NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
453012 |
2yqr   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yqr
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 2346
_Distance_constraint_stats_list.Viol_count 971
_Distance_constraint_stats_list.Viol_total 101.215
_Distance_constraint_stats_list.Viol_max 0.044
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0052
_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 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 TYR 0.195 0.019 5 0 "[ . 1 . 2]"
1 12 VAL 0.307 0.017 9 0 "[ . 1 . 2]"
1 13 GLN 0.103 0.014 5 0 "[ . 1 . 2]"
1 14 ASP 0.167 0.017 5 0 "[ . 1 . 2]"
1 15 LYS 0.025 0.010 5 0 "[ . 1 . 2]"
1 16 LEU 0.233 0.012 13 0 "[ . 1 . 2]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 0.001 0.001 5 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.015 0.007 5 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 2 0 "[ . 1 . 2]"
1 26 THR 0.000 0.000 2 0 "[ . 1 . 2]"
1 27 PHE 0.001 0.000 14 0 "[ . 1 . 2]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.038 0.007 7 0 "[ . 1 . 2]"
1 30 LYS 0.018 0.004 13 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 14 0 "[ . 1 . 2]"
1 32 LYS 0.076 0.005 18 0 "[ . 1 . 2]"
1 33 VAL 0.037 0.007 7 0 "[ . 1 . 2]"
1 34 GLU 0.345 0.012 3 0 "[ . 1 . 2]"
1 35 GLY 0.188 0.010 1 0 "[ . 1 . 2]"
1 36 PRO 0.048 0.003 13 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.072 0.003 13 0 "[ . 1 . 2]"
1 40 TYR 0.436 0.010 1 0 "[ . 1 . 2]"
1 41 LEU 0.602 0.013 18 0 "[ . 1 . 2]"
1 42 GLN 0.008 0.002 5 0 "[ . 1 . 2]"
1 43 HIS 0.051 0.012 6 0 "[ . 1 . 2]"
1 44 ILE 0.136 0.010 17 0 "[ . 1 . 2]"
1 45 GLN 0.029 0.002 18 0 "[ . 1 . 2]"
1 46 ILE 0.012 0.001 18 0 "[ . 1 . 2]"
1 47 GLU 0.014 0.008 19 0 "[ . 1 . 2]"
1 48 THR 0.031 0.002 4 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 0.026 0.002 4 0 "[ . 1 . 2]"
1 51 LYS 0.099 0.010 17 0 "[ . 1 . 2]"
1 52 VAL 0.045 0.012 18 0 "[ . 1 . 2]"
1 53 PHE 0.007 0.002 6 0 "[ . 1 . 2]"
1 54 LEU 0.093 0.007 7 0 "[ . 1 . 2]"
1 55 ARG 0.002 0.002 14 0 "[ . 1 . 2]"
1 56 GLY 0.006 0.002 17 0 "[ . 1 . 2]"
1 57 LYS 0.002 0.001 19 0 "[ . 1 . 2]"
1 58 GLY 0.010 0.003 13 0 "[ . 1 . 2]"
1 59 SER 0.030 0.003 14 0 "[ . 1 . 2]"
1 60 GLY 0.003 0.001 10 0 "[ . 1 . 2]"
1 61 CYS 0.004 0.001 5 0 "[ . 1 . 2]"
1 62 ILE 0.795 0.034 14 0 "[ . 1 . 2]"
1 63 GLU 0.001 0.001 19 0 "[ . 1 . 2]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.050 0.006 9 0 "[ . 1 . 2]"
1 67 GLY 0.631 0.034 14 0 "[ . 1 . 2]"
1 68 ARG 0.177 0.008 2 0 "[ . 1 . 2]"
1 69 GLU 0.040 0.003 14 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PHE 0.000 0.000 4 0 "[ . 1 . 2]"
1 72 GLU 0.065 0.012 16 0 "[ . 1 . 2]"
1 73 PRO 0.059 0.012 16 0 "[ . 1 . 2]"
1 74 MET 0.062 0.007 7 0 "[ . 1 . 2]"
1 75 TYR 0.019 0.007 4 0 "[ . 1 . 2]"
1 76 ILE 0.065 0.009 4 0 "[ . 1 . 2]"
1 77 TYR 0.013 0.002 1 0 "[ . 1 . 2]"
1 78 ILE 0.192 0.012 18 0 "[ . 1 . 2]"
1 79 SER 0.241 0.019 5 0 "[ . 1 . 2]"
1 80 HIS 0.325 0.014 3 0 "[ . 1 . 2]"
1 81 PRO 0.163 0.012 20 0 "[ . 1 . 2]"
1 82 LYS 0.042 0.004 13 0 "[ . 1 . 2]"
1 83 PRO 0.086 0.017 9 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.225 0.012 1 0 "[ . 1 . 2]"
1 86 LEU 1.163 0.044 2 0 "[ . 1 . 2]"
1 87 ALA 1.079 0.044 2 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 20 0 "[ . 1 . 2]"
1 89 ALA 0.148 0.010 17 0 "[ . 1 . 2]"
1 90 LYS 0.194 0.012 13 0 "[ . 1 . 2]"
1 91 LYS 0.019 0.002 14 0 "[ . 1 . 2]"
1 92 LEU 0.111 0.012 6 0 "[ . 1 . 2]"
1 93 CYS 0.002 0.001 8 0 "[ . 1 . 2]"
1 94 GLU 0.001 0.001 6 0 "[ . 1 . 2]"
1 95 ASN 0.001 0.001 6 0 "[ . 1 . 2]"
1 96 LEU 0.023 0.007 6 0 "[ . 1 . 2]"
1 97 LEU 0.002 0.001 7 0 "[ . 1 . 2]"
1 98 GLN 0.015 0.008 1 0 "[ . 1 . 2]"
1 99 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 VAL 0.017 0.007 5 0 "[ . 1 . 2]"
1 101 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 13 0 "[ . 1 . 2]"
1 104 TYR 0.005 0.004 20 0 "[ . 1 . 2]"
1 105 SER 0.000 0.000 13 0 "[ . 1 . 2]"
1 106 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLN 0.001 0.001 3 0 "[ . 1 . 2]"
1 111 ILE 0.005 0.004 3 0 "[ . 1 . 2]"
1 112 ASN 0.004 0.004 3 0 "[ . 1 . 2]"
1 113 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 GLY 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 18 VAL H 1 75 TYR HA . . 3.690 2.630 2.516 2.754 . 0 0 "[ . 1 . 2]" 1
2 1 17 PHE HA 1 18 VAL H . . 3.360 2.147 2.139 2.168 . 0 0 "[ . 1 . 2]" 1
3 1 18 VAL H 1 18 VAL HB . . 3.740 3.627 3.610 3.646 . 0 0 "[ . 1 . 2]" 1
4 1 18 VAL H 1 18 VAL MG1 . . 3.380 2.315 2.154 2.408 . 0 0 "[ . 1 . 2]" 1
5 1 27 PHE H 1 27 PHE QD . . 4.420 4.184 4.178 4.191 . 0 0 "[ . 1 . 2]" 1
6 1 23 ALA H 1 24 VAL H . . 4.830 4.602 4.587 4.618 . 0 0 "[ . 1 . 2]" 1
7 1 23 ALA H 1 23 ALA MB . . 2.760 2.137 2.042 2.235 . 0 0 "[ . 1 . 2]" 1
8 1 26 THR H 1 27 PHE H . . 3.620 2.485 2.386 2.602 . 0 0 "[ . 1 . 2]" 1
9 1 27 PHE H 1 27 PHE HB3 . . 3.360 2.478 2.416 2.517 . 0 0 "[ . 1 . 2]" 1
10 1 29 VAL H 1 30 LYS H . . 3.330 2.742 2.615 2.802 . 0 0 "[ . 1 . 2]" 1
11 1 27 PHE QD 1 29 VAL H . . 4.190 2.482 2.191 2.814 . 0 0 "[ . 1 . 2]" 1
12 1 29 VAL H 1 29 VAL HB . . 3.130 2.574 2.524 2.629 . 0 0 "[ . 1 . 2]" 1
13 1 29 VAL H 1 29 VAL MG1 . . 2.900 2.047 1.928 2.181 . 0 0 "[ . 1 . 2]" 1
14 1 29 VAL H 1 29 VAL MG2 . . 3.960 3.765 3.762 3.766 . 0 0 "[ . 1 . 2]" 1
15 1 116 PRO HA 1 117 LEU H . . 2.860 2.355 2.154 2.632 . 0 0 "[ . 1 . 2]" 1
16 1 117 LEU H 1 117 LEU HG . . 3.740 2.746 1.955 3.485 . 0 0 "[ . 1 . 2]" 1
17 1 11 TYR HB3 1 80 HIS H . . 4.650 4.514 4.449 4.542 . 0 0 "[ . 1 . 2]" 1
18 1 80 HIS H 1 80 HIS HB2 . . 4.110 2.890 2.888 2.893 . 0 0 "[ . 1 . 2]" 1
19 1 57 LYS H 1 72 GLU H . . 4.170 4.134 4.095 4.167 . 0 0 "[ . 1 . 2]" 1
20 1 56 GLY HA3 1 57 LYS H . . 3.320 2.654 2.605 2.708 . 0 0 "[ . 1 . 2]" 1
21 1 57 LYS H 1 57 LYS HB3 . . 3.230 2.658 2.495 2.782 . 0 0 "[ . 1 . 2]" 1
22 1 57 LYS H 1 70 ALA MB . . 3.860 2.435 2.168 2.723 . 0 0 "[ . 1 . 2]" 1
23 1 16 LEU H 1 76 ILE H . . 3.710 3.129 3.076 3.221 . 0 0 "[ . 1 . 2]" 1
24 1 15 LYS HA 1 16 LEU H . . 2.930 2.147 2.145 2.148 . 0 0 "[ . 1 . 2]" 1
25 1 16 LEU H 1 76 ILE HB . . 3.990 2.899 2.823 2.986 . 0 0 "[ . 1 . 2]" 1
26 1 16 LEU H 1 16 LEU HB3 . . 3.750 3.749 3.738 3.755 0.005 11 0 "[ . 1 . 2]" 1
27 1 16 LEU H 1 16 LEU HB2 . . 3.540 2.646 2.620 2.658 . 0 0 "[ . 1 . 2]" 1
28 1 15 LYS HB3 1 16 LEU H . . 4.610 3.750 3.681 3.809 . 0 0 "[ . 1 . 2]" 1
29 1 15 LYS HB2 1 16 LEU H . . 4.610 4.558 4.513 4.581 . 0 0 "[ . 1 . 2]" 1
30 1 55 ARG H 1 75 TYR H . . 3.720 2.764 2.720 2.818 . 0 0 "[ . 1 . 2]" 1
31 1 74 MET HA 1 75 TYR H . . 3.050 2.302 2.272 2.335 . 0 0 "[ . 1 . 2]" 1
32 1 56 GLY HA3 1 75 TYR H . . 4.100 3.703 3.636 3.781 . 0 0 "[ . 1 . 2]" 1
33 1 74 MET HG3 1 75 TYR H . . 4.400 4.202 4.126 4.280 . 0 0 "[ . 1 . 2]" 1
34 1 74 MET HB2 1 75 TYR H . . 4.440 2.712 2.623 2.799 . 0 0 "[ . 1 . 2]" 1
35 1 18 VAL MG1 1 75 TYR H . . 4.600 4.569 4.485 4.600 0.000 11 0 "[ . 1 . 2]" 1
36 1 96 LEU H 1 97 LEU H . . 3.360 2.516 2.421 2.569 . 0 0 "[ . 1 . 2]" 1
37 1 92 LEU HA 1 96 LEU H . . 4.770 4.319 4.186 4.483 . 0 0 "[ . 1 . 2]" 1
38 1 93 CYS HA 1 96 LEU H . . 3.680 3.356 3.243 3.496 . 0 0 "[ . 1 . 2]" 1
39 1 96 LEU H 1 96 LEU HB2 . . 3.250 2.629 2.605 2.667 . 0 0 "[ . 1 . 2]" 1
40 1 96 LEU H 1 96 LEU HB3 . . 3.250 2.422 2.390 2.449 . 0 0 "[ . 1 . 2]" 1
41 1 96 LEU H 1 96 LEU HG . . 4.670 4.483 4.477 4.493 . 0 0 "[ . 1 . 2]" 1
42 1 44 ILE MD 1 96 LEU H . . 4.160 3.905 3.780 4.011 . 0 0 "[ . 1 . 2]" 1
43 1 96 LEU H 1 96 LEU MD2 . . 4.060 4.033 3.985 4.060 0.000 15 0 "[ . 1 . 2]" 1
44 1 27 PHE HB2 1 28 ASN H . . 4.750 3.920 3.829 3.984 . 0 0 "[ . 1 . 2]" 1
45 1 45 GLN H 1 46 ILE H . . 3.470 2.425 2.415 2.458 . 0 0 "[ . 1 . 2]" 1
46 1 42 GLN HA 1 45 GLN H . . 3.950 3.411 3.393 3.436 . 0 0 "[ . 1 . 2]" 1
47 1 45 GLN H 1 45 GLN HG3 . . 3.500 2.836 2.779 2.866 . 0 0 "[ . 1 . 2]" 1
48 1 45 GLN H 1 45 GLN HB3 . . 3.700 3.534 3.530 3.544 . 0 0 "[ . 1 . 2]" 1
49 1 45 GLN H 1 45 GLN HB2 . . 3.700 2.249 2.242 2.266 . 0 0 "[ . 1 . 2]" 1
50 1 44 ILE HB 1 45 GLN H . . 3.710 2.985 2.932 3.004 . 0 0 "[ . 1 . 2]" 1
51 1 44 ILE MG 1 45 GLN H . . 3.800 3.781 3.734 3.801 0.001 4 0 "[ . 1 . 2]" 1
52 1 14 ASP H 1 78 ILE H . . 3.530 2.744 2.647 2.776 . 0 0 "[ . 1 . 2]" 1
53 1 77 TYR QD 1 78 ILE H . . 4.020 3.225 3.171 3.297 . 0 0 "[ . 1 . 2]" 1
54 1 15 LYS HA 1 78 ILE H . . 4.160 3.951 3.893 3.988 . 0 0 "[ . 1 . 2]" 1
55 1 78 ILE H 1 78 ILE HG13 . . 3.630 2.578 2.553 2.641 . 0 0 "[ . 1 . 2]" 1
56 1 78 ILE H 1 78 ILE HB . . 3.600 2.562 2.551 2.569 . 0 0 "[ . 1 . 2]" 1
57 1 76 ILE MG 1 78 ILE H . . 4.390 4.054 3.979 4.176 . 0 0 "[ . 1 . 2]" 1
58 1 78 ILE H 1 78 ILE HG12 . . 3.990 3.915 3.880 3.986 . 0 0 "[ . 1 . 2]" 1
59 1 78 ILE H 1 78 ILE MD . . 4.140 3.625 3.584 3.656 . 0 0 "[ . 1 . 2]" 1
60 1 107 PHE H 1 107 PHE QD . . 4.300 4.197 4.181 4.208 . 0 0 "[ . 1 . 2]" 1
61 1 104 TYR HA 1 107 PHE H . . 3.840 3.084 3.036 3.164 . 0 0 "[ . 1 . 2]" 1
62 1 107 PHE H 1 107 PHE HB2 . . 3.360 2.531 2.442 2.614 . 0 0 "[ . 1 . 2]" 1
63 1 107 PHE H 1 107 PHE HB3 . . 3.350 2.580 2.506 2.639 . 0 0 "[ . 1 . 2]" 1
64 1 106 ARG HB3 1 107 PHE H . . 3.950 3.497 3.291 3.655 . 0 0 "[ . 1 . 2]" 1
65 1 50 ALA H 1 51 LYS H . . 4.640 4.551 4.548 4.553 . 0 0 "[ . 1 . 2]" 1
66 1 49 GLY H 1 50 ALA H . . 3.180 2.494 2.487 2.504 . 0 0 "[ . 1 . 2]" 1
67 1 50 ALA H 1 80 HIS HD2 . . 3.860 3.748 3.730 3.769 . 0 0 "[ . 1 . 2]" 1
68 1 48 THR HG1 1 50 ALA H . . 3.060 2.409 2.350 2.461 . 0 0 "[ . 1 . 2]" 1
69 1 45 GLN HA 1 50 ALA H . . 3.600 3.030 3.012 3.047 . 0 0 "[ . 1 . 2]" 1
70 1 48 THR HB 1 50 ALA H . . 4.120 3.648 3.621 3.657 . 0 0 "[ . 1 . 2]" 1
71 1 50 ALA H 1 50 ALA MB . . 2.870 2.340 2.288 2.374 . 0 0 "[ . 1 . 2]" 1
72 1 48 THR MG 1 50 ALA H . . 4.290 4.224 4.215 4.247 . 0 0 "[ . 1 . 2]" 1
73 1 80 HIS HB3 1 86 LEU H . . 3.820 2.792 2.781 2.815 . 0 0 "[ . 1 . 2]" 1
74 1 80 HIS HB2 1 86 LEU H . . 4.190 3.532 3.523 3.554 . 0 0 "[ . 1 . 2]" 1
75 1 86 LEU H 1 86 LEU HB3 . . 3.300 2.830 2.823 2.832 . 0 0 "[ . 1 . 2]" 1
76 1 86 LEU H 1 86 LEU HG . . 5.030 4.527 4.526 4.528 . 0 0 "[ . 1 . 2]" 1
77 1 86 LEU H 1 86 LEU HB2 . . 3.190 2.224 2.222 2.229 . 0 0 "[ . 1 . 2]" 1
78 1 86 LEU H 1 86 LEU MD1 . . 4.260 4.265 4.255 4.269 0.009 13 0 "[ . 1 . 2]" 1
79 1 86 LEU H 1 86 LEU MD2 . . 4.210 3.728 3.725 3.738 . 0 0 "[ . 1 . 2]" 1
80 1 40 TYR H 1 40 TYR QD . . 3.500 2.188 2.186 2.190 . 0 0 "[ . 1 . 2]" 1
81 1 40 TYR H 1 41 LEU H . . 3.060 3.006 2.996 3.016 . 0 0 "[ . 1 . 2]" 1
82 1 39 SER HB2 1 40 TYR H . . 4.550 3.354 2.513 3.864 . 0 0 "[ . 1 . 2]" 1
83 1 40 TYR H 1 40 TYR HB2 . . 3.460 2.260 2.260 2.261 . 0 0 "[ . 1 . 2]" 1
84 1 40 TYR H 1 40 TYR HB3 . . 3.790 3.537 3.537 3.538 . 0 0 "[ . 1 . 2]" 1
85 1 35 GLY HA3 1 40 TYR H . . 3.510 2.234 2.185 2.247 . 0 0 "[ . 1 . 2]" 1
86 1 36 PRO HG2 1 40 TYR H . . 4.610 4.509 4.420 4.533 . 0 0 "[ . 1 . 2]" 1
87 1 27 PHE HZ 1 104 TYR H . . 4.300 2.998 2.732 3.193 . 0 0 "[ . 1 . 2]" 1
88 1 104 TYR H 1 104 TYR QD . . 4.230 4.191 4.188 4.196 . 0 0 "[ . 1 . 2]" 1
89 1 101 HIS HA 1 104 TYR H . . 3.980 3.603 3.518 3.731 . 0 0 "[ . 1 . 2]" 1
90 1 104 TYR H 1 104 TYR HB3 . . 3.400 2.426 2.395 2.458 . 0 0 "[ . 1 . 2]" 1
91 1 104 TYR H 1 104 TYR HB2 . . 3.400 2.637 2.606 2.675 . 0 0 "[ . 1 . 2]" 1
92 1 93 CYS H 1 94 GLU H . . 3.280 2.718 2.659 2.852 . 0 0 "[ . 1 . 2]" 1
93 1 90 LYS HA 1 94 GLU H . . 4.520 4.415 4.318 4.499 . 0 0 "[ . 1 . 2]" 1
94 1 70 ALA HA 1 71 PHE H . . 3.080 2.405 2.292 2.504 . 0 0 "[ . 1 . 2]" 1
95 1 71 PHE H 1 71 PHE HB2 . . 3.660 2.498 2.102 3.605 . 0 0 "[ . 1 . 2]" 1
96 1 71 PHE H 1 71 PHE HB3 . . 3.660 3.082 2.579 3.559 . 0 0 "[ . 1 . 2]" 1
97 1 71 PHE H 1 72 GLU H . . 3.760 2.438 2.347 2.565 . 0 0 "[ . 1 . 2]" 1
98 1 56 GLY HA2 1 72 GLU H . . 4.800 4.786 4.724 4.802 0.002 17 0 "[ . 1 . 2]" 1
99 1 71 PHE HB2 1 72 GLU H . . 4.230 3.413 2.864 3.892 . 0 0 "[ . 1 . 2]" 1
100 1 71 PHE HB3 1 72 GLU H . . 4.230 3.292 2.709 4.140 . 0 0 "[ . 1 . 2]" 1
101 1 72 GLU H 1 72 GLU HB3 . . 3.780 3.481 3.453 3.504 . 0 0 "[ . 1 . 2]" 1
102 1 72 GLU H 1 72 GLU HB2 . . 3.340 2.197 2.171 2.224 . 0 0 "[ . 1 . 2]" 1
103 1 57 LYS HB2 1 72 GLU H . . 4.520 4.415 4.319 4.520 0.000 14 0 "[ . 1 . 2]" 1
104 1 70 ALA MB 1 72 GLU H . . 3.460 2.673 2.436 2.897 . 0 0 "[ . 1 . 2]" 1
105 1 82 LYS H 1 82 LYS HG2 . . 4.540 3.182 3.161 3.193 . 0 0 "[ . 1 . 2]" 1
106 1 54 LEU HB3 1 55 ARG H . . 4.200 3.962 3.914 4.003 . 0 0 "[ . 1 . 2]" 1
107 1 59 SER HG 1 61 CYS H . . 4.050 2.711 2.058 4.051 0.001 14 0 "[ . 1 . 2]" 1
108 1 61 CYS H 1 61 CYS HB2 . . 3.780 2.483 2.150 2.799 . 0 0 "[ . 1 . 2]" 1
109 1 61 CYS H 1 61 CYS HB3 . . 3.780 2.795 2.580 2.999 . 0 0 "[ . 1 . 2]" 1
110 1 46 ILE H 1 47 GLU H . . 3.310 2.196 2.196 2.198 . 0 0 "[ . 1 . 2]" 1
111 1 43 HIS HA 1 46 ILE H . . 3.790 3.471 3.459 3.494 . 0 0 "[ . 1 . 2]" 1
112 1 45 GLN HB2 1 46 ILE H . . 4.190 3.043 3.031 3.056 . 0 0 "[ . 1 . 2]" 1
113 1 46 ILE H 1 46 ILE HB . . 2.990 2.513 2.511 2.514 . 0 0 "[ . 1 . 2]" 1
114 1 46 ILE H 1 46 ILE HG13 . . 3.220 2.623 2.616 2.626 . 0 0 "[ . 1 . 2]" 1
115 1 46 ILE H 1 46 ILE MG . . 3.900 3.793 3.791 3.794 . 0 0 "[ . 1 . 2]" 1
116 1 45 GLN HG2 1 52 VAL H . . 3.770 2.065 2.007 2.126 . 0 0 "[ . 1 . 2]" 1
117 1 51 LYS HB3 1 52 VAL H . . 4.000 3.848 3.783 3.902 . 0 0 "[ . 1 . 2]" 1
118 1 52 VAL H 1 52 VAL MG1 . . 4.260 3.850 3.845 3.857 . 0 0 "[ . 1 . 2]" 1
119 1 52 VAL H 1 53 PHE QD . . 4.510 4.287 4.190 4.413 . 0 0 "[ . 1 . 2]" 1
120 1 51 LYS HA 1 52 VAL H . . 2.820 2.161 2.160 2.161 . 0 0 "[ . 1 . 2]" 1
121 1 45 GLN HG3 1 52 VAL H . . 4.140 3.166 3.142 3.202 . 0 0 "[ . 1 . 2]" 1
122 1 52 VAL H 1 52 VAL HB . . 3.370 2.635 2.622 2.659 . 0 0 "[ . 1 . 2]" 1
123 1 52 VAL H 1 52 VAL MG2 . . 3.540 2.653 2.582 2.692 . 0 0 "[ . 1 . 2]" 1
124 1 103 GLU H 1 104 TYR H . . 3.240 2.612 2.563 2.655 . 0 0 "[ . 1 . 2]" 1
125 1 103 GLU H 1 103 GLU HG2 . . 3.130 2.038 1.954 2.131 . 0 0 "[ . 1 . 2]" 1
126 1 88 ALA H 1 90 LYS H . . 4.310 3.869 3.822 3.995 . 0 0 "[ . 1 . 2]" 1
127 1 88 ALA H 1 89 ALA H . . 3.000 2.601 2.578 2.615 . 0 0 "[ . 1 . 2]" 1
128 1 87 ALA H 1 88 ALA H . . 3.140 2.473 2.446 2.484 . 0 0 "[ . 1 . 2]" 1
129 1 88 ALA H 1 90 LYS HB3 . . 5.500 5.179 5.153 5.300 . 0 0 "[ . 1 . 2]" 1
130 1 88 ALA H 1 88 ALA MB . . 2.610 2.195 2.084 2.272 . 0 0 "[ . 1 . 2]" 1
131 1 87 ALA MB 1 88 ALA H . . 2.960 2.899 2.885 2.952 . 0 0 "[ . 1 . 2]" 1
132 1 89 ALA H 1 90 LYS H . . 3.180 2.812 2.799 2.863 . 0 0 "[ . 1 . 2]" 1
133 1 90 LYS H 1 90 LYS HB3 . . 3.230 2.675 2.653 2.738 . 0 0 "[ . 1 . 2]" 1
134 1 90 LYS H 1 90 LYS HB2 . . 3.210 2.382 2.325 2.402 . 0 0 "[ . 1 . 2]" 1
135 1 90 LYS H 1 90 LYS HD2 . . 5.480 4.975 4.828 5.079 . 0 0 "[ . 1 . 2]" 1
136 1 90 LYS H 1 90 LYS HD3 . . 5.500 4.955 4.873 5.222 . 0 0 "[ . 1 . 2]" 1
137 1 88 ALA MB 1 90 LYS H . . 4.450 4.348 4.303 4.448 . 0 0 "[ . 1 . 2]" 1
138 1 90 LYS H 1 90 LYS HG2 . . 4.630 4.469 4.425 4.478 . 0 0 "[ . 1 . 2]" 1
139 1 89 ALA MB 1 90 LYS H . . 3.330 2.655 2.522 2.694 . 0 0 "[ . 1 . 2]" 1
140 1 48 THR MG 1 90 LYS H . . 4.880 4.507 4.460 4.555 . 0 0 "[ . 1 . 2]" 1
141 1 78 ILE MD 1 90 LYS H . . 3.810 2.656 2.474 2.697 . 0 0 "[ . 1 . 2]" 1
142 1 53 PHE QD 1 54 LEU H . . 4.320 4.093 3.924 4.183 . 0 0 "[ . 1 . 2]" 1
143 1 54 LEU H 1 54 LEU HB2 . . 3.370 2.402 2.356 2.486 . 0 0 "[ . 1 . 2]" 1
144 1 54 LEU H 1 54 LEU HB3 . . 3.970 2.641 2.551 2.693 . 0 0 "[ . 1 . 2]" 1
145 1 41 LEU MD2 1 54 LEU H . . 3.650 2.644 2.464 2.727 . 0 0 "[ . 1 . 2]" 1
146 1 111 ILE H 1 112 ASN H . . 4.320 3.617 2.578 4.320 . 6 0 "[ . 1 . 2]" 1
147 1 115 VAL H 1 115 VAL HB . . 3.310 2.612 2.507 2.700 . 0 0 "[ . 1 . 2]" 1
148 1 114 ALA MB 1 115 VAL H . . 3.660 3.085 1.970 3.634 . 0 0 "[ . 1 . 2]" 1
149 1 115 VAL H 1 115 VAL MG1 . . 4.440 3.836 3.788 3.882 . 0 0 "[ . 1 . 2]" 1
150 1 68 ARG HA 1 69 GLU H . . 3.070 2.254 2.250 2.259 . 0 0 "[ . 1 . 2]" 1
151 1 68 ARG HB3 1 69 GLU H . . 4.000 3.379 2.859 3.972 . 0 0 "[ . 1 . 2]" 1
152 1 21 GLU H 1 22 HIS H . . 4.360 2.607 2.586 2.665 . 0 0 "[ . 1 . 2]" 1
153 1 20 LEU H 1 21 GLU H . . 3.470 2.257 2.168 2.387 . 0 0 "[ . 1 . 2]" 1
154 1 21 GLU H 1 21 GLU HG3 . . 4.060 2.809 2.214 3.670 . 0 0 "[ . 1 . 2]" 1
155 1 51 LYS H 1 51 LYS HB2 . . 3.430 2.145 2.123 2.206 . 0 0 "[ . 1 . 2]" 1
156 1 51 LYS H 1 51 LYS HB3 . . 3.750 3.390 3.304 3.498 . 0 0 "[ . 1 . 2]" 1
157 1 51 LYS H 1 51 LYS HG3 . . 4.010 3.397 3.090 3.664 . 0 0 "[ . 1 . 2]" 1
158 1 50 ALA MB 1 51 LYS H . . 3.020 2.606 2.566 2.645 . 0 0 "[ . 1 . 2]" 1
159 1 51 LYS H 1 52 VAL MG2 . . 4.610 4.220 4.161 4.278 . 0 0 "[ . 1 . 2]" 1
160 1 48 THR HB 1 89 ALA H . . 4.270 3.053 3.025 3.080 . 0 0 "[ . 1 . 2]" 1
161 1 86 LEU HA 1 89 ALA H . . 4.060 3.824 3.773 3.875 . 0 0 "[ . 1 . 2]" 1
162 1 30 LYS H 1 32 LYS H . . 4.550 3.928 3.886 3.948 . 0 0 "[ . 1 . 2]" 1
163 1 32 LYS H 1 33 VAL H . . 3.060 2.574 2.555 2.592 . 0 0 "[ . 1 . 2]" 1
164 1 29 VAL HA 1 32 LYS H . . 3.920 3.259 3.193 3.331 . 0 0 "[ . 1 . 2]" 1
165 1 32 LYS H 1 32 LYS HB2 . . 3.230 2.480 2.441 2.523 . 0 0 "[ . 1 . 2]" 1
166 1 32 LYS H 1 32 LYS HB3 . . 3.680 3.611 3.606 3.616 . 0 0 "[ . 1 . 2]" 1
167 1 32 LYS H 1 32 LYS HG2 . . 3.300 2.315 2.230 2.391 . 0 0 "[ . 1 . 2]" 1
168 1 32 LYS H 1 33 VAL MG1 . . 4.090 3.426 3.420 3.434 . 0 0 "[ . 1 . 2]" 1
169 1 32 LYS H 1 32 LYS HG3 . . 3.700 3.592 3.469 3.649 . 0 0 "[ . 1 . 2]" 1
170 1 93 CYS H 1 93 CYS HG . . 3.160 2.841 2.701 2.930 . 0 0 "[ . 1 . 2]" 1
171 1 101 HIS H 1 103 GLU H . . 4.110 4.070 4.034 4.105 . 0 0 "[ . 1 . 2]" 1
172 1 101 HIS H 1 101 HIS HD2 . . 3.450 2.825 2.706 2.916 . 0 0 "[ . 1 . 2]" 1
173 1 97 LEU HA 1 101 HIS H . . 4.130 3.893 3.805 3.996 . 0 0 "[ . 1 . 2]" 1
174 1 101 HIS H 1 101 HIS HB3 . . 3.680 3.494 3.480 3.513 . 0 0 "[ . 1 . 2]" 1
175 1 101 HIS H 1 101 HIS HB2 . . 3.680 2.185 2.167 2.213 . 0 0 "[ . 1 . 2]" 1
176 1 100 VAL HB 1 101 HIS H . . 4.070 4.034 3.978 4.070 . 0 0 "[ . 1 . 2]" 1
177 1 97 LEU MD2 1 101 HIS H . . 4.580 4.168 4.028 4.576 . 0 0 "[ . 1 . 2]" 1
178 1 108 VAL HA 1 111 ILE H . . 3.970 3.152 2.931 3.339 . 0 0 "[ . 1 . 2]" 1
179 1 110 GLN HB3 1 111 ILE H . . 4.050 3.852 3.548 4.047 . 0 0 "[ . 1 . 2]" 1
180 1 111 ILE H 1 111 ILE HG12 . . 3.370 3.255 3.160 3.354 . 0 0 "[ . 1 . 2]" 1
181 1 111 ILE H 1 111 ILE HG13 . . 3.370 1.997 1.951 2.052 . 0 0 "[ . 1 . 2]" 1
182 1 108 VAL MG2 1 111 ILE H . . 4.590 4.073 3.853 4.304 . 0 0 "[ . 1 . 2]" 1
183 1 106 ARG H 1 107 PHE H . . 3.090 2.277 2.219 2.353 . 0 0 "[ . 1 . 2]" 1
184 1 106 ARG H 1 108 VAL H . . 4.290 4.086 3.820 4.288 . 0 0 "[ . 1 . 2]" 1
185 1 105 SER H 1 106 ARG H . . 3.150 2.728 2.674 2.758 . 0 0 "[ . 1 . 2]" 1
186 1 106 ARG H 1 106 ARG HB2 . . 3.550 2.201 2.146 2.268 . 0 0 "[ . 1 . 2]" 1
187 1 42 GLN H 1 43 HIS H . . 3.420 2.789 2.764 2.825 . 0 0 "[ . 1 . 2]" 1
188 1 41 LEU H 1 42 GLN H . . 3.080 2.737 2.723 2.760 . 0 0 "[ . 1 . 2]" 1
189 1 38 CYS HB3 1 42 GLN H . . 4.090 3.865 3.837 3.920 . 0 0 "[ . 1 . 2]" 1
190 1 42 GLN H 1 42 GLN HB2 . . 3.130 2.181 2.174 2.187 . 0 0 "[ . 1 . 2]" 1
191 1 110 GLN HB2 1 111 ILE H . . 4.050 3.285 2.697 3.818 . 0 0 "[ . 1 . 2]" 1
192 1 111 ILE H 1 111 ILE HB . . 3.060 2.600 2.564 2.638 . 0 0 "[ . 1 . 2]" 1
193 1 106 ARG H 1 106 ARG HB3 . . 3.550 3.459 3.354 3.546 . 0 0 "[ . 1 . 2]" 1
194 1 106 ARG H 1 106 ARG HG2 . . 4.180 3.665 3.220 4.173 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLN HA 1 14 ASP H . . 3.110 2.345 2.299 2.365 . 0 0 "[ . 1 . 2]" 1
196 1 14 ASP H 1 79 SER HA . . 4.150 4.149 4.123 4.167 0.017 5 0 "[ . 1 . 2]" 1
197 1 14 ASP H 1 14 ASP HB2 . . 4.210 2.707 2.647 2.737 . 0 0 "[ . 1 . 2]" 1
198 1 14 ASP H 1 14 ASP HB3 . . 4.210 3.199 3.134 3.245 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLN HB2 1 14 ASP H . . 4.090 3.008 2.585 3.808 . 0 0 "[ . 1 . 2]" 1
200 1 14 ASP H 1 78 ILE HB . . 4.160 3.008 2.938 3.046 . 0 0 "[ . 1 . 2]" 1
201 1 14 ASP H 1 86 LEU MD2 . . 3.650 2.849 2.738 2.895 . 0 0 "[ . 1 . 2]" 1
202 1 86 LEU H 1 87 ALA H . . 3.280 2.805 2.798 2.808 . 0 0 "[ . 1 . 2]" 1
203 1 85 GLY H 1 87 ALA H . . 4.260 4.271 4.268 4.272 0.012 1 0 "[ . 1 . 2]" 1
204 1 83 PRO HA 1 87 ALA H . . 4.300 3.784 3.767 3.833 . 0 0 "[ . 1 . 2]" 1
205 1 86 LEU HB3 1 87 ALA H . . 3.320 2.598 2.588 2.615 . 0 0 "[ . 1 . 2]" 1
206 1 87 ALA H 1 88 ALA MB . . 4.220 4.136 4.054 4.177 . 0 0 "[ . 1 . 2]" 1
207 1 87 ALA H 1 87 ALA MB . . 2.650 2.228 2.111 2.255 . 0 0 "[ . 1 . 2]" 1
208 1 86 LEU MD1 1 87 ALA H . . 4.360 3.465 3.435 3.475 . 0 0 "[ . 1 . 2]" 1
209 1 94 GLU H 1 95 ASN H . . 3.210 2.647 2.576 2.737 . 0 0 "[ . 1 . 2]" 1
210 1 92 LEU HA 1 95 ASN H . . 3.680 3.407 3.299 3.505 . 0 0 "[ . 1 . 2]" 1
211 1 95 ASN H 1 95 ASN HB3 . . 3.690 2.681 2.277 3.597 . 0 0 "[ . 1 . 2]" 1
212 1 94 GLU HB2 1 95 ASN H . . 3.480 2.766 2.601 2.898 . 0 0 "[ . 1 . 2]" 1
213 1 94 GLU HG2 1 95 ASN H . . 4.890 4.631 4.477 4.756 . 0 0 "[ . 1 . 2]" 1
214 1 94 GLU HB3 1 95 ASN H . . 3.980 3.638 3.390 3.787 . 0 0 "[ . 1 . 2]" 1
215 1 53 PHE H 1 77 TYR H . . 3.650 3.003 2.981 3.062 . 0 0 "[ . 1 . 2]" 1
216 1 53 PHE H 1 53 PHE QD . . 3.830 3.089 2.850 3.229 . 0 0 "[ . 1 . 2]" 1
217 1 53 PHE H 1 77 TYR QD . . 4.450 4.196 4.131 4.241 . 0 0 "[ . 1 . 2]" 1
218 1 52 VAL HA 1 53 PHE H . . 2.850 2.141 2.140 2.142 . 0 0 "[ . 1 . 2]" 1
219 1 53 PHE H 1 77 TYR HB3 . . 4.820 3.155 3.114 3.236 . 0 0 "[ . 1 . 2]" 1
220 1 41 LEU MD2 1 53 PHE H . . 4.370 4.150 4.051 4.224 . 0 0 "[ . 1 . 2]" 1
221 1 52 VAL MG1 1 53 PHE H . . 3.360 2.782 2.561 2.801 . 0 0 "[ . 1 . 2]" 1
222 1 53 PHE H 1 76 ILE MG . . 3.760 3.646 3.563 3.725 . 0 0 "[ . 1 . 2]" 1
223 1 97 LEU H 1 98 GLN H . . 3.390 2.677 2.627 2.747 . 0 0 "[ . 1 . 2]" 1
224 1 95 ASN HA 1 98 GLN H . . 3.820 3.624 3.541 3.705 . 0 0 "[ . 1 . 2]" 1
225 1 98 GLN H 1 98 GLN HG2 . . 3.730 2.611 2.274 2.774 . 0 0 "[ . 1 . 2]" 1
226 1 98 GLN H 1 98 GLN HG3 . . 3.730 3.418 2.500 3.719 . 0 0 "[ . 1 . 2]" 1
227 1 97 LEU HB2 1 98 GLN H . . 3.800 2.834 2.769 2.876 . 0 0 "[ . 1 . 2]" 1
228 1 97 LEU HB3 1 98 GLN H . . 4.100 3.269 3.178 3.520 . 0 0 "[ . 1 . 2]" 1
229 1 97 LEU MD2 1 98 GLN H . . 5.460 4.572 4.531 4.690 . 0 0 "[ . 1 . 2]" 1
230 1 97 LEU H 1 97 LEU HB2 . . 3.370 2.161 2.139 2.286 . 0 0 "[ . 1 . 2]" 1
231 1 97 LEU H 1 97 LEU HG . . 3.350 2.965 2.648 3.028 . 0 0 "[ . 1 . 2]" 1
232 1 97 LEU H 1 97 LEU HB3 . . 3.710 3.477 3.461 3.546 . 0 0 "[ . 1 . 2]" 1
233 1 96 LEU HG 1 97 LEU H . . 4.490 4.425 4.356 4.467 . 0 0 "[ . 1 . 2]" 1
234 1 97 LEU H 1 100 VAL MG1 . . 4.480 4.178 4.128 4.224 . 0 0 "[ . 1 . 2]" 1
235 1 94 GLU HA 1 97 LEU H . . 3.950 3.546 3.442 3.597 . 0 0 "[ . 1 . 2]" 1
236 1 96 LEU HB2 1 97 LEU H . . 4.120 3.952 3.867 3.994 . 0 0 "[ . 1 . 2]" 1
237 1 96 LEU HB3 1 97 LEU H . . 4.120 2.685 2.544 2.747 . 0 0 "[ . 1 . 2]" 1
238 1 96 LEU MD2 1 97 LEU H . . 3.630 3.208 3.094 3.280 . 0 0 "[ . 1 . 2]" 1
239 1 20 LEU H 1 20 LEU HB2 . . 3.970 2.667 2.560 2.774 . 0 0 "[ . 1 . 2]" 1
240 1 18 VAL H 1 76 ILE H . . 4.630 4.011 3.674 4.249 . 0 0 "[ . 1 . 2]" 1
241 1 75 TYR HA 1 76 ILE H . . 3.360 2.368 2.335 2.398 . 0 0 "[ . 1 . 2]" 1
242 1 75 TYR HB3 1 76 ILE H . . 4.150 3.704 3.652 3.770 . 0 0 "[ . 1 . 2]" 1
243 1 76 ILE H 1 76 ILE HB . . 3.360 2.604 2.567 2.627 . 0 0 "[ . 1 . 2]" 1
244 1 18 VAL MG1 1 76 ILE H . . 3.620 3.398 3.260 3.563 . 0 0 "[ . 1 . 2]" 1
245 1 76 ILE H 1 76 ILE HG12 . . 4.280 3.374 3.270 3.512 . 0 0 "[ . 1 . 2]" 1
246 1 11 TYR H 1 11 TYR QD . . 3.740 2.575 2.416 2.748 . 0 0 "[ . 1 . 2]" 1
247 1 11 TYR H 1 11 TYR HB2 . . 3.820 2.311 2.258 2.388 . 0 0 "[ . 1 . 2]" 1
248 1 11 TYR H 1 11 TYR HB3 . . 3.660 3.568 3.541 3.605 . 0 0 "[ . 1 . 2]" 1
249 1 110 GLN H 1 110 GLN HA . . 2.940 2.862 2.801 2.907 . 0 0 "[ . 1 . 2]" 1
250 1 109 ASN HB2 1 110 GLN H . . 4.170 3.731 3.006 4.169 . 0 0 "[ . 1 . 2]" 1
251 1 109 ASN HB3 1 110 GLN H . . 4.170 3.003 2.575 3.495 . 0 0 "[ . 1 . 2]" 1
252 1 110 GLN H 1 110 GLN HG2 . . 3.810 2.581 1.958 3.412 . 0 0 "[ . 1 . 2]" 1
253 1 108 VAL H 1 110 GLN H . . 4.350 4.240 3.977 4.328 . 0 0 "[ . 1 . 2]" 1
254 1 110 GLN H 1 110 GLN HG3 . . 3.810 3.106 2.181 3.545 . 0 0 "[ . 1 . 2]" 1
255 1 108 VAL MG2 1 110 GLN H . . 5.340 4.855 4.572 5.126 . 0 0 "[ . 1 . 2]" 1
