NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635128 |
6fbl   |
34220 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6fbl
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 1489
_Distance_constraint_stats_list.Viol_count 2248
_Distance_constraint_stats_list.Viol_total 2186.857
_Distance_constraint_stats_list.Viol_max 0.265
_Distance_constraint_stats_list.Viol_rms 0.0165
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0486
_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 GLY 0.543 0.123 18 0 "[ . 1 . 2]"
1 3 SER 0.543 0.123 18 0 "[ . 1 . 2]"
1 4 HIS 0.737 0.181 8 0 "[ . 1 . 2]"
1 5 MET 0.737 0.181 8 0 "[ . 1 . 2]"
1 6 LYS 1.116 0.218 4 0 "[ . 1 . 2]"
1 7 THR 3.660 0.218 4 0 "[ . 1 . 2]"
1 8 CYS 2.587 0.137 4 0 "[ . 1 . 2]"
1 9 VAL 1.066 0.070 1 0 "[ . 1 . 2]"
1 10 VAL 1.618 0.103 18 0 "[ . 1 . 2]"
1 11 GLU 3.191 0.186 11 0 "[ . 1 . 2]"
1 12 LYS 4.260 0.187 12 0 "[ . 1 . 2]"
1 13 ILE 2.572 0.128 4 0 "[ . 1 . 2]"
1 14 LYS 0.632 0.072 15 0 "[ . 1 . 2]"
1 15 GLN 2.678 0.145 15 0 "[ . 1 . 2]"
1 16 TRP 6.447 0.145 15 0 "[ . 1 . 2]"
1 17 ILE 5.609 0.173 7 0 "[ . 1 . 2]"
1 18 PRO 0.995 0.073 7 0 "[ . 1 . 2]"
1 19 THR 4.218 0.236 19 0 "[ . 1 . 2]"
1 20 THR 1.882 0.236 19 0 "[ . 1 . 2]"
1 21 GLU 3.341 0.112 20 0 "[ . 1 . 2]"
1 22 VAL 4.507 0.192 5 0 "[ . 1 . 2]"
1 23 GLY 0.651 0.192 5 0 "[ . 1 . 2]"
1 24 LYS 0.604 0.106 5 0 "[ . 1 . 2]"
1 25 ILE 4.823 0.200 15 0 "[ . 1 . 2]"
1 26 LEU 6.550 0.151 5 0 "[ . 1 . 2]"
1 27 GLY 1.471 0.113 17 0 "[ . 1 . 2]"
1 28 ASN 0.676 0.108 9 0 "[ . 1 . 2]"
1 29 ARG 0.574 0.108 9 0 "[ . 1 . 2]"
1 30 ALA 2.280 0.113 17 0 "[ . 1 . 2]"
1 31 ALA 0.955 0.149 15 0 "[ . 1 . 2]"
1 32 VAL 2.014 0.200 15 0 "[ . 1 . 2]"
1 33 LYS 1.629 0.087 14 0 "[ . 1 . 2]"
1 34 LYS 0.727 0.078 15 0 "[ . 1 . 2]"
1 35 HIS 1.670 0.118 5 0 "[ . 1 . 2]"
1 36 ILE 3.421 0.156 3 0 "[ . 1 . 2]"
1 37 GLU 1.372 0.099 5 0 "[ . 1 . 2]"
1 38 ARG 1.246 0.118 5 0 "[ . 1 . 2]"
1 39 GLN 4.929 0.111 9 0 "[ . 1 . 2]"
1 40 PHE 5.471 0.111 9 0 "[ . 1 . 2]"
1 41 ASN 1.671 0.106 14 0 "[ . 1 . 2]"
1 42 CYS 2.442 0.097 8 0 "[ . 1 . 2]"
1 43 VAL 1.051 0.072 11 0 "[ . 1 . 2]"
1 44 ILE 2.726 0.112 1 0 "[ . 1 . 2]"
1 45 THR 2.284 0.090 9 0 "[ . 1 . 2]"
1 46 VAL 2.005 0.152 9 0 "[ . 1 . 2]"
1 47 HIS 5.134 0.114 19 0 "[ . 1 . 2]"
1 48 THR 1.874 0.152 9 0 "[ . 1 . 2]"
1 49 GLU 0.536 0.137 13 0 "[ . 1 . 2]"
1 50 VAL 5.578 0.222 15 0 "[ . 1 . 2]"
1 51 GLN 1.143 0.154 4 0 "[ . 1 . 2]"
1 52 SER 3.987 0.222 15 0 "[ . 1 . 2]"
1 53 SER 1.195 0.125 13 0 "[ . 1 . 2]"
1 54 PHE 3.477 0.153 1 0 "[ . 1 . 2]"
1 55 GLY 0.745 0.129 6 0 "[ . 1 . 2]"
1 56 ALA 3.063 0.176 1 0 "[ . 1 . 2]"
1 57 THR 1.307 0.087 10 0 "[ . 1 . 2]"
1 58 PRO 1.160 0.080 14 0 "[ . 1 . 2]"
1 59 VAL 2.533 0.114 19 0 "[ . 1 . 2]"
1 60 GLU 2.829 0.187 12 0 "[ . 1 . 2]"
1 61 ILE 4.410 0.097 8 0 "[ . 1 . 2]"
1 62 VAL 3.233 0.186 11 0 "[ . 1 . 2]"
1 63 ALA 0.635 0.092 11 0 "[ . 1 . 2]"
1 64 GLN 1.025 0.174 1 0 "[ . 1 . 2]"
1 65 ASN 1.472 0.174 1 0 "[ . 1 . 2]"
1 66 LYS 1.283 0.102 2 0 "[ . 1 . 2]"
1 67 GLU 0.126 0.051 7 0 "[ . 1 . 2]"
1 68 GLN 0.616 0.096 1 0 "[ . 1 . 2]"
1 69 CYS 3.439 0.145 8 0 "[ . 1 . 2]"
1 70 GLN 5.413 0.176 7 0 "[ . 1 . 2]"
1 71 GLU 0.472 0.061 9 0 "[ . 1 . 2]"
1 72 ALA 0.496 0.055 7 0 "[ . 1 . 2]"
1 73 ARG 7.303 0.265 5 0 "[ . 1 . 2]"
1 74 ASN 7.011 0.265 5 0 "[ . 1 . 2]"
1 75 ALA 2.374 0.109 14 0 "[ . 1 . 2]"
1 76 VAL 3.005 0.153 9 0 "[ . 1 . 2]"
1 77 MET 10.767 0.181 16 0 "[ . 1 . 2]"
1 78 SER 0.221 0.160 15 0 "[ . 1 . 2]"
1 79 LEU 3.174 0.098 9 0 "[ . 1 . 2]"
1 80 MET 5.268 0.130 2 0 "[ . 1 . 2]"
1 81 GLN 2.405 0.180 14 0 "[ . 1 . 2]"
1 82 SER 1.069 0.180 14 0 "[ . 1 . 2]"
1 83 HIS 1.518 0.200 18 0 "[ . 1 . 2]"
1 84 GLN 0.323 0.146 19 0 "[ . 1 . 2]"
1 85 ASP 0.885 0.176 7 0 "[ . 1 . 2]"
1 86 LYS 0.885 0.176 7 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 GLY H 1 3 SER H . . 4.430 3.980 2.580 4.553 0.123 18 0 "[ . 1 . 2]" 1
2 1 2 GLY QA 1 3 SER H . . 3.150 2.461 2.253 2.990 . 0 0 "[ . 1 . 2]" 1
3 1 3 SER H 1 3 SER QB . . 3.560 2.607 2.219 3.230 . 0 0 "[ . 1 . 2]" 1
4 1 3 SER HA 1 4 HIS H . . 3.560 2.605 2.247 3.427 . 0 0 "[ . 1 . 2]" 1
5 1 3 SER QB 1 4 HIS H . . 4.920 3.223 2.316 3.855 . 0 0 "[ . 1 . 2]" 1
6 1 4 HIS H 1 5 MET H . . 4.450 3.598 2.538 4.631 0.181 8 0 "[ . 1 . 2]" 1
7 1 4 HIS HA 1 5 MET H . . 3.680 2.833 2.272 3.443 . 0 0 "[ . 1 . 2]" 1
8 1 4 HIS QB 1 5 MET H . . 4.470 3.075 2.211 4.071 . 0 0 "[ . 1 . 2]" 1
9 1 5 MET H 1 5 MET QG . . 4.220 3.213 1.833 4.179 . 0 0 "[ . 1 . 2]" 1
10 1 5 MET H 1 6 LYS H . . 3.190 2.569 1.790 2.823 . 0 0 "[ . 1 . 2]" 1
11 1 5 MET HA 1 6 LYS H . . 3.640 3.321 2.706 3.564 . 0 0 "[ . 1 . 2]" 1
12 1 5 MET QG 1 6 LYS H . . 5.010 4.167 3.141 4.824 . 0 0 "[ . 1 . 2]" 1
13 1 6 LYS H 1 6 LYS QB . . 3.430 2.705 2.195 3.354 . 0 0 "[ . 1 . 2]" 1
