NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445871 |
2kkv   |
16373 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kkv
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 1390
_Distance_constraint_stats_list.Viol_count 918
_Distance_constraint_stats_list.Viol_total 1298.647
_Distance_constraint_stats_list.Viol_max 0.352
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0707
_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 2 GLU 0.370 0.305 16 0 "[ . 1 . 2]"
1 3 ASN 0.924 0.305 16 0 "[ . 1 . 2]"
1 4 SER 0.010 0.010 4 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.328 0.188 14 0 "[ . 1 . 2]"
1 7 TYR 0.686 0.188 14 0 "[ . 1 . 2]"
1 8 THR 0.359 0.117 8 0 "[ . 1 . 2]"
1 9 PHE 0.312 0.076 15 0 "[ . 1 . 2]"
1 10 GLU 0.911 0.114 12 0 "[ . 1 . 2]"
1 11 THR 0.003 0.003 3 0 "[ . 1 . 2]"
1 12 ILE 0.314 0.133 8 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 2.147 0.188 8 0 "[ . 1 . 2]"
1 15 GLU 3.231 0.188 8 0 "[ . 1 . 2]"
1 16 TRP 3.992 0.229 2 0 "[ . 1 . 2]"
1 17 HIS 2.332 0.229 2 0 "[ . 1 . 2]"
1 18 GLU 0.141 0.046 14 0 "[ . 1 . 2]"
1 19 SER 0.141 0.046 14 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.717 0.178 20 0 "[ . 1 . 2]"
1 22 ARG 1.363 0.178 7 0 "[ . 1 . 2]"
1 23 TRP 2.444 0.181 3 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 0.025 0.025 16 0 "[ . 1 . 2]"
1 26 ASP 0.025 0.025 16 0 "[ . 1 . 2]"
1 27 HIS 0.303 0.172 18 0 "[ . 1 . 2]"
1 28 ARG 0.343 0.172 18 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.433 0.107 11 0 "[ . 1 . 2]"
1 31 VAL 0.445 0.107 11 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.340 0.110 8 0 "[ . 1 . 2]"
1 34 TYR 0.596 0.110 8 0 "[ . 1 . 2]"
1 35 LEU 0.313 0.164 1 0 "[ . 1 . 2]"
1 36 GLU 0.056 0.056 13 0 "[ . 1 . 2]"
1 37 LEU 0.249 0.082 19 0 "[ . 1 . 2]"
1 38 TYR 0.262 0.082 19 0 "[ . 1 . 2]"
1 39 ILE 1.654 0.351 13 0 "[ . 1 . 2]"
1 40 PHE 2.617 0.351 13 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 HIS 0.204 0.093 12 0 "[ . 1 . 2]"
1 43 ILE 0.520 0.081 14 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.039 0.021 5 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.356 0.076 15 0 "[ . 1 . 2]"
1 49 ARG 0.093 0.029 10 0 "[ . 1 . 2]"
1 50 GLN 2.727 0.266 13 0 "[ . 1 . 2]"
1 51 LEU 2.071 0.266 13 0 "[ . 1 . 2]"
1 52 LYS 0.664 0.134 10 0 "[ . 1 . 2]"
1 53 THR 0.920 0.111 4 0 "[ . 1 . 2]"
1 54 SER 0.033 0.031 3 0 "[ . 1 . 2]"
1 55 HIS 1.595 0.134 10 0 "[ . 1 . 2]"
1 56 LEU 1.644 0.103 14 0 "[ . 1 . 2]"
1 57 LEU 0.702 0.102 6 0 "[ . 1 . 2]"
1 58 ALA 0.695 0.102 6 0 "[ . 1 . 2]"
1 59 PRO 3.145 0.243 19 0 "[ . 1 . 2]"
1 60 ILE 0.577 0.123 12 0 "[ . 1 . 2]"
1 61 LYS 4.966 0.324 20 0 "[ . 1 . 2]"
1 62 GLU 2.214 0.253 4 0 "[ . 1 . 2]"
1 63 VAL 0.769 0.123 12 0 "[ . 1 . 2]"
1 64 ASP 0.226 0.132 3 0 "[ . 1 . 2]"
1 65 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.618 0.290 3 0 "[ . 1 . 2]"
1 68 LYS 3.801 0.346 5 0 "[ . 1 . 2]"
1 69 HIS 2.526 0.346 5 0 "[ . 1 . 2]"
1 70 ASP 0.111 0.049 17 0 "[ . 1 . 2]"
1 71 VAL 0.036 0.020 9 0 "[ . 1 . 2]"
1 72 ALA 0.019 0.019 8 0 "[ . 1 . 2]"
1 73 GLN 6.428 0.193 18 0 "[ . 1 . 2]"
1 74 ARG 2.923 0.154 5 0 "[ . 1 . 2]"
1 75 LEU 0.543 0.211 19 0 "[ . 1 . 2]"
1 76 GLN 4.625 0.265 15 0 "[ . 1 . 2]"
1 77 GLN 3.288 0.265 15 0 "[ . 1 . 2]"
1 78 ARG 0.505 0.093 4 0 "[ . 1 . 2]"
1 79 VAL 0.766 0.093 4 0 "[ . 1 . 2]"
1 80 THR 0.029 0.029 1 0 "[ . 1 . 2]"
1 81 ALA 0.060 0.032 18 0 "[ . 1 . 2]"
1 82 ILE 0.178 0.066 20 0 "[ . 1 . 2]"
1 83 MET 0.136 0.078 19 0 "[ . 1 . 2]"
1 84 ARG 0.136 0.052 13 0 "[ . 1 . 2]"
1 85 TYR 0.835 0.150 9 0 "[ . 1 . 2]"
1 86 ALA 0.151 0.062 8 0 "[ . 1 . 2]"
1 87 VAL 0.944 0.298 4 0 "[ . 1 . 2]"
1 88 GLN 1.137 0.298 4 0 "[ . 1 . 2]"
1 89 ASN 0.597 0.117 12 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.288 0.096 6 0 "[ . 1 . 2]"
1 92 ILE 0.320 0.108 11 0 "[ . 1 . 2]"
1 93 ASP 0.641 0.216 3 0 "[ . 1 . 2]"
1 94 SER 0.849 0.216 3 0 "[ . 1 . 2]"
1 95 ASN 1.526 0.352 6 0 "[ . 1 . 2]"
1 96 PRO 0.723 0.124 15 0 "[ . 1 . 2]"
1 97 ALA 0.764 0.124 15 0 "[ . 1 . 2]"
1 98 SER 0.221 0.060 18 0 "[ . 1 . 2]"
1 99 ASP 0.219 0.060 18 0 "[ . 1 . 2]"
1 100 MET 1.126 0.111 4 0 "[ . 1 . 2]"
1 101 ALA 0.618 0.108 13 0 "[ . 1 . 2]"
1 102 GLY 0.531 0.108 13 0 "[ . 1 . 2]"
1 103 ALA 0.979 0.128 16 0 "[ . 1 . 2]"
1 104 LEU 1.748 0.204 7 0 "[ . 1 . 2]"
1 105 SER 0.857 0.186 7 0 "[ . 1 . 2]"
1 106 THR 1.981 0.217 15 0 "[ . 1 . 2]"
1 107 THR 2.857 0.217 15 0 "[ . 1 . 2]"
1 108 LYS 6.453 0.352 19 0 "[ . 1 . 2]"
1 109 ALA 3.067 0.264 8 0 "[ . 1 . 2]"
1 110 ARG 1.752 0.175 18 0 "[ . 1 . 2]"
1 111 HIS 0.778 0.173 11 0 "[ . 1 . 2]"
1 112 TYR 0.141 0.061 17 0 "[ . 1 . 2]"
1 113 PRO 2.261 0.201 5 0 "[ . 1 . 2]"
1 114 LEU 2.806 0.206 8 0 "[ . 1 . 2]"
1 115 GLU 0.545 0.206 8 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 2 GLU HB2 1 3 ASN H 5.500 . 5.500 3.687 2.399 4.588 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU HB3 1 3 ASN H 5.500 . 5.500 3.484 1.719 4.445 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU HG2 1 3 ASN H 5.500 . 5.500 4.407 2.122 5.805 0.305 16 0 "[ . 1 . 2]" 1
4 1 2 GLU HG3 1 3 ASN H 5.500 . 5.500 4.484 2.333 5.335 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASN HA 1 3 ASN HD21 4.350 . 4.350 3.184 1.750 4.383 0.033 14 0 "[ . 1 . 2]" 1
6 1 3 ASN HA 1 3 ASN QD 3.930 . 3.930 3.037 1.745 3.970 0.040 14 0 "[ . 1 . 2]" 1
7 1 3 ASN HA 1 3 ASN HD22 4.350 . 4.350 4.006 3.372 4.539 0.189 14 0 "[ . 1 . 2]" 1
8 1 3 ASN HA 1 4 SER H 3.020 . 3.020 2.269 2.110 3.030 0.010 4 0 "[ . 1 . 2]" 1
9 1 4 SER H 1 5 GLY H 5.280 . 5.280 3.550 1.723 4.642 . 0 0 "[ . 1 . 2]" 1
10 1 4 SER QB 1 5 GLY H 4.450 . 4.450 3.130 1.907 3.986 . 0 0 "[ . 1 . 2]" 1
11 1 4 SER HB2 1 5 GLY H 5.220 . 5.220 3.874 2.564 4.585 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER HB3 1 5 GLY H 5.220 . 5.220 3.505 1.916 4.495 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLY H 1 6 ALA H 4.880 . 4.880 3.707 2.287 4.484 . 0 0 "[ . 1 . 2]" 1
14 1 6 ALA H 1 7 TYR H 4.260 . 4.260 3.287 2.169 4.448 0.188 14 0 "[ . 1 . 2]" 1
15 1 7 TYR H 1 8 THR H 4.070 . 4.070 2.956 1.733 4.187 0.117 8 0 "[ . 1 . 2]" 1
16 1 7 TYR HA 1 12 ILE MD 5.560 . 5.560 4.111 2.617 5.461 . 0 0 "[ . 1 . 2]" 1
17 1 7 TYR HA 1 48 ILE MG 6.520 . 6.520 4.888 3.567 6.254 . 0 0 "[ . 1 . 2]" 1
18 1 7 TYR HB2 1 8 THR H 5.500 . 5.500 4.250 3.087 4.598 . 0 0 "[ . 1 . 2]" 1
19 1 7 TYR HB2 1 12 ILE MD 6.520 . 6.520 4.655 2.664 6.185 . 0 0 "[ . 1 . 2]" 1
20 1 7 TYR HB2 1 48 ILE MG 6.520 . 6.520 4.442 2.274 6.297 . 0 0 "[ . 1 . 2]" 1
21 1 7 TYR HB3 1 8 THR H 5.500 . 5.500 4.370 3.828 4.653 . 0 0 "[ . 1 . 2]" 1
22 1 7 TYR HB3 1 12 ILE MD 6.520 . 6.520 4.918 3.116 6.510 . 0 0 "[ . 1 . 2]" 1
23 1 7 TYR HB3 1 48 ILE MG 6.520 . 6.520 5.105 3.073 6.182 . 0 0 "[ . 1 . 2]" 1
24 1 7 TYR QD 1 12 ILE MD 8.650 . 8.650 4.804 2.160 6.940 . 0 0 "[ . 1 . 2]" 1
25 1 7 TYR QD 1 48 ILE MG 8.650 . 8.650 4.235 1.922 6.379 . 0 0 "[ . 1 . 2]" 1
26 1 8 THR H 1 8 THR HB 4.200 . 4.200 3.040 2.426 3.798 . 0 0 "[ . 1 . 2]" 1
27 1 8 THR H 1 9 PHE H 5.500 . 5.500 4.436 3.490 4.619 . 0 0 "[ . 1 . 2]" 1
28 1 8 THR HB 1 9 PHE H 5.410 . 5.410 3.185 1.719 4.346 . 0 0 "[ . 1 . 2]" 1
29 1 8 THR MG 1 9 PHE H 6.520 . 6.520 2.611 1.384 3.688 . 0 0 "[ . 1 . 2]" 1
30 1 9 PHE H 1 10 GLU H 4.820 . 4.820 2.773 2.473 2.999 . 0 0 "[ . 1 . 2]" 1
31 1 9 PHE H 1 48 ILE H 5.340 . 5.340 4.221 2.747 5.416 0.076 15 0 "[ . 1 . 2]" 1
32 1 9 PHE H 1 48 ILE MD 6.520 . 6.520 4.504 3.098 5.903 . 0 0 "[ . 1 . 2]" 1
33 1 9 PHE HA 1 12 ILE H 5.340 . 5.340 3.767 3.105 4.372 . 0 0 "[ . 1 . 2]" 1
34 1 9 PHE HA 1 12 ILE HB 4.690 . 4.690 3.480 2.780 4.536 . 0 0 "[ . 1 . 2]" 1
35 1 9 PHE HA 1 48 ILE HB 5.500 . 5.500 2.830 1.519 5.161 . 0 0 "[ . 1 . 2]" 1
36 1 9 PHE HA 1 48 ILE MD 5.750 . 5.750 2.473 1.496 3.945 . 0 0 "[ . 1 . 2]" 1
37 1 9 PHE HA 1 48 ILE HG12 5.500 . 5.500 4.533 3.252 5.517 0.017 15 0 "[ . 1 . 2]" 1
38 1 9 PHE HA 1 48 ILE HG13 5.500 . 5.500 4.110 2.498 5.249 . 0 0 "[ . 1 . 2]" 1
39 1 9 PHE HA 1 48 ILE MG 6.520 . 6.520 3.108 2.036 4.634 . 0 0 "[ . 1 . 2]" 1
40 1 9 PHE QB 1 51 LEU QD 8.920 . 8.920 4.491 2.303 5.535 . 0 0 "[ . 1 . 2]" 1
41 1 9 PHE HB2 1 10 GLU H 5.160 . 5.160 3.847 3.698 4.071 . 0 0 "[ . 1 . 2]" 1
42 1 9 PHE HB2 1 48 ILE MD 6.520 . 6.520 3.794 2.321 5.129 . 0 0 "[ . 1 . 2]" 1
43 1 9 PHE HB3 1 10 GLU H 5.160 . 5.160 2.677 2.371 4.006 . 0 0 "[ . 1 . 2]" 1
44 1 9 PHE HB3 1 48 ILE MD 6.520 . 6.520 4.610 3.438 5.582 . 0 0 "[ . 1 . 2]" 1
45 1 9 PHE QD 1 10 GLU H 7.630 . 7.630 3.575 3.009 4.356 . 0 0 "[ . 1 . 2]" 1
46 1 9 PHE QD 1 13 ALA MB 8.650 . 8.650 3.735 2.348 4.396 . 0 0 "[ . 1 . 2]" 1
47 1 9 PHE QD 1 43 ILE MD 8.650 . 8.650 6.364 5.599 7.291 . 0 0 "[ . 1 . 2]" 1
48 1 9 PHE QD 1 48 ILE HB 7.630 . 7.630 2.475 1.269 5.899 . 0 0 "[ . 1 . 2]" 1
49 1 9 PHE QD 1 48 ILE MD 8.650 . 8.650 2.857 1.796 4.808 . 0 0 "[ . 1 . 2]" 1
50 1 9 PHE QD 1 48 ILE QG 8.510 . 8.510 2.934 1.597 4.271 . 0 0 "[ . 1 . 2]" 1
51 1 9 PHE QD 1 48 ILE MG 8.650 . 8.650 3.803 2.813 5.181 . 0 0 "[ . 1 . 2]" 1
52 1 9 PHE QD 1 51 LEU QD 10.200 . 10.200 3.435 2.280 4.290 . 0 0 "[ . 1 . 2]" 1
53 1 9 PHE QD 1 56 LEU QD 10.200 . 10.200 6.301 5.290 7.197 . 0 0 "[ . 1 . 2]" 1
54 1 9 PHE QD 1 82 ILE MD 8.650 . 8.650 3.971 3.006 5.616 . 0 0 "[ . 1 . 2]" 1
55 1 9 PHE QD 1 82 ILE MG 8.650 . 8.650 3.643 2.752 5.351 . 0 0 "[ . 1 . 2]" 1
56 1 9 PHE QE 1 10 GLU HG2 7.630 . 7.630 6.295 4.576 7.596 . 0 0 "[ . 1 . 2]" 1
57 1 9 PHE QE 1 10 GLU HG3 7.630 . 7.630 6.447 4.976 7.638 0.008 18 0 "[ . 1 . 2]" 1
58 1 9 PHE QE 1 13 ALA MB 8.190 . 8.190 3.701 2.244 4.469 . 0 0 "[ . 1 . 2]" 1
59 1 9 PHE QE 1 43 ILE MD 8.650 . 8.650 5.537 4.087 6.353 . 0 0 "[ . 1 . 2]" 1
60 1 9 PHE QE 1 48 ILE MD 8.650 . 8.650 3.751 2.518 6.578 . 0 0 "[ . 1 . 2]" 1
61 1 9 PHE QE 1 56 LEU QD 10.200 . 10.200 5.296 4.447 6.064 . 0 0 "[ . 1 . 2]" 1
62 1 9 PHE QE 1 79 VAL MG1 8.650 . 8.650 3.933 2.420 6.196 . 0 0 "[ . 1 . 2]" 1
63 1 9 PHE QE 1 79 VAL MG2 8.650 . 8.650 3.965 1.968 5.754 . 0 0 "[ . 1 . 2]" 1
64 1 9 PHE QE 1 82 ILE MD 8.650 . 8.650 2.932 2.236 4.608 . 0 0 "[ . 1 . 2]" 1
65 1 9 PHE QE 1 82 ILE MG 8.650 . 8.650 3.132 2.048 4.662 . 0 0 "[ . 1 . 2]" 1
66 1 9 PHE HZ 1 13 ALA MB 6.210 . 6.210 4.848 3.917 5.785 . 0 0 "[ . 1 . 2]" 1
67 1 9 PHE HZ 1 43 ILE MD 6.520 . 6.520 5.837 3.852 6.560 0.040 10 0 "[ . 1 . 2]" 1
68 1 9 PHE HZ 1 51 LEU QD 8.070 . 8.070 4.074 2.893 5.537 . 0 0 "[ . 1 . 2]" 1
69 1 9 PHE HZ 1 56 LEU QD 8.070 . 8.070 5.666 4.612 6.798 . 0 0 "[ . 1 . 2]" 1
70 1 9 PHE HZ 1 79 VAL MG1 6.520 . 6.520 3.613 1.788 5.827 . 0 0 "[ . 1 . 2]" 1
71 1 9 PHE HZ 1 79 VAL QG 6.100 . 6.100 2.824 1.787 5.036 . 0 0 "[ . 1 . 2]" 1
72 1 9 PHE HZ 1 79 VAL MG2 6.520 . 6.520 3.659 2.081 5.652 . 0 0 "[ . 1 . 2]" 1
73 1 9 PHE HZ 1 82 ILE MD 6.430 . 6.430 2.928 1.508 6.465 0.035 9 0 "[ . 1 . 2]" 1
74 1 9 PHE HZ 1 82 ILE MG 6.520 . 6.520 3.556 2.309 6.237 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLU H 1 10 GLU HG2 5.500 . 5.500 3.620 2.026 4.436 . 0 0 "[ . 1 . 2]" 1
76 1 10 GLU H 1 10 GLU HG3 5.500 . 5.500 3.373 1.575 4.544 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLU H 1 11 THR H 4.450 . 4.450 2.676 2.490 2.856 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLU HA 1 13 ALA H 5.190 . 5.190 3.503 3.300 4.098 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLU HA 1 13 ALA MB 6.430 . 6.430 2.624 2.234 3.539 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLU HA 1 14 ARG H 5.220 . 5.220 4.245 3.895 5.231 0.011 1 0 "[ . 1 . 2]" 1
81 1 10 GLU HA 1 40 PHE HZ 5.500 . 5.500 5.396 4.229 5.614 0.114 12 0 "[ . 1 . 2]" 1
82 1 10 GLU HB2 1 11 THR H 5.500 . 5.500 3.219 2.248 3.883 . 0 0 "[ . 1 . 2]" 1
83 1 10 GLU HB3 1 11 THR H 5.500 . 5.500 3.370 2.490 4.278 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLU QG 1 40 PHE QD 8.510 . 8.510 5.688 3.776 7.736 . 0 0 "[ . 1 . 2]" 1
85 1 10 GLU QG 1 40 PHE HZ 6.380 . 6.380 5.114 2.821 6.431 0.051 17 0 "[ . 1 . 2]" 1
86 1 10 GLU HG2 1 11 THR H 5.500 . 5.500 4.673 3.611 5.200 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLU HG3 1 11 THR H 5.500 . 5.500 4.700 3.173 5.295 . 0 0 "[ . 1 . 2]" 1
88 1 11 THR H 1 12 ILE H 4.140 . 4.140 2.683 2.531 2.918 . 0 0 "[ . 1 . 2]" 1
89 1 11 THR HA 1 14 ARG H 5.280 . 5.280 3.481 3.137 3.950 . 0 0 "[ . 1 . 2]" 1
90 1 11 THR HA 1 14 ARG HB2 5.500 . 5.500 3.199 2.154 5.503 0.003 3 0 "[ . 1 . 2]" 1
91 1 11 THR HA 1 14 ARG QB 5.330 . 5.330 2.803 2.030 4.174 . 0 0 "[ . 1 . 2]" 1
92 1 11 THR HA 1 14 ARG HB3 5.500 . 5.500 3.428 2.251 5.089 . 0 0 "[ . 1 . 2]" 1
93 1 11 THR HB 1 12 ILE H 4.970 . 4.970 2.866 2.366 4.099 . 0 0 "[ . 1 . 2]" 1
94 1 11 THR MG 1 12 ILE H 6.390 . 6.390 3.459 2.315 4.107 . 0 0 "[ . 1 . 2]" 1
95 1 12 ILE H 1 12 ILE HB 3.890 . 3.890 2.527 2.393 2.705 . 0 0 "[ . 1 . 2]" 1
96 1 12 ILE H 1 12 ILE HG12 5.250 . 5.250 2.981 2.010 4.013 . 0 0 "[ . 1 . 2]" 1
97 1 12 ILE H 1 12 ILE HG13 5.250 . 5.250 2.759 1.821 3.713 . 0 0 "[ . 1 . 2]" 1
98 1 12 ILE H 1 13 ALA H 4.170 . 4.170 2.548 2.395 2.671 . 0 0 "[ . 1 . 2]" 1
99 1 12 ILE HA 1 15 GLU H 4.420 . 4.420 3.540 3.258 3.884 . 0 0 "[ . 1 . 2]" 1
100 1 12 ILE HA 1 15 GLU HB2 4.510 . 4.510 3.226 2.623 4.031 . 0 0 "[ . 1 . 2]" 1
101 1 12 ILE HA 1 15 GLU HB3 4.510 . 4.510 3.980 3.075 4.643 0.133 8 0 "[ . 1 . 2]" 1
102 1 12 ILE HB 1 13 ALA H 4.110 . 4.110 2.709 2.494 2.967 . 0 0 "[ . 1 . 2]" 1
103 1 12 ILE MD 1 13 ALA H 6.520 . 6.520 4.637 3.920 4.935 . 0 0 "[ . 1 . 2]" 1
104 1 12 ILE MD 1 48 ILE HB 6.520 . 6.520 4.485 2.793 6.436 . 0 0 "[ . 1 . 2]" 1
105 1 12 ILE MD 1 48 ILE MD 7.540 . 7.540 2.464 1.591 3.734 . 0 0 "[ . 1 . 2]" 1
106 1 12 ILE MD 1 48 ILE MG 7.540 . 7.540 2.921 1.799 4.877 . 0 0 "[ . 1 . 2]" 1
107 1 12 ILE MD 1 86 ALA HA 6.520 . 6.520 3.801 2.544 5.958 . 0 0 "[ . 1 . 2]" 1
108 1 12 ILE MD 1 86 ALA MB 7.540 . 7.540 3.521 1.736 4.927 . 0 0 "[ . 1 . 2]" 1
109 1 12 ILE MD 1 91 TYR QB 7.400 . 7.400 4.614 3.097 6.668 . 0 0 "[ . 1 . 2]" 1
110 1 12 ILE MD 1 91 TYR QD 8.650 . 8.650 3.917 2.209 5.326 . 0 0 "[ . 1 . 2]" 1
111 1 12 ILE MD 1 91 TYR QE 8.650 . 8.650 3.601 1.807 6.377 . 0 0 "[ . 1 . 2]" 1
112 1 12 ILE HG12 1 13 ALA H 5.500 . 5.500 4.702 4.036 5.218 . 0 0 "[ . 1 . 2]" 1
113 1 12 ILE HG13 1 13 ALA H 5.500 . 5.500 4.514 3.859 5.023 . 0 0 "[ . 1 . 2]" 1
114 1 12 ILE MG 1 13 ALA H 6.520 . 6.520 3.521 3.324 3.751 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE MG 1 13 ALA HA 6.520 . 6.520 3.557 3.232 3.848 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE MG 1 15 GLU HB2 6.520 . 6.520 4.084 3.436 4.803 . 0 0 "[ . 1 . 2]" 1
117 1 12 ILE MG 1 15 GLU HB3 6.520 . 6.520 4.044 3.133 4.687 . 0 0 "[ . 1 . 2]" 1
118 1 12 ILE MG 1 48 ILE MD 7.540 . 7.540 2.895 2.149 4.387 . 0 0 "[ . 1 . 2]" 1
119 1 12 ILE MG 1 48 ILE MG 7.540 . 7.540 4.524 3.262 5.912 . 0 0 "[ . 1 . 2]" 1
120 1 12 ILE MG 1 82 ILE MG 7.540 . 7.540 2.581 1.883 3.818 . 0 0 "[ . 1 . 2]" 1
121 1 12 ILE MG 1 85 TYR QD 8.650 . 8.650 3.280 1.725 5.332 . 0 0 "[ . 1 . 2]" 1
122 1 12 ILE MG 1 86 ALA H 6.520 . 6.520 3.737 2.812 4.703 . 0 0 "[ . 1 . 2]" 1
123 1 12 ILE MG 1 86 ALA HA 6.520 . 6.520 3.602 2.799 4.600 . 0 0 "[ . 1 . 2]" 1
124 1 12 ILE MG 1 86 ALA MB 7.350 . 7.350 3.055 1.722 4.542 . 0 0 "[ . 1 . 2]" 1