256 1 108 VAL MG1 1 110 GLN H . . 5.500 4.348 4.175 4.538 . 0 0 "[ . 1 . 2]" 1
257 1 83 PRO HD2 1 84 GLU H . . 4.290 2.648 2.647 2.649 . 0 0 "[ . 1 . 2]" 1
258 1 83 PRO HG2 1 84 GLU H . . 4.330 2.402 2.392 2.413 . 0 0 "[ . 1 . 2]" 1
259 1 82 LYS HB3 1 84 GLU H . . 4.370 2.851 2.703 2.960 . 0 0 "[ . 1 . 2]" 1
260 1 83 PRO HB2 1 84 GLU H . . 3.960 3.361 3.352 3.369 . 0 0 "[ . 1 . 2]" 1
261 1 74 MET H 1 74 MET HB3 . . 3.700 2.446 2.422 2.486 . 0 0 "[ . 1 . 2]" 1
262 1 73 PRO HB3 1 74 MET H . . 3.970 3.461 3.327 3.524 . 0 0 "[ . 1 . 2]" 1
263 1 74 MET H 1 74 MET HG3 . . 4.610 3.928 3.883 3.957 . 0 0 "[ . 1 . 2]" 1
264 1 74 MET H 1 74 MET HB2 . . 3.700 3.584 3.581 3.590 . 0 0 "[ . 1 . 2]" 1
265 1 57 LYS HB3 1 74 MET H . . 4.200 3.695 3.448 3.921 . 0 0 "[ . 1 . 2]" 1
266 1 107 PHE H 1 109 ASN H . . 4.270 3.717 3.617 3.810 . 0 0 "[ . 1 . 2]" 1
267 1 108 VAL H 1 109 ASN H . . 3.000 2.474 2.220 2.680 . 0 0 "[ . 1 . 2]" 1
268 1 106 ARG HA 1 109 ASN H . . 3.840 3.533 3.269 3.788 . 0 0 "[ . 1 . 2]" 1
269 1 105 SER HA 1 109 ASN H . . 4.680 4.129 4.006 4.389 . 0 0 "[ . 1 . 2]" 1
270 1 108 VAL HB 1 109 ASN H . . 4.140 4.091 3.984 4.130 . 0 0 "[ . 1 . 2]" 1
271 1 90 LYS H 1 91 LYS H . . 3.240 2.620 2.576 2.644 . 0 0 "[ . 1 . 2]" 1
272 1 88 ALA H 1 91 LYS H . . 4.830 4.705 4.622 4.743 . 0 0 "[ . 1 . 2]" 1
273 1 91 LYS H 1 92 LEU H . . 3.240 2.599 2.481 2.643 . 0 0 "[ . 1 . 2]" 1
274 1 88 ALA HA 1 91 LYS H . . 3.780 3.389 3.358 3.424 . 0 0 "[ . 1 . 2]" 1
275 1 89 ALA HA 1 91 LYS H . . 4.340 4.231 4.107 4.307 . 0 0 "[ . 1 . 2]" 1
276 1 91 LYS H 1 91 LYS HB2 . . 2.790 2.295 2.130 2.409 . 0 0 "[ . 1 . 2]" 1
277 1 90 LYS HB2 1 91 LYS H . . 4.080 3.839 3.819 3.864 . 0 0 "[ . 1 . 2]" 1
278 1 91 LYS H 1 91 LYS HG3 . . 4.060 2.911 2.503 3.440 . 0 0 "[ . 1 . 2]" 1
279 1 44 ILE H 1 45 GLN H . . 3.240 2.655 2.640 2.663 . 0 0 "[ . 1 . 2]" 1
280 1 43 HIS H 1 44 ILE H . . 3.570 3.007 2.992 3.019 . 0 0 "[ . 1 . 2]" 1
281 1 43 HIS HB3 1 44 ILE H . . 3.920 2.229 2.188 2.264 . 0 0 "[ . 1 . 2]" 1
282 1 43 HIS HB2 1 44 ILE H . . 3.920 3.706 3.672 3.733 . 0 0 "[ . 1 . 2]" 1
283 1 44 ILE H 1 44 ILE HG13 . . 3.250 1.994 1.956 2.037 . 0 0 "[ . 1 . 2]" 1
284 1 44 ILE H 1 44 ILE HB . . 3.250 2.585 2.560 2.608 . 0 0 "[ . 1 . 2]" 1
285 1 44 ILE H 1 44 ILE HG12 . . 3.650 3.312 3.257 3.370 . 0 0 "[ . 1 . 2]" 1
286 1 47 GLU H 1 48 THR HG1 . . 3.970 3.966 3.936 3.971 0.001 5 0 "[ . 1 . 2]" 1
287 1 44 ILE HA 1 47 GLU H . . 4.040 3.262 3.233 3.274 . 0 0 "[ . 1 . 2]" 1
288 1 47 GLU H 1 47 GLU HG2 . . 3.330 2.686 2.412 2.862 . 0 0 "[ . 1 . 2]" 1
289 1 46 ILE HB 1 47 GLU H . . 3.360 3.000 2.995 3.006 . 0 0 "[ . 1 . 2]" 1
290 1 47 GLU H 1 47 GLU HB2 . . 3.090 2.335 2.254 2.485 . 0 0 "[ . 1 . 2]" 1
291 1 47 GLU H 1 48 THR MG . . 4.230 4.085 4.055 4.143 . 0 0 "[ . 1 . 2]" 1
292 1 43 HIS H 1 43 HIS HB3 . . 3.320 2.497 2.466 2.553 . 0 0 "[ . 1 . 2]" 1
293 1 43 HIS H 1 43 HIS HB2 . . 3.320 2.570 2.513 2.603 . 0 0 "[ . 1 . 2]" 1
294 1 42 GLN HB3 1 43 HIS H . . 3.580 3.159 3.133 3.187 . 0 0 "[ . 1 . 2]" 1
295 1 12 VAL H 1 13 GLN H . . 4.580 4.396 4.388 4.400 . 0 0 "[ . 1 . 2]" 1
296 1 12 VAL HA 1 13 GLN H . . 2.790 2.183 2.174 2.185 . 0 0 "[ . 1 . 2]" 1
297 1 12 VAL HB 1 13 GLN H . . 3.310 3.076 3.064 3.122 . 0 0 "[ . 1 . 2]" 1
298 1 13 GLN H 1 86 LEU MD2 . . 4.350 3.815 3.767 3.857 . 0 0 "[ . 1 . 2]" 1
299 1 12 VAL MG2 1 13 GLN H . . 4.120 4.029 4.024 4.052 . 0 0 "[ . 1 . 2]" 1
300 1 29 VAL HB 1 30 LYS H . . 4.210 4.000 3.973 4.051 . 0 0 "[ . 1 . 2]" 1
301 1 30 LYS H 1 30 LYS HB2 . . 3.330 2.633 2.620 2.655 . 0 0 "[ . 1 . 2]" 1
302 1 30 LYS H 1 30 LYS HB3 . . 3.490 2.414 2.394 2.429 . 0 0 "[ . 1 . 2]" 1
303 1 29 VAL MG2 1 30 LYS H . . 3.750 3.564 3.503 3.628 . 0 0 "[ . 1 . 2]" 1
304 1 92 LEU H 1 93 CYS H . . 3.280 2.609 2.468 2.700 . 0 0 "[ . 1 . 2]" 1
305 1 89 ALA HA 1 92 LEU H . . 3.990 3.454 3.364 3.484 . 0 0 "[ . 1 . 2]" 1
306 1 92 LEU H 1 92 LEU HB2 . . 3.420 2.343 2.290 2.415 . 0 0 "[ . 1 . 2]" 1
307 1 92 LEU H 1 92 LEU HG . . 2.990 2.543 2.404 2.728 . 0 0 "[ . 1 . 2]" 1
308 1 92 LEU H 1 92 LEU HB3 . . 3.800 3.564 3.554 3.578 . 0 0 "[ . 1 . 2]" 1
309 1 48 THR MG 1 92 LEU H . . 4.400 4.073 4.037 4.122 . 0 0 "[ . 1 . 2]" 1
310 1 44 ILE MG 1 92 LEU H . . 3.970 3.970 3.939 3.980 0.010 17 0 "[ . 1 . 2]" 1
311 1 99 THR H 1 99 THR HB . . 3.180 2.569 2.494 2.664 . 0 0 "[ . 1 . 2]" 1
312 1 96 LEU HA 1 99 THR H . . 3.810 3.551 3.463 3.598 . 0 0 "[ . 1 . 2]" 1
313 1 98 GLN HB2 1 99 THR H . . 3.960 2.966 2.785 3.072 . 0 0 "[ . 1 . 2]" 1
314 1 98 GLN HB3 1 99 THR H . . 3.960 3.695 3.575 3.953 . 0 0 "[ . 1 . 2]" 1
315 1 99 THR H 1 102 ALA MB . . 5.120 4.924 4.845 4.994 . 0 0 "[ . 1 . 2]" 1
316 1 99 THR H 1 100 VAL MG1 . . 4.150 3.569 3.502 3.637 . 0 0 "[ . 1 . 2]" 1
317 1 14 ASP HB2 1 15 LYS H . . 3.960 3.960 3.957 3.962 0.002 3 0 "[ . 1 . 2]" 1
318 1 14 ASP HB3 1 15 LYS H . . 3.960 2.875 2.809 2.917 . 0 0 "[ . 1 . 2]" 1
319 1 15 LYS H 1 15 LYS HB3 . . 4.000 3.633 3.549 3.748 . 0 0 "[ . 1 . 2]" 1
320 1 15 LYS H 1 15 LYS HB2 . . 4.000 2.734 2.715 2.752 . 0 0 "[ . 1 . 2]" 1
321 1 33 VAL H 1 34 GLU H . . 3.070 2.732 2.725 2.746 . 0 0 "[ . 1 . 2]" 1
322 1 30 LYS HA 1 33 VAL H . . 4.290 3.645 3.628 3.666 . 0 0 "[ . 1 . 2]" 1
323 1 33 VAL H 1 33 VAL HB . . 3.020 2.602 2.601 2.604 . 0 0 "[ . 1 . 2]" 1
324 1 32 LYS HB2 1 33 VAL H . . 3.750 2.329 2.293 2.376 . 0 0 "[ . 1 . 2]" 1
325 1 32 LYS HB3 1 33 VAL H . . 4.140 3.431 3.384 3.498 . 0 0 "[ . 1 . 2]" 1
326 1 32 LYS HG2 1 33 VAL H . . 4.530 4.188 4.100 4.254 . 0 0 "[ . 1 . 2]" 1
327 1 33 VAL H 1 33 VAL MG1 . . 2.970 1.925 1.924 1.925 . 0 0 "[ . 1 . 2]" 1
328 1 33 VAL H 1 100 VAL MG2 . . 3.480 3.306 3.220 3.445 . 0 0 "[ . 1 . 2]" 1
329 1 29 VAL MG2 1 33 VAL H . . 4.240 3.346 3.168 3.454 . 0 0 "[ . 1 . 2]" 1
330 1 38 CYS HA 1 41 LEU H . . 4.290 3.595 3.581 3.620 . 0 0 "[ . 1 . 2]" 1
331 1 34 GLU HA 1 41 LEU H . . 3.950 2.936 2.911 3.023 . 0 0 "[ . 1 . 2]" 1
332 1 40 TYR HB2 1 41 LEU H . . 3.570 2.449 2.437 2.461 . 0 0 "[ . 1 . 2]" 1
333 1 40 TYR HB3 1 41 LEU H . . 3.990 2.886 2.865 2.905 . 0 0 "[ . 1 . 2]" 1
334 1 41 LEU H 1 41 LEU HB2 . . 3.270 2.075 2.069 2.077 . 0 0 "[ . 1 . 2]" 1
335 1 41 LEU H 1 41 LEU HB3 . . 3.870 3.384 3.374 3.388 . 0 0 "[ . 1 . 2]" 1
336 1 41 LEU H 1 41 LEU MD2 . . 3.790 3.801 3.799 3.803 0.013 18 0 "[ . 1 . 2]" 1
337 1 41 LEU H 1 41 LEU MD1 . . 3.670 2.405 2.389 2.449 . 0 0 "[ . 1 . 2]" 1
338 1 78 ILE HA 1 79 SER H . . 2.820 2.221 2.218 2.229 . 0 0 "[ . 1 . 2]" 1
339 1 79 SER H 1 79 SER HB3 . . 4.010 3.703 3.689 3.749 . 0 0 "[ . 1 . 2]" 1
340 1 51 LYS HB2 1 79 SER H . . 4.110 3.358 3.184 3.511 . 0 0 "[ . 1 . 2]" 1
341 1 50 ALA MB 1 79 SER H . . 3.790 3.139 3.112 3.166 . 0 0 "[ . 1 . 2]" 1
342 1 78 ILE HB 1 79 SER H . . 4.340 3.945 3.933 3.953 . 0 0 "[ . 1 . 2]" 1
343 1 79 SER H 1 86 LEU MD2 . . 4.230 3.845 3.798 3.870 . 0 0 "[ . 1 . 2]" 1
344 1 12 VAL H 1 12 VAL HB . . 4.100 3.740 3.731 3.744 . 0 0 "[ . 1 . 2]" 1
345 1 12 VAL H 1 80 HIS H . . 3.560 3.560 3.544 3.574 0.014 3 0 "[ . 1 . 2]" 1
346 1 11 TYR QD 1 12 VAL H . . 4.020 3.874 3.857 3.912 . 0 0 "[ . 1 . 2]" 1
347 1 11 TYR HB3 1 12 VAL H . . 3.430 2.676 2.672 2.681 . 0 0 "[ . 1 . 2]" 1
348 1 12 VAL H 1 12 VAL MG2 . . 2.970 2.032 1.994 2.138 . 0 0 "[ . 1 . 2]" 1
349 1 107 PHE H 1 108 VAL H . . 3.320 2.580 2.410 2.765 . 0 0 "[ . 1 . 2]" 1
350 1 107 PHE QD 1 108 VAL H . . 3.960 3.354 2.998 3.749 . 0 0 "[ . 1 . 2]" 1
351 1 105 SER HA 1 108 VAL H . . 4.190 3.960 3.743 4.167 . 0 0 "[ . 1 . 2]" 1
352 1 104 TYR HA 1 108 VAL H . . 4.320 3.643 3.424 3.895 . 0 0 "[ . 1 . 2]" 1
353 1 107 PHE HB2 1 108 VAL H . . 4.110 3.763 3.592 3.997 . 0 0 "[ . 1 . 2]" 1
354 1 107 PHE HB3 1 108 VAL H . . 3.510 2.486 2.193 2.841 . 0 0 "[ . 1 . 2]" 1
355 1 108 VAL H 1 108 VAL HB . . 3.280 2.671 2.496 2.845 . 0 0 "[ . 1 . 2]" 1
356 1 31 GLU H 1 32 LYS H . . 3.180 2.550 2.515 2.580 . 0 0 "[ . 1 . 2]" 1
357 1 30 LYS HG2 1 31 GLU H . . 4.040 3.452 3.404 3.506 . 0 0 "[ . 1 . 2]" 1
358 1 31 GLU H 1 32 LYS HG2 . . 4.650 4.059 3.939 4.128 . 0 0 "[ . 1 . 2]" 1
359 1 30 LYS H 1 31 GLU H . . 3.290 2.784 2.739 2.829 . 0 0 "[ . 1 . 2]" 1
360 1 29 VAL H 1 31 GLU H . . 4.880 4.445 4.364 4.585 . 0 0 "[ . 1 . 2]" 1
361 1 29 VAL HA 1 31 GLU H . . 5.230 4.350 4.252 4.436 . 0 0 "[ . 1 . 2]" 1
362 1 31 GLU H 1 31 GLU HG2 . . 4.060 3.218 2.611 3.922 . 0 0 "[ . 1 . 2]" 1
363 1 31 GLU H 1 31 GLU HG3 . . 4.440 3.385 2.798 4.048 . 0 0 "[ . 1 . 2]" 1
364 1 31 GLU H 1 31 GLU HB2 . . 2.840 2.212 2.084 2.352 . 0 0 "[ . 1 . 2]" 1
365 1 30 LYS HB3 1 31 GLU H . . 3.270 2.576 2.521 2.625 . 0 0 "[ . 1 . 2]" 1
366 1 118 PRO HA 1 119 GLY H . . 3.070 2.265 2.157 2.566 . 0 0 "[ . 1 . 2]" 1
367 1 57 LYS HB2 1 58 GLY H . . 4.280 4.256 4.179 4.281 0.001 19 0 "[ . 1 . 2]" 1
368 1 57 LYS HG3 1 58 GLY H . . 4.520 3.342 2.463 4.369 . 0 0 "[ . 1 . 2]" 1
369 1 59 SER H 1 60 GLY H . . 3.760 2.609 2.484 2.755 . 0 0 "[ . 1 . 2]" 1
370 1 58 GLY H 1 59 SER H . . 3.520 2.807 2.710 2.958 . 0 0 "[ . 1 . 2]" 1
371 1 59 SER H 1 59 SER HG . . 3.230 2.712 2.101 3.219 . 0 0 "[ . 1 . 2]" 1
372 1 57 LYS HA 1 59 SER H . . 4.210 3.536 3.423 3.951 . 0 0 "[ . 1 . 2]" 1
373 1 59 SER H 1 59 SER HB2 . . 3.920 3.539 3.007 3.597 . 0 0 "[ . 1 . 2]" 1
374 1 59 SER H 1 59 SER HB3 . . 3.920 2.398 2.236 3.480 . 0 0 "[ . 1 . 2]" 1
375 1 113 THR H 1 113 THR MG . . 4.310 3.196 2.031 3.847 . 0 0 "[ . 1 . 2]" 1
376 1 104 TYR H 1 105 SER H . . 3.240 2.809 2.739 2.873 . 0 0 "[ . 1 . 2]" 1
377 1 103 GLU HA 1 105 SER H . . 5.420 4.608 4.532 4.747 . 0 0 "[ . 1 . 2]" 1
378 1 105 SER H 1 105 SER HB2 . . 3.460 2.459 2.091 2.958 . 0 0 "[ . 1 . 2]" 1
379 1 104 TYR HB2 1 105 SER H . . 4.050 3.868 3.837 3.891 . 0 0 "[ . 1 . 2]" 1
380 1 38 CYS H 1 38 CYS HA . . 2.910 2.273 2.273 2.274 . 0 0 "[ . 1 . 2]" 1
381 1 38 CYS H 1 38 CYS HB3 . . 4.120 4.028 4.027 4.029 . 0 0 "[ . 1 . 2]" 1
382 1 38 CYS H 1 38 CYS HB2 . . 3.730 3.675 3.673 3.677 . 0 0 "[ . 1 . 2]" 1
383 1 36 PRO HB3 1 37 GLY H . . 4.160 3.984 3.980 3.991 . 0 0 "[ . 1 . 2]" 1
384 1 34 GLU HB2 1 38 CYS H . . 4.690 4.491 4.485 4.523 . 0 0 "[ . 1 . 2]" 1
385 1 60 GLY H 1 61 CYS H . . 3.630 2.148 2.000 2.471 . 0 0 "[ . 1 . 2]" 1
386 1 39 SER H 1 40 TYR H . . 3.390 2.793 2.752 2.807 . 0 0 "[ . 1 . 2]" 1
387 1 38 CYS H 1 39 SER H . . 3.050 2.608 2.607 2.609 . 0 0 "[ . 1 . 2]" 1
388 1 39 SER H 1 39 SER HB2 . . 3.540 2.494 2.216 2.778 . 0 0 "[ . 1 . 2]" 1
389 1 39 SER H 1 39 SER HB3 . . 3.540 2.823 2.320 3.540 . 20 0 "[ . 1 . 2]" 1
390 1 36 PRO HD2 1 39 SER H . . 4.220 3.961 3.946 3.967 . 0 0 "[ . 1 . 2]" 1
391 1 39 SER H 1 42 GLN HB2 . . 4.680 4.479 4.471 4.498 . 0 0 "[ . 1 . 2]" 1
392 1 47 GLU H 1 49 GLY H . . 4.050 3.587 3.581 3.594 . 0 0 "[ . 1 . 2]" 1
393 1 48 THR HG1 1 49 GLY H . . 3.260 2.463 2.383 2.481 . 0 0 "[ . 1 . 2]" 1
394 1 45 GLN HA 1 49 GLY H . . 4.080 3.446 3.432 3.465 . 0 0 "[ . 1 . 2]" 1
395 1 66 SER H 1 67 GLY H . . 4.360 1.887 1.886 1.888 . 0 0 "[ . 1 . 2]" 1
396 1 67 GLY H 1 68 ARG H . . 3.810 2.231 2.226 2.238 . 0 0 "[ . 1 . 2]" 1
397 1 62 ILE MG 1 67 GLY H . . 4.320 3.972 3.968 3.974 . 0 0 "[ . 1 . 2]" 1
398 1 92 LEU MD2 1 95 ASN HD21 . . 4.280 2.917 2.604 3.113 . 0 0 "[ . 1 . 2]" 1
399 1 92 LEU MD2 1 95 ASN HD22 . . 4.280 4.096 3.210 4.278 . 0 0 "[ . 1 . 2]" 1
400 1 84 GLU H 1 85 GLY H . . 3.880 3.052 3.044 3.067 . 0 0 "[ . 1 . 2]" 1
401 1 85 GLY H 1 86 LEU H . . 3.080 2.686 2.676 2.703 . 0 0 "[ . 1 . 2]" 1
402 1 84 GLU HG2 1 85 GLY H . . 4.330 3.281 2.916 4.316 . 0 0 "[ . 1 . 2]" 1
403 1 82 LYS HB2 1 85 GLY H . . 3.470 3.117 3.030 3.232 . 0 0 "[ . 1 . 2]" 1
404 1 85 GLY H 1 88 ALA MB . . 4.860 4.577 4.497 4.642 . 0 0 "[ . 1 . 2]" 1
405 1 45 GLN HB3 1 45 GLN HE21 . . 4.470 3.226 1.950 3.921 . 0 0 "[ . 1 . 2]" 1
406 1 18 VAL H 1 19 GLY H . . 3.810 2.506 2.379 2.735 . 0 0 "[ . 1 . 2]" 1
407 1 19 GLY H 1 20 LEU H . . 3.730 2.965 2.885 3.141 . 0 0 "[ . 1 . 2]" 1
408 1 18 VAL HB 1 19 GLY H . . 4.160 3.989 3.951 4.024 . 0 0 "[ . 1 . 2]" 1
409 1 55 ARG HB3 1 56 GLY H . . 4.500 2.830 2.559 3.103 . 0 0 "[ . 1 . 2]" 1
410 1 33 VAL H 1 35 GLY H . . 4.240 3.770 3.763 3.776 . 0 0 "[ . 1 . 2]" 1
411 1 34 GLU H 1 35 GLY H . . 3.140 2.274 2.266 2.284 . 0 0 "[ . 1 . 2]" 1
412 1 31 GLU HA 1 35 GLY H . . 4.250 3.952 3.923 3.980 . 0 0 "[ . 1 . 2]" 1
413 1 33 VAL HA 1 35 GLY H . . 4.540 4.129 4.108 4.139 . 0 0 "[ . 1 . 2]" 1
414 1 35 GLY H 1 40 TYR HB2 . . 4.060 3.107 3.092 3.116 . 0 0 "[ . 1 . 2]" 1
415 1 34 GLU HG3 1 35 GLY H . . 4.380 3.668 3.634 3.709 . 0 0 "[ . 1 . 2]" 1
416 1 34 GLU HG2 1 35 GLY H . . 3.600 2.609 2.589 2.660 . 0 0 "[ . 1 . 2]" 1
417 1 48 THR H 1 49 GLY H . . 2.930 1.923 1.913 1.931 . 0 0 "[ . 1 . 2]" 1
418 1 47 GLU H 1 48 THR H . . 3.380 2.380 2.369 2.393 . 0 0 "[ . 1 . 2]" 1
419 1 48 THR H 1 48 THR HG1 . . 2.930 2.089 2.055 2.107 . 0 0 "[ . 1 . 2]" 1
420 1 45 GLN HA 1 48 THR H . . 4.170 3.793 3.780 3.805 . 0 0 "[ . 1 . 2]" 1
421 1 47 GLU HG3 1 48 THR H . . 5.500 5.208 4.905 5.306 . 0 0 "[ . 1 . 2]" 1
422 1 47 GLU HB2 1 48 THR H . . 3.560 3.022 2.973 3.063 . 0 0 "[ . 1 . 2]" 1
423 1 48 THR H 1 48 THR MG . . 3.270 2.725 2.699 2.768 . 0 0 "[ . 1 . 2]" 1
424 1 44 ILE MG 1 48 THR H . . 4.140 3.997 3.886 4.115 . 0 0 "[ . 1 . 2]" 1
425 1 48 THR H 1 92 LEU MD1 . . 4.270 3.849 3.786 3.929 . 0 0 "[ . 1 . 2]" 1
426 1 17 PHE H 1 17 PHE HB2 . . 3.700 2.396 2.341 2.440 . 0 0 "[ . 1 . 2]" 1
427 1 17 PHE H 1 17 PHE HB3 . . 3.700 3.595 3.579 3.608 . 0 0 "[ . 1 . 2]" 1
428 1 16 LEU HB3 1 17 PHE H . . 4.020 3.699 3.610 3.779 . 0 0 "[ . 1 . 2]" 1
429 1 16 LEU MD1 1 17 PHE H . . 5.490 5.121 5.073 5.147 . 0 0 "[ . 1 . 2]" 1
430 1 16 LEU MD2 1 17 PHE H . . 5.500 4.994 4.953 5.074 . 0 0 "[ . 1 . 2]" 1
431 1 71 PHE H 1 71 PHE QD . . 4.670 3.301 2.359 4.220 . 0 0 "[ . 1 . 2]" 1
432 1 107 PHE H 1 108 VAL MG1 . . 4.460 3.693 3.606 3.787 . 0 0 "[ . 1 . 2]" 1
433 1 77 TYR H 1 77 TYR HB3 . . 4.050 2.796 2.739 2.830 . 0 0 "[ . 1 . 2]" 1
434 1 77 TYR H 1 77 TYR HB2 . . 4.050 2.923 2.876 2.972 . 0 0 "[ . 1 . 2]" 1
435 1 77 TYR H 1 77 TYR QD . . 4.730 4.339 4.317 4.354 . 0 0 "[ . 1 . 2]" 1
436 1 27 PHE QE 1 104 TYR H . . 4.400 3.120 2.806 3.434 . 0 0 "[ . 1 . 2]" 1
437 1 15 LYS H 1 78 ILE MD . . 5.040 4.988 4.864 5.050 0.010 5 0 "[ . 1 . 2]" 1
438 1 16 LEU HB2 1 17 PHE H . . 4.540 4.325 4.301 4.365 . 0 0 "[ . 1 . 2]" 1
439 1 17 PHE H 1 18 VAL H . . 4.800 4.487 4.290 4.544 . 0 0 "[ . 1 . 2]" 1
440 1 17 PHE HB3 1 18 VAL H . . 4.800 3.400 3.220 3.788 . 0 0 "[ . 1 . 2]" 1
441 1 17 PHE QD 1 18 VAL H . . 4.670 4.401 4.275 4.659 . 0 0 "[ . 1 . 2]" 1
442 1 17 PHE HA 1 19 GLY H . . 4.880 3.683 3.532 3.791 . 0 0 "[ . 1 . 2]" 1
443 1 19 GLY HA2 1 21 GLU H . . 4.770 3.391 3.327 3.426 . 0 0 "[ . 1 . 2]" 1
444 1 20 LEU HA 1 23 ALA H . . 4.530 3.355 3.295 3.449 . 0 0 "[ . 1 . 2]" 1
445 1 22 HIS H 1 23 ALA H . . 4.710 2.494 2.449 2.607 . 0 0 "[ . 1 . 2]" 1
446 1 24 VAL HA 1 26 THR H . . 5.140 4.004 3.973 4.100 . 0 0 "[ . 1 . 2]" 1
447 1 27 PHE H 1 27 PHE HB2 . . 3.480 2.592 2.548 2.680 . 0 0 "[ . 1 . 2]" 1
448 1 28 ASN HB3 1 29 VAL H . . 4.480 4.304 4.238 4.357 . 0 0 "[ . 1 . 2]" 1
449 1 28 ASN HB3 1 31 GLU H . . 4.570 2.791 2.673 2.928 . 0 0 "[ . 1 . 2]" 1
450 1 30 LYS HG3 1 31 GLU H . . 4.720 4.332 4.209 4.539 . 0 0 "[ . 1 . 2]" 1
451 1 29 VAL HA 1 33 VAL H . . 4.520 3.957 3.906 4.016 . 0 0 "[ . 1 . 2]" 1
452 1 31 GLU H 1 33 VAL H . . 4.810 4.489 4.431 4.557 . 0 0 "[ . 1 . 2]" 1
453 1 33 VAL MG2 1 34 GLU H . . 3.930 3.497 3.455 3.542 . 0 0 "[ . 1 . 2]" 1
454 1 33 VAL MG1 1 34 GLU H . . 3.650 2.055 2.047 2.058 . 0 0 "[ . 1 . 2]" 1
455 1 34 GLU H 1 34 GLU HB3 . . 3.810 2.600 2.590 2.610 . 0 0 "[ . 1 . 2]" 1
456 1 34 GLU H 1 34 GLU HG2 . . 3.970 2.273 2.254 2.285 . 0 0 "[ . 1 . 2]" 1
457 1 34 GLU H 1 34 GLU HG3 . . 3.820 3.739 3.708 3.756 . 0 0 "[ . 1 . 2]" 1
458 1 31 GLU HA 1 34 GLU H . . 3.990 3.791 3.773 3.813 . 0 0 "[ . 1 . 2]" 1
459 1 35 GLY H 1 40 TYR QE . . 5.150 5.159 5.158 5.160 0.010 1 0 "[ . 1 . 2]" 1
460 1 35 GLY H 1 40 TYR QD . . 4.170 4.049 4.021 4.059 . 0 0 "[ . 1 . 2]" 1
461 1 35 GLY H 1 40 TYR H . . 4.750 4.597 4.590 4.626 . 0 0 "[ . 1 . 2]" 1
462 1 40 TYR H 1 40 TYR QE . . 4.620 4.485 4.484 4.487 . 0 0 "[ . 1 . 2]" 1
463 1 41 LEU HB3 1 42 GLN H . . 4.180 3.110 3.064 3.126 . 0 0 "[ . 1 . 2]" 1
464 1 24 VAL H 1 104 TYR QE . . 3.940 2.271 2.142 2.436 . 0 0 "[ . 1 . 2]" 1
465 1 42 GLN HA 1 45 GLN HE22 . . 4.470 3.630 3.271 4.279 . 0 0 "[ . 1 . 2]" 1
466 1 45 GLN HB3 1 45 GLN HE22 . . 4.470 4.017 3.467 4.345 . 0 0 "[ . 1 . 2]" 1
467 1 45 GLN HB2 1 45 GLN HE22 . . 4.470 3.867 3.743 3.977 . 0 0 "[ . 1 . 2]" 1
468 1 45 GLN HG3 1 46 ILE H . . 4.960 4.750 4.712 4.770 . 0 0 "[ . 1 . 2]" 1
469 1 44 ILE H 1 46 ILE H . . 4.600 4.144 4.129 4.156 . 0 0 "[ . 1 . 2]" 1
470 1 48 THR H 1 49 GLY HA2 . . 4.240 4.201 4.190 4.208 . 0 0 "[ . 1 . 2]" 1
471 1 50 ALA H 1 52 VAL MG2 . . 4.340 4.076 4.035 4.113 . 0 0 "[ . 1 . 2]" 1
472 1 51 LYS H 1 80 HIS HD2 . . 4.510 3.894 3.881 3.917 . 0 0 "[ . 1 . 2]" 1
473 1 51 LYS H 1 78 ILE HA . . 4.840 4.695 4.678 4.712 . 0 0 "[ . 1 . 2]" 1
474 1 53 PHE H 1 77 TYR HB2 . . 4.820 4.585 4.552 4.692 . 0 0 "[ . 1 . 2]" 1
475 1 53 PHE H 1 76 ILE HA . . 5.050 4.773 4.720 4.847 . 0 0 "[ . 1 . 2]" 1
476 1 54 LEU H 1 54 LEU MD1 . . 4.260 3.968 3.816 4.100 . 0 0 "[ . 1 . 2]" 1
477 1 54 LEU MD2 1 55 ARG H . . 4.330 4.218 4.040 4.332 0.002 14 0 "[ . 1 . 2]" 1
478 1 54 LEU HB2 1 55 ARG H . . 4.430 4.239 4.170 4.296 . 0 0 "[ . 1 . 2]" 1
479 1 55 ARG HB2 1 56 GLY H . . 4.500 4.034 3.924 4.159 . 0 0 "[ . 1 . 2]" 1
480 1 56 GLY H 1 59 SER HG . . 4.220 2.601 2.004 3.504 . 0 0 "[ . 1 . 2]" 1
481 1 59 SER HG 1 60 GLY H . . 4.740 2.920 2.144 3.686 . 0 0 "[ . 1 . 2]" 1
482 1 59 SER HB3 1 61 CYS H . . 4.830 4.419 4.220 4.715 . 0 0 "[ . 1 . 2]" 1
483 1 62 ILE H 1 62 ILE MG . . 3.820 3.764 3.763 3.768 . 0 0 "[ . 1 . 2]" 1
484 1 62 ILE H 1 62 ILE HG12 . . 3.180 2.061 2.049 2.184 . 0 0 "[ . 1 . 2]" 1
485 1 62 ILE H 1 62 ILE HB . . 3.150 2.558 2.514 2.562 . 0 0 "[ . 1 . 2]" 1
486 1 61 CYS HB3 1 62 ILE H . . 5.050 4.322 4.233 4.425 . 0 0 "[ . 1 . 2]" 1
487 1 62 ILE H 1 63 GLU H . . 4.550 2.657 2.505 2.669 . 0 0 "[ . 1 . 2]" 1
488 1 61 CYS H 1 62 ILE H . . 4.630 4.135 4.060 4.330 . 0 0 "[ . 1 . 2]" 1
489 1 62 ILE MG 1 63 GLU H . . 3.790 3.768 3.766 3.771 . 0 0 "[ . 1 . 2]" 1
490 1 63 GLU H 1 63 GLU HG2 . . 3.940 2.609 2.605 2.614 . 0 0 "[ . 1 . 2]" 1
491 1 63 GLU H 1 69 GLU HA . . 4.560 4.427 4.420 4.450 . 0 0 "[ . 1 . 2]" 1
492 1 64 PRO HA 1 67 GLY H . . 4.480 3.962 3.958 3.965 . 0 0 "[ . 1 . 2]" 1
493 1 71 PHE QD 1 72 GLU H . . 4.870 4.191 2.970 4.729 . 0 0 "[ . 1 . 2]" 1
494 1 70 ALA HA 1 72 GLU H . . 4.520 4.285 4.055 4.461 . 0 0 "[ . 1 . 2]" 1
495 1 54 LEU MD1 1 75 TYR H . . 4.780 2.881 2.493 3.056 . 0 0 "[ . 1 . 2]" 1
496 1 74 MET HB3 1 75 TYR H . . 4.440 3.970 3.915 4.023 . 0 0 "[ . 1 . 2]" 1
497 1 75 TYR H 1 76 ILE HA . . 4.760 4.682 4.652 4.698 . 0 0 "[ . 1 . 2]" 1
498 1 74 MET H 1 75 TYR H . . 4.740 4.641 4.636 4.646 . 0 0 "[ . 1 . 2]" 1
499 1 16 LEU HB3 1 76 ILE H . . 4.480 4.454 4.320 4.482 0.002 11 0 "[ . 1 . 2]" 1
500 1 77 TYR HB3 1 78 ILE H . . 4.720 4.212 4.190 4.233 . 0 0 "[ . 1 . 2]" 1
501 1 77 TYR HB2 1 78 ILE H . . 4.720 4.444 4.394 4.460 . 0 0 "[ . 1 . 2]" 1
502 1 13 GLN HA 1 78 ILE H . . 4.960 4.645 4.581 4.677 . 0 0 "[ . 1 . 2]" 1
503 1 52 VAL HA 1 78 ILE H . . 4.740 4.719 4.696 4.752 0.012 18 0 "[ . 1 . 2]" 1
504 1 77 TYR H 1 78 ILE H . . 4.750 4.203 4.157 4.276 . 0 0 "[ . 1 . 2]" 1
505 1 78 ILE H 1 79 SER H . . 4.620 4.522 4.516 4.528 . 0 0 "[ . 1 . 2]" 1
506 1 80 HIS H 1 86 LEU MD2 . . 3.670 2.081 2.054 2.128 . 0 0 "[ . 1 . 2]" 1
507 1 79 SER HB3 1 80 HIS H . . 4.090 4.029 3.975 4.048 . 0 0 "[ . 1 . 2]" 1
508 1 11 TYR QD 1 80 HIS H . . 4.400 4.401 4.389 4.410 0.010 1 0 "[ . 1 . 2]" 1
509 1 79 SER H 1 80 HIS H . . 4.600 4.042 4.035 4.046 . 0 0 "[ . 1 . 2]" 1
510 1 82 LYS H 1 82 LYS HB2 . . 3.780 2.823 2.735 2.886 . 0 0 "[ . 1 . 2]" 1
511 1 81 PRO HB2 1 82 LYS H . . 4.280 3.772 3.768 3.775 . 0 0 "[ . 1 . 2]" 1
512 1 81 PRO HD2 1 82 LYS H . . 4.270 2.818 2.815 2.821 . 0 0 "[ . 1 . 2]" 1
513 1 80 HIS HB2 1 82 LYS H . . 5.050 4.268 4.265 4.272 . 0 0 "[ . 1 . 2]" 1
514 1 80 HIS HB3 1 82 LYS H . . 4.260 2.883 2.881 2.886 . 0 0 "[ . 1 . 2]" 1
515 1 82 LYS H 1 85 GLY H . . 4.720 4.667 4.653 4.702 . 0 0 "[ . 1 . 2]" 1
516 1 80 HIS HE1 1 82 LYS H . . 4.320 3.779 3.776 3.783 . 0 0 "[ . 1 . 2]" 1
517 1 82 LYS HG3 1 85 GLY H . . 5.470 5.081 4.963 5.244 . 0 0 "[ . 1 . 2]" 1
518 1 44 ILE MG 1 89 ALA H . . 4.780 4.781 4.775 4.789 0.009 6 0 "[ . 1 . 2]" 1
519 1 89 ALA H 1 90 LYS HB3 . . 5.500 5.217 5.192 5.283 . 0 0 "[ . 1 . 2]" 1
520 1 89 ALA H 1 92 LEU HG . . 5.500 5.269 5.097 5.369 . 0 0 "[ . 1 . 2]" 1
521 1 48 THR MG 1 91 LYS H . . 5.040 4.886 4.812 4.942 . 0 0 "[ . 1 . 2]" 1
522 1 91 LYS H 1 93 CYS H . . 4.450 4.033 3.952 4.138 . 0 0 "[ . 1 . 2]" 1
523 1 89 ALA H 1 91 LYS H . . 4.360 4.203 4.062 4.259 . 0 0 "[ . 1 . 2]" 1
524 1 89 ALA MB 1 92 LEU H . . 4.700 4.624 4.471 4.676 . 0 0 "[ . 1 . 2]" 1
525 1 92 LEU MD2 1 95 ASN H . . 4.930 4.805 4.704 4.916 . 0 0 "[ . 1 . 2]" 1
526 1 93 CYS H 1 95 ASN H . . 4.550 4.127 3.956 4.334 . 0 0 "[ . 1 . 2]" 1
527 1 76 ILE MD 1 97 LEU H . . 4.590 4.426 4.305 4.591 0.001 19 0 "[ . 1 . 2]" 1
528 1 96 LEU MD2 1 100 VAL H . . 4.190 3.853 3.737 3.942 . 0 0 "[ . 1 . 2]" 1
529 1 100 VAL H 1 100 VAL MG2 . . 4.430 3.764 3.763 3.765 . 0 0 "[ . 1 . 2]" 1
530 1 100 VAL H 1 100 VAL HB . . 3.210 2.596 2.583 2.613 . 0 0 "[ . 1 . 2]" 1
531 1 97 LEU HA 1 100 VAL H . . 3.740 3.510 3.473 3.549 . 0 0 "[ . 1 . 2]" 1
532 1 100 VAL H 1 101 HIS H . . 3.350 2.690 2.642 2.714 . 0 0 "[ . 1 . 2]" 1
533 1 99 THR H 1 101 HIS H . . 4.310 3.757 3.699 3.839 . 0 0 "[ . 1 . 2]" 1
534 1 101 HIS HB2 1 102 ALA H . . 3.910 3.048 2.977 3.129 . 0 0 "[ . 1 . 2]" 1
535 1 101 HIS HB3 1 102 ALA H . . 3.910 3.526 3.435 3.607 . 0 0 "[ . 1 . 2]" 1
536 1 99 THR HA 1 102 ALA H . . 3.860 3.603 3.545 3.636 . 0 0 "[ . 1 . 2]" 1
537 1 102 ALA H 1 103 GLU H . . 3.170 2.474 2.384 2.547 . 0 0 "[ . 1 . 2]" 1
538 1 99 THR H 1 102 ALA H . . 5.230 4.768 4.714 4.845 . 0 0 "[ . 1 . 2]" 1
539 1 102 ALA H 1 105 SER H . . 5.500 5.123 5.072 5.180 . 0 0 "[ . 1 . 2]" 1
540 1 102 ALA H 1 104 TYR H . . 4.630 4.295 4.207 4.414 . 0 0 "[ . 1 . 2]" 1
541 1 105 SER H 1 108 VAL MG1 . . 4.560 4.002 3.893 4.134 . 0 0 "[ . 1 . 2]" 1
542 1 102 ALA MB 1 105 SER H . . 5.010 4.860 4.788 4.948 . 0 0 "[ . 1 . 2]" 1
543 1 104 TYR HB3 1 105 SER H . . 4.050 2.479 2.427 2.516 . 0 0 "[ . 1 . 2]" 1
544 1 104 TYR QD 1 105 SER H . . 4.200 3.581 3.459 3.716 . 0 0 "[ . 1 . 2]" 1
545 1 104 TYR H 1 106 ARG H . . 4.350 4.023 3.958 4.139 . 0 0 "[ . 1 . 2]" 1
546 1 108 VAL HA 1 110 GLN H . . 4.470 3.982 3.670 4.368 . 0 0 "[ . 1 . 2]" 1
547 1 111 ILE MG 1 112 ASN H . . 4.520 3.251 2.772 3.734 . 0 0 "[ . 1 . 2]" 1
548 1 111 ILE HB 1 112 ASN H . . 4.510 3.511 1.956 4.442 . 0 0 "[ . 1 . 2]" 1
549 1 62 ILE MD 1 63 GLU H . . 4.830 4.714 4.688 4.719 . 0 0 "[ . 1 . 2]" 1
550 1 11 TYR H 1 12 VAL H . . 4.600 4.563 4.524 4.596 . 0 0 "[ . 1 . 2]" 1
551 1 14 ASP H 1 78 ILE HG13 . . 4.760 4.758 4.743 4.771 0.011 3 0 "[ . 1 . 2]" 1
552 1 13 GLN H 1 14 ASP H . . 4.670 4.471 4.456 4.478 . 0 0 "[ . 1 . 2]" 1
553 1 18 VAL MG1 1 19 GLY H . . 4.380 3.935 3.908 3.977 . 0 0 "[ . 1 . 2]" 1
554 1 29 VAL MG1 1 30 LYS H . . 3.810 2.010 1.917 2.099 . 0 0 "[ . 1 . 2]" 1
555 1 99 THR H 1 100 VAL H . . 3.240 2.729 2.665 2.773 . 0 0 "[ . 1 . 2]" 1
556 1 97 LEU H 1 99 THR H . . 4.550 4.093 4.051 4.190 . 0 0 "[ . 1 . 2]" 1
557 1 53 PHE H 1 54 LEU H . . 4.500 4.275 4.211 4.308 . 0 0 "[ . 1 . 2]" 1
558 1 57 LYS H 1 57 LYS HD2 . . 5.500 4.956 4.553 5.451 . 0 0 "[ . 1 . 2]" 1
559 1 57 LYS H 1 57 LYS HD3 . . 5.500 4.822 4.397 5.493 . 0 0 "[ . 1 . 2]" 1
560 1 57 LYS HG2 1 58 GLY H . . 4.520 3.112 2.436 4.332 . 0 0 "[ . 1 . 2]" 1
561 1 62 ILE MG 1 68 ARG H . . 4.120 4.022 4.013 4.034 . 0 0 "[ . 1 . 2]" 1
562 1 62 ILE MG 1 69 GLU H . . 4.650 3.888 3.878 3.898 . 0 0 "[ . 1 . 2]" 1
563 1 91 LYS H 1 92 LEU MD1 . . 5.500 5.476 5.384 5.499 . 0 0 "[ . 1 . 2]" 1
564 1 91 LYS H 1 92 LEU MD2 . . 5.500 5.452 5.237 5.491 . 0 0 "[ . 1 . 2]" 1