14 1 6 LYS H 1 6 LYS QG . . 4.500 3.303 1.888 4.144 . 0 0 "[ . 1 . 2]" 1
15 1 6 LYS H 1 7 THR H . . 4.530 3.710 2.040 4.648 0.118 13 0 "[ . 1 . 2]" 1
16 1 6 LYS HA 1 6 LYS QD . . 4.980 3.999 2.195 4.545 . 0 0 "[ . 1 . 2]" 1
17 1 6 LYS HA 1 7 THR H . . 3.020 2.581 2.208 3.238 0.218 4 0 "[ . 1 . 2]" 1
18 1 6 LYS QB 1 6 LYS QE . . 4.200 2.781 1.926 3.749 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS QB 1 7 THR H . . 4.550 3.532 2.348 4.082 . 0 0 "[ . 1 . 2]" 1
20 1 7 THR H 1 7 THR MG . . 4.010 2.688 1.804 3.718 . 0 0 "[ . 1 . 2]" 1
21 1 7 THR H 1 8 CYS H . . 4.550 4.643 4.492 4.687 0.137 4 0 "[ . 1 . 2]" 1
22 1 7 THR HA 1 7 THR MG . . 3.330 2.423 2.167 2.640 . 0 0 "[ . 1 . 2]" 1
23 1 7 THR HA 1 8 CYS H . . 2.740 2.320 2.171 2.442 . 0 0 "[ . 1 . 2]" 1
24 1 7 THR HA 1 8 CYS QB . . 4.630 4.226 3.794 4.491 . 0 0 "[ . 1 . 2]" 1
25 1 7 THR HA 1 9 VAL H . . 4.810 3.950 3.782 4.747 . 0 0 "[ . 1 . 2]" 1
26 1 7 THR HB 1 8 CYS H . . 3.990 2.901 2.391 3.747 . 0 0 "[ . 1 . 2]" 1
27 1 7 THR HB 1 9 VAL H . . 3.770 2.801 2.390 3.705 . 0 0 "[ . 1 . 2]" 1
28 1 7 THR HB 1 9 VAL QG . . 3.540 2.631 2.122 3.436 . 0 0 "[ . 1 . 2]" 1
29 1 7 THR MG 1 8 CYS H . . 4.150 3.175 1.886 4.023 . 0 0 "[ . 1 . 2]" 1
30 1 7 THR MG 1 9 VAL QG . . 3.250 2.958 2.047 3.320 0.070 1 0 "[ . 1 . 2]" 1
31 1 8 CYS H 1 8 CYS QB . . 3.220 2.480 2.194 2.733 . 0 0 "[ . 1 . 2]" 1
32 1 8 CYS H 1 9 VAL H . . 3.340 2.489 1.843 2.851 . 0 0 "[ . 1 . 2]" 1
33 1 8 CYS H 1 9 VAL HB . . 5.220 4.688 3.608 5.247 0.027 11 0 "[ . 1 . 2]" 1
34 1 8 CYS H 1 9 VAL QG . . 4.480 3.516 2.742 4.215 . 0 0 "[ . 1 . 2]" 1
35 1 8 CYS HA 1 9 VAL H . . 3.570 3.284 2.576 3.466 . 0 0 "[ . 1 . 2]" 1
36 1 8 CYS HA 1 9 VAL QG . . 4.720 4.581 4.000 4.756 0.036 4 0 "[ . 1 . 2]" 1
37 1 8 CYS QB 1 9 VAL H . . 4.110 3.606 3.112 4.058 . 0 0 "[ . 1 . 2]" 1
38 1 8 CYS QB 1 9 VAL QG . . 4.850 4.240 3.471 4.910 0.060 17 0 "[ . 1 . 2]" 1
39 1 8 CYS QB 1 10 VAL MG1 . . 5.500 4.624 4.277 5.117 . 0 0 "[ . 1 . 2]" 1
40 1 8 CYS QB 1 10 VAL MG2 . . 5.500 5.498 5.345 5.553 0.053 4 0 "[ . 1 . 2]" 1
41 1 9 VAL H 1 9 VAL HB . . 3.570 2.524 2.417 2.637 . 0 0 "[ . 1 . 2]" 1
42 1 9 VAL H 1 9 VAL QG . . 3.060 2.048 1.897 2.221 . 0 0 "[ . 1 . 2]" 1
43 1 9 VAL H 1 10 VAL H . . 4.690 4.656 4.631 4.675 . 0 0 "[ . 1 . 2]" 1
44 1 9 VAL H 1 10 VAL HA . . 6.000 5.597 5.534 5.709 . 0 0 "[ . 1 . 2]" 1
45 1 9 VAL H 1 10 VAL MG1 . . 4.420 4.395 4.266 4.455 0.035 17 0 "[ . 1 . 2]" 1
46 1 9 VAL HA 1 10 VAL H . . 2.610 2.245 2.178 2.283 . 0 0 "[ . 1 . 2]" 1
47 1 9 VAL HA 1 10 VAL MG1 . . 4.440 3.512 3.341 3.752 . 0 0 "[ . 1 . 2]" 1
48 1 9 VAL HA 1 10 VAL MG2 . . 3.760 3.554 3.337 3.784 0.024 8 0 "[ . 1 . 2]" 1
49 1 9 VAL HB 1 10 VAL H . . 4.460 3.989 3.819 4.108 . 0 0 "[ . 1 . 2]" 1
50 1 9 VAL QG 1 10 VAL H . . 3.390 2.247 2.138 2.440 . 0 0 "[ . 1 . 2]" 1
51 1 10 VAL H 1 10 VAL HB . . 3.970 3.913 3.873 3.965 . 0 0 "[ . 1 . 2]" 1
52 1 10 VAL H 1 10 VAL MG1 . . 3.560 3.073 2.950 3.234 . 0 0 "[ . 1 . 2]" 1
53 1 10 VAL H 1 10 VAL MG2 . . 2.920 2.351 2.277 2.456 . 0 0 "[ . 1 . 2]" 1
54 1 10 VAL H 1 11 GLU H . . 4.590 4.404 4.375 4.456 . 0 0 "[ . 1 . 2]" 1
55 1 10 VAL HA 1 10 VAL MG1 . . 3.070 2.395 2.317 2.477 . 0 0 "[ . 1 . 2]" 1
56 1 10 VAL HA 1 10 VAL MG2 . . 3.280 3.233 3.218 3.246 . 0 0 "[ . 1 . 2]" 1
57 1 10 VAL HA 1 11 GLU H . . 2.860 2.324 2.255 2.414 . 0 0 "[ . 1 . 2]" 1
58 1 10 VAL HA 1 11 GLU HB2 . . 4.910 4.553 4.344 4.759 . 0 0 "[ . 1 . 2]" 1
59 1 10 VAL HA 1 62 VAL MG1 . . 4.840 4.309 4.038 4.468 . 0 0 "[ . 1 . 2]" 1
60 1 10 VAL HA 1 63 ALA H . . 5.500 4.753 4.507 5.021 . 0 0 "[ . 1 . 2]" 1
61 1 10 VAL HB 1 11 GLU H . . 3.290 2.603 2.475 2.698 . 0 0 "[ . 1 . 2]" 1
62 1 10 VAL HB 1 62 VAL HA . . 4.870 4.421 4.294 4.503 . 0 0 "[ . 1 . 2]" 1
63 1 10 VAL HB 1 62 VAL MG1 . . 3.000 2.319 2.084 2.484 . 0 0 "[ . 1 . 2]" 1
64 1 10 VAL HB 1 63 ALA H . . 3.990 3.192 2.997 3.370 . 0 0 "[ . 1 . 2]" 1
65 1 10 VAL MG1 1 11 GLU H . . 4.140 3.796 3.667 3.933 . 0 0 "[ . 1 . 2]" 1
66 1 10 VAL MG1 1 62 VAL HA . . 5.500 5.530 5.411 5.603 0.103 18 0 "[ . 1 . 2]" 1
67 1 10 VAL MG1 1 63 ALA H . . 4.720 4.531 4.258 4.712 . 0 0 "[ . 1 . 2]" 1
68 1 10 VAL MG1 1 64 GLN QG . . 5.310 4.514 3.590 5.334 0.024 11 0 "[ . 1 . 2]" 1
69 1 10 VAL MG2 1 11 GLU H . . 3.820 3.552 3.428 3.708 . 0 0 "[ . 1 . 2]" 1
70 1 10 VAL MG2 1 12 LYS QD . . 4.700 3.855 3.048 4.257 . 0 0 "[ . 1 . 2]" 1
71 1 10 VAL MG2 1 12 LYS QE . . 4.360 3.493 2.785 4.445 0.085 12 0 "[ . 1 . 2]" 1
72 1 10 VAL MG2 1 12 LYS HG2 . . 4.400 4.019 3.251 4.468 0.068 8 0 "[ . 1 . 2]" 1
73 1 10 VAL MG2 1 62 VAL HA . . 5.150 4.213 4.055 4.446 . 0 0 "[ . 1 . 2]" 1
74 1 10 VAL MG2 1 62 VAL MG1 . . 2.400 2.089 2.009 2.259 . 0 0 "[ . 1 . 2]" 1
75 1 10 VAL MG2 1 63 ALA H . . 4.880 4.047 3.889 4.254 . 0 0 "[ . 1 . 2]" 1
76 1 11 GLU H 1 11 GLU HB2 . . 3.610 2.395 2.285 2.581 . 0 0 "[ . 1 . 2]" 1