125 1 12 ILE MG 1 91 TYR QD 8.650 . 8.650 5.025 3.239 6.946 . 0 0 "[ . 1 . 2]" 1
126 1 12 ILE MG 1 91 TYR QE 8.650 . 8.650 4.776 3.247 7.421 . 0 0 "[ . 1 . 2]" 1
127 1 13 ALA H 1 14 ARG H 4.230 . 4.230 2.589 2.377 2.741 . 0 0 "[ . 1 . 2]" 1
128 1 13 ALA H 1 15 GLU H 5.380 . 5.380 4.154 3.956 4.395 . 0 0 "[ . 1 . 2]" 1
129 1 13 ALA H 1 82 ILE MG 6.520 . 6.520 3.891 2.488 4.904 . 0 0 "[ . 1 . 2]" 1
130 1 13 ALA HA 1 15 GLU H 5.160 . 5.160 4.071 3.824 4.286 . 0 0 "[ . 1 . 2]" 1
131 1 13 ALA HA 1 16 TRP H 4.970 . 4.970 4.049 3.780 4.447 . 0 0 "[ . 1 . 2]" 1
132 1 13 ALA HA 1 82 ILE MD 6.460 . 6.460 3.377 2.012 4.856 . 0 0 "[ . 1 . 2]" 1
133 1 13 ALA HA 1 82 ILE QG 6.380 . 6.380 3.421 2.541 4.638 . 0 0 "[ . 1 . 2]" 1
134 1 13 ALA HA 1 82 ILE MG 5.680 . 5.680 3.484 2.332 4.741 . 0 0 "[ . 1 . 2]" 1
135 1 13 ALA HA 1 85 TYR QB 6.380 . 6.380 5.425 4.280 6.190 . 0 0 "[ . 1 . 2]" 1
136 1 13 ALA MB 1 48 ILE MD 7.540 . 7.540 4.854 3.253 6.012 . 0 0 "[ . 1 . 2]" 1
137 1 13 ALA MB 1 82 ILE MD 7.260 . 7.260 2.426 1.855 3.758 . 0 0 "[ . 1 . 2]" 1
138 1 13 ALA MB 1 82 ILE QG 7.400 . 7.400 3.250 2.046 4.294 . 0 0 "[ . 1 . 2]" 1
139 1 13 ALA MB 1 82 ILE MG 7.540 . 7.540 3.218 1.596 4.131 . 0 0 "[ . 1 . 2]" 1
140 1 14 ARG H 1 14 ARG HB2 4.140 . 4.140 2.484 2.057 3.647 . 0 0 "[ . 1 . 2]" 1
141 1 14 ARG H 1 14 ARG HB3 4.140 . 4.140 2.828 2.340 3.615 . 0 0 "[ . 1 . 2]" 1
142 1 14 ARG H 1 14 ARG HG2 5.470 . 5.470 4.023 2.192 4.566 . 0 0 "[ . 1 . 2]" 1
143 1 14 ARG H 1 14 ARG HG3 5.470 . 5.470 4.153 2.331 4.564 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG H 1 15 GLU H 4.110 . 4.110 2.614 2.398 2.802 . 0 0 "[ . 1 . 2]" 1
145 1 14 ARG HA 1 14 ARG HD2 5.500 . 5.500 3.768 2.222 4.811 . 0 0 "[ . 1 . 2]" 1
146 1 14 ARG HA 1 14 ARG HD3 5.500 . 5.500 3.827 1.960 5.531 0.031 2 0 "[ . 1 . 2]" 1
147 1 14 ARG HA 1 17 HIS H 5.100 . 5.100 3.578 3.230 4.202 . 0 0 "[ . 1 . 2]" 1
148 1 14 ARG HA 1 17 HIS HB2 5.500 . 5.500 3.386 1.914 4.861 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG HA 1 17 HIS HB3 5.500 . 5.500 2.351 1.386 3.403 . 0 0 "[ . 1 . 2]" 1
150 1 14 ARG HA 1 18 GLU H 4.910 . 4.910 3.987 3.521 4.683 . 0 0 "[ . 1 . 2]" 1
151 1 14 ARG HB2 1 15 GLU H 3.890 . 3.890 3.664 2.599 4.023 0.133 14 0 "[ . 1 . 2]" 1
152 1 14 ARG HB3 1 15 GLU H 3.890 . 3.890 3.073 2.587 4.009 0.119 2 0 "[ . 1 . 2]" 1
153 1 14 ARG HD2 1 15 GLU H 5.500 . 5.500 5.178 3.985 5.688 0.188 8 0 "[ . 1 . 2]" 1
154 1 14 ARG HD3 1 15 GLU H 5.500 . 5.500 4.967 4.451 5.586 0.086 18 0 "[ . 1 . 2]" 1
155 1 14 ARG HG2 1 15 GLU H 5.500 . 5.500 4.472 2.860 5.421 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG HG3 1 15 GLU H 5.500 . 5.500 4.622 2.433 5.376 . 0 0 "[ . 1 . 2]" 1
157 1 15 GLU H 1 15 GLU HB2 3.980 . 3.980 2.338 2.048 2.557 . 0 0 "[ . 1 . 2]" 1
158 1 15 GLU H 1 15 GLU HB3 3.980 . 3.980 2.808 2.412 3.585 . 0 0 "[ . 1 . 2]" 1
159 1 15 GLU H 1 15 GLU HG2 5.500 . 5.500 4.139 2.150 4.611 . 0 0 "[ . 1 . 2]" 1
160 1 15 GLU H 1 15 GLU QG 5.030 . 5.030 3.733 2.134 4.055 . 0 0 "[ . 1 . 2]" 1
161 1 15 GLU H 1 15 GLU HG3 5.500 . 5.500 4.366 3.596 4.528 . 0 0 "[ . 1 . 2]" 1
162 1 15 GLU H 1 16 TRP H 4.040 . 4.040 2.967 2.774 3.034 . 0 0 "[ . 1 . 2]" 1
163 1 15 GLU HB2 1 16 TRP H 4.010 . 4.010 3.430 2.294 3.800 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLU HB3 1 16 TRP H 4.010 . 4.010 2.371 2.159 3.306 . 0 0 "[ . 1 . 2]" 1
165 1 15 GLU QG 1 16 TRP H 4.470 . 4.470 3.698 3.087 4.225 . 0 0 "[ . 1 . 2]" 1
166 1 15 GLU HG2 1 16 TRP H 4.660 . 4.660 4.443 4.072 4.787 0.127 7 0 "[ . 1 . 2]" 1
167 1 15 GLU HG3 1 16 TRP H 4.660 . 4.660 4.033 3.191 4.774 0.114 1 0 "[ . 1 . 2]" 1
168 1 16 TRP H 1 16 TRP HD1 5.500 . 5.500 2.640 2.396 2.839 . 0 0 "[ . 1 . 2]" 1
169 1 16 TRP H 1 17 HIS H 3.790 . 3.790 2.451 2.373 2.541 . 0 0 "[ . 1 . 2]" 1
170 1 16 TRP QB 1 85 TYR QD 8.510 . 8.510 3.840 2.838 5.062 . 0 0 "[ . 1 . 2]" 1
171 1 16 TRP HB2 1 17 HIS H 5.500 . 5.500 3.853 3.744 4.006 . 0 0 "[ . 1 . 2]" 1
172 1 16 TRP HB3 1 17 HIS H 5.500 . 5.500 4.181 4.065 4.286 . 0 0 "[ . 1 . 2]" 1
173 1 16 TRP HD1 1 17 HIS H 5.500 . 5.500 4.385 4.012 4.738 . 0 0 "[ . 1 . 2]" 1
174 1 16 TRP HD1 1 85 TYR H 5.500 . 5.500 5.417 4.545 5.650 0.150 9 0 "[ . 1 . 2]" 1
175 1 16 TRP HD1 1 85 TYR HB2 5.500 . 5.500 3.664 2.872 4.193 . 0 0 "[ . 1 . 2]" 1
176 1 16 TRP HD1 1 85 TYR HB3 5.500 . 5.500 3.964 2.495 4.983 . 0 0 "[ . 1 . 2]" 1
177 1 16 TRP HE1 1 17 HIS H 5.500 . 5.500 4.916 4.551 5.240 . 0 0 "[ . 1 . 2]" 1
178 1 16 TRP HE1 1 81 ALA MB 5.460 . 5.460 4.703 3.759 5.492 0.032 18 0 "[ . 1 . 2]" 1
179 1 16 TRP HE1 1 85 TYR QB 6.380 . 6.380 4.144 2.794 5.479 . 0 0 "[ . 1 . 2]" 1
180 1 16 TRP HE1 1 85 TYR QD 7.630 . 7.630 4.399 2.827 5.705 . 0 0 "[ . 1 . 2]" 1
181 1 16 TRP HE3 1 17 HIS H 5.500 . 5.500 3.437 3.193 3.655 . 0 0 "[ . 1 . 2]" 1
182 1 16 TRP HH2 1 17 HIS H 5.500 . 5.500 5.610 5.557 5.729 0.229 2 0 "[ . 1 . 2]" 1
183 1 16 TRP HZ2 1 17 HIS H 5.500 . 5.500 5.404 5.208 5.547 0.047 7 0 "[ . 1 . 2]" 1
184 1 16 TRP HZ2 1 81 ALA MB 6.080 . 6.080 4.344 2.859 5.484 . 0 0 "[ . 1 . 2]" 1
185 1 17 HIS H 1 17 HIS HD2 5.500 . 5.500 4.973 4.277 5.371 . 0 0 "[ . 1 . 2]" 1
186 1 17 HIS H 1 18 GLU H 4.320 . 4.320 2.731 2.575 2.940 . 0 0 "[ . 1 . 2]" 1
187 1 17 HIS HB2 1 18 GLU H 4.760 . 4.760 4.059 3.466 4.262 . 0 0 "[ . 1 . 2]" 1
188 1 17 HIS HB3 1 18 GLU H 4.760 . 4.760 3.002 2.660 3.226 . 0 0 "[ . 1 . 2]" 1
189 1 18 GLU H 1 18 GLU HB2 3.760 . 3.760 2.512 2.211 3.619 . 0 0 "[ . 1 . 2]" 1
190 1 18 GLU H 1 18 GLU HB3 3.760 . 3.760 3.130 2.446 3.632 . 0 0 "[ . 1 . 2]" 1
191 1 18 GLU H 1 18 GLU HG2 4.850 . 4.850 3.705 2.138 4.590 . 0 0 "[ . 1 . 2]" 1
192 1 18 GLU H 1 18 GLU HG3 4.850 . 4.850 3.472 1.972 4.552 . 0 0 "[ . 1 . 2]" 1
193 1 18 GLU H 1 19 SER H 4.010 . 4.010 2.693 2.435 2.962 . 0 0 "[ . 1 . 2]" 1
194 1 18 GLU HB2 1 19 SER H 4.820 . 4.820 3.716 3.049 4.223 . 0 0 "[ . 1 . 2]" 1
195 1 18 GLU HB3 1 19 SER H 4.820 . 4.820 3.691 2.463 4.355 . 0 0 "[ . 1 . 2]" 1
196 1 18 GLU HG2 1 19 SER H 5.500 . 5.500 4.795 3.101 5.535 0.035 18 0 "[ . 1 . 2]" 1
197 1 18 GLU HG3 1 19 SER H 5.500 . 5.500 4.686 2.676 5.546 0.046 14 0 "[ . 1 . 2]" 1
198 1 19 SER H 1 19 SER HB2 3.980 . 3.980 2.718 2.390 3.682 . 0 0 "[ . 1 . 2]" 1
199 1 19 SER H 1 19 SER HB3 3.980 . 3.980 3.154 2.507 3.732 . 0 0 "[ . 1 . 2]" 1
200 1 19 SER H 1 20 ASN H 4.260 . 4.260 2.521 2.355 2.821 . 0 0 "[ . 1 . 2]" 1
201 1 19 SER HB2 1 20 ASN H 5.500 . 5.500 3.662 2.713 4.419 . 0 0 "[ . 1 . 2]" 1
202 1 19 SER HB3 1 20 ASN H 5.500 . 5.500 3.860 2.675 4.656 . 0 0 "[ . 1 . 2]" 1
203 1 20 ASN H 1 21 LYS H 5.500 . 5.500 3.708 2.234 4.625 . 0 0 "[ . 1 . 2]" 1
204 1 20 ASN HB2 1 21 LYS H 5.500 . 5.500 3.901 2.300 4.617 . 0 0 "[ . 1 . 2]" 1
205 1 20 ASN HB3 1 21 LYS H 5.500 . 5.500 3.380 1.605 4.543 . 0 0 "[ . 1 . 2]" 1
206 1 21 LYS H 1 21 LYS HD2 5.500 . 5.500 4.908 4.292 5.385 . 0 0 "[ . 1 . 2]" 1
207 1 21 LYS H 1 21 LYS HD3 5.500 . 5.500 4.508 3.238 5.322 . 0 0 "[ . 1 . 2]" 1
208 1 21 LYS H 1 21 LYS HG2 5.500 . 5.500 3.828 1.904 5.328 . 0 0 "[ . 1 . 2]" 1
209 1 21 LYS H 1 21 LYS HG3 5.500 . 5.500 4.415 2.907 5.301 . 0 0 "[ . 1 . 2]" 1
210 1 21 LYS HA 1 21 LYS HD2 5.500 . 5.500 3.573 2.037 5.531 0.031 8 0 "[ . 1 . 2]" 1
211 1 21 LYS HA 1 21 LYS HD3 5.500 . 5.500 3.003 1.705 5.523 0.023 16 0 "[ . 1 . 2]" 1
212 1 21 LYS HA 1 21 LYS HE2 5.500 . 5.500 4.588 3.865 5.528 0.028 12 0 "[ . 1 . 2]" 1
213 1 21 LYS HA 1 21 LYS HE3 5.500 . 5.500 4.680 4.058 5.388 . 0 0 "[ . 1 . 2]" 1
214 1 21 LYS QB 1 21 LYS QD 3.160 . 3.160 2.288 2.114 2.391 . 0 0 "[ . 1 . 2]" 1
215 1 21 LYS HB2 1 21 LYS HD2 4.160 . 4.160 3.490 2.496 3.753 . 0 0 "[ . 1 . 2]" 1
216 1 21 LYS HB2 1 21 LYS HD3 4.160 . 4.160 3.356 2.235 3.862 . 0 0 "[ . 1 . 2]" 1
217 1 21 LYS HB2 1 21 LYS HE2 5.500 . 5.500 4.575 2.893 5.513 0.013 1 0 "[ . 1 . 2]" 1
218 1 21 LYS HB2 1 21 LYS HE3 5.500 . 5.500 4.537 2.034 5.500 . 18 0 "[ . 1 . 2]" 1
219 1 21 LYS HB2 1 22 ARG H 5.040 . 5.040 3.753 2.804 4.517 . 0 0 "[ . 1 . 2]" 1
220 1 21 LYS HB3 1 21 LYS HD2 4.160 . 4.160 2.832 2.282 3.859 . 0 0 "[ . 1 . 2]" 1
221 1 21 LYS HB3 1 21 LYS HD3 4.160 . 4.160 3.081 2.461 3.660 . 0 0 "[ . 1 . 2]" 1
222 1 21 LYS HB3 1 21 LYS HE2 5.500 . 5.500 4.367 1.933 5.450 . 0 0 "[ . 1 . 2]" 1
223 1 21 LYS HB3 1 21 LYS HE3 5.500 . 5.500 4.268 2.789 5.021 . 0 0 "[ . 1 . 2]" 1
224 1 21 LYS HB3 1 22 ARG H 5.040 . 5.040 3.032 1.416 4.258 . 0 0 "[ . 1 . 2]" 1
225 1 21 LYS HD2 1 22 ARG H 4.660 . 4.660 3.939 2.733 4.771 0.111 20 0 "[ . 1 . 2]" 1
226 1 21 LYS HD3 1 22 ARG H 4.660 . 4.660 3.898 2.363 4.838 0.178 20 0 "[ . 1 . 2]" 1
227 1 21 LYS HG2 1 22 ARG H 5.500 . 5.500 4.134 2.216 5.140 . 0 0 "[ . 1 . 2]" 1
228 1 21 LYS HG3 1 22 ARG H 5.500 . 5.500 3.997 1.674 5.606 0.106 3 0 "[ . 1 . 2]" 1
229 1 22 ARG H 1 22 ARG HG2 5.500 . 5.500 4.510 2.881 5.183 . 0 0 "[ . 1 . 2]" 1
230 1 22 ARG H 1 22 ARG HG3 5.500 . 5.500 4.429 2.327 5.200 . 0 0 "[ . 1 . 2]" 1
231 1 22 ARG H 1 23 TRP H 4.350 . 4.350 3.912 1.827 4.495 0.145 5 0 "[ . 1 . 2]" 1
232 1 22 ARG HA 1 22 ARG HD2 5.500 . 5.500 3.810 1.783 5.479 . 0 0 "[ . 1 . 2]" 1
233 1 22 ARG HA 1 22 ARG HD3 5.500 . 5.500 3.867 2.000 4.806 . 0 0 "[ . 1 . 2]" 1
234 1 22 ARG HB2 1 23 TRP H 5.070 . 5.070 4.013 2.863 4.619 . 0 0 "[ . 1 . 2]" 1
235 1 22 ARG HB3 1 23 TRP H 5.070 . 5.070 3.688 2.119 4.471 . 0 0 "[ . 1 . 2]" 1
236 1 22 ARG HD2 1 23 TRP H 5.500 . 5.500 4.379 2.791 5.678 0.178 7 0 "[ . 1 . 2]" 1
237 1 22 ARG HD3 1 23 TRP H 5.500 . 5.500 4.378 2.499 5.553 0.053 2 0 "[ . 1 . 2]" 1
238 1 22 ARG HG2 1 23 TRP H 5.500 . 5.500 3.662 1.719 5.516 0.016 15 0 "[ . 1 . 2]" 1
239 1 22 ARG HG3 1 23 TRP H 5.500 . 5.500 3.710 1.616 5.430 . 0 0 "[ . 1 . 2]" 1
240 1 23 TRP H 1 23 TRP HD1 5.500 . 5.500 4.168 3.175 4.617 . 0 0 "[ . 1 . 2]" 1
241 1 23 TRP H 1 23 TRP HH2 5.500 . 5.500 5.530 5.284 5.681 0.181 3 0 "[ . 1 . 2]" 1
242 1 23 TRP H 1 23 TRP HZ2 5.500 . 5.500 5.423 5.007 5.609 0.109 12 0 "[ . 1 . 2]" 1
243 1 23 TRP HB2 1 24 SER H 5.380 . 5.380 3.680 1.970 4.464 . 0 0 "[ . 1 . 2]" 1
244 1 23 TRP HB3 1 24 SER H 5.380 . 5.380 3.782 2.216 4.409 . 0 0 "[ . 1 . 2]" 1
245 1 24 SER HB2 1 25 GLU H 5.160 . 5.160 4.095 3.126 4.612 . 0 0 "[ . 1 . 2]" 1
246 1 24 SER HB3 1 25 GLU H 5.160 . 5.160 4.036 2.411 4.634 . 0 0 "[ . 1 . 2]" 1
247 1 25 GLU H 1 25 GLU HB2 3.790 . 3.790 2.843 2.088 3.616 . 0 0 "[ . 1 . 2]" 1
248 1 25 GLU H 1 25 GLU HB3 3.790 . 3.790 3.104 2.504 3.619 . 0 0 "[ . 1 . 2]" 1
249 1 25 GLU H 1 25 GLU HG2 5.500 . 5.500 3.206 1.777 4.587 . 0 0 "[ . 1 . 2]" 1
250 1 25 GLU H 1 25 GLU HG3 5.500 . 5.500 3.476 1.733 4.510 . 0 0 "[ . 1 . 2]" 1
251 1 25 GLU H 1 26 ASP H 5.470 . 5.470 2.693 2.517 3.002 . 0 0 "[ . 1 . 2]" 1
252 1 25 GLU HB2 1 26 ASP H 4.320 . 4.320 3.417 2.662 4.030 . 0 0 "[ . 1 . 2]" 1
253 1 25 GLU HB3 1 26 ASP H 4.320 . 4.320 3.700 2.324 4.313 . 0 0 "[ . 1 . 2]" 1
254 1 25 GLU HG2 1 26 ASP H 5.500 . 5.500 4.154 2.312 5.344 . 0 0 "[ . 1 . 2]" 1
255 1 25 GLU HG3 1 26 ASP H 5.500 . 5.500 4.160 1.976 5.525 0.025 16 0 "[ . 1 . 2]" 1
256 1 26 ASP H 1 26 ASP HB2 4.040 . 4.040 2.649 2.372 3.614 . 0 0 "[ . 1 . 2]" 1
257 1 26 ASP H 1 26 ASP HB3 4.040 . 4.040 3.001 2.345 3.618 . 0 0 "[ . 1 . 2]" 1
258 1 26 ASP H 1 27 HIS H 5.070 . 5.070 2.705 2.439 2.882 . 0 0 "[ . 1 . 2]" 1
259 1 26 ASP HB2 1 27 HIS H 4.660 . 4.660 3.310 2.319 4.032 . 0 0 "[ . 1 . 2]" 1
260 1 26 ASP HB3 1 27 HIS H 4.660 . 4.660 3.188 2.375 3.976 . 0 0 "[ . 1 . 2]" 1
261 1 27 HIS H 1 28 ARG H 4.850 . 4.850 2.513 2.387 2.804 . 0 0 "[ . 1 . 2]" 1
262 1 27 HIS HB2 1 28 ARG H 4.420 . 4.420 3.309 2.580 4.203 . 0 0 "[ . 1 . 2]" 1
263 1 27 HIS HB3 1 28 ARG H 4.420 . 4.420 3.696 3.002 4.174 . 0 0 "[ . 1 . 2]" 1
264 1 27 HIS HD2 1 28 ARG H 5.500 . 5.500 4.805 2.495 5.672 0.172 18 0 "[ . 1 . 2]" 1
265 1 28 ARG H 1 28 ARG HB2 4.110 . 4.110 2.735 2.091 3.647 . 0 0 "[ . 1 . 2]" 1
266 1 28 ARG H 1 28 ARG HB3 4.110 . 4.110 2.795 2.200 3.617 . 0 0 "[ . 1 . 2]" 1
267 1 28 ARG H 1 28 ARG HG2 5.500 . 5.500 3.778 2.034 4.602 . 0 0 "[ . 1 . 2]" 1
268 1 28 ARG H 1 28 ARG HG3 5.500 . 5.500 3.818 1.962 4.571 . 0 0 "[ . 1 . 2]" 1
269 1 28 ARG H 1 29 SER H 4.540 . 4.540 2.740 2.476 3.006 . 0 0 "[ . 1 . 2]" 1
270 1 28 ARG HA 1 28 ARG HD2 5.500 . 5.500 3.683 1.927 4.803 . 0 0 "[ . 1 . 2]" 1
271 1 28 ARG HA 1 28 ARG HD3 5.500 . 5.500 3.781 1.806 5.540 0.040 16 0 "[ . 1 . 2]" 1
272 1 28 ARG HB2 1 29 SER H 4.350 . 4.350 3.716 2.481 4.235 . 0 0 "[ . 1 . 2]" 1
273 1 28 ARG HB3 1 29 SER H 4.350 . 4.350 3.272 2.512 4.270 . 0 0 "[ . 1 . 2]" 1
274 1 28 ARG HG2 1 29 SER H 5.500 . 5.500 4.364 2.417 5.465 . 0 0 "[ . 1 . 2]" 1
275 1 28 ARG HG3 1 29 SER H 5.500 . 5.500 4.132 2.424 5.244 . 0 0 "[ . 1 . 2]" 1
276 1 29 SER H 1 29 SER HB2 4.110 . 4.110 2.530 2.423 2.630 . 0 0 "[ . 1 . 2]" 1
277 1 29 SER H 1 29 SER HB3 4.110 . 4.110 3.187 2.556 3.609 . 0 0 "[ . 1 . 2]" 1
278 1 29 SER H 1 30 ARG H 4.510 . 4.510 2.633 2.436 2.853 . 0 0 "[ . 1 . 2]" 1
279 1 29 SER HB2 1 30 ARG H 5.500 . 5.500 3.202 2.479 3.930 . 0 0 "[ . 1 . 2]" 1
280 1 29 SER HB3 1 30 ARG H 5.500 . 5.500 3.362 2.460 3.950 . 0 0 "[ . 1 . 2]" 1
281 1 30 ARG H 1 30 ARG HD2 5.500 . 5.500 4.051 1.971 5.403 . 0 0 "[ . 1 . 2]" 1
282 1 30 ARG H 1 30 ARG HD3 5.500 . 5.500 3.965 1.732 5.252 . 0 0 "[ . 1 . 2]" 1
283 1 30 ARG H 1 31 VAL H 4.200 . 4.200 2.483 2.341 2.823 . 0 0 "[ . 1 . 2]" 1
284 1 30 ARG HA 1 30 ARG HD2 5.500 . 5.500 3.782 1.987 4.827 . 0 0 "[ . 1 . 2]" 1
285 1 30 ARG HA 1 30 ARG HD3 5.500 . 5.500 3.911 1.891 5.519 0.019 13 0 "[ . 1 . 2]" 1
286 1 30 ARG QB 1 31 VAL H 4.370 . 4.370 2.720 2.332 3.567 . 0 0 "[ . 1 . 2]" 1
287 1 30 ARG HB2 1 31 VAL H 4.540 . 4.540 3.197 2.360 4.003 . 0 0 "[ . 1 . 2]" 1
288 1 30 ARG HB3 1 31 VAL H 4.540 . 4.540 3.330 2.406 4.128 . 0 0 "[ . 1 . 2]" 1
289 1 30 ARG HD2 1 31 VAL H 5.500 . 5.500 5.082 4.165 5.607 0.107 11 0 "[ . 1 . 2]" 1
290 1 30 ARG HD3 1 31 VAL H 5.500 . 5.500 4.797 3.195 5.532 0.032 9 0 "[ . 1 . 2]" 1
291 1 30 ARG HG2 1 31 VAL H 5.500 . 5.500 4.283 2.243 5.215 . 0 0 "[ . 1 . 2]" 1
292 1 30 ARG HG3 1 31 VAL H 5.500 . 5.500 4.507 2.512 5.218 . 0 0 "[ . 1 . 2]" 1
293 1 31 VAL H 1 31 VAL HB 4.040 . 4.040 2.815 2.387 3.681 . 0 0 "[ . 1 . 2]" 1
294 1 31 VAL H 1 32 LEU H 4.320 . 4.320 2.584 2.398 2.721 . 0 0 "[ . 1 . 2]" 1
295 1 31 VAL HB 1 32 LEU H 4.970 . 4.970 3.420 2.623 4.216 . 0 0 "[ . 1 . 2]" 1
296 1 31 VAL QG 1 32 LEU HA 8.070 . 8.070 3.477 2.929 3.865 . 0 0 "[ . 1 . 2]" 1
297 1 31 VAL QG 1 34 TYR QD 9.860 . 9.860 3.332 2.290 4.624 . 0 0 "[ . 1 . 2]" 1
298 1 31 VAL QG 1 34 TYR QE 10.200 . 10.200 4.655 3.380 6.021 . 0 0 "[ . 1 . 2]" 1
299 1 31 VAL QG 1 35 LEU HA 8.070 . 8.070 4.701 3.408 6.600 . 0 0 "[ . 1 . 2]" 1
300 1 31 VAL MG1 1 32 LEU H 6.520 . 6.520 3.654 2.743 4.087 . 0 0 "[ . 1 . 2]" 1
301 1 31 VAL MG1 1 34 TYR HB2 6.520 . 6.520 4.428 3.715 5.876 . 0 0 "[ . 1 . 2]" 1
302 1 31 VAL MG2 1 32 LEU H 6.520 . 6.520 3.624 2.616 4.164 . 0 0 "[ . 1 . 2]" 1
303 1 31 VAL MG2 1 34 TYR HB2 6.520 . 6.520 4.933 3.136 6.551 0.031 8 0 "[ . 1 . 2]" 1
304 1 32 LEU H 1 32 LEU HG 5.500 . 5.500 4.345 2.425 4.547 . 0 0 "[ . 1 . 2]" 1
305 1 32 LEU H 1 33 ARG H 4.320 . 4.320 2.764 2.581 2.919 . 0 0 "[ . 1 . 2]" 1