565 1 96 LEU H 1 98 GLN H . . 4.500 4.122 4.042 4.202 . 0 0 "[ . 1 . 2]" 1
566 1 94 GLU HA 1 98 GLN H . . 4.490 4.477 4.418 4.490 0.000 1 0 "[ . 1 . 2]" 1
567 1 95 ASN HA 1 99 THR H . . 5.150 5.047 4.905 5.106 . 0 0 "[ . 1 . 2]" 1
568 1 102 ALA MB 1 104 TYR H . . 5.040 4.771 4.691 4.849 . 0 0 "[ . 1 . 2]" 1
569 1 107 PHE HA 1 109 ASN H . . 4.430 4.220 4.046 4.418 . 0 0 "[ . 1 . 2]" 1
570 1 116 PRO HB2 1 117 LEU H . . 4.310 2.820 2.087 3.723 . 0 0 "[ . 1 . 2]" 1
571 1 26 THR HB 1 27 PHE H . . 4.430 3.813 3.719 4.035 . 0 0 "[ . 1 . 2]" 1
572 1 48 THR H 1 50 ALA H . . 3.830 3.702 3.687 3.718 . 0 0 "[ . 1 . 2]" 1
573 1 44 ILE HG12 1 93 CYS H . . 5.130 4.873 4.730 5.008 . 0 0 "[ . 1 . 2]" 1
574 1 48 THR MG 1 93 CYS H . . 5.500 5.100 4.941 5.234 . 0 0 "[ . 1 . 2]" 1
575 1 91 LYS HA 1 94 GLU H . . 3.890 3.630 3.524 3.798 . 0 0 "[ . 1 . 2]" 1
576 1 30 LYS H 1 30 LYS HG3 . . 4.540 4.468 4.453 4.501 . 0 0 "[ . 1 . 2]" 1
577 1 48 THR H 1 50 ALA MB . . 4.960 4.921 4.882 4.949 . 0 0 "[ . 1 . 2]" 1
578 1 97 LEU HG 1 98 GLN H . . 4.860 4.827 4.646 4.859 . 0 0 "[ . 1 . 2]" 1
579 1 20 LEU MD1 1 23 ALA H . . 4.370 4.281 4.209 4.335 . 0 0 "[ . 1 . 2]" 1
580 1 20 LEU HB3 1 23 ALA H . . 4.110 4.082 4.019 4.109 . 0 0 "[ . 1 . 2]" 1
581 1 21 GLU H 1 21 GLU HG2 . . 4.060 2.874 2.000 3.921 . 0 0 "[ . 1 . 2]" 1
582 1 14 ASP H 1 86 LEU MD1 . . 4.180 3.646 3.528 3.706 . 0 0 "[ . 1 . 2]" 1
583 1 15 LYS H 1 15 LYS HG2 . . 4.710 4.414 4.212 4.582 . 0 0 "[ . 1 . 2]" 1
584 1 15 LYS H 1 15 LYS HG3 . . 4.280 4.169 3.946 4.268 . 0 0 "[ . 1 . 2]" 1
585 1 15 LYS HG2 1 16 LEU H . . 4.460 3.830 3.673 4.061 . 0 0 "[ . 1 . 2]" 1
586 1 15 LYS H 1 16 LEU H . . 4.060 3.972 3.955 4.000 . 0 0 "[ . 1 . 2]" 1
587 1 30 LYS H 1 30 LYS HG2 . . 4.550 4.405 4.387 4.421 . 0 0 "[ . 1 . 2]" 1
588 1 28 ASN HA 1 30 LYS H . . 4.410 3.369 3.273 3.440 . 0 0 "[ . 1 . 2]" 1
589 1 29 VAL MG1 1 31 GLU H . . 4.970 4.372 4.321 4.433 . 0 0 "[ . 1 . 2]" 1
590 1 31 GLU H 1 33 VAL MG1 . . 5.240 4.119 4.079 4.171 . 0 0 "[ . 1 . 2]" 1
591 1 32 LYS H 1 33 VAL HB . . 5.340 5.071 5.049 5.095 . 0 0 "[ . 1 . 2]" 1
592 1 31 GLU HA 1 33 VAL H . . 5.190 4.870 4.827 4.915 . 0 0 "[ . 1 . 2]" 1
593 1 33 VAL HB 1 34 GLU H . . 3.980 3.966 3.964 3.968 . 0 0 "[ . 1 . 2]" 1
594 1 32 LYS H 1 34 GLU H . . 4.280 3.846 3.825 3.864 . 0 0 "[ . 1 . 2]" 1
595 1 38 CYS HB2 1 39 SER H . . 4.330 4.011 4.009 4.018 . 0 0 "[ . 1 . 2]" 1
596 1 40 TYR H 1 42 GLN HB2 . . 4.810 4.641 4.632 4.647 . 0 0 "[ . 1 . 2]" 1
597 1 39 SER HB3 1 40 TYR H . . 4.550 2.612 2.303 3.120 . 0 0 "[ . 1 . 2]" 1
598 1 34 GLU HB2 1 41 LEU H . . 4.570 4.387 4.371 4.417 . 0 0 "[ . 1 . 2]" 1
599 1 41 LEU HB2 1 42 GLN H . . 3.550 3.039 3.009 3.048 . 0 0 "[ . 1 . 2]" 1
600 1 42 GLN H 1 42 GLN HG2 . . 3.990 3.058 2.912 3.224 . 0 0 "[ . 1 . 2]" 1
601 1 39 SER HA 1 42 GLN H . . 3.820 3.606 3.590 3.635 . 0 0 "[ . 1 . 2]" 1
602 1 40 TYR H 1 42 GLN H . . 4.130 4.070 4.061 4.102 . 0 0 "[ . 1 . 2]" 1
603 1 43 HIS H 1 44 ILE HB . . 5.410 5.183 5.161 5.209 . 0 0 "[ . 1 . 2]" 1
604 1 45 GLN H 1 46 ILE HB . . 5.110 4.718 4.706 4.751 . 0 0 "[ . 1 . 2]" 1
605 1 45 GLN H 1 52 VAL HB . . 5.440 4.645 4.606 4.695 . 0 0 "[ . 1 . 2]" 1
606 1 49 GLY H 1 50 ALA MB . . 4.400 4.288 4.254 4.314 . 0 0 "[ . 1 . 2]" 1
607 1 51 LYS H 1 79 SER H . . 3.380 2.868 2.850 2.888 . 0 0 "[ . 1 . 2]" 1
608 1 51 LYS H 1 52 VAL H . . 4.410 4.318 4.313 4.323 . 0 0 "[ . 1 . 2]" 1
609 1 50 ALA HA 1 51 LYS H . . 3.100 2.349 2.342 2.357 . 0 0 "[ . 1 . 2]" 1
610 1 51 LYS HG2 1 52 VAL H . . 4.440 3.956 3.759 4.142 . 0 0 "[ . 1 . 2]" 1
611 1 52 VAL HB 1 53 PHE H . . 4.380 4.208 4.190 4.218 . 0 0 "[ . 1 . 2]" 1
612 1 54 LEU HA 1 55 ARG H . . 3.070 2.179 2.167 2.194 . 0 0 "[ . 1 . 2]" 1
613 1 55 ARG H 1 55 ARG HG3 . . 4.800 4.394 4.056 4.628 . 0 0 "[ . 1 . 2]" 1
614 1 57 LYS H 1 73 PRO HA . . 3.660 3.569 3.334 3.660 . 0 0 "[ . 1 . 2]" 1
615 1 57 LYS H 1 57 LYS HB2 . . 3.130 2.398 2.292 2.547 . 0 0 "[ . 1 . 2]" 1
616 1 57 LYS H 1 57 LYS HG2 . . 4.740 4.497 4.345 4.630 . 0 0 "[ . 1 . 2]" 1
617 1 57 LYS H 1 58 GLY H . . 4.730 4.566 4.499 4.594 . 0 0 "[ . 1 . 2]" 1
618 1 59 SER HB2 1 61 CYS H . . 4.830 4.221 3.041 4.701 . 0 0 "[ . 1 . 2]" 1
619 1 68 ARG HB2 1 69 GLU H . . 4.000 3.287 2.837 3.733 . 0 0 "[ . 1 . 2]" 1
620 1 73 PRO HB2 1 74 MET H . . 3.970 2.624 2.352 2.748 . 0 0 "[ . 1 . 2]" 1
621 1 74 MET H 1 74 MET HG2 . . 4.610 2.747 2.665 2.805 . 0 0 "[ . 1 . 2]" 1
622 1 57 LYS H 1 74 MET H . . 4.920 4.366 4.147 4.513 . 0 0 "[ . 1 . 2]" 1
623 1 76 ILE H 1 76 ILE HG13 . . 3.720 2.114 2.034 2.203 . 0 0 "[ . 1 . 2]" 1
624 1 77 TYR QE 1 78 ILE H . . 4.790 4.585 4.511 4.637 . 0 0 "[ . 1 . 2]" 1
625 1 80 HIS H 1 80 HIS HB3 . . 4.010 2.978 2.976 2.980 . 0 0 "[ . 1 . 2]" 1
626 1 11 TYR HA 1 80 HIS H . . 5.500 5.485 5.463 5.499 . 0 0 "[ . 1 . 2]" 1
627 1 82 LYS H 1 82 LYS HG3 . . 4.340 3.585 3.276 4.015 . 0 0 "[ . 1 . 2]" 1
628 1 82 LYS HB2 1 84 GLU H . . 4.510 3.372 3.251 3.537 . 0 0 "[ . 1 . 2]" 1
629 1 84 GLU H 1 84 GLU HG2 . . 4.510 3.998 2.048 4.502 . 0 0 "[ . 1 . 2]" 1
630 1 86 LEU MD2 1 87 ALA H . . 4.560 4.603 4.599 4.604 0.044 2 0 "[ . 1 . 2]" 1
631 1 86 LEU HA 1 88 ALA H . . 4.420 4.100 4.084 4.129 . 0 0 "[ . 1 . 2]" 1
632 1 86 LEU HB3 1 88 ALA H . . 5.310 4.760 4.754 4.774 . 0 0 "[ . 1 . 2]" 1
633 1 88 ALA H 1 91 LYS HB2 . . 5.500 5.285 4.854 5.433 . 0 0 "[ . 1 . 2]" 1
634 1 89 ALA H 1 92 LEU MD1 . . 4.950 4.828 4.784 4.878 . 0 0 "[ . 1 . 2]" 1
635 1 85 GLY HA2 1 89 ALA H . . 4.680 3.736 3.694 3.777 . 0 0 "[ . 1 . 2]" 1
636 1 86 LEU H 1 89 ALA H . . 5.050 4.864 4.850 4.876 . 0 0 "[ . 1 . 2]" 1
637 1 86 LEU HA 1 90 LYS H . . 4.400 4.211 4.125 4.246 . 0 0 "[ . 1 . 2]" 1
638 1 90 LYS HG2 1 91 LYS H . . 4.470 4.223 4.125 4.441 . 0 0 "[ . 1 . 2]" 1
639 1 91 LYS H 1 91 LYS HG2 . . 4.060 3.420 2.484 4.015 . 0 0 "[ . 1 . 2]" 1
640 1 92 LEU H 1 92 LEU MD1 . . 4.130 3.755 3.733 3.796 . 0 0 "[ . 1 . 2]" 1
641 1 89 ALA HA 1 93 CYS H . . 4.430 4.212 4.061 4.353 . 0 0 "[ . 1 . 2]" 1
642 1 93 CYS H 1 93 CYS HB2 . . 3.730 2.284 2.259 2.330 . 0 0 "[ . 1 . 2]" 1
643 1 90 LYS HA 1 93 CYS H . . 3.960 3.528 3.436 3.652 . 0 0 "[ . 1 . 2]" 1
644 1 92 LEU HB2 1 93 CYS H . . 3.840 2.722 2.532 2.860 . 0 0 "[ . 1 . 2]" 1
645 1 93 CYS H 1 93 CYS HB3 . . 3.730 3.545 3.535 3.561 . 0 0 "[ . 1 . 2]" 1
646 1 92 LEU HG 1 93 CYS H . . 4.610 4.548 4.384 4.610 0.000 13 0 "[ . 1 . 2]" 1
647 1 76 ILE MD 1 93 CYS H . . 4.900 4.842 4.799 4.889 . 0 0 "[ . 1 . 2]" 1
648 1 16 LEU MD1 1 93 CYS H . . 5.030 4.394 4.249 4.645 . 0 0 "[ . 1 . 2]" 1
649 1 92 LEU MD1 1 93 CYS H . . 4.970 4.629 4.509 4.756 . 0 0 "[ . 1 . 2]" 1
650 1 92 LEU MD2 1 93 CYS H . . 5.360 4.673 4.609 4.706 . 0 0 "[ . 1 . 2]" 1
651 1 94 GLU H 1 94 GLU HB3 . . 3.790 3.574 3.535 3.597 . 0 0 "[ . 1 . 2]" 1
652 1 94 GLU H 1 94 GLU HB2 . . 3.270 2.394 2.257 2.522 . 0 0 "[ . 1 . 2]" 1
653 1 95 ASN H 1 97 LEU H . . 4.480 4.074 3.971 4.242 . 0 0 "[ . 1 . 2]" 1
654 1 97 LEU H 1 98 GLN HA . . 5.380 5.269 5.228 5.327 . 0 0 "[ . 1 . 2]" 1
655 1 98 GLN H 1 98 GLN HB3 . . 3.570 3.555 3.526 3.578 0.008 1 0 "[ . 1 . 2]" 1
656 1 98 GLN H 1 99 THR H . . 3.190 2.703 2.649 2.739 . 0 0 "[ . 1 . 2]" 1
657 1 97 LEU HA 1 99 THR H . . 4.420 3.923 3.845 4.052 . 0 0 "[ . 1 . 2]" 1
658 1 96 LEU MD2 1 99 THR H . . 4.660 4.631 4.557 4.659 . 0 0 "[ . 1 . 2]" 1
659 1 98 GLN H 1 101 HIS H . . 5.030 4.788 4.744 4.822 . 0 0 "[ . 1 . 2]" 1
660 1 100 VAL MG1 1 103 GLU H . . 5.020 4.900 4.849 4.954 . 0 0 "[ . 1 . 2]" 1
661 1 99 THR MG 1 103 GLU H . . 4.760 4.654 4.513 4.725 . 0 0 "[ . 1 . 2]" 1
662 1 100 VAL MG2 1 104 TYR H . . 4.130 3.964 3.883 4.088 . 0 0 "[ . 1 . 2]" 1
663 1 103 GLU HB2 1 105 SER H . . 5.290 5.111 5.036 5.179 . 0 0 "[ . 1 . 2]" 1
664 1 106 ARG H 1 107 PHE HA . . 5.280 4.947 4.897 5.019 . 0 0 "[ . 1 . 2]" 1
665 1 106 ARG H 1 107 PHE HB2 . . 5.500 4.542 4.445 4.661 . 0 0 "[ . 1 . 2]" 1
666 1 106 ARG H 1 106 ARG HG3 . . 4.180 3.600 3.090 4.043 . 0 0 "[ . 1 . 2]" 1
667 1 106 ARG HB2 1 107 PHE H . . 3.950 3.083 2.919 3.255 . 0 0 "[ . 1 . 2]" 1
668 1 105 SER HA 1 107 PHE H . . 4.700 4.374 4.252 4.537 . 0 0 "[ . 1 . 2]" 1
669 1 105 SER H 1 107 PHE H . . 4.390 4.074 3.988 4.179 . 0 0 "[ . 1 . 2]" 1
670 1 109 ASN H 1 111 ILE H . . 4.270 4.103 3.983 4.213 . 0 0 "[ . 1 . 2]" 1
671 1 109 ASN H 1 110 GLN H . . 3.150 2.679 2.501 2.803 . 0 0 "[ . 1 . 2]" 1
672 1 106 ARG HA 1 110 GLN H . . 4.920 4.652 4.207 4.916 . 0 0 "[ . 1 . 2]" 1
673 1 111 ILE H 1 111 ILE MD . . 4.260 3.540 3.443 3.607 . 0 0 "[ . 1 . 2]" 1
674 1 110 GLN HG3 1 111 ILE H . . 4.930 3.711 2.185 4.917 . 0 0 "[ . 1 . 2]" 1
675 1 110 GLN HG2 1 111 ILE H . . 4.930 3.714 2.055 4.914 . 0 0 "[ . 1 . 2]" 1
676 1 109 ASN HA 1 111 ILE H . . 4.890 4.326 4.058 4.616 . 0 0 "[ . 1 . 2]" 1
677 1 115 VAL H 1 115 VAL MG2 . . 4.440 2.599 2.280 2.837 . 0 0 "[ . 1 . 2]" 1
678 1 114 ALA HA 1 115 VAL H . . 2.800 2.284 2.144 2.681 . 0 0 "[ . 1 . 2]" 1
679 1 116 PRO HB3 1 117 LEU H . . 4.310 3.588 3.215 4.132 . 0 0 "[ . 1 . 2]" 1
680 1 117 LEU H 1 117 LEU HB2 . . 4.190 2.825 2.254 3.727 . 0 0 "[ . 1 . 2]" 1
681 1 117 LEU H 1 117 LEU HB3 . . 4.190 3.460 2.964 3.693 . 0 0 "[ . 1 . 2]" 1
682 1 79 SER HA 1 80 HIS H . . 2.990 2.153 2.151 2.155 . 0 0 "[ . 1 . 2]" 1
683 1 10 HIS HA 1 11 TYR H . . 3.020 2.336 2.140 2.671 . 0 0 "[ . 1 . 2]" 1
684 1 14 ASP H 1 78 ILE MG . . 4.530 4.059 3.985 4.096 . 0 0 "[ . 1 . 2]" 1
685 1 16 LEU HA 1 17 PHE H . . 2.940 2.157 2.146 2.173 . 0 0 "[ . 1 . 2]" 1
686 1 18 VAL HB 1 20 LEU H . . 4.610 4.198 3.944 4.578 . 0 0 "[ . 1 . 2]" 1
687 1 20 LEU H 1 29 VAL MG1 . . 5.500 4.352 4.092 4.468 . 0 0 "[ . 1 . 2]" 1
688 1 18 VAL MG1 1 20 LEU H . . 5.500 4.860 4.691 5.179 . 0 0 "[ . 1 . 2]" 1
689 1 20 LEU H 1 23 ALA MB . . 5.500 5.137 5.054 5.208 . 0 0 "[ . 1 . 2]" 1
690 1 39 SER HA 1 43 HIS H . . 4.190 4.191 4.190 4.192 0.002 4 0 "[ . 1 . 2]" 1
691 1 33 VAL H 1 34 GLU HB3 . . 5.260 5.117 5.110 5.132 . 0 0 "[ . 1 . 2]" 1
692 1 36 PRO HG2 1 39 SER H . . 4.550 3.999 3.984 4.004 . 0 0 "[ . 1 . 2]" 1
693 1 40 TYR QD 1 41 LEU H . . 4.520 4.337 4.331 4.341 . 0 0 "[ . 1 . 2]" 1
694 1 95 ASN H 1 96 LEU H . . 3.200 2.486 2.397 2.618 . 0 0 "[ . 1 . 2]" 1
695 1 88 ALA MB 1 92 LEU H . . 4.800 4.649 4.602 4.765 . 0 0 "[ . 1 . 2]" 1
696 1 94 GLU H 1 94 GLU HG3 . . 3.720 3.100 2.709 3.472 . 0 0 "[ . 1 . 2]" 1
697 1 103 GLU HB2 1 104 TYR H . . 3.320 2.498 2.394 2.601 . 0 0 "[ . 1 . 2]" 1
698 1 92 LEU H 1 94 GLU H . . 4.780 4.238 4.056 4.459 . 0 0 "[ . 1 . 2]" 1
699 1 56 GLY H 1 57 LYS H . . 4.690 4.429 4.388 4.466 . 0 0 "[ . 1 . 2]" 1
700 1 12 VAL H 1 81 PRO HA . . 3.690 3.279 3.253 3.299 . 0 0 "[ . 1 . 2]" 1
701 1 17 PHE H 1 17 PHE QD . . 3.780 1.992 1.948 2.123 . 0 0 "[ . 1 . 2]" 1
702 1 55 ARG H 1 77 TYR H . . 4.620 4.255 4.140 4.316 . 0 0 "[ . 1 . 2]" 1
703 1 76 ILE HG12 1 77 TYR H . . 4.820 4.471 4.426 4.516 . 0 0 "[ . 1 . 2]" 1
704 1 94 GLU H 1 96 LEU H . . 4.620 4.026 3.929 4.118 . 0 0 "[ . 1 . 2]" 1
705 1 101 HIS H 1 102 ALA H . . 3.170 2.609 2.563 2.668 . 0 0 "[ . 1 . 2]" 1
706 1 103 GLU H 1 105 SER H . . 4.270 4.252 4.217 4.270 0.000 13 0 "[ . 1 . 2]" 1
707 1 11 TYR H 1 81 PRO HA . . 5.040 4.965 4.885 5.042 0.002 9 0 "[ . 1 . 2]" 1
708 1 88 ALA HA 1 92 LEU H . . 4.480 4.401 4.358 4.480 0.000 20 0 "[ . 1 . 2]" 1
709 1 86 LEU MD2 1 90 LYS H . . 4.650 4.630 4.494 4.652 0.002 9 0 "[ . 1 . 2]" 1
710 1 85 GLY HA3 1 89 ALA H . . 4.680 4.464 4.437 4.496 . 0 0 "[ . 1 . 2]" 1
711 1 29 VAL H 1 32 LYS HG2 . . 4.920 4.816 4.631 4.918 . 0 0 "[ . 1 . 2]" 1
712 1 21 GLU HA 1 23 ALA H . . 4.150 3.967 3.902 4.012 . 0 0 "[ . 1 . 2]" 1
713 1 46 ILE HA 1 49 GLY H . . 4.410 3.385 3.364 3.401 . 0 0 "[ . 1 . 2]" 1
714 1 35 GLY HA3 1 39 SER H . . 4.630 3.835 3.819 3.842 . 0 0 "[ . 1 . 2]" 1
715 1 30 LYS H 1 30 LYS HD3 . . 4.720 4.583 4.536 4.721 0.001 14 0 "[ . 1 . 2]" 1
716 1 57 LYS H 1 70 ALA HA . . 5.150 5.028 4.910 5.142 . 0 0 "[ . 1 . 2]" 1
717 1 56 GLY H 1 70 ALA H . . 4.840 4.510 4.297 4.706 . 0 0 "[ . 1 . 2]" 1
718 1 69 GLU H 1 70 ALA H . . 4.870 4.631 4.617 4.646 . 0 0 "[ . 1 . 2]" 1
719 1 56 GLY HA2 1 70 ALA H . . 4.890 3.650 3.411 3.850 . 0 0 "[ . 1 . 2]" 1
720 1 55 ARG HA 1 59 SER H . . 5.470 5.046 4.893 5.186 . 0 0 "[ . 1 . 2]" 1
721 1 58 GLY H 1 60 GLY H . . 4.840 3.331 3.014 3.523 . 0 0 "[ . 1 . 2]" 1
722 1 61 CYS HB2 1 62 ILE H . . 5.050 4.604 4.544 4.649 . 0 0 "[ . 1 . 2]" 1
723 1 40 TYR H 1 96 LEU MD1 . . 5.240 5.208 5.104 5.247 0.007 6 0 "[ . 1 . 2]" 1
724 1 38 CYS H 1 40 TYR H . . 5.030 4.692 4.655 4.702 . 0 0 "[ . 1 . 2]" 1
725 1 57 LYS H 1 59 SER H . . 4.870 4.496 4.425 4.721 . 0 0 "[ . 1 . 2]" 1
726 1 28 ASN HB3 1 32 LYS H . . 4.700 4.300 4.136 4.504 . 0 0 "[ . 1 . 2]" 1
727 1 32 LYS H 1 100 VAL MG2 . . 4.400 4.120 4.059 4.203 . 0 0 "[ . 1 . 2]" 1
728 1 50 ALA HA 1 79 SER H . . 4.760 4.683 4.666 4.705 . 0 0 "[ . 1 . 2]" 1
729 1 79 SER H 1 80 HIS HA . . 5.120 4.846 4.839 4.854 . 0 0 "[ . 1 . 2]" 1
730 1 91 LYS H 1 94 GLU H . . 5.270 4.946 4.842 5.078 . 0 0 "[ . 1 . 2]" 1
731 1 41 LEU H 1 43 HIS H . . 4.690 4.393 4.378 4.414 . 0 0 "[ . 1 . 2]" 1
732 1 15 LYS HA 1 76 ILE H . . 5.070 4.773 4.713 4.871 . 0 0 "[ . 1 . 2]" 1
733 1 44 ILE H 1 45 GLN HG3 . . 4.800 4.794 4.733 4.801 0.001 2 0 "[ . 1 . 2]" 1
734 1 16 LEU H 1 78 ILE H . . 5.010 4.925 4.869 5.000 . 0 0 "[ . 1 . 2]" 1
735 1 16 LEU H 1 75 TYR HA . . 5.080 5.062 5.028 5.087 0.007 4 0 "[ . 1 . 2]" 1
736 1 54 LEU HB2 1 77 TYR H . . 5.500 5.396 5.152 5.501 0.001 18 0 "[ . 1 . 2]" 1
737 1 76 ILE HG13 1 77 TYR H . . 5.500 5.075 5.027 5.111 . 0 0 "[ . 1 . 2]" 1
738 1 76 ILE HB 1 77 TYR H . . 5.030 4.003 3.936 4.075 . 0 0 "[ . 1 . 2]" 1
739 1 44 ILE MG 1 50 ALA H . . 4.870 4.835 4.737 4.870 0.000 6 0 "[ . 1 . 2]" 1
740 1 56 GLY H 1 59 SER H . . 5.410 4.677 4.490 4.834 . 0 0 "[ . 1 . 2]" 1
741 1 56 GLY H 1 61 CYS H . . 5.500 4.558 4.188 4.882 . 0 0 "[ . 1 . 2]" 1
742 1 55 ARG HA 1 61 CYS H . . 5.120 4.630 3.940 5.052 . 0 0 "[ . 1 . 2]" 1
743 1 80 HIS HE1 1 85 GLY H . . 4.750 2.744 2.725 2.758 . 0 0 "[ . 1 . 2]" 1
744 1 82 LYS HA 1 85 GLY H . . 5.430 5.412 5.396 5.431 0.001 18 0 "[ . 1 . 2]" 1
745 1 42 GLN H 1 44 ILE H . . 5.070 4.686 4.647 4.719 . 0 0 "[ . 1 . 2]" 1
746 1 34 GLU H 1 54 LEU MD1 . . 4.850 4.685 4.598 4.846 . 0 0 "[ . 1 . 2]" 1
747 1 30 LYS HA 1 34 GLU H . . 4.750 4.024 3.989 4.087 . 0 0 "[ . 1 . 2]" 1
748 1 34 GLU H 1 35 GLY HA2 . . 5.130 4.541 4.532 4.553 . 0 0 "[ . 1 . 2]" 1
749 1 31 GLU HB3 1 35 GLY H . . 5.500 5.068 5.052 5.194 . 0 0 "[ . 1 . 2]" 1
750 1 32 LYS HB2 1 35 GLY H . . 5.500 5.053 5.034 5.073 . 0 0 "[ . 1 . 2]" 1
751 1 30 LYS HA 1 32 LYS H . . 5.030 4.026 3.980 4.059 . 0 0 "[ . 1 . 2]" 1
752 1 30 LYS HD3 1 31 GLU H . . 5.410 5.134 4.880 5.410 0.000 14 0 "[ . 1 . 2]" 1
753 1 29 VAL H 1 30 LYS HB2 . . 5.500 5.222 5.071 5.305 . 0 0 "[ . 1 . 2]" 1
754 1 29 VAL H 1 30 LYS HB3 . . 5.500 4.840 4.730 4.892 . 0 0 "[ . 1 . 2]" 1
755 1 23 ALA MB 1 29 VAL H . . 4.470 3.820 3.682 3.979 . 0 0 "[ . 1 . 2]" 1
756 1 28 ASN H 1 29 VAL H . . 4.880 2.980 2.899 3.088 . 0 0 "[ . 1 . 2]" 1
757 1 27 PHE QE 1 107 PHE H . . 5.400 4.733 4.388 5.100 . 0 0 "[ . 1 . 2]" 1
758 1 104 TYR HA 1 106 ARG H . . 4.920 3.961 3.899 4.087 . 0 0 "[ . 1 . 2]" 1
759 1 103 GLU H 1 106 ARG H . . 5.180 4.913 4.857 4.978 . 0 0 "[ . 1 . 2]" 1
760 1 46 ILE H 1 48 THR H . . 4.740 3.764 3.758 3.774 . 0 0 "[ . 1 . 2]" 1
761 1 102 ALA H 1 103 GLU HG2 . . 4.600 3.726 3.587 3.896 . 0 0 "[ . 1 . 2]" 1
762 1 100 VAL H 1 102 ALA H . . 4.330 4.176 4.137 4.228 . 0 0 "[ . 1 . 2]" 1
763 1 98 GLN H 1 100 VAL H . . 4.830 4.713 4.632 4.766 . 0 0 "[ . 1 . 2]" 1
764 1 20 LEU H 1 20 LEU MD2 . . 4.790 4.563 4.477 4.647 . 0 0 "[ . 1 . 2]" 1
765 1 21 GLU H 1 23 ALA H . . 4.960 4.109 4.088 4.143 . 0 0 "[ . 1 . 2]" 1
766 1 23 ALA H 1 104 TYR QE . . 4.680 4.581 4.505 4.638 . 0 0 "[ . 1 . 2]" 1
767 1 24 VAL H 1 108 VAL MG1 . . 5.500 5.463 5.402 5.496 . 0 0 "[ . 1 . 2]" 1
768 1 24 VAL H 1 111 ILE MD . . 5.500 4.594 4.191 5.044 . 0 0 "[ . 1 . 2]" 1
769 1 43 HIS HA 1 45 GLN H . . 4.850 4.095 4.075 4.155 . 0 0 "[ . 1 . 2]" 1
770 1 45 GLN H 1 48 THR HG1 . . 5.420 4.615 4.588 4.663 . 0 0 "[ . 1 . 2]" 1
771 1 70 ALA H 1 71 PHE H . . 4.900 4.629 4.606 4.643 . 0 0 "[ . 1 . 2]" 1
772 1 36 PRO HA 1 39 SER H . . 4.900 4.427 4.426 4.428 . 0 0 "[ . 1 . 2]" 1
773 1 39 SER H 1 41 LEU H . . 4.700 4.523 4.492 4.540 . 0 0 "[ . 1 . 2]" 1
774 1 60 GLY H 1 69 GLU HG2 . . 4.590 3.289 2.879 3.608 . 0 0 "[ . 1 . 2]" 1
775 1 60 GLY H 1 69 GLU HG3 . . 4.590 4.502 4.313 4.591 0.001 10 0 "[ . 1 . 2]" 1
776 1 113 THR MG 1 114 ALA H . . 4.790 3.009 2.090 4.003 . 0 0 "[ . 1 . 2]" 1
777 1 114 ALA H 1 114 ALA MB . . 3.410 2.657 2.158 2.886 . 0 0 "[ . 1 . 2]" 1
778 1 113 THR HA 1 114 ALA H . . 3.410 2.204 2.142 2.326 . 0 0 "[ . 1 . 2]" 1
779 1 114 ALA H 1 115 VAL H . . 4.400 4.053 3.325 4.373 . 0 0 "[ . 1 . 2]" 1
780 1 45 GLN HA 1 47 GLU H . . 4.930 4.324 4.316 4.330 . 0 0 "[ . 1 . 2]" 1
781 1 44 ILE H 1 47 GLU H . . 4.850 4.671 4.652 4.683 . 0 0 "[ . 1 . 2]" 1
782 1 46 ILE HG13 1 47 GLU H . . 4.500 4.408 4.405 4.410 . 0 0 "[ . 1 . 2]" 1
783 1 47 GLU HA 1 49 GLY H . . 4.770 4.635 4.627 4.641 . 0 0 "[ . 1 . 2]" 1
784 1 41 LEU HA 1 45 GLN H . . 4.670 4.360 4.323 4.402 . 0 0 "[ . 1 . 2]" 1
785 1 57 LYS HD2 1 58 GLY H . . 5.500 4.884 2.566 5.500 . 10 0 "[ . 1 . 2]" 1
786 1 57 LYS HD3 1 58 GLY H . . 5.500 4.783 3.522 5.500 0.000 2 0 "[ . 1 . 2]" 1
787 1 51 LYS H 1 89 ALA MB . . 5.320 5.323 5.312 5.330 0.010 17 0 "[ . 1 . 2]" 1
788 1 51 LYS H 1 80 HIS HA . . 4.300 3.830 3.818 3.845 . 0 0 "[ . 1 . 2]" 1
789 1 30 LYS HG2 1 34 GLU H . . 5.230 5.059 4.861 5.181 . 0 0 "[ . 1 . 2]" 1
790 1 100 VAL H 1 102 ALA MB . . 4.940 4.917 4.848 4.939 . 0 0 "[ . 1 . 2]" 1
791 1 62 ILE MG 1 67 GLY HA2 . . 3.680 2.639 2.636 2.641 . 0 0 "[ . 1 . 2]" 1
792 1 62 ILE MG 1 67 GLY HA3 . . 3.750 3.782 3.779 3.784 0.034 14 0 "[ . 1 . 2]" 1
793 1 14 ASP HB3 1 86 LEU MD2 . . 4.000 4.000 3.992 4.014 0.014 13 0 "[ . 1 . 2]" 1
794 1 41 LEU MD2 1 54 LEU HB2 . . 3.860 3.003 2.825 3.153 . 0 0 "[ . 1 . 2]" 1
795 1 54 LEU HB3 1 59 SER HB2 . . 4.550 2.868 2.615 3.907 . 0 0 "[ . 1 . 2]" 1
796 1 56 GLY HA3 1 74 MET HA . . 4.030 2.502 2.343 2.616 . 0 0 "[ . 1 . 2]" 1
797 1 56 GLY HA2 1 74 MET HA . . 4.280 4.130 3.985 4.233 . 0 0 "[ . 1 . 2]" 1
798 1 16 LEU HB3 1 76 ILE MD . . 4.060 3.514 3.304 3.690 . 0 0 "[ . 1 . 2]" 1
799 1 16 LEU HB3 1 76 ILE HB . . 4.040 3.797 3.741 3.888 . 0 0 "[ . 1 . 2]" 1
800 1 16 LEU HB3 1 97 LEU MD1 . . 3.630 3.038 2.911 3.127 . 0 0 "[ . 1 . 2]" 1
801 1 16 LEU HB3 1 16 LEU MD2 . . 3.650 2.033 1.967 2.115 . 0 0 "[ . 1 . 2]" 1
802 1 16 LEU HB2 1 76 ILE HB . . 3.810 2.050 1.991 2.144 . 0 0 "[ . 1 . 2]" 1
803 1 16 LEU HB2 1 76 ILE H . . 4.350 3.157 2.995 3.204 . 0 0 "[ . 1 . 2]" 1
804 1 16 LEU HB2 1 97 LEU MD1 . . 3.860 3.604 3.423 3.736 . 0 0 "[ . 1 . 2]" 1
805 1 16 LEU HB2 1 76 ILE MD . . 4.020 2.634 2.470 2.811 . 0 0 "[ . 1 . 2]" 1
806 1 106 ARG HA 1 106 ARG HD3 . . 5.010 3.600 2.239 4.498 . 0 0 "[ . 1 . 2]" 1
807 1 106 ARG HA 1 106 ARG HD2 . . 5.010 4.043 3.303 4.643 . 0 0 "[ . 1 . 2]" 1
808 1 68 ARG HA 1 68 ARG HD2 . . 5.050 4.625 4.153 4.999 . 0 0 "[ . 1 . 2]" 1
809 1 35 GLY HA2 1 40 TYR H . . 4.000 3.983 3.925 3.998 . 0 0 "[ . 1 . 2]" 1
810 1 35 GLY HA3 1 40 TYR QE . . 4.430 3.955 3.951 3.980 . 0 0 "[ . 1 . 2]" 1
811 1 35 GLY HA3 1 40 TYR HB2 . . 4.450 2.146 2.003 2.183 . 0 0 "[ . 1 . 2]" 1
812 1 35 GLY HA3 1 40 TYR QD . . 4.430 2.524 2.510 2.530 . 0 0 "[ . 1 . 2]" 1
813 1 32 LYS HE2 1 32 LYS HG2 . . 4.060 3.531 3.291 3.940 . 0 0 "[ . 1 . 2]" 1
814 1 32 LYS HE3 1 32 LYS HG2 . . 4.060 3.839 3.531 4.035 . 0 0 "[ . 1 . 2]" 1
815 1 44 ILE HG12 1 92 LEU HB2 . . 4.570 3.329 3.237 3.396 . 0 0 "[ . 1 . 2]" 1
816 1 92 LEU HB3 1 93 CYS H . . 4.560 3.575 3.455 3.686 . 0 0 "[ . 1 . 2]" 1
817 1 44 ILE HG12 1 92 LEU HB3 . . 4.370 2.297 2.218 2.420 . 0 0 "[ . 1 . 2]" 1
818 1 80 HIS HE1 1 82 LYS HE2 . . 5.500 4.420 3.437 5.498 . 0 0 "[ . 1 . 2]" 1
819 1 80 HIS HE1 1 82 LYS HE3 . . 5.500 4.975 4.128 5.480 . 0 0 "[ . 1 . 2]" 1
820 1 82 LYS HA 1 82 LYS HE2 . . 5.500 5.074 4.871 5.498 . 0 0 "[ . 1 . 2]" 1
821 1 82 LYS HA 1 82 LYS HE3 . . 5.500 4.698 3.994 5.500 . 0 0 "[ . 1 . 2]" 1
822 1 82 LYS HB3 1 82 LYS HE2 . . 5.150 3.326 2.869 4.458 . 0 0 "[ . 1 . 2]" 1
823 1 82 LYS HB3 1 82 LYS HE3 . . 5.150 2.608 2.019 3.855 . 0 0 "[ . 1 . 2]" 1
824 1 30 LYS HE2 1 30 LYS HG3 . . 4.050 3.474 2.958 4.051 0.001 11 0 "[ . 1 . 2]" 1
825 1 30 LYS HE2 1 30 LYS HG2 . . 3.990 2.445 2.007 3.521 . 0 0 "[ . 1 . 2]" 1
826 1 30 LYS HE3 1 30 LYS HG2 . . 3.990 2.876 2.087 3.539 . 0 0 "[ . 1 . 2]" 1
827 1 90 LYS HE2 1 90 LYS HG2 . . 3.950 2.350 2.228 2.984 . 0 0 "[ . 1 . 2]" 1
828 1 90 LYS HE2 1 90 LYS HG3 . . 3.740 2.772 2.538 3.268 . 0 0 "[ . 1 . 2]" 1
829 1 16 LEU MD2 1 90 LYS HE2 . . 4.180 2.768 2.658 3.416 . 0 0 "[ . 1 . 2]" 1
830 1 90 LYS HE3 1 90 LYS HG2 . . 3.950 3.348 2.887 3.560 . 0 0 "[ . 1 . 2]" 1
831 1 90 LYS HE3 1 90 LYS HG3 . . 3.740 2.882 2.177 3.077 . 0 0 "[ . 1 . 2]" 1
832 1 16 LEU MD1 1 90 LYS HE3 . . 4.500 4.345 3.527 4.510 0.010 19 0 "[ . 1 . 2]" 1
833 1 96 LEU HB3 1 96 LEU MD1 . . 3.600 2.737 2.690 2.773 . 0 0 "[ . 1 . 2]" 1
834 1 78 ILE HB 1 78 ILE MD . . 3.010 2.372 2.344 2.385 . 0 0 "[ . 1 . 2]" 1
835 1 57 LYS HB2 1 57 LYS HE2 . . 5.500 4.525 3.588 5.406 . 0 0 "[ . 1 . 2]" 1
836 1 57 LYS HB2 1 57 LYS HE3 . . 5.500 4.528 3.906 5.156 . 0 0 "[ . 1 . 2]" 1
837 1 20 LEU HB3 1 23 ALA MB . . 4.000 2.920 2.826 3.005 . 0 0 "[ . 1 . 2]" 1
838 1 78 ILE MG 1 86 LEU HB3 . . 5.500 5.056 5.036 5.082 . 0 0 "[ . 1 . 2]" 1
839 1 86 LEU HB2 1 87 ALA H . . 4.240 3.666 3.660 3.683 . 0 0 "[ . 1 . 2]" 1
840 1 94 GLU HA 1 97 LEU HB3 . . 4.340 4.332 4.282 4.340 . 0 0 "[ . 1 . 2]" 1
841 1 97 LEU HB3 1 97 LEU MD1 . . 3.580 2.384 2.282 2.449 . 0 0 "[ . 1 . 2]" 1
842 1 15 LYS HE2 1 15 LYS HG2 . . 4.140 3.880 3.516 4.138 . 0 0 "[ . 1 . 2]" 1
843 1 15 LYS HE3 1 15 LYS HG2 . . 4.140 3.384 2.677 4.131 . 0 0 "[ . 1 . 2]" 1
844 1 75 TYR HB2 1 76 ILE H . . 4.150 2.511 2.440 2.593 . 0 0 "[ . 1 . 2]" 1
845 1 11 TYR HB2 1 12 VAL H . . 3.970 3.971 3.970 3.973 0.003 19 0 "[ . 1 . 2]" 1
846 1 76 ILE HB 1 97 LEU MD1 . . 5.500 4.629 4.420 4.772 . 0 0 "[ . 1 . 2]" 1
847 1 16 LEU MD1 1 76 ILE HB . . 4.290 2.041 1.970 2.176 . 0 0 "[ . 1 . 2]" 1
848 1 44 ILE HB 1 52 VAL MG1 . . 4.590 3.655 3.596 3.720 . 0 0 "[ . 1 . 2]" 1
849 1 41 LEU HA 1 44 ILE HB . . 4.230 3.379 3.319 3.437 . 0 0 "[ . 1 . 2]" 1
850 1 31 GLU HA 1 34 GLU HG3 . . 5.170 3.249 3.208 3.285 . 0 0 "[ . 1 . 2]" 1
851 1 34 GLU HG3 1 38 CYS H . . 5.000 3.608 3.574 3.624 . 0 0 "[ . 1 . 2]" 1
852 1 34 GLU HA 1 34 GLU HG2 . . 4.130 3.641 3.634 3.654 . 0 0 "[ . 1 . 2]" 1
853 1 95 ASN H 1 95 ASN HB2 . . 3.690 2.733 2.277 2.896 . 0 0 "[ . 1 . 2]" 1
854 1 92 LEU MD2 1 95 ASN HB2 . . 4.800 4.200 3.571 4.521 . 0 0 "[ . 1 . 2]" 1
855 1 94 GLU HA 1 94 GLU HG3 . . 3.720 3.643 3.520 3.705 . 0 0 "[ . 1 . 2]" 1
856 1 16 LEU MD2 1 94 GLU HG3 . . 3.810 2.870 2.603 3.067 . 0 0 "[ . 1 . 2]" 1
857 1 72 GLU HG2 1 73 PRO HD2 . . 4.690 2.759 2.217 3.859 . 0 0 "[ . 1 . 2]" 1
858 1 72 GLU HG3 1 73 PRO HD2 . . 4.690 3.431 3.070 3.823 . 0 0 "[ . 1 . 2]" 1
859 1 94 GLU H 1 94 GLU HG2 . . 3.720 2.680 2.486 3.088 . 0 0 "[ . 1 . 2]" 1
860 1 31 GLU HG2 1 32 LYS H . . 5.500 4.887 4.651 5.107 . 0 0 "[ . 1 . 2]" 1
861 1 31 GLU HG3 1 32 LYS H . . 5.500 5.140 4.841 5.442 . 0 0 "[ . 1 . 2]" 1
862 1 28 ASN HD21 1 31 GLU HG3 . . 4.600 3.045 2.473 3.433 . 0 0 "[ . 1 . 2]" 1
863 1 28 ASN HD22 1 31 GLU HG3 . . 4.600 4.168 3.667 4.580 . 0 0 "[ . 1 . 2]" 1
864 1 30 LYS HG2 1 31 GLU HG2 . . 4.540 3.691 3.354 4.471 . 0 0 "[ . 1 . 2]" 1
865 1 28 ASN HB2 1 29 VAL H . . 4.680 4.501 4.431 4.580 . 0 0 "[ . 1 . 2]" 1
866 1 28 ASN HB2 1 31 GLU H . . 4.570 4.306 4.155 4.507 . 0 0 "[ . 1 . 2]" 1
867 1 28 ASN HB2 1 31 GLU HG3 . . 5.000 4.164 3.691 4.971 . 0 0 "[ . 1 . 2]" 1
868 1 28 ASN HB3 1 28 ASN HD22 . . 4.020 3.484 3.452 3.560 . 0 0 "[ . 1 . 2]" 1
869 1 28 ASN HB3 1 31 GLU HB2 . . 3.910 2.110 1.999 2.422 . 0 0 "[ . 1 . 2]" 1
870 1 103 GLU HG3 1 104 TYR H . . 4.840 4.788 4.691 4.840 . 0 0 "[ . 1 . 2]" 1
