 1 95 LEU MD2 . . 4.210 3.664 2.906 4.021 . 0 0 "[ . 1 . 2]" 1
1745 1 24 ASP HA 1 25 PRO HG3 . . 4.830 4.410 4.335 4.435 . 0 0 "[ . 1 . 2]" 1
1746 1 26 LEU HB2 1 27 SER HA . . 4.940 4.951 4.825 4.984 0.044 16 0 "[ . 1 . 2]" 1
1747 1 29 PHE HA 1 58 ALA H . . 4.870 4.795 4.276 4.926 0.056 13 0 "[ . 1 . 2]" 1
1748 1 21 LEU QD 1 29 PHE HA . . 4.710 4.413 3.391 4.631 . 0 0 "[ . 1 . 2]" 1
1749 1 30 GLY HA3 1 53 GLU H . . 4.840 3.297 3.132 3.496 . 0 0 "[ . 1 . 2]" 1
1750 1 30 GLY HA2 1 56 SER HB2 . . 3.820 3.534 3.450 3.644 . 0 0 "[ . 1 . 2]" 1
1751 1 31 LEU H 1 31 LEU MD2 . . 3.660 3.611 3.476 3.678 0.018 18 0 "[ . 1 . 2]" 1
1752 1 32 GLN HB3 1 51 PHE QD . . 5.170 4.127 3.955 4.475 . 0 0 "[ . 1 . 2]" 1
1753 1 31 LEU HA 1 32 GLN QG . . 5.020 4.460 4.174 4.676 . 0 0 "[ . 1 . 2]" 1
1754 1 51 PHE HZ 1 53 GLU HG3 . . 5.500 4.734 4.424 4.928 . 0 0 "[ . 1 . 2]" 1
1755 1 51 PHE HZ 1 53 GLU HG2 . . 5.500 3.183 2.896 3.292 . 0 0 "[ . 1 . 2]" 1
1756 1 51 PHE QE 1 54 PRO HD2 . . 5.100 4.254 4.063 4.418 . 0 0 "[ . 1 . 2]" 1
1757 1 32 GLN QG 1 51 PHE HB3 . . 4.230 2.824 2.630 2.924 . 0 0 "[ . 1 . 2]" 1
1758 1 32 GLN QG 1 51 PHE HB2 . . 4.460 4.377 4.135 4.471 0.011 19 0 "[ . 1 . 2]" 1
1759 1 61 CYS QB 1 63 LEU HG . . 4.920 4.042 3.078 4.788 . 0 0 "[ . 1 . 2]" 1
1760 1 32 GLN H 1 51 PHE QD . . 5.280 3.954 3.681 4.276 . 0 0 "[ . 1 . 2]" 1
1761 1 69 ARG HA 1 70 VAL HB . . 4.970 4.437 4.233 4.537 . 0 0 "[ . 1 . 2]" 1
1762 1 49 VAL H 1 70 VAL MG2 . . 4.420 4.256 3.959 4.426 0.006 4 0 "[ . 1 . 2]" 1
1763 1 48 LEU HA 1 70 VAL MG2 . . 4.580 3.648 3.217 4.036 . 0 0 "[ . 1 . 2]" 1
1764 1 70 VAL MG1 1 72 SER HA . . 4.240 3.681 3.518 3.778 . 0 0 "[ . 1 . 2]" 1
1765 1 47 PRO QD 1 70 VAL MG1 . . 3.000 3.135 2.549 3.547 0.547 4 1 "[ +. 1 . 2]" 1
1766 1 35 GLY HA2 1 48 LEU H . . 4.860 4.228 3.791 4.559 . 0 0 "[ . 1 . 2]" 1
1767 1 47 PRO QD 1 70 VAL HB . . 4.000 2.637 2.316 3.149 . 0 0 "[ . 1 . 2]" 1
1768 1 48 LEU HA 1 70 VAL H . . 4.160 3.575 3.176 4.133 . 0 0 "[ . 1 . 2]" 1
1769 1 35 GLY HA2 1 83 MET ME . . 4.360 4.295 3.742 4.379 0.019 17 0 "[ . 1 . 2]" 1
1770 1 35 GLY HA3 1 83 MET ME . . 4.290 3.013 2.515 3.211 . 0 0 "[ . 1 . 2]" 1
1771 1 29 PHE QD 1 57 PRO HB3 . . 5.110 4.157 3.631 4.435 . 0 0 "[ . 1 . 2]" 1