77 1 11 GLU H 1 11 GLU HB3 . . 3.750 3.287 2.341 3.603 . 0 0 "[ . 1 . 2]" 1
78 1 11 GLU H 1 11 GLU QG . . 4.010 2.858 2.303 4.017 0.007 19 0 "[ . 1 . 2]" 1
79 1 11 GLU H 1 62 VAL HA . . 5.020 4.675 4.387 4.944 . 0 0 "[ . 1 . 2]" 1
80 1 11 GLU H 1 62 VAL MG1 . . 4.550 3.721 3.343 3.923 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLU H 1 63 ALA H . . 3.800 3.033 2.755 3.310 . 0 0 "[ . 1 . 2]" 1
82 1 11 GLU H 1 63 ALA MB . . 4.790 4.143 3.915 4.326 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLU H 1 65 ASN H . . 5.100 4.418 4.236 4.759 . 0 0 "[ . 1 . 2]" 1
84 1 11 GLU HA 1 12 LYS H . . 2.790 2.342 2.257 2.393 . 0 0 "[ . 1 . 2]" 1
85 1 11 GLU HA 1 12 LYS QB . . 5.200 4.096 3.869 4.309 . 0 0 "[ . 1 . 2]" 1
86 1 11 GLU HB2 1 12 LYS H . . 4.160 3.878 3.730 4.052 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLU HB2 1 62 VAL MG1 . . 5.060 4.856 4.634 5.246 0.186 11 0 "[ . 1 . 2]" 1
88 1 11 GLU HB2 1 63 ALA H . . 4.730 3.420 2.997 4.237 . 0 0 "[ . 1 . 2]" 1
89 1 11 GLU HB2 1 65 ASN H . . 5.400 3.867 3.437 4.297 . 0 0 "[ . 1 . 2]" 1
90 1 11 GLU HB2 1 66 LYS HA . . 4.370 4.066 3.796 4.278 . 0 0 "[ . 1 . 2]" 1
91 1 11 GLU HB2 1 69 CYS H . . 5.500 4.990 4.662 5.569 0.069 19 0 "[ . 1 . 2]" 1
92 1 11 GLU HB2 1 69 CYS HB2 . . 4.990 3.229 2.717 4.016 . 0 0 "[ . 1 . 2]" 1
93 1 11 GLU HB2 1 69 CYS HB3 . . 4.880 4.200 3.772 4.762 . 0 0 "[ . 1 . 2]" 1
94 1 11 GLU HB3 1 12 LYS H . . 3.850 2.925 2.516 3.885 0.035 18 0 "[ . 1 . 2]" 1
95 1 11 GLU HB3 1 63 ALA H . . 4.860 3.991 2.482 4.580 . 0 0 "[ . 1 . 2]" 1
96 1 11 GLU HB3 1 63 ALA MB . . 4.310 3.925 2.851 4.361 0.051 17 0 "[ . 1 . 2]" 1
97 1 11 GLU HB3 1 65 ASN H . . 5.500 4.964 3.753 5.519 0.019 2 0 "[ . 1 . 2]" 1
98 1 11 GLU HB3 1 66 LYS HA . . 4.460 3.897 3.583 4.471 0.011 18 0 "[ . 1 . 2]" 1
99 1 11 GLU HB3 1 69 CYS H . . 5.250 5.205 4.632 5.395 0.145 8 0 "[ . 1 . 2]" 1
100 1 11 GLU HB3 1 69 CYS HB2 . . 4.580 3.320 2.681 3.584 . 0 0 "[ . 1 . 2]" 1
101 1 11 GLU HB3 1 69 CYS HB3 . . 4.830 3.787 3.522 4.040 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLU QG 1 12 LYS H . . 4.250 3.836 2.393 4.380 0.130 2 0 "[ . 1 . 2]" 1
103 1 11 GLU QG 1 65 ASN HA . . 4.580 2.792 2.056 4.617 0.037 15 0 "[ . 1 . 2]" 1
104 1 11 GLU QG 1 66 LYS H . . 4.260 2.956 2.451 4.034 . 0 0 "[ . 1 . 2]" 1
105 1 11 GLU QG 1 66 LYS HA . . 4.350 3.074 2.457 3.625 . 0 0 "[ . 1 . 2]" 1
106 1 11 GLU QG 1 66 LYS QD . . 4.700 4.319 3.871 4.687 . 0 0 "[ . 1 . 2]" 1
107 1 11 GLU QG 1 66 LYS HG2 . . 4.900 2.919 2.514 3.369 . 0 0 "[ . 1 . 2]" 1
108 1 11 GLU QG 1 66 LYS HG3 . . 4.260 2.623 2.219 3.402 . 0 0 "[ . 1 . 2]" 1
109 1 11 GLU QG 1 69 CYS H . . 5.360 4.716 3.903 5.299 . 0 0 "[ . 1 . 2]" 1
110 1 11 GLU QG 1 69 CYS HB2 . . 5.150 3.665 2.409 4.411 . 0 0 "[ . 1 . 2]" 1
111 1 11 GLU QG 1 69 CYS HB3 . . 5.450 3.984 2.334 4.844 . 0 0 "[ . 1 . 2]" 1
112 1 12 LYS H 1 12 LYS QB . . 3.260 2.707 2.673 2.810 . 0 0 "[ . 1 . 2]" 1
113 1 12 LYS H 1 12 LYS QD . . 5.120 4.756 4.694 4.863 . 0 0 "[ . 1 . 2]" 1
114 1 12 LYS H 1 12 LYS HG2 . . 4.650 4.469 4.186 4.661 0.011 8 0 "[ . 1 . 2]" 1
115 1 12 LYS H 1 12 LYS HG3 . . 4.110 3.752 3.384 4.171 0.061 8 0 "[ . 1 . 2]" 1
116 1 12 LYS H 1 13 ILE H . . 4.430 4.377 4.356 4.409 . 0 0 "[ . 1 . 2]" 1
117 1 12 LYS H 1 13 ILE MG . . 6.500 6.181 6.092 6.331 . 0 0 "[ . 1 . 2]" 1
118 1 12 LYS H 1 62 VAL HA . . 5.090 4.999 4.894 5.071 . 0 0 "[ . 1 . 2]" 1
119 1 12 LYS H 1 62 VAL MG1 . . 5.500 5.338 5.180 5.510 0.010 9 0 "[ . 1 . 2]" 1
120 1 12 LYS H 1 62 VAL MG2 . . 5.500 5.462 5.152 5.622 0.122 12 0 "[ . 1 . 2]" 1
121 1 12 LYS HA 1 12 LYS QD . . 4.590 3.960 3.884 4.176 . 0 0 "[ . 1 . 2]" 1
122 1 12 LYS HA 1 13 ILE H . . 2.940 2.184 2.146 2.232 . 0 0 "[ . 1 . 2]" 1
123 1 12 LYS HA 1 13 ILE HB . . 5.070 4.313 4.174 4.418 . 0 0 "[ . 1 . 2]" 1
124 1 12 LYS HA 1 13 ILE MG . . 5.500 5.393 5.343 5.426 . 0 0 "[ . 1 . 2]" 1
125 1 12 LYS HA 1 61 ILE H . . 4.950 4.129 4.048 4.225 . 0 0 "[ . 1 . 2]" 1
126 1 12 LYS HA 1 62 VAL MG2 . . 3.540 3.272 3.002 3.429 . 0 0 "[ . 1 . 2]" 1
127 1 12 LYS HA 1 63 ALA H . . 4.640 4.302 4.087 4.502 . 0 0 "[ . 1 . 2]" 1
128 1 12 LYS QB 1 12 LYS QE . . 4.200 3.228 1.911 3.685 . 0 0 "[ . 1 . 2]" 1
129 1 12 LYS QB 1 13 ILE H . . 4.120 2.768 2.507 2.916 . 0 0 "[ . 1 . 2]" 1
130 1 12 LYS QB 1 14 LYS H . . 5.500 5.342 5.240 5.452 . 0 0 "[ . 1 . 2]" 1
131 1 12 LYS QB 1 62 VAL HA . . 5.190 4.717 4.432 4.936 . 0 0 "[ . 1 . 2]" 1
132 1 12 LYS QB 1 62 VAL MG2 . . 4.070 3.922 3.633 4.032 . 0 0 "[ . 1 . 2]" 1
133 1 12 LYS QD 1 60 GLU HB3 . . 5.500 4.888 4.648 5.478 . 0 0 "[ . 1 . 2]" 1
134 1 12 LYS QD 1 60 GLU QG . . 5.170 5.063 4.872 5.245 0.075 2 0 "[ . 1 . 2]" 1
135 1 12 LYS QD 1 62 VAL MG2 . . 3.700 3.613 3.128 3.741 0.041 18 0 "[ . 1 . 2]" 1
136 1 12 LYS QE 1 60 GLU HB3 . . 4.360 4.135 2.760 4.449 0.089 11 0 "[ . 1 . 2]" 1