871 1 103 GLU H 1 103 GLU HG3 . . 3.700 3.576 3.509 3.648 . 0 0 "[ . 1 . 2]" 1
872 1 27 PHE HZ 1 103 GLU HG3 . . 4.820 4.094 3.717 4.335 . 0 0 "[ . 1 . 2]" 1
873 1 27 PHE QE 1 103 GLU HG3 . . 4.410 4.026 3.829 4.279 . 0 0 "[ . 1 . 2]" 1
874 1 103 GLU HA 1 103 GLU HG3 . . 3.850 3.782 3.733 3.828 . 0 0 "[ . 1 . 2]" 1
875 1 100 VAL HA 1 103 GLU HG3 . . 4.240 2.867 2.599 3.129 . 0 0 "[ . 1 . 2]" 1
876 1 101 HIS H 1 103 GLU HG2 . . 5.120 4.607 4.503 4.726 . 0 0 "[ . 1 . 2]" 1
877 1 103 GLU HG2 1 104 TYR H . . 5.290 3.934 3.880 4.017 . 0 0 "[ . 1 . 2]" 1
878 1 27 PHE QE 1 103 GLU HG2 . . 4.650 4.401 4.205 4.620 . 0 0 "[ . 1 . 2]" 1
879 1 103 GLU HA 1 103 GLU HG2 . . 3.630 3.335 3.210 3.414 . 0 0 "[ . 1 . 2]" 1
880 1 27 PHE HZ 1 103 GLU HG2 . . 4.830 4.020 3.740 4.322 . 0 0 "[ . 1 . 2]" 1
881 1 84 GLU HA 1 84 GLU HG2 . . 3.830 3.255 2.573 3.574 . 0 0 "[ . 1 . 2]" 1
882 1 84 GLU H 1 84 GLU HG3 . . 4.510 4.139 2.736 4.491 . 0 0 "[ . 1 . 2]" 1
883 1 84 GLU HG3 1 85 GLY H . . 4.330 4.061 3.839 4.213 . 0 0 "[ . 1 . 2]" 1
884 1 47 GLU HA 1 47 GLU HG2 . . 3.250 2.805 2.667 2.988 . 0 0 "[ . 1 . 2]" 1
885 1 47 GLU HG3 1 92 LEU MD1 . . 3.260 3.177 3.079 3.268 0.008 19 0 "[ . 1 . 2]" 1
886 1 47 GLU HG2 1 48 THR H . . 4.780 4.609 4.402 4.732 . 0 0 "[ . 1 . 2]" 1
887 1 80 HIS HB3 1 86 LEU HB2 . . 4.480 2.107 2.049 2.135 . 0 0 "[ . 1 . 2]" 1
888 1 63 GLU H 1 63 GLU HG3 . . 4.020 3.813 3.799 3.827 . 0 0 "[ . 1 . 2]" 1
889 1 63 GLU HG3 1 70 ALA MB . . 4.040 3.833 3.696 3.961 . 0 0 "[ . 1 . 2]" 1
890 1 40 TYR HB2 1 96 LEU MD1 . . 4.340 3.884 3.776 3.944 . 0 0 "[ . 1 . 2]" 1
891 1 40 TYR HB2 1 96 LEU MD2 . . 4.610 4.600 4.575 4.615 0.005 18 0 "[ . 1 . 2]" 1
892 1 40 TYR HB3 1 96 LEU MD1 . . 4.120 2.391 2.281 2.477 . 0 0 "[ . 1 . 2]" 1
893 1 82 LYS HB3 1 85 GLY H . . 4.220 4.106 3.941 4.223 0.003 20 0 "[ . 1 . 2]" 1
894 1 42 GLN HA 1 45 GLN HG3 . . 4.450 3.613 3.591 3.655 . 0 0 "[ . 1 . 2]" 1
895 1 45 GLN HG3 1 52 VAL MG2 . . 4.030 2.471 2.382 2.540 . 0 0 "[ . 1 . 2]" 1
896 1 45 GLN H 1 45 GLN HG2 . . 3.870 3.871 3.870 3.872 0.002 18 0 "[ . 1 . 2]" 1
897 1 95 ASN HA 1 98 GLN HG2 . . 4.350 4.039 3.592 4.346 . 0 0 "[ . 1 . 2]" 1
898 1 98 GLN HA 1 98 GLN HG2 . . 3.720 2.546 2.336 2.839 . 0 0 "[ . 1 . 2]" 1
899 1 98 GLN HA 1 98 GLN HG3 . . 3.720 3.665 3.605 3.707 . 0 0 "[ . 1 . 2]" 1
900 1 42 GLN H 1 42 GLN HG3 . . 3.990 3.588 3.359 3.854 . 0 0 "[ . 1 . 2]" 1
901 1 42 GLN HG3 1 46 ILE MD . . 4.350 4.132 3.895 4.285 . 0 0 "[ . 1 . 2]" 1
902 1 42 GLN HA 1 42 GLN HG2 . . 3.750 2.301 2.140 2.534 . 0 0 "[ . 1 . 2]" 1
903 1 16 LEU HG 1 90 LYS HB2 . . 5.230 4.988 4.892 5.033 . 0 0 "[ . 1 . 2]" 1
904 1 90 LYS HB3 1 91 LYS H . . 4.250 2.742 2.671 2.873 . 0 0 "[ . 1 . 2]" 1
905 1 87 ALA HA 1 90 LYS HB3 . . 3.720 3.213 3.190 3.255 . 0 0 "[ . 1 . 2]" 1
906 1 90 LYS HB2 1 90 LYS HD2 . . 3.810 2.752 2.679 2.858 . 0 0 "[ . 1 . 2]" 1
907 1 23 ALA MB 1 29 VAL HB . . 4.400 3.163 3.016 3.277 . 0 0 "[ . 1 . 2]" 1
908 1 13 GLN HG2 1 14 ASP H . . 4.660 4.141 3.973 4.610 . 0 0 "[ . 1 . 2]" 1
909 1 74 MET HG2 1 75 TYR H . . 4.400 4.035 3.971 4.093 . 0 0 "[ . 1 . 2]" 1
910 1 29 VAL MG2 1 33 VAL HB . . 4.260 3.151 2.991 3.269 . 0 0 "[ . 1 . 2]" 1
911 1 33 VAL MG1 1 74 MET HG2 . . 5.500 5.244 5.163 5.320 . 0 0 "[ . 1 . 2]" 1
912 1 33 VAL MG1 1 74 MET HG3 . . 5.500 3.870 3.757 3.983 . 0 0 "[ . 1 . 2]" 1
913 1 13 GLN HB3 1 14 ASP H . . 4.090 3.481 2.524 3.963 . 0 0 "[ . 1 . 2]" 1
914 1 91 LYS HB2 1 92 LEU MD2 . . 5.500 4.303 4.051 4.721 . 0 0 "[ . 1 . 2]" 1
915 1 91 LYS HB3 1 92 LEU MD2 . . 5.430 4.166 3.818 4.392 . 0 0 "[ . 1 . 2]" 1
916 1 97 LEU HA 1 100 VAL HB . . 4.300 4.237 4.205 4.275 . 0 0 "[ . 1 . 2]" 1
917 1 24 VAL HB 1 25 PRO HD2 . . 3.490 1.956 1.949 1.971 . 0 0 "[ . 1 . 2]" 1
918 1 47 GLU HB3 1 92 LEU MD1 . . 3.960 2.532 2.388 2.734 . 0 0 "[ . 1 . 2]" 1
919 1 47 GLU HB3 1 48 THR MG . . 4.040 3.201 3.072 3.402 . 0 0 "[ . 1 . 2]" 1
920 1 31 GLU HB2 1 32 LYS H . . 3.900 3.155 3.071 3.523 . 0 0 "[ . 1 . 2]" 1
921 1 31 GLU HB3 1 32 LYS H . . 4.270 3.670 3.244 3.853 . 0 0 "[ . 1 . 2]" 1
922 1 28 ASN HB2 1 31 GLU HB2 . . 3.740 3.245 2.966 3.603 . 0 0 "[ . 1 . 2]" 1
923 1 31 GLU HB2 1 32 LYS HG2 . . 4.780 3.658 3.474 4.218 . 0 0 "[ . 1 . 2]" 1
924 1 31 GLU HB3 1 32 LYS HG2 . . 5.150 4.155 3.466 4.407 . 0 0 "[ . 1 . 2]" 1
925 1 16 LEU MD2 1 90 LYS HD3 . . 4.130 4.109 3.711 4.142 0.012 13 0 "[ . 1 . 2]" 1
926 1 78 ILE MD 1 90 LYS HD2 . . 4.680 4.682 4.681 4.684 0.004 12 0 "[ . 1 . 2]" 1
927 1 90 LYS HB3 1 90 LYS HD3 . . 3.740 2.322 2.225 2.549 . 0 0 "[ . 1 . 2]" 1
928 1 15 LYS HD3 1 17 PHE HZ . . 4.650 3.943 3.078 4.635 . 0 0 "[ . 1 . 2]" 1
929 1 15 LYS HB3 1 15 LYS HD3 . . 4.160 3.230 2.651 3.546 . 0 0 "[ . 1 . 2]" 1
930 1 15 LYS HB2 1 15 LYS HD3 . . 4.160 3.868 3.597 4.014 . 0 0 "[ . 1 . 2]" 1
931 1 15 LYS HB3 1 15 LYS HD2 . . 4.160 2.213 2.040 2.432 . 0 0 "[ . 1 . 2]" 1
932 1 15 LYS HB2 1 15 LYS HD2 . . 4.160 3.032 2.622 3.546 . 0 0 "[ . 1 . 2]" 1
933 1 103 GLU H 1 103 GLU HB2 . . 3.490 2.654 2.606 2.678 . 0 0 "[ . 1 . 2]" 1
934 1 100 VAL HA 1 103 GLU HB2 . . 3.770 3.294 3.208 3.347 . 0 0 "[ . 1 . 2]" 1
935 1 27 PHE HZ 1 103 GLU HB2 . . 4.760 2.338 2.046 2.591 . 0 0 "[ . 1 . 2]" 1
936 1 103 GLU HB3 1 104 TYR H . . 4.030 3.735 3.629 3.806 . 0 0 "[ . 1 . 2]" 1
937 1 27 PHE HZ 1 103 GLU HB3 . . 4.810 3.872 3.582 4.094 . 0 0 "[ . 1 . 2]" 1
938 1 91 LYS H 1 91 LYS HD2 . . 5.500 4.658 3.746 5.222 . 0 0 "[ . 1 . 2]" 1
939 1 91 LYS H 1 91 LYS HD3 . . 5.500 4.796 3.686 5.267 . 0 0 "[ . 1 . 2]" 1
940 1 91 LYS HB3 1 91 LYS HD2 . . 4.080 3.184 2.178 3.902 . 0 0 "[ . 1 . 2]" 1
941 1 91 LYS HB3 1 91 LYS HD3 . . 4.080 2.418 2.005 3.373 . 0 0 "[ . 1 . 2]" 1
942 1 45 GLN HB3 1 46 ILE H . . 4.190 3.696 3.691 3.721 . 0 0 "[ . 1 . 2]" 1
943 1 42 GLN H 1 42 GLN HB3 . . 3.710 3.490 3.485 3.494 . 0 0 "[ . 1 . 2]" 1
944 1 39 SER HA 1 42 GLN HB3 . . 3.680 3.668 3.644 3.681 0.001 19 0 "[ . 1 . 2]" 1
945 1 98 GLN H 1 98 GLN HB2 . . 3.570 2.346 2.239 2.698 . 0 0 "[ . 1 . 2]" 1
946 1 90 LYS HA 1 93 CYS HB3 . . 4.250 4.233 4.130 4.251 0.001 8 0 "[ . 1 . 2]" 1
947 1 106 ARG HA 1 106 ARG HG3 . . 3.820 3.335 2.898 3.634 . 0 0 "[ . 1 . 2]" 1
948 1 76 ILE HG13 1 97 LEU MD2 . . 4.290 4.094 3.534 4.201 . 0 0 "[ . 1 . 2]" 1
949 1 106 ARG HA 1 106 ARG HG2 . . 3.820 2.227 2.061 2.526 . 0 0 "[ . 1 . 2]" 1
950 1 44 ILE MD 1 96 LEU HG . . 4.500 4.106 4.037 4.197 . 0 0 "[ . 1 . 2]" 1
951 1 96 LEU HG 1 97 LEU HA . . 4.700 4.608 4.530 4.669 . 0 0 "[ . 1 . 2]" 1
952 1 16 LEU H 1 16 LEU HG . . 4.240 3.314 3.281 3.398 . 0 0 "[ . 1 . 2]" 1
953 1 16 LEU HG 1 90 LYS HG2 . . 3.750 3.307 2.837 3.418 . 0 0 "[ . 1 . 2]" 1
954 1 78 ILE HG13 1 90 LYS HG3 . . 5.410 5.333 5.120 5.410 . 0 0 "[ . 1 . 2]" 1
955 1 97 LEU HA 1 97 LEU HG . . 4.110 2.784 2.756 2.960 . 0 0 "[ . 1 . 2]" 1
956 1 16 LEU MD1 1 78 ILE HG13 . . 4.330 2.923 2.849 3.048 . 0 0 "[ . 1 . 2]" 1
957 1 76 ILE MG 1 78 ILE HG13 . . 3.470 2.568 2.483 2.648 . 0 0 "[ . 1 . 2]" 1
958 1 52 VAL MG2 1 78 ILE HG12 . . 3.410 2.105 1.963 2.181 . 0 0 "[ . 1 . 2]" 1
959 1 34 GLU HA 1 41 LEU HG . . 4.410 4.286 4.275 4.291 . 0 0 "[ . 1 . 2]" 1
960 1 41 LEU H 1 41 LEU HG . . 4.530 4.311 4.304 4.327 . 0 0 "[ . 1 . 2]" 1
961 1 12 VAL MG2 1 86 LEU HG . . 3.750 2.020 1.994 2.130 . 0 0 "[ . 1 . 2]" 1
962 1 41 LEU HA 1 41 LEU MD2 . . 4.240 3.783 3.781 3.783 . 0 0 "[ . 1 . 2]" 1
963 1 34 GLU HA 1 41 LEU MD2 . . 3.260 2.502 2.456 2.513 . 0 0 "[ . 1 . 2]" 1
964 1 34 GLU HB3 1 41 LEU MD2 . . 3.460 2.849 2.825 2.883 . 0 0 "[ . 1 . 2]" 1
965 1 41 LEU HB3 1 41 LEU MD2 . . 3.390 2.386 2.381 2.397 . 0 0 "[ . 1 . 2]" 1
966 1 96 LEU MD1 1 97 LEU H . . 4.980 4.836 4.742 4.880 . 0 0 "[ . 1 . 2]" 1
967 1 96 LEU H 1 96 LEU MD1 . . 4.370 4.258 4.221 4.290 . 0 0 "[ . 1 . 2]" 1
968 1 40 TYR QD 1 96 LEU MD1 . . 4.050 2.348 2.129 2.588 . 0 0 "[ . 1 . 2]" 1
969 1 33 VAL HA 1 96 LEU MD1 . . 4.270 4.034 3.943 4.154 . 0 0 "[ . 1 . 2]" 1
970 1 96 LEU HB2 1 96 LEU MD1 . . 3.600 2.019 1.963 2.154 . 0 0 "[ . 1 . 2]" 1
971 1 44 ILE HB 1 96 LEU MD1 . . 4.630 4.408 4.307 4.499 . 0 0 "[ . 1 . 2]" 1
972 1 20 LEU MD2 1 104 TYR H . . 4.370 4.180 4.063 4.291 . 0 0 "[ . 1 . 2]" 1
973 1 20 LEU MD2 1 101 HIS HD2 . . 4.050 3.357 3.155 3.558 . 0 0 "[ . 1 . 2]" 1
974 1 20 LEU MD2 1 27 PHE QE . . 3.830 2.226 2.025 2.523 . 0 0 "[ . 1 . 2]" 1
975 1 20 LEU HA 1 20 LEU MD2 . . 4.580 3.778 3.776 3.781 . 0 0 "[ . 1 . 2]" 1
976 1 20 LEU MD2 1 101 HIS HA . . 3.870 2.693 2.529 2.897 . 0 0 "[ . 1 . 2]" 1
977 1 20 LEU MD2 1 104 TYR HB3 . . 4.490 3.204 3.036 3.455 . 0 0 "[ . 1 . 2]" 1
978 1 20 LEU MD2 1 104 TYR HB2 . . 4.490 2.851 2.627 3.064 . 0 0 "[ . 1 . 2]" 1
979 1 20 LEU HB2 1 20 LEU MD2 . . 3.590 2.276 2.244 2.312 . 0 0 "[ . 1 . 2]" 1
980 1 20 LEU MD2 1 23 ALA MB . . 3.140 2.906 2.803 2.993 . 0 0 "[ . 1 . 2]" 1
981 1 30 LYS HD2 1 54 LEU MD2 . . 3.510 2.096 1.900 2.666 . 0 0 "[ . 1 . 2]" 1
982 1 54 LEU HB3 1 54 LEU MD2 . . 3.610 2.102 2.063 2.211 . 0 0 "[ . 1 . 2]" 1
983 1 15 LYS H 1 16 LEU MD1 . . 3.860 3.536 3.341 3.637 . 0 0 "[ . 1 . 2]" 1
984 1 16 LEU MD1 1 76 ILE HA . . 4.420 4.420 4.408 4.429 0.009 4 0 "[ . 1 . 2]" 1
985 1 16 LEU MD1 1 90 LYS HA . . 4.080 2.528 2.421 2.667 . 0 0 "[ . 1 . 2]" 1
986 1 16 LEU MD1 1 93 CYS HB2 . . 3.750 2.515 2.399 2.944 . 0 0 "[ . 1 . 2]" 1
987 1 16 LEU MD1 1 90 LYS HE2 . . 4.500 4.204 3.838 4.497 . 0 0 "[ . 1 . 2]" 1
988 1 16 LEU MD1 1 93 CYS HB3 . . 3.750 2.788 2.667 3.044 . 0 0 "[ . 1 . 2]" 1
989 1 16 LEU MD1 1 90 LYS HB3 . . 4.560 4.548 4.334 4.568 0.008 13 0 "[ . 1 . 2]" 1
990 1 97 LEU MD1 1 101 HIS HD2 . . 4.400 4.201 4.139 4.301 . 0 0 "[ . 1 . 2]" 1
991 1 97 LEU HA 1 97 LEU MD1 . . 3.980 3.803 3.797 3.822 . 0 0 "[ . 1 . 2]" 1
992 1 18 VAL HB 1 97 LEU MD1 . . 4.700 3.570 3.416 3.884 . 0 0 "[ . 1 . 2]" 1
993 1 92 LEU HB3 1 92 LEU MD1 . . 3.470 2.387 2.300 2.417 . 0 0 "[ . 1 . 2]" 1
994 1 92 LEU HA 1 92 LEU MD1 . . 4.280 3.827 3.817 3.831 . 0 0 "[ . 1 . 2]" 1
995 1 92 LEU HB2 1 92 LEU MD1 . . 3.330 2.275 2.246 2.344 . 0 0 "[ . 1 . 2]" 1
996 1 97 LEU HB2 1 97 LEU MD1 . . 3.290 2.306 2.206 2.401 . 0 0 "[ . 1 . 2]" 1
997 1 43 HIS HD2 1 92 LEU MD1 . . 5.020 4.302 3.976 4.790 . 0 0 "[ . 1 . 2]" 1
998 1 44 ILE H 1 92 LEU MD1 . . 5.460 4.722 4.604 4.819 . 0 0 "[ . 1 . 2]" 1
999 1 44 ILE HG13 1 92 LEU MD1 . . 4.230 4.183 4.021 4.233 0.003 6 0 "[ . 1 . 2]" 1
1000 1 16 LEU MD2 1 94 GLU H . . 3.830 2.961 2.823 3.152 . 0 0 "[ . 1 . 2]" 1
1001 1 16 LEU H 1 16 LEU MD2 . . 4.420 4.298 4.269 4.319 . 0 0 "[ . 1 . 2]" 1
1002 1 16 LEU MD2 1 93 CYS H . . 3.940 3.725 3.635 3.878 . 0 0 "[ . 1 . 2]" 1
1003 1 16 LEU MD2 1 90 LYS HA . . 3.760 2.386 2.231 2.467 . 0 0 "[ . 1 . 2]" 1
1004 1 16 LEU MD2 1 93 CYS HB2 . . 3.640 1.995 1.918 2.177 . 0 0 "[ . 1 . 2]" 1
1005 1 16 LEU MD2 1 93 CYS HB3 . . 3.640 2.388 2.138 2.617 . 0 0 "[ . 1 . 2]" 1
1006 1 16 LEU MD2 1 94 GLU HG2 . . 3.810 2.044 1.977 2.157 . 0 0 "[ . 1 . 2]" 1
1007 1 16 LEU MD2 1 90 LYS HG2 . . 3.660 2.115 2.034 2.164 . 0 0 "[ . 1 . 2]" 1
1008 1 16 LEU MD2 1 78 ILE MD . . 3.310 3.294 3.133 3.319 0.009 13 0 "[ . 1 . 2]" 1
1009 1 78 ILE MD 1 90 LYS HG2 . . 4.450 3.990 3.592 4.118 . 0 0 "[ . 1 . 2]" 1
1010 1 16 LEU MD1 1 90 LYS HG3 . . 4.150 2.414 2.320 2.510 . 0 0 "[ . 1 . 2]" 1
1011 1 78 ILE MD 1 90 LYS HG3 . . 4.090 3.131 2.934 3.209 . 0 0 "[ . 1 . 2]" 1
1012 1 13 GLN H 1 86 LEU MD1 . . 4.370 4.108 4.061 4.190 . 0 0 "[ . 1 . 2]" 1
1013 1 13 GLN HA 1 86 LEU MD1 . . 4.170 3.694 3.637 3.763 . 0 0 "[ . 1 . 2]" 1
1014 1 15 LYS H 1 86 LEU MD1 . . 5.450 4.903 4.851 4.970 . 0 0 "[ . 1 . 2]" 1
1015 1 80 HIS H 1 86 LEU MD1 . . 5.500 4.793 4.744 4.837 . 0 0 "[ . 1 . 2]" 1
1016 1 12 VAL HA 1 86 LEU MD1 . . 5.090 4.976 4.946 4.998 . 0 0 "[ . 1 . 2]" 1
1017 1 83 PRO HA 1 86 LEU MD1 . . 4.200 4.101 4.082 4.115 . 0 0 "[ . 1 . 2]" 1
1018 1 14 ASP HB2 1 86 LEU MD1 . . 3.880 1.921 1.901 1.959 . 0 0 "[ . 1 . 2]" 1
1019 1 12 VAL HB 1 86 LEU MD1 . . 3.300 3.231 3.221 3.241 . 0 0 "[ . 1 . 2]" 1
1020 1 14 ASP HB3 1 86 LEU MD1 . . 3.880 3.331 3.296 3.385 . 0 0 "[ . 1 . 2]" 1
1021 1 86 LEU HB3 1 86 LEU MD1 . . 3.500 2.194 2.189 2.196 . 0 0 "[ . 1 . 2]" 1
1022 1 12 VAL MG1 1 86 LEU MD1 . . 4.240 4.247 4.236 4.253 0.013 1 0 "[ . 1 . 2]" 1
1023 1 38 CYS HB3 1 42 GLN HG3 . . 4.450 3.930 3.619 4.322 . 0 0 "[ . 1 . 2]" 1
1024 1 38 CYS HB3 1 41 LEU HB2 . . 3.990 3.437 3.412 3.533 . 0 0 "[ . 1 . 2]" 1
1025 1 38 CYS HB2 1 41 LEU HB2 . . 5.080 4.962 4.940 5.046 . 0 0 "[ . 1 . 2]" 1
1026 1 51 LYS H 1 51 LYS HG2 . . 4.290 4.190 3.965 4.293 0.003 1 0 "[ . 1 . 2]" 1
1027 1 54 LEU MD1 1 76 ILE H . . 4.260 3.733 3.660 3.822 . 0 0 "[ . 1 . 2]" 1
1028 1 54 LEU MD1 1 55 ARG H . . 3.350 3.020 2.745 3.201 . 0 0 "[ . 1 . 2]" 1
1029 1 54 LEU MD1 1 76 ILE HA . . 3.440 2.881 2.767 3.035 . 0 0 "[ . 1 . 2]" 1
1030 1 30 LYS HA 1 54 LEU MD1 . . 3.780 3.688 3.574 3.728 . 0 0 "[ . 1 . 2]" 1
1031 1 54 LEU MD1 1 74 MET HG2 . . 4.020 4.005 3.955 4.025 0.005 17 0 "[ . 1 . 2]" 1
1032 1 33 VAL HB 1 54 LEU MD1 . . 4.090 4.057 3.975 4.092 0.002 12 0 "[ . 1 . 2]" 1
1033 1 54 LEU HB2 1 54 LEU MD1 . . 3.230 2.148 2.025 2.235 . 0 0 "[ . 1 . 2]" 1
1034 1 54 LEU HB3 1 54 LEU MD1 . . 3.480 3.154 3.097 3.177 . 0 0 "[ . 1 . 2]" 1
1035 1 82 LYS HA 1 82 LYS HG3 . . 4.240 3.745 3.717 3.783 . 0 0 "[ . 1 . 2]" 1
1036 1 80 HIS HE1 1 82 LYS HG2 . . 4.700 4.691 4.646 4.704 0.004 13 0 "[ . 1 . 2]" 1
1037 1 81 PRO HB2 1 82 LYS HG2 . . 4.470 2.894 2.870 2.907 . 0 0 "[ . 1 . 2]" 1
1038 1 91 LYS HA 1 91 LYS HG3 . . 3.930 3.182 2.683 3.735 . 0 0 "[ . 1 . 2]" 1
1039 1 97 LEU H 1 97 LEU MD2 . . 3.910 3.878 3.597 3.910 0.000 13 0 "[ . 1 . 2]" 1
1040 1 97 LEU MD2 1 101 HIS HD2 . . 3.940 2.216 2.043 2.750 . 0 0 "[ . 1 . 2]" 1
1041 1 97 LEU HA 1 97 LEU MD2 . . 2.900 1.977 1.959 2.013 . 0 0 "[ . 1 . 2]" 1
1042 1 97 LEU MD2 1 100 VAL HB . . 4.520 4.510 4.486 4.520 0.000 16 0 "[ . 1 . 2]" 1
1043 1 97 LEU HB3 1 97 LEU MD2 . . 3.440 2.362 2.344 2.370 . 0 0 "[ . 1 . 2]" 1
1044 1 78 ILE H 1 86 LEU MD2 . . 5.460 4.304 4.261 4.330 . 0 0 "[ . 1 . 2]" 1
1045 1 13 GLN HA 1 86 LEU MD2 . . 3.510 1.989 1.972 2.018 . 0 0 "[ . 1 . 2]" 1
1046 1 79 SER HA 1 86 LEU MD2 . . 3.280 3.004 2.969 3.041 . 0 0 "[ . 1 . 2]" 1
1047 1 86 LEU HA 1 86 LEU MD2 . . 3.220 1.942 1.941 1.943 . 0 0 "[ . 1 . 2]" 1
1048 1 80 HIS HB3 1 86 LEU MD2 . . 4.680 2.380 2.341 2.417 . 0 0 "[ . 1 . 2]" 1
1049 1 14 ASP HB2 1 86 LEU MD2 . . 4.000 2.723 2.623 2.790 . 0 0 "[ . 1 . 2]" 1
1050 1 12 VAL HB 1 86 LEU MD2 . . 4.070 3.518 3.501 3.571 . 0 0 "[ . 1 . 2]" 1
1051 1 86 LEU HB3 1 86 LEU MD2 . . 3.650 3.195 3.194 3.195 . 0 0 "[ . 1 . 2]" 1
1052 1 86 LEU HB2 1 86 LEU MD2 . . 3.260 2.378 2.376 2.384 . 0 0 "[ . 1 . 2]" 1
1053 1 50 ALA MB 1 86 LEU MD2 . . 5.100 3.388 3.324 3.430 . 0 0 "[ . 1 . 2]" 1
1054 1 78 ILE HB 1 86 LEU MD2 . . 3.230 2.626 2.597 2.649 . 0 0 "[ . 1 . 2]" 1
1055 1 12 VAL MG1 1 86 LEU MD2 . . 4.810 4.502 4.491 4.541 . 0 0 "[ . 1 . 2]" 1
1056 1 27 PHE QE 1 29 VAL MG1 . . 4.090 3.948 3.728 4.067 . 0 0 "[ . 1 . 2]" 1
1057 1 27 PHE QD 1 29 VAL MG1 . . 3.520 3.419 3.319 3.520 0.000 14 0 "[ . 1 . 2]" 1
1058 1 27 PHE HB3 1 29 VAL MG1 . . 4.910 4.703 4.521 4.910 0.000 14 0 "[ . 1 . 2]" 1
1059 1 20 LEU HB3 1 29 VAL MG1 . . 3.580 2.371 2.231 2.553 . 0 0 "[ . 1 . 2]" 1
1060 1 20 LEU MD2 1 29 VAL MG1 . . 3.390 3.212 3.063 3.335 . 0 0 "[ . 1 . 2]" 1
1061 1 20 LEU MD1 1 29 VAL MG1 . . 4.740 4.699 4.564 4.740 . 18 0 "[ . 1 . 2]" 1
1062 1 52 VAL HA 1 52 VAL MG1 . . 3.230 2.341 2.303 2.386 . 0 0 "[ . 1 . 2]" 1
1063 1 52 VAL MG1 1 78 ILE HA . . 4.520 3.569 3.512 3.660 . 0 0 "[ . 1 . 2]" 1
1064 1 41 LEU HA 1 52 VAL MG1 . . 4.130 3.573 3.430 3.645 . 0 0 "[ . 1 . 2]" 1
1065 1 41 LEU HG 1 52 VAL MG1 . . 3.900 1.986 1.928 2.057 . 0 0 "[ . 1 . 2]" 1
1066 1 41 LEU HB3 1 52 VAL MG1 . . 3.780 3.777 3.751 3.783 0.003 17 0 "[ . 1 . 2]" 1
1067 1 33 VAL MG1 1 74 MET ME . . 4.300 3.777 3.659 3.884 . 0 0 "[ . 1 . 2]" 1
1068 1 33 VAL MG1 1 54 LEU HG . . 4.480 4.479 4.446 4.487 0.007 7 0 "[ . 1 . 2]" 1
1069 1 32 LYS HA 1 33 VAL MG1 . . 4.920 4.852 4.846 4.858 . 0 0 "[ . 1 . 2]" 1
1070 1 33 VAL HA 1 33 VAL MG1 . . 3.300 3.200 3.199 3.200 . 0 0 "[ . 1 . 2]" 1
1071 1 32 LYS HB2 1 33 VAL MG1 . . 4.340 3.880 3.840 3.920 . 0 0 "[ . 1 . 2]" 1
1072 1 26 THR H 1 26 THR MG . . 3.430 2.378 2.097 2.547 . 0 0 "[ . 1 . 2]" 1
1073 1 26 THR HA 1 26 THR MG . . 2.700 2.344 2.285 2.391 . 0 0 "[ . 1 . 2]" 1
1074 1 25 PRO HB2 1 26 THR MG . . 4.060 3.895 3.764 3.990 . 0 0 "[ . 1 . 2]" 1
1075 1 25 PRO HD2 1 26 THR MG . . 4.360 3.549 3.202 3.781 . 0 0 "[ . 1 . 2]" 1
1076 1 100 VAL H 1 100 VAL MG1 . . 3.000 1.942 1.931 1.964 . 0 0 "[ . 1 . 2]" 1
1077 1 100 VAL MG1 1 101 HIS HA . . 4.720 3.280 3.242 3.307 . 0 0 "[ . 1 . 2]" 1
1078 1 100 VAL HA 1 100 VAL MG1 . . 3.280 3.200 3.199 3.202 . 0 0 "[ . 1 . 2]" 1
1079 1 100 VAL MG1 1 103 GLU HG2 . . 4.910 4.802 4.671 4.889 . 0 0 "[ . 1 . 2]" 1
1080 1 32 LYS HB2 1 100 VAL MG1 . . 4.250 3.980 3.896 4.049 . 0 0 "[ . 1 . 2]" 1
1081 1 32 LYS HB3 1 100 VAL MG1 . . 4.060 4.016 3.843 4.059 . 0 0 "[ . 1 . 2]" 1
1082 1 20 LEU MD2 1 100 VAL MG1 . . 4.310 3.191 2.978 3.312 . 0 0 "[ . 1 . 2]" 1
1083 1 33 VAL H 1 100 VAL MG1 . . 4.300 4.255 4.216 4.290 . 0 0 "[ . 1 . 2]" 1
1084 1 97 LEU HA 1 100 VAL MG1 . . 3.420 1.948 1.925 1.989 . 0 0 "[ . 1 . 2]" 1
1085 1 96 LEU HG 1 100 VAL MG1 . . 4.310 4.304 4.292 4.311 0.001 16 0 "[ . 1 . 2]" 1
1086 1 33 VAL H 1 33 VAL MG2 . . 4.510 3.763 3.763 3.764 . 0 0 "[ . 1 . 2]" 1
1087 1 27 PHE QE 1 29 VAL MG2 . . 4.390 2.394 2.161 2.507 . 0 0 "[ . 1 . 2]" 1
1088 1 20 LEU HB3 1 29 VAL MG2 . . 4.180 2.406 2.198 2.704 . 0 0 "[ . 1 . 2]" 1
1089 1 20 LEU HB2 1 29 VAL MG2 . . 3.730 2.562 2.391 2.806 . 0 0 "[ . 1 . 2]" 1
1090 1 20 LEU MD2 1 29 VAL MG2 . . 3.260 1.841 1.813 1.878 . 0 0 "[ . 1 . 2]" 1
1091 1 12 VAL H 1 12 VAL MG1 . . 3.560 3.180 3.164 3.185 . 0 0 "[ . 1 . 2]" 1
1092 1 12 VAL MG1 1 83 PRO HA . . 4.180 3.249 3.184 3.282 . 0 0 "[ . 1 . 2]" 1
1093 1 12 VAL MG1 1 83 PRO HD3 . . 3.880 3.292 3.220 3.318 . 0 0 "[ . 1 . 2]" 1
1094 1 12 VAL MG1 1 83 PRO HB3 . . 4.090 3.081 3.009 3.127 . 0 0 "[ . 1 . 2]" 1
1095 1 12 VAL MG1 1 83 PRO HG3 . . 4.460 4.320 4.250 4.350 . 0 0 "[ . 1 . 2]" 1
1096 1 40 TYR QD 1 96 LEU MD2 . . 3.190 2.624 2.586 2.698 . 0 0 "[ . 1 . 2]" 1
1097 1 40 TYR QE 1 96 LEU MD2 . . 4.030 4.013 3.945 4.035 0.005 6 0 "[ . 1 . 2]" 1
1098 1 96 LEU MD2 1 99 THR HB . . 4.470 4.236 4.168 4.322 . 0 0 "[ . 1 . 2]" 1
1099 1 40 TYR HB3 1 96 LEU MD2 . . 3.540 3.400 3.367 3.466 . 0 0 "[ . 1 . 2]" 1
1100 1 96 LEU MD2 1 100 VAL HB . . 4.570 3.648 3.460 3.774 . 0 0 "[ . 1 . 2]" 1
1101 1 96 LEU HB2 1 96 LEU MD2 . . 3.520 3.084 3.064 3.107 . 0 0 "[ . 1 . 2]" 1
1102 1 96 LEU HB3 1 96 LEU MD2 . . 3.520 2.065 1.989 2.126 . 0 0 "[ . 1 . 2]" 1
1103 1 16 LEU HB2 1 18 VAL MG1 . . 4.570 4.464 4.191 4.569 . 0 0 "[ . 1 . 2]" 1
1104 1 18 VAL MG1 1 75 TYR HA . . 3.400 2.663 2.517 2.804 . 0 0 "[ . 1 . 2]" 1
1105 1 18 VAL HA 1 18 VAL MG1 . . 3.090 2.305 2.286 2.326 . 0 0 "[ . 1 . 2]" 1
1106 1 18 VAL MG1 1 74 MET ME . . 5.500 4.696 4.463 4.841 . 0 0 "[ . 1 . 2]" 1
1107 1 20 LEU H 1 20 LEU MD1 . . 4.140 3.737 3.628 3.869 . 0 0 "[ . 1 . 2]" 1
1108 1 20 LEU MD1 1 22 HIS HE1 . . 3.510 2.876 2.599 3.127 . 0 0 "[ . 1 . 2]" 1
1109 1 20 LEU MD1 1 101 HIS HE1 . . 3.630 2.631 2.354 2.909 . 0 0 "[ . 1 . 2]" 1
1110 1 20 LEU MD1 1 101 HIS HD2 . . 4.410 3.835 3.567 4.044 . 0 0 "[ . 1 . 2]" 1
1111 1 20 LEU MD1 1 22 HIS HD2 . . 4.840 4.439 4.193 4.718 . 0 0 "[ . 1 . 2]" 1
1112 1 20 LEU MD1 1 104 TYR QE . . 4.170 3.838 3.579 4.050 . 0 0 "[ . 1 . 2]" 1
1113 1 20 LEU MD1 1 104 TYR QD . . 3.640 3.077 2.773 3.291 . 0 0 "[ . 1 . 2]" 1
1114 1 20 LEU HA 1 20 LEU MD1 . . 3.130 2.092 1.987 2.203 . 0 0 "[ . 1 . 2]" 1
1115 1 20 LEU MD1 1 101 HIS HA . . 3.760 3.228 2.986 3.335 . 0 0 "[ . 1 . 2]" 1
1116 1 20 LEU MD1 1 104 TYR HB3 . . 4.230 3.752 3.530 3.878 . 0 0 "[ . 1 . 2]" 1
1117 1 20 LEU MD1 1 104 TYR HB2 . . 4.230 4.158 3.938 4.234 0.004 20 0 "[ . 1 . 2]" 1
1118 1 20 LEU HB3 1 20 LEU MD1 . . 3.420 3.190 3.180 3.195 . 0 0 "[ . 1 . 2]" 1
1119 1 18 VAL MG2 1 20 LEU MD1 . . 4.110 3.858 3.771 3.914 . 0 0 "[ . 1 . 2]" 1
1120 1 20 LEU MD1 1 29 VAL MG2 . . 4.200 3.738 3.641 3.826 . 0 0 "[ . 1 . 2]" 1
1121 1 92 LEU H 1 92 LEU MD2 . . 3.920 3.496 3.283 3.655 . 0 0 "[ . 1 . 2]" 1
1122 1 92 LEU HB2 1 92 LEU MD2 . . 3.520 3.186 3.179 3.193 . 0 0 "[ . 1 . 2]" 1
1123 1 92 LEU HB3 1 92 LEU MD2 . . 3.370 2.318 2.297 2.350 . 0 0 "[ . 1 . 2]" 1
1124 1 24 VAL H 1 24 VAL MG1 . . 3.020 2.405 2.286 2.505 . 0 0 "[ . 1 . 2]" 1
1125 1 24 VAL MG1 1 107 PHE QE . . 4.450 3.971 3.754 4.277 . 0 0 "[ . 1 . 2]" 1
1126 1 24 VAL MG1 1 26 THR H . . 4.180 4.069 4.043 4.131 . 0 0 "[ . 1 . 2]" 1
1127 1 24 VAL MG1 1 104 TYR QE . . 4.270 3.280 3.021 3.501 . 0 0 "[ . 1 . 2]" 1
1128 1 24 VAL HA 1 24 VAL MG1 . . 2.930 2.198 2.122 2.316 . 0 0 "[ . 1 . 2]" 1
1129 1 24 VAL MG1 1 25 PRO HD2 . . 3.290 2.846 2.764 2.902 . 0 0 "[ . 1 . 2]" 1
1130 1 96 LEU HA 1 99 THR MG . . 4.580 4.556 4.510 4.579 . 0 0 "[ . 1 . 2]" 1
1131 1 48 THR MG 1 49 GLY H . . 4.030 3.924 3.911 3.952 . 0 0 "[ . 1 . 2]" 1
1132 1 48 THR MG 1 89 ALA H . . 3.500 2.691 2.615 2.743 . 0 0 "[ . 1 . 2]" 1
1133 1 48 THR HA 1 48 THR MG . . 2.920 2.388 2.363 2.406 . 0 0 "[ . 1 . 2]" 1
1134 1 48 THR HG1 1 48 THR MG . . 2.940 2.404 2.372 2.492 . 0 0 "[ . 1 . 2]" 1
1135 1 48 THR MG 1 89 ALA HA . . 3.030 1.932 1.908 1.945 . 0 0 "[ . 1 . 2]" 1
1136 1 44 ILE HA 1 48 THR MG . . 4.240 3.395 3.337 3.497 . 0 0 "[ . 1 . 2]" 1
1137 1 48 THR MG 1 92 LEU HB2 . . 3.590 3.218 3.160 3.307 . 0 0 "[ . 1 . 2]" 1
1138 1 47 GLU HB2 1 48 THR MG . . 3.620 3.086 2.879 3.233 . 0 0 "[ . 1 . 2]" 1
1139 1 48 THR MG 1 92 LEU HG . . 3.690 3.148 3.060 3.238 . 0 0 "[ . 1 . 2]" 1
1140 1 48 THR MG 1 88 ALA MB . . 3.020 2.307 2.140 2.448 . 0 0 "[ . 1 . 2]" 1
1141 1 99 THR HA 1 99 THR MG . . 3.080 2.328 2.221 2.403 . 0 0 "[ . 1 . 2]" 1
1142 1 18 VAL MG2 1 19 GLY H . . 4.390 2.060 1.982 2.167 . 0 0 "[ . 1 . 2]" 1
1143 1 18 VAL H 1 18 VAL MG2 . . 4.110 2.159 2.080 2.321 . 0 0 "[ . 1 . 2]" 1
1144 1 18 VAL MG2 1 20 LEU H . . 3.690 2.244 2.080 2.566 . 0 0 "[ . 1 . 2]" 1
1145 1 18 VAL MG2 1 74 MET ME . . 3.830 3.645 3.413 3.807 . 0 0 "[ . 1 . 2]" 1
1146 1 18 VAL MG2 1 20 LEU MD2 . . 3.610 3.605 3.589 3.611 0.001 5 0 "[ . 1 . 2]" 1
1147 1 18 VAL HA 1 18 VAL MG2 . . 3.280 3.191 3.189 3.197 . 0 0 "[ . 1 . 2]" 1
1148 1 27 PHE QE 1 100 VAL MG2 . . 3.460 2.416 2.280 2.664 . 0 0 "[ . 1 . 2]" 1
1149 1 32 LYS HG3 1 100 VAL MG2 . . 4.050 2.467 2.387 2.551 . 0 0 "[ . 1 . 2]" 1
1150 1 20 LEU MD2 1 100 VAL MG2 . . 3.020 2.793 2.583 2.886 . 0 0 "[ . 1 . 2]" 1
1151 1 27 PHE HZ 1 100 VAL MG2 . . 3.600 2.043 1.945 2.183 . 0 0 "[ . 1 . 2]" 1
1152 1 32 LYS HA 1 100 VAL MG2 . . 4.120 4.083 4.047 4.123 0.003 3 0 "[ . 1 . 2]" 1
1153 1 32 LYS HE2 1 100 VAL MG2 . . 4.390 2.902 2.420 3.710 . 0 0 "[ . 1 . 2]" 1
1154 1 32 LYS HE3 1 100 VAL MG2 . . 4.390 2.678 2.203 3.133 . 0 0 "[ . 1 . 2]" 1
1155 1 32 LYS HB3 1 100 VAL MG2 . . 3.920 2.057 2.004 2.128 . 0 0 "[ . 1 . 2]" 1
1156 1 52 VAL MG2 1 53 PHE H . . 4.340 4.122 4.106 4.151 . 0 0 "[ . 1 . 2]" 1
1157 1 45 GLN HA 1 52 VAL MG2 . . 3.690 2.748 2.673 2.802 . 0 0 "[ . 1 . 2]" 1
1158 1 45 GLN HG2 1 52 VAL MG2 . . 3.690 2.167 2.067 2.279 . 0 0 "[ . 1 . 2]" 1
1159 1 44 ILE HB 1 52 VAL MG2 . . 3.670 3.262 3.128 3.331 . 0 0 "[ . 1 . 2]" 1
1160 1 107 PHE QD 1 108 VAL MG2 . . 4.820 4.495 4.267 4.683 . 0 0 "[ . 1 . 2]" 1
1161 1 107 PHE QD 1 108 VAL MG1 . . 4.970 4.531 4.399 4.680 . 0 0 "[ . 1 . 2]" 1
1162 1 108 VAL H 1 108 VAL MG1 . . 2.900 2.075 1.929 2.261 . 0 0 "[ . 1 . 2]" 1
1163 1 104 TYR QE 1 108 VAL MG1 . . 3.520 3.222 3.162 3.279 . 0 0 "[ . 1 . 2]" 1
1164 1 23 ALA HA 1 108 VAL MG1 . . 5.400 5.263 5.161 5.369 . 0 0 "[ . 1 . 2]" 1
1165 1 41 LEU MD1 1 76 ILE HA . . 5.500 4.902 4.801 4.958 . 0 0 "[ . 1 . 2]" 1
1166 1 41 LEU HA 1 41 LEU MD1 . . 2.970 2.184 2.172 2.187 . 0 0 "[ . 1 . 2]" 1
1167 1 34 GLU HA 1 41 LEU MD1 . . 3.610 1.938 1.927 1.942 . 0 0 "[ . 1 . 2]" 1
1168 1 40 TYR HB2 1 41 LEU MD1 . . 4.710 3.434 3.423 3.462 . 0 0 "[ . 1 . 2]" 1
1169 1 41 LEU MD1 1 52 VAL HB . . 4.400 4.252 4.137 4.337 . 0 0 "[ . 1 . 2]" 1