306 1 32 LEU HA 1 35 LEU H 5.280 . 5.280 3.384 3.065 3.788 . 0 0 "[ . 1 . 2]" 1
307 1 32 LEU HA 1 35 LEU QD 7.760 . 7.760 3.134 2.010 4.654 . 0 0 "[ . 1 . 2]" 1
308 1 32 LEU HB2 1 33 ARG H 4.260 . 4.260 3.747 2.843 4.081 . 0 0 "[ . 1 . 2]" 1
309 1 32 LEU HB3 1 33 ARG H 5.070 . 5.070 2.723 2.237 3.627 . 0 0 "[ . 1 . 2]" 1
310 1 32 LEU QD 1 33 ARG HA 8.070 . 8.070 3.829 2.685 5.208 . 0 0 "[ . 1 . 2]" 1
311 1 32 LEU QD 1 36 GLU QB 8.760 . 8.760 4.034 2.685 6.353 . 0 0 "[ . 1 . 2]" 1
312 1 32 LEU QD 1 36 GLU QG 8.020 . 8.020 3.605 2.139 5.047 . 0 0 "[ . 1 . 2]" 1
313 1 32 LEU MD1 1 33 ARG H 6.520 . 6.520 4.485 3.559 4.836 . 0 0 "[ . 1 . 2]" 1
314 1 32 LEU MD1 1 36 GLU HG2 9.610 . 9.610 5.306 2.661 7.647 . 0 0 "[ . 1 . 2]" 1
315 1 32 LEU MD1 1 36 GLU HG3 9.610 . 9.610 5.151 2.222 7.131 . 0 0 "[ . 1 . 2]" 1
316 1 32 LEU MD2 1 33 ARG H 6.520 . 6.520 4.098 3.020 4.778 . 0 0 "[ . 1 . 2]" 1
317 1 32 LEU MD2 1 36 GLU HG2 9.610 . 9.610 4.995 2.925 7.114 . 0 0 "[ . 1 . 2]" 1
318 1 32 LEU MD2 1 36 GLU HG3 9.610 . 9.610 4.777 2.874 7.013 . 0 0 "[ . 1 . 2]" 1
319 1 32 LEU HG 1 33 ARG H 5.500 . 5.500 4.434 3.774 5.213 . 0 0 "[ . 1 . 2]" 1
320 1 32 LEU HG 1 36 GLU QG 6.380 . 6.380 4.645 2.193 6.364 . 0 0 "[ . 1 . 2]" 1
321 1 33 ARG H 1 33 ARG HB2 3.670 . 3.670 2.525 2.098 3.618 . 0 0 "[ . 1 . 2]" 1
322 1 33 ARG H 1 33 ARG HB3 3.670 . 3.670 3.149 2.549 3.633 . 0 0 "[ . 1 . 2]" 1
323 1 33 ARG H 1 33 ARG HD2 5.500 . 5.500 4.073 1.739 5.370 . 0 0 "[ . 1 . 2]" 1
324 1 33 ARG H 1 33 ARG HD3 5.500 . 5.500 4.369 2.450 5.300 . 0 0 "[ . 1 . 2]" 1
325 1 33 ARG H 1 33 ARG HG2 5.500 . 5.500 3.736 2.153 4.540 . 0 0 "[ . 1 . 2]" 1
326 1 33 ARG H 1 33 ARG HG3 5.500 . 5.500 3.507 2.118 4.475 . 0 0 "[ . 1 . 2]" 1
327 1 33 ARG H 1 34 TYR H 3.830 . 3.830 2.632 2.420 2.791 . 0 0 "[ . 1 . 2]" 1
328 1 33 ARG HA 1 33 ARG HD2 5.500 . 5.500 4.089 2.663 5.251 . 0 0 "[ . 1 . 2]" 1
329 1 33 ARG HA 1 33 ARG HD3 5.500 . 5.500 4.021 1.957 5.513 0.013 11 0 "[ . 1 . 2]" 1
330 1 33 ARG HB2 1 34 TYR H 4.110 . 4.110 3.184 2.402 3.958 . 0 0 "[ . 1 . 2]" 1
331 1 33 ARG HB3 1 34 TYR H 4.110 . 4.110 3.260 2.318 4.081 . 0 0 "[ . 1 . 2]" 1
332 1 33 ARG HD2 1 34 TYR H 5.380 . 5.380 4.868 3.782 5.490 0.110 8 0 "[ . 1 . 2]" 1
333 1 33 ARG HD3 1 34 TYR H 5.380 . 5.380 4.851 2.955 5.429 0.049 20 0 "[ . 1 . 2]" 1
334 1 33 ARG HG2 1 34 TYR H 5.500 . 5.500 4.556 2.592 5.236 . 0 0 "[ . 1 . 2]" 1
335 1 33 ARG HG3 1 34 TYR H 5.500 . 5.500 4.454 2.251 5.321 . 0 0 "[ . 1 . 2]" 1
336 1 34 TYR H 1 34 TYR HB2 4.070 . 4.070 2.609 2.261 3.548 . 0 0 "[ . 1 . 2]" 1
337 1 34 TYR H 1 35 LEU H 3.830 . 3.830 2.555 2.320 2.770 . 0 0 "[ . 1 . 2]" 1
338 1 34 TYR H 1 37 LEU QD 8.070 . 8.070 4.991 4.033 6.036 . 0 0 "[ . 1 . 2]" 1
339 1 34 TYR HA 1 37 LEU QB 5.510 . 5.510 3.057 2.377 3.817 . 0 0 "[ . 1 . 2]" 1
340 1 34 TYR HA 1 37 LEU QD 7.940 . 7.940 3.501 2.326 4.071 . 0 0 "[ . 1 . 2]" 1
341 1 34 TYR HA 1 38 TYR QD 7.630 . 7.630 4.552 2.203 6.492 . 0 0 "[ . 1 . 2]" 1
342 1 34 TYR HB2 1 35 LEU H 4.760 . 4.760 3.901 3.760 4.201 . 0 0 "[ . 1 . 2]" 1
343 1 34 TYR HB3 1 35 LEU H 4.940 . 4.940 2.726 2.469 3.945 . 0 0 "[ . 1 . 2]" 1
344 1 34 TYR HB3 1 38 TYR QD 7.630 . 7.630 5.692 4.536 7.023 . 0 0 "[ . 1 . 2]" 1
345 1 34 TYR QD 1 35 LEU H 7.630 . 7.630 3.609 2.657 4.358 . 0 0 "[ . 1 . 2]" 1
346 1 34 TYR QD 1 35 LEU HA 7.630 . 7.630 3.571 3.070 4.241 . 0 0 "[ . 1 . 2]" 1
347 1 34 TYR QD 1 37 LEU HB2 7.630 . 7.630 4.944 3.572 6.473 . 0 0 "[ . 1 . 2]" 1
348 1 34 TYR QD 1 37 LEU HB3 7.630 . 7.630 5.496 3.278 7.105 . 0 0 "[ . 1 . 2]" 1
349 1 34 TYR QD 1 37 LEU QD 10.200 . 10.200 4.542 2.293 6.155 . 0 0 "[ . 1 . 2]" 1
350 1 34 TYR QE 1 35 LEU H 7.630 . 7.630 5.650 3.944 6.370 . 0 0 "[ . 1 . 2]" 1
351 1 34 TYR QE 1 71 VAL MG1 8.650 . 8.650 5.333 2.958 6.830 . 0 0 "[ . 1 . 2]" 1
352 1 34 TYR QE 1 71 VAL MG2 8.650 . 8.650 5.842 4.112 7.453 . 0 0 "[ . 1 . 2]" 1
353 1 34 TYR QE 1 75 LEU QD 10.200 . 10.200 4.532 2.659 6.109 . 0 0 "[ . 1 . 2]" 1
354 1 34 TYR QE 1 75 LEU HG 7.630 . 7.630 6.730 3.153 7.715 0.085 2 0 "[ . 1 . 2]" 1
355 1 35 LEU H 1 35 LEU HG 5.000 . 5.000 3.962 1.852 4.541 . 0 0 "[ . 1 . 2]" 1
356 1 35 LEU H 1 36 GLU H 4.320 . 4.320 2.752 2.539 2.936 . 0 0 "[ . 1 . 2]" 1
357 1 35 LEU HA 1 39 ILE HB 4.230 . 4.230 3.384 2.077 4.290 0.060 3 0 "[ . 1 . 2]" 1
358 1 35 LEU HA 1 39 ILE MD 6.520 . 6.520 4.000 1.496 5.831 . 0 0 "[ . 1 . 2]" 1
359 1 35 LEU HA 1 39 ILE QG 6.380 . 6.380 3.188 1.761 5.985 . 0 0 "[ . 1 . 2]" 1
360 1 35 LEU HA 1 39 ILE MG 6.520 . 6.520 4.408 3.663 5.421 . 0 0 "[ . 1 . 2]" 1
361 1 35 LEU HB2 1 36 GLU H 4.820 . 4.820 3.676 2.534 3.969 . 0 0 "[ . 1 . 2]" 1
362 1 35 LEU HB3 1 36 GLU H 4.820 . 4.820 2.754 2.168 4.330 . 0 0 "[ . 1 . 2]" 1
363 1 35 LEU QD 1 36 GLU QB 8.950 . 8.950 4.136 2.547 5.451 . 0 0 "[ . 1 . 2]" 1
364 1 35 LEU MD1 1 36 GLU H 6.520 . 6.520 3.899 2.337 4.829 . 0 0 "[ . 1 . 2]" 1
365 1 35 LEU MD1 1 40 PHE QD 8.650 . 8.650 4.032 1.566 6.860 . 0 0 "[ . 1 . 2]" 1
366 1 35 LEU MD1 1 40 PHE QE 8.650 . 8.650 3.333 1.919 5.931 . 0 0 "[ . 1 . 2]" 1
367 1 35 LEU MD1 1 40 PHE HZ 6.520 . 6.520 4.383 1.816 6.377 . 0 0 "[ . 1 . 2]" 1
368 1 35 LEU MD2 1 36 GLU H 6.520 . 6.520 4.077 3.073 4.637 . 0 0 "[ . 1 . 2]" 1
369 1 35 LEU MD2 1 40 PHE QD 8.650 . 8.650 4.242 2.532 6.633 . 0 0 "[ . 1 . 2]" 1
370 1 35 LEU MD2 1 40 PHE QE 8.650 . 8.650 3.386 2.082 6.166 . 0 0 "[ . 1 . 2]" 1
371 1 35 LEU MD2 1 40 PHE HZ 6.520 . 6.520 4.568 2.996 6.684 0.164 1 0 "[ . 1 . 2]" 1
372 1 35 LEU HG 1 36 GLU H 5.500 . 5.500 4.049 2.554 4.923 . 0 0 "[ . 1 . 2]" 1
373 1 36 GLU H 1 36 GLU HG2 5.500 . 5.500 3.296 1.861 4.471 . 0 0 "[ . 1 . 2]" 1
374 1 36 GLU H 1 36 GLU HG3 5.500 . 5.500 3.219 2.071 4.548 . 0 0 "[ . 1 . 2]" 1
375 1 36 GLU H 1 37 LEU H 4.350 . 4.350 2.685 2.449 2.918 . 0 0 "[ . 1 . 2]" 1
376 1 36 GLU QB 1 37 LEU H 4.300 . 4.300 2.860 2.394 3.588 . 0 0 "[ . 1 . 2]" 1
377 1 36 GLU QB 1 40 PHE QD 8.510 . 8.510 4.703 2.844 7.226 . 0 0 "[ . 1 . 2]" 1
378 1 36 GLU HB2 1 37 LEU H 4.660 . 4.660 3.321 2.649 4.116 . 0 0 "[ . 1 . 2]" 1
379 1 36 GLU HB3 1 37 LEU H 4.660 . 4.660 3.533 2.418 4.225 . 0 0 "[ . 1 . 2]" 1
380 1 36 GLU HG2 1 37 LEU H 5.500 . 5.500 4.345 3.017 5.145 . 0 0 "[ . 1 . 2]" 1
381 1 36 GLU HG2 1 40 PHE QD 7.630 . 7.630 4.915 2.932 7.165 . 0 0 "[ . 1 . 2]" 1
382 1 36 GLU HG3 1 37 LEU H 5.500 . 5.500 4.350 2.377 5.289 . 0 0 "[ . 1 . 2]" 1
383 1 36 GLU HG3 1 40 PHE QD 7.630 . 7.630 5.376 2.138 7.686 0.056 13 0 "[ . 1 . 2]" 1
384 1 37 LEU H 1 37 LEU HG 5.500 . 5.500 3.674 2.288 4.487 . 0 0 "[ . 1 . 2]" 1
385 1 37 LEU H 1 38 TYR H 4.480 . 4.480 2.467 2.072 2.735 . 0 0 "[ . 1 . 2]" 1
386 1 37 LEU HB2 1 38 TYR H 4.690 . 4.690 3.235 2.583 4.088 . 0 0 "[ . 1 . 2]" 1
387 1 37 LEU HB2 1 38 TYR QE 7.630 . 7.630 5.859 3.243 7.631 0.001 20 0 "[ . 1 . 2]" 1
388 1 37 LEU HB3 1 38 TYR H 4.690 . 4.690 3.450 2.132 4.095 . 0 0 "[ . 1 . 2]" 1
389 1 37 LEU HB3 1 38 TYR QE 7.630 . 7.630 5.476 3.157 7.712 0.082 19 0 "[ . 1 . 2]" 1
390 1 37 LEU QD 1 38 TYR QD 10.200 . 10.200 4.535 2.137 5.836 . 0 0 "[ . 1 . 2]" 1
391 1 37 LEU QD 1 38 TYR QE 10.200 . 10.200 5.227 2.228 7.352 . 0 0 "[ . 1 . 2]" 1
392 1 37 LEU MD1 1 38 TYR H 6.520 . 6.520 4.560 4.108 4.880 . 0 0 "[ . 1 . 2]" 1
393 1 37 LEU MD2 1 38 TYR H 6.520 . 6.520 4.542 3.242 5.384 . 0 0 "[ . 1 . 2]" 1
394 1 37 LEU HG 1 38 TYR H 5.500 . 5.500 4.780 3.961 5.572 0.072 5 0 "[ . 1 . 2]" 1
395 1 38 TYR H 1 39 ILE H 4.140 . 4.140 2.254 1.977 2.511 . 0 0 "[ . 1 . 2]" 1
396 1 38 TYR QB 1 39 ILE QG 7.260 . 7.260 3.304 2.188 5.870 . 0 0 "[ . 1 . 2]" 1
397 1 38 TYR QB 1 63 VAL QG 8.950 . 8.950 4.611 2.900 6.397 . 0 0 "[ . 1 . 2]" 1
398 1 38 TYR QB 1 71 VAL QG 8.950 . 8.950 5.108 2.990 6.675 . 0 0 "[ . 1 . 2]" 1
399 1 38 TYR QB 1 75 LEU QD 6.770 . 6.770 3.971 2.092 5.549 . 0 0 "[ . 1 . 2]" 1
400 1 38 TYR HB2 1 39 ILE H 5.280 . 5.280 3.510 2.466 4.244 . 0 0 "[ . 1 . 2]" 1
401 1 38 TYR HB2 1 39 ILE MD 6.520 . 6.520 4.476 3.305 5.741 . 0 0 "[ . 1 . 2]" 1
402 1 38 TYR HB2 1 75 LEU MD1 8.280 . 8.280 5.737 3.564 7.935 . 0 0 "[ . 1 . 2]" 1
403 1 38 TYR HB2 1 75 LEU MD2 8.280 . 8.280 5.789 2.480 7.881 . 0 0 "[ . 1 . 2]" 1
404 1 38 TYR HB3 1 39 ILE H 5.280 . 5.280 3.329 2.218 4.287 . 0 0 "[ . 1 . 2]" 1
405 1 38 TYR HB3 1 39 ILE MD 6.520 . 6.520 3.696 2.059 5.663 . 0 0 "[ . 1 . 2]" 1
406 1 38 TYR HB3 1 75 LEU MD1 8.280 . 8.280 4.967 2.172 6.510 . 0 0 "[ . 1 . 2]" 1
407 1 38 TYR HB3 1 75 LEU MD2 8.280 . 8.280 5.122 2.993 6.874 . 0 0 "[ . 1 . 2]" 1
408 1 38 TYR QD 1 39 ILE H 7.630 . 7.630 4.224 2.703 5.019 . 0 0 "[ . 1 . 2]" 1
409 1 38 TYR QD 1 39 ILE MD 8.650 . 8.650 3.996 1.917 6.701 . 0 0 "[ . 1 . 2]" 1
410 1 38 TYR QD 1 71 VAL MG1 8.650 . 8.650 5.173 2.552 7.213 . 0 0 "[ . 1 . 2]" 1
411 1 38 TYR QD 1 71 VAL MG2 8.650 . 8.650 5.692 4.392 7.816 . 0 0 "[ . 1 . 2]" 1
412 1 38 TYR QD 1 75 LEU QD 10.200 . 10.200 3.968 1.679 5.744 . 0 0 "[ . 1 . 2]" 1
413 1 38 TYR QE 1 63 VAL QG 10.200 . 10.200 3.610 2.367 6.389 . 0 0 "[ . 1 . 2]" 1
414 1 38 TYR QE 1 71 VAL MG1 8.650 . 8.650 4.883 1.891 7.938 . 0 0 "[ . 1 . 2]" 1
415 1 38 TYR QE 1 71 VAL MG2 8.650 . 8.650 5.217 2.472 8.663 0.013 11 0 "[ . 1 . 2]" 1
416 1 39 ILE H 1 39 ILE HG12 5.500 . 5.500 3.169 2.022 4.893 . 0 0 "[ . 1 . 2]" 1
417 1 39 ILE H 1 39 ILE HG13 5.500 . 5.500 3.717 2.368 4.537 . 0 0 "[ . 1 . 2]" 1
418 1 39 ILE H 1 40 PHE H 3.860 . 3.860 2.776 2.140 4.211 0.351 13 0 "[ . 1 . 2]" 1
419 1 39 ILE HB 1 40 PHE H 4.350 . 4.350 3.304 2.182 4.268 . 0 0 "[ . 1 . 2]" 1
420 1 39 ILE HB 1 40 PHE QD 7.630 . 7.630 3.652 2.482 5.336 . 0 0 "[ . 1 . 2]" 1
421 1 39 ILE MD 1 40 PHE H 6.520 . 6.520 4.465 3.657 5.153 . 0 0 "[ . 1 . 2]" 1
422 1 39 ILE MD 1 75 LEU HA 6.520 . 6.520 4.465 3.015 5.977 . 0 0 "[ . 1 . 2]" 1
423 1 39 ILE HG12 1 40 PHE H 5.500 . 5.500 4.702 3.979 5.339 . 0 0 "[ . 1 . 2]" 1
424 1 39 ILE HG13 1 40 PHE H 5.500 . 5.500 4.856 3.723 5.621 0.121 12 0 "[ . 1 . 2]" 1
425 1 39 ILE MG 1 40 PHE H 6.520 . 6.520 3.185 1.989 3.877 . 0 0 "[ . 1 . 2]" 1
426 1 39 ILE MG 1 40 PHE QB 7.400 . 7.400 3.806 3.199 4.521 . 0 0 "[ . 1 . 2]" 1
427 1 39 ILE MG 1 40 PHE QD 7.900 . 7.900 2.919 1.922 3.691 . 0 0 "[ . 1 . 2]" 1
428 1 39 ILE MG 1 40 PHE QE 8.650 . 8.650 2.996 2.575 3.461 . 0 0 "[ . 1 . 2]" 1
429 1 39 ILE MG 1 40 PHE HZ 6.520 . 6.520 3.633 3.089 5.115 . 0 0 "[ . 1 . 2]" 1
430 1 40 PHE H 1 41 PRO HD2 5.500 . 5.500 3.974 2.721 4.758 . 0 0 "[ . 1 . 2]" 1
431 1 40 PHE H 1 41 PRO HD3 5.500 . 5.500 2.827 1.870 3.420 . 0 0 "[ . 1 . 2]" 1
432 1 40 PHE QB 1 41 PRO HD2 6.380 . 6.380 4.347 3.928 4.725 . 0 0 "[ . 1 . 2]" 1
433 1 40 PHE QE 1 44 GLY QA 8.510 . 8.510 4.445 2.919 5.482 . 0 0 "[ . 1 . 2]" 1
434 1 41 PRO QB 1 60 ILE MD 6.630 . 6.630 4.887 3.930 6.003 . 0 0 "[ . 1 . 2]" 1
435 1 41 PRO HD2 1 42 HIS H 5.500 . 5.500 2.544 1.938 3.082 . 0 0 "[ . 1 . 2]" 1
436 1 41 PRO HD3 1 42 HIS H 5.070 . 5.070 3.873 3.453 4.107 . 0 0 "[ . 1 . 2]" 1
437 1 41 PRO HG2 1 42 HIS H 5.500 . 5.500 2.669 1.878 3.584 . 0 0 "[ . 1 . 2]" 1
438 1 41 PRO HG3 1 42 HIS H 5.500 . 5.500 3.889 3.493 4.314 . 0 0 "[ . 1 . 2]" 1
439 1 42 HIS H 1 42 HIS HB3 3.920 . 3.920 3.028 2.566 3.678 . 0 0 "[ . 1 . 2]" 1
440 1 42 HIS H 1 42 HIS HD2 5.220 . 5.220 4.647 2.913 5.313 0.093 12 0 "[ . 1 . 2]" 1
441 1 42 HIS H 1 43 ILE H 3.700 . 3.700 2.157 2.018 2.357 . 0 0 "[ . 1 . 2]" 1
442 1 42 HIS H 1 43 ILE MG 6.520 . 6.520 3.627 3.297 4.306 . 0 0 "[ . 1 . 2]" 1
443 1 42 HIS H 1 44 GLY H 4.630 . 4.630 4.015 3.285 4.323 . 0 0 "[ . 1 . 2]" 1
444 1 42 HIS HA 1 44 GLY H 4.230 . 4.230 3.805 3.533 4.122 . 0 0 "[ . 1 . 2]" 1
445 1 42 HIS HB2 1 43 ILE H 4.910 . 4.910 3.838 3.063 4.297 . 0 0 "[ . 1 . 2]" 1
446 1 42 HIS HB2 1 43 ILE MG 5.900 . 5.900 3.955 2.875 4.644 . 0 0 "[ . 1 . 2]" 1
447 1 42 HIS HB2 1 59 PRO HB2 5.500 . 5.500 4.427 2.357 5.548 0.048 18 0 "[ . 1 . 2]" 1
448 1 42 HIS HB2 1 59 PRO HB3 5.500 . 5.500 3.579 2.072 5.292 . 0 0 "[ . 1 . 2]" 1
449 1 42 HIS HB3 1 43 ILE H 4.510 . 4.510 3.489 2.657 4.228 . 0 0 "[ . 1 . 2]" 1
450 1 42 HIS HB3 1 43 ILE MG 6.520 . 6.520 3.162 2.543 3.929 . 0 0 "[ . 1 . 2]" 1
451 1 43 ILE H 1 43 ILE HG12 5.500 . 5.500 2.265 1.966 3.506 . 0 0 "[ . 1 . 2]" 1
452 1 43 ILE H 1 43 ILE QG 5.030 . 5.030 1.981 1.621 2.159 . 0 0 "[ . 1 . 2]" 1
453 1 43 ILE H 1 43 ILE HG13 5.500 . 5.500 2.730 1.625 3.102 . 0 0 "[ . 1 . 2]" 1
454 1 43 ILE H 1 44 GLY H 3.920 . 3.920 2.432 2.100 2.868 . 0 0 "[ . 1 . 2]" 1
455 1 43 ILE HB 1 44 GLY H 5.500 . 5.500 4.351 4.149 4.411 . 0 0 "[ . 1 . 2]" 1
456 1 43 ILE HB 1 46 SER QB 6.380 . 6.380 3.789 2.904 5.255 . 0 0 "[ . 1 . 2]" 1
457 1 43 ILE HB 1 51 LEU QD 8.070 . 8.070 4.398 3.328 6.336 . 0 0 "[ . 1 . 2]" 1
458 1 43 ILE HB 1 56 LEU HA 5.500 . 5.500 5.069 4.224 5.552 0.052 15 0 "[ . 1 . 2]" 1
459 1 43 ILE MD 1 44 GLY H 6.520 . 6.520 4.624 3.131 5.020 . 0 0 "[ . 1 . 2]" 1
460 1 43 ILE MD 1 46 SER QB 6.660 . 6.660 4.708 3.785 6.203 . 0 0 "[ . 1 . 2]" 1
461 1 43 ILE MD 1 51 LEU MD1 7.540 . 7.540 4.061 2.849 5.603 . 0 0 "[ . 1 . 2]" 1
462 1 43 ILE MD 1 51 LEU MD2 7.540 . 7.540 4.755 3.757 5.740 . 0 0 "[ . 1 . 2]" 1
463 1 43 ILE MD 1 56 LEU HA 6.300 . 6.300 4.137 2.649 5.604 . 0 0 "[ . 1 . 2]" 1
464 1 43 ILE MD 1 56 LEU QD 8.590 . 8.590 2.297 1.937 3.567 . 0 0 "[ . 1 . 2]" 1
465 1 43 ILE MD 1 56 LEU HG 6.520 . 6.520 3.954 2.014 4.863 . 0 0 "[ . 1 . 2]" 1
466 1 43 ILE MD 1 79 VAL MG1 7.540 . 7.540 4.576 3.237 5.911 . 0 0 "[ . 1 . 2]" 1
467 1 43 ILE MD 1 79 VAL MG2 7.540 . 7.540 4.333 2.861 5.714 . 0 0 "[ . 1 . 2]" 1
468 1 43 ILE QG 1 56 LEU QB 6.320 . 6.320 4.007 3.069 5.588 . 0 0 "[ . 1 . 2]" 1
469 1 43 ILE QG 1 56 LEU HG 6.380 . 6.380 5.649 2.858 6.461 0.081 14 0 "[ . 1 . 2]" 1
470 1 43 ILE QG 1 59 PRO QD 7.270 . 7.270 5.127 3.631 6.215 . 0 0 "[ . 1 . 2]" 1
471 1 43 ILE HG12 1 44 GLY H 5.500 . 5.500 4.048 3.254 5.279 . 0 0 "[ . 1 . 2]" 1
472 1 43 ILE HG12 1 56 LEU HB2 7.260 . 7.260 4.551 3.151 7.074 . 0 0 "[ . 1 . 2]" 1
473 1 43 ILE HG12 1 56 LEU HB3 7.260 . 7.260 5.607 4.559 7.185 . 0 0 "[ . 1 . 2]" 1
474 1 43 ILE HG13 1 44 GLY H 5.500 . 5.500 3.582 3.010 3.950 . 0 0 "[ . 1 . 2]" 1
475 1 43 ILE HG13 1 56 LEU HB2 7.260 . 7.260 5.145 4.271 7.298 0.038 20 0 "[ . 1 . 2]" 1
476 1 43 ILE HG13 1 56 LEU HB3 7.260 . 7.260 6.062 5.166 7.288 0.028 17 0 "[ . 1 . 2]" 1
477 1 43 ILE MG 1 44 GLY H 6.520 . 6.520 4.299 4.058 4.418 . 0 0 "[ . 1 . 2]" 1
478 1 43 ILE MG 1 46 SER H 6.520 . 6.520 5.402 4.958 6.283 . 0 0 "[ . 1 . 2]" 1
479 1 43 ILE MG 1 56 LEU HA 6.520 . 6.520 2.735 1.968 3.470 . 0 0 "[ . 1 . 2]" 1
480 1 43 ILE MG 1 56 LEU QB 7.400 . 7.400 2.239 1.498 4.718 . 0 0 "[ . 1 . 2]" 1
481 1 43 ILE MG 1 56 LEU HG 5.710 . 5.710 4.039 2.667 4.684 . 0 0 "[ . 1 . 2]" 1
482 1 43 ILE MG 1 58 ALA MB 7.540 . 7.540 5.140 4.264 5.933 . 0 0 "[ . 1 . 2]" 1
483 1 43 ILE MG 1 59 PRO QD 7.410 . 7.410 3.605 2.860 4.442 . 0 0 "[ . 1 . 2]" 1
484 1 43 ILE MG 1 59 PRO HG2 6.520 . 6.520 2.946 1.808 3.987 . 0 0 "[ . 1 . 2]" 1
485 1 43 ILE MG 1 59 PRO HG3 6.520 . 6.520 3.610 1.950 5.310 . 0 0 "[ . 1 . 2]" 1
486 1 44 GLY H 1 45 SER H 4.660 . 4.660 2.684 2.456 3.072 . 0 0 "[ . 1 . 2]" 1
487 1 45 SER H 1 46 SER H 4.070 . 4.070 2.430 1.988 2.644 . 0 0 "[ . 1 . 2]" 1
488 1 45 SER HB2 1 46 SER H 5.380 . 5.380 4.045 3.522 4.440 . 0 0 "[ . 1 . 2]" 1