137 1 12 LYS QE 1 60 GLU QG . . 5.500 4.904 3.224 5.439 . 0 0 "[ . 1 . 2]" 1
138 1 12 LYS QE 1 62 VAL MG2 . . 3.870 2.449 2.186 2.729 . 0 0 "[ . 1 . 2]" 1
139 1 12 LYS HG2 1 13 ILE H . . 4.760 3.435 2.855 3.957 . 0 0 "[ . 1 . 2]" 1
140 1 12 LYS HG2 1 60 GLU HB3 . . 5.500 4.537 4.169 5.062 . 0 0 "[ . 1 . 2]" 1
141 1 12 LYS HG2 1 60 GLU QG . . 5.500 5.545 5.493 5.687 0.187 12 0 "[ . 1 . 2]" 1
142 1 12 LYS HG2 1 62 VAL MG2 . . 3.140 2.123 2.040 2.373 . 0 0 "[ . 1 . 2]" 1
143 1 12 LYS HG3 1 13 ILE H . . 5.210 4.584 4.191 4.949 . 0 0 "[ . 1 . 2]" 1
144 1 12 LYS HG3 1 62 VAL MG1 . . 4.040 3.304 3.089 3.535 . 0 0 "[ . 1 . 2]" 1
145 1 12 LYS HG3 1 62 VAL MG2 . . 4.210 2.954 2.382 3.677 . 0 0 "[ . 1 . 2]" 1
146 1 13 ILE H 1 13 ILE HB . . 3.200 2.760 2.676 2.824 . 0 0 "[ . 1 . 2]" 1
147 1 13 ILE H 1 13 ILE MD . . 4.440 4.408 4.310 4.456 0.016 7 0 "[ . 1 . 2]" 1
148 1 13 ILE H 1 13 ILE QG . . 4.260 3.238 3.129 3.339 . 0 0 "[ . 1 . 2]" 1
149 1 13 ILE H 1 13 ILE MG . . 4.100 3.848 3.766 3.903 . 0 0 "[ . 1 . 2]" 1
150 1 13 ILE H 1 14 LYS H . . 4.580 4.361 4.344 4.380 . 0 0 "[ . 1 . 2]" 1
151 1 13 ILE H 1 61 ILE H . . 3.590 2.633 2.509 2.727 . 0 0 "[ . 1 . 2]" 1
152 1 13 ILE H 1 61 ILE HB . . 4.750 3.233 3.079 3.438 . 0 0 "[ . 1 . 2]" 1
153 1 13 ILE H 1 62 VAL HA . . 4.310 4.299 4.176 4.345 0.035 16 0 "[ . 1 . 2]" 1
154 1 13 ILE HA 1 13 ILE MD . . 4.070 3.803 3.764 3.852 . 0 0 "[ . 1 . 2]" 1
155 1 13 ILE HA 1 13 ILE QG . . 3.890 2.338 2.255 2.422 . 0 0 "[ . 1 . 2]" 1
156 1 13 ILE HA 1 13 ILE MG . . 3.290 2.508 2.419 2.618 . 0 0 "[ . 1 . 2]" 1
157 1 13 ILE HA 1 14 LYS H . . 2.800 2.307 2.279 2.337 . 0 0 "[ . 1 . 2]" 1
158 1 13 ILE HB 1 14 LYS H . . 4.070 4.005 3.909 4.071 0.001 16 0 "[ . 1 . 2]" 1
159 1 13 ILE HB 1 61 ILE H . . 4.860 3.661 3.501 3.827 . 0 0 "[ . 1 . 2]" 1
160 1 13 ILE HB 1 61 ILE MD . . 3.510 2.810 2.661 2.935 . 0 0 "[ . 1 . 2]" 1
161 1 13 ILE HB 1 61 ILE HG13 . . 3.580 3.622 3.595 3.674 0.094 8 0 "[ . 1 . 2]" 1
162 1 13 ILE MD 1 14 LYS H . . 5.210 4.690 4.599 4.754 . 0 0 "[ . 1 . 2]" 1
163 1 13 ILE MD 1 61 ILE MD . . 3.050 3.063 3.015 3.079 0.029 4 0 "[ . 1 . 2]" 1
164 1 13 ILE MD 1 69 CYS H . . 5.320 4.690 4.526 4.866 . 0 0 "[ . 1 . 2]" 1
165 1 13 ILE MD 1 69 CYS HB2 . . 4.210 4.023 3.892 4.178 . 0 0 "[ . 1 . 2]" 1
166 1 13 ILE MD 1 69 CYS HB3 . . 3.720 2.746 2.595 2.993 . 0 0 "[ . 1 . 2]" 1
167 1 13 ILE MD 1 70 GLN H . . 4.230 3.499 3.261 3.672 . 0 0 "[ . 1 . 2]" 1
168 1 13 ILE MD 1 70 GLN HA . . 3.430 2.523 2.356 2.651 . 0 0 "[ . 1 . 2]" 1
169 1 13 ILE MD 1 70 GLN HE21 . . 4.750 3.053 2.887 3.454 . 0 0 "[ . 1 . 2]" 1
170 1 13 ILE MD 1 70 GLN HE22 . . 4.840 2.979 2.669 4.855 0.015 9 0 "[ . 1 . 2]" 1
171 1 13 ILE MD 1 70 GLN QG . . 4.270 2.737 2.093 3.038 . 0 0 "[ . 1 . 2]" 1
172 1 13 ILE MD 1 73 ARG H . . 3.910 3.857 3.726 3.933 0.023 11 0 "[ . 1 . 2]" 1
173 1 13 ILE MD 1 73 ARG HB2 . . 3.970 2.431 2.254 2.704 . 0 0 "[ . 1 . 2]" 1
174 1 13 ILE MD 1 73 ARG HB3 . . 3.920 3.050 2.850 3.355 . 0 0 "[ . 1 . 2]" 1
175 1 13 ILE MD 1 73 ARG QD . . 3.570 3.093 2.127 3.616 0.046 10 0 "[ . 1 . 2]" 1
176 1 13 ILE MD 1 73 ARG HH11 . . 5.440 4.395 3.033 5.440 0.000 9 0 "[ . 1 . 2]" 1
177 1 13 ILE MD 1 74 ASN H . . 5.050 5.046 4.913 5.104 0.054 9 0 "[ . 1 . 2]" 1
178 1 13 ILE QG 1 13 ILE MG . . 3.130 2.377 2.357 2.404 . 0 0 "[ . 1 . 2]" 1
179 1 13 ILE QG 1 14 LYS H . . 4.800 3.893 3.728 4.035 . 0 0 "[ . 1 . 2]" 1
180 1 13 ILE QG 1 61 ILE MD . . 4.670 4.327 4.259 4.391 . 0 0 "[ . 1 . 2]" 1
181 1 13 ILE QG 1 69 CYS HB2 . . 5.500 4.442 4.328 4.547 . 0 0 "[ . 1 . 2]" 1
182 1 13 ILE QG 1 69 CYS HB3 . . 3.800 3.532 3.371 3.699 . 0 0 "[ . 1 . 2]" 1
183 1 13 ILE MG 1 14 LYS H . . 3.350 2.218 2.144 2.291 . 0 0 "[ . 1 . 2]" 1
184 1 13 ILE MG 1 14 LYS HA . . 4.490 3.282 3.196 3.412 . 0 0 "[ . 1 . 2]" 1
185 1 13 ILE MG 1 15 GLN H . . 4.230 4.128 3.980 4.262 0.032 19 0 "[ . 1 . 2]" 1
186 1 13 ILE MG 1 15 GLN HA . . 4.960 4.865 4.702 4.950 . 0 0 "[ . 1 . 2]" 1
187 1 13 ILE MG 1 15 GLN QB . . 4.270 3.238 3.021 3.368 . 0 0 "[ . 1 . 2]" 1
188 1 13 ILE MG 1 61 ILE H . . 4.700 4.259 4.002 4.431 . 0 0 "[ . 1 . 2]" 1
189 1 13 ILE MG 1 61 ILE MD . . 3.600 2.669 2.364 2.879 . 0 0 "[ . 1 . 2]" 1
190 1 13 ILE MG 1 70 GLN HA . . 5.180 4.305 4.059 4.469 . 0 0 "[ . 1 . 2]" 1
191 1 13 ILE MG 1 73 ARG HA . . 4.900 4.101 3.898 4.312 . 0 0 "[ . 1 . 2]" 1
192 1 13 ILE MG 1 73 ARG HB2 . . 3.860 2.494 2.315 2.718 . 0 0 "[ . 1 . 2]" 1
193 1 13 ILE MG 1 73 ARG QD . . 3.610 2.148 1.924 2.432 . 0 0 "[ . 1 . 2]" 1
194 1 13 ILE MG 1 73 ARG QG . . 3.210 2.502 2.241 2.884 . 0 0 "[ . 1 . 2]" 1
195 1 13 ILE MG 1 73 ARG HH11 . . 4.670 3.550 1.862 4.798 0.128 4 0 "[ . 1 . 2]" 1
196 1 13 ILE MG 1 74 ASN H . . 6.000 5.724 5.538 5.863 . 0 0 "[ . 1 . 2]" 1
197 1 14 LYS H 1 14 LYS QB . . 3.130 2.659 2.622 2.698 . 0 0 "[ . 1 . 2]" 1