1170 1 50 ALA MB 1 80 HIS HD2 . . 3.180 2.144 2.107 2.157 . 0 0 "[ . 1 . 2]" 1
1171 1 50 ALA MB 1 80 HIS HB3 . . 4.210 3.781 3.725 3.822 . 0 0 "[ . 1 . 2]" 1
1172 1 48 THR HG1 1 50 ALA MB . . 3.630 3.353 3.311 3.377 . 0 0 "[ . 1 . 2]" 1
1173 1 48 THR HB 1 50 ALA MB . . 3.800 3.120 3.069 3.173 . 0 0 "[ . 1 . 2]" 1
1174 1 50 ALA MB 1 80 HIS HB2 . . 3.810 2.253 2.174 2.320 . 0 0 "[ . 1 . 2]" 1
1175 1 78 ILE MG 1 90 LYS H . . 4.120 3.852 3.712 3.911 . 0 0 "[ . 1 . 2]" 1
1176 1 78 ILE MG 1 80 HIS H . . 4.400 3.501 3.478 3.518 . 0 0 "[ . 1 . 2]" 1
1177 1 51 LYS H 1 78 ILE MG . . 4.230 3.584 3.526 3.614 . 0 0 "[ . 1 . 2]" 1
1178 1 78 ILE MG 1 79 SER H . . 3.240 2.266 2.206 2.282 . 0 0 "[ . 1 . 2]" 1
1179 1 78 ILE MG 1 89 ALA H . . 4.410 4.029 4.004 4.070 . 0 0 "[ . 1 . 2]" 1
1180 1 78 ILE H 1 78 ILE MG . . 4.090 3.817 3.812 3.820 . 0 0 "[ . 1 . 2]" 1
1181 1 78 ILE MG 1 79 SER HA . . 3.660 3.453 3.426 3.478 . 0 0 "[ . 1 . 2]" 1
1182 1 78 ILE HA 1 78 ILE MG . . 3.220 2.368 2.342 2.395 . 0 0 "[ . 1 . 2]" 1
1183 1 78 ILE MG 1 79 SER HB3 . . 5.500 4.978 4.953 5.009 . 0 0 "[ . 1 . 2]" 1
1184 1 78 ILE MG 1 80 HIS HB2 . . 3.830 2.883 2.860 2.900 . 0 0 "[ . 1 . 2]" 1
1185 1 78 ILE MG 1 86 LEU HG . . 4.590 4.567 4.532 4.580 . 0 0 "[ . 1 . 2]" 1
1186 1 78 ILE MG 1 86 LEU HB2 . . 4.440 4.429 4.401 4.440 0.000 17 0 "[ . 1 . 2]" 1
1187 1 12 VAL MG2 1 80 HIS H . . 3.740 3.080 3.013 3.097 . 0 0 "[ . 1 . 2]" 1
1188 1 12 VAL MG2 1 86 LEU H . . 3.870 3.473 3.431 3.491 . 0 0 "[ . 1 . 2]" 1
1189 1 12 VAL MG2 1 82 LYS HA . . 4.010 3.236 3.133 3.259 . 0 0 "[ . 1 . 2]" 1
1190 1 12 VAL MG2 1 83 PRO HD3 . . 3.640 3.479 3.434 3.494 . 0 0 "[ . 1 . 2]" 1
1191 1 12 VAL MG2 1 80 HIS HB3 . . 4.060 2.454 2.422 2.475 . 0 0 "[ . 1 . 2]" 1
1192 1 12 VAL MG2 1 83 PRO HB3 . . 3.780 3.405 3.388 3.470 . 0 0 "[ . 1 . 2]" 1
1193 1 12 VAL MG2 1 83 PRO HG3 . . 4.790 4.745 4.735 4.757 . 0 0 "[ . 1 . 2]" 1
1194 1 12 VAL MG2 1 86 LEU HB3 . . 3.470 2.591 2.440 2.639 . 0 0 "[ . 1 . 2]" 1
1195 1 12 VAL MG2 1 86 LEU HB2 . . 3.320 1.885 1.872 1.906 . 0 0 "[ . 1 . 2]" 1
1196 1 12 VAL MG2 1 83 PRO HB2 . . 4.360 4.340 4.325 4.352 . 0 0 "[ . 1 . 2]" 1
1197 1 16 LEU H 1 76 ILE MG . . 4.420 4.046 3.997 4.125 . 0 0 "[ . 1 . 2]" 1
1198 1 76 ILE MG 1 77 TYR H . . 3.340 2.194 2.099 2.334 . 0 0 "[ . 1 . 2]" 1
1199 1 52 VAL HA 1 76 ILE MG . . 4.210 3.818 3.754 3.906 . 0 0 "[ . 1 . 2]" 1
1200 1 24 VAL H 1 24 VAL MG2 . . 3.000 2.088 1.942 2.158 . 0 0 "[ . 1 . 2]" 1
1201 1 24 VAL MG2 1 27 PHE H . . 3.380 2.083 1.942 2.252 . 0 0 "[ . 1 . 2]" 1
1202 1 24 VAL MG2 1 107 PHE QE . . 3.260 2.249 1.988 2.468 . 0 0 "[ . 1 . 2]" 1
1203 1 24 VAL MG2 1 26 THR H . . 3.780 2.889 2.785 3.056 . 0 0 "[ . 1 . 2]" 1
1204 1 24 VAL MG2 1 107 PHE HZ . . 4.190 4.014 3.814 4.182 . 0 0 "[ . 1 . 2]" 1
1205 1 24 VAL MG2 1 107 PHE QD . . 3.720 2.715 2.544 2.824 . 0 0 "[ . 1 . 2]" 1
1206 1 24 VAL MG2 1 104 TYR QE . . 3.070 2.455 2.311 2.698 . 0 0 "[ . 1 . 2]" 1
1207 1 24 VAL HA 1 24 VAL MG2 . . 3.580 3.188 3.179 3.193 . 0 0 "[ . 1 . 2]" 1
1208 1 23 ALA HA 1 24 VAL MG2 . . 3.910 3.768 3.675 3.828 . 0 0 "[ . 1 . 2]" 1
1209 1 24 VAL MG2 1 27 PHE HB3 . . 3.960 2.684 2.530 2.822 . 0 0 "[ . 1 . 2]" 1
1210 1 24 VAL MG2 1 27 PHE HB2 . . 3.840 2.294 2.108 2.470 . 0 0 "[ . 1 . 2]" 1
1211 1 23 ALA MB 1 24 VAL MG2 . . 3.650 3.450 3.303 3.518 . 0 0 "[ . 1 . 2]" 1
1212 1 24 VAL MG2 1 111 ILE MD . . 3.410 2.515 2.150 3.018 . 0 0 "[ . 1 . 2]" 1
1213 1 23 ALA MB 1 24 VAL H . . 3.470 2.948 2.856 3.005 . 0 0 "[ . 1 . 2]" 1
1214 1 23 ALA MB 1 104 TYR QE . . 3.320 2.964 2.787 3.301 . 0 0 "[ . 1 . 2]" 1
1215 1 23 ALA MB 1 104 TYR QD . . 4.270 2.949 2.803 3.147 . 0 0 "[ . 1 . 2]" 1
1216 1 23 ALA MB 1 27 PHE HB3 . . 4.030 2.967 2.783 3.130 . 0 0 "[ . 1 . 2]" 1
1217 1 23 ALA MB 1 27 PHE HB2 . . 4.650 3.720 3.488 3.938 . 0 0 "[ . 1 . 2]" 1
1218 1 20 LEU MD1 1 23 ALA MB . . 3.460 3.391 3.284 3.459 . 0 0 "[ . 1 . 2]" 1
1219 1 70 ALA H 1 70 ALA MB . . 3.250 2.117 2.025 2.235 . 0 0 "[ . 1 . 2]" 1
1220 1 56 GLY H 1 70 ALA MB . . 3.700 3.409 3.253 3.583 . 0 0 "[ . 1 . 2]" 1
1221 1 70 ALA MB 1 71 PHE H . . 3.550 2.489 2.198 2.703 . 0 0 "[ . 1 . 2]" 1
1222 1 56 GLY HA3 1 70 ALA MB . . 3.680 3.306 3.167 3.447 . 0 0 "[ . 1 . 2]" 1
1223 1 56 GLY HA2 1 70 ALA MB . . 3.410 1.984 1.895 2.148 . 0 0 "[ . 1 . 2]" 1
1224 1 63 GLU HG2 1 70 ALA MB . . 4.650 4.335 4.143 4.467 . 0 0 "[ . 1 . 2]" 1
1225 1 65 ALA H 1 65 ALA MB . . 3.410 2.114 2.035 2.236 . 0 0 "[ . 1 . 2]" 1
1226 1 65 ALA MB 1 66 SER H . . 4.190 2.584 2.505 2.653 . 0 0 "[ . 1 . 2]" 1
1227 1 65 ALA MB 1 66 SER HA . . 4.360 4.045 4.015 4.094 . 0 0 "[ . 1 . 2]" 1
1228 1 44 ILE MG 1 93 CYS H . . 3.960 3.325 3.140 3.562 . 0 0 "[ . 1 . 2]" 1
1229 1 44 ILE MG 1 47 GLU H . . 4.920 4.484 4.410 4.559 . 0 0 "[ . 1 . 2]" 1
1230 1 44 ILE H 1 44 ILE MG . . 3.880 3.764 3.763 3.764 . 0 0 "[ . 1 . 2]" 1
1231 1 44 ILE MG 1 48 THR HG1 . . 3.370 3.115 3.010 3.228 . 0 0 "[ . 1 . 2]" 1
1232 1 44 ILE MG 1 45 GLN HA . . 4.110 3.735 3.594 3.815 . 0 0 "[ . 1 . 2]" 1
1233 1 44 ILE MG 1 89 ALA HA . . 3.400 2.610 2.598 2.623 . 0 0 "[ . 1 . 2]" 1
1234 1 44 ILE MG 1 93 CYS HG . . 3.450 2.336 2.006 2.656 . 0 0 "[ . 1 . 2]" 1
1235 1 44 ILE HG13 1 44 ILE MG . . 3.630 3.191 3.184 3.202 . 0 0 "[ . 1 . 2]" 1
1236 1 44 ILE MG 1 92 LEU HB2 . . 3.470 2.128 2.025 2.231 . 0 0 "[ . 1 . 2]" 1
1237 1 44 ILE MG 1 47 GLU HB2 . . 4.220 3.736 3.627 3.856 . 0 0 "[ . 1 . 2]" 1
1238 1 44 ILE MG 1 92 LEU HG . . 4.540 3.835 3.605 3.953 . 0 0 "[ . 1 . 2]" 1
1239 1 88 ALA MB 1 92 LEU MD1 . . 3.960 3.749 3.602 3.914 . 0 0 "[ . 1 . 2]" 1
1240 1 88 ALA H 1 89 ALA MB . . 4.150 4.132 4.115 4.149 . 0 0 "[ . 1 . 2]" 1
1241 1 48 THR HG1 1 89 ALA MB . . 3.930 3.023 2.985 3.056 . 0 0 "[ . 1 . 2]" 1
1242 1 48 THR HB 1 89 ALA MB . . 3.810 2.655 2.616 2.682 . 0 0 "[ . 1 . 2]" 1
1243 1 80 HIS HB2 1 89 ALA MB . . 4.610 4.193 4.176 4.226 . 0 0 "[ . 1 . 2]" 1
1244 1 89 ALA MB 1 93 CYS HG . . 4.780 3.491 3.149 3.810 . 0 0 "[ . 1 . 2]" 1
1245 1 44 ILE MG 1 89 ALA MB . . 3.120 2.753 2.722 2.769 . 0 0 "[ . 1 . 2]" 1
1246 1 52 VAL MG1 1 89 ALA MB . . 4.310 4.298 4.157 4.314 0.004 15 0 "[ . 1 . 2]" 1
1247 1 78 ILE MG 1 89 ALA MB . . 2.870 1.858 1.850 1.875 . 0 0 "[ . 1 . 2]" 1
1248 1 86 LEU MD2 1 89 ALA MB . . 3.740 3.472 3.401 3.530 . 0 0 "[ . 1 . 2]" 1
1249 1 89 ALA H 1 89 ALA MB . . 2.900 2.187 2.180 2.195 . 0 0 "[ . 1 . 2]" 1
1250 1 52 VAL HB 1 89 ALA MB . . 5.500 5.397 5.353 5.445 . 0 0 "[ . 1 . 2]" 1
1251 1 89 ALA MB 1 92 LEU HG . . 5.500 5.131 4.980 5.239 . 0 0 "[ . 1 . 2]" 1
1252 1 89 ALA MB 1 92 LEU MD1 . . 4.400 4.051 3.995 4.206 . 0 0 "[ . 1 . 2]" 1
1253 1 88 ALA MB 1 89 ALA H . . 3.040 2.318 2.227 2.471 . 0 0 "[ . 1 . 2]" 1
1254 1 85 GLY HA2 1 88 ALA MB . . 3.930 2.295 2.177 2.442 . 0 0 "[ . 1 . 2]" 1
1255 1 88 ALA MB 1 91 LYS HB2 . . 4.550 4.048 3.969 4.109 . 0 0 "[ . 1 . 2]" 1
1256 1 88 ALA MB 1 92 LEU HG . . 4.860 3.959 3.857 4.072 . 0 0 "[ . 1 . 2]" 1
1257 1 86 LEU H 1 87 ALA MB . . 4.980 4.493 4.438 4.509 . 0 0 "[ . 1 . 2]" 1
1258 1 87 ALA MB 1 90 LYS HB3 . . 4.650 4.491 4.466 4.589 . 0 0 "[ . 1 . 2]" 1
1259 1 101 HIS H 1 102 ALA MB . . 4.290 4.210 4.156 4.273 . 0 0 "[ . 1 . 2]" 1
1260 1 102 ALA MB 1 103 GLU H . . 3.040 2.913 2.869 2.963 . 0 0 "[ . 1 . 2]" 1
1261 1 102 ALA H 1 102 ALA MB . . 2.630 2.073 2.041 2.126 . 0 0 "[ . 1 . 2]" 1
1262 1 102 ALA MB 1 103 GLU HG2 . . 4.200 3.727 3.621 3.821 . 0 0 "[ . 1 . 2]" 1
1263 1 46 ILE MG 1 47 GLU H . . 3.800 3.750 3.712 3.767 . 0 0 "[ . 1 . 2]" 1
1264 1 43 HIS HA 1 46 ILE MG . . 4.530 4.503 4.491 4.511 . 0 0 "[ . 1 . 2]" 1
1265 1 46 ILE MG 1 47 GLU HA . . 3.720 3.674 3.567 3.717 . 0 0 "[ . 1 . 2]" 1
1266 1 46 ILE HA 1 46 ILE MG . . 2.940 2.316 2.302 2.389 . 0 0 "[ . 1 . 2]" 1
1267 1 46 ILE HG13 1 46 ILE MG . . 3.360 3.091 3.086 3.099 . 0 0 "[ . 1 . 2]" 1
1268 1 111 ILE H 1 111 ILE MG . . 3.870 3.767 3.762 3.774 . 0 0 "[ . 1 . 2]" 1
1269 1 108 VAL HA 1 111 ILE MG . . 4.410 4.138 3.979 4.340 . 0 0 "[ . 1 . 2]" 1
1270 1 62 ILE MG 1 68 ARG HA . . 3.500 3.058 3.049 3.067 . 0 0 "[ . 1 . 2]" 1
1271 1 62 ILE MG 1 64 PRO HA . . 4.190 4.120 4.113 4.127 . 0 0 "[ . 1 . 2]" 1
1272 1 62 ILE HA 1 62 ILE MG . . 3.230 2.376 2.374 2.378 . 0 0 "[ . 1 . 2]" 1
1273 1 62 ILE HG13 1 62 ILE MG . . 2.880 2.366 2.345 2.370 . 0 0 "[ . 1 . 2]" 1
1274 1 59 SER H 1 74 MET ME . . 4.150 4.068 3.832 4.152 0.002 10 0 "[ . 1 . 2]" 1
1275 1 74 MET H 1 74 MET ME . . 4.160 4.042 3.988 4.160 . 0 0 "[ . 1 . 2]" 1
1276 1 29 VAL H 1 74 MET ME . . 4.450 4.232 4.026 4.372 . 0 0 "[ . 1 . 2]" 1
1277 1 74 MET HA 1 74 MET ME . . 4.750 4.635 4.572 4.731 . 0 0 "[ . 1 . 2]" 1
1278 1 58 GLY HA2 1 74 MET ME . . 3.890 3.890 3.888 3.893 0.003 13 0 "[ . 1 . 2]" 1
1279 1 30 LYS HA 1 74 MET ME . . 3.300 2.953 2.873 3.082 . 0 0 "[ . 1 . 2]" 1
1280 1 27 PHE HA 1 27 PHE QD . . 3.810 2.605 2.423 2.793 . 0 0 "[ . 1 . 2]" 1
1281 1 107 PHE QD 1 111 ILE MD . . 4.050 2.331 2.001 2.602 . 0 0 "[ . 1 . 2]" 1
1282 1 27 PHE QD 1 107 PHE QD . . 4.580 3.305 2.974 3.563 . 0 0 "[ . 1 . 2]" 1
1283 1 11 TYR QE 1 81 PRO HB3 . . 4.850 2.776 2.751 2.795 . 0 0 "[ . 1 . 2]" 1
1284 1 11 TYR HA 1 11 TYR QD . . 3.990 2.922 2.892 2.937 . 0 0 "[ . 1 . 2]" 1
1285 1 11 TYR HA 1 12 VAL H . . 2.990 2.319 2.317 2.322 . 0 0 "[ . 1 . 2]" 1
1286 1 11 TYR QD 1 79 SER HB3 . . 4.770 4.750 4.594 4.779 0.009 3 0 "[ . 1 . 2]" 1
1287 1 12 VAL MG2 1 81 PRO HA . . 4.230 3.866 3.847 3.925 . 0 0 "[ . 1 . 2]" 1
1288 1 17 PHE HA 1 18 VAL MG1 . . 4.080 3.747 3.702 3.849 . 0 0 "[ . 1 . 2]" 1
1289 1 17 PHE HA 1 75 TYR HB2 . . 4.010 2.533 2.458 2.630 . 0 0 "[ . 1 . 2]" 1
1290 1 24 VAL HA 1 25 PRO HG2 . . 5.430 4.531 4.526 4.536 . 0 0 "[ . 1 . 2]" 1
1291 1 24 VAL HA 1 25 PRO HG3 . . 5.430 4.485 4.481 4.489 . 0 0 "[ . 1 . 2]" 1
1292 1 17 PHE HA 1 75 TYR HB3 . . 4.010 2.030 1.995 2.078 . 0 0 "[ . 1 . 2]" 1
1293 1 17 PHE HA 1 75 TYR HA . . 3.640 2.732 2.639 2.955 . 0 0 "[ . 1 . 2]" 1
1294 1 17 PHE HA 1 17 PHE QD . . 4.370 3.120 3.096 3.138 . 0 0 "[ . 1 . 2]" 1
1295 1 17 PHE HA 1 76 ILE H . . 4.140 3.586 3.521 3.784 . 0 0 "[ . 1 . 2]" 1
1296 1 17 PHE HA 1 17 PHE QE . . 4.860 4.669 4.628 4.701 . 0 0 "[ . 1 . 2]" 1
1297 1 17 PHE QE 1 72 GLU HB3 . . 4.250 2.268 2.052 2.453 . 0 0 "[ . 1 . 2]" 1
1298 1 18 VAL HA 1 97 LEU MD1 . . 3.310 2.083 1.941 2.515 . 0 0 "[ . 1 . 2]" 1
1299 1 20 LEU HA 1 23 ALA MB . . 4.350 3.397 3.257 3.601 . 0 0 "[ . 1 . 2]" 1
1300 1 20 LEU HA 1 20 LEU HG . . 4.150 2.654 2.616 2.673 . 0 0 "[ . 1 . 2]" 1
1301 1 20 LEU HA 1 22 HIS HE1 . . 3.930 3.013 2.758 3.268 . 0 0 "[ . 1 . 2]" 1
1302 1 21 GLU HA 1 21 GLU HG3 . . 3.900 3.285 2.497 3.723 . 0 0 "[ . 1 . 2]" 1
1303 1 21 GLU HA 1 21 GLU HG2 . . 3.900 3.355 2.025 3.874 . 0 0 "[ . 1 . 2]" 1
1304 1 27 PHE QD 1 29 VAL MG2 . . 4.490 3.723 3.569 3.899 . 0 0 "[ . 1 . 2]" 1
1305 1 29 VAL MG2 1 30 LYS HA . . 4.120 3.539 3.490 3.609 . 0 0 "[ . 1 . 2]" 1
1306 1 30 LYS HA 1 33 VAL MG1 . . 3.480 2.004 1.981 2.027 . 0 0 "[ . 1 . 2]" 1
1307 1 30 LYS HA 1 30 LYS HG2 . . 3.980 3.450 3.276 3.521 . 0 0 "[ . 1 . 2]" 1
1308 1 30 LYS HA 1 30 LYS HG3 . . 3.950 2.584 2.559 2.663 . 0 0 "[ . 1 . 2]" 1
1309 1 30 LYS HA 1 33 VAL HB . . 4.320 4.199 4.157 4.247 . 0 0 "[ . 1 . 2]" 1
1310 1 34 GLU HB2 1 38 CYS HA . . 3.780 3.211 3.200 3.255 . 0 0 "[ . 1 . 2]" 1
1311 1 38 CYS HA 1 41 LEU HB2 . . 4.060 3.266 3.258 3.294 . 0 0 "[ . 1 . 2]" 1
1312 1 42 GLN HA 1 46 ILE H . . 4.450 4.259 4.244 4.265 . 0 0 "[ . 1 . 2]" 1
1313 1 42 GLN HA 1 45 GLN HE21 . . 4.470 2.769 2.027 4.175 . 0 0 "[ . 1 . 2]" 1
1314 1 45 GLN HA 1 50 ALA MB . . 4.180 3.977 3.939 4.024 . 0 0 "[ . 1 . 2]" 1
1315 1 45 GLN HA 1 45 GLN HG3 . . 3.950 2.919 2.883 2.934 . 0 0 "[ . 1 . 2]" 1
1316 1 45 GLN HG2 1 52 VAL HB . . 4.270 2.676 2.615 2.721 . 0 0 "[ . 1 . 2]" 1
1317 1 47 GLU HB3 1 48 THR HA . . 5.180 4.533 4.446 4.694 . 0 0 "[ . 1 . 2]" 1
1318 1 47 GLU HB2 1 48 THR HA . . 5.500 4.786 4.606 4.899 . 0 0 "[ . 1 . 2]" 1
1319 1 54 LEU HA 1 54 LEU HG . . 4.230 2.792 2.721 2.920 . 0 0 "[ . 1 . 2]" 1
1320 1 54 LEU MD2 1 74 MET HB3 . . 3.910 3.349 3.238 3.474 . 0 0 "[ . 1 . 2]" 1
1321 1 58 GLY HA3 1 74 MET ME . . 3.890 2.861 2.788 2.947 . 0 0 "[ . 1 . 2]" 1
1322 1 30 LYS HD2 1 59 SER HB2 . . 4.750 3.940 3.639 4.690 . 0 0 "[ . 1 . 2]" 1
1323 1 54 LEU HB3 1 59 SER HB3 . . 4.550 4.225 2.321 4.512 . 0 0 "[ . 1 . 2]" 1
1324 1 61 CYS HA 1 62 ILE HG12 . . 4.470 4.011 3.955 4.058 . 0 0 "[ . 1 . 2]" 1
1325 1 61 CYS HA 1 62 ILE H . . 2.910 2.211 2.169 2.241 . 0 0 "[ . 1 . 2]" 1
1326 1 62 ILE HB 1 62 ILE MD . . 3.550 3.216 3.215 3.218 . 0 0 "[ . 1 . 2]" 1
1327 1 62 ILE MD 1 69 GLU HG3 . . 4.140 3.004 2.838 3.183 . 0 0 "[ . 1 . 2]" 1
1328 1 62 ILE MD 1 69 GLU HG2 . . 4.140 3.995 3.774 4.142 0.002 17 0 "[ . 1 . 2]" 1
1329 1 62 ILE HA 1 62 ILE MD . . 3.110 2.048 2.045 2.051 . 0 0 "[ . 1 . 2]" 1
1330 1 62 ILE MD 1 69 GLU H . . 3.790 3.792 3.791 3.793 0.003 14 0 "[ . 1 . 2]" 1
1331 1 62 ILE H 1 62 ILE MD . . 3.890 3.247 3.183 3.372 . 0 0 "[ . 1 . 2]" 1
1332 1 69 GLU HA 1 69 GLU HG2 . . 4.250 3.089 2.442 3.499 . 0 0 "[ . 1 . 2]" 1
1333 1 63 GLU HG2 1 69 GLU HA . . 4.470 3.089 3.078 3.108 . 0 0 "[ . 1 . 2]" 1
1334 1 69 GLU HA 1 70 ALA H . . 3.540 2.455 2.357 2.503 . 0 0 "[ . 1 . 2]" 1
1335 1 69 GLU HA 1 69 GLU HG3 . . 4.250 2.359 2.204 2.663 . 0 0 "[ . 1 . 2]" 1
1336 1 88 ALA HA 1 91 LYS HB2 . . 3.690 2.766 2.494 2.890 . 0 0 "[ . 1 . 2]" 1
1337 1 87 ALA MB 1 88 ALA HA . . 4.160 3.918 3.827 3.935 . 0 0 "[ . 1 . 2]" 1
1338 1 57 LYS HB2 1 73 PRO HA . . 3.920 3.708 3.452 3.884 . 0 0 "[ . 1 . 2]" 1
1339 1 73 PRO HA 1 74 MET H . . 3.010 2.399 2.350 2.511 . 0 0 "[ . 1 . 2]" 1
1340 1 76 ILE MG 1 93 CYS HB3 . . 4.710 3.446 3.274 3.606 . 0 0 "[ . 1 . 2]" 1
1341 1 76 ILE HG13 1 76 ILE MG . . 3.690 3.186 3.185 3.188 . 0 0 "[ . 1 . 2]" 1
1342 1 79 SER HB2 1 80 HIS H . . 4.000 3.878 3.868 3.909 . 0 0 "[ . 1 . 2]" 1
1343 1 11 TYR QD 1 79 SER HB2 . . 4.240 4.229 4.212 4.245 0.005 5 0 "[ . 1 . 2]" 1
1344 1 51 LYS HB2 1 79 SER HB2 . . 4.680 2.553 2.435 2.605 . 0 0 "[ . 1 . 2]" 1
1345 1 82 LYS HA 1 82 LYS HD2 . . 4.920 3.178 2.572 3.920 . 0 0 "[ . 1 . 2]" 1
1346 1 82 LYS HA 1 82 LYS HD3 . . 4.920 4.146 3.712 4.569 . 0 0 "[ . 1 . 2]" 1
1347 1 82 LYS HB3 1 83 PRO HD2 . . 4.230 1.982 1.963 2.004 . 0 0 "[ . 1 . 2]" 1
1348 1 12 VAL MG2 1 83 PRO HA . . 3.100 1.981 1.967 1.995 . 0 0 "[ . 1 . 2]" 1
1349 1 83 PRO HA 1 86 LEU HB3 . . 3.610 2.463 2.452 2.477 . 0 0 "[ . 1 . 2]" 1
1350 1 12 VAL HB 1 83 PRO HA . . 4.440 3.835 3.756 3.856 . 0 0 "[ . 1 . 2]" 1
1351 1 82 LYS HA 1 83 PRO HD2 . . 3.480 2.396 2.392 2.400 . 0 0 "[ . 1 . 2]" 1
1352 1 82 LYS HA 1 83 PRO HD3 . . 3.690 2.299 2.297 2.300 . 0 0 "[ . 1 . 2]" 1
1353 1 84 GLU HA 1 84 GLU HG3 . . 3.830 2.775 2.472 3.800 . 0 0 "[ . 1 . 2]" 1
1354 1 84 GLU HA 1 87 ALA H . . 4.050 4.007 3.982 4.021 . 0 0 "[ . 1 . 2]" 1
1355 1 78 ILE MG 1 86 LEU HA . . 3.770 2.790 2.751 2.835 . 0 0 "[ . 1 . 2]" 1
1356 1 86 LEU HA 1 89 ALA MB . . 3.610 3.015 2.959 3.075 . 0 0 "[ . 1 . 2]" 1
1357 1 86 LEU HA 1 86 LEU HG . . 3.700 3.690 3.689 3.691 . 0 0 "[ . 1 . 2]" 1
1358 1 80 HIS HB2 1 86 LEU HA . . 4.040 2.828 2.803 2.861 . 0 0 "[ . 1 . 2]" 1
1359 1 86 LEU MD1 1 87 ALA MB . . 4.190 3.755 3.708 3.796 . 0 0 "[ . 1 . 2]" 1
1360 1 87 ALA HA 1 90 LYS HB2 . . 3.970 3.646 3.580 3.795 . 0 0 "[ . 1 . 2]" 1
1361 1 87 ALA HA 1 91 LYS H . . 5.010 4.581 4.493 4.652 . 0 0 "[ . 1 . 2]" 1
1362 1 87 ALA HA 1 90 LYS H . . 4.070 3.873 3.863 3.944 . 0 0 "[ . 1 . 2]" 1
1363 1 88 ALA MB 1 89 ALA HA . . 4.010 3.711 3.604 3.758 . 0 0 "[ . 1 . 2]" 1
1364 1 48 THR HB 1 88 ALA MB . . 3.800 2.958 2.810 3.052 . 0 0 "[ . 1 . 2]" 1
1365 1 91 LYS HB2 1 92 LEU H . . 4.000 2.699 2.542 3.065 . 0 0 "[ . 1 . 2]" 1
1366 1 92 LEU HA 1 92 LEU MD2 . . 2.820 2.087 2.036 2.122 . 0 0 "[ . 1 . 2]" 1
1367 1 76 ILE MD 1 93 CYS HA . . 4.040 3.275 3.205 3.391 . 0 0 "[ . 1 . 2]" 1
1368 1 93 CYS HA 1 96 LEU MD2 . . 4.250 3.627 3.527 3.746 . 0 0 "[ . 1 . 2]" 1
1369 1 44 ILE MD 1 93 CYS HA . . 3.460 2.288 2.138 2.448 . 0 0 "[ . 1 . 2]" 1
1370 1 93 CYS HA 1 96 LEU MD1 . . 3.970 3.921 3.864 3.966 . 0 0 "[ . 1 . 2]" 1
1371 1 93 CYS HA 1 96 LEU HG . . 5.500 5.491 5.478 5.501 0.001 19 0 "[ . 1 . 2]" 1
1372 1 93 CYS HA 1 96 LEU HB3 . . 3.820 2.670 2.636 2.706 . 0 0 "[ . 1 . 2]" 1
1373 1 93 CYS HA 1 96 LEU HB2 . . 3.820 3.523 3.428 3.635 . 0 0 "[ . 1 . 2]" 1
1374 1 76 ILE MG 1 93 CYS HB2 . . 4.710 4.004 3.865 4.134 . 0 0 "[ . 1 . 2]" 1
1375 1 16 LEU MD2 1 94 GLU HA . . 3.600 3.294 3.145 3.393 . 0 0 "[ . 1 . 2]" 1
1376 1 94 GLU HA 1 97 LEU MD1 . . 3.830 2.909 2.631 3.042 . 0 0 "[ . 1 . 2]" 1
1377 1 94 GLU HA 1 97 LEU HB2 . . 3.710 2.784 2.723 2.815 . 0 0 "[ . 1 . 2]" 1
1378 1 94 GLU HA 1 94 GLU HG2 . . 3.720 2.418 2.251 2.541 . 0 0 "[ . 1 . 2]" 1
1379 1 91 LYS HA 1 94 GLU HB3 . . 5.120 4.753 4.493 5.039 . 0 0 "[ . 1 . 2]" 1
1380 1 96 LEU HA 1 96 LEU MD1 . . 3.790 3.466 3.405 3.545 . 0 0 "[ . 1 . 2]" 1
1381 1 96 LEU HA 1 96 LEU HG . . 3.830 2.543 2.516 2.575 . 0 0 "[ . 1 . 2]" 1
1382 1 96 LEU HA 1 96 LEU MD2 . . 3.700 3.527 3.494 3.559 . 0 0 "[ . 1 . 2]" 1
1383 1 97 LEU HA 1 101 HIS HD2 . . 4.410 3.186 3.014 3.305 . 0 0 "[ . 1 . 2]" 1
1384 1 98 GLN HA 1 101 HIS HB2 . . 4.090 2.504 2.413 2.592 . 0 0 "[ . 1 . 2]" 1
1385 1 98 GLN HA 1 101 HIS HB3 . . 4.090 3.842 3.739 3.944 . 0 0 "[ . 1 . 2]" 1
1386 1 98 GLN HA 1 102 ALA H . . 4.570 4.502 4.389 4.569 . 0 0 "[ . 1 . 2]" 1
1387 1 98 GLN HA 1 101 HIS H . . 4.140 3.753 3.663 3.823 . 0 0 "[ . 1 . 2]" 1
1388 1 100 VAL MG1 1 101 HIS H . . 3.890 2.193 2.090 2.266 . 0 0 "[ . 1 . 2]" 1
1389 1 32 LYS HB2 1 100 VAL MG2 . . 3.910 2.005 1.934 2.057 . 0 0 "[ . 1 . 2]" 1
1390 1 100 VAL MG2 1 101 HIS H . . 3.720 3.591 3.511 3.641 . 0 0 "[ . 1 . 2]" 1
1391 1 103 GLU H 1 103 GLU HB3 . . 3.740 3.595 3.589 3.600 . 0 0 "[ . 1 . 2]" 1
1392 1 100 VAL HA 1 103 GLU HB3 . . 4.810 4.505 4.405 4.608 . 0 0 "[ . 1 . 2]" 1
1393 1 105 SER HA 1 108 VAL HB . . 4.750 4.720 4.654 4.749 . 0 0 "[ . 1 . 2]" 1
1394 1 42 GLN HA 1 45 GLN HB2 . . 3.960 2.145 2.133 2.158 . 0 0 "[ . 1 . 2]" 1
1395 1 52 VAL MG2 1 89 ALA MB . . 3.020 2.822 2.792 2.847 . 0 0 "[ . 1 . 2]" 1
1396 1 50 ALA MB 1 52 VAL MG2 . . 2.900 2.807 2.769 2.836 . 0 0 "[ . 1 . 2]" 1
1397 1 107 PHE QE 1 111 ILE MD . . 3.790 2.294 1.940 2.727 . 0 0 "[ . 1 . 2]" 1
1398 1 10 HIS HA 1 10 HIS HD2 . . 4.410 3.372 2.437 4.356 . 0 0 "[ . 1 . 2]" 1
1399 1 12 VAL HB 1 13 GLN HA . . 5.130 4.384 4.368 4.401 . 0 0 "[ . 1 . 2]" 1
1400 1 13 GLN HA 1 79 SER HA . . 3.410 2.717 2.674 2.755 . 0 0 "[ . 1 . 2]" 1
1401 1 14 ASP HA 1 15 LYS H . . 2.990 2.452 2.451 2.454 . 0 0 "[ . 1 . 2]" 1
1402 1 20 LEU HB2 1 29 VAL MG1 . . 4.840 3.560 3.318 3.657 . 0 0 "[ . 1 . 2]" 1
1403 1 72 GLU HA 1 73 PRO HD2 . . 3.400 2.532 2.529 2.538 . 0 0 "[ . 1 . 2]" 1
1404 1 72 GLU HA 1 73 PRO HD3 . . 3.400 2.358 2.357 2.361 . 0 0 "[ . 1 . 2]" 1
1405 1 89 ALA HA 1 92 LEU MD1 . . 3.670 3.023 2.925 3.232 . 0 0 "[ . 1 . 2]" 1
1406 1 98 GLN HA 1 101 HIS HD2 . . 4.830 4.527 4.381 4.685 . 0 0 "[ . 1 . 2]" 1
1407 1 99 THR H 1 99 THR MG . . 3.820 3.775 3.768 3.782 . 0 0 "[ . 1 . 2]" 1
1408 1 99 THR MG 1 102 ALA H . . 4.910 4.515 4.435 4.580 . 0 0 "[ . 1 . 2]" 1
1409 1 99 THR MG 1 100 VAL H . . 3.920 3.198 3.030 3.410 . 0 0 "[ . 1 . 2]" 1
1410 1 43 HIS HD2 1 44 ILE HG12 . . 4.710 3.317 3.000 3.870 . 0 0 "[ . 1 . 2]" 1
1411 1 44 ILE MG 1 92 LEU HB3 . . 3.650 2.633 2.538 2.754 . 0 0 "[ . 1 . 2]" 1
1412 1 24 VAL HA 1 25 PRO HD2 . . 3.320 2.423 2.415 2.428 . 0 0 "[ . 1 . 2]" 1
1413 1 24 VAL HA 1 25 PRO HD3 . . 3.510 2.308 2.305 2.311 . 0 0 "[ . 1 . 2]" 1
1414 1 71 PHE HA 1 71 PHE QD . . 3.920 2.887 2.203 3.726 . 0 0 "[ . 1 . 2]" 1
1415 1 97 LEU HB3 1 101 HIS HD2 . . 4.220 3.061 2.848 3.153 . 0 0 "[ . 1 . 2]" 1
1416 1 75 TYR QE 1 77 TYR HB3 . . 4.690 4.564 4.447 4.629 . 0 0 "[ . 1 . 2]" 1
1417 1 72 GLU HB3 1 75 TYR QE . . 4.190 2.923 2.821 3.089 . 0 0 "[ . 1 . 2]" 1
1418 1 23 ALA HA 1 24 VAL MG1 . . 4.510 3.983 3.892 4.057 . 0 0 "[ . 1 . 2]" 1
1419 1 23 ALA HA 1 104 TYR QE . . 4.000 2.604 2.452 2.829 . 0 0 "[ . 1 . 2]" 1
1420 1 22 HIS HD2 1 23 ALA HA . . 4.170 2.969 2.660 3.229 . 0 0 "[ . 1 . 2]" 1
1421 1 23 ALA HA 1 24 VAL H . . 3.170 2.193 2.177 2.213 . 0 0 "[ . 1 . 2]" 1
1422 1 25 PRO HA 1 27 PHE H . . 4.220 4.173 4.035 4.219 . 0 0 "[ . 1 . 2]" 1
1423 1 26 THR HA 1 26 THR HB . . 2.970 2.479 2.414 2.530 . 0 0 "[ . 1 . 2]" 1
1424 1 26 THR H 1 26 THR HB . . 3.950 3.623 3.612 3.647 . 0 0 "[ . 1 . 2]" 1
1425 1 26 THR HB 1 107 PHE HZ . . 4.250 2.485 2.185 2.996 . 0 0 "[ . 1 . 2]" 1
1426 1 26 THR HB 1 107 PHE QE . . 4.550 3.497 3.225 3.965 . 0 0 "[ . 1 . 2]" 1
1427 1 27 PHE QE 1 103 GLU HB3 . . 4.560 2.530 2.338 2.861 . 0 0 "[ . 1 . 2]" 1
1428 1 27 PHE QE 1 103 GLU HB2 . . 4.480 2.133 1.998 2.347 . 0 0 "[ . 1 . 2]" 1
1429 1 27 PHE QE 1 107 PHE HB3 . . 5.500 4.163 3.819 4.438 . 0 0 "[ . 1 . 2]" 1
1430 1 28 ASN HA 1 29 VAL MG1 . . 4.010 3.667 3.627 3.714 . 0 0 "[ . 1 . 2]" 1
1431 1 28 ASN HA 1 29 VAL H . . 2.900 2.513 2.419 2.578 . 0 0 "[ . 1 . 2]" 1
1432 1 29 VAL HA 1 29 VAL MG2 . . 3.240 2.352 2.335 2.381 . 0 0 "[ . 1 . 2]" 1
1433 1 29 VAL HA 1 100 VAL MG2 . . 3.990 3.048 2.962 3.148 . 0 0 "[ . 1 . 2]" 1
1434 1 29 VAL HA 1 29 VAL MG1 . . 3.220 3.193 3.184 3.200 . 0 0 "[ . 1 . 2]" 1
1435 1 29 VAL HA 1 32 LYS HG2 . . 4.250 3.007 2.770 3.199 . 0 0 "[ . 1 . 2]" 1
1436 1 29 VAL HA 1 32 LYS HB3 . . 4.440 4.085 4.012 4.131 . 0 0 "[ . 1 . 2]" 1
1437 1 29 VAL HA 1 32 LYS HB2 . . 3.880 2.586 2.496 2.649 . 0 0 "[ . 1 . 2]" 1
1438 1 27 PHE QD 1 29 VAL HA . . 4.030 2.926 2.684 3.290 . 0 0 "[ . 1 . 2]" 1
1439 1 27 PHE QE 1 29 VAL HA . . 3.960 2.308 2.061 2.641 . 0 0 "[ . 1 . 2]" 1
1440 1 30 LYS HG2 1 31 GLU HA . . 4.620 3.520 3.423 3.597 . 0 0 "[ . 1 . 2]" 1
1441 1 31 GLU HA 1 31 GLU HG2 . . 3.300 2.263 2.045 2.757 . 0 0 "[ . 1 . 2]" 1
1442 1 32 LYS HA 1 32 LYS HG2 . . 3.830 2.953 2.854 3.071 . 0 0 "[ . 1 . 2]" 1
1443 1 32 LYS HA 1 32 LYS HD2 . . 3.790 2.108 2.016 2.321 . 0 0 "[ . 1 . 2]" 1
1444 1 33 VAL MG2 1 34 GLU HA . . 4.240 3.572 3.472 3.669 . 0 0 "[ . 1 . 2]" 1
1445 1 34 GLU HA 1 34 GLU HG3 . . 4.170 3.838 3.820 3.847 . 0 0 "[ . 1 . 2]" 1
1446 1 34 GLU HB3 1 35 GLY H . . 4.780 4.112 4.105 4.123 . 0 0 "[ . 1 . 2]" 1
1447 1 31 GLU HA 1 34 GLU HB3 . . 4.530 4.506 4.485 4.529 . 0 0 "[ . 1 . 2]" 1
1448 1 35 GLY HA3 1 36 PRO HD2 . . 3.750 2.290 2.287 2.309 . 0 0 "[ . 1 . 2]" 1
1449 1 35 GLY HA3 1 36 PRO HD3 . . 3.810 3.174 3.171 3.193 . 0 0 "[ . 1 . 2]" 1
1450 1 36 PRO HD3 1 40 TYR QE . . 4.310 3.772 3.619 3.816 . 0 0 "[ . 1 . 2]" 1
1451 1 40 TYR HA 1 43 HIS HB2 . . 4.550 3.797 3.688 3.860 . 0 0 "[ . 1 . 2]" 1
1452 1 40 TYR HA 1 43 HIS HB3 . . 4.550 3.426 3.373 3.506 . 0 0 "[ . 1 . 2]" 1
1453 1 40 TYR HA 1 40 TYR QD . . 3.000 2.537 2.534 2.539 . 0 0 "[ . 1 . 2]" 1
1454 1 36 PRO HD2 1 40 TYR QD . . 3.860 2.542 2.403 2.580 . 0 0 "[ . 1 . 2]" 1
1455 1 35 GLY HA2 1 40 TYR QD . . 4.530 3.642 3.555 3.664 . 0 0 "[ . 1 . 2]" 1
1456 1 40 TYR QE 1 96 LEU MD1 . . 4.560 3.832 3.712 3.946 . 0 0 "[ . 1 . 2]" 1
1457 1 35 GLY HA2 1 40 TYR QE . . 4.440 4.172 4.107 4.189 . 0 0 "[ . 1 . 2]" 1
1458 1 36 PRO HD2 1 40 TYR QE . . 4.130 3.078 2.975 3.108 . 0 0 "[ . 1 . 2]" 1
1459 1 32 LYS HA 1 40 TYR QE . . 4.550 4.554 4.552 4.555 0.005 18 0 "[ . 1 . 2]" 1
1460 1 40 TYR HA 1 40 TYR QE . . 4.350 4.358 4.357 4.359 0.009 9 0 "[ . 1 . 2]" 1
1461 1 41 LEU HA 1 44 ILE MD . . 3.310 3.285 3.226 3.311 0.001 18 0 "[ . 1 . 2]" 1
1462 1 41 LEU HA 1 96 LEU MD1 . . 4.270 3.882 3.774 4.005 . 0 0 "[ . 1 . 2]" 1
1463 1 41 LEU HA 1 41 LEU HG . . 3.670 2.665 2.663 2.670 . 0 0 "[ . 1 . 2]" 1
1464 1 41 LEU HA 1 44 ILE H . . 4.070 3.724 3.696 3.749 . 0 0 "[ . 1 . 2]" 1
1465 1 41 LEU HB3 1 41 LEU MD1 . . 3.450 3.175 3.174 3.176 . 0 0 "[ . 1 . 2]" 1
1466 1 43 HIS HA 1 46 ILE HB . . 3.420 3.104 3.094 3.115 . 0 0 "[ . 1 . 2]" 1
1467 1 43 HIS HA 1 47 GLU H . . 4.530 4.178 4.164 4.201 . 0 0 "[ . 1 . 2]" 1
1468 1 43 HIS HD2 1 92 LEU MD2 . . 5.500 4.700 4.445 4.975 . 0 0 "[ . 1 . 2]" 1
1469 1 43 HIS HD2 1 96 LEU MD1 . . 5.500 3.758 3.612 3.904 . 0 0 "[ . 1 . 2]" 1
1470 1 43 HIS HD2 1 47 GLU HG3 . . 4.780 4.034 3.544 4.405 . 0 0 "[ . 1 . 2]" 1
1471 1 43 HIS HD2 1 44 ILE HG13 . . 4.750 2.998 2.656 3.470 . 0 0 "[ . 1 . 2]" 1