1772 1 29 PHE HA 1 57 PRO HB3 . . 4.840 4.640 4.331 4.827 . 0 0 "[ . 1 . 2]" 1
1773 1 21 LEU HB3 1 57 PRO HB3 . . 4.650 4.200 3.530 4.756 0.106 20 0 "[ . 1 . 2]" 1
1774 1 22 CYS H 1 57 PRO HB2 . . 5.110 2.938 2.349 4.063 . 0 0 "[ . 1 . 2]" 1
1775 1 29 PHE QD 1 57 PRO HB2 . . 5.100 3.611 3.374 3.989 . 0 0 "[ . 1 . 2]" 1
1776 1 57 PRO HG2 1 59 GLU H . . 5.500 5.134 5.042 5.215 . 0 0 "[ . 1 . 2]" 1
1777 1 29 PHE QD 1 57 PRO HG3 . . 5.010 3.002 2.380 3.587 . 0 0 "[ . 1 . 2]" 1
1778 1 56 SER HA 1 57 PRO HG3 . . 4.930 4.542 4.507 4.563 . 0 0 "[ . 1 . 2]" 1
1779 1 56 SER HA 1 57 PRO HG2 . . 5.000 5.003 4.961 5.026 0.026 20 0 "[ . 1 . 2]" 1
1780 1 23 GLY HA2 1 57 PRO HG2 . . 5.500 5.227 4.483 5.533 0.033 8 0 "[ . 1 . 2]" 1
1781 1 21 LEU HB3 1 57 PRO HG2 . . 5.350 3.532 3.097 4.637 . 0 0 "[ . 1 . 2]" 1
1782 1 21 LEU HB3 1 57 PRO HG3 . . 5.500 4.490 3.969 5.214 . 0 0 "[ . 1 . 2]" 1
1783 1 21 LEU QD 1 57 PRO HG3 . . 5.430 4.273 3.314 4.700 . 0 0 "[ . 1 . 2]" 1
1784 1 21 LEU QD 1 57 PRO HG2 . . 5.290 3.139 2.210 3.688 . 0 0 "[ . 1 . 2]" 1
1785 1 29 PHE HA 1 57 PRO HD3 . . 4.660 3.867 3.425 4.166 . 0 0 "[ . 1 . 2]" 1
1786 1 58 ALA HA 1 60 ARG H . . 5.470 4.597 4.426 4.858 . 0 0 "[ . 1 . 2]" 1
1787 1 57 PRO HB2 1 58 ALA HA . . 5.060 4.032 3.980 4.081 . 0 0 "[ . 1 . 2]" 1
1788 1 60 ARG HA 1 60 ARG HD3 . . 4.440 3.624 3.285 3.813 . 0 0 "[ . 1 . 2]" 1
1789 1 20 VAL MG2 1 98 LYS HE3 . . 4.920 3.099 2.419 4.513 . 0 0 "[ . 1 . 2]" 1
1790 1 35 GLY HA3 1 47 PRO HB2 . . 5.060 4.322 3.862 4.619 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 64.086
_Distance_constraint_stats_list.Viol_max 0.569
_Distance_constraint_stats_list.Viol_rms 0.1398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0801
_Distance_constraint_stats_list.Viol_average_violations_only 0.2136
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PRO 3.204 0.569 19 1 "[ . 1 . +2]"
1 70 VAL 3.204 0.569 19 1 "[ . 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 44 SER H 1 44 SER HA . . 3.000 2.833 2.806 2.873 . 0 0 "[ . 1 . 2]" 2
2 1 47 PRO QD 1 70 VAL MG2 . . 4.000 4.143 3.897 4.569 0.569 19 1 "[ . 1 . +2]" 2
stop_
save_
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