489 1 45 SER HB3 1 46 SER H 5.380 . 5.380 4.261 3.344 4.532 . 0 0 "[ . 1 . 2]" 1
490 1 46 SER H 1 47 ASP H 5.410 . 5.410 4.473 4.154 4.594 . 0 0 "[ . 1 . 2]" 1
491 1 46 SER H 1 51 LEU QD 8.070 . 8.070 5.180 3.829 7.273 . 0 0 "[ . 1 . 2]" 1
492 1 46 SER QB 1 51 LEU HA 6.380 . 6.380 3.504 2.257 4.839 . 0 0 "[ . 1 . 2]" 1
493 1 46 SER QB 1 51 LEU QD 6.070 . 6.070 2.980 2.070 4.682 . 0 0 "[ . 1 . 2]" 1
494 1 46 SER HB2 1 47 ASP H 5.500 . 5.500 3.969 3.374 4.368 . 0 0 "[ . 1 . 2]" 1
495 1 46 SER HB2 1 51 LEU MD1 6.520 . 6.520 4.149 2.323 6.537 0.017 7 0 "[ . 1 . 2]" 1
496 1 46 SER HB2 1 51 LEU MD2 6.520 . 6.520 4.644 2.652 6.321 . 0 0 "[ . 1 . 2]" 1
497 1 46 SER HB3 1 47 ASP H 5.500 . 5.500 3.062 2.311 3.770 . 0 0 "[ . 1 . 2]" 1
498 1 46 SER HB3 1 51 LEU MD1 6.520 . 6.520 4.080 2.270 6.017 . 0 0 "[ . 1 . 2]" 1
499 1 46 SER HB3 1 51 LEU MD2 6.520 . 6.520 4.541 2.935 6.541 0.021 5 0 "[ . 1 . 2]" 1
500 1 47 ASP H 1 47 ASP HB2 3.920 . 3.920 2.713 2.175 3.678 . 0 0 "[ . 1 . 2]" 1
501 1 47 ASP H 1 47 ASP HB3 3.920 . 3.920 2.691 2.321 3.648 . 0 0 "[ . 1 . 2]" 1
502 1 47 ASP H 1 48 ILE H 5.500 . 5.500 4.570 4.495 4.627 . 0 0 "[ . 1 . 2]" 1
503 1 47 ASP HB2 1 48 ILE H 5.500 . 5.500 3.834 2.337 4.315 . 0 0 "[ . 1 . 2]" 1
504 1 47 ASP HB3 1 48 ILE H 5.500 . 5.500 3.538 2.375 4.065 . 0 0 "[ . 1 . 2]" 1
505 1 48 ILE H 1 48 ILE HG12 5.500 . 5.500 4.384 2.248 4.669 . 0 0 "[ . 1 . 2]" 1
506 1 48 ILE H 1 48 ILE HG13 5.500 . 5.500 4.434 3.670 4.572 . 0 0 "[ . 1 . 2]" 1
507 1 48 ILE H 1 49 ARG H 5.280 . 5.280 2.576 2.361 2.791 . 0 0 "[ . 1 . 2]" 1
508 1 48 ILE HA 1 51 LEU H 5.070 . 5.070 4.664 3.123 5.133 0.063 1 0 "[ . 1 . 2]" 1
509 1 48 ILE HA 1 51 LEU QD 7.110 . 7.110 2.621 1.882 3.513 . 0 0 "[ . 1 . 2]" 1
510 1 48 ILE HA 1 92 ILE MG 6.520 . 6.520 4.925 3.984 6.536 0.016 3 0 "[ . 1 . 2]" 1
511 1 48 ILE HB 1 49 ARG H 4.940 . 4.940 4.067 2.861 4.250 . 0 0 "[ . 1 . 2]" 1
512 1 48 ILE HB 1 82 ILE MG 6.520 . 6.520 4.777 3.825 6.511 . 0 0 "[ . 1 . 2]" 1
513 1 48 ILE MD 1 49 ARG H 6.520 . 6.520 4.865 4.489 5.192 . 0 0 "[ . 1 . 2]" 1
514 1 48 ILE MD 1 82 ILE MG 7.540 . 7.540 2.614 1.871 3.934 . 0 0 "[ . 1 . 2]" 1
515 1 48 ILE MD 1 83 MET HA 6.520 . 6.520 4.296 2.288 6.013 . 0 0 "[ . 1 . 2]" 1
516 1 48 ILE MD 1 83 MET ME 7.540 . 7.540 3.952 2.070 6.208 . 0 0 "[ . 1 . 2]" 1
517 1 48 ILE MD 1 86 ALA H 6.520 . 6.520 4.717 3.494 6.025 . 0 0 "[ . 1 . 2]" 1
518 1 48 ILE MD 1 86 ALA MB 7.540 . 7.540 2.790 1.836 3.864 . 0 0 "[ . 1 . 2]" 1
519 1 48 ILE MD 1 91 TYR QB 7.400 . 7.400 5.126 2.205 7.237 . 0 0 "[ . 1 . 2]" 1
520 1 48 ILE MD 1 91 TYR QD 8.650 . 8.650 4.908 2.659 6.645 . 0 0 "[ . 1 . 2]" 1
521 1 48 ILE QG 1 82 ILE MG 7.400 . 7.400 3.525 2.328 5.292 . 0 0 "[ . 1 . 2]" 1
522 1 48 ILE HG12 1 49 ARG H 5.500 . 5.500 4.271 3.684 5.220 . 0 0 "[ . 1 . 2]" 1
523 1 48 ILE HG13 1 49 ARG H 5.500 . 5.500 4.877 4.142 5.195 . 0 0 "[ . 1 . 2]" 1
524 1 48 ILE MG 1 49 ARG H 6.520 . 6.520 2.495 2.100 3.420 . 0 0 "[ . 1 . 2]" 1
525 1 48 ILE MG 1 51 LEU QD 9.090 . 9.090 4.567 3.729 5.356 . 0 0 "[ . 1 . 2]" 1
526 1 48 ILE MG 1 83 MET ME 7.540 . 7.540 5.155 2.036 7.150 . 0 0 "[ . 1 . 2]" 1
527 1 48 ILE MG 1 91 TYR QB 7.400 . 7.400 4.543 2.185 6.520 . 0 0 "[ . 1 . 2]" 1
528 1 49 ARG H 1 49 ARG HG2 5.500 . 5.500 3.542 1.845 4.538 . 0 0 "[ . 1 . 2]" 1
529 1 49 ARG H 1 49 ARG HG3 5.500 . 5.500 3.419 1.783 4.562 . 0 0 "[ . 1 . 2]" 1
530 1 49 ARG H 1 50 GLN H 4.110 . 4.110 2.531 2.275 2.830 . 0 0 "[ . 1 . 2]" 1
531 1 49 ARG H 1 51 LEU H 5.500 . 5.500 5.320 3.991 5.527 0.027 11 0 "[ . 1 . 2]" 1
532 1 49 ARG HA 1 49 ARG HD2 5.500 . 5.500 4.529 2.515 5.529 0.029 10 0 "[ . 1 . 2]" 1
533 1 49 ARG HA 1 49 ARG HD3 5.500 . 5.500 4.577 3.763 4.806 . 0 0 "[ . 1 . 2]" 1
534 1 49 ARG HA 1 92 ILE MG 4.780 . 4.780 2.540 1.288 4.377 . 0 0 "[ . 1 . 2]" 1
535 1 49 ARG HB2 1 50 GLN H 5.190 . 5.190 3.864 2.796 4.354 . 0 0 "[ . 1 . 2]" 1
536 1 49 ARG HB2 1 92 ILE MG 6.520 . 6.520 4.393 2.847 6.035 . 0 0 "[ . 1 . 2]" 1
537 1 49 ARG HB3 1 50 GLN H 5.190 . 5.190 3.731 2.519 4.502 . 0 0 "[ . 1 . 2]" 1
538 1 49 ARG HB3 1 92 ILE MG 6.520 . 6.520 4.432 2.852 6.366 . 0 0 "[ . 1 . 2]" 1
539 1 50 GLN H 1 50 GLN QE 5.490 . 5.490 4.653 2.610 4.912 . 0 0 "[ . 1 . 2]" 1
540 1 50 GLN H 1 50 GLN HG2 4.970 . 4.970 4.743 2.458 5.142 0.172 19 0 "[ . 1 . 2]" 1
541 1 50 GLN H 1 50 GLN HG3 4.970 . 4.970 4.545 3.883 5.047 0.077 3 0 "[ . 1 . 2]" 1
542 1 50 GLN H 1 51 LEU H 3.610 . 3.610 3.296 1.955 3.603 . 0 0 "[ . 1 . 2]" 1
543 1 50 GLN H 1 51 LEU HB2 4.510 . 4.510 4.459 4.039 4.649 0.139 18 0 "[ . 1 . 2]" 1
544 1 50 GLN H 1 51 LEU QD 8.070 . 8.070 4.224 2.957 5.053 . 0 0 "[ . 1 . 2]" 1
545 1 50 GLN H 1 92 ILE MG 6.520 . 6.520 4.493 3.841 5.100 . 0 0 "[ . 1 . 2]" 1
546 1 50 GLN HA 1 50 GLN HE21 5.500 . 5.500 2.641 1.339 5.018 . 0 0 "[ . 1 . 2]" 1
547 1 50 GLN HA 1 50 GLN HE22 5.500 . 5.500 3.428 3.020 5.425 . 0 0 "[ . 1 . 2]" 1
548 1 50 GLN HB2 1 50 GLN HE22 5.500 . 5.500 4.596 4.211 5.309 . 0 0 "[ . 1 . 2]" 1
549 1 50 GLN HB2 1 51 LEU H 5.500 . 5.500 4.566 4.269 4.641 . 0 0 "[ . 1 . 2]" 1
550 1 50 GLN HB3 1 50 GLN HE22 5.500 . 5.500 4.887 3.618 5.121 . 0 0 "[ . 1 . 2]" 1
551 1 50 GLN HB3 1 51 LEU H 5.500 . 5.500 4.412 4.008 4.597 . 0 0 "[ . 1 . 2]" 1
552 1 50 GLN QE 1 51 LEU H 4.000 . 4.000 3.236 2.991 4.182 0.182 12 0 "[ . 1 . 2]" 1
553 1 50 GLN HG2 1 51 LEU H 5.500 . 5.500 5.225 3.596 5.598 0.098 16 0 "[ . 1 . 2]" 1
554 1 50 GLN HG3 1 51 LEU H 5.500 . 5.500 4.573 4.085 5.766 0.266 13 0 "[ . 1 . 2]" 1
555 1 51 LEU H 1 51 LEU HB2 3.830 . 3.830 2.406 2.128 2.763 . 0 0 "[ . 1 . 2]" 1
556 1 51 LEU H 1 51 LEU HG 5.500 . 5.500 4.418 2.655 4.645 . 0 0 "[ . 1 . 2]" 1
557 1 51 LEU HB3 1 79 VAL QG 8.010 . 8.010 5.065 4.130 6.023 . 0 0 "[ . 1 . 2]" 1
558 1 51 LEU QD 1 52 LYS H 8.070 . 8.070 2.212 1.520 3.107 . 0 0 "[ . 1 . 2]" 1
559 1 51 LEU QD 1 52 LYS QD 8.020 . 8.020 4.416 3.084 5.355 . 0 0 "[ . 1 . 2]" 1
560 1 51 LEU QD 1 52 LYS QE 8.950 . 8.950 4.937 3.999 5.822 . 0 0 "[ . 1 . 2]" 1
561 1 51 LEU QD 1 56 LEU QD 10.630 . 10.630 2.335 1.862 2.879 . 0 0 "[ . 1 . 2]" 1
562 1 51 LEU QD 1 82 ILE MG 9.090 . 9.090 4.316 2.988 5.033 . 0 0 "[ . 1 . 2]" 1
563 1 51 LEU MD1 1 52 LYS HD2 9.610 . 9.610 5.348 3.159 7.318 . 0 0 "[ . 1 . 2]" 1
564 1 51 LEU MD1 1 52 LYS HD3 9.610 . 9.610 5.655 3.564 8.256 . 0 0 "[ . 1 . 2]" 1
565 1 51 LEU MD1 1 83 MET ME 7.540 . 7.540 3.599 2.417 4.411 . 0 0 "[ . 1 . 2]" 1
566 1 51 LEU MD2 1 52 LYS HD2 9.610 . 9.610 6.346 4.547 7.689 . 0 0 "[ . 1 . 2]" 1
567 1 51 LEU MD2 1 52 LYS HD3 9.610 . 9.610 6.606 5.294 7.960 . 0 0 "[ . 1 . 2]" 1
568 1 51 LEU MD2 1 83 MET ME 7.540 . 7.540 2.928 1.599 4.782 . 0 0 "[ . 1 . 2]" 1
569 1 51 LEU HG 1 52 LYS H 5.500 . 5.500 3.363 1.773 4.655 . 0 0 "[ . 1 . 2]" 1
570 1 52 LYS H 1 52 LYS HD2 5.500 . 5.500 4.071 2.087 5.141 . 0 0 "[ . 1 . 2]" 1
571 1 52 LYS H 1 52 LYS HD3 5.500 . 5.500 4.327 2.598 5.383 . 0 0 "[ . 1 . 2]" 1
572 1 52 LYS H 1 52 LYS HG2 5.500 . 5.500 3.610 2.254 4.437 . 0 0 "[ . 1 . 2]" 1
573 1 52 LYS H 1 52 LYS HG3 5.500 . 5.500 3.305 2.446 4.466 . 0 0 "[ . 1 . 2]" 1
574 1 52 LYS H 1 53 THR H 5.500 . 5.500 4.494 4.408 4.595 . 0 0 "[ . 1 . 2]" 1
575 1 52 LYS HA 1 52 LYS HD2 5.500 . 5.500 3.891 2.788 4.698 . 0 0 "[ . 1 . 2]" 1
576 1 52 LYS HA 1 52 LYS HD3 5.500 . 5.500 3.665 1.988 4.706 . 0 0 "[ . 1 . 2]" 1
577 1 52 LYS HA 1 52 LYS HE2 5.470 . 5.470 4.891 4.237 5.387 . 0 0 "[ . 1 . 2]" 1
578 1 52 LYS HA 1 52 LYS HE3 5.470 . 5.470 5.000 4.279 5.439 . 0 0 "[ . 1 . 2]" 1
579 1 52 LYS HA 1 53 THR H 3.360 . 3.360 2.467 2.302 2.561 . 0 0 "[ . 1 . 2]" 1
580 1 52 LYS HB2 1 52 LYS HE2 5.500 . 5.500 4.761 4.314 5.509 0.009 14 0 "[ . 1 . 2]" 1
581 1 52 LYS HB2 1 52 LYS HE3 5.500 . 5.500 4.465 4.248 4.875 . 0 0 "[ . 1 . 2]" 1
582 1 52 LYS HB2 1 53 THR H 4.010 . 4.010 3.469 3.308 3.770 . 0 0 "[ . 1 . 2]" 1
583 1 52 LYS HB2 1 55 HIS H 5.380 . 5.380 5.073 4.657 5.424 0.044 18 0 "[ . 1 . 2]" 1
584 1 52 LYS HB3 1 52 LYS HE2 5.500 . 5.500 4.578 4.182 5.502 0.002 5 0 "[ . 1 . 2]" 1
585 1 52 LYS HB3 1 52 LYS HE3 5.500 . 5.500 4.629 4.235 4.819 . 0 0 "[ . 1 . 2]" 1
586 1 52 LYS HB3 1 53 THR H 4.290 . 4.290 2.236 2.063 2.574 . 0 0 "[ . 1 . 2]" 1
587 1 52 LYS HB3 1 55 HIS H 4.480 . 4.480 4.427 4.190 4.614 0.134 10 0 "[ . 1 . 2]" 1
588 1 52 LYS HB3 1 56 LEU H 5.070 . 5.070 4.315 3.423 5.110 0.040 19 0 "[ . 1 . 2]" 1
589 1 52 LYS QD 1 56 LEU QD 8.020 . 8.020 4.058 1.995 5.712 . 0 0 "[ . 1 . 2]" 1
590 1 52 LYS HD2 1 53 THR H 5.500 . 5.500 4.820 3.272 5.516 0.016 3 0 "[ . 1 . 2]" 1
591 1 52 LYS HD2 1 56 LEU MD1 9.610 . 9.610 6.296 2.020 9.144 . 0 0 "[ . 1 . 2]" 1
592 1 52 LYS HD2 1 56 LEU MD2 9.610 . 9.610 4.898 3.100 6.710 . 0 0 "[ . 1 . 2]" 1
593 1 52 LYS HD3 1 53 THR H 5.500 . 5.500 4.568 3.753 5.541 0.041 5 0 "[ . 1 . 2]" 1
594 1 52 LYS HD3 1 56 LEU MD1 9.610 . 9.610 6.621 3.262 8.878 . 0 0 "[ . 1 . 2]" 1
595 1 52 LYS HD3 1 56 LEU MD2 9.610 . 9.610 5.242 3.105 6.731 . 0 0 "[ . 1 . 2]" 1
596 1 52 LYS QG 1 53 THR H 5.260 . 5.260 3.856 3.520 4.372 . 0 0 "[ . 1 . 2]" 1
597 1 52 LYS HG2 1 53 THR H 5.500 . 5.500 4.249 3.698 4.981 . 0 0 "[ . 1 . 2]" 1
598 1 52 LYS HG3 1 53 THR H 5.500 . 5.500 4.553 3.759 4.861 . 0 0 "[ . 1 . 2]" 1
599 1 53 THR H 1 53 THR HB 3.980 . 3.980 3.102 2.744 3.548 . 0 0 "[ . 1 . 2]" 1
600 1 53 THR H 1 54 SER H 4.760 . 4.760 4.366 4.284 4.517 . 0 0 "[ . 1 . 2]" 1
601 1 53 THR H 1 96 PRO HB2 5.500 . 5.500 4.772 3.673 5.540 0.040 8 0 "[ . 1 . 2]" 1
602 1 53 THR H 1 96 PRO HB3 5.500 . 5.500 4.478 3.450 5.532 0.032 7 0 "[ . 1 . 2]" 1
603 1 53 THR H 1 96 PRO QG 6.390 . 6.390 5.381 3.984 6.404 0.014 14 0 "[ . 1 . 2]" 1
604 1 53 THR HB 1 54 SER H 4.010 . 4.010 2.092 1.535 2.886 . 0 0 "[ . 1 . 2]" 1
605 1 53 THR MG 1 54 SER H 6.520 . 6.520 2.105 1.323 3.251 . 0 0 "[ . 1 . 2]" 1
606 1 53 THR MG 1 96 PRO HB2 6.520 . 6.520 3.967 2.429 5.424 . 0 0 "[ . 1 . 2]" 1
607 1 53 THR MG 1 97 ALA H 6.520 . 6.520 4.165 2.289 5.623 . 0 0 "[ . 1 . 2]" 1
608 1 53 THR MG 1 97 ALA HA 6.020 . 6.020 4.283 3.014 5.785 . 0 0 "[ . 1 . 2]" 1
609 1 53 THR MG 1 99 ASP HB2 6.520 . 6.520 5.426 2.987 6.578 0.058 17 0 "[ . 1 . 2]" 1
610 1 53 THR MG 1 99 ASP QB 6.160 . 6.160 4.289 2.432 5.313 . 0 0 "[ . 1 . 2]" 1
611 1 53 THR MG 1 99 ASP HB3 6.520 . 6.520 4.556 2.575 6.139 . 0 0 "[ . 1 . 2]" 1
612 1 53 THR MG 1 100 MET H 6.520 . 6.520 5.458 4.284 6.577 0.057 19 0 "[ . 1 . 2]" 1
613 1 53 THR MG 1 100 MET HA 6.520 . 6.520 5.362 3.576 6.603 0.083 13 0 "[ . 1 . 2]" 1
614 1 53 THR MG 1 100 MET QB 7.400 . 7.400 4.918 3.615 6.336 . 0 0 "[ . 1 . 2]" 1
615 1 53 THR MG 1 100 MET HG2 6.520 . 6.520 5.603 4.220 6.631 0.111 4 0 "[ . 1 . 2]" 1
616 1 53 THR MG 1 100 MET HG3 6.520 . 6.520 5.522 4.423 6.585 0.065 17 0 "[ . 1 . 2]" 1
617 1 54 SER H 1 55 HIS H 4.350 . 4.350 2.935 2.828 3.050 . 0 0 "[ . 1 . 2]" 1
618 1 54 SER QB 1 57 LEU HB3 6.380 . 6.380 3.319 2.667 4.194 . 0 0 "[ . 1 . 2]" 1
619 1 54 SER QB 1 57 LEU QD 8.950 . 8.950 3.085 2.510 3.951 . 0 0 "[ . 1 . 2]" 1
620 1 54 SER QB 1 57 LEU HG 6.380 . 6.380 5.179 4.605 6.187 . 0 0 "[ . 1 . 2]" 1
621 1 54 SER HB2 1 55 HIS H 4.970 . 4.970 3.660 3.145 4.316 . 0 0 "[ . 1 . 2]" 1
622 1 54 SER HB2 1 100 MET ME 6.520 . 6.520 5.629 4.014 6.551 0.031 3 0 "[ . 1 . 2]" 1
623 1 54 SER HB3 1 55 HIS H 4.970 . 4.970 4.413 4.206 4.680 . 0 0 "[ . 1 . 2]" 1
624 1 54 SER HB3 1 100 MET ME 6.520 . 6.520 4.553 3.292 5.395 . 0 0 "[ . 1 . 2]" 1
625 1 55 HIS H 1 55 HIS HD2 2.990 . 2.990 2.435 2.108 2.927 . 0 0 "[ . 1 . 2]" 1
626 1 55 HIS H 1 56 LEU H 3.860 . 3.860 2.504 2.325 2.722 . 0 0 "[ . 1 . 2]" 1
627 1 55 HIS H 1 56 LEU QD 8.070 . 8.070 4.258 3.422 5.300 . 0 0 "[ . 1 . 2]" 1
628 1 55 HIS H 1 57 LEU H 5.130 . 5.130 3.979 3.737 4.329 . 0 0 "[ . 1 . 2]" 1
629 1 55 HIS H 1 100 MET ME 6.520 . 6.520 5.878 4.166 6.565 0.045 13 0 "[ . 1 . 2]" 1
630 1 55 HIS HA 1 56 LEU QD 8.070 . 8.070 5.188 4.440 5.837 . 0 0 "[ . 1 . 2]" 1
631 1 55 HIS HB2 1 56 LEU H 5.380 . 5.380 3.030 2.733 4.205 . 0 0 "[ . 1 . 2]" 1
632 1 55 HIS HB3 1 56 LEU H 5.380 . 5.380 3.912 3.781 4.130 . 0 0 "[ . 1 . 2]" 1
633 1 55 HIS HD2 1 56 LEU H 4.380 . 4.380 4.362 3.439 4.483 0.103 14 0 "[ . 1 . 2]" 1
634 1 56 LEU H 1 56 LEU HG 4.570 . 4.570 2.740 1.843 4.496 . 0 0 "[ . 1 . 2]" 1
635 1 56 LEU H 1 57 LEU H 3.890 . 3.890 2.556 2.426 2.670 . 0 0 "[ . 1 . 2]" 1
636 1 56 LEU QB 1 57 LEU H 4.420 . 4.420 3.636 3.002 3.767 . 0 0 "[ . 1 . 2]" 1
637 1 56 LEU QB 1 79 VAL QG 7.080 . 7.080 4.829 3.938 5.600 . 0 0 "[ . 1 . 2]" 1
638 1 56 LEU QB 1 100 MET ME 6.590 . 6.590 4.312 2.009 5.477 . 0 0 "[ . 1 . 2]" 1
639 1 56 LEU HB2 1 57 LEU H 4.720 . 4.720 4.153 3.793 4.420 . 0 0 "[ . 1 . 2]" 1
640 1 56 LEU HB2 1 79 VAL MG1 8.280 . 8.280 5.960 4.669 6.799 . 0 0 "[ . 1 . 2]" 1
641 1 56 LEU HB2 1 79 VAL MG2 8.280 . 8.280 6.035 4.955 7.358 . 0 0 "[ . 1 . 2]" 1
642 1 56 LEU HB3 1 57 LEU H 4.720 . 4.720 4.074 3.095 4.385 . 0 0 "[ . 1 . 2]" 1
643 1 56 LEU HB3 1 79 VAL MG1 8.280 . 8.280 6.245 4.516 7.201 . 0 0 "[ . 1 . 2]" 1
644 1 56 LEU HB3 1 79 VAL MG2 8.280 . 8.280 6.481 4.806 7.857 . 0 0 "[ . 1 . 2]" 1
645 1 56 LEU QD 1 57 LEU H 5.940 . 5.940 2.800 2.083 4.330 . 0 0 "[ . 1 . 2]" 1
646 1 56 LEU QD 1 79 VAL QG 8.380 . 8.380 2.809 2.244 3.448 . 0 0 "[ . 1 . 2]" 1
647 1 56 LEU QD 1 100 MET ME 8.930 . 8.930 2.170 1.626 3.250 . 0 0 "[ . 1 . 2]" 1
648 1 56 LEU QD 1 100 MET QG 8.020 . 8.020 3.488 1.867 4.919 . 0 0 "[ . 1 . 2]" 1
649 1 56 LEU MD1 1 57 LEU H 6.520 . 6.520 3.385 2.508 4.933 . 0 0 "[ . 1 . 2]" 1
650 1 56 LEU MD1 1 79 VAL MG1 10.130 . 10.130 3.588 2.332 5.898 . 0 0 "[ . 1 . 2]" 1
651 1 56 LEU MD1 1 79 VAL MG2 10.130 . 10.130 3.728 2.505 6.241 . 0 0 "[ . 1 . 2]" 1
652 1 56 LEU MD1 1 97 ALA MB 7.540 . 7.540 4.477 2.593 6.338 . 0 0 "[ . 1 . 2]" 1
653 1 56 LEU MD1 1 100 MET HG2 9.610 . 9.610 4.606 2.755 7.102 . 0 0 "[ . 1 . 2]" 1
654 1 56 LEU MD1 1 100 MET HG3 9.610 . 9.610 4.849 1.897 7.300 . 0 0 "[ . 1 . 2]" 1
655 1 56 LEU MD2 1 57 LEU H 6.520 . 6.520 4.095 2.086 4.794 . 0 0 "[ . 1 . 2]" 1
656 1 56 LEU MD2 1 79 VAL MG1 10.130 . 10.130 3.793 2.291 5.628 . 0 0 "[ . 1 . 2]" 1
657 1 56 LEU MD2 1 79 VAL MG2 10.130 . 10.130 4.084 3.317 5.111 . 0 0 "[ . 1 . 2]" 1
658 1 56 LEU MD2 1 97 ALA MB 7.540 . 7.540 4.085 2.679 5.880 . 0 0 "[ . 1 . 2]" 1
659 1 56 LEU MD2 1 100 MET HG2 9.610 . 9.610 4.897 2.405 7.481 . 0 0 "[ . 1 . 2]" 1
660 1 56 LEU MD2 1 100 MET HG3 9.610 . 9.610 5.015 2.014 6.852 . 0 0 "[ . 1 . 2]" 1
661 1 56 LEU HG 1 57 LEU H 5.500 . 5.500 3.436 2.860 5.570 0.070 15 0 "[ . 1 . 2]" 1
662 1 56 LEU HG 1 79 VAL MG1 6.520 . 6.520 5.338 4.377 6.573 0.053 11 0 "[ . 1 . 2]" 1
663 1 56 LEU HG 1 79 VAL MG2 6.520 . 6.520 5.558 3.941 6.577 0.057 8 0 "[ . 1 . 2]" 1
664 1 57 LEU H 1 57 LEU HB2 3.790 . 3.790 2.620 2.505 2.756 . 0 0 "[ . 1 . 2]" 1
665 1 57 LEU H 1 57 LEU HB3 3.950 . 3.950 2.424 2.262 2.495 . 0 0 "[ . 1 . 2]" 1
666 1 57 LEU H 1 57 LEU MD1 5.740 . 5.740 4.164 4.088 4.320 . 0 0 "[ . 1 . 2]" 1
667 1 57 LEU H 1 57 LEU MD2 5.740 . 5.740 4.226 3.850 4.271 . 0 0 "[ . 1 . 2]" 1
668 1 57 LEU H 1 57 LEU HG 5.500 . 5.500 4.428 4.397 4.473 . 0 0 "[ . 1 . 2]" 1
669 1 57 LEU H 1 58 ALA H 3.890 . 3.890 2.494 2.271 2.670 . 0 0 "[ . 1 . 2]" 1
670 1 57 LEU H 1 100 MET ME 6.210 . 6.210 3.943 2.891 5.033 . 0 0 "[ . 1 . 2]" 1