198 1 14 LYS H 1 14 LYS QG . . 5.050 4.101 4.033 4.352 . 0 0 "[ . 1 . 2]" 1
199 1 14 LYS H 1 15 GLN H . . 4.620 4.322 4.247 4.370 . 0 0 "[ . 1 . 2]" 1
200 1 14 LYS HA 1 15 GLN H . . 2.970 2.214 2.173 2.236 . 0 0 "[ . 1 . 2]" 1
201 1 14 LYS HA 1 61 ILE H . . 4.170 3.962 3.849 4.069 . 0 0 "[ . 1 . 2]" 1
202 1 14 LYS QB 1 14 LYS QE . . 4.180 3.063 1.937 3.688 . 0 0 "[ . 1 . 2]" 1
203 1 14 LYS QB 1 15 GLN H . . 4.670 3.697 3.643 3.771 . 0 0 "[ . 1 . 2]" 1
204 1 14 LYS QB 1 60 GLU QG . . 5.410 2.674 2.377 4.501 . 0 0 "[ . 1 . 2]" 1
205 1 14 LYS QD 1 16 TRP HE1 . . 4.580 4.545 3.320 4.652 0.072 15 0 "[ . 1 . 2]" 1
206 1 14 LYS QE 1 16 TRP HE1 . . 5.070 3.835 2.820 4.995 . 0 0 "[ . 1 . 2]" 1
207 1 14 LYS QE 1 16 TRP HZ2 . . 5.180 3.932 3.200 5.246 0.066 16 0 "[ . 1 . 2]" 1
208 1 14 LYS QG 1 15 GLN H . . 4.190 2.541 2.428 2.805 . 0 0 "[ . 1 . 2]" 1
209 1 14 LYS QG 1 59 VAL H . . 4.250 3.285 2.987 3.465 . 0 0 "[ . 1 . 2]" 1
210 1 14 LYS QG 1 60 GLU HA . . 5.280 3.595 3.364 3.760 . 0 0 "[ . 1 . 2]" 1
211 1 14 LYS QG 1 60 GLU QG . . 4.750 2.701 2.212 3.506 . 0 0 "[ . 1 . 2]" 1
212 1 15 GLN H 1 15 GLN HG3 . . 5.280 4.493 4.451 4.541 . 0 0 "[ . 1 . 2]" 1
213 1 15 GLN H 1 77 MET ME . . 5.500 4.990 4.270 5.555 0.055 1 0 "[ . 1 . 2]" 1
214 1 15 GLN HA 1 15 GLN HE21 . . 4.390 3.993 3.869 4.112 . 0 0 "[ . 1 . 2]" 1
215 1 15 GLN HA 1 16 TRP H . . 2.990 2.280 2.245 2.350 . 0 0 "[ . 1 . 2]" 1
216 1 15 GLN HA 1 16 TRP HD1 . . 4.030 3.148 3.065 3.224 . 0 0 "[ . 1 . 2]" 1
217 1 15 GLN QB 1 16 TRP H . . 4.230 3.514 3.432 3.563 . 0 0 "[ . 1 . 2]" 1
218 1 15 GLN QB 1 17 ILE MG . . 5.080 4.113 3.917 4.465 . 0 0 "[ . 1 . 2]" 1
219 1 15 GLN QB 1 73 ARG QG . . 4.830 3.973 2.974 4.478 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLN QB 1 73 ARG HH11 . . 5.040 4.033 2.978 4.998 . 0 0 "[ . 1 . 2]" 1
221 1 15 GLN QB 1 77 MET ME . . 3.950 2.646 2.047 3.144 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLN HE21 1 15 GLN HG3 . . 3.280 2.237 2.220 2.268 . 0 0 "[ . 1 . 2]" 1
223 1 15 GLN HE21 1 16 TRP H . . 4.060 2.340 2.220 2.532 . 0 0 "[ . 1 . 2]" 1
224 1 15 GLN HE21 1 17 ILE MG . . 4.750 4.059 3.897 4.228 . 0 0 "[ . 1 . 2]" 1
225 1 15 GLN HE21 1 77 MET ME . . 4.210 3.947 3.727 4.221 0.011 5 0 "[ . 1 . 2]" 1
226 1 15 GLN HE22 1 15 GLN HG3 . . 3.570 3.524 3.517 3.531 . 0 0 "[ . 1 . 2]" 1
227 1 15 GLN HE22 1 16 TRP H . . 4.020 2.689 2.632 2.801 . 0 0 "[ . 1 . 2]" 1
228 1 15 GLN HE22 1 16 TRP HD1 . . 3.200 3.320 3.281 3.345 0.145 15 0 "[ . 1 . 2]" 1
229 1 15 GLN HG2 1 16 TRP H . . 4.710 3.847 3.686 3.927 . 0 0 "[ . 1 . 2]" 1
230 1 15 GLN HG2 1 17 ILE MG . . 4.830 4.266 4.119 4.423 . 0 0 "[ . 1 . 2]" 1
231 1 15 GLN HG2 1 73 ARG HH11 . . 4.980 4.417 3.941 4.751 . 0 0 "[ . 1 . 2]" 1
232 1 15 GLN HG3 1 16 TRP H . . 4.100 2.580 2.411 2.652 . 0 0 "[ . 1 . 2]" 1
233 1 15 GLN HG3 1 17 ILE MG . . 4.010 3.229 3.059 3.403 . 0 0 "[ . 1 . 2]" 1
234 1 16 TRP H 1 16 TRP HB2 . . 3.400 2.443 2.414 2.479 . 0 0 "[ . 1 . 2]" 1
235 1 16 TRP H 1 16 TRP HB3 . . 3.890 3.607 3.583 3.649 . 0 0 "[ . 1 . 2]" 1
236 1 16 TRP H 1 16 TRP HD1 . . 3.370 2.290 2.196 2.431 . 0 0 "[ . 1 . 2]" 1
237 1 16 TRP H 1 16 TRP HE1 . . 5.140 4.590 4.501 4.731 . 0 0 "[ . 1 . 2]" 1
238 1 16 TRP H 1 16 TRP HE3 . . 5.500 5.480 5.441 5.538 0.038 1 0 "[ . 1 . 2]" 1
239 1 16 TRP H 1 17 ILE H . . 4.550 4.582 4.550 4.605 0.055 20 0 "[ . 1 . 2]" 1
240 1 16 TRP H 1 17 ILE MG . . 5.140 4.505 4.268 4.849 . 0 0 "[ . 1 . 2]" 1
241 1 16 TRP H 1 56 ALA MB . . 5.500 5.325 5.080 5.539 0.039 9 0 "[ . 1 . 2]" 1
242 1 16 TRP H 1 58 PRO HA . . 5.170 4.405 4.319 4.527 . 0 0 "[ . 1 . 2]" 1
243 1 16 TRP HA 1 16 TRP HE3 . . 4.240 3.508 3.431 3.586 . 0 0 "[ . 1 . 2]" 1
244 1 16 TRP HA 1 17 ILE H . . 3.340 2.240 2.209 2.272 . 0 0 "[ . 1 . 2]" 1
245 1 16 TRP HA 1 17 ILE QG . . 5.200 3.982 3.392 4.525 . 0 0 "[ . 1 . 2]" 1
246 1 16 TRP HA 1 17 ILE MG . . 4.680 3.702 3.407 4.323 . 0 0 "[ . 1 . 2]" 1
247 1 16 TRP HA 1 56 ALA MB . . 4.500 3.909 3.740 4.141 . 0 0 "[ . 1 . 2]" 1
248 1 16 TRP HA 1 57 THR H . . 5.500 4.520 4.180 4.844 . 0 0 "[ . 1 . 2]" 1
249 1 16 TRP HA 1 59 VAL H . . 4.360 3.475 3.367 3.711 . 0 0 "[ . 1 . 2]" 1
250 1 16 TRP HA 1 59 VAL QG . . 5.230 3.587 3.401 3.977 . 0 0 "[ . 1 . 2]" 1
251 1 16 TRP HB2 1 16 TRP HD1 . . 3.470 2.717 2.695 2.734 . 0 0 "[ . 1 . 2]" 1
252 1 16 TRP HB2 1 16 TRP HE1 . . 4.860 4.812 4.804 4.827 . 0 0 "[ . 1 . 2]" 1
253 1 16 TRP HB2 1 16 TRP HE3 . . 4.170 4.113 4.095 4.128 . 0 0 "[ . 1 . 2]" 1
254 1 16 TRP HB2 1 17 ILE H . . 4.550 3.928 3.841 3.986 . 0 0 "[ . 1 . 2]" 1
255 1 16 TRP HB2 1 56 ALA MB . . 4.180 3.572 3.306 3.767 . 0 0 "[ . 1 . 2]" 1
256 1 16 TRP HB3 1 16 TRP HE3 . . 3.730 2.576 2.559 2.587 . 0 0 "[ . 1 . 2]" 1
257 1 16 TRP HB3 1 16 TRP HZ3 . . 4.950 4.998 4.985 5.007 0.057 10 0 "[ . 1 . 2]" 1