1472 1 44 ILE HA 1 92 LEU MD1 . . 3.300 2.519 2.362 2.640 . 0 0 "[ . 1 . 2]" 1
1473 1 44 ILE HA 1 44 ILE MG . . 3.000 2.316 2.269 2.382 . 0 0 "[ . 1 . 2]" 1
1474 1 44 ILE HA 1 44 ILE HG12 . . 3.350 2.588 2.577 2.605 . 0 0 "[ . 1 . 2]" 1
1475 1 44 ILE HA 1 47 GLU HB2 . . 3.710 2.418 2.366 2.516 . 0 0 "[ . 1 . 2]" 1
1476 1 44 ILE HA 1 47 GLU HG3 . . 4.250 3.695 3.154 3.896 . 0 0 "[ . 1 . 2]" 1
1477 1 44 ILE HA 1 44 ILE HG13 . . 3.640 3.000 2.955 3.037 . 0 0 "[ . 1 . 2]" 1
1478 1 44 ILE HA 1 48 THR HG1 . . 4.560 4.223 4.201 4.302 . 0 0 "[ . 1 . 2]" 1
1479 1 44 ILE HA 1 48 THR H . . 4.580 3.955 3.915 3.997 . 0 0 "[ . 1 . 2]" 1
1480 1 41 LEU MD1 1 44 ILE MD . . 3.390 3.278 3.227 3.316 . 0 0 "[ . 1 . 2]" 1
1481 1 44 ILE MD 1 92 LEU HB3 . . 3.630 2.909 2.829 2.972 . 0 0 "[ . 1 . 2]" 1
1482 1 44 ILE HB 1 44 ILE MD . . 3.080 2.393 2.311 2.447 . 0 0 "[ . 1 . 2]" 1
1483 1 44 ILE MD 1 93 CYS HG . . 3.580 2.565 2.105 3.056 . 0 0 "[ . 1 . 2]" 1
1484 1 44 ILE HA 1 44 ILE MD . . 4.010 3.856 3.850 3.865 . 0 0 "[ . 1 . 2]" 1
1485 1 44 ILE H 1 44 ILE MD . . 3.500 3.478 3.447 3.499 . 0 0 "[ . 1 . 2]" 1
1486 1 44 ILE MD 1 93 CYS H . . 3.830 3.374 3.148 3.673 . 0 0 "[ . 1 . 2]" 1
1487 1 46 ILE HA 1 46 ILE HG12 . . 3.380 2.970 2.953 2.976 . 0 0 "[ . 1 . 2]" 1
1488 1 46 ILE HA 1 46 ILE HG13 . . 3.540 2.567 2.563 2.576 . 0 0 "[ . 1 . 2]" 1
1489 1 46 ILE H 1 46 ILE HG12 . . 4.150 4.027 4.023 4.029 . 0 0 "[ . 1 . 2]" 1
1490 1 46 ILE HG12 1 46 ILE MG . . 3.110 2.115 2.069 2.185 . 0 0 "[ . 1 . 2]" 1
1491 1 46 ILE HB 1 46 ILE MD . . 3.170 2.061 2.029 2.153 . 0 0 "[ . 1 . 2]" 1
1492 1 42 GLN HB3 1 46 ILE MD . . 4.070 2.111 2.040 2.219 . 0 0 "[ . 1 . 2]" 1
1493 1 42 GLN HG2 1 46 ILE MD . . 4.350 4.097 3.890 4.299 . 0 0 "[ . 1 . 2]" 1
1494 1 43 HIS HA 1 46 ILE MD . . 3.390 2.495 2.418 2.591 . 0 0 "[ . 1 . 2]" 1
1495 1 48 THR HA 1 92 LEU MD1 . . 4.580 4.188 4.102 4.334 . 0 0 "[ . 1 . 2]" 1
1496 1 48 THR HA 1 88 ALA MB . . 4.140 3.685 3.620 3.735 . 0 0 "[ . 1 . 2]" 1
1497 1 48 THR HA 1 50 ALA H . . 4.500 4.501 4.500 4.502 0.002 4 0 "[ . 1 . 2]" 1
1498 1 47 GLU H 1 48 THR HA . . 5.470 5.080 5.070 5.090 . 0 0 "[ . 1 . 2]" 1
1499 1 48 THR HA 1 89 ALA H . . 5.500 5.113 5.078 5.140 . 0 0 "[ . 1 . 2]" 1
1500 1 48 THR HA 1 48 THR HG1 . . 3.720 3.523 3.488 3.534 . 0 0 "[ . 1 . 2]" 1
1501 1 50 ALA HA 1 80 HIS HD2 . . 3.730 2.001 1.993 2.010 . 0 0 "[ . 1 . 2]" 1
1502 1 51 LYS HA 1 52 VAL MG2 . . 4.240 3.837 3.790 3.871 . 0 0 "[ . 1 . 2]" 1
1503 1 45 GLN HG2 1 51 LYS HA . . 4.110 3.225 3.163 3.285 . 0 0 "[ . 1 . 2]" 1
1504 1 51 LYS HA 1 51 LYS HG2 . . 3.930 2.309 2.120 2.379 . 0 0 "[ . 1 . 2]" 1
1505 1 51 LYS HA 1 51 LYS HG3 . . 4.120 2.789 2.667 3.017 . 0 0 "[ . 1 . 2]" 1
1506 1 51 LYS HG2 1 53 PHE QD . . 5.320 4.300 4.032 4.497 . 0 0 "[ . 1 . 2]" 1
1507 1 51 LYS HA 1 51 LYS HD2 . . 4.640 4.404 4.033 4.559 . 0 0 "[ . 1 . 2]" 1
1508 1 51 LYS HA 1 51 LYS HD3 . . 4.640 4.325 4.154 4.464 . 0 0 "[ . 1 . 2]" 1
1509 1 51 LYS HB2 1 53 PHE QD . . 5.330 4.640 4.482 4.773 . 0 0 "[ . 1 . 2]" 1
1510 1 51 LYS HB2 1 52 VAL H . . 4.870 4.590 4.548 4.612 . 0 0 "[ . 1 . 2]" 1
1511 1 52 VAL HA 1 52 VAL MG2 . . 3.370 2.356 2.333 2.394 . 0 0 "[ . 1 . 2]" 1
1512 1 52 VAL HA 1 78 ILE HA . . 3.630 2.446 2.430 2.462 . 0 0 "[ . 1 . 2]" 1
1513 1 41 LEU MD2 1 53 PHE HA . . 3.360 2.508 2.413 2.587 . 0 0 "[ . 1 . 2]" 1
1514 1 53 PHE HA 1 54 LEU H . . 3.210 2.185 2.156 2.205 . 0 0 "[ . 1 . 2]" 1
1515 1 34 GLU H 1 41 LEU MD2 . . 4.530 4.540 4.539 4.542 0.012 3 0 "[ . 1 . 2]" 1
1516 1 57 LYS HA 1 57 LYS HG2 . . 4.030 3.003 2.306 3.803 . 0 0 "[ . 1 . 2]" 1
1517 1 57 LYS HA 1 57 LYS HG3 . . 4.030 2.783 2.280 3.437 . 0 0 "[ . 1 . 2]" 1
1518 1 57 LYS HA 1 58 GLY H . . 3.060 2.165 2.146 2.183 . 0 0 "[ . 1 . 2]" 1
1519 1 57 LYS HA 1 57 LYS HD2 . . 5.500 4.106 2.334 4.758 . 0 0 "[ . 1 . 2]" 1
1520 1 57 LYS HA 1 57 LYS HD3 . . 5.500 4.208 3.066 4.844 . 0 0 "[ . 1 . 2]" 1
1521 1 54 LEU MD1 1 59 SER HA . . 4.190 4.191 4.190 4.193 0.003 14 0 "[ . 1 . 2]" 1
1522 1 54 LEU MD2 1 59 SER HA . . 4.110 1.914 1.883 1.953 . 0 0 "[ . 1 . 2]" 1
1523 1 54 LEU HB3 1 59 SER HA . . 4.580 3.883 3.568 4.347 . 0 0 "[ . 1 . 2]" 1
1524 1 30 LYS HD2 1 59 SER HA . . 3.930 2.043 1.990 2.231 . 0 0 "[ . 1 . 2]" 1
1525 1 59 SER HA 1 74 MET ME . . 3.580 3.450 3.175 3.582 0.002 12 0 "[ . 1 . 2]" 1
1526 1 62 ILE HA 1 62 ILE HG12 . . 4.120 3.024 3.018 3.055 . 0 0 "[ . 1 . 2]" 1
1527 1 62 ILE HA 1 69 GLU HA . . 4.050 3.185 3.162 3.217 . 0 0 "[ . 1 . 2]" 1
1528 1 63 GLU HA 1 64 PRO HG2 . . 4.620 4.114 4.114 4.115 . 0 0 "[ . 1 . 2]" 1
1529 1 63 GLU HA 1 64 PRO HD2 . . 3.280 1.913 1.912 1.913 . 0 0 "[ . 1 . 2]" 1
1530 1 63 GLU HA 1 64 PRO HD3 . . 3.280 2.519 2.518 2.520 . 0 0 "[ . 1 . 2]" 1
1531 1 68 ARG HA 1 68 ARG HD3 . . 5.050 4.519 4.018 5.003 . 0 0 "[ . 1 . 2]" 1
1532 1 63 GLU HG3 1 70 ALA HA . . 4.230 3.769 3.677 3.833 . 0 0 "[ . 1 . 2]" 1
1533 1 71 PHE HA 1 72 GLU H . . 3.550 3.505 3.471 3.529 . 0 0 "[ . 1 . 2]" 1
1534 1 72 GLU HB3 1 73 PRO HD2 . . 4.000 1.988 1.952 2.042 . 0 0 "[ . 1 . 2]" 1
1535 1 17 PHE QE 1 73 PRO HD2 . . 4.850 2.857 2.584 3.084 . 0 0 "[ . 1 . 2]" 1
1536 1 74 MET HA 1 74 MET HG2 . . 4.130 3.564 3.561 3.568 . 0 0 "[ . 1 . 2]" 1
1537 1 76 ILE HA 1 76 ILE HG12 . . 4.000 2.620 2.611 2.625 . 0 0 "[ . 1 . 2]" 1
1538 1 76 ILE HA 1 76 ILE MG . . 3.180 2.234 2.221 2.256 . 0 0 "[ . 1 . 2]" 1
1539 1 76 ILE HA 1 76 ILE HG13 . . 4.160 3.110 3.032 3.150 . 0 0 "[ . 1 . 2]" 1
1540 1 55 ARG H 1 76 ILE HA . . 4.270 3.812 3.765 3.861 . 0 0 "[ . 1 . 2]" 1
1541 1 76 ILE HA 1 77 TYR H . . 3.140 2.176 2.157 2.191 . 0 0 "[ . 1 . 2]" 1
1542 1 76 ILE MD 1 96 LEU MD1 . . 4.340 4.307 4.213 4.340 . 14 0 "[ . 1 . 2]" 1
1543 1 76 ILE MD 1 93 CYS HB3 . . 4.180 1.984 1.947 2.022 . 0 0 "[ . 1 . 2]" 1
1544 1 76 ILE MD 1 93 CYS HG . . 4.240 3.840 3.677 4.003 . 0 0 "[ . 1 . 2]" 1
1545 1 76 ILE MD 1 93 CYS HB2 . . 4.180 3.427 3.375 3.489 . 0 0 "[ . 1 . 2]" 1
1546 1 76 ILE HA 1 76 ILE MD . . 4.170 3.870 3.865 3.876 . 0 0 "[ . 1 . 2]" 1
1547 1 76 ILE H 1 76 ILE MD . . 3.870 3.604 3.564 3.633 . 0 0 "[ . 1 . 2]" 1
1548 1 16 LEU H 1 76 ILE MD . . 4.660 4.583 4.512 4.665 0.005 9 0 "[ . 1 . 2]" 1
1549 1 76 ILE MG 1 77 TYR HA . . 4.390 3.822 3.767 3.879 . 0 0 "[ . 1 . 2]" 1
1550 1 77 TYR HA 1 78 ILE HG13 . . 4.570 3.806 3.781 3.835 . 0 0 "[ . 1 . 2]" 1
1551 1 77 TYR HA 1 77 TYR QD . . 3.850 3.113 3.107 3.135 . 0 0 "[ . 1 . 2]" 1
1552 1 75 TYR QE 1 77 TYR HB2 . . 4.690 2.958 2.852 3.032 . 0 0 "[ . 1 . 2]" 1
1553 1 27 PHE HB3 1 104 TYR QE . . 5.060 4.632 4.423 4.886 . 0 0 "[ . 1 . 2]" 1
1554 1 104 TYR QE 1 107 PHE HB3 . . 5.400 4.569 4.380 4.709 . 0 0 "[ . 1 . 2]" 1
1555 1 52 VAL MG2 1 78 ILE HA . . 3.750 2.817 2.743 2.934 . 0 0 "[ . 1 . 2]" 1
1556 1 78 ILE HA 1 78 ILE HG13 . . 4.200 2.867 2.823 2.895 . 0 0 "[ . 1 . 2]" 1
1557 1 16 LEU MD1 1 78 ILE MD . . 3.240 2.072 2.026 2.156 . 0 0 "[ . 1 . 2]" 1
1558 1 78 ILE MD 1 89 ALA MB . . 3.540 1.881 1.864 1.908 . 0 0 "[ . 1 . 2]" 1
1559 1 78 ILE MD 1 90 LYS HB2 . . 3.640 2.773 2.547 2.830 . 0 0 "[ . 1 . 2]" 1
1560 1 78 ILE MD 1 90 LYS HB3 . . 4.200 3.929 3.761 3.974 . 0 0 "[ . 1 . 2]" 1
1561 1 14 ASP HB3 1 78 ILE MD . . 4.280 2.644 2.504 2.717 . 0 0 "[ . 1 . 2]" 1
1562 1 78 ILE MD 1 93 CYS HB3 . . 4.350 4.073 3.916 4.178 . 0 0 "[ . 1 . 2]" 1
1563 1 78 ILE MD 1 93 CYS HG . . 3.980 2.510 2.042 2.899 . 0 0 "[ . 1 . 2]" 1
1564 1 78 ILE MD 1 93 CYS HB2 . . 4.350 3.175 3.002 3.295 . 0 0 "[ . 1 . 2]" 1
1565 1 78 ILE MD 1 90 LYS HA . . 3.170 2.141 2.090 2.194 . 0 0 "[ . 1 . 2]" 1
1566 1 78 ILE MD 1 93 CYS H . . 4.480 3.865 3.793 3.936 . 0 0 "[ . 1 . 2]" 1
1567 1 16 LEU H 1 78 ILE MD . . 5.060 4.966 4.900 5.020 . 0 0 "[ . 1 . 2]" 1
1568 1 14 ASP H 1 78 ILE MD . . 4.760 4.553 4.465 4.603 . 0 0 "[ . 1 . 2]" 1
1569 1 51 LYS HB2 1 79 SER HB3 . . 4.970 3.950 3.760 4.111 . 0 0 "[ . 1 . 2]" 1
1570 1 77 TYR QE 1 79 SER HB3 . . 3.970 2.987 2.855 3.050 . 0 0 "[ . 1 . 2]" 1
1571 1 11 TYR HB3 1 79 SER HB2 . . 5.500 5.501 5.490 5.519 0.019 5 0 "[ . 1 . 2]" 1
1572 1 11 TYR HB3 1 81 PRO HA . . 3.980 3.489 3.448 3.508 . 0 0 "[ . 1 . 2]" 1
1573 1 11 TYR HB2 1 81 PRO HA . . 4.400 4.366 4.325 4.392 . 0 0 "[ . 1 . 2]" 1
1574 1 11 TYR QD 1 81 PRO HA . . 4.410 2.962 2.939 2.999 . 0 0 "[ . 1 . 2]" 1
1575 1 82 LYS HA 1 82 LYS HG2 . . 4.050 2.624 2.600 2.680 . 0 0 "[ . 1 . 2]" 1
1576 1 82 LYS HB2 1 83 PRO HD2 . . 4.610 3.473 3.394 3.582 . 0 0 "[ . 1 . 2]" 1
1577 1 83 PRO HA 1 86 LEU HB2 . . 3.860 2.970 2.960 3.009 . 0 0 "[ . 1 . 2]" 1
1578 1 83 PRO HA 1 86 LEU H . . 4.020 3.591 3.581 3.620 . 0 0 "[ . 1 . 2]" 1
1579 1 12 VAL MG2 1 83 PRO HG2 . . 4.940 4.944 4.936 4.957 0.017 9 0 "[ . 1 . 2]" 1
1580 1 12 VAL MG1 1 83 PRO HG2 . . 5.210 5.180 5.105 5.211 0.001 20 0 "[ . 1 . 2]" 1
1581 1 84 GLU HA 1 87 ALA MB . . 3.530 3.401 3.318 3.467 . 0 0 "[ . 1 . 2]" 1
1582 1 84 GLU HA 1 88 ALA H . . 5.170 4.865 4.834 4.875 . 0 0 "[ . 1 . 2]" 1
1583 1 85 GLY HA3 1 88 ALA MB . . 3.930 3.696 3.636 3.810 . 0 0 "[ . 1 . 2]" 1
1584 1 80 HIS HB3 1 86 LEU HA . . 4.150 3.221 3.209 3.250 . 0 0 "[ . 1 . 2]" 1
1585 1 76 ILE MG 1 90 LYS HA . . 5.160 4.760 4.699 4.887 . 0 0 "[ . 1 . 2]" 1
1586 1 78 ILE MG 1 90 LYS HA . . 5.500 4.681 4.638 4.748 . 0 0 "[ . 1 . 2]" 1
1587 1 90 LYS HA 1 90 LYS HG3 . . 3.720 2.725 2.673 2.916 . 0 0 "[ . 1 . 2]" 1
1588 1 90 LYS HA 1 90 LYS HG2 . . 4.070 2.712 2.480 2.791 . 0 0 "[ . 1 . 2]" 1
1589 1 90 LYS HA 1 90 LYS HD2 . . 5.000 4.566 4.529 4.619 . 0 0 "[ . 1 . 2]" 1
1590 1 90 LYS HA 1 90 LYS HD3 . . 5.280 4.536 4.388 4.585 . 0 0 "[ . 1 . 2]" 1
1591 1 90 LYS HA 1 93 CYS HG . . 4.350 3.872 3.426 4.281 . 0 0 "[ . 1 . 2]" 1
1592 1 90 LYS HA 1 93 CYS HB2 . . 4.250 2.669 2.574 2.702 . 0 0 "[ . 1 . 2]" 1
1593 1 91 LYS HA 1 91 LYS HG2 . . 3.930 2.410 2.206 2.747 . 0 0 "[ . 1 . 2]" 1
1594 1 91 LYS HA 1 91 LYS HD2 . . 5.200 4.493 4.083 4.762 . 0 0 "[ . 1 . 2]" 1
1595 1 91 LYS HA 1 91 LYS HD3 . . 5.200 4.050 3.028 4.554 . 0 0 "[ . 1 . 2]" 1
1596 1 90 LYS HB3 1 91 LYS HA . . 4.140 4.141 4.140 4.142 0.002 14 0 "[ . 1 . 2]" 1
1597 1 91 LYS HA 1 94 GLU HG2 . . 4.830 4.468 4.068 4.759 . 0 0 "[ . 1 . 2]" 1
1598 1 91 LYS HA 1 94 GLU HB2 . . 3.520 3.153 2.895 3.493 . 0 0 "[ . 1 . 2]" 1
1599 1 91 LYS HA 1 94 GLU HG3 . . 4.830 3.188 2.566 3.530 . 0 0 "[ . 1 . 2]" 1
1600 1 91 LYS HA 1 95 ASN H . . 5.040 4.671 4.551 4.858 . 0 0 "[ . 1 . 2]" 1
1601 1 92 LEU HA 1 92 LEU HG . . 3.650 3.044 2.999 3.148 . 0 0 "[ . 1 . 2]" 1
1602 1 95 ASN HA 1 98 GLN HG3 . . 4.350 3.226 2.151 3.609 . 0 0 "[ . 1 . 2]" 1
1603 1 99 THR HA 1 102 ALA MB . . 3.070 2.915 2.849 2.965 . 0 0 "[ . 1 . 2]" 1
1604 1 99 THR HB 1 100 VAL MG1 . . 4.060 3.742 3.724 3.778 . 0 0 "[ . 1 . 2]" 1
1605 1 96 LEU HA 1 99 THR HB . . 3.580 3.472 3.381 3.569 . 0 0 "[ . 1 . 2]" 1
1606 1 99 THR HB 1 100 VAL H . . 3.660 2.188 2.147 2.222 . 0 0 "[ . 1 . 2]" 1
1607 1 99 THR MG 1 103 GLU HG2 . . 4.120 3.512 3.390 3.659 . 0 0 "[ . 1 . 2]" 1
1608 1 100 VAL HA 1 100 VAL MG2 . . 3.110 2.383 2.368 2.393 . 0 0 "[ . 1 . 2]" 1
1609 1 100 VAL HA 1 103 GLU HG2 . . 3.770 2.161 2.002 2.301 . 0 0 "[ . 1 . 2]" 1
1610 1 100 VAL HA 1 103 GLU H . . 3.660 3.297 3.226 3.341 . 0 0 "[ . 1 . 2]" 1
1611 1 100 VAL MG2 1 101 HIS HA . . 4.050 3.519 3.473 3.548 . 0 0 "[ . 1 . 2]" 1
1612 1 101 HIS HA 1 104 TYR HB2 . . 4.180 4.022 3.885 4.174 . 0 0 "[ . 1 . 2]" 1
1613 1 101 HIS HA 1 104 TYR HB3 . . 4.180 3.266 3.143 3.382 . 0 0 "[ . 1 . 2]" 1
1614 1 101 HIS HA 1 101 HIS HD2 . . 4.020 3.236 3.149 3.332 . 0 0 "[ . 1 . 2]" 1
1615 1 101 HIS HA 1 105 SER H . . 4.590 4.537 4.419 4.589 . 0 0 "[ . 1 . 2]" 1
1616 1 102 ALA HA 1 105 SER H . . 3.800 3.683 3.608 3.765 . 0 0 "[ . 1 . 2]" 1
1617 1 102 ALA HA 1 106 ARG H . . 4.780 4.722 4.517 4.774 . 0 0 "[ . 1 . 2]" 1
1618 1 101 HIS HA 1 102 ALA HA . . 5.160 4.740 4.704 4.769 . 0 0 "[ . 1 . 2]" 1
1619 1 102 ALA HA 1 103 GLU HA . . 5.500 4.767 4.753 4.784 . 0 0 "[ . 1 . 2]" 1
1620 1 102 ALA HA 1 104 TYR H . . 4.670 4.506 4.375 4.641 . 0 0 "[ . 1 . 2]" 1
1621 1 104 TYR HA 1 107 PHE HB3 . . 3.630 2.477 2.284 2.584 . 0 0 "[ . 1 . 2]" 1
1622 1 104 TYR HA 1 107 PHE HB2 . . 4.150 3.141 2.948 3.310 . 0 0 "[ . 1 . 2]" 1
1623 1 104 TYR HA 1 104 TYR QD . . 3.450 2.345 2.265 2.421 . 0 0 "[ . 1 . 2]" 1
1624 1 27 PHE QE 1 104 TYR HA . . 4.130 2.965 2.650 3.241 . 0 0 "[ . 1 . 2]" 1
1625 1 104 TYR HA 1 104 TYR QE . . 4.810 4.554 4.525 4.583 . 0 0 "[ . 1 . 2]" 1
1626 1 104 TYR HA 1 107 PHE QD . . 4.500 4.363 4.159 4.456 . 0 0 "[ . 1 . 2]" 1
1627 1 27 PHE HZ 1 104 TYR HA . . 4.530 4.113 3.837 4.322 . 0 0 "[ . 1 . 2]" 1
1628 1 107 PHE HA 1 107 PHE QD . . 3.490 3.074 2.970 3.125 . 0 0 "[ . 1 . 2]" 1
1629 1 107 PHE HA 1 110 GLN H . . 4.540 3.911 3.528 4.308 . 0 0 "[ . 1 . 2]" 1
1630 1 108 VAL HA 1 108 VAL MG2 . . 3.240 2.292 2.197 2.363 . 0 0 "[ . 1 . 2]" 1
1631 1 108 VAL HA 1 111 ILE MD . . 3.480 2.172 1.978 2.434 . 0 0 "[ . 1 . 2]" 1
1632 1 108 VAL HA 1 111 ILE HG13 . . 4.110 2.512 2.189 2.735 . 0 0 "[ . 1 . 2]" 1
1633 1 108 VAL HA 1 111 ILE HB . . 4.090 2.925 2.631 3.260 . 0 0 "[ . 1 . 2]" 1
1634 1 107 PHE QD 1 108 VAL HA . . 4.160 3.003 2.745 3.258 . 0 0 "[ . 1 . 2]" 1
1635 1 108 VAL MG2 1 109 ASN HA . . 4.160 3.750 3.629 3.928 . 0 0 "[ . 1 . 2]" 1
1636 1 108 VAL MG1 1 109 ASN HA . . 4.580 3.403 3.272 3.509 . 0 0 "[ . 1 . 2]" 1
1637 1 111 ILE HA 1 111 ILE MG . . 3.090 2.335 2.288 2.382 . 0 0 "[ . 1 . 2]" 1
1638 1 111 ILE HA 1 111 ILE HG13 . . 3.530 3.068 2.936 3.160 . 0 0 "[ . 1 . 2]" 1
1639 1 111 ILE HA 1 111 ILE HG12 . . 3.530 2.576 2.525 2.610 . 0 0 "[ . 1 . 2]" 1
1640 1 111 ILE HB 1 111 ILE MD . . 3.370 2.349 2.270 2.434 . 0 0 "[ . 1 . 2]" 1
1641 1 108 VAL HA 1 111 ILE HG12 . . 4.110 4.003 3.731 4.108 . 0 0 "[ . 1 . 2]" 1
1642 1 115 VAL HA 1 116 PRO HD3 . . 3.180 2.499 2.498 2.501 . 0 0 "[ . 1 . 2]" 1
1643 1 115 VAL HA 1 116 PRO HD2 . . 3.180 1.912 1.912 1.913 . 0 0 "[ . 1 . 2]" 1
1644 1 115 VAL HA 1 115 VAL MG1 . . 3.620 2.327 2.245 2.389 . 0 0 "[ . 1 . 2]" 1
1645 1 115 VAL HA 1 115 VAL MG2 . . 3.620 2.361 2.281 2.423 . 0 0 "[ . 1 . 2]" 1
1646 1 117 LEU HA 1 118 PRO HD3 . . 3.430 2.311 2.305 2.315 . 0 0 "[ . 1 . 2]" 1
1647 1 117 LEU HA 1 118 PRO HD2 . . 3.430 2.427 2.415 2.438 . 0 0 "[ . 1 . 2]" 1
1648 1 15 LYS HA 1 15 LYS HG2 . . 4.100 2.144 2.076 2.204 . 0 0 "[ . 1 . 2]" 1
1649 1 30 LYS HE3 1 30 LYS HG3 . . 4.050 3.564 3.116 4.051 0.001 18 0 "[ . 1 . 2]" 1
1650 1 76 ILE HG12 1 76 ILE MG . . 3.500 2.341 2.317 2.352 . 0 0 "[ . 1 . 2]" 1
1651 1 33 VAL MG2 1 76 ILE HG12 . . 3.900 2.455 2.267 2.549 . 0 0 "[ . 1 . 2]" 1
1652 1 33 VAL MG1 1 76 ILE HG12 . . 4.600 4.255 4.177 4.331 . 0 0 "[ . 1 . 2]" 1
1653 1 41 LEU MD2 1 76 ILE HG12 . . 5.000 4.652 4.509 4.802 . 0 0 "[ . 1 . 2]" 1
1654 1 76 ILE HB 1 76 ILE MD . . 3.300 2.337 2.296 2.406 . 0 0 "[ . 1 . 2]" 1
1655 1 76 ILE MD 1 97 LEU HG . . 3.670 2.520 2.386 2.691 . 0 0 "[ . 1 . 2]" 1
1656 1 76 ILE MD 1 97 LEU MD2 . . 3.070 2.977 2.389 3.071 0.001 7 0 "[ . 1 . 2]" 1
1657 1 29 VAL MG1 1 74 MET ME . . 2.940 1.973 1.868 2.092 . 0 0 "[ . 1 . 2]" 1
1658 1 74 MET ME 1 74 MET HG3 . . 3.540 2.334 2.169 2.398 . 0 0 "[ . 1 . 2]" 1
1659 1 74 MET ME 1 74 MET HG2 . . 3.540 3.354 3.326 3.371 . 0 0 "[ . 1 . 2]" 1
1660 1 30 LYS H 1 74 MET ME . . 3.920 2.784 2.643 2.898 . 0 0 "[ . 1 . 2]" 1
1661 1 99 THR HA 1 103 GLU H . . 5.060 4.984 4.888 5.054 . 0 0 "[ . 1 . 2]" 1
1662 1 11 TYR QD 1 80 HIS HA . . 4.670 4.466 4.447 4.486 . 0 0 "[ . 1 . 2]" 1
1663 1 12 VAL HA 1 12 VAL MG1 . . 2.890 2.115 2.113 2.121 . 0 0 "[ . 1 . 2]" 1
1664 1 12 VAL MG1 1 13 GLN H . . 3.940 3.713 3.702 3.730 . 0 0 "[ . 1 . 2]" 1
1665 1 11 TYR HA 1 12 VAL MG2 . . 4.040 3.401 3.392 3.473 . 0 0 "[ . 1 . 2]" 1
1666 1 12 VAL HA 1 12 VAL MG2 . . 3.590 3.190 3.189 3.191 . 0 0 "[ . 1 . 2]" 1
1667 1 15 LYS HA 1 77 TYR HA . . 3.730 2.895 2.805 2.939 . 0 0 "[ . 1 . 2]" 1
1668 1 15 LYS HD2 1 17 PHE HZ . . 4.650 3.122 2.737 3.689 . 0 0 "[ . 1 . 2]" 1
1669 1 18 VAL HA 1 97 LEU MD2 . . 3.190 2.173 2.011 2.856 . 0 0 "[ . 1 . 2]" 1
1670 1 24 VAL MG2 1 25 PRO HD2 . . 4.050 3.638 3.631 3.648 . 0 0 "[ . 1 . 2]" 1
1671 1 25 PRO HB3 1 26 THR MG . . 5.070 5.031 4.929 5.070 . 2 0 "[ . 1 . 2]" 1
1672 1 24 VAL MG1 1 25 PRO HD3 . . 3.870 3.611 3.542 3.683 . 0 0 "[ . 1 . 2]" 1
1673 1 28 ASN HA 1 29 VAL HB . . 5.310 5.083 5.035 5.137 . 0 0 "[ . 1 . 2]" 1
1674 1 23 ALA H 1 29 VAL MG1 . . 4.750 4.737 4.716 4.750 . 0 0 "[ . 1 . 2]" 1
1675 1 29 VAL MG2 1 74 MET ME . . 3.530 3.531 3.523 3.537 0.007 7 0 "[ . 1 . 2]" 1
1676 1 34 GLU HB2 1 35 GLY H . . 4.530 4.265 4.261 4.272 . 0 0 "[ . 1 . 2]" 1
1677 1 34 GLU H 1 34 GLU HB2 . . 4.120 3.656 3.654 3.660 . 0 0 "[ . 1 . 2]" 1
1678 1 38 CYS HB3 1 42 GLN HB2 . . 4.790 4.690 4.683 4.709 . 0 0 "[ . 1 . 2]" 1
1679 1 42 GLN HA 1 45 GLN HB3 . . 3.960 3.605 3.589 3.641 . 0 0 "[ . 1 . 2]" 1
1680 1 42 GLN HA 1 42 GLN HG3 . . 3.750 3.555 3.453 3.622 . 0 0 "[ . 1 . 2]" 1
1681 1 43 HIS HD2 1 44 ILE MD . . 4.690 4.071 3.877 4.441 . 0 0 "[ . 1 . 2]" 1
1682 1 45 GLN HA 1 45 GLN HG2 . . 3.570 2.375 2.354 2.419 . 0 0 "[ . 1 . 2]" 1
1683 1 45 GLN HB2 1 45 GLN HE21 . . 4.470 2.771 2.478 3.068 . 0 0 "[ . 1 . 2]" 1
1684 1 46 ILE HA 1 46 ILE MD . . 3.870 3.847 3.845 3.851 . 0 0 "[ . 1 . 2]" 1
1685 1 50 ALA MB 1 78 ILE MG . . 2.900 1.944 1.874 2.000 . 0 0 "[ . 1 . 2]" 1
1686 1 45 GLN HG3 1 52 VAL HB . . 3.960 2.110 2.055 2.142 . 0 0 "[ . 1 . 2]" 1
1687 1 54 LEU MD1 1 74 MET HG3 . . 4.020 2.917 2.830 3.147 . 0 0 "[ . 1 . 2]" 1
1688 1 54 LEU HA 1 54 LEU MD1 . . 3.120 2.349 2.188 2.600 . 0 0 "[ . 1 . 2]" 1
1689 1 41 LEU MD2 1 54 LEU HA . . 4.460 4.016 3.971 4.043 . 0 0 "[ . 1 . 2]" 1
1690 1 54 LEU HA 1 54 LEU MD2 . . 4.780 3.882 3.869 3.904 . 0 0 "[ . 1 . 2]" 1
1691 1 57 LYS H 1 57 LYS HG3 . . 4.740 4.407 4.275 4.579 . 0 0 "[ . 1 . 2]" 1
1692 1 70 ALA MB 1 72 GLU HB2 . . 4.250 3.513 3.325 3.689 . 0 0 "[ . 1 . 2]" 1
1693 1 57 LYS HB3 1 73 PRO HA . . 3.810 2.181 2.021 2.299 . 0 0 "[ . 1 . 2]" 1
1694 1 72 GLU HG2 1 73 PRO HD3 . . 4.690 3.781 3.195 4.616 . 0 0 "[ . 1 . 2]" 1
1695 1 72 GLU HG3 1 73 PRO HD3 . . 4.690 4.223 3.624 4.702 0.012 16 0 "[ . 1 . 2]" 1
1696 1 72 GLU HB3 1 73 PRO HD3 . . 4.000 3.433 3.404 3.477 . 0 0 "[ . 1 . 2]" 1
1697 1 30 LYS HB2 1 74 MET ME . . 3.110 2.045 1.974 2.159 . 0 0 "[ . 1 . 2]" 1
1698 1 77 TYR HA 1 78 ILE H . . 3.050 2.139 2.138 2.142 . 0 0 "[ . 1 . 2]" 1
1699 1 52 VAL MG1 1 78 ILE HG12 . . 3.970 2.861 2.662 2.932 . 0 0 "[ . 1 . 2]" 1
1700 1 14 ASP HB2 1 78 ILE MD . . 4.280 3.248 3.000 3.352 . 0 0 "[ . 1 . 2]" 1
1701 1 13 GLN HG3 1 14 ASP H . . 4.660 3.971 3.622 4.661 0.001 13 0 "[ . 1 . 2]" 1
1702 1 16 LEU H 1 16 LEU MD1 . . 4.100 2.243 2.116 2.347 . 0 0 "[ . 1 . 2]" 1
1703 1 30 LYS HB2 1 54 LEU MD1 . . 4.610 4.608 4.583 4.614 0.004 13 0 "[ . 1 . 2]" 1
1704 1 24 VAL MG1 1 111 ILE MD . . 3.220 2.374 2.061 2.823 . 0 0 "[ . 1 . 2]" 1
1705 1 23 ALA MB 1 24 VAL MG1 . . 4.640 4.549 4.515 4.595 . 0 0 "[ . 1 . 2]" 1
1706 1 48 THR MG 1 92 LEU MD1 . . 2.740 1.833 1.769 1.879 . 0 0 "[ . 1 . 2]" 1
1707 1 44 ILE MG 1 48 THR MG . . 3.090 2.134 1.961 2.392 . 0 0 "[ . 1 . 2]" 1
1708 1 86 LEU HA 1 86 LEU MD1 . . 3.940 2.840 2.827 2.876 . 0 0 "[ . 1 . 2]" 1
1709 1 12 VAL MG2 1 86 LEU HA . . 4.340 3.897 3.882 3.945 . 0 0 "[ . 1 . 2]" 1
1710 1 50 ALA MB 1 86 LEU HA . . 4.290 3.598 3.555 3.637 . 0 0 "[ . 1 . 2]" 1
1711 1 80 HIS HB2 1 86 LEU MD2 . . 3.830 2.310 2.239 2.359 . 0 0 "[ . 1 . 2]" 1
1712 1 87 ALA HA 1 90 LYS HD2 . . 4.970 4.208 4.012 4.365 . 0 0 "[ . 1 . 2]" 1
1713 1 87 ALA HA 1 90 LYS HD3 . . 5.340 4.206 4.078 4.920 . 0 0 "[ . 1 . 2]" 1
1714 1 86 LEU HB3 1 87 ALA MB . . 4.240 3.760 3.718 3.814 . 0 0 "[ . 1 . 2]" 1
1715 1 89 ALA HA 1 92 LEU HG . . 4.360 3.692 3.511 3.823 . 0 0 "[ . 1 . 2]" 1
1716 1 89 ALA HA 1 92 LEU HB2 . . 4.060 2.835 2.781 2.923 . 0 0 "[ . 1 . 2]" 1
1717 1 92 LEU MD2 1 95 ASN HB3 . . 4.800 3.882 3.378 4.774 . 0 0 "[ . 1 . 2]" 1
1718 1 54 LEU HA 1 76 ILE HA . . 3.790 2.783 2.599 2.883 . 0 0 "[ . 1 . 2]" 1
1719 1 50 ALA HA 1 80 HIS HA . . 3.950 3.617 3.608 3.633 . 0 0 "[ . 1 . 2]" 1
1720 1 52 VAL HA 1 79 SER H . . 3.980 3.809 3.778 3.827 . 0 0 "[ . 1 . 2]" 1
1721 1 54 LEU HA 1 77 TYR H . . 4.110 3.342 3.209 3.428 . 0 0 "[ . 1 . 2]" 1
1722 1 44 ILE MG 1 50 ALA MB . . 4.490 4.262 4.212 4.307 . 0 0 "[ . 1 . 2]" 1
1723 1 44 ILE HG12 1 44 ILE MG . . 3.210 2.340 2.298 2.399 . 0 0 "[ . 1 . 2]" 1
1724 1 44 ILE MG 1 52 VAL MG2 . . 2.950 2.497 2.358 2.740 . 0 0 "[ . 1 . 2]" 1
1725 1 18 VAL MG1 1 76 ILE HG13 . . 3.630 2.690 2.523 2.852 . 0 0 "[ . 1 . 2]" 1
1726 1 33 VAL MG2 1 76 ILE HG13 . . 3.980 3.137 3.030 3.228 . 0 0 "[ . 1 . 2]" 1
1727 1 13 GLN HA 1 80 HIS H . . 3.990 3.294 3.249 3.326 . 0 0 "[ . 1 . 2]" 1
1728 1 16 LEU HG 1 78 ILE MD . . 4.380 4.194 4.132 4.324 . 0 0 "[ . 1 . 2]" 1
1729 1 16 LEU HB3 1 16 LEU MD1 . . 3.500 3.098 3.085 3.118 . 0 0 "[ . 1 . 2]" 1
1730 1 16 LEU HA 1 16 LEU MD1 . . 4.000 3.550 3.451 3.584 . 0 0 "[ . 1 . 2]" 1
1731 1 16 LEU MD1 1 77 TYR HA . . 4.450 3.921 3.783 4.000 . 0 0 "[ . 1 . 2]" 1
1732 1 16 LEU HA 1 16 LEU MD2 . . 3.870 3.502 3.474 3.564 . 0 0 "[ . 1 . 2]" 1
1733 1 16 LEU MD2 1 90 LYS HE3 . . 4.180 3.896 3.479 4.179 . 0 0 "[ . 1 . 2]" 1
1734 1 20 LEU HB2 1 23 ALA MB . . 4.230 4.143 4.040 4.230 . 0 0 "[ . 1 . 2]" 1
1735 1 80 HIS HE1 1 81 PRO HG3 . . 5.500 5.508 5.505 5.512 0.012 20 0 "[ . 1 . 2]" 1
1736 1 80 HIS HA 1 81 PRO HD3 . . 3.200 2.253 2.252 2.253 . 0 0 "[ . 1 . 2]" 1
1737 1 11 TYR HA 1 81 PRO HA . . 3.070 2.374 2.340 2.407 . 0 0 "[ . 1 . 2]" 1
1738 1 27 PHE HZ 1 32 LYS HE3 . . 5.190 3.786 3.230 4.116 . 0 0 "[ . 1 . 2]" 1
1739 1 93 CYS HA 1 93 CYS HG . . 3.890 3.100 2.811 3.411 . 0 0 "[ . 1 . 2]" 1
1740 1 94 GLU HG3 1 95 ASN H . . 4.890 4.749 4.428 4.889 . 0 0 "[ . 1 . 2]" 1
1741 1 75 TYR QE 1 77 TYR HA . . 4.800 4.711 4.551 4.796 . 0 0 "[ . 1 . 2]" 1
1742 1 15 LYS HG2 1 75 TYR QE . . 4.220 3.288 2.863 3.600 . 0 0 "[ . 1 . 2]" 1
1743 1 96 LEU MD2 1 97 LEU HA . . 3.460 2.748 2.617 2.885 . 0 0 "[ . 1 . 2]" 1
1744 1 51 LYS HB3 1 79 SER H . . 4.430 3.686 3.534 3.891 . 0 0 "[ . 1 . 2]" 1
1745 1 10 HIS HA 1 11 TYR QD . . 4.510 3.149 2.924 3.712 . 0 0 "[ . 1 . 2]" 1
1746 1 11 TYR HA 1 81 PRO HB3 . . 4.670 4.475 4.446 4.505 . 0 0 "[ . 1 . 2]" 1
1747 1 61 CYS HA 1 62 ILE HB . . 4.670 4.615 4.606 4.628 . 0 0 "[ . 1 . 2]" 1
1748 1 63 GLU HG3 1 70 ALA H . . 4.700 2.914 2.633 3.060 . 0 0 "[ . 1 . 2]" 1
1749 1 63 GLU HG2 1 70 ALA H . . 4.740 3.856 3.564 3.992 . 0 0 "[ . 1 . 2]" 1
1750 1 65 ALA MB 1 66 SER HB3 . . 4.550 4.357 3.802 4.531 . 0 0 "[ . 1 . 2]" 1
1751 1 65 ALA MB 1 66 SER HB2 . . 4.550 3.978 3.200 4.534 . 0 0 "[ . 1 . 2]" 1
1752 1 66 SER HA 1 68 ARG H . . 4.950 4.623 4.620 4.624 . 0 0 "[ . 1 . 2]" 1
1753 1 57 LYS HB2 1 70 ALA MB . . 4.780 3.532 3.314 3.775 . 0 0 "[ . 1 . 2]" 1
1754 1 70 ALA MB 1 75 TYR QE . . 4.090 3.822 3.591 3.974 . 0 0 "[ . 1 . 2]" 1
1755 1 51 LYS HB2 1 51 LYS HE2 . . 5.500 4.142 2.526 4.858 . 0 0 "[ . 1 . 2]" 1
1756 1 51 LYS HB2 1 51 LYS HE3 . . 5.500 4.108 2.793 4.762 . 0 0 "[ . 1 . 2]" 1
1757 1 51 LYS HB3 1 51 LYS HE2 . . 5.340 4.321 3.093 4.781 . 0 0 "[ . 1 . 2]" 1
1758 1 51 LYS HB3 1 51 LYS HE3 . . 5.340 4.409 3.573 4.785 . 0 0 "[ . 1 . 2]" 1
1759 1 17 PHE H 1 17 PHE QE . . 4.640 4.236 4.151 4.404 . 0 0 "[ . 1 . 2]" 1
1760 1 47 GLU HB2 1 92 LEU MD1 . . 3.720 2.457 2.302 2.590 . 0 0 "[ . 1 . 2]" 1
1761 1 22 HIS HD2 1 104 TYR QE . . 4.330 2.650 2.333 2.898 . 0 0 "[ . 1 . 2]" 1
1762 1 48 THR H 1 49 GLY HA3 . . 4.690 4.610 4.603 4.617 . 0 0 "[ . 1 . 2]" 1
1763 1 32 LYS HA 1 35 GLY H . . 4.780 3.249 3.234 3.266 . 0 0 "[ . 1 . 2]" 1
1764 1 97 LEU H 1 97 LEU MD1 . . 4.160 3.795 3.746 3.828 . 0 0 "[ . 1 . 2]" 1
1765 1 20 LEU MD2 1 104 TYR QD . . 4.770 3.608 3.390 3.870 . 0 0 "[ . 1 . 2]" 1
1766 1 55 ARG HD3 1 75 TYR QE . . 4.470 3.781 3.152 4.439 . 0 0 "[ . 1 . 2]" 1
1767 1 55 ARG HD2 1 75 TYR QE . . 4.470 3.636 3.068 4.294 . 0 0 "[ . 1 . 2]" 1
1768 1 53 PHE QE 1 55 ARG HD2 . . 4.530 2.631 2.103 3.326 . 0 0 "[ . 1 . 2]" 1
1769 1 53 PHE QE 1 55 ARG HD3 . . 4.530 4.117 3.795 4.492 . 0 0 "[ . 1 . 2]" 1
1770 1 17 PHE QD 1 75 TYR HB2 . . 4.630 3.867 3.700 3.983 . 0 0 "[ . 1 . 2]" 1