671 1 57 LEU HA 1 60 ILE H 4.690 . 4.690 3.438 3.142 3.826 . 0 0 "[ . 1 . 2]" 1
672 1 57 LEU HA 1 60 ILE HB 3.890 . 3.890 2.729 2.180 3.334 . 0 0 "[ . 1 . 2]" 1
673 1 57 LEU HA 1 100 MET ME 6.120 . 6.120 3.351 2.145 4.522 . 0 0 "[ . 1 . 2]" 1
674 1 57 LEU HB2 1 58 ALA H 4.200 . 4.200 4.164 4.053 4.224 0.024 20 0 "[ . 1 . 2]" 1
675 1 57 LEU HB2 1 60 ILE MG 6.520 . 6.520 5.296 4.894 5.762 . 0 0 "[ . 1 . 2]" 1
676 1 57 LEU HB3 1 58 ALA H 3.450 . 3.450 3.112 2.863 3.244 . 0 0 "[ . 1 . 2]" 1
677 1 57 LEU HB3 1 100 MET ME 6.180 . 6.180 4.035 2.894 5.639 . 0 0 "[ . 1 . 2]" 1
678 1 57 LEU QD 1 60 ILE HB 8.070 . 8.070 2.217 1.819 3.891 . 0 0 "[ . 1 . 2]" 1
679 1 57 LEU QD 1 61 LYS QB 7.240 . 7.240 3.858 3.050 4.719 . 0 0 "[ . 1 . 2]" 1
680 1 57 LEU QD 1 61 LYS QD 6.770 . 6.770 3.933 2.151 5.453 . 0 0 "[ . 1 . 2]" 1
681 1 57 LEU QD 1 61 LYS QE 8.300 . 8.300 4.027 1.904 5.945 . 0 0 "[ . 1 . 2]" 1
682 1 57 LEU QD 1 61 LYS QG 8.950 . 8.950 3.653 2.476 4.856 . 0 0 "[ . 1 . 2]" 1
683 1 57 LEU QD 1 76 GLN HB2 8.070 . 8.070 3.535 1.937 5.778 . 0 0 "[ . 1 . 2]" 1
684 1 57 LEU QD 1 76 GLN QG 7.240 . 7.240 3.483 2.298 4.471 . 0 0 "[ . 1 . 2]" 1
685 1 57 LEU QD 1 100 MET HA 8.070 . 8.070 3.583 2.534 4.788 . 0 0 "[ . 1 . 2]" 1
686 1 57 LEU QD 1 100 MET QB 8.950 . 8.950 3.537 2.305 4.904 . 0 0 "[ . 1 . 2]" 1
687 1 57 LEU QD 1 100 MET ME 8.560 . 8.560 2.407 1.719 3.550 . 0 0 "[ . 1 . 2]" 1
688 1 57 LEU QD 1 100 MET QG 8.950 . 8.950 3.505 2.297 4.849 . 0 0 "[ . 1 . 2]" 1
689 1 57 LEU MD1 1 58 ALA H 6.520 . 6.520 4.627 4.519 4.940 . 0 0 "[ . 1 . 2]" 1
690 1 57 LEU MD1 1 61 LYS HB2 8.280 . 8.280 4.607 3.503 5.675 . 0 0 "[ . 1 . 2]" 1
691 1 57 LEU MD1 1 61 LYS HB3 8.280 . 8.280 5.375 3.344 6.594 . 0 0 "[ . 1 . 2]" 1
692 1 57 LEU MD1 1 61 LYS HD2 8.290 . 8.290 5.453 3.394 7.482 . 0 0 "[ . 1 . 2]" 1
693 1 57 LEU MD1 1 61 LYS HD3 8.290 . 8.290 4.795 2.544 7.216 . 0 0 "[ . 1 . 2]" 1
694 1 57 LEU MD1 1 76 GLN HG2 8.280 . 8.280 3.891 2.348 5.036 . 0 0 "[ . 1 . 2]" 1
695 1 57 LEU MD1 1 76 GLN HG3 8.280 . 8.280 4.419 3.782 5.396 . 0 0 "[ . 1 . 2]" 1
696 1 57 LEU MD2 1 58 ALA H 6.520 . 6.520 4.684 3.044 4.893 . 0 0 "[ . 1 . 2]" 1
697 1 57 LEU MD2 1 61 LYS HB2 8.280 . 8.280 4.839 3.365 6.228 . 0 0 "[ . 1 . 2]" 1
698 1 57 LEU MD2 1 61 LYS HB3 8.280 . 8.280 5.535 3.935 6.637 . 0 0 "[ . 1 . 2]" 1
699 1 57 LEU MD2 1 61 LYS HD2 8.290 . 8.290 5.486 3.805 7.093 . 0 0 "[ . 1 . 2]" 1
700 1 57 LEU MD2 1 61 LYS HD3 8.290 . 8.290 4.914 2.374 7.156 . 0 0 "[ . 1 . 2]" 1
701 1 57 LEU MD2 1 76 GLN HG2 8.280 . 8.280 5.439 3.547 6.914 . 0 0 "[ . 1 . 2]" 1
702 1 57 LEU MD2 1 76 GLN HG3 8.280 . 8.280 5.685 4.253 7.248 . 0 0 "[ . 1 . 2]" 1
703 1 57 LEU HG 1 58 ALA H 4.200 . 4.200 4.190 3.909 4.302 0.102 6 0 "[ . 1 . 2]" 1
704 1 58 ALA H 1 59 PRO HD2 4.850 . 4.850 2.577 2.229 2.872 . 0 0 "[ . 1 . 2]" 1
705 1 58 ALA H 1 59 PRO QD 4.490 . 4.490 2.406 2.197 2.563 . 0 0 "[ . 1 . 2]" 1
706 1 58 ALA H 1 59 PRO HD3 4.850 . 4.850 3.037 2.744 3.503 . 0 0 "[ . 1 . 2]" 1
707 1 58 ALA HA 1 61 LYS H 4.880 . 4.880 3.487 3.194 3.646 . 0 0 "[ . 1 . 2]" 1
708 1 58 ALA HA 1 61 LYS HB2 4.510 . 4.510 3.051 2.413 4.536 0.026 19 0 "[ . 1 . 2]" 1
709 1 58 ALA HA 1 61 LYS QB 4.270 . 4.270 2.737 2.393 3.148 . 0 0 "[ . 1 . 2]" 1
710 1 58 ALA HA 1 61 LYS HB3 4.510 . 4.510 3.711 2.738 4.533 0.023 4 0 "[ . 1 . 2]" 1
711 1 59 PRO HA 1 61 LYS H 5.500 . 5.500 4.020 3.852 4.260 . 0 0 "[ . 1 . 2]" 1
712 1 59 PRO HA 1 62 GLU H 4.420 . 4.420 3.620 3.164 4.247 . 0 0 "[ . 1 . 2]" 1
713 1 59 PRO HB2 1 60 ILE MD 6.180 . 6.180 2.901 2.043 3.723 . 0 0 "[ . 1 . 2]" 1
714 1 59 PRO HB3 1 60 ILE H 4.630 . 4.630 4.043 3.729 4.286 . 0 0 "[ . 1 . 2]" 1
715 1 59 PRO HB3 1 60 ILE MD 5.440 . 5.440 4.258 3.661 5.183 . 0 0 "[ . 1 . 2]" 1
716 1 59 PRO HB3 1 61 LYS H 5.410 . 5.410 5.564 5.494 5.653 0.243 19 0 "[ . 1 . 2]" 1
717 1 59 PRO QD 1 60 ILE H 5.500 . 5.500 2.742 2.564 2.975 . 0 0 "[ . 1 . 2]" 1
718 1 59 PRO HG2 1 60 ILE MD 6.520 . 6.520 3.737 1.847 5.095 . 0 0 "[ . 1 . 2]" 1
719 1 59 PRO HG3 1 60 ILE MD 6.520 . 6.520 4.846 3.413 5.914 . 0 0 "[ . 1 . 2]" 1
720 1 60 ILE H 1 60 ILE HB 3.860 . 3.860 2.479 2.315 2.593 . 0 0 "[ . 1 . 2]" 1
721 1 60 ILE H 1 60 ILE HG12 5.250 . 5.250 2.950 2.039 4.072 . 0 0 "[ . 1 . 2]" 1
722 1 60 ILE H 1 60 ILE QG 5.010 . 5.010 2.652 2.028 3.517 . 0 0 "[ . 1 . 2]" 1
723 1 60 ILE H 1 60 ILE HG13 5.250 . 5.250 3.592 3.183 3.856 . 0 0 "[ . 1 . 2]" 1
724 1 60 ILE H 1 61 LYS H 3.790 . 3.790 2.466 2.310 2.562 . 0 0 "[ . 1 . 2]" 1
725 1 60 ILE HA 1 62 GLU H 5.310 . 5.310 3.940 3.744 4.335 . 0 0 "[ . 1 . 2]" 1
726 1 60 ILE HA 1 63 VAL H 5.130 . 5.130 3.529 3.160 4.022 . 0 0 "[ . 1 . 2]" 1
727 1 60 ILE HA 1 63 VAL HB 4.540 . 4.540 4.103 2.841 4.663 0.123 12 0 "[ . 1 . 2]" 1
728 1 60 ILE HA 1 63 VAL MG1 6.520 . 6.520 3.963 2.531 5.214 . 0 0 "[ . 1 . 2]" 1
729 1 60 ILE HA 1 63 VAL MG2 6.520 . 6.520 3.619 1.724 5.757 . 0 0 "[ . 1 . 2]" 1
730 1 60 ILE HA 1 72 ALA MB 6.520 . 6.520 4.575 3.499 5.599 . 0 0 "[ . 1 . 2]" 1
731 1 60 ILE HB 1 61 LYS H 3.890 . 3.890 3.009 2.785 3.162 . 0 0 "[ . 1 . 2]" 1
732 1 60 ILE HB 1 72 ALA MB 6.520 . 6.520 4.584 3.956 5.519 . 0 0 "[ . 1 . 2]" 1
733 1 60 ILE MD 1 61 LYS H 6.520 . 6.520 4.306 3.768 4.644 . 0 0 "[ . 1 . 2]" 1
734 1 60 ILE QG 1 61 LYS H 5.220 . 5.220 4.316 3.956 4.737 . 0 0 "[ . 1 . 2]" 1
735 1 60 ILE QG 1 76 GLN HA 6.380 . 6.380 4.846 3.713 6.194 . 0 0 "[ . 1 . 2]" 1
736 1 60 ILE HG12 1 61 LYS H 5.500 . 5.500 4.755 4.139 5.464 . 0 0 "[ . 1 . 2]" 1
737 1 60 ILE HG13 1 61 LYS H 5.500 . 5.500 5.120 4.916 5.311 . 0 0 "[ . 1 . 2]" 1
738 1 60 ILE MG 1 61 LYS H 6.490 . 6.490 3.676 3.460 3.855 . 0 0 "[ . 1 . 2]" 1
739 1 60 ILE MG 1 61 LYS HA 6.520 . 6.520 3.537 3.311 3.821 . 0 0 "[ . 1 . 2]" 1
740 1 60 ILE MG 1 64 ASP H 6.520 . 6.520 3.967 3.445 4.592 . 0 0 "[ . 1 . 2]" 1
741 1 60 ILE MG 1 72 ALA HA 6.330 . 6.330 3.205 2.445 4.198 . 0 0 "[ . 1 . 2]" 1
742 1 60 ILE MG 1 72 ALA MB 7.290 . 7.290 2.282 1.481 3.272 . 0 0 "[ . 1 . 2]" 1
743 1 60 ILE MG 1 75 LEU H 6.520 . 6.520 5.168 4.478 5.839 . 0 0 "[ . 1 . 2]" 1
744 1 60 ILE MG 1 76 GLN H 6.270 . 6.270 4.154 3.507 4.805 . 0 0 "[ . 1 . 2]" 1
745 1 60 ILE MG 1 76 GLN HA 6.520 . 6.520 4.541 3.040 5.385 . 0 0 "[ . 1 . 2]" 1
746 1 60 ILE MG 1 76 GLN HB2 6.520 . 6.520 4.680 3.175 6.184 . 0 0 "[ . 1 . 2]" 1
747 1 60 ILE MG 1 76 GLN HB3 6.150 . 6.150 3.569 1.897 5.832 . 0 0 "[ . 1 . 2]" 1
748 1 60 ILE MG 1 76 GLN HG2 6.520 . 6.520 3.884 2.237 5.239 . 0 0 "[ . 1 . 2]" 1
749 1 60 ILE MG 1 76 GLN HG3 6.520 . 6.520 4.856 3.470 6.564 0.044 18 0 "[ . 1 . 2]" 1
750 1 61 LYS H 1 61 LYS HB2 3.830 . 3.830 2.495 2.102 3.589 . 0 0 "[ . 1 . 2]" 1
751 1 61 LYS H 1 61 LYS HB3 3.830 . 3.830 3.049 2.238 3.638 . 0 0 "[ . 1 . 2]" 1
752 1 61 LYS H 1 61 LYS HD2 5.500 . 5.500 4.646 3.088 5.304 . 0 0 "[ . 1 . 2]" 1
753 1 61 LYS H 1 61 LYS HD3 5.500 . 5.500 4.451 3.626 5.296 . 0 0 "[ . 1 . 2]" 1
754 1 61 LYS H 1 61 LYS HG2 5.500 . 5.500 3.545 2.314 4.660 . 0 0 "[ . 1 . 2]" 1
755 1 61 LYS H 1 61 LYS HG3 5.500 . 5.500 4.116 3.008 4.585 . 0 0 "[ . 1 . 2]" 1
756 1 61 LYS H 1 62 GLU H 3.920 . 3.920 2.519 2.379 2.741 . 0 0 "[ . 1 . 2]" 1
757 1 61 LYS HA 1 61 LYS HD2 5.500 . 5.500 2.951 1.578 4.635 . 0 0 "[ . 1 . 2]" 1
758 1 61 LYS HA 1 61 LYS HD3 5.500 . 5.500 2.870 1.617 5.373 . 0 0 "[ . 1 . 2]" 1
759 1 61 LYS HA 1 61 LYS HE2 5.500 . 5.500 4.381 3.624 5.824 0.324 20 0 "[ . 1 . 2]" 1
760 1 61 LYS HA 1 61 LYS HE3 5.500 . 5.500 4.607 4.056 5.508 0.008 20 0 "[ . 1 . 2]" 1
761 1 61 LYS HA 1 63 VAL QG 8.070 . 8.070 4.493 3.660 5.156 . 0 0 "[ . 1 . 2]" 1
762 1 61 LYS QB 1 62 GLU H 4.100 . 4.100 2.989 2.665 3.603 . 0 0 "[ . 1 . 2]" 1
763 1 61 LYS HB2 1 61 LYS HE2 5.500 . 5.500 4.647 3.637 5.301 . 0 0 "[ . 1 . 2]" 1
764 1 61 LYS HB2 1 61 LYS HE3 5.500 . 5.500 4.567 3.106 5.501 0.001 9 0 "[ . 1 . 2]" 1
765 1 61 LYS HB2 1 62 GLU H 4.320 . 4.320 3.562 2.806 4.307 . 0 0 "[ . 1 . 2]" 1
766 1 61 LYS HB3 1 61 LYS HE2 5.500 . 5.500 4.659 4.063 5.507 0.007 7 0 "[ . 1 . 2]" 1
767 1 61 LYS HB3 1 61 LYS HE3 5.500 . 5.500 4.361 3.346 4.877 . 0 0 "[ . 1 . 2]" 1
768 1 61 LYS HB3 1 62 GLU H 4.320 . 4.320 3.394 2.710 3.971 . 0 0 "[ . 1 . 2]" 1
769 1 61 LYS HD2 1 62 GLU H 5.500 . 5.500 5.037 3.823 5.638 0.138 3 0 "[ . 1 . 2]" 1
770 1 61 LYS HD3 1 62 GLU H 5.500 . 5.500 5.123 4.401 5.753 0.253 4 0 "[ . 1 . 2]" 1
771 1 61 LYS HG2 1 62 GLU H 5.500 . 5.500 4.727 3.260 5.313 . 0 0 "[ . 1 . 2]" 1
772 1 61 LYS HG3 1 62 GLU H 5.500 . 5.500 4.726 2.490 5.470 . 0 0 "[ . 1 . 2]" 1
773 1 62 GLU H 1 62 GLU HB2 3.450 . 3.450 2.635 2.314 3.600 0.150 13 0 "[ . 1 . 2]" 1
774 1 62 GLU H 1 62 GLU HB3 3.450 . 3.450 2.735 2.511 3.578 0.128 3 0 "[ . 1 . 2]" 1
775 1 62 GLU H 1 62 GLU HG2 5.160 . 5.160 4.009 2.118 4.618 . 0 0 "[ . 1 . 2]" 1
776 1 62 GLU H 1 62 GLU QG 4.870 . 4.870 3.403 1.942 4.058 . 0 0 "[ . 1 . 2]" 1
777 1 62 GLU H 1 62 GLU HG3 5.160 . 5.160 3.848 1.960 4.569 . 0 0 "[ . 1 . 2]" 1
778 1 62 GLU H 1 63 VAL H 3.950 . 3.950 2.694 2.466 2.823 . 0 0 "[ . 1 . 2]" 1
779 1 62 GLU H 1 63 VAL QG 8.070 . 8.070 3.930 3.552 4.189 . 0 0 "[ . 1 . 2]" 1
780 1 62 GLU HA 1 63 VAL QG 8.070 . 8.070 4.745 4.446 4.974 . 0 0 "[ . 1 . 2]" 1
781 1 62 GLU QB 1 63 VAL QG 8.020 . 8.020 3.452 2.733 4.699 . 0 0 "[ . 1 . 2]" 1
782 1 62 GLU HB2 1 63 VAL H 4.110 . 4.110 3.654 2.371 4.001 . 0 0 "[ . 1 . 2]" 1
783 1 62 GLU HB2 1 63 VAL MG1 9.620 . 9.620 5.707 2.968 6.794 . 0 0 "[ . 1 . 2]" 1
784 1 62 GLU HB2 1 63 VAL MG2 9.620 . 9.620 5.170 3.162 6.635 . 0 0 "[ . 1 . 2]" 1
785 1 62 GLU HB3 1 63 VAL H 4.110 . 4.110 3.001 2.405 4.159 0.049 18 0 "[ . 1 . 2]" 1
786 1 62 GLU HB3 1 63 VAL MG1 9.620 . 9.620 5.033 4.011 5.927 . 0 0 "[ . 1 . 2]" 1
787 1 62 GLU HB3 1 63 VAL MG2 9.620 . 9.620 4.365 2.787 6.721 . 0 0 "[ . 1 . 2]" 1
788 1 62 GLU HG2 1 63 VAL H 5.500 . 5.500 4.210 2.708 5.051 . 0 0 "[ . 1 . 2]" 1
789 1 62 GLU HG3 1 63 VAL H 5.500 . 5.500 4.180 2.334 5.232 . 0 0 "[ . 1 . 2]" 1
790 1 63 VAL H 1 63 VAL HB 3.730 . 3.730 2.717 2.420 3.667 . 0 0 "[ . 1 . 2]" 1
791 1 63 VAL H 1 64 ASP H 4.040 . 4.040 2.501 2.361 2.689 . 0 0 "[ . 1 . 2]" 1
792 1 63 VAL HB 1 64 ASP H 4.170 . 4.170 3.287 2.368 4.006 . 0 0 "[ . 1 . 2]" 1
793 1 63 VAL HB 1 72 ALA MB 6.330 . 6.330 3.859 2.236 5.457 . 0 0 "[ . 1 . 2]" 1
794 1 63 VAL QG 1 66 SER H 8.070 . 8.070 4.248 3.922 4.862 . 0 0 "[ . 1 . 2]" 1
795 1 63 VAL QG 1 68 LYS H 8.070 . 8.070 3.894 2.819 5.174 . 0 0 "[ . 1 . 2]" 1
796 1 63 VAL QG 1 68 LYS QB 7.280 . 7.280 2.749 1.685 4.916 . 0 0 "[ . 1 . 2]" 1
797 1 63 VAL QG 1 68 LYS QD 8.020 . 8.020 3.907 2.522 6.100 . 0 0 "[ . 1 . 2]" 1
798 1 63 VAL QG 1 68 LYS QE 8.020 . 8.020 4.294 2.086 5.883 . 0 0 "[ . 1 . 2]" 1
799 1 63 VAL QG 1 68 LYS QG 8.020 . 8.020 3.667 2.180 6.047 . 0 0 "[ . 1 . 2]" 1
800 1 63 VAL QG 1 71 VAL H 8.070 . 8.070 5.291 4.104 6.400 . 0 0 "[ . 1 . 2]" 1
801 1 63 VAL QG 1 71 VAL HB 7.760 . 7.760 4.526 2.817 6.268 . 0 0 "[ . 1 . 2]" 1
802 1 63 VAL QG 1 71 VAL QG 8.910 . 8.910 3.361 1.876 4.401 . 0 0 "[ . 1 . 2]" 1
803 1 63 VAL QG 1 72 ALA H 7.170 . 7.170 3.936 2.899 5.066 . 0 0 "[ . 1 . 2]" 1
804 1 63 VAL MG1 1 64 ASP H 6.520 . 6.520 3.152 2.272 4.049 . 0 0 "[ . 1 . 2]" 1
805 1 63 VAL MG1 1 64 ASP HA 6.520 . 6.520 3.715 3.092 5.579 . 0 0 "[ . 1 . 2]" 1
806 1 63 VAL MG1 1 68 LYS HB2 9.220 . 9.220 3.734 1.702 7.052 . 0 0 "[ . 1 . 2]" 1
807 1 63 VAL MG1 1 68 LYS HB3 9.220 . 9.220 4.310 2.731 7.157 . 0 0 "[ . 1 . 2]" 1
808 1 63 VAL MG1 1 68 LYS HD2 9.620 . 9.620 5.181 2.819 7.480 . 0 0 "[ . 1 . 2]" 1
809 1 63 VAL MG1 1 68 LYS HD3 9.620 . 9.620 5.600 3.921 7.597 . 0 0 "[ . 1 . 2]" 1
810 1 63 VAL MG1 1 68 LYS HE2 9.620 . 9.620 5.991 3.540 7.132 . 0 0 "[ . 1 . 2]" 1
811 1 63 VAL MG1 1 68 LYS HE3 9.620 . 9.620 5.494 2.106 7.857 . 0 0 "[ . 1 . 2]" 1
812 1 63 VAL MG1 1 68 LYS HG2 9.620 . 9.620 5.099 3.151 7.249 . 0 0 "[ . 1 . 2]" 1
813 1 63 VAL MG1 1 68 LYS HG3 9.620 . 9.620 4.978 2.227 6.772 . 0 0 "[ . 1 . 2]" 1
814 1 63 VAL MG1 1 71 VAL MG1 10.640 . 10.640 4.399 2.349 6.285 . 0 0 "[ . 1 . 2]" 1
815 1 63 VAL MG1 1 71 VAL MG2 10.640 . 10.640 4.663 2.127 7.231 . 0 0 "[ . 1 . 2]" 1
816 1 63 VAL MG1 1 72 ALA HA 6.520 . 6.520 4.097 2.829 6.241 . 0 0 "[ . 1 . 2]" 1
817 1 63 VAL MG1 1 72 ALA MB 7.540 . 7.540 2.913 1.928 5.627 . 0 0 "[ . 1 . 2]" 1
818 1 63 VAL MG2 1 64 ASP H 6.520 . 6.520 3.599 2.251 4.074 . 0 0 "[ . 1 . 2]" 1
819 1 63 VAL MG2 1 64 ASP HA 6.520 . 6.520 4.628 3.264 5.484 . 0 0 "[ . 1 . 2]" 1
820 1 63 VAL MG2 1 68 LYS HB2 9.220 . 9.220 4.266 1.878 7.433 . 0 0 "[ . 1 . 2]" 1
821 1 63 VAL MG2 1 68 LYS HB3 9.220 . 9.220 5.026 2.137 8.309 . 0 0 "[ . 1 . 2]" 1
822 1 63 VAL MG2 1 68 LYS HD2 9.620 . 9.620 5.621 2.574 8.917 . 0 0 "[ . 1 . 2]" 1
823 1 63 VAL MG2 1 68 LYS HD3 9.620 . 9.620 6.101 3.760 9.709 0.089 17 0 "[ . 1 . 2]" 1
824 1 63 VAL MG2 1 68 LYS HE2 9.620 . 9.620 6.618 4.443 9.676 0.056 4 0 "[ . 1 . 2]" 1
825 1 63 VAL MG2 1 68 LYS HE3 9.620 . 9.620 6.082 3.647 9.651 0.031 19 0 "[ . 1 . 2]" 1
826 1 63 VAL MG2 1 68 LYS HG2 9.620 . 9.620 5.592 2.858 9.631 0.011 17 0 "[ . 1 . 2]" 1
827 1 63 VAL MG2 1 68 LYS HG3 9.620 . 9.620 5.435 2.670 8.983 . 0 0 "[ . 1 . 2]" 1
828 1 63 VAL MG2 1 71 VAL MG1 10.640 . 10.640 4.949 2.279 7.307 . 0 0 "[ . 1 . 2]" 1
829 1 63 VAL MG2 1 71 VAL MG2 10.640 . 10.640 5.267 2.100 7.640 . 0 0 "[ . 1 . 2]" 1
830 1 63 VAL MG2 1 72 ALA HA 6.520 . 6.520 4.872 3.213 6.250 . 0 0 "[ . 1 . 2]" 1
831 1 63 VAL MG2 1 72 ALA MB 7.540 . 7.540 3.771 1.940 4.806 . 0 0 "[ . 1 . 2]" 1
832 1 64 ASP H 1 64 ASP HB2 4.070 . 4.070 2.956 2.365 3.674 . 0 0 "[ . 1 . 2]" 1
833 1 64 ASP H 1 64 ASP HB3 3.920 . 3.920 2.378 2.103 2.657 . 0 0 "[ . 1 . 2]" 1
834 1 64 ASP H 1 65 THR H 4.350 . 4.350 2.716 2.499 2.909 . 0 0 "[ . 1 . 2]" 1
835 1 64 ASP H 1 72 ALA MB 5.620 . 5.620 3.341 2.995 3.909 . 0 0 "[ . 1 . 2]" 1
836 1 64 ASP HA 1 68 LYS H 5.000 . 5.000 3.928 2.774 5.132 0.132 3 0 "[ . 1 . 2]" 1
837 1 64 ASP HA 1 72 ALA MB 5.310 . 5.310 2.884 2.254 3.796 . 0 0 "[ . 1 . 2]" 1
838 1 64 ASP HA 1 104 LEU QD 8.070 . 8.070 6.205 4.390 7.515 . 0 0 "[ . 1 . 2]" 1
839 1 64 ASP HB2 1 65 THR H 4.320 . 4.320 3.899 3.719 4.067 . 0 0 "[ . 1 . 2]" 1
840 1 64 ASP HB2 1 72 ALA MB 6.180 . 6.180 2.612 1.823 3.139 . 0 0 "[ . 1 . 2]" 1
841 1 64 ASP HB2 1 104 LEU QD 8.070 . 8.070 4.956 2.897 6.178 . 0 0 "[ . 1 . 2]" 1
842 1 64 ASP HB3 1 65 THR H 4.760 . 4.760 2.899 2.302 3.960 . 0 0 "[ . 1 . 2]" 1
843 1 64 ASP HB3 1 72 ALA MB 5.310 . 5.310 3.360 1.931 4.456 . 0 0 "[ . 1 . 2]" 1
844 1 64 ASP HB3 1 104 LEU QD 8.070 . 8.070 5.384 3.475 6.380 . 0 0 "[ . 1 . 2]" 1
845 1 65 THR H 1 66 SER H 4.170 . 4.170 2.569 2.416 2.779 . 0 0 "[ . 1 . 2]" 1
846 1 65 THR HB 1 66 SER H 3.890 . 3.890 3.039 2.415 3.890 . 0 0 "[ . 1 . 2]" 1
847 1 65 THR MG 1 66 SER H 6.520 . 6.520 3.859 3.402 4.139 . 0 0 "[ . 1 . 2]" 1
848 1 66 SER H 1 67 GLY H 4.200 . 4.200 2.542 2.261 2.701 . 0 0 "[ . 1 . 2]" 1
849 1 66 SER HB2 1 67 GLY H 5.500 . 5.500 3.595 2.581 4.426 . 0 0 "[ . 1 . 2]" 1
850 1 66 SER HB3 1 67 GLY H 5.500 . 5.500 3.745 2.537 4.423 . 0 0 "[ . 1 . 2]" 1
851 1 67 GLY H 1 68 LYS H 3.920 . 3.920 2.644 2.014 4.210 0.290 3 0 "[ . 1 . 2]" 1
852 1 68 LYS H 1 68 LYS HB2 4.010 . 4.010 2.687 2.159 3.773 . 0 0 "[ . 1 . 2]" 1