258 1 16 TRP HB3 1 17 ILE H . . 4.300 2.903 2.787 2.997 . 0 0 "[ . 1 . 2]" 1
259 1 16 TRP HB3 1 56 ALA MB . . 3.380 2.383 2.171 2.574 . 0 0 "[ . 1 . 2]" 1
260 1 16 TRP HE1 1 58 PRO HB2 . . 5.500 5.546 5.518 5.580 0.080 14 0 "[ . 1 . 2]" 1
261 1 16 TRP HE3 1 17 ILE H . . 4.870 4.054 3.922 4.217 . 0 0 "[ . 1 . 2]" 1
262 1 16 TRP HE3 1 56 ALA H . . 4.680 4.465 3.882 4.768 0.088 5 0 "[ . 1 . 2]" 1
263 1 16 TRP HE3 1 56 ALA MB . . 3.050 2.690 2.578 2.826 . 0 0 "[ . 1 . 2]" 1
264 1 16 TRP HE3 1 57 THR H . . 4.410 3.829 3.535 4.191 . 0 0 "[ . 1 . 2]" 1
265 1 16 TRP HE3 1 57 THR HA . . 4.810 3.474 3.310 3.653 . 0 0 "[ . 1 . 2]" 1
266 1 16 TRP HE3 1 58 PRO HA . . 4.890 3.610 3.479 3.808 . 0 0 "[ . 1 . 2]" 1
267 1 16 TRP HE3 1 58 PRO HD3 . . 4.210 2.873 2.725 2.978 . 0 0 "[ . 1 . 2]" 1
268 1 16 TRP HE3 1 58 PRO HG2 . . 5.410 5.340 5.195 5.427 0.017 6 0 "[ . 1 . 2]" 1
269 1 16 TRP HH2 1 50 VAL QG . . 3.640 2.603 2.322 3.330 . 0 0 "[ . 1 . 2]" 1
270 1 16 TRP HH2 1 52 SER QB . . 4.150 3.303 2.417 4.183 0.033 16 0 "[ . 1 . 2]" 1
271 1 16 TRP HH2 1 58 PRO HG2 . . 5.500 5.204 5.071 5.356 . 0 0 "[ . 1 . 2]" 1
272 1 16 TRP HH2 1 58 PRO HG3 . . 4.080 3.425 3.281 3.585 . 0 0 "[ . 1 . 2]" 1
273 1 16 TRP HZ2 1 50 VAL QG . . 5.000 4.336 4.034 5.027 0.027 4 0 "[ . 1 . 2]" 1
274 1 16 TRP HZ3 1 50 VAL QG . . 3.970 2.717 2.361 3.127 . 0 0 "[ . 1 . 2]" 1
275 1 16 TRP HZ3 1 52 SER H . . 4.330 2.998 2.167 4.395 0.065 15 0 "[ . 1 . 2]" 1
276 1 16 TRP HZ3 1 52 SER QB . . 3.700 2.602 2.249 3.183 . 0 0 "[ . 1 . 2]" 1
277 1 16 TRP HZ3 1 56 ALA MB . . 4.290 4.275 4.060 4.352 0.062 2 0 "[ . 1 . 2]" 1
278 1 16 TRP HZ3 1 57 THR HA . . 5.220 3.590 3.416 3.838 . 0 0 "[ . 1 . 2]" 1
279 1 16 TRP HZ3 1 58 PRO HD2 . . 4.290 3.881 3.832 3.974 . 0 0 "[ . 1 . 2]" 1
280 1 16 TRP HZ3 1 58 PRO HG2 . . 5.000 4.755 4.568 4.912 . 0 0 "[ . 1 . 2]" 1
281 1 16 TRP HZ3 1 58 PRO HG3 . . 3.700 3.380 3.110 3.605 . 0 0 "[ . 1 . 2]" 1
282 1 17 ILE H 1 17 ILE HB . . 4.100 3.865 3.710 3.936 . 0 0 "[ . 1 . 2]" 1
283 1 17 ILE H 1 17 ILE MD . . 4.130 4.046 3.889 4.164 0.034 7 0 "[ . 1 . 2]" 1
284 1 17 ILE H 1 17 ILE QG . . 3.640 2.425 2.180 2.681 . 0 0 "[ . 1 . 2]" 1
285 1 17 ILE H 1 17 ILE MG . . 3.710 2.969 2.621 3.504 . 0 0 "[ . 1 . 2]" 1
286 1 17 ILE H 1 56 ALA HA . . 5.500 4.668 4.370 4.949 . 0 0 "[ . 1 . 2]" 1
287 1 17 ILE H 1 56 ALA MB . . 3.740 2.930 2.664 3.165 . 0 0 "[ . 1 . 2]" 1
288 1 17 ILE H 1 57 THR H . . 3.670 2.954 2.711 3.239 . 0 0 "[ . 1 . 2]" 1
289 1 17 ILE H 1 57 THR HB . . 5.240 4.143 3.994 4.247 . 0 0 "[ . 1 . 2]" 1
290 1 17 ILE H 1 57 THR MG . . 5.500 4.456 4.136 5.012 . 0 0 "[ . 1 . 2]" 1
291 1 17 ILE H 1 58 PRO HA . . 4.180 3.536 3.436 3.637 . 0 0 "[ . 1 . 2]" 1
292 1 17 ILE H 1 59 VAL H . . 5.500 4.945 4.777 5.098 . 0 0 "[ . 1 . 2]" 1
293 1 17 ILE HA 1 17 ILE MD . . 4.430 4.170 4.132 4.184 . 0 0 "[ . 1 . 2]" 1
294 1 17 ILE HA 1 17 ILE MG . . 3.140 2.412 2.141 2.621 . 0 0 "[ . 1 . 2]" 1
295 1 17 ILE HA 1 18 PRO HG2 . . 4.740 4.456 4.388 4.523 . 0 0 "[ . 1 . 2]" 1
296 1 17 ILE HA 1 18 PRO HG3 . . 4.720 4.563 4.500 4.625 . 0 0 "[ . 1 . 2]" 1
297 1 17 ILE HA 1 77 MET ME . . 4.470 4.520 4.419 4.600 0.130 12 0 "[ . 1 . 2]" 1
298 1 17 ILE HB 1 17 ILE MD . . 2.900 2.376 2.306 2.430 . 0 0 "[ . 1 . 2]" 1
299 1 17 ILE HB 1 18 PRO QD . . 3.740 2.378 2.185 2.789 . 0 0 "[ . 1 . 2]" 1
300 1 17 ILE HB 1 18 PRO HG2 . . 4.830 4.108 3.955 4.316 . 0 0 "[ . 1 . 2]" 1
301 1 17 ILE HB 1 21 GLU QG . . 5.500 3.873 2.662 4.859 . 0 0 "[ . 1 . 2]" 1
302 1 17 ILE HB 1 22 VAL QG . . 4.290 3.985 2.882 4.337 0.047 7 0 "[ . 1 . 2]" 1
303 1 17 ILE MD 1 17 ILE MG . . 2.800 1.979 1.952 2.017 . 0 0 "[ . 1 . 2]" 1
304 1 17 ILE MD 1 18 PRO QD . . 5.260 4.126 3.804 4.519 . 0 0 "[ . 1 . 2]" 1
305 1 17 ILE MD 1 21 GLU H . . 5.100 4.505 4.211 4.904 . 0 0 "[ . 1 . 2]" 1
306 1 17 ILE MD 1 21 GLU QB . . 5.120 3.384 2.482 4.855 . 0 0 "[ . 1 . 2]" 1
307 1 17 ILE MD 1 22 VAL H . . 4.340 3.722 3.469 4.046 . 0 0 "[ . 1 . 2]" 1
308 1 17 ILE MD 1 22 VAL HA . . 3.310 2.225 2.111 2.546 . 0 0 "[ . 1 . 2]" 1
309 1 17 ILE MD 1 22 VAL HB . . 4.990 4.225 2.525 4.365 . 0 0 "[ . 1 . 2]" 1
310 1 17 ILE MD 1 22 VAL QG . . 3.200 2.108 2.004 2.211 . 0 0 "[ . 1 . 2]" 1
311 1 17 ILE MD 1 23 GLY H . . 5.200 5.050 4.848 5.283 0.083 8 0 "[ . 1 . 2]" 1
312 1 17 ILE MD 1 24 LYS H . . 5.180 4.858 4.495 5.286 0.106 5 0 "[ . 1 . 2]" 1
313 1 17 ILE MD 1 25 ILE MD . . 2.520 1.972 1.880 2.103 . 0 0 "[ . 1 . 2]" 1
314 1 17 ILE MD 1 46 VAL QG . . 3.770 3.262 2.676 3.780 0.010 9 0 "[ . 1 . 2]" 1
315 1 17 ILE MD 1 48 THR MG . . 5.500 5.189 4.756 5.515 0.015 9 0 "[ . 1 . 2]" 1
316 1 17 ILE MD 1 57 THR H . . 5.140 4.864 4.676 5.049 . 0 0 "[ . 1 . 2]" 1
317 1 17 ILE MD 1 57 THR MG . . 4.760 3.981 3.371 4.773 0.013 19 0 "[ . 1 . 2]" 1
318 1 17 ILE MD 1 77 MET ME . . 5.320 4.208 3.443 4.516 . 0 0 "[ . 1 . 2]" 1