1771 1 17 PHE QD 1 75 TYR HB3 . . 4.630 3.025 2.805 3.359 . 0 0 "[ . 1 . 2]" 1
1772 1 74 MET HA 1 74 MET HG3 . . 4.130 4.103 4.084 4.123 . 0 0 "[ . 1 . 2]" 1
1773 1 29 VAL HA 1 74 MET ME . . 5.500 5.139 4.978 5.242 . 0 0 "[ . 1 . 2]" 1
1774 1 17 PHE QD 1 73 PRO HG2 . . 4.440 2.228 2.079 2.350 . 0 0 "[ . 1 . 2]" 1
1775 1 72 GLU HA 1 73 PRO HG2 . . 5.140 4.621 4.619 4.625 . 0 0 "[ . 1 . 2]" 1
1776 1 72 GLU HA 1 73 PRO HG3 . . 5.490 4.556 4.554 4.559 . 0 0 "[ . 1 . 2]" 1
1777 1 72 GLU HB3 1 73 PRO HG2 . . 3.680 3.649 3.632 3.679 . 0 0 "[ . 1 . 2]" 1
1778 1 72 GLU HB2 1 75 TYR QE . . 4.080 2.873 2.771 2.994 . 0 0 "[ . 1 . 2]" 1
1779 1 16 LEU H 1 77 TYR HA . . 4.580 3.913 3.848 3.954 . 0 0 "[ . 1 . 2]" 1
1780 1 53 PHE H 1 78 ILE HA . . 4.300 3.817 3.803 3.828 . 0 0 "[ . 1 . 2]" 1
1781 1 57 LYS H 1 74 MET HA . . 4.280 3.943 3.797 4.046 . 0 0 "[ . 1 . 2]" 1
1782 1 35 GLY H 1 36 PRO HD2 . . 4.910 4.770 4.769 4.771 . 0 0 "[ . 1 . 2]" 1
1783 1 38 CYS HB3 1 39 SER H . . 4.530 4.506 4.505 4.508 . 0 0 "[ . 1 . 2]" 1
1784 1 48 THR MG 1 88 ALA HA . . 4.600 4.135 4.031 4.196 . 0 0 "[ . 1 . 2]" 1
1785 1 88 ALA HA 1 91 LYS HD2 . . 5.500 3.949 2.244 5.303 . 0 0 "[ . 1 . 2]" 1
1786 1 88 ALA HA 1 91 LYS HD3 . . 5.500 4.507 2.241 5.491 . 0 0 "[ . 1 . 2]" 1
1787 1 52 VAL MG2 1 89 ALA HA . . 4.990 4.531 4.511 4.569 . 0 0 "[ . 1 . 2]" 1
1788 1 78 ILE MG 1 89 ALA HA . . 5.330 4.387 4.364 4.430 . 0 0 "[ . 1 . 2]" 1
1789 1 99 THR MG 1 100 VAL HA . . 4.360 3.443 3.227 3.718 . 0 0 "[ . 1 . 2]" 1
1790 1 100 VAL HA 1 101 HIS HA . . 5.050 4.801 4.784 4.818 . 0 0 "[ . 1 . 2]" 1
1791 1 103 GLU HA 1 106 ARG H . . 4.720 3.545 3.473 3.657 . 0 0 "[ . 1 . 2]" 1
1792 1 109 ASN H 1 110 GLN HA . . 5.500 5.288 5.137 5.389 . 0 0 "[ . 1 . 2]" 1
1793 1 34 GLU HA 1 38 CYS HA . . 4.270 4.030 4.015 4.110 . 0 0 "[ . 1 . 2]" 1
1794 1 38 CYS HB3 1 41 LEU MD2 . . 4.400 3.908 3.886 3.988 . 0 0 "[ . 1 . 2]" 1
1795 1 41 LEU MD2 1 42 GLN H . . 4.730 4.725 4.690 4.732 0.002 5 0 "[ . 1 . 2]" 1
1796 1 38 CYS HB3 1 42 GLN HG2 . . 4.450 3.426 3.158 3.700 . 0 0 "[ . 1 . 2]" 1
1797 1 42 GLN HA 1 45 GLN HG2 . . 4.790 4.707 4.685 4.725 . 0 0 "[ . 1 . 2]" 1
1798 1 46 ILE MD 1 47 GLU H . . 4.510 4.351 4.328 4.373 . 0 0 "[ . 1 . 2]" 1
1799 1 43 HIS H 1 46 ILE MD . . 4.930 3.715 3.650 3.746 . 0 0 "[ . 1 . 2]" 1
1800 1 44 ILE H 1 47 GLU HG3 . . 5.450 5.214 4.552 5.447 . 0 0 "[ . 1 . 2]" 1
1801 1 48 THR HB 1 49 GLY H . . 4.640 4.058 4.042 4.066 . 0 0 "[ . 1 . 2]" 1
1802 1 50 ALA HA 1 89 ALA MB . . 4.870 4.848 4.837 4.869 . 0 0 "[ . 1 . 2]" 1
1803 1 50 ALA MB 1 51 LYS HB2 . . 4.610 4.346 4.323 4.369 . 0 0 "[ . 1 . 2]" 1
1804 1 69 GLU HA 1 70 ALA MB . . 4.270 4.140 4.076 4.201 . 0 0 "[ . 1 . 2]" 1
1805 1 22 HIS HE1 1 23 ALA H . . 5.500 4.923 4.767 5.113 . 0 0 "[ . 1 . 2]" 1
1806 1 80 HIS HE1 1 82 LYS HG3 . . 4.260 3.475 3.229 3.825 . 0 0 "[ . 1 . 2]" 1
1807 1 80 HIS HE1 1 82 LYS HB2 . . 3.930 2.571 2.529 2.603 . 0 0 "[ . 1 . 2]" 1
1808 1 80 HIS HE1 1 81 PRO HG2 . . 4.530 4.058 4.057 4.060 . 0 0 "[ . 1 . 2]" 1
1809 1 80 HIS HE1 1 82 LYS HB3 . . 4.700 4.231 4.139 4.302 . 0 0 "[ . 1 . 2]" 1
1810 1 80 HIS HE1 1 81 PRO HD2 . . 4.480 3.927 3.923 3.930 . 0 0 "[ . 1 . 2]" 1
1811 1 80 HIS HD2 1 89 ALA MB . . 4.770 4.770 4.753 4.773 0.003 12 0 "[ . 1 . 2]" 1
1812 1 48 THR HB 1 80 HIS HD2 . . 5.190 4.955 4.901 4.987 . 0 0 "[ . 1 . 2]" 1
1813 1 49 GLY HA3 1 80 HIS HD2 . . 4.930 4.583 4.559 4.619 . 0 0 "[ . 1 . 2]" 1
1814 1 53 PHE QE 1 77 TYR QD . . 4.370 2.894 2.673 3.042 . 0 0 "[ . 1 . 2]" 1
1815 1 27 PHE QD 1 104 TYR QD . . 4.520 3.484 3.296 3.695 . 0 0 "[ . 1 . 2]" 1
1816 1 17 PHE H 1 75 TYR HA . . 5.500 5.200 5.122 5.341 . 0 0 "[ . 1 . 2]" 1
1817 1 56 GLY HA3 1 74 MET H . . 4.790 4.498 4.356 4.587 . 0 0 "[ . 1 . 2]" 1
1818 1 96 LEU HA 1 100 VAL MG1 . . 5.150 4.932 4.887 5.006 . 0 0 "[ . 1 . 2]" 1
1819 1 100 VAL HB 1 101 HIS HD2 . . 5.030 4.982 4.922 5.024 . 0 0 "[ . 1 . 2]" 1
1820 1 33 VAL HA 1 100 VAL MG2 . . 4.360 3.991 3.913 4.132 . 0 0 "[ . 1 . 2]" 1
1821 1 20 LEU MD1 1 100 VAL MG2 . . 4.670 4.605 4.352 4.677 0.007 5 0 "[ . 1 . 2]" 1
1822 1 24 VAL MG1 1 27 PHE H . . 4.690 4.634 4.562 4.690 . 0 0 "[ . 1 . 2]" 1
1823 1 28 ASN HA 1 74 MET ME . . 5.070 4.864 4.554 5.029 . 0 0 "[ . 1 . 2]" 1
1824 1 42 GLN HB2 1 43 HIS H . . 4.130 2.784 2.768 2.793 . 0 0 "[ . 1 . 2]" 1
1825 1 78 ILE HA 1 78 ILE MD . . 4.410 3.883 3.882 3.885 . 0 0 "[ . 1 . 2]" 1
1826 1 14 ASP HA 1 78 ILE MD . . 5.500 5.191 5.032 5.270 . 0 0 "[ . 1 . 2]" 1
1827 1 77 TYR HA 1 78 ILE MD . . 5.500 4.864 4.787 4.901 . 0 0 "[ . 1 . 2]" 1
1828 1 24 VAL MG2 1 108 VAL HA . . 5.500 3.961 3.605 4.279 . 0 0 "[ . 1 . 2]" 1
1829 1 24 VAL MG1 1 108 VAL HA . . 5.500 4.231 3.840 4.638 . 0 0 "[ . 1 . 2]" 1
1830 1 107 PHE HB3 1 108 VAL MG1 . . 4.430 4.036 3.954 4.134 . 0 0 "[ . 1 . 2]" 1
1831 1 104 TYR QE 1 107 PHE QD . . 4.530 4.236 3.956 4.427 . 0 0 "[ . 1 . 2]" 1
1832 1 105 SER H 1 105 SER HB3 . . 3.460 2.721 2.190 3.430 . 0 0 "[ . 1 . 2]" 1
1833 1 99 THR MG 1 103 GLU HG3 . . 4.320 4.008 3.808 4.248 . 0 0 "[ . 1 . 2]" 1
1834 1 100 VAL MG2 1 101 HIS HD2 . . 3.930 3.851 3.788 3.897 . 0 0 "[ . 1 . 2]" 1
1835 1 50 ALA H 1 89 ALA MB . . 3.890 3.755 3.736 3.788 . 0 0 "[ . 1 . 2]" 1
1836 1 89 ALA MB 1 90 LYS HA . . 4.290 3.822 3.790 3.835 . 0 0 "[ . 1 . 2]" 1
1837 1 48 THR MG 1 89 ALA MB . . 3.180 2.537 2.510 2.562 . 0 0 "[ . 1 . 2]" 1
1838 1 87 ALA HA 1 88 ALA HA . . 5.090 4.712 4.708 4.717 . 0 0 "[ . 1 . 2]" 1
1839 1 88 ALA HA 1 89 ALA HA . . 5.500 4.838 4.835 4.843 . 0 0 "[ . 1 . 2]" 1
1840 1 86 LEU H 1 88 ALA MB . . 4.840 4.691 4.629 4.760 . 0 0 "[ . 1 . 2]" 1
1841 1 86 LEU HB3 1 87 ALA HA . . 4.580 4.059 4.054 4.078 . 0 0 "[ . 1 . 2]" 1
1842 1 82 LYS HG2 1 83 PRO HD2 . . 4.790 4.128 4.105 4.177 . 0 0 "[ . 1 . 2]" 1
1843 1 82 LYS HG2 1 83 PRO HD3 . . 5.420 4.724 4.696 4.788 . 0 0 "[ . 1 . 2]" 1
1844 1 82 LYS HA 1 83 PRO HG3 . . 4.480 4.470 4.468 4.472 . 0 0 "[ . 1 . 2]" 1
1845 1 81 PRO HB2 1 82 LYS HG3 . . 4.280 3.862 3.647 4.181 . 0 0 "[ . 1 . 2]" 1
1846 1 27 PHE HB2 1 104 TYR QE . . 4.320 4.103 3.867 4.292 . 0 0 "[ . 1 . 2]" 1
1847 1 29 VAL HA 1 32 LYS HG3 . . 4.820 2.723 2.610 2.813 . 0 0 "[ . 1 . 2]" 1
1848 1 28 ASN HB3 1 29 VAL MG1 . . 5.500 5.199 5.065 5.294 . 0 0 "[ . 1 . 2]" 1
1849 1 30 LYS HA 1 33 VAL MG2 . . 4.850 4.523 4.487 4.553 . 0 0 "[ . 1 . 2]" 1
1850 1 47 GLU HA 1 48 THR MG . . 4.620 4.373 4.361 4.399 . 0 0 "[ . 1 . 2]" 1
1851 1 31 GLU HA 1 34 GLU HG2 . . 3.910 2.215 2.184 2.233 . 0 0 "[ . 1 . 2]" 1
1852 1 33 VAL HA 1 40 TYR QD . . 4.560 3.380 3.341 3.524 . 0 0 "[ . 1 . 2]" 1
1853 1 32 LYS HB3 1 33 VAL HA . . 4.790 4.357 4.320 4.419 . 0 0 "[ . 1 . 2]" 1
1854 1 38 CYS HA 1 40 TYR H . . 4.660 4.071 4.063 4.074 . 0 0 "[ . 1 . 2]" 1
1855 1 38 CYS HB3 1 41 LEU H . . 4.720 4.605 4.584 4.658 . 0 0 "[ . 1 . 2]" 1
1856 1 39 SER HA 1 42 GLN HB2 . . 3.600 2.310 2.291 2.328 . 0 0 "[ . 1 . 2]" 1
1857 1 43 HIS HA 1 46 ILE HG12 . . 5.500 5.259 5.251 5.276 . 0 0 "[ . 1 . 2]" 1
1858 1 44 ILE MD 1 92 LEU HA . . 4.430 4.427 4.406 4.437 0.007 15 0 "[ . 1 . 2]" 1
1859 1 43 HIS HA 1 46 ILE HG13 . . 4.510 4.511 4.510 4.511 0.001 18 0 "[ . 1 . 2]" 1
1860 1 46 ILE H 1 46 ILE MD . . 3.720 3.101 3.025 3.144 . 0 0 "[ . 1 . 2]" 1
1861 1 42 GLN HA 1 46 ILE MD . . 4.750 3.277 3.183 3.399 . 0 0 "[ . 1 . 2]" 1
1862 1 47 GLU HB2 1 92 LEU HB3 . . 5.370 5.078 4.929 5.197 . 0 0 "[ . 1 . 2]" 1
1863 1 43 HIS HE1 1 47 GLU HG2 . . 4.400 3.282 2.929 3.675 . 0 0 "[ . 1 . 2]" 1
1864 1 43 HIS HE1 1 47 GLU HG3 . . 4.570 2.782 2.606 3.064 . 0 0 "[ . 1 . 2]" 1
1865 1 12 VAL MG1 1 82 LYS HA . . 4.470 3.990 3.938 4.016 . 0 0 "[ . 1 . 2]" 1
1866 1 11 TYR HA 1 12 VAL MG1 . . 4.330 3.877 3.871 3.887 . 0 0 "[ . 1 . 2]" 1
1867 1 12 VAL MG2 1 80 HIS HB2 . . 4.420 3.688 3.669 3.708 . 0 0 "[ . 1 . 2]" 1
1868 1 12 VAL MG2 1 87 ALA H . . 4.700 4.541 4.448 4.589 . 0 0 "[ . 1 . 2]" 1
1869 1 15 LYS HG2 1 77 TYR QD . . 4.560 2.944 2.622 3.215 . 0 0 "[ . 1 . 2]" 1
1870 1 15 LYS HD2 1 75 TYR QE . . 4.780 3.866 3.211 4.450 . 0 0 "[ . 1 . 2]" 1
1871 1 15 LYS HD2 1 17 PHE QE . . 4.770 3.005 2.448 3.340 . 0 0 "[ . 1 . 2]" 1
1872 1 15 LYS HG2 1 17 PHE QE . . 5.500 4.795 4.471 5.104 . 0 0 "[ . 1 . 2]" 1
1873 1 15 LYS HG2 1 78 ILE H . . 5.500 4.936 4.603 5.239 . 0 0 "[ . 1 . 2]" 1
1874 1 15 LYS HD3 1 17 PHE QE . . 4.770 4.149 3.259 4.709 . 0 0 "[ . 1 . 2]" 1
1875 1 16 LEU HB2 1 78 ILE MD . . 4.910 4.769 4.699 4.871 . 0 0 "[ . 1 . 2]" 1
1876 1 18 VAL MG2 1 20 LEU HB2 . . 3.700 2.252 2.176 2.342 . 0 0 "[ . 1 . 2]" 1
1877 1 20 LEU MD2 1 29 VAL H . . 5.250 4.461 4.239 4.536 . 0 0 "[ . 1 . 2]" 1
1878 1 23 ALA MB 1 27 PHE QD . . 3.640 2.817 2.584 3.088 . 0 0 "[ . 1 . 2]" 1
1879 1 23 ALA MB 1 27 PHE QE . . 4.230 3.968 3.759 4.175 . 0 0 "[ . 1 . 2]" 1
1880 1 24 VAL MG2 1 27 PHE QD . . 4.230 3.969 3.796 4.114 . 0 0 "[ . 1 . 2]" 1
1881 1 16 LEU MD2 1 94 GLU HB3 . . 4.480 4.374 4.255 4.452 . 0 0 "[ . 1 . 2]" 1
1882 1 16 LEU MD2 1 76 ILE HB . . 4.480 3.911 3.692 3.972 . 0 0 "[ . 1 . 2]" 1
1883 1 16 LEU MD2 1 90 LYS HG3 . . 4.190 2.677 2.560 3.021 . 0 0 "[ . 1 . 2]" 1
1884 1 16 LEU MD2 1 93 CYS HA . . 4.550 4.266 4.133 4.428 . 0 0 "[ . 1 . 2]" 1
1885 1 74 MET ME 1 75 TYR H . . 5.360 5.336 5.208 5.360 . 0 0 "[ . 1 . 2]" 1
1886 1 50 ALA MB 1 89 ALA H . . 4.250 4.101 4.080 4.127 . 0 0 "[ . 1 . 2]" 1
1887 1 50 ALA MB 1 51 LYS HA . . 4.540 4.262 4.239 4.279 . 0 0 "[ . 1 . 2]" 1
1888 1 51 LYS HG3 1 52 VAL H . . 5.120 4.887 4.757 5.093 . 0 0 "[ . 1 . 2]" 1
1889 1 52 VAL MG1 1 78 ILE HG13 . . 4.350 3.133 3.047 3.196 . 0 0 "[ . 1 . 2]" 1
1890 1 52 VAL MG1 1 53 PHE HA . . 4.480 3.476 3.421 3.543 . 0 0 "[ . 1 . 2]" 1
1891 1 41 LEU HA 1 52 VAL MG2 . . 4.720 4.636 4.568 4.682 . 0 0 "[ . 1 . 2]" 1
1892 1 51 LYS HB3 1 53 PHE QE . . 4.360 2.989 2.473 3.478 . 0 0 "[ . 1 . 2]" 1
1893 1 53 PHE QE 1 77 TYR QE . . 4.550 3.667 3.466 3.811 . 0 0 "[ . 1 . 2]" 1
1894 1 20 LEU MD2 1 101 HIS HE1 . . 4.850 4.452 4.174 4.748 . 0 0 "[ . 1 . 2]" 1
1895 1 19 GLY HA3 1 101 HIS HE1 . . 4.400 4.237 4.067 4.399 . 0 0 "[ . 1 . 2]" 1
1896 1 55 ARG H 1 74 MET HA . . 4.760 4.380 4.335 4.440 . 0 0 "[ . 1 . 2]" 1
1897 1 17 PHE QD 1 72 GLU HB3 . . 4.740 4.011 3.818 4.250 . 0 0 "[ . 1 . 2]" 1
1898 1 17 PHE HB2 1 18 VAL H . . 4.800 4.304 4.200 4.488 . 0 0 "[ . 1 . 2]" 1
1899 1 34 GLU HG3 1 38 CYS HA . . 5.010 3.626 3.593 3.640 . 0 0 "[ . 1 . 2]" 1
1900 1 39 SER HB2 1 42 GLN HB2 . . 5.500 4.849 4.647 5.093 . 0 0 "[ . 1 . 2]" 1
1901 1 39 SER HB3 1 42 GLN HB2 . . 5.500 4.867 4.495 5.089 . 0 0 "[ . 1 . 2]" 1
1902 1 13 GLN HB3 1 77 TYR QE . . 4.550 2.848 2.358 3.093 . 0 0 "[ . 1 . 2]" 1
1903 1 13 GLN HB2 1 77 TYR QE . . 4.550 2.776 2.269 3.717 . 0 0 "[ . 1 . 2]" 1
1904 1 77 TYR QE 1 79 SER HB2 . . 4.710 4.695 4.552 4.712 0.002 1 0 "[ . 1 . 2]" 1
1905 1 51 LYS HB3 1 53 PHE QD . . 4.390 2.930 2.819 3.046 . 0 0 "[ . 1 . 2]" 1
1906 1 53 PHE HA 1 53 PHE QD . . 4.300 3.722 3.716 3.729 . 0 0 "[ . 1 . 2]" 1
1907 1 53 PHE QD 1 55 ARG H . . 5.500 4.568 4.482 4.738 . 0 0 "[ . 1 . 2]" 1
1908 1 32 LYS H 1 32 LYS HD2 . . 4.650 4.004 3.724 4.219 . 0 0 "[ . 1 . 2]" 1
1909 1 107 PHE HZ 1 111 ILE MD . . 4.540 4.295 3.939 4.536 . 0 0 "[ . 1 . 2]" 1
1910 1 32 LYS HA 1 32 LYS HE2 . . 4.740 4.648 4.479 4.733 . 0 0 "[ . 1 . 2]" 1
1911 1 32 LYS HA 1 32 LYS HE3 . . 4.740 3.813 3.422 4.196 . 0 0 "[ . 1 . 2]" 1
1912 1 32 LYS HB2 1 32 LYS HE3 . . 5.060 3.867 3.378 4.374 . 0 0 "[ . 1 . 2]" 1
1913 1 32 LYS HB2 1 32 LYS HE2 . . 5.060 4.155 3.753 4.738 . 0 0 "[ . 1 . 2]" 1
1914 1 32 LYS HB3 1 32 LYS HE2 . . 5.100 3.293 2.888 3.685 . 0 0 "[ . 1 . 2]" 1
1915 1 32 LYS HB3 1 32 LYS HE3 . . 5.100 2.420 2.021 2.964 . 0 0 "[ . 1 . 2]" 1
1916 1 27 PHE QE 1 32 LYS HE3 . . 4.610 4.184 3.822 4.598 . 0 0 "[ . 1 . 2]" 1
1917 1 27 PHE QE 1 32 LYS HE2 . . 4.610 2.952 2.485 3.850 . 0 0 "[ . 1 . 2]" 1
1918 1 27 PHE HZ 1 32 LYS HE2 . . 5.190 2.969 2.451 3.997 . 0 0 "[ . 1 . 2]" 1
1919 1 63 GLU HG2 1 70 ALA HA . . 5.390 5.082 4.969 5.138 . 0 0 "[ . 1 . 2]" 1
1920 1 55 ARG HA 1 59 SER HB3 . . 4.650 3.136 2.941 3.353 . 0 0 "[ . 1 . 2]" 1
1921 1 30 LYS HD2 1 59 SER HB3 . . 4.750 4.529 3.813 4.721 . 0 0 "[ . 1 . 2]" 1
1922 1 62 ILE MD 1 68 ARG HA . . 3.930 3.936 3.935 3.938 0.008 2 0 "[ . 1 . 2]" 1
1923 1 62 ILE MD 1 67 GLY HA2 . . 5.500 5.482 5.474 5.500 . 0 0 "[ . 1 . 2]" 1
1924 1 41 LEU MD2 1 76 ILE HA . . 4.710 4.704 4.668 4.715 0.005 15 0 "[ . 1 . 2]" 1
1925 1 36 PRO HD2 1 40 TYR H . . 4.960 3.163 3.077 3.187 . 0 0 "[ . 1 . 2]" 1
1926 1 27 PHE QE 1 32 LYS HG3 . . 4.880 3.051 2.768 3.289 . 0 0 "[ . 1 . 2]" 1
1927 1 55 ARG HB2 1 75 TYR QE . . 5.100 2.864 2.572 3.139 . 0 0 "[ . 1 . 2]" 1
1928 1 55 ARG HB3 1 75 TYR QE . . 5.100 2.321 2.113 2.782 . 0 0 "[ . 1 . 2]" 1
1929 1 28 ASN HB3 1 32 LYS HG2 . . 4.870 4.327 4.021 4.600 . 0 0 "[ . 1 . 2]" 1
1930 1 13 GLN HA 1 79 SER HB3 . . 4.590 4.447 4.421 4.483 . 0 0 "[ . 1 . 2]" 1
1931 1 79 SER HB3 1 86 LEU MD2 . . 5.030 4.860 4.830 4.897 . 0 0 "[ . 1 . 2]" 1
1932 1 13 GLN HB2 1 79 SER HA . . 4.890 4.100 3.645 4.904 0.014 5 0 "[ . 1 . 2]" 1
1933 1 13 GLN HB3 1 79 SER HA . . 4.890 3.719 3.558 3.911 . 0 0 "[ . 1 . 2]" 1
1934 1 79 SER HB2 1 86 LEU MD2 . . 5.250 5.059 5.015 5.108 . 0 0 "[ . 1 . 2]" 1
1935 1 13 GLN HA 1 79 SER HB2 . . 5.500 5.467 5.430 5.498 . 0 0 "[ . 1 . 2]" 1
1936 1 80 HIS HB2 1 86 LEU HB2 . . 4.920 3.230 3.176 3.256 . 0 0 "[ . 1 . 2]" 1
1937 1 27 PHE HZ 1 100 VAL HA . . 4.820 3.551 3.374 3.741 . 0 0 "[ . 1 . 2]" 1
1938 1 100 VAL HA 1 102 ALA H . . 4.730 4.009 3.914 4.107 . 0 0 "[ . 1 . 2]" 1
1939 1 33 VAL HA 1 100 VAL MG1 . . 3.530 3.504 3.473 3.532 0.002 20 0 "[ . 1 . 2]" 1
1940 1 90 LYS H 1 90 LYS HG3 . . 4.940 4.379 4.351 4.394 . 0 0 "[ . 1 . 2]" 1
1941 1 82 LYS HG3 1 83 PRO HD2 . . 4.950 4.630 4.434 4.767 . 0 0 "[ . 1 . 2]" 1
1942 1 15 LYS HA 1 16 LEU HB2 . . 4.770 4.721 4.699 4.730 . 0 0 "[ . 1 . 2]" 1
1943 1 20 LEU MD1 1 21 GLU H . . 4.670 4.539 4.515 4.567 . 0 0 "[ . 1 . 2]" 1
1944 1 54 LEU HB2 1 59 SER HB2 . . 5.500 4.322 4.020 5.502 0.002 14 0 "[ . 1 . 2]" 1
1945 1 80 HIS HB3 1 86 LEU HB3 . . 4.600 3.850 3.796 3.879 . 0 0 "[ . 1 . 2]" 1
1946 1 44 ILE MD 1 92 LEU H . . 5.010 4.896 4.724 5.009 . 0 0 "[ . 1 . 2]" 1
1947 1 53 PHE QD 1 77 TYR QD . . 4.630 4.050 3.948 4.120 . 0 0 "[ . 1 . 2]" 1
1948 1 75 TYR QE 1 77 TYR QD . . 3.680 2.317 2.111 2.556 . 0 0 "[ . 1 . 2]" 1
1949 1 50 ALA HA 1 80 HIS HB2 . . 4.580 3.985 3.972 4.007 . 0 0 "[ . 1 . 2]" 1
1950 1 50 ALA MB 1 78 ILE HA . . 4.520 3.988 3.926 4.020 . 0 0 "[ . 1 . 2]" 1
1951 1 45 GLN HG3 1 51 LYS HA . . 5.110 4.826 4.791 4.869 . 0 0 "[ . 1 . 2]" 1
1952 1 52 VAL HA 1 53 PHE QD . . 4.860 3.860 3.564 4.057 . 0 0 "[ . 1 . 2]" 1
1953 1 41 LEU HB3 1 52 VAL HB . . 4.360 3.583 3.535 3.650 . 0 0 "[ . 1 . 2]" 1
1954 1 62 ILE HB 1 63 GLU H . . 4.780 3.082 3.079 3.086 . 0 0 "[ . 1 . 2]" 1
1955 1 82 LYS HA 1 83 PRO HG2 . . 4.610 4.509 4.506 4.513 . 0 0 "[ . 1 . 2]" 1
1956 1 55 ARG HA 1 61 CYS HB2 . . 4.520 3.473 2.942 3.831 . 0 0 "[ . 1 . 2]" 1
1957 1 55 ARG HA 1 59 SER HB2 . . 4.650 2.843 2.536 3.182 . 0 0 "[ . 1 . 2]" 1
1958 1 55 ARG HA 1 61 CYS HB3 . . 4.520 4.303 4.097 4.512 . 0 0 "[ . 1 . 2]" 1
1959 1 55 ARG H 1 55 ARG HG2 . . 4.800 4.578 4.417 4.751 . 0 0 "[ . 1 . 2]" 1
1960 1 40 TYR HA 1 43 HIS H . . 4.600 3.696 3.663 3.720 . 0 0 "[ . 1 . 2]" 1
1961 1 54 LEU HA 1 76 ILE MG . . 4.690 4.109 3.912 4.210 . 0 0 "[ . 1 . 2]" 1
1962 1 41 LEU MD2 1 76 ILE MG . . 3.980 3.881 3.784 3.927 . 0 0 "[ . 1 . 2]" 1
1963 1 54 LEU MD2 1 74 MET HB2 . . 3.910 2.451 2.363 2.583 . 0 0 "[ . 1 . 2]" 1
1964 1 54 LEU MD2 1 74 MET ME . . 4.330 2.800 2.595 3.047 . 0 0 "[ . 1 . 2]" 1
1965 1 63 GLU HA 1 64 PRO HG3 . . 4.620 4.391 4.390 4.392 . 0 0 "[ . 1 . 2]" 1
1966 1 89 ALA MB 1 92 LEU HB2 . . 4.600 4.192 4.146 4.240 . 0 0 "[ . 1 . 2]" 1
1967 1 49 GLY H 1 89 ALA MB . . 5.330 4.997 4.969 5.033 . 0 0 "[ . 1 . 2]" 1
1968 1 89 ALA MB 1 93 CYS H . . 5.500 4.607 4.492 4.723 . 0 0 "[ . 1 . 2]" 1
1969 1 54 LEU HG 1 55 ARG H . . 3.670 2.610 2.430 2.754 . 0 0 "[ . 1 . 2]" 1
1970 1 17 PHE QE 1 73 PRO HD3 . . 4.850 4.611 4.343 4.837 . 0 0 "[ . 1 . 2]" 1
1971 1 43 HIS HA 1 47 GLU HG2 . . 4.870 3.816 3.645 4.020 . 0 0 "[ . 1 . 2]" 1
1972 1 43 HIS HA 1 47 GLU HG3 . . 5.360 4.752 4.164 4.971 . 0 0 "[ . 1 . 2]" 1
1973 1 17 PHE QE 1 72 GLU HB2 . . 4.150 3.565 3.411 3.824 . 0 0 "[ . 1 . 2]" 1
1974 1 33 VAL HA 1 33 VAL MG2 . . 3.310 2.342 2.309 2.397 . 0 0 "[ . 1 . 2]" 1
1975 1 33 VAL HA 1 96 LEU MD2 . . 3.530 2.298 2.194 2.397 . 0 0 "[ . 1 . 2]" 1
1976 1 32 LYS HA 1 32 LYS HD3 . . 3.790 3.523 3.265 3.659 . 0 0 "[ . 1 . 2]" 1
1977 1 32 LYS H 1 32 LYS HD3 . . 4.650 4.391 4.204 4.530 . 0 0 "[ . 1 . 2]" 1
1978 1 104 TYR HA 1 107 PHE HA . . 5.230 5.045 4.944 5.172 . 0 0 "[ . 1 . 2]" 1
1979 1 27 PHE QE 1 107 PHE HB2 . . 4.620 3.578 3.300 3.832 . 0 0 "[ . 1 . 2]" 1
1980 1 27 PHE HB2 1 107 PHE QE . . 5.090 4.127 3.839 4.350 . 0 0 "[ . 1 . 2]" 1
1981 1 104 TYR QD 1 107 PHE HB3 . . 5.080 3.026 2.783 3.236 . 0 0 "[ . 1 . 2]" 1
1982 1 101 HIS HA 1 104 TYR QD . . 4.840 4.411 4.273 4.492 . 0 0 "[ . 1 . 2]" 1
1983 1 20 LEU HA 1 101 HIS HE1 . . 5.500 5.062 4.707 5.355 . 0 0 "[ . 1 . 2]" 1
1984 1 102 ALA MB 1 103 GLU HA . . 4.640 3.815 3.766 3.866 . 0 0 "[ . 1 . 2]" 1
1985 1 97 LEU HB2 1 101 HIS HD2 . . 4.780 4.646 4.469 4.745 . 0 0 "[ . 1 . 2]" 1
1986 1 18 VAL MG2 1 19 GLY HA2 . . 5.240 3.563 3.508 3.626 . 0 0 "[ . 1 . 2]" 1
1987 1 18 VAL MG2 1 19 GLY HA3 . . 5.500 4.094 4.059 4.137 . 0 0 "[ . 1 . 2]" 1
1988 1 20 LEU H 1 20 LEU HG . . 4.890 4.810 4.773 4.839 . 0 0 "[ . 1 . 2]" 1
1989 1 20 LEU MD1 1 101 HIS H . . 5.500 5.267 4.978 5.397 . 0 0 "[ . 1 . 2]" 1
1990 1 20 LEU MD1 1 104 TYR H . . 5.500 5.370 5.243 5.466 . 0 0 "[ . 1 . 2]" 1
1991 1 20 LEU H 1 21 GLU HG2 . . 5.130 4.394 3.830 5.129 . 0 0 "[ . 1 . 2]" 1
1992 1 20 LEU H 1 21 GLU HG3 . . 5.130 4.435 2.970 5.125 . 0 0 "[ . 1 . 2]" 1
1993 1 22 HIS HE1 1 101 HIS HE1 . . 5.500 5.049 4.537 5.484 . 0 0 "[ . 1 . 2]" 1
1994 1 24 VAL HB 1 111 ILE MD . . 5.010 3.831 3.362 4.382 . 0 0 "[ . 1 . 2]" 1
1995 1 24 VAL HB 1 26 THR H . . 4.740 2.400 2.372 2.491 . 0 0 "[ . 1 . 2]" 1
1996 1 58 GLY H 1 74 MET ME . . 5.370 5.223 5.163 5.300 . 0 0 "[ . 1 . 2]" 1
1997 1 30 LYS HG3 1 54 LEU MD1 . . 4.320 3.877 3.806 4.016 . 0 0 "[ . 1 . 2]" 1
1998 1 33 VAL MG1 1 54 LEU MD1 . . 2.800 2.227 2.067 2.275 . 0 0 "[ . 1 . 2]" 1
1999 1 30 LYS HG3 1 54 LEU MD2 . . 3.740 1.921 1.904 1.958 . 0 0 "[ . 1 . 2]" 1
2000 1 30 LYS HD3 1 59 SER HA . . 4.870 3.018 2.119 3.400 . 0 0 "[ . 1 . 2]" 1
2001 1 35 GLY H 1 36 PRO HD3 . . 4.980 4.768 4.748 4.772 . 0 0 "[ . 1 . 2]" 1
2002 1 36 PRO HD3 1 40 TYR QD . . 4.800 4.019 3.886 4.057 . 0 0 "[ . 1 . 2]" 1
2003 1 18 VAL MG1 1 76 ILE HB . . 5.330 4.603 4.439 4.752 . 0 0 "[ . 1 . 2]" 1
2004 1 33 VAL MG2 1 76 ILE HB . . 5.500 4.826 4.722 4.882 . 0 0 "[ . 1 . 2]" 1
2005 1 38 CYS HB2 1 41 LEU MD2 . . 5.500 5.395 5.376 5.468 . 0 0 "[ . 1 . 2]" 1
2006 1 38 CYS HB3 1 41 LEU HB3 . . 5.050 3.784 3.764 3.867 . 0 0 "[ . 1 . 2]" 1
2007 1 40 TYR HA 1 41 LEU MD1 . . 5.390 4.848 4.837 4.871 . 0 0 "[ . 1 . 2]" 1
2008 1 41 LEU MD1 1 53 PHE HA . . 5.500 4.798 4.689 4.875 . 0 0 "[ . 1 . 2]" 1
2009 1 33 VAL MG1 1 34 GLU HG2 . . 3.950 3.557 3.517 3.582 . 0 0 "[ . 1 . 2]" 1
2010 1 34 GLU HG3 1 41 LEU MD2 . . 4.550 4.557 4.555 4.558 0.008 3 0 "[ . 1 . 2]" 1
2011 1 41 LEU MD1 1 54 LEU H . . 4.700 4.640 4.494 4.704 0.004 13 0 "[ . 1 . 2]" 1
2012 1 17 PHE HA 1 18 VAL HA . . 4.590 4.379 4.360 4.446 . 0 0 "[ . 1 . 2]" 1
2013 1 97 LEU MD1 1 101 HIS HE1 . . 4.940 4.724 4.495 4.934 . 0 0 "[ . 1 . 2]" 1
2014 1 105 SER HA 1 108 VAL MG1 . . 3.270 2.319 2.267 2.407 . 0 0 "[ . 1 . 2]" 1
2015 1 27 PHE QE 1 104 TYR QD . . 4.940 4.236 4.012 4.444 . 0 0 "[ . 1 . 2]" 1
2016 1 51 LYS HD3 1 53 PHE QE . . 5.500 4.229 3.307 4.771 . 0 0 "[ . 1 . 2]" 1
2017 1 52 VAL HA 1 53 PHE HA . . 4.550 4.396 4.396 4.397 . 0 0 "[ . 1 . 2]" 1
2018 1 49 GLY HA3 1 50 ALA MB . . 5.130 4.583 4.577 4.587 . 0 0 "[ . 1 . 2]" 1
2019 1 49 GLY HA2 1 50 ALA MB . . 4.760 4.752 4.743 4.760 . 0 0 "[ . 1 . 2]" 1
2020 1 49 GLY HA2 1 80 HIS HD2 . . 5.500 5.337 5.323 5.370 . 0 0 "[ . 1 . 2]" 1
2021 1 54 LEU HB2 1 59 SER HB3 . . 5.500 5.381 3.801 5.500 0.000 5 0 "[ . 1 . 2]" 1
2022 1 20 LEU MD2 1 27 PHE QD . . 4.730 3.214 3.041 3.343 . 0 0 "[ . 1 . 2]" 1
2023 1 33 VAL MG2 1 76 ILE MD . . 2.890 2.444 2.280 2.562 . 0 0 "[ . 1 . 2]" 1
2024 1 76 ILE MD 1 97 LEU MD1 . . 3.260 2.756 2.432 2.894 . 0 0 "[ . 1 . 2]" 1
2025 1 16 LEU HG 1 76 ILE MD . . 5.020 4.856 4.722 4.996 . 0 0 "[ . 1 . 2]" 1
2026 1 30 LYS HD3 1 74 MET ME . . 3.720 3.003 2.720 3.425 . 0 0 "[ . 1 . 2]" 1
2027 1 108 VAL MG2 1 109 ASN H . . 4.390 3.771 3.700 3.900 . 0 0 "[ . 1 . 2]" 1
2028 1 108 VAL MG1 1 109 ASN H . . 4.550 2.049 1.949 2.110 . 0 0 "[ . 1 . 2]" 1
2029 1 45 GLN H 1 52 VAL MG2 . . 4.120 3.935 3.837 4.012 . 0 0 "[ . 1 . 2]" 1
2030 1 52 VAL MG2 1 79 SER H . . 4.230 3.642 3.604 3.716 . 0 0 "[ . 1 . 2]" 1
2031 1 104 TYR QD 1 108 VAL MG1 . . 4.050 3.395 3.309 3.511 . 0 0 "[ . 1 . 2]" 1
2032 1 51 LYS HA 1 79 SER H . . 4.800 4.416 4.408 4.432 . 0 0 "[ . 1 . 2]" 1
2033 1 51 LYS HA 1 52 VAL HA . . 4.870 4.404 4.404 4.405 . 0 0 "[ . 1 . 2]" 1
2034 1 43 HIS HE1 1 92 LEU MD1 . . 5.290 5.274 5.159 5.302 0.012 6 0 "[ . 1 . 2]" 1
2035 1 41 LEU MD1 1 42 GLN H . . 4.740 4.359 4.355 4.377 . 0 0 "[ . 1 . 2]" 1
2036 1 40 TYR HB3 1 41 LEU MD1 . . 4.610 3.129 3.120 3.156 . 0 0 "[ . 1 . 2]" 1
2037 1 52 VAL HB 1 76 ILE MG . . 4.660 4.371 4.312 4.466 . 0 0 "[ . 1 . 2]" 1
2038 1 41 LEU HB2 1 52 VAL MG1 . . 4.770 4.562 4.518 4.593 . 0 0 "[ . 1 . 2]" 1
2039 1 15 LYS HD3 1 75 TYR QE . . 4.780 2.831 2.578 3.234 . 0 0 "[ . 1 . 2]" 1
2040 1 51 LYS HG2 1 53 PHE QE . . 5.500 5.118 4.577 5.502 0.002 6 0 "[ . 1 . 2]" 1
2041 1 51 LYS HD2 1 53 PHE QE . . 5.500 4.126 2.604 5.485 . 0 0 "[ . 1 . 2]" 1
2042 1 51 LYS HB2 1 53 PHE QE . . 5.080 4.197 3.565 4.774 . 0 0 "[ . 1 . 2]" 1
2043 1 53 PHE QD 1 77 TYR QE . . 5.500 5.432 5.355 5.480 . 0 0 "[ . 1 . 2]" 1
2044 1 70 ALA MB 1 72 GLU HB3 . . 4.940 4.525 4.327 4.681 . 0 0 "[ . 1 . 2]" 1
2045 1 48 THR HG1 1 92 LEU MD1 . . 4.450 3.986 3.908 4.113 . 0 0 "[ . 1 . 2]" 1
2046 1 98 GLN H 1 99 THR HB . . 5.250 5.061 4.983 5.147 . 0 0 "[ . 1 . 2]" 1
2047 1 100 VAL MG2 1 103 GLU HB3 . . 4.750 4.603 4.492 4.694 . 0 0 "[ . 1 . 2]" 1
2048 1 100 VAL MG2 1 103 GLU HB2 . . 4.560 3.325 3.234 3.410 . 0 0 "[ . 1 . 2]" 1
2049 1 102 ALA MB 1 103 GLU HG3 . . 5.110 5.060 5.025 5.099 . 0 0 "[ . 1 . 2]" 1
2050 1 36 PRO HD2 1 39 SER HA . . 5.500 5.502 5.501 5.503 0.003 13 0 "[ . 1 . 2]" 1
2051 1 38 CYS HB3 1 39 SER HA . . 5.500 5.168 5.153 5.172 . 0 0 "[ . 1 . 2]" 1
2052 1 111 ILE HA 1 112 ASN HA . . 4.680 4.517 4.407 4.684 0.004 3 0 "[ . 1 . 2]" 1
2053 1 9 MET QB 1 10 HIS H . . 4.310 3.185 2.095 3.909 . 0 0 "[ . 1 . 2]" 1
2054 1 12 VAL HA 1 13 GLN QG . . 4.510 4.155 3.702 4.328 . 0 0 "[ . 1 . 2]" 1
2055 1 13 GLN H 1 13 GLN QG . . 3.380 2.635 2.329 3.384 0.004 18 0 "[ . 1 . 2]" 1
2056 1 13 GLN QB 1 14 ASP H . . 3.490 2.573 2.482 2.637 . 0 0 "[ . 1 . 2]" 1
2057 1 13 GLN QB 1 77 TYR QE . . 3.830 2.288 2.213 2.467 . 0 0 "[ . 1 . 2]" 1
2058 1 13 GLN QB 1 79 SER HA . . 4.260 3.424 3.207 3.764 . 0 0 "[ . 1 . 2]" 1
2059 1 13 GLN QB 1 79 SER HB3 . . 4.630 3.926 3.683 4.310 . 0 0 "[ . 1 . 2]" 1
2060 1 13 GLN QG 1 14 ASP H . . 4.060 3.589 3.383 3.954 . 0 0 "[ . 1 . 2]" 1
2061 1 13 GLN QG 1 77 TYR QE . . 4.490 2.922 1.973 3.468 . 0 0 "[ . 1 . 2]" 1
2062 1 13 GLN QG 1 78 ILE H . . 5.340 5.340 5.328 5.349 0.009 18 0 "[ . 1 . 2]" 1
2063 1 14 ASP QB 1 15 LYS H . . 3.440 2.810 2.754 2.845 . 0 0 "[ . 1 . 2]" 1
2064 1 14 ASP QB 1 16 LEU MD1 . . 3.670 2.434 2.329 2.596 . 0 0 "[ . 1 . 2]" 1
2065 1 14 ASP QB 1 78 ILE HB . . 4.610 2.450 2.275 2.565 . 0 0 "[ . 1 . 2]" 1
2066 1 14 ASP QB 1 78 ILE MD . . 3.680 2.533 2.385 2.606 . 0 0 "[ . 1 . 2]" 1
2067 1 14 ASP QB 1 86 LEU MD1 . . 3.340 1.910 1.890 1.947 . 0 0 "[ . 1 . 2]" 1
2068 1 14 ASP QB 1 86 LEU MD2 . . 3.410 2.680 2.590 2.741 . 0 0 "[ . 1 . 2]" 1
2069 1 14 ASP QB 1 90 LYS HG2 . . 5.340 4.543 4.163 4.680 . 0 0 "[ . 1 . 2]" 1
2070 1 15 LYS H 1 15 LYS QB . . 3.430 2.659 2.636 2.676 . 0 0 "[ . 1 . 2]" 1