853 1 68 LYS H 1 68 LYS HB3 4.010 . 4.010 3.563 2.939 4.111 0.101 17 0 "[ . 1 . 2]" 1
854 1 68 LYS H 1 68 LYS HD2 5.500 . 5.500 4.535 2.983 5.265 . 0 0 "[ . 1 . 2]" 1
855 1 68 LYS H 1 68 LYS HD3 5.500 . 5.500 4.784 3.995 5.568 0.068 11 0 "[ . 1 . 2]" 1
856 1 68 LYS H 1 68 LYS HE2 5.500 . 5.500 3.912 2.565 5.306 . 0 0 "[ . 1 . 2]" 1
857 1 68 LYS H 1 68 LYS HE3 5.500 . 5.500 3.526 1.817 5.546 0.046 19 0 "[ . 1 . 2]" 1
858 1 68 LYS H 1 68 LYS HG2 4.880 . 4.880 3.544 1.884 4.810 . 0 0 "[ . 1 . 2]" 1
859 1 68 LYS H 1 68 LYS HG3 4.880 . 4.880 3.525 2.486 4.581 . 0 0 "[ . 1 . 2]" 1
860 1 68 LYS H 1 69 HIS H 5.190 . 5.190 3.303 2.593 4.345 . 0 0 "[ . 1 . 2]" 1
861 1 68 LYS HA 1 68 LYS HD2 5.500 . 5.500 4.302 3.145 5.393 . 0 0 "[ . 1 . 2]" 1
862 1 68 LYS HA 1 68 LYS HD3 5.500 . 5.500 4.069 2.487 4.813 . 0 0 "[ . 1 . 2]" 1
863 1 68 LYS HA 1 68 LYS HE2 5.500 . 5.500 3.070 1.368 4.426 . 0 0 "[ . 1 . 2]" 1
864 1 68 LYS HA 1 68 LYS HE3 5.500 . 5.500 3.324 1.368 4.525 . 0 0 "[ . 1 . 2]" 1
865 1 68 LYS HA 1 69 HIS H 3.450 . 3.450 2.545 2.087 3.003 . 0 0 "[ . 1 . 2]" 1
866 1 68 LYS HB2 1 68 LYS HE2 5.500 . 5.500 3.617 2.806 5.162 . 0 0 "[ . 1 . 2]" 1
867 1 68 LYS HB2 1 68 LYS HE3 5.500 . 5.500 3.347 1.812 4.699 . 0 0 "[ . 1 . 2]" 1
868 1 68 LYS HB2 1 69 HIS H 5.130 . 5.130 4.318 3.897 4.613 . 0 0 "[ . 1 . 2]" 1
869 1 68 LYS HB2 1 71 VAL MG1 6.520 . 6.520 4.202 1.653 5.692 . 0 0 "[ . 1 . 2]" 1
870 1 68 LYS HB2 1 71 VAL MG2 6.520 . 6.520 3.786 2.164 5.754 . 0 0 "[ . 1 . 2]" 1
871 1 68 LYS HB3 1 68 LYS HE2 5.500 . 5.500 3.523 1.817 4.556 . 0 0 "[ . 1 . 2]" 1
872 1 68 LYS HB3 1 68 LYS HE3 5.500 . 5.500 3.642 2.734 4.317 . 0 0 "[ . 1 . 2]" 1
873 1 68 LYS HB3 1 69 HIS H 5.130 . 5.130 4.228 3.548 4.619 . 0 0 "[ . 1 . 2]" 1
874 1 68 LYS HB3 1 71 VAL MG1 6.520 . 6.520 3.546 1.562 5.068 . 0 0 "[ . 1 . 2]" 1
875 1 68 LYS HB3 1 71 VAL MG2 6.520 . 6.520 3.013 1.751 4.846 . 0 0 "[ . 1 . 2]" 1
876 1 68 LYS QE 1 71 VAL QG 8.020 . 8.020 3.813 1.944 4.612 . 0 0 "[ . 1 . 2]" 1
877 1 68 LYS HE2 1 69 HIS H 5.500 . 5.500 5.067 3.797 5.578 0.078 15 0 "[ . 1 . 2]" 1
878 1 68 LYS HE2 1 71 VAL MG1 9.620 . 9.620 5.298 3.707 7.037 . 0 0 "[ . 1 . 2]" 1
879 1 68 LYS HE2 1 71 VAL MG2 9.620 . 9.620 4.845 1.959 7.798 . 0 0 "[ . 1 . 2]" 1
880 1 68 LYS HE3 1 69 HIS H 5.500 . 5.500 5.087 3.281 5.586 0.086 17 0 "[ . 1 . 2]" 1
881 1 68 LYS HE3 1 71 VAL MG1 9.620 . 9.620 5.586 4.731 6.941 . 0 0 "[ . 1 . 2]" 1
882 1 68 LYS HE3 1 71 VAL MG2 9.620 . 9.620 5.278 3.375 7.193 . 0 0 "[ . 1 . 2]" 1
883 1 68 LYS QG 1 71 VAL QG 8.550 . 8.550 3.038 1.889 4.089 . 0 0 "[ . 1 . 2]" 1
884 1 68 LYS HG2 1 69 HIS H 5.500 . 5.500 5.041 4.238 5.636 0.136 4 0 "[ . 1 . 2]" 1
885 1 68 LYS HG3 1 69 HIS H 5.500 . 5.500 5.027 4.125 5.846 0.346 5 0 "[ . 1 . 2]" 1
886 1 69 HIS H 1 69 HIS HB2 3.920 . 3.920 3.315 2.293 3.644 . 0 0 "[ . 1 . 2]" 1
887 1 69 HIS H 1 69 HIS HB3 3.920 . 3.920 2.699 2.208 3.615 . 0 0 "[ . 1 . 2]" 1
888 1 69 HIS H 1 70 ASP H 4.910 . 4.910 2.664 2.401 3.028 . 0 0 "[ . 1 . 2]" 1
889 1 69 HIS HA 1 72 ALA H 5.040 . 5.040 3.554 3.011 4.058 . 0 0 "[ . 1 . 2]" 1
890 1 69 HIS HA 1 72 ALA MB 5.900 . 5.900 2.672 1.768 3.330 . 0 0 "[ . 1 . 2]" 1
891 1 69 HIS HB2 1 70 ASP H 5.000 . 5.000 3.787 2.536 4.283 . 0 0 "[ . 1 . 2]" 1
892 1 69 HIS HB3 1 70 ASP H 5.000 . 5.000 3.844 2.370 4.397 . 0 0 "[ . 1 . 2]" 1
893 1 70 ASP H 1 71 VAL H 4.260 . 4.260 2.633 2.430 2.886 . 0 0 "[ . 1 . 2]" 1
894 1 70 ASP H 1 71 VAL QG 8.070 . 8.070 3.790 3.537 4.071 . 0 0 "[ . 1 . 2]" 1
895 1 70 ASP HA 1 73 GLN H 4.720 . 4.720 3.777 3.433 4.237 . 0 0 "[ . 1 . 2]" 1
896 1 70 ASP HA 1 73 GLN HB2 4.910 . 4.910 3.370 2.843 4.444 . 0 0 "[ . 1 . 2]" 1
897 1 70 ASP HA 1 73 GLN QB 4.630 . 4.630 3.135 2.672 3.853 . 0 0 "[ . 1 . 2]" 1
898 1 70 ASP HA 1 73 GLN HB3 4.910 . 4.910 4.153 3.247 4.959 0.049 17 0 "[ . 1 . 2]" 1
899 1 70 ASP HA 1 74 ARG H 5.500 . 5.500 4.292 3.932 4.824 . 0 0 "[ . 1 . 2]" 1
900 1 70 ASP QB 1 71 VAL QG 8.950 . 8.950 3.333 2.654 4.131 . 0 0 "[ . 1 . 2]" 1
901 1 70 ASP HB2 1 71 VAL H 4.480 . 4.480 3.545 2.485 3.973 . 0 0 "[ . 1 . 2]" 1
902 1 70 ASP HB3 1 71 VAL H 4.480 . 4.480 2.984 2.291 4.006 . 0 0 "[ . 1 . 2]" 1
903 1 71 VAL H 1 71 VAL HB 3.860 . 3.860 2.828 2.424 3.661 . 0 0 "[ . 1 . 2]" 1
904 1 71 VAL H 1 72 ALA H 3.950 . 3.950 2.623 2.462 2.791 . 0 0 "[ . 1 . 2]" 1
905 1 71 VAL HA 1 74 ARG H 4.480 . 4.480 3.518 3.110 3.950 . 0 0 "[ . 1 . 2]" 1
906 1 71 VAL HA 1 74 ARG HB2 4.480 . 4.480 2.867 2.155 3.873 . 0 0 "[ . 1 . 2]" 1
907 1 71 VAL HA 1 74 ARG QB 4.170 . 4.170 2.666 2.143 3.063 . 0 0 "[ . 1 . 2]" 1
908 1 71 VAL HA 1 74 ARG HB3 4.480 . 4.480 3.797 2.632 4.500 0.020 9 0 "[ . 1 . 2]" 1
909 1 71 VAL HB 1 72 ALA H 4.040 . 4.040 3.132 2.379 3.989 . 0 0 "[ . 1 . 2]" 1
910 1 71 VAL QG 1 72 ALA H 6.210 . 6.210 2.755 2.181 3.288 . 0 0 "[ . 1 . 2]" 1
911 1 71 VAL QG 1 72 ALA MB 9.090 . 9.090 3.555 2.929 4.092 . 0 0 "[ . 1 . 2]" 1
912 1 71 VAL QG 1 74 ARG QB 8.950 . 8.950 3.521 2.951 4.056 . 0 0 "[ . 1 . 2]" 1
913 1 71 VAL QG 1 75 LEU QD 10.630 . 10.630 2.489 1.744 3.707 . 0 0 "[ . 1 . 2]" 1
914 1 71 VAL QG 1 75 LEU HG 8.070 . 8.070 3.691 2.175 5.705 . 0 0 "[ . 1 . 2]" 1
915 1 71 VAL MG1 1 72 ALA H 6.460 . 6.460 3.354 2.235 3.995 . 0 0 "[ . 1 . 2]" 1
916 1 71 VAL MG1 1 72 ALA HA 6.520 . 6.520 3.930 3.076 5.480 . 0 0 "[ . 1 . 2]" 1
917 1 71 VAL MG2 1 72 ALA H 6.460 . 6.460 3.366 2.191 3.935 . 0 0 "[ . 1 . 2]" 1
918 1 71 VAL MG2 1 72 ALA HA 6.520 . 6.520 4.547 3.094 5.388 . 0 0 "[ . 1 . 2]" 1
919 1 72 ALA H 1 73 GLN H 4.070 . 4.070 2.768 2.615 2.952 . 0 0 "[ . 1 . 2]" 1
920 1 72 ALA H 1 73 GLN QB 6.380 . 6.380 4.531 4.256 4.710 . 0 0 "[ . 1 . 2]" 1
921 1 72 ALA H 1 75 LEU HB2 5.500 . 5.500 5.078 4.705 5.519 0.019 8 0 "[ . 1 . 2]" 1
922 1 72 ALA HA 1 75 LEU H 4.910 . 4.910 3.499 3.117 3.764 . 0 0 "[ . 1 . 2]" 1
923 1 72 ALA HA 1 75 LEU HB2 4.320 . 4.320 2.812 2.225 3.081 . 0 0 "[ . 1 . 2]" 1
924 1 72 ALA HA 1 75 LEU MD1 6.520 . 6.520 3.732 2.212 5.554 . 0 0 "[ . 1 . 2]" 1
925 1 72 ALA HA 1 75 LEU MD2 6.520 . 6.520 3.996 2.100 5.411 . 0 0 "[ . 1 . 2]" 1
926 1 72 ALA MB 1 73 GLN QB 7.400 . 7.400 3.963 3.539 4.255 . 0 0 "[ . 1 . 2]" 1
927 1 72 ALA MB 1 75 LEU HB2 6.520 . 6.520 4.239 3.695 4.569 . 0 0 "[ . 1 . 2]" 1
928 1 72 ALA MB 1 75 LEU QD 9.090 . 9.090 4.047 3.378 4.904 . 0 0 "[ . 1 . 2]" 1
929 1 72 ALA MB 1 104 LEU QD 9.090 . 9.090 4.827 3.396 5.970 . 0 0 "[ . 1 . 2]" 1
930 1 73 GLN H 1 73 GLN HB2 3.360 . 3.360 2.283 2.179 2.401 . 0 0 "[ . 1 . 2]" 1
931 1 73 GLN H 1 73 GLN HB3 3.360 . 3.360 3.175 2.802 3.538 0.178 13 0 "[ . 1 . 2]" 1
932 1 73 GLN H 1 73 GLN HG2 5.040 . 5.040 3.554 2.355 4.597 . 0 0 "[ . 1 . 2]" 1
933 1 73 GLN H 1 73 GLN HG3 5.040 . 5.040 3.760 2.992 4.512 . 0 0 "[ . 1 . 2]" 1
934 1 73 GLN HA 1 76 GLN H 4.450 . 4.450 3.507 3.309 3.759 . 0 0 "[ . 1 . 2]" 1
935 1 73 GLN HA 1 76 GLN HB2 4.540 . 4.540 4.401 3.446 4.733 0.193 18 0 "[ . 1 . 2]" 1
936 1 73 GLN QB 1 104 LEU QD 6.770 . 6.770 4.150 3.015 5.226 . 0 0 "[ . 1 . 2]" 1
937 1 73 GLN HB2 1 73 GLN HE22 5.500 . 5.500 4.689 3.744 5.107 . 0 0 "[ . 1 . 2]" 1
938 1 73 GLN HB2 1 74 ARG H 3.360 . 3.360 2.978 2.433 3.514 0.154 5 0 "[ . 1 . 2]" 1
939 1 73 GLN HB2 1 104 LEU MD1 8.280 . 8.280 5.068 3.253 7.782 . 0 0 "[ . 1 . 2]" 1
940 1 73 GLN HB2 1 104 LEU MD2 8.280 . 8.280 5.573 3.526 7.880 . 0 0 "[ . 1 . 2]" 1
941 1 73 GLN HB3 1 73 GLN HE22 5.500 . 5.500 4.430 3.127 5.363 . 0 0 "[ . 1 . 2]" 1
942 1 73 GLN HB3 1 74 ARG H 3.360 . 3.360 2.886 2.316 3.452 0.092 20 0 "[ . 1 . 2]" 1
943 1 73 GLN HB3 1 104 LEU MD1 8.280 . 8.280 5.451 4.487 7.185 . 0 0 "[ . 1 . 2]" 1
944 1 73 GLN HB3 1 104 LEU MD2 8.280 . 8.280 5.881 4.071 7.260 . 0 0 "[ . 1 . 2]" 1
945 1 73 GLN QE 1 104 LEU QB 7.240 . 7.240 4.325 2.404 6.025 . 0 0 "[ . 1 . 2]" 1
946 1 73 GLN HE21 1 101 ALA HA 5.500 . 5.500 4.889 4.190 5.541 0.041 1 0 "[ . 1 . 2]" 1
947 1 73 GLN HE21 1 101 ALA MB 6.520 . 6.520 4.272 2.685 5.784 . 0 0 "[ . 1 . 2]" 1
948 1 73 GLN HE21 1 104 LEU MD1 6.520 . 6.520 4.107 1.664 5.401 . 0 0 "[ . 1 . 2]" 1
949 1 73 GLN HE21 1 104 LEU MD2 6.520 . 6.520 3.967 2.089 6.167 . 0 0 "[ . 1 . 2]" 1
950 1 73 GLN HE21 1 104 LEU HG 5.500 . 5.500 4.854 3.309 5.565 0.065 12 0 "[ . 1 . 2]" 1
951 1 73 GLN HE22 1 101 ALA HA 5.500 . 5.500 4.697 3.624 5.560 0.060 11 0 "[ . 1 . 2]" 1
952 1 73 GLN HE22 1 101 ALA MB 6.520 . 6.520 4.293 2.234 5.828 . 0 0 "[ . 1 . 2]" 1
953 1 73 GLN HE22 1 104 LEU MD1 6.520 . 6.520 3.512 1.911 5.191 . 0 0 "[ . 1 . 2]" 1
954 1 73 GLN HE22 1 104 LEU MD2 6.520 . 6.520 3.296 1.661 4.893 . 0 0 "[ . 1 . 2]" 1
955 1 73 GLN HE22 1 104 LEU HG 5.500 . 5.500 3.912 2.511 5.180 . 0 0 "[ . 1 . 2]" 1
956 1 73 GLN QG 1 101 ALA MB 7.400 . 7.400 5.257 3.233 6.898 . 0 0 "[ . 1 . 2]" 1
957 1 73 GLN HG2 1 74 ARG H 4.540 . 4.540 4.478 4.081 4.629 0.089 14 0 "[ . 1 . 2]" 1
958 1 73 GLN HG2 1 104 LEU MD1 6.520 . 6.520 4.379 2.910 6.101 . 0 0 "[ . 1 . 2]" 1
959 1 73 GLN HG2 1 104 LEU MD2 6.520 . 6.520 4.811 2.567 6.574 0.054 11 0 "[ . 1 . 2]" 1
960 1 73 GLN HG3 1 74 ARG H 4.540 . 4.540 4.438 4.095 4.680 0.140 8 0 "[ . 1 . 2]" 1
961 1 73 GLN HG3 1 104 LEU MD1 6.520 . 6.520 4.546 2.681 6.138 . 0 0 "[ . 1 . 2]" 1
962 1 73 GLN HG3 1 104 LEU MD2 6.520 . 6.520 5.057 3.483 6.328 . 0 0 "[ . 1 . 2]" 1
963 1 74 ARG H 1 74 ARG HB2 3.920 . 3.920 2.416 2.156 2.732 . 0 0 "[ . 1 . 2]" 1
964 1 74 ARG H 1 74 ARG HB3 3.920 . 3.920 3.330 2.598 3.623 . 0 0 "[ . 1 . 2]" 1
965 1 74 ARG H 1 74 ARG HD2 5.500 . 5.500 4.185 2.530 5.036 . 0 0 "[ . 1 . 2]" 1
966 1 74 ARG H 1 74 ARG HD3 5.500 . 5.500 4.083 2.795 5.093 . 0 0 "[ . 1 . 2]" 1
967 1 74 ARG H 1 74 ARG HG2 5.500 . 5.500 3.489 1.899 4.623 . 0 0 "[ . 1 . 2]" 1
968 1 74 ARG H 1 74 ARG HG3 5.500 . 5.500 3.489 1.898 4.546 . 0 0 "[ . 1 . 2]" 1
969 1 74 ARG H 1 75 LEU H 4.010 . 4.010 2.737 2.605 2.872 . 0 0 "[ . 1 . 2]" 1
970 1 74 ARG HA 1 74 ARG HD2 5.500 . 5.500 3.395 1.752 4.911 . 0 0 "[ . 1 . 2]" 1
971 1 74 ARG HA 1 74 ARG HD3 5.500 . 5.500 3.424 1.973 4.651 . 0 0 "[ . 1 . 2]" 1
972 1 74 ARG QB 1 75 LEU H 3.790 . 3.790 2.660 2.453 2.848 . 0 0 "[ . 1 . 2]" 1
973 1 74 ARG HB2 1 75 LEU H 3.950 . 3.950 3.060 2.509 3.920 . 0 0 "[ . 1 . 2]" 1
974 1 74 ARG HB3 1 75 LEU H 3.950 . 3.950 3.347 2.490 3.930 . 0 0 "[ . 1 . 2]" 1
975 1 74 ARG HG2 1 75 LEU H 5.500 . 5.500 4.797 3.959 5.325 . 0 0 "[ . 1 . 2]" 1
976 1 74 ARG HG3 1 75 LEU H 5.500 . 5.500 4.646 3.897 5.174 . 0 0 "[ . 1 . 2]" 1
977 1 75 LEU H 1 75 LEU HB2 3.950 . 3.950 2.292 2.122 2.485 . 0 0 "[ . 1 . 2]" 1
978 1 75 LEU H 1 75 LEU HG 4.260 . 4.260 3.485 2.299 4.471 0.211 19 0 "[ . 1 . 2]" 1
979 1 75 LEU H 1 76 GLN H 4.230 . 4.230 2.661 2.556 2.748 . 0 0 "[ . 1 . 2]" 1
980 1 75 LEU HA 1 78 ARG H 4.910 . 4.910 3.568 3.144 4.112 . 0 0 "[ . 1 . 2]" 1
981 1 75 LEU HB2 1 76 GLN H 4.070 . 4.070 2.848 2.390 3.656 . 0 0 "[ . 1 . 2]" 1
982 1 75 LEU HB3 1 76 GLN H 4.820 . 4.820 3.263 2.358 3.826 . 0 0 "[ . 1 . 2]" 1
983 1 75 LEU MD1 1 76 GLN H 6.520 . 6.520 4.456 3.224 4.837 . 0 0 "[ . 1 . 2]" 1
984 1 75 LEU MD2 1 76 GLN H 6.520 . 6.520 4.470 3.404 4.719 . 0 0 "[ . 1 . 2]" 1
985 1 75 LEU HG 1 76 GLN H 5.500 . 5.500 4.805 4.278 5.255 . 0 0 "[ . 1 . 2]" 1
986 1 76 GLN H 1 76 GLN HB2 3.610 . 3.610 3.422 2.782 3.619 0.009 10 0 "[ . 1 . 2]" 1
987 1 76 GLN H 1 76 GLN HB3 3.790 . 3.790 2.873 2.541 3.587 . 0 0 "[ . 1 . 2]" 1
988 1 76 GLN H 1 76 GLN HG2 4.170 . 4.170 2.358 1.773 3.299 . 0 0 "[ . 1 . 2]" 1
989 1 76 GLN H 1 76 GLN QG 3.920 . 3.920 2.005 1.762 2.219 . 0 0 "[ . 1 . 2]" 1
990 1 76 GLN H 1 76 GLN HG3 4.170 . 4.170 2.750 1.839 3.494 . 0 0 "[ . 1 . 2]" 1
991 1 76 GLN H 1 77 GLN H 4.010 . 4.010 2.651 2.515 2.752 . 0 0 "[ . 1 . 2]" 1
992 1 76 GLN HA 1 78 ARG QB 5.950 . 5.950 4.779 4.347 5.343 . 0 0 "[ . 1 . 2]" 1
993 1 76 GLN HA 1 79 VAL H 5.000 . 5.000 3.562 3.110 4.338 . 0 0 "[ . 1 . 2]" 1
994 1 76 GLN HA 1 79 VAL QG 7.700 . 7.700 2.587 1.775 3.734 . 0 0 "[ . 1 . 2]" 1
995 1 76 GLN HA 1 100 MET ME 6.520 . 6.520 3.314 2.481 4.802 . 0 0 "[ . 1 . 2]" 1
996 1 76 GLN HB2 1 76 GLN HG2 2.990 . 2.990 2.903 2.604 2.997 0.007 16 0 "[ . 1 . 2]" 1
997 1 76 GLN HB2 1 76 GLN QG 2.620 . 2.620 2.323 2.127 2.478 . 0 0 "[ . 1 . 2]" 1
998 1 76 GLN HB2 1 76 GLN HG3 2.990 . 2.990 2.493 2.236 2.959 . 0 0 "[ . 1 . 2]" 1
999 1 76 GLN HB2 1 77 GLN H 3.580 . 3.580 3.369 2.268 3.758 0.178 4 0 "[ . 1 . 2]" 1
1000 1 76 GLN HB3 1 77 GLN H 3.950 . 3.950 3.916 3.595 4.078 0.128 17 0 "[ . 1 . 2]" 1
1001 1 76 GLN QG 1 77 GLN H 3.820 . 3.820 2.460 1.960 3.557 . 0 0 "[ . 1 . 2]" 1
1002 1 76 GLN HG2 1 77 GLN H 4.070 . 4.070 3.284 2.403 4.335 0.265 15 0 "[ . 1 . 2]" 1
1003 1 76 GLN HG3 1 77 GLN H 4.070 . 4.070 2.594 1.968 4.155 0.085 13 0 "[ . 1 . 2]" 1
1004 1 77 GLN H 1 77 GLN HB2 3.830 . 3.830 2.528 2.370 3.613 . 0 0 "[ . 1 . 2]" 1
1005 1 77 GLN H 1 77 GLN QB 3.600 . 3.600 2.318 2.205 2.462 . 0 0 "[ . 1 . 2]" 1
1006 1 77 GLN H 1 77 GLN HB3 3.830 . 3.830 2.964 2.425 3.610 . 0 0 "[ . 1 . 2]" 1
1007 1 77 GLN H 1 77 GLN HG2 5.220 . 5.220 3.902 2.316 4.618 . 0 0 "[ . 1 . 2]" 1
1008 1 77 GLN H 1 77 GLN QG 4.980 . 4.980 3.211 2.160 4.042 . 0 0 "[ . 1 . 2]" 1
1009 1 77 GLN H 1 77 GLN HG3 5.220 . 5.220 3.608 2.183 4.593 . 0 0 "[ . 1 . 2]" 1
1010 1 77 GLN H 1 78 ARG H 3.950 . 3.950 2.691 2.482 2.874 . 0 0 "[ . 1 . 2]" 1
1011 1 77 GLN H 1 79 VAL H 5.280 . 5.280 4.353 4.011 4.761 . 0 0 "[ . 1 . 2]" 1
1012 1 77 GLN HA 1 80 THR H 5.070 . 5.070 3.595 3.057 4.236 . 0 0 "[ . 1 . 2]" 1
1013 1 77 GLN HA 1 80 THR MG 6.360 . 6.360 3.789 2.346 5.074 . 0 0 "[ . 1 . 2]" 1
1014 1 77 GLN QB 1 78 ARG H 4.110 . 4.110 2.916 2.550 3.675 . 0 0 "[ . 1 . 2]" 1
1015 1 77 GLN HB2 1 78 ARG H 4.420 . 4.420 3.626 2.610 4.162 . 0 0 "[ . 1 . 2]" 1
1016 1 77 GLN HB3 1 78 ARG H 4.420 . 4.420 3.364 2.588 4.090 . 0 0 "[ . 1 . 2]" 1
1017 1 77 GLN HG2 1 78 ARG H 5.500 . 5.500 4.589 3.067 5.243 . 0 0 "[ . 1 . 2]" 1
1018 1 77 GLN HG3 1 78 ARG H 5.500 . 5.500 4.674 2.817 5.468 . 0 0 "[ . 1 . 2]" 1
1019 1 78 ARG H 1 78 ARG HB2 4.200 . 4.200 2.555 2.118 3.613 . 0 0 "[ . 1 . 2]" 1
1020 1 78 ARG H 1 78 ARG HB3 4.200 . 4.200 3.115 2.384 3.612 . 0 0 "[ . 1 . 2]" 1
1021 1 78 ARG H 1 78 ARG HG2 5.500 . 5.500 3.822 2.315 4.615 . 0 0 "[ . 1 . 2]" 1
1022 1 78 ARG H 1 78 ARG HG3 5.500 . 5.500 3.496 2.460 4.563 . 0 0 "[ . 1 . 2]" 1
1023 1 78 ARG H 1 79 VAL H 4.200 . 4.200 2.594 2.397 2.869 . 0 0 "[ . 1 . 2]" 1
1024 1 78 ARG HA 1 78 ARG HD2 5.500 . 5.500 4.082 2.211 5.528 0.028 4 0 "[ . 1 . 2]" 1
1025 1 78 ARG HA 1 78 ARG HD3 5.500 . 5.500 3.822 1.965 4.811 . 0 0 "[ . 1 . 2]" 1
1026 1 78 ARG HA 1 81 ALA MB 5.840 . 5.840 2.806 2.128 3.227 . 0 0 "[ . 1 . 2]" 1
1027 1 78 ARG HA 1 82 ILE H 4.790 . 4.790 4.349 3.905 4.761 . 0 0 "[ . 1 . 2]" 1
1028 1 78 ARG HB2 1 79 VAL H 3.860 . 3.860 3.310 2.491 3.940 0.080 3 0 "[ . 1 . 2]" 1
1029 1 78 ARG HB2 1 82 ILE MD 6.520 . 6.520 4.547 3.814 5.540 . 0 0 "[ . 1 . 2]" 1
1030 1 78 ARG HB3 1 79 VAL H 3.860 . 3.860 3.359 2.413 3.953 0.093 4 0 "[ . 1 . 2]" 1
1031 1 78 ARG HB3 1 82 ILE MD 6.520 . 6.520 3.927 2.934 6.041 . 0 0 "[ . 1 . 2]" 1
1032 1 78 ARG HG2 1 79 VAL H 5.500 . 5.500 4.605 2.409 5.432 . 0 0 "[ . 1 . 2]" 1
1033 1 78 ARG HG3 1 79 VAL H 5.500 . 5.500 4.286 2.060 5.271 . 0 0 "[ . 1 . 2]" 1