319 1 17 ILE QG 1 22 VAL QG . . 5.140 2.280 2.071 3.163 . 0 0 "[ . 1 . 2]" 1
320 1 17 ILE QG 1 25 ILE MD . . 4.520 3.761 3.610 3.976 . 0 0 "[ . 1 . 2]" 1
321 1 17 ILE QG 1 56 ALA MB . . 4.440 4.145 4.018 4.304 . 0 0 "[ . 1 . 2]" 1
322 1 17 ILE QG 1 57 THR H . . 5.150 3.294 3.136 3.433 . 0 0 "[ . 1 . 2]" 1
323 1 17 ILE QG 1 57 THR HB . . 4.620 3.090 2.917 3.230 . 0 0 "[ . 1 . 2]" 1
324 1 17 ILE MG 1 18 PRO QD . . 3.620 3.284 2.568 3.607 . 0 0 "[ . 1 . 2]" 1
325 1 17 ILE MG 1 18 PRO HG2 . . 5.380 5.219 4.529 5.453 0.073 7 0 "[ . 1 . 2]" 1
326 1 17 ILE MG 1 21 GLU QB . . 5.390 4.367 3.036 5.497 0.107 14 0 "[ . 1 . 2]" 1
327 1 17 ILE MG 1 21 GLU QG . . 5.500 4.627 3.456 5.558 0.058 18 0 "[ . 1 . 2]" 1
328 1 17 ILE MG 1 25 ILE QG . . 4.620 4.712 4.671 4.793 0.173 7 0 "[ . 1 . 2]" 1
329 1 17 ILE MG 1 59 VAL H . . 5.500 4.723 4.146 5.528 0.028 9 0 "[ . 1 . 2]" 1
330 1 17 ILE MG 1 76 VAL HB . . 5.500 4.694 4.363 5.078 . 0 0 "[ . 1 . 2]" 1
331 1 17 ILE MG 1 77 MET HA . . 4.980 4.213 3.705 4.703 . 0 0 "[ . 1 . 2]" 1
332 1 17 ILE MG 1 77 MET ME . . 3.630 2.316 2.117 2.548 . 0 0 "[ . 1 . 2]" 1
333 1 17 ILE MG 1 80 MET HG2 . . 5.270 5.155 4.531 5.302 0.032 13 0 "[ . 1 . 2]" 1
334 1 18 PRO HA 1 19 THR H . . 3.220 2.294 2.229 2.362 . 0 0 "[ . 1 . 2]" 1
335 1 18 PRO HA 1 20 THR H . . 4.260 4.059 3.909 4.282 0.022 13 0 "[ . 1 . 2]" 1
336 1 18 PRO QB 1 19 THR H . . 4.150 3.005 2.812 3.186 . 0 0 "[ . 1 . 2]" 1
337 1 18 PRO QB 1 20 THR H . . 4.260 2.583 2.433 2.772 . 0 0 "[ . 1 . 2]" 1
338 1 18 PRO QB 1 20 THR MG . . 4.490 2.629 2.185 3.090 . 0 0 "[ . 1 . 2]" 1
339 1 18 PRO QB 1 21 GLU H . . 4.200 3.821 3.563 4.108 . 0 0 "[ . 1 . 2]" 1
340 1 18 PRO QD 1 21 GLU H . . 5.500 4.513 4.211 4.806 . 0 0 "[ . 1 . 2]" 1
341 1 18 PRO QD 1 21 GLU QB . . 4.920 3.476 2.622 4.715 . 0 0 "[ . 1 . 2]" 1
342 1 18 PRO QD 1 21 GLU QG . . 4.840 3.149 2.689 3.556 . 0 0 "[ . 1 . 2]" 1
343 1 18 PRO QD 1 77 MET ME . . 5.400 5.237 5.017 5.428 0.028 14 0 "[ . 1 . 2]" 1
344 1 18 PRO QD 1 80 MET ME . . 5.500 4.727 3.977 5.398 . 0 0 "[ . 1 . 2]" 1
345 1 18 PRO HG2 1 21 GLU H . . 3.580 3.255 2.879 3.603 0.023 14 0 "[ . 1 . 2]" 1
346 1 18 PRO HG2 1 21 GLU QB . . 4.420 2.993 2.304 3.831 . 0 0 "[ . 1 . 2]" 1
347 1 18 PRO HG2 1 21 GLU QG . . 4.750 2.140 2.008 2.230 . 0 0 "[ . 1 . 2]" 1
348 1 18 PRO HG3 1 20 THR H . . 5.010 4.916 4.697 5.064 0.054 7 0 "[ . 1 . 2]" 1
349 1 19 THR H 1 19 THR MG . . 3.770 3.527 1.832 3.717 . 0 0 "[ . 1 . 2]" 1
350 1 19 THR H 1 20 THR H . . 3.550 2.833 2.559 2.923 . 0 0 "[ . 1 . 2]" 1
351 1 19 THR H 1 20 THR MG . . 4.500 4.031 3.579 4.502 0.002 17 0 "[ . 1 . 2]" 1
352 1 19 THR H 1 22 VAL H . . 5.120 5.204 5.053 5.271 0.151 6 0 "[ . 1 . 2]" 1
353 1 19 THR H 1 22 VAL QG . . 4.700 4.055 3.835 4.507 . 0 0 "[ . 1 . 2]" 1
354 1 19 THR H 1 56 ALA HA . . 4.120 2.678 2.225 3.161 . 0 0 "[ . 1 . 2]" 1
355 1 19 THR H 1 56 ALA MB . . 4.710 3.850 3.681 4.107 . 0 0 "[ . 1 . 2]" 1
356 1 19 THR HA 1 19 THR MG . . 2.820 2.193 2.155 2.472 . 0 0 "[ . 1 . 2]" 1
357 1 19 THR HA 1 20 THR MG . . 5.500 4.851 4.591 5.171 . 0 0 "[ . 1 . 2]" 1
358 1 19 THR HA 1 21 GLU H . . 4.340 3.549 3.347 3.686 . 0 0 "[ . 1 . 2]" 1
359 1 19 THR HA 1 22 VAL H . . 4.020 3.122 2.807 3.287 . 0 0 "[ . 1 . 2]" 1
360 1 19 THR HA 1 22 VAL HB . . 5.050 3.164 2.755 3.446 . 0 0 "[ . 1 . 2]" 1
361 1 19 THR HA 1 22 VAL QG . . 3.170 2.069 1.973 2.235 . 0 0 "[ . 1 . 2]" 1
362 1 19 THR HA 1 56 ALA MB . . 5.120 5.207 5.165 5.296 0.176 1 0 "[ . 1 . 2]" 1
363 1 19 THR HB 1 20 THR H . . 4.080 3.508 3.215 4.316 0.236 19 0 "[ . 1 . 2]" 1
364 1 19 THR HB 1 20 THR MG . . 5.500 4.404 3.381 5.588 0.088 1 0 "[ . 1 . 2]" 1
365 1 19 THR MG 1 20 THR H . . 4.400 4.251 3.909 4.313 . 0 0 "[ . 1 . 2]" 1
366 1 19 THR MG 1 22 VAL H . . 4.700 4.216 3.841 4.862 0.162 19 0 "[ . 1 . 2]" 1
367 1 19 THR MG 1 22 VAL HB . . 4.370 3.297 2.824 4.380 0.010 5 0 "[ . 1 . 2]" 1
368 1 19 THR MG 1 22 VAL QG . . 2.860 2.588 2.279 2.885 0.025 19 0 "[ . 1 . 2]" 1
369 1 19 THR MG 1 56 ALA HA . . 4.530 4.284 2.487 4.545 0.015 2 0 "[ . 1 . 2]" 1
370 1 19 THR MG 1 57 THR HB . . 4.810 3.851 3.322 4.847 0.037 5 0 "[ . 1 . 2]" 1
371 1 20 THR H 1 20 THR HB . . 3.790 3.100 2.360 3.674 . 0 0 "[ . 1 . 2]" 1
372 1 20 THR H 1 20 THR MG . . 2.960 2.083 1.826 2.356 . 0 0 "[ . 1 . 2]" 1
373 1 20 THR H 1 22 VAL H . . 4.450 4.084 4.020 4.244 . 0 0 "[ . 1 . 2]" 1
374 1 20 THR H 1 22 VAL QG . . 4.600 4.319 4.233 4.419 . 0 0 "[ . 1 . 2]" 1
375 1 20 THR HA 1 20 THR MG . . 3.280 2.862 2.573 3.207 . 0 0 "[ . 1 . 2]" 1
376 1 20 THR HA 1 22 VAL H . . 4.540 4.113 3.940 4.430 . 0 0 "[ . 1 . 2]" 1
377 1 20 THR HA 1 23 GLY H . . 4.930 4.483 3.963 5.001 0.071 17 0 "[ . 1 . 2]" 1
378 1 20 THR HB 1 21 GLU H . . 4.380 4.376 4.242 4.476 0.096 2 0 "[ . 1 . 2]" 1
379 1 20 THR MG 1 21 GLU H . . 3.910 3.477 2.826 3.959 0.049 6 0 "[ . 1 . 2]" 1