2071 1 15 LYS QB 1 15 LYS QD . . 3.180 2.099 1.972 2.266 . 0 0 "[ . 1 . 2]" 1
2072 1 15 LYS QB 1 15 LYS QE . . 3.900 2.948 2.117 3.650 . 0 0 "[ . 1 . 2]" 1
2073 1 15 LYS QB 1 16 LEU H . . 3.920 3.585 3.526 3.632 . 0 0 "[ . 1 . 2]" 1
2074 1 15 LYS QB 1 17 PHE QE . . 4.690 2.570 2.339 2.802 . 0 0 "[ . 1 . 2]" 1
2075 1 15 LYS QE 1 15 LYS HG2 . . 3.600 3.124 2.622 3.395 . 0 0 "[ . 1 . 2]" 1
2076 1 15 LYS QE 1 15 LYS HG3 . . 3.280 2.289 2.116 2.497 . 0 0 "[ . 1 . 2]" 1
2077 1 15 LYS QD 1 17 PHE QE . . 4.190 2.913 2.430 3.255 . 0 0 "[ . 1 . 2]" 1
2078 1 15 LYS QD 1 17 PHE HZ . . 3.940 2.969 2.679 3.547 . 0 0 "[ . 1 . 2]" 1
2079 1 15 LYS QD 1 75 TYR QE . . 4.190 2.759 2.480 3.160 . 0 0 "[ . 1 . 2]" 1
2080 1 15 LYS QE 1 17 PHE HZ . . 4.110 3.695 2.295 4.103 . 0 0 "[ . 1 . 2]" 1
2081 1 15 LYS QE 1 75 TYR QE . . 4.310 3.655 2.215 4.274 . 0 0 "[ . 1 . 2]" 1
2082 1 16 LEU H 1 75 TYR QB . . 4.550 3.310 3.243 3.358 . 0 0 "[ . 1 . 2]" 1
2083 1 16 LEU HG 1 90 LYS QE . . 4.310 2.955 2.648 3.086 . 0 0 "[ . 1 . 2]" 1
2084 1 16 LEU MD1 1 90 LYS QE . . 3.840 3.771 3.396 3.846 0.006 6 0 "[ . 1 . 2]" 1
2085 1 16 LEU MD1 1 93 CYS QB . . 3.110 2.338 2.240 2.665 . 0 0 "[ . 1 . 2]" 1
2086 1 16 LEU MD2 1 90 LYS QE . . 3.650 2.699 2.624 3.129 . 0 0 "[ . 1 . 2]" 1
2087 1 16 LEU MD2 1 93 CYS QB . . 3.100 1.897 1.801 2.075 . 0 0 "[ . 1 . 2]" 1
2088 1 16 LEU MD2 1 94 GLU QG . . 3.340 2.001 1.945 2.097 . 0 0 "[ . 1 . 2]" 1
2089 1 17 PHE H 1 17 PHE QB . . 3.090 2.362 2.312 2.403 . 0 0 "[ . 1 . 2]" 1
2090 1 17 PHE H 1 75 TYR QB . . 4.600 3.644 3.596 3.763 . 0 0 "[ . 1 . 2]" 1
2091 1 17 PHE HA 1 75 TYR QB . . 3.470 1.951 1.914 2.002 . 0 0 "[ . 1 . 2]" 1
2092 1 17 PHE QB 1 18 VAL H . . 4.120 3.278 3.124 3.598 . 0 0 "[ . 1 . 2]" 1
2093 1 17 PHE QB 1 19 GLY H . . 4.600 2.887 2.786 2.999 . 0 0 "[ . 1 . 2]" 1
2094 1 17 PHE QD 1 73 PRO QB . . 4.160 3.945 3.786 4.063 . 0 0 "[ . 1 . 2]" 1
2095 1 17 PHE QD 1 75 TYR QB . . 4.060 2.919 2.741 3.192 . 0 0 "[ . 1 . 2]" 1
2096 1 17 PHE QE 1 72 GLU QG . . 4.400 2.977 2.697 3.413 . 0 0 "[ . 1 . 2]" 1
2097 1 17 PHE QE 1 73 PRO QD . . 4.220 2.831 2.566 3.051 . 0 0 "[ . 1 . 2]" 1
2098 1 17 PHE HZ 1 72 GLU QG . . 5.340 4.018 3.293 4.592 . 0 0 "[ . 1 . 2]" 1
2099 1 18 VAL H 1 75 TYR QB . . 4.350 3.231 3.146 3.311 . 0 0 "[ . 1 . 2]" 1
2100 1 18 VAL MG1 1 74 MET QB . . 5.120 4.419 4.245 4.579 . 0 0 "[ . 1 . 2]" 1
2101 1 18 VAL MG1 1 74 MET QG . . 4.080 3.227 3.042 3.403 . 0 0 "[ . 1 . 2]" 1
2102 1 18 VAL MG2 1 74 MET QG . . 3.640 2.123 1.961 2.268 . 0 0 "[ . 1 . 2]" 1
2103 1 20 LEU MD2 1 104 TYR QB . . 3.820 2.665 2.478 2.868 . 0 0 "[ . 1 . 2]" 1
2104 1 21 GLU H 1 21 GLU QB . . 3.590 2.486 2.047 2.632 . 0 0 "[ . 1 . 2]" 1
2105 1 21 GLU H 1 21 GLU QG . . 3.410 2.359 1.965 3.353 . 0 0 "[ . 1 . 2]" 1
2106 1 21 GLU HA 1 21 GLU QG . . 3.370 2.865 2.004 3.337 . 0 0 "[ . 1 . 2]" 1
2107 1 23 ALA MB 1 104 TYR QB . . 4.880 3.421 3.285 3.526 . 0 0 "[ . 1 . 2]" 1
2108 1 24 VAL HA 1 25 PRO QG . . 4.660 4.016 4.012 4.020 . 0 0 "[ . 1 . 2]" 1
2109 1 25 PRO QG 1 26 THR H . . 4.470 2.696 2.490 2.757 . 0 0 "[ . 1 . 2]" 1
2110 1 25 PRO QG 1 26 THR MG . . 4.170 2.698 2.618 2.816 . 0 0 "[ . 1 . 2]" 1
2111 1 27 PHE QE 1 32 LYS QE . . 4.030 2.881 2.455 3.548 . 0 0 "[ . 1 . 2]" 1
2112 1 27 PHE QE 1 104 TYR QB . . 4.910 3.064 2.894 3.230 . 0 0 "[ . 1 . 2]" 1
2113 1 27 PHE HZ 1 32 LYS QE . . 4.530 2.815 2.422 3.337 . 0 0 "[ . 1 . 2]" 1
2114 1 27 PHE HZ 1 104 TYR QB . . 4.890 3.156 2.852 3.381 . 0 0 "[ . 1 . 2]" 1
2115 1 28 ASN HA 1 28 ASN QD . . 4.640 2.826 2.380 3.037 . 0 0 "[ . 1 . 2]" 1
2116 1 28 ASN HB3 1 28 ASN QD . . 3.380 2.216 2.141 2.390 . 0 0 "[ . 1 . 2]" 1
2117 1 28 ASN QD 1 31 GLU H . . 4.360 3.684 3.297 4.190 . 0 0 "[ . 1 . 2]" 1
2118 1 28 ASN QD 1 31 GLU HB2 . . 4.050 3.615 2.703 4.038 . 0 0 "[ . 1 . 2]" 1
2119 1 28 ASN QD 1 31 GLU HG3 . . 3.830 2.969 2.446 3.327 . 0 0 "[ . 1 . 2]" 1
2120 1 30 LYS QE 1 30 LYS HG3 . . 3.560 3.066 2.876 3.389 . 0 0 "[ . 1 . 2]" 1
2121 1 30 LYS HD2 1 59 SER QB . . 4.140 3.689 3.502 3.865 . 0 0 "[ . 1 . 2]" 1
2122 1 30 LYS QE 1 31 GLU HG2 . . 5.340 4.205 3.458 4.972 . 0 0 "[ . 1 . 2]" 1
2123 1 30 LYS QE 1 74 MET ME . . 5.340 4.546 3.739 4.861 . 0 0 "[ . 1 . 2]" 1
2124 1 32 LYS H 1 32 LYS QD . . 4.060 3.708 3.508 3.850 . 0 0 "[ . 1 . 2]" 1
2125 1 32 LYS HA 1 32 LYS QD . . 3.140 2.091 2.006 2.291 . 0 0 "[ . 1 . 2]" 1
2126 1 32 LYS HB3 1 32 LYS QD . . 3.720 2.548 2.365 2.722 . 0 0 "[ . 1 . 2]" 1
2127 1 32 LYS QE 1 32 LYS HG3 . . 3.580 2.164 1.981 2.315 . 0 0 "[ . 1 . 2]" 1
2128 1 32 LYS QE 1 100 VAL HA . . 3.460 3.184 2.989 3.414 . 0 0 "[ . 1 . 2]" 1
2129 1 32 LYS QE 1 100 VAL MG1 . . 5.040 4.706 4.520 4.955 . 0 0 "[ . 1 . 2]" 1
2130 1 32 LYS QE 1 100 VAL MG2 . . 3.770 2.403 2.184 2.674 . 0 0 "[ . 1 . 2]" 1
2131 1 36 PRO HB2 1 39 SER QB . . 4.180 3.970 3.905 4.082 . 0 0 "[ . 1 . 2]" 1
2132 1 36 PRO HB3 1 39 SER QB . . 5.340 4.832 4.790 4.881 . 0 0 "[ . 1 . 2]" 1
2133 1 36 PRO HG2 1 39 SER QB . . 3.600 2.457 2.423 2.513 . 0 0 "[ . 1 . 2]" 1
2134 1 37 GLY QA 1 39 SER H . . 4.040 3.614 3.610 3.623 . 0 0 "[ . 1 . 2]" 1
2135 1 38 CYS HB2 1 42 GLN QG . . 4.330 2.922 2.844 3.005 . 0 0 "[ . 1 . 2]" 1
2136 1 38 CYS HB3 1 42 GLN QG . . 3.800 3.201 3.081 3.267 . 0 0 "[ . 1 . 2]" 1
2137 1 39 SER H 1 39 SER QB . . 2.750 2.232 2.194 2.263 . 0 0 "[ . 1 . 2]" 1
2138 1 39 SER HA 1 42 GLN QG . . 4.190 3.124 3.088 3.165 . 0 0 "[ . 1 . 2]" 1
2139 1 39 SER QB 1 40 TYR QD . . 5.340 2.796 2.659 2.942 . 0 0 "[ . 1 . 2]" 1
2140 1 39 SER QB 1 40 TYR QE . . 5.290 4.216 4.123 4.379 . 0 0 "[ . 1 . 2]" 1
2141 1 39 SER QB 1 42 GLN HB2 . . 4.680 4.299 4.207 4.360 . 0 0 "[ . 1 . 2]" 1
2142 1 40 TYR HA 1 43 HIS QB . . 3.880 3.187 3.148 3.222 . 0 0 "[ . 1 . 2]" 1
2143 1 40 TYR QD 1 43 HIS QB . . 5.340 4.929 4.886 4.961 . 0 0 "[ . 1 . 2]" 1
2144 1 41 LEU MD2 1 53 PHE QB . . 4.530 3.925 3.839 4.004 . 0 0 "[ . 1 . 2]" 1
2145 1 42 GLN H 1 42 GLN QG . . 3.370 2.886 2.829 2.928 . 0 0 "[ . 1 . 2]" 1
2146 1 42 GLN HA 1 42 GLN QG . . 3.280 2.273 2.120 2.487 . 0 0 "[ . 1 . 2]" 1
2147 1 42 GLN HA 1 45 GLN QB . . 3.430 2.130 2.118 2.143 . 0 0 "[ . 1 . 2]" 1
2148 1 42 GLN HA 1 45 GLN QE . . 3.760 2.639 2.009 3.761 0.001 10 0 "[ . 1 . 2]" 1
2149 1 42 GLN QG 1 43 HIS H . . 4.940 4.340 4.330 4.360 . 0 0 "[ . 1 . 2]" 1
2150 1 42 GLN QG 1 45 GLN QE . . 4.730 3.223 2.771 4.300 . 0 0 "[ . 1 . 2]" 1
2151 1 42 GLN QG 1 46 ILE MD . . 3.800 3.656 3.612 3.685 . 0 0 "[ . 1 . 2]" 1
2152 1 43 HIS H 1 43 HIS QB . . 2.870 2.255 2.252 2.256 . 0 0 "[ . 1 . 2]" 1
2153 1 43 HIS QB 1 44 ILE H . . 3.360 2.212 2.172 2.246 . 0 0 "[ . 1 . 2]" 1
2154 1 43 HIS QB 1 46 ILE MD . . 4.560 4.088 4.038 4.128 . 0 0 "[ . 1 . 2]" 1
2155 1 43 HIS QB 1 96 LEU MD1 . . 5.340 3.942 3.871 4.036 . 0 0 "[ . 1 . 2]" 1
2156 1 44 ILE MD 1 96 LEU QB . . 3.970 2.294 2.207 2.422 . 0 0 "[ . 1 . 2]" 1
2157 1 45 GLN H 1 45 GLN QB . . 3.220 2.225 2.218 2.241 . 0 0 "[ . 1 . 2]" 1
2158 1 45 GLN QB 1 45 GLN QE . . 3.460 2.388 1.915 2.810 . 0 0 "[ . 1 . 2]" 1
2159 1 45 GLN QB 1 46 ILE H . . 3.560 2.908 2.903 2.917 . 0 0 "[ . 1 . 2]" 1
2160 1 45 GLN QE 1 52 VAL MG2 . . 5.250 4.225 3.966 4.330 . 0 0 "[ . 1 . 2]" 1
2161 1 51 LYS HA 1 51 LYS QD . . 4.000 3.883 3.697 3.949 . 0 0 "[ . 1 . 2]" 1
2162 1 51 LYS HB2 1 51 LYS QE . . 4.830 3.589 2.495 4.230 . 0 0 "[ . 1 . 2]" 1
2163 1 51 LYS HB3 1 51 LYS QE . . 4.560 3.864 2.938 4.134 . 0 0 "[ . 1 . 2]" 1
2164 1 51 LYS QD 1 51 LYS HG2 . . 2.640 2.248 2.142 2.434 . 0 0 "[ . 1 . 2]" 1
2165 1 51 LYS QE 1 51 LYS HG2 . . 3.610 2.779 2.196 3.422 . 0 0 "[ . 1 . 2]" 1
2166 1 51 LYS QE 1 51 LYS HG3 . . 3.240 2.279 2.013 3.022 . 0 0 "[ . 1 . 2]" 1
2167 1 51 LYS QD 1 53 PHE QD . . 4.580 3.758 2.828 3.995 . 0 0 "[ . 1 . 2]" 1
2168 1 51 LYS QD 1 53 PHE QE . . 4.690 3.547 2.585 4.135 . 0 0 "[ . 1 . 2]" 1
2169 1 53 PHE H 1 77 TYR QB . . 3.990 3.102 3.064 3.181 . 0 0 "[ . 1 . 2]" 1
2170 1 53 PHE QB 1 54 LEU H . . 3.300 3.013 2.929 3.152 . 0 0 "[ . 1 . 2]" 1
2171 1 53 PHE QD 1 55 ARG QB . . 5.340 3.128 2.927 3.351 . 0 0 "[ . 1 . 2]" 1
2172 1 53 PHE QD 1 55 ARG QG . . 4.250 2.594 2.065 3.043 . 0 0 "[ . 1 . 2]" 1
2173 1 53 PHE QE 1 55 ARG QB . . 5.340 3.175 2.793 3.576 . 0 0 "[ . 1 . 2]" 1
2174 1 53 PHE QE 1 55 ARG QG . . 4.530 2.641 1.999 3.518 . 0 0 "[ . 1 . 2]" 1
2175 1 53 PHE QE 1 55 ARG QD . . 3.860 2.598 2.093 3.239 . 0 0 "[ . 1 . 2]" 1
2176 1 54 LEU HB2 1 59 SER QB . . 4.680 4.098 3.736 4.307 . 0 0 "[ . 1 . 2]" 1
2177 1 54 LEU HB3 1 59 SER QB . . 3.990 2.755 2.305 3.017 . 0 0 "[ . 1 . 2]" 1
2178 1 54 LEU MD1 1 74 MET QB . . 3.440 2.701 2.579 2.803 . 0 0 "[ . 1 . 2]" 1
2179 1 54 LEU MD2 1 59 SER QB . . 3.430 2.393 1.924 2.674 . 0 0 "[ . 1 . 2]" 1
2180 1 54 LEU MD2 1 74 MET QG . . 3.920 3.182 3.002 3.377 . 0 0 "[ . 1 . 2]" 1
2181 1 55 ARG H 1 55 ARG QB . . 3.590 2.611 2.549 2.662 . 0 0 "[ . 1 . 2]" 1
2182 1 55 ARG H 1 55 ARG QG . . 4.090 3.985 3.751 4.076 . 0 0 "[ . 1 . 2]" 1
2183 1 55 ARG HA 1 55 ARG QG . . 3.720 2.122 2.018 2.231 . 0 0 "[ . 1 . 2]" 1
2184 1 55 ARG HA 1 61 CYS QB . . 3.810 3.328 2.884 3.633 . 0 0 "[ . 1 . 2]" 1
2185 1 55 ARG QB 1 56 GLY H . . 3.700 2.777 2.527 3.020 . 0 0 "[ . 1 . 2]" 1
2186 1 55 ARG QB 1 75 TYR QE . . 4.360 2.216 2.045 2.605 . 0 0 "[ . 1 . 2]" 1
2187 1 55 ARG QG 1 56 GLY H . . 4.730 2.645 2.336 3.166 . 0 0 "[ . 1 . 2]" 1
2188 1 55 ARG QG 1 75 TYR QE . . 5.300 4.203 4.058 4.561 . 0 0 "[ . 1 . 2]" 1
2189 1 55 ARG QD 1 75 TYR QE . . 3.910 3.219 2.984 3.653 . 0 0 "[ . 1 . 2]" 1
2190 1 55 ARG QD 1 77 TYR QD . . 4.580 3.283 2.797 3.883 . 0 0 "[ . 1 . 2]" 1
2191 1 57 LYS H 1 57 LYS QG . . 4.140 3.962 3.896 4.035 . 0 0 "[ . 1 . 2]" 1
2192 1 57 LYS HA 1 57 LYS QG . . 3.450 2.420 2.239 2.869 . 0 0 "[ . 1 . 2]" 1
2193 1 57 LYS HA 1 57 LYS QD . . 4.750 3.646 2.266 4.092 . 0 0 "[ . 1 . 2]" 1
2194 1 57 LYS HA 1 58 GLY QA . . 4.420 3.937 3.913 3.951 . 0 0 "[ . 1 . 2]" 1
2195 1 57 LYS HB2 1 57 LYS QD . . 3.650 2.529 2.035 3.149 . 0 0 "[ . 1 . 2]" 1
2196 1 57 LYS QE 1 57 LYS QG . . 3.320 2.156 1.975 2.358 . 0 0 "[ . 1 . 2]" 1
2197 1 58 GLY QA 1 74 MET ME . . 3.130 2.791 2.730 2.863 . 0 0 "[ . 1 . 2]" 1
2198 1 59 SER H 1 59 SER QB . . 3.360 2.337 2.212 2.838 . 0 0 "[ . 1 . 2]" 1
2199 1 59 SER H 1 60 GLY QA . . 4.770 4.515 4.432 4.631 . 0 0 "[ . 1 . 2]" 1
2200 1 59 SER H 1 69 GLU QG . . 4.750 4.324 3.989 4.733 . 0 0 "[ . 1 . 2]" 1
2201 1 59 SER H 1 74 MET QB . . 4.440 2.862 2.452 3.075 . 0 0 "[ . 1 . 2]" 1
2202 1 59 SER QB 1 61 CYS H . . 4.040 3.815 3.006 4.041 0.001 5 0 "[ . 1 . 2]" 1
2203 1 59 SER QB 1 74 MET QB . . 4.540 2.751 2.500 3.507 . 0 0 "[ . 1 . 2]" 1
2204 1 59 SER QB 1 74 MET ME . . 4.700 4.331 4.040 4.677 . 0 0 "[ . 1 . 2]" 1
2205 1 61 CYS H 1 61 CYS QB . . 3.290 2.303 2.105 2.425 . 0 0 "[ . 1 . 2]" 1
2206 1 61 CYS QB 1 62 ILE H . . 4.310 3.961 3.918 3.999 . 0 0 "[ . 1 . 2]" 1
2207 1 62 ILE MD 1 69 GLU QG . . 3.540 2.919 2.766 3.066 . 0 0 "[ . 1 . 2]" 1
2208 1 63 GLU H 1 64 PRO QD . . 4.950 2.941 2.939 2.943 . 0 0 "[ . 1 . 2]" 1
2209 1 63 GLU H 1 69 GLU QG . . 4.660 4.604 4.529 4.661 0.001 19 0 "[ . 1 . 2]" 1
2210 1 63 GLU HA 1 64 PRO QG . . 4.030 3.775 3.774 3.776 . 0 0 "[ . 1 . 2]" 1
2211 1 63 GLU QB 1 69 GLU HA . . 4.560 3.501 3.479 3.518 . 0 0 "[ . 1 . 2]" 1
2212 1 63 GLU HG2 1 69 GLU QG . . 4.520 4.233 4.028 4.399 . 0 0 "[ . 1 . 2]" 1
2213 1 63 GLU HG3 1 69 GLU QG . . 4.110 3.873 3.756 3.969 . 0 0 "[ . 1 . 2]" 1
2214 1 65 ALA MB 1 66 SER QB . . 4.000 3.642 3.127 3.997 . 0 0 "[ . 1 . 2]" 1
2215 1 66 SER HA 1 68 ARG QG . . 5.340 5.141 4.833 5.346 0.006 9 0 "[ . 1 . 2]" 1
2216 1 66 SER QB 1 68 ARG QB . . 4.930 3.964 3.589 4.486 . 0 0 "[ . 1 . 2]" 1
2217 1 66 SER QB 1 68 ARG QG . . 3.910 2.943 2.364 3.865 . 0 0 "[ . 1 . 2]" 1
2218 1 68 ARG H 1 68 ARG QB . . 3.650 2.868 2.709 3.061 . 0 0 "[ . 1 . 2]" 1
2219 1 68 ARG H 1 68 ARG QG . . 3.910 2.362 2.000 2.585 . 0 0 "[ . 1 . 2]" 1
2220 1 68 ARG HA 1 68 ARG QD . . 4.320 4.034 3.773 4.265 . 0 0 "[ . 1 . 2]" 1
2221 1 68 ARG QB 1 68 ARG QD . . 3.200 2.094 1.971 2.240 . 0 0 "[ . 1 . 2]" 1
2222 1 68 ARG QB 1 69 GLU H . . 3.170 2.778 2.770 2.785 . 0 0 "[ . 1 . 2]" 1
2223 1 68 ARG QG 1 69 GLU H . . 4.500 4.195 4.027 4.261 . 0 0 "[ . 1 . 2]" 1
2224 1 69 GLU H 1 69 GLU QB . . 3.150 2.316 2.155 2.434 . 0 0 "[ . 1 . 2]" 1
2225 1 69 GLU H 1 69 GLU QG . . 3.290 2.816 2.592 2.985 . 0 0 "[ . 1 . 2]" 1
2226 1 69 GLU HA 1 69 GLU QG . . 3.670 2.245 2.167 2.305 . 0 0 "[ . 1 . 2]" 1
2227 1 69 GLU QB 1 70 ALA H . . 4.050 2.309 2.179 2.508 . 0 0 "[ . 1 . 2]" 1
2228 1 69 GLU QB 1 70 ALA MB . . 5.220 3.706 3.606 3.793 . 0 0 "[ . 1 . 2]" 1
2229 1 70 ALA HA 1 71 PHE QB . . 4.640 4.255 4.098 4.475 . 0 0 "[ . 1 . 2]" 1
2230 1 71 PHE H 1 71 PHE QB . . 3.110 2.261 2.077 2.652 . 0 0 "[ . 1 . 2]" 1
2231 1 71 PHE H 1 72 GLU QG . . 5.340 5.052 4.782 5.340 0.000 4 0 "[ . 1 . 2]" 1
2232 1 72 GLU H 1 72 GLU QG . . 3.760 3.170 3.008 3.390 . 0 0 "[ . 1 . 2]" 1
2233 1 72 GLU H 1 73 PRO QD . . 4.890 4.360 4.355 4.365 . 0 0 "[ . 1 . 2]" 1
2234 1 72 GLU HA 1 72 GLU QG . . 3.400 2.346 2.110 2.730 . 0 0 "[ . 1 . 2]" 1
2235 1 72 GLU HA 1 73 PRO QD . . 2.860 2.169 2.167 2.172 . 0 0 "[ . 1 . 2]" 1
2236 1 72 GLU HB2 1 73 PRO QD . . 4.110 3.455 3.443 3.471 . 0 0 "[ . 1 . 2]" 1
2237 1 72 GLU HB3 1 73 PRO QD . . 3.440 1.976 1.941 2.028 . 0 0 "[ . 1 . 2]" 1
2238 1 72 GLU QG 1 73 PRO QD . . 3.560 2.486 2.157 3.078 . 0 0 "[ . 1 . 2]" 1
2239 1 72 GLU QG 1 75 TYR QE . . 4.570 4.348 4.000 4.562 . 0 0 "[ . 1 . 2]" 1
2240 1 73 PRO QB 1 74 MET H . . 3.480 2.548 2.306 2.657 . 0 0 "[ . 1 . 2]" 1
2241 1 74 MET H 1 74 MET QB . . 3.100 2.407 2.386 2.443 . 0 0 "[ . 1 . 2]" 1
2242 1 74 MET H 1 74 MET QG . . 3.880 2.697 2.622 2.748 . 0 0 "[ . 1 . 2]" 1
2243 1 74 MET QB 1 74 MET ME . . 3.060 2.420 2.343 2.526 . 0 0 "[ . 1 . 2]" 1
2244 1 74 MET QB 1 75 TYR H . . 3.770 2.669 2.586 2.750 . 0 0 "[ . 1 . 2]" 1
2245 1 74 MET ME 1 74 MET QG . . 2.940 2.292 2.143 2.350 . 0 0 "[ . 1 . 2]" 1
2246 1 75 TYR QE 1 77 TYR QB . . 3.920 2.923 2.821 2.994 . 0 0 "[ . 1 . 2]" 1
2247 1 76 ILE HA 1 77 TYR QB . . 4.700 4.002 3.984 4.031 . 0 0 "[ . 1 . 2]" 1
2248 1 76 ILE MG 1 93 CYS QB . . 4.080 3.255 3.108 3.393 . 0 0 "[ . 1 . 2]" 1
2249 1 76 ILE MD 1 93 CYS QB . . 3.440 1.972 1.936 2.009 . 0 0 "[ . 1 . 2]" 1
2250 1 77 TYR H 1 77 TYR QB . . 3.480 2.543 2.508 2.577 . 0 0 "[ . 1 . 2]" 1
2251 1 77 TYR QB 1 78 ILE H . . 4.150 3.846 3.817 3.863 . 0 0 "[ . 1 . 2]" 1
2252 1 78 ILE MD 1 93 CYS QB . . 3.690 3.070 2.911 3.178 . 0 0 "[ . 1 . 2]" 1
2253 1 80 HIS HE1 1 84 GLU QB . . 4.630 3.652 3.587 3.707 . 0 0 "[ . 1 . 2]" 1
2254 1 80 HIS HE1 1 85 GLY QA . . 4.120 2.881 2.864 2.887 . 0 0 "[ . 1 . 2]" 1
2255 1 82 LYS HA 1 82 LYS QD . . 4.080 3.067 2.538 3.464 . 0 0 "[ . 1 . 2]" 1
2256 1 82 LYS HB3 1 82 LYS QD . . 3.550 2.220 1.985 2.455 . 0 0 "[ . 1 . 2]" 1
2257 1 82 LYS HB3 1 82 LYS QE . . 4.500 2.495 1.998 3.637 . 0 0 "[ . 1 . 2]" 1
2258 1 82 LYS QE 1 82 LYS HG2 . . 3.660 3.255 2.891 3.306 . 0 0 "[ . 1 . 2]" 1
2259 1 82 LYS QE 1 82 LYS HG3 . . 3.590 2.189 2.099 2.298 . 0 0 "[ . 1 . 2]" 1
2260 1 82 LYS QD 1 82 LYS QE . . 2.370 2.070 2.033 2.090 . 0 0 "[ . 1 . 2]" 1
2261 1 82 LYS QD 1 83 PRO HD2 . . 4.240 2.991 2.479 3.427 . 0 0 "[ . 1 . 2]" 1
2262 1 84 GLU H 1 84 GLU QB . . 3.580 2.313 2.245 2.599 . 0 0 "[ . 1 . 2]" 1
2263 1 84 GLU HA 1 84 GLU QG . . 3.280 2.484 2.414 2.636 . 0 0 "[ . 1 . 2]" 1
2264 1 84 GLU QB 1 85 GLY H . . 3.620 2.129 2.056 2.184 . 0 0 "[ . 1 . 2]" 1
2265 1 84 GLU QB 1 85 GLY QA . . 4.240 3.672 3.448 3.766 . 0 0 "[ . 1 . 2]" 1
2266 1 84 GLU QB 1 86 LEU H . . 4.620 4.437 4.373 4.471 . 0 0 "[ . 1 . 2]" 1
2267 1 84 GLU QG 1 85 GLY H . . 3.800 3.109 2.843 3.767 . 0 0 "[ . 1 . 2]" 1
2268 1 85 GLY QA 1 88 ALA H . . 3.940 3.083 3.055 3.099 . 0 0 "[ . 1 . 2]" 1
2269 1 85 GLY QA 1 88 ALA MB . . 3.300 2.274 2.161 2.413 . 0 0 "[ . 1 . 2]" 1
2270 1 85 GLY QA 1 89 ALA H . . 3.990 3.556 3.521 3.592 . 0 0 "[ . 1 . 2]" 1
2271 1 87 ALA HA 1 91 LYS QG . . 4.440 4.358 4.189 4.440 . 0 0 "[ . 1 . 2]" 1
2272 1 88 ALA HA 1 91 LYS QG . . 4.570 3.266 2.609 3.779 . 0 0 "[ . 1 . 2]" 1
2273 1 90 LYS HA 1 93 CYS QB . . 3.550 2.642 2.550 2.673 . 0 0 "[ . 1 . 2]" 1
2274 1 90 LYS QE 1 90 LYS HG2 . . 3.310 2.293 2.201 2.613 . 0 0 "[ . 1 . 2]" 1
2275 1 90 LYS HG2 1 94 GLU QG . . 4.080 3.233 3.066 3.487 . 0 0 "[ . 1 . 2]" 1
2276 1 90 LYS HG3 1 94 GLU QG . . 5.340 4.605 4.432 5.005 . 0 0 "[ . 1 . 2]" 1
2277 1 91 LYS H 1 91 LYS QG . . 3.480 2.648 2.415 3.089 . 0 0 "[ . 1 . 2]" 1
2278 1 91 LYS HA 1 91 LYS QD . . 4.550 3.743 2.964 4.092 . 0 0 "[ . 1 . 2]" 1
2279 1 91 LYS HA 1 94 GLU QG . . 4.090 3.119 2.540 3.392 . 0 0 "[ . 1 . 2]" 1
2280 1 92 LEU HA 1 95 ASN QB . . 3.620 2.713 2.563 3.077 . 0 0 "[ . 1 . 2]" 1
2281 1 92 LEU HA 1 95 ASN QD . . 4.010 3.176 2.173 3.574 . 0 0 "[ . 1 . 2]" 1
2282 1 92 LEU HB3 1 95 ASN QD . . 5.340 4.470 4.143 5.058 . 0 0 "[ . 1 . 2]" 1
2283 1 92 LEU MD2 1 95 ASN QB . . 4.040 3.440 3.271 3.585 . 0 0 "[ . 1 . 2]" 1
2284 1 92 LEU MD2 1 95 ASN QD . . 3.540 2.856 2.515 3.042 . 0 0 "[ . 1 . 2]" 1
2285 1 93 CYS H 1 93 CYS QB . . 3.220 2.258 2.235 2.301 . 0 0 "[ . 1 . 2]" 1
2286 1 93 CYS HA 1 96 LEU QB . . 3.230 2.593 2.567 2.617 . 0 0 "[ . 1 . 2]" 1
2287 1 93 CYS QB 1 94 GLU H . . 3.680 2.618 2.455 2.790 . 0 0 "[ . 1 . 2]" 1
2288 1 93 CYS QB 1 95 ASN H . . 5.340 4.625 4.427 4.837 . 0 0 "[ . 1 . 2]" 1
2289 1 94 GLU HA 1 94 GLU QG . . 3.190 2.385 2.227 2.499 . 0 0 "[ . 1 . 2]" 1
2290 1 94 GLU QG 1 95 ASN H . . 4.250 4.174 3.966 4.251 0.001 6 0 "[ . 1 . 2]" 1
2291 1 94 GLU QG 1 97 LEU MD1 . . 5.020 3.879 3.689 4.029 . 0 0 "[ . 1 . 2]" 1
2292 1 95 ASN H 1 95 ASN QB . . 2.960 2.265 2.194 2.585 . 0 0 "[ . 1 . 2]" 1
2293 1 95 ASN HA 1 95 ASN QD . . 4.450 4.121 3.980 4.182 . 0 0 "[ . 1 . 2]" 1
2294 1 95 ASN HA 1 98 GLN QB . . 3.580 3.062 2.915 3.448 . 0 0 "[ . 1 . 2]" 1
2295 1 95 ASN HA 1 98 GLN QG . . 3.770 3.076 2.140 3.351 . 0 0 "[ . 1 . 2]" 1
2296 1 95 ASN QB 1 96 LEU H . . 3.400 2.833 2.721 2.966 . 0 0 "[ . 1 . 2]" 1
2297 1 96 LEU QB 1 96 LEU MD1 . . 3.150 1.968 1.918 2.078 . 0 0 "[ . 1 . 2]" 1
2298 1 96 LEU QB 1 96 LEU MD2 . . 2.990 2.035 1.966 2.090 . 0 0 "[ . 1 . 2]" 1
2299 1 96 LEU QB 1 97 LEU H . . 3.370 2.643 2.511 2.701 . 0 0 "[ . 1 . 2]" 1
2300 1 98 GLN H 1 98 GLN QB . . 3.030 2.314 2.216 2.623 . 0 0 "[ . 1 . 2]" 1
2301 1 98 GLN HA 1 101 HIS QB . . 3.380 2.473 2.385 2.558 . 0 0 "[ . 1 . 2]" 1
2302 1 98 GLN QB 1 99 THR H . . 3.310 2.848 2.731 2.929 . 0 0 "[ . 1 . 2]" 1
2303 1 98 GLN QG 1 99 THR H . . 4.730 4.313 3.880 4.447 . 0 0 "[ . 1 . 2]" 1
2304 1 101 HIS H 1 101 HIS QB . . 3.050 2.164 2.147 2.190 . 0 0 "[ . 1 . 2]" 1
2305 1 101 HIS HA 1 104 TYR QB . . 3.450 3.132 3.016 3.245 . 0 0 "[ . 1 . 2]" 1
2306 1 101 HIS QB 1 102 ALA MB . . 4.470 3.934 3.904 3.960 . 0 0 "[ . 1 . 2]" 1
2307 1 102 ALA HA 1 105 SER QB . . 3.490 2.931 2.801 3.071 . 0 0 "[ . 1 . 2]" 1
2308 1 102 ALA MB 1 105 SER QB . . 4.210 4.110 4.042 4.158 . 0 0 "[ . 1 . 2]" 1
2309 1 103 GLU HA 1 106 ARG QB . . 4.100 2.764 2.619 2.879 . 0 0 "[ . 1 . 2]" 1
2310 1 104 TYR H 1 104 TYR QB . . 2.890 2.241 2.235 2.249 . 0 0 "[ . 1 . 2]" 1
2311 1 104 TYR QB 1 105 SER H . . 3.350 2.451 2.402 2.486 . 0 0 "[ . 1 . 2]" 1
2312 1 105 SER QB 1 106 ARG H . . 3.360 2.905 2.801 3.058 . 0 0 "[ . 1 . 2]" 1
2313 1 106 ARG H 1 106 ARG QB . . 2.930 2.178 2.123 2.243 . 0 0 "[ . 1 . 2]" 1
2314 1 106 ARG H 1 106 ARG QG . . 3.470 3.181 2.976 3.416 . 0 0 "[ . 1 . 2]" 1
2315 1 106 ARG H 1 106 ARG QD . . 5.190 4.570 4.190 4.767 . 0 0 "[ . 1 . 2]" 1
2316 1 106 ARG HA 1 106 ARG QG . . 3.300 2.192 2.037 2.481 . 0 0 "[ . 1 . 2]" 1
2317 1 106 ARG HA 1 106 ARG QD . . 4.270 3.290 2.205 4.029 . 0 0 "[ . 1 . 2]" 1
2318 1 106 ARG HA 1 109 ASN QB . . 4.030 2.369 2.083 2.586 . 0 0 "[ . 1 . 2]" 1
2319 1 106 ARG QB 1 106 ARG QD . . 3.160 2.132 1.973 2.345 . 0 0 "[ . 1 . 2]" 1
2320 1 106 ARG QB 1 107 PHE H . . 3.460 2.886 2.756 2.968 . 0 0 "[ . 1 . 2]" 1
2321 1 107 PHE HA 1 110 GLN QB . . 4.760 4.005 3.104 4.744 . 0 0 "[ . 1 . 2]" 1
2322 1 107 PHE HA 1 110 GLN QG . . 3.990 3.242 2.762 3.689 . 0 0 "[ . 1 . 2]" 1
2323 1 108 VAL H 1 109 ASN QB . . 4.700 4.200 3.918 4.426 . 0 0 "[ . 1 . 2]" 1
2324 1 108 VAL HA 1 111 ILE QG . . 3.520 2.487 2.174 2.697 . 0 0 "[ . 1 . 2]" 1
2325 1 108 VAL MG1 1 109 ASN QB . . 5.340 3.339 3.165 3.552 . 0 0 "[ . 1 . 2]" 1
2326 1 108 VAL MG2 1 109 ASN QB . . 5.340 4.753 4.504 5.014 . 0 0 "[ . 1 . 2]" 1
2327 1 109 ASN H 1 109 ASN QB . . 2.860 2.161 2.046 2.240 . 0 0 "[ . 1 . 2]" 1
2328 1 109 ASN QB 1 110 GLN H . . 3.570 2.817 2.543 2.977 . 0 0 "[ . 1 . 2]" 1
2329 1 110 GLN H 1 110 GLN QB . . 2.990 2.456 2.239 2.731 . 0 0 "[ . 1 . 2]" 1
2330 1 110 GLN H 1 110 GLN QG . . 3.290 2.338 1.929 2.975 . 0 0 "[ . 1 . 2]" 1
2331 1 110 GLN HA 1 110 GLN QG . . 3.510 2.776 2.177 3.340 . 0 0 "[ . 1 . 2]" 1
2332 1 110 GLN QB 1 111 ILE H . . 3.450 3.088 2.646 3.451 0.001 3 0 "[ . 1 . 2]" 1
2333 1 111 ILE H 1 111 ILE QG . . 2.940 1.980 1.933 2.032 . 0 0 "[ . 1 . 2]" 1
2334 1 111 ILE HA 1 111 ILE QG . . 3.090 2.449 2.408 2.492 . 0 0 "[ . 1 . 2]" 1
2335 1 112 ASN H 1 112 ASN QB . . 3.630 2.354 2.126 3.393 . 0 0 "[ . 1 . 2]" 1
2336 1 115 VAL H 1 115 VAL QG . . 3.270 2.558 2.263 2.770 . 0 0 "[ . 1 . 2]" 1
2337 1 115 VAL HA 1 116 PRO QG . . 5.000 3.772 3.772 3.773 . 0 0 "[ . 1 . 2]" 1
2338 1 115 VAL HA 1 116 PRO QD . . 2.770 1.855 1.854 1.856 . 0 0 "[ . 1 . 2]" 1
2339 1 115 VAL HB 1 116 PRO QD . . 4.550 4.278 4.259 4.295 . 0 0 "[ . 1 . 2]" 1
2340 1 115 VAL QG 1 116 PRO QD . . 3.900 2.686 2.585 2.786 . 0 0 "[ . 1 . 2]" 1
2341 1 116 PRO QB 1 117 LEU H . . 3.760 2.708 2.062 3.466 . 0 0 "[ . 1 . 2]" 1
2342 1 117 LEU H 1 117 LEU QB . . 3.630 2.569 2.230 3.068 . 0 0 "[ . 1 . 2]" 1
2343 1 117 LEU H 1 117 LEU QD . . 4.690 2.819 2.010 3.544 . 0 0 "[ . 1 . 2]" 1
2344 1 117 LEU HA 1 117 LEU QD . . 3.950 2.765 1.973 3.446 . 0 0 "[ . 1 . 2]" 1
2345 1 117 LEU HA 1 118 PRO QD . . 2.960 2.106 2.099 2.112 . 0 0 "[ . 1 . 2]" 1
2346 1 117 LEU QB 1 118 PRO QD . . 4.350 1.971 1.921 2.059 . 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 15
_Distance_constraint_stats_list.Viol_count 296
_Distance_constraint_stats_list.Viol_total 1195.536
_Distance_constraint_stats_list.Viol_max 0.551
_Distance_constraint_stats_list.Viol_rms 0.1208
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1993
_Distance_constraint_stats_list.Viol_average_violations_only 0.2019
_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 16 LEU 9.563 0.259 4 0 "[ . 1 . 2]"
1 27 PHE 10.671 0.551 14 20 [*************+**-***]
1 28 ASN 10.671 0.551 14 20 [*************+**-***]
1 51 LYS 15.067 0.291 15 0 "[ . 1 . 2]"
1 53 PHE 9.444 0.269 18 0 "[ . 1 . 2]"
1 55 ARG 15.032 0.282 17 0 "[ . 1 . 2]"
1 75 TYR 15.032 0.282 17 0 "[ . 1 . 2]"
1 76 ILE 9.563 0.259 4 0 "[ . 1 . 2]"
1 77 TYR 9.444 0.269 18 0 "[ . 1 . 2]"
1 79 SER 15.067 0.291 15 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 53 PHE H 1 77 TYR O . . 1.800 2.010 2.004 2.016 0.216 6 0 "[ . 1 . 2]" 2
2 1 53 PHE N 1 77 TYR O . . 2.700 2.962 2.955 2.969 0.269 18 0 "[ . 1 . 2]" 2
3 1 55 ARG H 1 75 TYR O . . 1.800 2.002 1.998 2.006 0.206 17 0 "[ . 1 . 2]" 2
4 1 55 ARG N 1 75 TYR O . . 2.700 2.975 2.967 2.982 0.282 17 0 "[ . 1 . 2]" 2
5 1 16 LEU O 1 76 ILE H . . 1.800 1.821 1.795 1.893 0.093 17 0 "[ . 1 . 2]" 2
6 1 16 LEU O 1 76 ILE N . . 2.700 2.776 2.748 2.853 0.153 17 0 "[ . 1 . 2]" 2
7 1 16 LEU H 1 76 ILE O . . 1.800 1.963 1.883 2.008 0.208 4 0 "[ . 1 . 2]" 2
8 1 16 LEU N 1 76 ILE O . . 2.700 2.917 2.845 2.959 0.259 4 0 "[ . 1 . 2]" 2
9 1 51 LYS H 1 79 SER O . . 1.800 2.016 2.007 2.025 0.225 6 0 "[ . 1 . 2]" 2
10 1 51 LYS N 1 79 SER O . . 2.700 2.983 2.974 2.991 0.291 15 0 "[ . 1 . 2]" 2
11 1 51 LYS O 1 79 SER H . . 1.800 2.012 2.005 2.021 0.221 17 0 "[ . 1 . 2]" 2
12 1 51 LYS O 1 79 SER N . . 2.700 2.743 2.735 2.749 0.049 19 0 "[ . 1 . 2]" 2
13 1 55 ARG O 1 75 TYR H . . 1.800 1.988 1.924 2.001 0.201 17 0 "[ . 1 . 2]" 2
14 1 55 ARG O 1 75 TYR N . . 2.700 2.787 2.752 2.825 0.125 7 0 "[ . 1 . 2]" 2
15 1 27 PHE HA 1 28 ASN H . . 3.000 3.534 3.516 3.551 0.551 14 20 [*************+**-***] 2
stop_
save_
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