1034 1 79 VAL H 1 79 VAL HB 3.760 . 3.760 2.791 2.504 3.670 . 0 0 "[ . 1 . 2]" 1
1035 1 79 VAL H 1 80 THR H 4.040 . 4.040 2.648 2.500 2.845 . 0 0 "[ . 1 . 2]" 1
1036 1 79 VAL HA 1 82 ILE HB 4.850 . 4.850 2.767 2.316 3.357 . 0 0 "[ . 1 . 2]" 1
1037 1 79 VAL HA 1 82 ILE MD 6.090 . 6.090 2.590 1.846 4.429 . 0 0 "[ . 1 . 2]" 1
1038 1 79 VAL HB 1 80 THR H 4.380 . 4.380 3.230 2.362 4.047 . 0 0 "[ . 1 . 2]" 1
1039 1 79 VAL HB 1 82 ILE HB 5.500 . 5.500 5.000 3.766 5.566 0.066 20 0 "[ . 1 . 2]" 1
1040 1 79 VAL QG 1 82 ILE MG 9.090 . 9.090 3.975 3.445 4.501 . 0 0 "[ . 1 . 2]" 1
1041 1 79 VAL QG 1 97 ALA MB 9.090 . 9.090 2.671 1.884 3.771 . 0 0 "[ . 1 . 2]" 1
1042 1 79 VAL QG 1 100 MET ME 7.040 . 7.040 2.734 1.965 3.644 . 0 0 "[ . 1 . 2]" 1
1043 1 79 VAL QG 1 100 MET QG 8.950 . 8.950 4.034 2.619 5.087 . 0 0 "[ . 1 . 2]" 1
1044 1 79 VAL MG1 1 80 THR H 6.520 . 6.520 3.291 2.216 4.007 . 0 0 "[ . 1 . 2]" 1
1045 1 79 VAL MG1 1 82 ILE MD 7.540 . 7.540 3.847 2.183 5.739 . 0 0 "[ . 1 . 2]" 1
1046 1 79 VAL MG1 1 100 MET ME 7.540 . 7.540 3.290 2.113 4.273 . 0 0 "[ . 1 . 2]" 1
1047 1 79 VAL MG2 1 80 THR H 6.520 . 6.520 3.484 2.185 3.950 . 0 0 "[ . 1 . 2]" 1
1048 1 79 VAL MG2 1 82 ILE MD 7.540 . 7.540 3.726 2.257 6.120 . 0 0 "[ . 1 . 2]" 1
1049 1 79 VAL MG2 1 100 MET ME 7.540 . 7.540 3.348 1.971 4.321 . 0 0 "[ . 1 . 2]" 1
1050 1 80 THR H 1 81 ALA H 4.140 . 4.140 2.630 2.517 2.763 . 0 0 "[ . 1 . 2]" 1
1051 1 80 THR H 1 97 ALA MB 6.520 . 6.520 4.125 3.129 5.465 . 0 0 "[ . 1 . 2]" 1
1052 1 80 THR HB 1 81 ALA H 5.160 . 5.160 3.200 2.512 4.101 . 0 0 "[ . 1 . 2]" 1
1053 1 80 THR HB 1 97 ALA MB 5.620 . 5.620 4.347 2.369 5.649 0.029 1 0 "[ . 1 . 2]" 1
1054 1 80 THR MG 1 81 ALA H 6.520 . 6.520 3.589 2.312 4.130 . 0 0 "[ . 1 . 2]" 1
1055 1 81 ALA H 1 82 ILE H 4.010 . 4.010 2.564 2.400 2.680 . 0 0 "[ . 1 . 2]" 1
1056 1 81 ALA HA 1 84 ARG QB 5.080 . 5.080 2.937 2.314 4.391 . 0 0 "[ . 1 . 2]" 1
1057 1 81 ALA HA 1 84 ARG QD 6.380 . 6.380 4.211 2.518 5.346 . 0 0 "[ . 1 . 2]" 1
1058 1 81 ALA MB 1 82 ILE HA 6.520 . 6.520 3.883 3.755 3.987 . 0 0 "[ . 1 . 2]" 1
1059 1 81 ALA MB 1 82 ILE MD 7.540 . 7.540 4.332 3.580 4.675 . 0 0 "[ . 1 . 2]" 1
1060 1 81 ALA MB 1 82 ILE QG 7.400 . 7.400 3.226 3.047 3.426 . 0 0 "[ . 1 . 2]" 1
1061 1 82 ILE H 1 82 ILE HB 3.790 . 3.790 2.557 2.394 2.689 . 0 0 "[ . 1 . 2]" 1
1062 1 82 ILE H 1 82 ILE HG12 5.500 . 5.500 3.091 1.910 3.567 . 0 0 "[ . 1 . 2]" 1
1063 1 82 ILE H 1 82 ILE QG 4.920 . 4.920 2.057 1.863 2.336 . 0 0 "[ . 1 . 2]" 1
1064 1 82 ILE H 1 82 ILE HG13 5.500 . 5.500 2.371 1.877 3.631 . 0 0 "[ . 1 . 2]" 1
1065 1 82 ILE H 1 83 MET H 4.140 . 4.140 2.677 2.443 2.782 . 0 0 "[ . 1 . 2]" 1
1066 1 82 ILE HB 1 83 MET H 4.970 . 4.970 2.534 2.217 2.845 . 0 0 "[ . 1 . 2]" 1
1067 1 82 ILE MG 1 85 TYR QB 7.400 . 7.400 3.823 3.299 4.593 . 0 0 "[ . 1 . 2]" 1
1068 1 82 ILE MG 1 86 ALA H 6.520 . 6.520 4.088 3.678 5.071 . 0 0 "[ . 1 . 2]" 1
1069 1 82 ILE MG 1 86 ALA MB 7.540 . 7.540 3.315 2.734 4.454 . 0 0 "[ . 1 . 2]" 1
1070 1 83 MET H 1 83 MET HB2 4.070 . 4.070 2.444 2.116 2.686 . 0 0 "[ . 1 . 2]" 1
1071 1 83 MET H 1 83 MET HB3 4.070 . 4.070 3.192 2.340 3.623 . 0 0 "[ . 1 . 2]" 1
1072 1 83 MET H 1 83 MET HG2 5.500 . 5.500 3.258 2.117 4.611 . 0 0 "[ . 1 . 2]" 1
1073 1 83 MET H 1 83 MET HG3 5.500 . 5.500 3.975 3.548 4.482 . 0 0 "[ . 1 . 2]" 1
1074 1 83 MET H 1 84 ARG H 4.170 . 4.170 2.691 2.516 2.824 . 0 0 "[ . 1 . 2]" 1
1075 1 83 MET HA 1 86 ALA H 4.690 . 4.690 3.326 3.040 3.703 . 0 0 "[ . 1 . 2]" 1
1076 1 83 MET HA 1 86 ALA MB 5.500 . 5.500 2.445 2.090 2.863 . 0 0 "[ . 1 . 2]" 1
1077 1 83 MET QB 1 87 VAL QG 8.790 . 8.790 3.643 2.766 4.558 . 0 0 "[ . 1 . 2]" 1
1078 1 83 MET HB2 1 84 ARG H 4.720 . 4.720 3.227 2.379 4.064 . 0 0 "[ . 1 . 2]" 1
1079 1 83 MET HB3 1 84 ARG H 4.720 . 4.720 3.319 2.665 3.917 . 0 0 "[ . 1 . 2]" 1
1080 1 83 MET ME 1 86 ALA MB 7.540 . 7.540 3.207 1.929 4.899 . 0 0 "[ . 1 . 2]" 1
1081 1 83 MET ME 1 87 VAL H 6.520 . 6.520 5.276 3.868 6.598 0.078 19 0 "[ . 1 . 2]" 1
1082 1 83 MET ME 1 95 ASN HA 6.520 . 6.520 4.545 2.339 6.232 . 0 0 "[ . 1 . 2]" 1
1083 1 83 MET ME 1 96 PRO HD2 6.390 . 6.390 3.163 1.648 4.580 . 0 0 "[ . 1 . 2]" 1
1084 1 83 MET ME 1 96 PRO QD 6.160 . 6.160 3.061 1.571 4.359 . 0 0 "[ . 1 . 2]" 1
1085 1 83 MET ME 1 96 PRO HD3 6.390 . 6.390 4.154 1.981 5.467 . 0 0 "[ . 1 . 2]" 1
1086 1 83 MET HG2 1 84 ARG H 5.500 . 5.500 4.377 3.498 5.268 . 0 0 "[ . 1 . 2]" 1
1087 1 83 MET HG3 1 84 ARG H 5.500 . 5.500 4.904 4.145 5.181 . 0 0 "[ . 1 . 2]" 1
1088 1 84 ARG H 1 84 ARG HG2 5.500 . 5.500 3.762 1.966 4.598 . 0 0 "[ . 1 . 2]" 1
1089 1 84 ARG H 1 84 ARG HG3 5.500 . 5.500 4.034 2.105 4.568 . 0 0 "[ . 1 . 2]" 1
1090 1 84 ARG H 1 85 TYR H 4.260 . 4.260 2.720 2.564 2.927 . 0 0 "[ . 1 . 2]" 1
1091 1 84 ARG H 1 87 VAL QG 8.070 . 8.070 4.364 4.162 4.741 . 0 0 "[ . 1 . 2]" 1
1092 1 84 ARG HA 1 84 ARG HD2 5.500 . 5.500 3.904 1.770 4.843 . 0 0 "[ . 1 . 2]" 1
1093 1 84 ARG HA 1 84 ARG HD3 5.500 . 5.500 3.806 1.761 5.512 0.012 19 0 "[ . 1 . 2]" 1
1094 1 84 ARG HA 1 86 ALA H 5.380 . 5.380 4.317 4.135 4.605 . 0 0 "[ . 1 . 2]" 1
1095 1 84 ARG HA 1 87 VAL H 4.570 . 4.570 3.483 3.093 3.889 . 0 0 "[ . 1 . 2]" 1
1096 1 84 ARG HA 1 87 VAL HB 4.110 . 4.110 3.131 2.477 4.136 0.026 4 0 "[ . 1 . 2]" 1
1097 1 84 ARG HA 1 87 VAL MG1 6.520 . 6.520 4.129 2.162 4.884 . 0 0 "[ . 1 . 2]" 1
1098 1 84 ARG HA 1 87 VAL QG 6.180 . 6.180 2.841 2.080 3.734 . 0 0 "[ . 1 . 2]" 1
1099 1 84 ARG HA 1 87 VAL MG2 6.520 . 6.520 3.133 2.084 4.928 . 0 0 "[ . 1 . 2]" 1
1100 1 84 ARG HA 1 95 ASN HD21 5.500 . 5.500 4.792 3.459 5.552 0.052 13 0 "[ . 1 . 2]" 1
1101 1 84 ARG HA 1 95 ASN HD22 5.500 . 5.500 4.253 2.588 5.510 0.010 18 0 "[ . 1 . 2]" 1
1102 1 84 ARG HB2 1 85 TYR H 4.290 . 4.290 3.512 2.467 3.945 . 0 0 "[ . 1 . 2]" 1
1103 1 84 ARG HB3 1 85 TYR H 4.290 . 4.290 2.985 2.178 4.099 . 0 0 "[ . 1 . 2]" 1
1104 1 84 ARG HG2 1 85 TYR H 5.500 . 5.500 4.175 2.784 5.193 . 0 0 "[ . 1 . 2]" 1
1105 1 84 ARG HG3 1 85 TYR H 5.500 . 5.500 4.384 2.263 5.104 . 0 0 "[ . 1 . 2]" 1
1106 1 85 TYR H 1 85 TYR HB2 4.170 . 4.170 2.423 2.273 2.648 . 0 0 "[ . 1 . 2]" 1
1107 1 85 TYR H 1 85 TYR HB3 4.170 . 4.170 3.208 2.472 3.616 . 0 0 "[ . 1 . 2]" 1
1108 1 85 TYR H 1 86 ALA H 4.110 . 4.110 2.540 2.412 2.657 . 0 0 "[ . 1 . 2]" 1
1109 1 85 TYR HA 1 88 GLN H 5.160 . 5.160 3.294 2.997 3.764 . 0 0 "[ . 1 . 2]" 1
1110 1 85 TYR HA 1 88 GLN HB2 4.350 . 4.350 2.952 2.153 4.368 0.018 18 0 "[ . 1 . 2]" 1
1111 1 85 TYR HA 1 88 GLN HB3 4.350 . 4.350 3.289 2.383 4.392 0.042 19 0 "[ . 1 . 2]" 1
1112 1 85 TYR HB2 1 86 ALA H 4.880 . 4.880 3.254 2.627 3.981 . 0 0 "[ . 1 . 2]" 1
1113 1 85 TYR HB3 1 86 ALA H 4.880 . 4.880 3.332 2.559 3.928 . 0 0 "[ . 1 . 2]" 1
1114 1 85 TYR QD 1 86 ALA H 7.630 . 7.630 4.160 3.281 4.510 . 0 0 "[ . 1 . 2]" 1
1115 1 86 ALA H 1 87 VAL H 4.200 . 4.200 2.624 2.461 2.798 . 0 0 "[ . 1 . 2]" 1
1116 1 86 ALA H 1 87 VAL QG 8.070 . 8.070 3.989 3.700 4.206 . 0 0 "[ . 1 . 2]" 1
1117 1 86 ALA H 1 88 GLN H 5.250 . 5.250 4.006 3.817 4.458 . 0 0 "[ . 1 . 2]" 1
1118 1 86 ALA H 1 91 TYR QD 7.630 . 7.630 5.869 4.249 7.631 0.001 11 0 "[ . 1 . 2]" 1
1119 1 86 ALA H 1 92 ILE MD 6.520 . 6.520 4.431 3.957 5.442 . 0 0 "[ . 1 . 2]" 1
1120 1 86 ALA HA 1 88 GLN H 4.760 . 4.760 4.261 3.745 4.598 . 0 0 "[ . 1 . 2]" 1
1121 1 86 ALA HA 1 89 ASN H 4.910 . 4.910 3.590 3.026 4.048 . 0 0 "[ . 1 . 2]" 1
1122 1 86 ALA HA 1 91 TYR H 5.340 . 5.340 4.301 3.554 5.402 0.062 8 0 "[ . 1 . 2]" 1
1123 1 86 ALA HA 1 91 TYR QB 6.380 . 6.380 3.999 2.578 6.176 . 0 0 "[ . 1 . 2]" 1
1124 1 86 ALA HA 1 91 TYR QD 7.630 . 7.630 3.353 1.499 5.271 . 0 0 "[ . 1 . 2]" 1
1125 1 86 ALA HA 1 91 TYR QE 7.630 . 7.630 4.181 1.983 6.965 . 0 0 "[ . 1 . 2]" 1
1126 1 86 ALA MB 1 87 VAL MG1 7.540 . 7.540 4.936 4.310 5.224 . 0 0 "[ . 1 . 2]" 1
1127 1 86 ALA MB 1 87 VAL MG2 7.540 . 7.540 3.289 2.816 4.781 . 0 0 "[ . 1 . 2]" 1
1128 1 86 ALA MB 1 88 GLN H 6.520 . 6.520 4.468 4.257 4.689 . 0 0 "[ . 1 . 2]" 1
1129 1 86 ALA MB 1 91 TYR H 6.520 . 6.520 4.074 3.445 5.294 . 0 0 "[ . 1 . 2]" 1
1130 1 86 ALA MB 1 91 TYR HB2 6.520 . 6.520 3.890 2.225 6.566 0.046 3 0 "[ . 1 . 2]" 1
1131 1 86 ALA MB 1 91 TYR QB 6.350 . 6.350 3.400 2.196 5.811 . 0 0 "[ . 1 . 2]" 1
1132 1 86 ALA MB 1 91 TYR HB3 6.520 . 6.520 4.210 2.614 6.481 . 0 0 "[ . 1 . 2]" 1
1133 1 86 ALA MB 1 91 TYR QD 8.650 . 8.650 3.515 2.350 5.161 . 0 0 "[ . 1 . 2]" 1
1134 1 86 ALA MB 1 92 ILE H 6.520 . 6.520 3.867 2.934 5.284 . 0 0 "[ . 1 . 2]" 1
1135 1 86 ALA MB 1 92 ILE MD 7.540 . 7.540 2.313 1.931 3.053 . 0 0 "[ . 1 . 2]" 1
1136 1 86 ALA MB 1 92 ILE QG 7.400 . 7.400 2.772 2.039 4.062 . 0 0 "[ . 1 . 2]" 1
1137 1 86 ALA MB 1 92 ILE MG 7.540 . 7.540 2.773 1.737 4.348 . 0 0 "[ . 1 . 2]" 1
1138 1 87 VAL H 1 87 VAL HB 3.670 . 3.670 2.520 2.352 2.630 . 0 0 "[ . 1 . 2]" 1
1139 1 87 VAL H 1 88 GLN H 3.790 . 3.790 2.532 2.374 2.713 . 0 0 "[ . 1 . 2]" 1
1140 1 87 VAL H 1 92 ILE QG 6.380 . 6.380 3.896 3.000 5.093 . 0 0 "[ . 1 . 2]" 1
1141 1 87 VAL HA 1 90 ASP H 4.940 . 4.940 3.286 2.566 3.882 . 0 0 "[ . 1 . 2]" 1
1142 1 87 VAL HA 1 91 TYR QB 6.380 . 6.380 5.232 4.386 6.476 0.096 6 0 "[ . 1 . 2]" 1
1143 1 87 VAL HA 1 92 ILE H 4.260 . 4.260 3.594 2.909 4.249 . 0 0 "[ . 1 . 2]" 1
1144 1 87 VAL HA 1 92 ILE MD 6.520 . 6.520 3.413 2.519 4.586 . 0 0 "[ . 1 . 2]" 1
1145 1 87 VAL HA 1 92 ILE QG 6.380 . 6.380 2.856 2.223 4.118 . 0 0 "[ . 1 . 2]" 1
1146 1 87 VAL HB 1 88 GLN H 3.790 . 3.790 2.879 2.462 3.845 0.055 11 0 "[ . 1 . 2]" 1
1147 1 87 VAL HB 1 88 GLN HA 5.130 . 5.130 4.396 4.132 5.428 0.298 4 0 "[ . 1 . 2]" 1
1148 1 87 VAL QG 1 88 GLN H 5.470 . 5.470 3.202 2.287 3.539 . 0 0 "[ . 1 . 2]" 1
1149 1 87 VAL QG 1 88 GLN HA 7.510 . 7.510 3.449 2.750 3.822 . 0 0 "[ . 1 . 2]" 1
1150 1 87 VAL QG 1 88 GLN QB 8.950 . 8.950 4.184 3.139 4.824 . 0 0 "[ . 1 . 2]" 1
1151 1 87 VAL QG 1 88 GLN QG 8.950 . 8.950 4.620 3.111 5.488 . 0 0 "[ . 1 . 2]" 1
1152 1 87 VAL QG 1 89 ASN H 8.070 . 8.070 4.502 4.055 4.716 . 0 0 "[ . 1 . 2]" 1
1153 1 87 VAL QG 1 92 ILE H 8.070 . 8.070 4.158 3.794 4.706 . 0 0 "[ . 1 . 2]" 1
1154 1 87 VAL QG 1 92 ILE QG 7.520 . 7.520 2.536 2.116 2.867 . 0 0 "[ . 1 . 2]" 1
1155 1 87 VAL QG 1 94 SER H 8.070 . 8.070 4.534 2.690 5.674 . 0 0 "[ . 1 . 2]" 1
1156 1 87 VAL QG 1 94 SER HA 7.910 . 7.910 4.762 2.587 5.924 . 0 0 "[ . 1 . 2]" 1
1157 1 87 VAL QG 1 94 SER QB 8.020 . 8.020 5.225 3.927 6.376 . 0 0 "[ . 1 . 2]" 1
1158 1 87 VAL QG 1 95 ASN H 8.070 . 8.070 4.581 2.437 5.719 . 0 0 "[ . 1 . 2]" 1
1159 1 87 VAL QG 1 95 ASN HA 8.070 . 8.070 3.500 1.781 4.644 . 0 0 "[ . 1 . 2]" 1
1160 1 87 VAL QG 1 95 ASN QB 7.460 . 7.460 3.418 1.951 4.443 . 0 0 "[ . 1 . 2]" 1
1161 1 87 VAL QG 1 95 ASN QD 8.930 . 8.930 2.150 1.295 3.669 . 0 0 "[ . 1 . 2]" 1
1162 1 87 VAL QG 1 96 PRO QD 8.960 . 8.960 4.193 2.920 5.404 . 0 0 "[ . 1 . 2]" 1
1163 1 87 VAL MG1 1 88 GLN H 5.870 . 5.870 3.459 2.301 3.894 . 0 0 "[ . 1 . 2]" 1
1164 1 87 VAL MG1 1 90 ASP H 6.520 . 6.520 4.201 3.951 4.536 . 0 0 "[ . 1 . 2]" 1
1165 1 87 VAL MG1 1 91 TYR H 6.520 . 6.520 5.315 4.826 5.732 . 0 0 "[ . 1 . 2]" 1
1166 1 87 VAL MG1 1 94 SER HB2 9.620 . 9.620 7.228 5.130 9.170 . 0 0 "[ . 1 . 2]" 1
1167 1 87 VAL MG1 1 94 SER HB3 9.620 . 9.620 7.468 6.018 9.098 . 0 0 "[ . 1 . 2]" 1
1168 1 87 VAL MG1 1 95 ASN HB2 9.400 . 9.400 4.965 2.171 6.998 . 0 0 "[ . 1 . 2]" 1
1169 1 87 VAL MG1 1 95 ASN HB3 9.400 . 9.400 5.390 3.769 7.113 . 0 0 "[ . 1 . 2]" 1
1170 1 87 VAL MG2 1 88 GLN H 5.870 . 5.870 3.879 3.707 4.083 . 0 0 "[ . 1 . 2]" 1
1171 1 87 VAL MG2 1 90 ASP H 6.520 . 6.520 4.997 4.028 5.580 . 0 0 "[ . 1 . 2]" 1
1172 1 87 VAL MG2 1 91 TYR H 6.520 . 6.520 5.151 4.424 5.896 . 0 0 "[ . 1 . 2]" 1
1173 1 87 VAL MG2 1 94 SER HB2 9.620 . 9.620 6.137 4.306 7.687 . 0 0 "[ . 1 . 2]" 1
1174 1 87 VAL MG2 1 94 SER HB3 9.620 . 9.620 6.353 4.264 7.363 . 0 0 "[ . 1 . 2]" 1
1175 1 87 VAL MG2 1 95 ASN HB2 9.400 . 9.400 4.076 2.064 5.242 . 0 0 "[ . 1 . 2]" 1
1176 1 87 VAL MG2 1 95 ASN HB3 9.400 . 9.400 4.277 3.429 5.121 . 0 0 "[ . 1 . 2]" 1
1177 1 88 GLN H 1 88 GLN HB2 3.980 . 3.980 2.451 2.058 3.613 . 0 0 "[ . 1 . 2]" 1
1178 1 88 GLN H 1 88 GLN QB 3.740 . 3.740 2.258 2.035 2.435 . 0 0 "[ . 1 . 2]" 1
1179 1 88 GLN H 1 88 GLN HB3 3.980 . 3.980 2.901 2.449 3.607 . 0 0 "[ . 1 . 2]" 1
1180 1 88 GLN H 1 88 GLN HG2 5.470 . 5.470 3.946 2.312 4.605 . 0 0 "[ . 1 . 2]" 1
1181 1 88 GLN H 1 88 GLN QG 4.960 . 4.960 3.446 2.291 4.066 . 0 0 "[ . 1 . 2]" 1
1182 1 88 GLN H 1 88 GLN HG3 5.470 . 5.470 4.022 2.345 4.541 . 0 0 "[ . 1 . 2]" 1
1183 1 88 GLN H 1 89 ASN H 3.950 . 3.950 2.666 2.448 2.828 . 0 0 "[ . 1 . 2]" 1
1184 1 88 GLN QB 1 89 ASN QD 6.300 . 6.300 3.802 2.340 5.362 . 0 0 "[ . 1 . 2]" 1
1185 1 88 GLN HB2 1 89 ASN H 4.600 . 4.600 3.552 2.624 4.041 . 0 0 "[ . 1 . 2]" 1
1186 1 88 GLN HB2 1 89 ASN HD21 7.230 . 7.230 5.470 2.779 7.330 0.100 17 0 "[ . 1 . 2]" 1
1187 1 88 GLN HB2 1 89 ASN HD22 7.230 . 7.230 5.938 3.396 7.321 0.091 8 0 "[ . 1 . 2]" 1
1188 1 88 GLN HB3 1 89 ASN H 4.600 . 4.600 3.027 2.463 3.890 . 0 0 "[ . 1 . 2]" 1
1189 1 88 GLN HB3 1 89 ASN HD21 7.230 . 7.230 4.525 2.391 6.775 . 0 0 "[ . 1 . 2]" 1
1190 1 88 GLN HB3 1 89 ASN HD22 7.230 . 7.230 4.910 3.306 7.304 0.074 12 0 "[ . 1 . 2]" 1
1191 1 88 GLN HG2 1 89 ASN H 5.500 . 5.500 4.531 2.634 5.194 . 0 0 "[ . 1 . 2]" 1
1192 1 88 GLN HG3 1 89 ASN H 5.500 . 5.500 4.643 2.285 5.320 . 0 0 "[ . 1 . 2]" 1
1193 1 89 ASN H 1 89 ASN HB3 4.010 . 4.010 3.462 2.760 3.722 . 0 0 "[ . 1 . 2]" 1
1194 1 89 ASN H 1 89 ASN HD21 5.500 . 5.500 3.483 2.289 4.927 . 0 0 "[ . 1 . 2]" 1
1195 1 89 ASN H 1 89 ASN HD22 5.500 . 5.500 4.489 3.281 5.617 0.117 12 0 "[ . 1 . 2]" 1
1196 1 89 ASN H 1 90 ASP H 3.950 . 3.950 2.387 1.912 2.525 . 0 0 "[ . 1 . 2]" 1
1197 1 89 ASN H 1 90 ASP HA 5.000 . 5.000 4.570 4.106 4.763 . 0 0 "[ . 1 . 2]" 1
1198 1 89 ASN H 1 91 TYR H 5.130 . 5.130 4.076 3.415 4.872 . 0 0 "[ . 1 . 2]" 1
1199 1 89 ASN HA 1 89 ASN HD22 5.500 . 5.500 3.995 3.155 5.128 . 0 0 "[ . 1 . 2]" 1
1200 1 89 ASN HB2 1 90 ASP H 5.500 . 5.500 3.664 3.101 4.216 . 0 0 "[ . 1 . 2]" 1
1201 1 89 ASN HB2 1 91 TYR QD 7.630 . 7.630 3.243 2.011 4.677 . 0 0 "[ . 1 . 2]" 1
1202 1 89 ASN HB2 1 91 TYR QE 7.630 . 7.630 3.723 1.967 6.541 . 0 0 "[ . 1 . 2]" 1
1203 1 89 ASN HB3 1 90 ASP H 5.190 . 5.190 4.075 3.507 4.332 . 0 0 "[ . 1 . 2]" 1
1204 1 89 ASN HB3 1 91 TYR QD 7.630 . 7.630 3.348 1.536 5.085 . 0 0 "[ . 1 . 2]" 1
1205 1 89 ASN HB3 1 91 TYR QE 7.630 . 7.630 3.777 2.053 6.201 . 0 0 "[ . 1 . 2]" 1
1206 1 90 ASP H 1 91 TYR H 4.040 . 4.040 2.879 2.527 3.360 . 0 0 "[ . 1 . 2]" 1
1207 1 90 ASP HB2 1 91 TYR H 5.500 . 5.500 4.426 3.906 4.678 . 0 0 "[ . 1 . 2]" 1
1208 1 90 ASP HB3 1 91 TYR H 5.500 . 5.500 4.321 3.722 4.519 . 0 0 "[ . 1 . 2]" 1
1209 1 91 TYR H 1 92 ILE H 3.670 . 3.670 2.302 1.992 2.758 . 0 0 "[ . 1 . 2]" 1
1210 1 91 TYR H 1 92 ILE MG 6.520 . 6.520 4.233 3.586 4.771 . 0 0 "[ . 1 . 2]" 1
1211 1 91 TYR HB2 1 92 ILE H 5.040 . 5.040 3.409 2.526 4.430 . 0 0 "[ . 1 . 2]" 1
1212 1 91 TYR HB2 1 92 ILE MG 6.520 . 6.520 3.657 2.857 4.638 . 0 0 "[ . 1 . 2]" 1
1213 1 91 TYR HB3 1 92 ILE H 5.040 . 5.040 3.666 2.720 4.483 . 0 0 "[ . 1 . 2]" 1
1214 1 91 TYR HB3 1 92 ILE MG 6.520 . 6.520 3.579 2.850 4.995 . 0 0 "[ . 1 . 2]" 1
1215 1 91 TYR QD 1 92 ILE H 7.630 . 7.630 4.228 3.430 4.795 . 0 0 "[ . 1 . 2]" 1
1216 1 91 TYR QD 1 92 ILE MG 8.650 . 8.650 3.771 1.690 4.880 . 0 0 "[ . 1 . 2]" 1
1217 1 92 ILE H 1 92 ILE MD 5.840 . 5.840 3.647 1.447 4.000 . 0 0 "[ . 1 . 2]" 1
1218 1 92 ILE H 1 92 ILE HG12 5.500 . 5.500 2.126 1.852 2.576 . 0 0 "[ . 1 . 2]" 1
1219 1 92 ILE H 1 92 ILE HG13 5.500 . 5.500 2.897 2.299 3.689 . 0 0 "[ . 1 . 2]" 1
1220 1 92 ILE H 1 93 ASP H 5.220 . 5.220 3.613 1.878 4.573 . 0 0 "[ . 1 . 2]" 1
1221 1 92 ILE HB 1 93 ASP H 4.110 . 4.110 2.887 1.798 4.016 . 0 0 "[ . 1 . 2]" 1
1222 1 92 ILE HB 1 94 SER H 4.260 . 4.260 3.172 2.247 4.368 0.108 11 0 "[ . 1 . 2]" 1
1223 1 92 ILE HB 1 96 PRO QD 6.390 . 6.390 4.181 2.599 5.387 . 0 0 "[ . 1 . 2]" 1
1224 1 92 ILE MD 1 93 ASP H 6.520 . 6.520 4.094 2.874 4.817 . 0 0 "[ . 1 . 2]" 1
1225 1 92 ILE MD 1 94 SER H 6.520 . 6.520 3.933 3.178 4.538 . 0 0 "[ . 1 . 2]" 1
1226 1 92 ILE MD 1 96 PRO QD 7.410 . 7.410 2.860 2.210 3.765 . 0 0 "[ . 1 . 2]" 1
1227 1 92 ILE MD 1 96 PRO HG2 6.520 . 6.520 4.274 3.071 5.875 . 0 0 "[ . 1 . 2]" 1
1228 1 92 ILE MD 1 96 PRO QG 6.140 . 6.140 3.910 2.866 5.326 . 0 0 "[ . 1 . 2]" 1
1229 1 92 ILE MD 1 96 PRO HG3 6.520 . 6.520 4.563 3.410 6.095 . 0 0 "[ . 1 . 2]" 1
1230 1 92 ILE HG12 1 93 ASP H 5.500 . 5.500 4.030 2.129 5.055 . 0 0 "[ . 1 . 2]" 1
1231 1 92 ILE HG12 1 94 SER H 5.500 . 5.500 4.937 2.165 5.538 0.038 3 0 "[ . 1 . 2]" 1
1232 1 92 ILE HG13 1 93 ASP H 5.500 . 5.500 3.280 1.327 4.299 . 0 0 "[ . 1 . 2]" 1
1233 1 92 ILE HG13 1 94 SER H 5.500 . 5.500 3.572 2.146 4.251 . 0 0 "[ . 1 . 2]" 1
1234 1 92 ILE MG 1 93 ASP H 6.520 . 6.520 3.759 3.415 4.142 . 0 0 "[ . 1 . 2]" 1
1235 1 92 ILE MG 1 94 SER H 6.520 . 6.520 4.582 3.931 5.356 . 0 0 "[ . 1 . 2]" 1
1236 1 92 ILE MG 1 96 PRO HD2 6.520 . 6.520 4.921 3.095 6.550 0.030 16 0 "[ . 1 . 2]" 1
1237 1 92 ILE MG 1 96 PRO HD3 6.520 . 6.520 4.805 3.115 5.941 . 0 0 "[ . 1 . 2]" 1
1238 1 92 ILE MG 1 96 PRO HG2 6.520 . 6.520 5.063 2.533 6.532 0.012 5 0 "[ . 1 . 2]" 1
1239 1 92 ILE MG 1 96 PRO HG3 6.520 . 6.520 5.324 3.420 6.555 0.035 16 0 "[ . 1 . 2]" 1
1240 1 93 ASP H 1 94 SER H 4.010 . 4.010 2.587 1.896 3.731 . 0 0 "[ . 1 . 2]" 1
1241 1 93 ASP QB 1 94 SER H 4.340 . 4.340 2.993 1.906 3.993 . 0 0 "[ . 1 . 2]" 1
1242 1 93 ASP QB 1 94 SER QB 5.860 . 5.860 4.191 3.047 5.222 . 0 0 "[ . 1 . 2]" 1
1243 1 93 ASP HB2 1 94 SER H 4.510 . 4.510 3.821 2.702 4.590 0.080 16 0 "[ . 1 . 2]" 1
1244 1 93 ASP HB2 1 94 SER HB2 7.260 . 7.260 5.712 3.737 6.824 . 0 0 "[ . 1 . 2]" 1
1245 1 93 ASP HB2 1 94 SER HB3 7.260 . 7.260 6.271 4.053 7.476 0.216 3 0 "[ . 1 . 2]" 1
1246 1 93 ASP HB3 1 94 SER H 4.510 . 4.510 3.370 1.915 4.479 . 0 0 "[ . 1 . 2]" 1
1247 1 93 ASP HB3 1 94 SER HB2 7.260 . 7.260 4.935 3.503 6.387 . 0 0 "[ . 1 . 2]" 1
1248 1 93 ASP HB3 1 94 SER HB3 7.260 . 7.260 5.468 4.172 6.671 . 0 0 "[ . 1 . 2]" 1
1249 1 94 SER H 1 94 SER HB2 4.140 . 4.140 2.942 2.507 3.661 . 0 0 "[ . 1 . 2]" 1
1250 1 94 SER H 1 94 SER HB3 4.140 . 4.140 3.436 2.548 4.114 . 0 0 "[ . 1 . 2]" 1
1251 1 94 SER H 1 95 ASN H 5.500 . 5.500 4.099 1.673 4.657 . 0 0 "[ . 1 . 2]" 1
1252 1 94 SER HB2 1 95 ASN H 4.260 . 4.260 3.389 2.059 4.063 . 0 0 "[ . 1 . 2]" 1
1253 1 94 SER HB3 1 95 ASN H 4.260 . 4.260 3.105 1.805 4.217 . 0 0 "[ . 1 . 2]" 1
1254 1 95 ASN H 1 95 ASN HD21 5.500 . 5.500 4.662 2.638 5.117 . 0 0 "[ . 1 . 2]" 1
1255 1 95 ASN H 1 95 ASN HD22 5.500 . 5.500 5.391 4.274 5.852 0.352 6 0 "[ . 1 . 2]" 1
1256 1 95 ASN H 1 96 PRO QD 6.390 . 6.390 3.318 2.254 3.696 . 0 0 "[ . 1 . 2]" 1
1257 1 95 ASN QB 1 96 PRO QD 7.270 . 7.270 3.750 3.602 3.864 . 0 0 "[ . 1 . 2]" 1
1258 1 96 PRO QD 1 97 ALA H 5.260 . 5.260 3.501 2.027 4.798 . 0 0 "[ . 1 . 2]" 1
1259 1 96 PRO HD2 1 97 ALA H 5.500 . 5.500 3.683 2.040 5.382 . 0 0 "[ . 1 . 2]" 1
1260 1 96 PRO HD3 1 97 ALA H 5.500 . 5.500 4.649 3.524 5.624 0.124 15 0 "[ . 1 . 2]" 1
1261 1 96 PRO HG2 1 97 ALA H 5.500 . 5.500 3.994 2.721 4.642 . 0 0 "[ . 1 . 2]" 1
1262 1 96 PRO HG2 1 97 ALA MB 6.520 . 6.520 4.318 3.271 5.113 . 0 0 "[ . 1 . 2]" 1
1263 1 96 PRO HG3 1 97 ALA H 5.500 . 5.500 4.580 4.117 4.802 . 0 0 "[ . 1 . 2]" 1
1264 1 96 PRO HG3 1 97 ALA MB 6.520 . 6.520 5.380 4.708 5.865 . 0 0 "[ . 1 . 2]" 1
1265 1 97 ALA H 1 98 SER H 3.830 . 3.830 2.950 2.312 3.880 0.050 5 0 "[ . 1 . 2]" 1
1266 1 97 ALA HA 1 100 MET H 4.910 . 4.910 4.030 2.941 4.951 0.041 2 0 "[ . 1 . 2]" 1
1267 1 97 ALA HA 1 100 MET ME 6.360 . 6.360 4.548 2.800 6.110 . 0 0 "[ . 1 . 2]" 1
1268 1 97 ALA HA 1 100 MET HG2 5.500 . 5.500 3.799 2.262 5.555 0.055 11 0 "[ . 1 . 2]" 1
1269 1 97 ALA HA 1 100 MET HG3 5.500 . 5.500 3.389 1.911 5.052 . 0 0 "[ . 1 . 2]" 1
1270 1 97 ALA MB 1 100 MET H 6.520 . 6.520 4.559 3.781 5.616 . 0 0 "[ . 1 . 2]" 1
1271 1 97 ALA MB 1 100 MET ME 7.540 . 7.540 3.828 2.822 4.957 . 0 0 "[ . 1 . 2]" 1
1272 1 97 ALA MB 1 100 MET HG2 6.520 . 6.520 3.908 1.737 5.156 . 0 0 "[ . 1 . 2]" 1
1273 1 97 ALA MB 1 100 MET QG 6.310 . 6.310 3.201 1.725 4.158 . 0 0 "[ . 1 . 2]" 1
1274 1 97 ALA MB 1 100 MET HG3 6.520 . 6.520 3.589 2.222 4.971 . 0 0 "[ . 1 . 2]" 1
1275 1 98 SER H 1 98 SER HB2 4.110 . 4.110 2.838 2.464 3.520 . 0 0 "[ . 1 . 2]" 1
1276 1 98 SER H 1 98 SER QB 3.850 . 3.850 2.530 2.249 2.835 . 0 0 "[ . 1 . 2]" 1
1277 1 98 SER H 1 98 SER HB3 4.110 . 4.110 3.113 2.500 3.887 . 0 0 "[ . 1 . 2]" 1
1278 1 98 SER H 1 99 ASP H 4.450 . 4.450 2.815 1.975 4.510 0.060 18 0 "[ . 1 . 2]" 1
1279 1 98 SER QB 1 99 ASP QB 7.260 . 7.260 3.661 3.146 4.427 . 0 0 "[ . 1 . 2]" 1
1280 1 98 SER HB2 1 99 ASP H 4.880 . 4.880 3.412 2.023 4.170 . 0 0 "[ . 1 . 2]" 1
1281 1 98 SER HB3 1 99 ASP H 4.880 . 4.880 3.307 2.032 4.286 . 0 0 "[ . 1 . 2]" 1
1282 1 99 ASP H 1 100 MET H 4.200 . 4.200 2.791 2.071 3.889 . 0 0 "[ . 1 . 2]" 1
1283 1 99 ASP HB2 1 100 MET H 5.000 . 5.000 4.318 3.458 4.634 . 0 0 "[ . 1 . 2]" 1
1284 1 99 ASP HB3 1 100 MET H 5.000 . 5.000 3.712 1.904 4.493 . 0 0 "[ . 1 . 2]" 1
1285 1 100 MET H 1 100 MET HB2 3.700 . 3.700 2.962 2.383 3.798 0.098 2 0 "[ . 1 . 2]" 1
1286 1 100 MET H 1 100 MET HB3 3.700 . 3.700 3.075 2.464 3.779 0.079 1 0 "[ . 1 . 2]" 1
1287 1 100 MET H 1 100 MET HG2 5.440 . 5.440 3.865 1.841 4.883 . 0 0 "[ . 1 . 2]" 1
1288 1 100 MET H 1 100 MET QG 5.020 . 5.020 3.046 1.657 4.372 . 0 0 "[ . 1 . 2]" 1
1289 1 100 MET H 1 100 MET HG3 5.440 . 5.440 3.460 1.662 5.140 . 0 0 "[ . 1 . 2]" 1
1290 1 100 MET H 1 101 ALA H 3.950 . 3.950 2.594 1.693 4.009 0.059 15 0 "[ . 1 . 2]" 1
1291 1 100 MET QB 1 101 ALA H 4.460 . 4.460 3.066 2.219 4.007 . 0 0 "[ . 1 . 2]" 1
1292 1 100 MET HB2 1 101 ALA H 4.630 . 4.630 3.714 2.387 4.639 0.009 1 0 "[ . 1 . 2]" 1
1293 1 100 MET HB3 1 101 ALA H 4.630 . 4.630 3.546 2.240 4.578 . 0 0 "[ . 1 . 2]" 1
1294 1 100 MET HG2 1 101 ALA H 5.500 . 5.500 4.455 3.380 5.174 . 0 0 "[ . 1 . 2]" 1
1295 1 100 MET HG3 1 101 ALA H 5.500 . 5.500 4.249 2.634 5.493 . 0 0 "[ . 1 . 2]" 1
1296 1 101 ALA H 1 102 GLY H 4.350 . 4.350 3.656 2.593 4.458 0.108 13 0 "[ . 1 . 2]" 1
1297 1 101 ALA HA 1 104 LEU QD 8.070 . 8.070 4.833 2.951 6.826 . 0 0 "[ . 1 . 2]" 1
1298 1 101 ALA MB 1 102 GLY HA2 6.520 . 6.520 4.147 3.706 4.418 . 0 0 "[ . 1 . 2]" 1
1299 1 101 ALA MB 1 102 GLY HA3 6.520 . 6.520 4.690 4.073 5.060 . 0 0 "[ . 1 . 2]" 1
1300 1 102 GLY H 1 103 ALA H 4.420 . 4.420 3.829 1.830 4.512 0.092 1 0 "[ . 1 . 2]" 1
1301 1 102 GLY HA2 1 103 ALA MB 6.520 . 6.520 4.270 3.885 4.830 . 0 0 "[ . 1 . 2]" 1
1302 1 102 GLY HA3 1 103 ALA MB 6.520 . 6.520 4.218 3.817 4.858 . 0 0 "[ . 1 . 2]" 1
1303 1 103 ALA H 1 104 LEU H 3.980 . 3.980 3.658 1.940 4.108 0.128 16 0 "[ . 1 . 2]" 1
1304 1 104 LEU H 1 104 LEU HB2 3.700 . 3.700 3.254 2.259 3.904 0.204 7 0 "[ . 1 . 2]" 1
1305 1 104 LEU H 1 104 LEU HB3 3.700 . 3.700 3.027 2.622 3.596 . 0 0 "[ . 1 . 2]" 1
1306 1 104 LEU H 1 104 LEU HG 5.040 . 5.040 3.025 1.840 4.789 . 0 0 "[ . 1 . 2]" 1
1307 1 104 LEU H 1 105 SER H 3.790 . 3.790 2.657 1.706 3.976 0.186 7 0 "[ . 1 . 2]" 1
1308 1 104 LEU HB2 1 105 SER H 4.600 . 4.600 3.658 2.137 4.535 . 0 0 "[ . 1 . 2]" 1
1309 1 104 LEU HB3 1 105 SER H 4.600 . 4.600 3.690 1.804 4.564 . 0 0 "[ . 1 . 2]" 1
1310 1 104 LEU MD1 1 105 SER H 6.520 . 6.520 3.609 1.596 5.194 . 0 0 "[ . 1 . 2]" 1
1311 1 104 LEU MD2 1 105 SER H 6.520 . 6.520 4.034 2.449 5.031 . 0 0 "[ . 1 . 2]" 1
1312 1 104 LEU HG 1 105 SER H 5.500 . 5.500 3.583 1.431 4.785 . 0 0 "[ . 1 . 2]" 1
1313 1 105 SER H 1 105 SER HB2 3.760 . 3.760 3.034 2.506 3.772 0.012 10 0 "[ . 1 . 2]" 1
1314 1 105 SER H 1 105 SER HB3 3.760 . 3.760 3.170 2.477 3.895 0.135 2 0 "[ . 1 . 2]" 1
1315 1 105 SER H 1 106 THR H 2.550 . 2.550 2.427 1.969 2.625 0.075 16 0 "[ . 1 . 2]" 1
1316 1 105 SER HB2 1 106 THR H 4.820 . 4.820 3.808 2.201 4.614 . 0 0 "[ . 1 . 2]" 1
1317 1 105 SER HB3 1 106 THR H 4.820 . 4.820 3.627 1.876 4.521 . 0 0 "[ . 1 . 2]" 1
1318 1 106 THR H 1 107 THR H 4.140 . 4.140 4.005 2.489 4.351 0.211 6 0 "[ . 1 . 2]" 1
1319 1 106 THR HB 1 107 THR H 4.010 . 4.010 3.738 1.793 4.227 0.217 15 0 "[ . 1 . 2]" 1
1320 1 106 THR MG 1 107 THR H 6.460 . 6.460 3.647 2.559 4.402 . 0 0 "[ . 1 . 2]" 1
1321 1 107 THR H 1 108 LYS H 5.310 . 5.310 4.115 2.344 4.646 . 0 0 "[ . 1 . 2]" 1
1322 1 107 THR HB 1 108 LYS H 3.420 . 3.420 3.150 1.945 3.599 0.179 14 0 "[ . 1 . 2]" 1
1323 1 107 THR MG 1 108 LYS H 6.520 . 6.520 3.091 1.895 4.077 . 0 0 "[ . 1 . 2]" 1
1324 1 108 LYS H 1 108 LYS HB2 4.110 . 4.110 2.981 2.157 4.059 . 0 0 "[ . 1 . 2]" 1
1325 1 108 LYS H 1 108 LYS QB 3.900 . 3.900 2.687 2.132 3.428 . 0 0 "[ . 1 . 2]" 1
1326 1 108 LYS H 1 108 LYS HB3 4.110 . 4.110 3.381 2.517 4.146 0.036 20 0 "[ . 1 . 2]" 1
1327 1 108 LYS H 1 108 LYS HD2 5.500 . 5.500 4.644 3.086 5.776 0.276 17 0 "[ . 1 . 2]" 1
1328 1 108 LYS H 1 108 LYS HD3 5.500 . 5.500 4.946 3.809 5.804 0.304 10 0 "[ . 1 . 2]" 1
1329 1 108 LYS H 1 108 LYS HE2 5.500 . 5.500 4.471 2.865 5.632 0.132 6 0 "[ . 1 . 2]" 1
1330 1 108 LYS H 1 108 LYS HE3 5.500 . 5.500 4.511 1.944 5.630 0.130 13 0 "[ . 1 . 2]" 1
1331 1 108 LYS H 1 108 LYS HG2 5.440 . 5.440 4.053 2.720 5.177 . 0 0 "[ . 1 . 2]" 1
1332 1 108 LYS H 1 108 LYS HG3 5.440 . 5.440 4.240 2.996 5.008 . 0 0 "[ . 1 . 2]" 1
1333 1 108 LYS H 1 109 ALA H 4.230 . 4.230 4.160 3.152 4.494 0.264 8 0 "[ . 1 . 2]" 1
1334 1 108 LYS HA 1 108 LYS HD2 5.500 . 5.500 3.597 1.845 5.532 0.032 4 0 "[ . 1 . 2]" 1
1335 1 108 LYS HA 1 108 LYS HD3 5.500 . 5.500 3.727 1.579 5.527 0.027 11 0 "[ . 1 . 2]" 1
1336 1 108 LYS HA 1 108 LYS HE2 5.500 . 5.500 3.513 1.508 5.852 0.352 19 0 "[ . 1 . 2]" 1
1337 1 108 LYS HA 1 108 LYS HE3 5.500 . 5.500 3.753 1.488 5.581 0.081 19 0 "[ . 1 . 2]" 1
1338 1 108 LYS HA 1 109 ALA H 3.420 . 3.420 2.274 2.052 2.744 . 0 0 "[ . 1 . 2]" 1
1339 1 108 LYS HB2 1 108 LYS HE2 5.500 . 5.500 3.504 1.903 5.440 . 0 0 "[ . 1 . 2]" 1
1340 1 108 LYS HB2 1 108 LYS HE3 5.500 . 5.500 3.612 1.906 4.790 . 0 0 "[ . 1 . 2]" 1
1341 1 108 LYS HB2 1 109 ALA H 5.310 . 5.310 3.865 2.078 4.608 . 0 0 "[ . 1 . 2]" 1
1342 1 108 LYS HB3 1 108 LYS HE2 5.500 . 5.500 3.556 1.768 4.864 . 0 0 "[ . 1 . 2]" 1
1343 1 108 LYS HB3 1 108 LYS HE3 5.500 . 5.500 3.749 1.765 5.298 . 0 0 "[ . 1 . 2]" 1
1344 1 108 LYS HB3 1 109 ALA H 5.310 . 5.310 3.528 1.881 4.435 . 0 0 "[ . 1 . 2]" 1
1345 1 108 LYS HD2 1 109 ALA H 5.500 . 5.500 4.519 2.945 5.521 0.021 18 0 "[ . 1 . 2]" 1
1346 1 108 LYS HD3 1 109 ALA H 5.500 . 5.500 4.757 2.896 5.663 0.163 2 0 "[ . 1 . 2]" 1
1347 1 108 LYS HE2 1 109 ALA H 5.500 . 5.500 4.522 2.696 5.622 0.122 10 0 "[ . 1 . 2]" 1
1348 1 108 LYS HE3 1 109 ALA H 5.500 . 5.500 4.737 3.307 5.588 0.088 4 0 "[ . 1 . 2]" 1
1349 1 108 LYS HG2 1 109 ALA H 5.500 . 5.500 4.364 2.503 5.523 0.023 3 0 "[ . 1 . 2]" 1
1350 1 108 LYS HG3 1 109 ALA H 5.500 . 5.500 3.899 1.990 5.616 0.116 6 0 "[ . 1 . 2]" 1
1351 1 109 ALA H 1 110 ARG H 2.550 . 2.550 2.179 1.762 2.648 0.098 9 0 "[ . 1 . 2]" 1
1352 1 110 ARG H 1 110 ARG HB2 3.860 . 3.860 2.968 2.066 3.751 . 0 0 "[ . 1 . 2]" 1
1353 1 110 ARG H 1 110 ARG HB3 3.860 . 3.860 3.282 2.374 4.014 0.154 17 0 "[ . 1 . 2]" 1
1354 1 110 ARG H 1 110 ARG HD2 5.500 . 5.500 4.985 2.842 5.636 0.136 9 0 "[ . 1 . 2]" 1
1355 1 110 ARG H 1 110 ARG HD3 5.500 . 5.500 4.812 3.490 5.675 0.175 18 0 "[ . 1 . 2]" 1
1356 1 110 ARG H 1 110 ARG HG2 5.500 . 5.500 4.107 2.100 5.283 . 0 0 "[ . 1 . 2]" 1
1357 1 110 ARG H 1 110 ARG HG3 5.500 . 5.500 4.246 2.868 4.904 . 0 0 "[ . 1 . 2]" 1
1358 1 110 ARG H 1 111 HIS H 4.720 . 4.720 4.043 2.690 4.611 . 0 0 "[ . 1 . 2]" 1
1359 1 110 ARG HA 1 110 ARG HD2 5.500 . 5.500 3.508 1.921 4.793 . 0 0 "[ . 1 . 2]" 1
1360 1 110 ARG HA 1 110 ARG HD3 5.500 . 5.500 3.485 1.752 4.789 . 0 0 "[ . 1 . 2]" 1
1361 1 110 ARG HB2 1 111 HIS H 5.500 . 5.500 3.920 2.230 4.640 . 0 0 "[ . 1 . 2]" 1
1362 1 110 ARG HB3 1 111 HIS H 5.500 . 5.500 3.677 1.710 4.514 . 0 0 "[ . 1 . 2]" 1
1363 1 110 ARG HD2 1 111 HIS H 5.500 . 5.500 4.349 2.318 5.571 0.071 9 0 "[ . 1 . 2]" 1
1364 1 110 ARG HD3 1 111 HIS H 5.500 . 5.500 4.590 2.641 5.673 0.173 11 0 "[ . 1 . 2]" 1
1365 1 110 ARG HG2 1 111 HIS H 5.500 . 5.500 4.204 2.087 5.529 0.029 1 0 "[ . 1 . 2]" 1
1366 1 110 ARG HG3 1 111 HIS H 5.500 . 5.500 4.010 2.205 5.579 0.079 3 0 "[ . 1 . 2]" 1
1367 1 111 HIS H 1 111 HIS HD2 5.500 . 5.500 4.614 2.258 5.471 . 0 0 "[ . 1 . 2]" 1
1368 1 111 HIS H 1 112 TYR H 5.500 . 5.500 3.468 1.794 4.496 . 0 0 "[ . 1 . 2]" 1
1369 1 111 HIS HB2 1 112 TYR H 4.940 . 4.940 4.014 2.091 4.614 . 0 0 "[ . 1 . 2]" 1
1370 1 111 HIS HB3 1 112 TYR H 4.940 . 4.940 4.010 1.968 4.509 . 0 0 "[ . 1 . 2]" 1
1371 1 111 HIS HD2 1 112 TYR H 5.500 . 5.500 4.614 3.239 5.561 0.061 17 0 "[ . 1 . 2]" 1
1372 1 112 TYR QB 1 113 PRO QD 7.270 . 7.270 3.164 2.020 3.805 . 0 0 "[ . 1 . 2]" 1
1373 1 113 PRO HD2 1 114 LEU H 5.500 . 5.500 5.019 2.568 5.602 0.102 11 0 "[ . 1 . 2]" 1
1374 1 113 PRO HD3 1 114 LEU H 5.500 . 5.500 5.406 4.077 5.701 0.201 5 0 "[ . 1 . 2]" 1
1375 1 113 PRO HG2 1 114 LEU H 5.500 . 5.500 4.747 3.118 5.700 0.200 3 0 "[ . 1 . 2]" 1
1376 1 113 PRO HG3 1 114 LEU H 5.500 . 5.500 5.045 4.075 5.566 0.066 12 0 "[ . 1 . 2]" 1
1377 1 114 LEU H 1 114 LEU HG 5.500 . 5.500 3.986 1.827 4.823 . 0 0 "[ . 1 . 2]" 1
1378 1 114 LEU H 1 115 GLU H 2.550 . 2.550 2.377 1.724 2.756 0.206 8 0 "[ . 1 . 2]" 1
1379 1 114 LEU HA 1 115 GLU H 3.550 . 3.550 3.345 2.329 3.555 0.005 9 0 "[ . 1 . 2]" 1
1380 1 114 LEU QB 1 115 GLU H 4.450 . 4.450 2.849 1.862 3.988 . 0 0 "[ . 1 . 2]" 1
1381 1 114 LEU HB2 1 115 GLU H 4.690 . 4.690 3.705 2.375 4.634 . 0 0 "[ . 1 . 2]" 1
1382 1 114 LEU HB3 1 115 GLU H 4.690 . 4.690 3.162 1.870 4.387 . 0 0 "[ . 1 . 2]" 1
1383 1 114 LEU MD1 1 115 GLU H 6.520 . 6.520 4.298 2.672 5.423 . 0 0 "[ . 1 . 2]" 1
1384 1 114 LEU MD2 1 115 GLU H 6.520 . 6.520 4.225 2.482 5.504 . 0 0 "[ . 1 . 2]" 1
1385 1 114 LEU HG 1 115 GLU H 5.500 . 5.500 3.968 2.356 5.006 . 0 0 "[ . 1 . 2]" 1
1386 1 115 GLU H 1 115 GLU HB2 4.110 . 4.110 2.991 2.251 3.621 . 0 0 "[ . 1 . 2]" 1
1387 1 115 GLU H 1 115 GLU QB 3.870 . 3.870 2.741 2.201 3.349 . 0 0 "[ . 1 . 2]" 1
1388 1 115 GLU H 1 115 GLU HB3 4.110 . 4.110 3.430 2.397 4.083 . 0 0 "[ . 1 . 2]" 1
1389 1 115 GLU H 1 115 GLU HG2 5.500 . 5.500 4.045 2.104 5.300 . 0 0 "[ . 1 . 2]" 1
1390 1 115 GLU H 1 115 GLU HG3 5.500 . 5.500 3.847 1.963 5.261 . 0 0 "[ . 1 . 2]" 1
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