380 1 20 THR MG 1 22 VAL H . . 5.440 4.947 4.543 5.342 . 0 0 "[ . 1 . 2]" 1
381 1 21 GLU H 1 21 GLU QB . . 3.410 2.660 2.364 3.103 . 0 0 "[ . 1 . 2]" 1
382 1 21 GLU H 1 21 GLU QG . . 3.840 2.604 2.305 2.850 . 0 0 "[ . 1 . 2]" 1
383 1 21 GLU H 1 22 VAL H . . 3.110 2.078 1.942 2.205 . 0 0 "[ . 1 . 2]" 1
384 1 21 GLU H 1 22 VAL HA . . 4.660 4.616 4.424 4.768 0.108 13 0 "[ . 1 . 2]" 1
385 1 21 GLU H 1 22 VAL HB . . 4.990 4.323 4.144 4.583 . 0 0 "[ . 1 . 2]" 1
386 1 21 GLU H 1 22 VAL QG . . 3.920 3.254 3.127 3.514 . 0 0 "[ . 1 . 2]" 1
387 1 21 GLU H 1 23 GLY H . . 4.660 4.019 3.734 4.131 . 0 0 "[ . 1 . 2]" 1
388 1 21 GLU H 1 80 MET ME . . 5.100 4.930 4.630 5.139 0.039 14 0 "[ . 1 . 2]" 1
389 1 21 GLU HA 1 23 GLY H . . 4.730 3.484 3.085 3.937 . 0 0 "[ . 1 . 2]" 1
390 1 21 GLU HA 1 24 LYS H . . 4.340 3.316 3.037 3.591 . 0 0 "[ . 1 . 2]" 1
391 1 21 GLU QB 1 22 VAL H . . 4.330 3.482 2.983 4.056 . 0 0 "[ . 1 . 2]" 1
392 1 21 GLU QB 1 24 LYS QD . . 5.210 3.915 2.090 5.276 0.066 10 0 "[ . 1 . 2]" 1
393 1 21 GLU QB 1 24 LYS QE . . 5.420 4.514 2.087 5.329 . 0 0 "[ . 1 . 2]" 1
394 1 21 GLU QB 1 80 MET ME . . 3.380 2.184 1.917 2.807 . 0 0 "[ . 1 . 2]" 1
395 1 21 GLU QG 1 80 MET ME . . 3.520 3.222 2.255 3.632 0.112 20 0 "[ . 1 . 2]" 1
396 1 22 VAL H 1 22 VAL HB . . 3.140 2.418 2.328 2.637 . 0 0 "[ . 1 . 2]" 1
397 1 22 VAL H 1 22 VAL QG . . 3.010 2.143 1.891 2.283 . 0 0 "[ . 1 . 2]" 1
398 1 22 VAL H 1 23 GLY H . . 3.490 2.571 2.523 2.626 . 0 0 "[ . 1 . 2]" 1
399 1 22 VAL H 1 24 LYS H . . 4.940 4.135 3.974 4.284 . 0 0 "[ . 1 . 2]" 1
400 1 22 VAL HA 1 22 VAL QG . . 3.160 2.145 2.123 2.209 . 0 0 "[ . 1 . 2]" 1
401 1 22 VAL HA 1 24 LYS H . . 4.320 3.683 3.573 3.890 . 0 0 "[ . 1 . 2]" 1
402 1 22 VAL HA 1 25 ILE H . . 4.430 3.564 3.193 3.903 . 0 0 "[ . 1 . 2]" 1
403 1 22 VAL HA 1 25 ILE HB . . 4.770 3.393 3.050 3.849 . 0 0 "[ . 1 . 2]" 1
404 1 22 VAL HA 1 25 ILE QG . . 4.930 3.390 2.917 3.631 . 0 0 "[ . 1 . 2]" 1
405 1 22 VAL HA 1 25 ILE MG . . 5.240 4.738 4.414 5.107 . 0 0 "[ . 1 . 2]" 1
406 1 22 VAL HA 1 26 LEU MD1 . . 4.860 4.433 4.046 4.691 . 0 0 "[ . 1 . 2]" 1
407 1 22 VAL HA 1 46 VAL QG . . 5.500 4.156 3.639 5.318 . 0 0 "[ . 1 . 2]" 1
408 1 22 VAL HA 1 80 MET ME . . 4.370 4.055 3.766 4.447 0.077 9 0 "[ . 1 . 2]" 1
409 1 22 VAL HB 1 23 GLY H . . 3.840 3.028 2.838 4.032 0.192 5 0 "[ . 1 . 2]" 1
410 1 22 VAL HB 1 26 LEU MD1 . . 4.430 4.489 4.455 4.581 0.151 5 0 "[ . 1 . 2]" 1
411 1 22 VAL QG 1 23 GLY H . . 3.910 3.366 2.424 3.471 . 0 0 "[ . 1 . 2]" 1
412 1 22 VAL QG 1 24 LYS H . . 5.060 4.326 4.068 4.427 . 0 0 "[ . 1 . 2]" 1
413 1 22 VAL QG 1 26 LEU H . . 4.320 3.692 3.506 3.854 . 0 0 "[ . 1 . 2]" 1
414 1 22 VAL QG 1 26 LEU HA . . 5.240 5.128 4.966 5.275 0.035 13 0 "[ . 1 . 2]" 1
415 1 22 VAL QG 1 26 LEU HB2 . . 4.500 2.985 2.694 3.333 . 0 0 "[ . 1 . 2]" 1
416 1 22 VAL QG 1 26 LEU MD1 . . 2.540 2.077 1.959 2.138 . 0 0 "[ . 1 . 2]" 1
417 1 22 VAL QG 1 26 LEU HG . . 3.600 2.889 2.743 3.073 . 0 0 "[ . 1 . 2]" 1
418 1 22 VAL QG 1 27 GLY H . . 5.500 5.195 4.830 5.522 0.022 6 0 "[ . 1 . 2]" 1
419 1 22 VAL QG 1 57 THR H . . 3.960 3.496 3.111 3.999 0.039 5 0 "[ . 1 . 2]" 1
420 1 22 VAL QG 1 57 THR HB . . 3.530 2.199 2.057 2.567 . 0 0 "[ . 1 . 2]" 1
421 1 22 VAL QG 1 57 THR MG . . 3.200 2.584 2.367 3.001 . 0 0 "[ . 1 . 2]" 1
422 1 22 VAL QG 1 80 MET ME . . 4.950 4.463 4.193 4.964 0.014 5 0 "[ . 1 . 2]" 1
423 1 23 GLY H 1 24 LYS H . . 3.470 2.647 2.559 2.705 . 0 0 "[ . 1 . 2]" 1
424 1 23 GLY H 1 25 ILE H . . 4.810 4.214 4.113 4.295 . 0 0 "[ . 1 . 2]" 1
425 1 24 LYS H 1 24 LYS QB . . 3.220 2.424 2.279 2.499 . 0 0 "[ . 1 . 2]" 1
426 1 24 LYS H 1 24 LYS QD . . 4.230 3.412 2.308 4.068 . 0 0 "[ . 1 . 2]" 1
427 1 24 LYS H 1 24 LYS QE . . 5.030 4.518 4.030 5.088 0.058 4 0 "[ . 1 . 2]" 1
428 1 24 LYS H 1 24 LYS QG . . 3.720 2.492 2.202 3.635 . 0 0 "[ . 1 . 2]" 1
429 1 24 LYS H 1 25 ILE H . . 3.090 2.422 2.152 2.600 . 0 0 "[ . 1 . 2]" 1
430 1 24 LYS H 1 25 ILE QG . . 5.500 3.596 3.407 3.823 . 0 0 "[ . 1 . 2]" 1
431 1 24 LYS H 1 80 MET ME . . 4.150 3.892 3.728 4.140 . 0 0 "[ . 1 . 2]" 1
432 1 24 LYS HA 1 24 LYS QD . . 4.460 2.955 2.076 4.213 . 0 0 "[ . 1 . 2]" 1
433 1 24 LYS HA 1 24 LYS QG . . 3.640 2.699 2.347 3.108 . 0 0 "[ . 1 . 2]" 1
434 1 24 LYS HA 1 80 MET ME . . 5.500 4.880 4.548 5.337 . 0 0 "[ . 1 . 2]" 1
435 1 24 LYS QB 1 25 ILE H . . 3.980 3.163 2.761 3.519 . 0 0 "[ . 1 . 2]" 1
436 1 24 LYS QB 1 25 ILE HB . . 5.450 4.806 4.640 4.922 . 0 0 "[ . 1 . 2]" 1
437 1 24 LYS QE 1 80 MET ME . . 5.500 4.922 3.473 5.540 0.040 15 0 "[ . 1 . 2]" 1
438 1 25 ILE H 1 25 ILE HB . . 3.200 2.553 2.416 2.723 . 0 0 "[ . 1 . 2]" 1
439 1 25 ILE H 1 25 ILE MD . . 4.060 3.807 3.523 4.106 0.046 2 0 "[ . 1 . 2]" 1
440 1 25 ILE H 1 25 ILE QG . . 3.640 2.459 2.211 2.803 . 0 0 "[ . 1 . 2]" 1
441 1 25 ILE H 1 25 ILE MG . . 3.940 3.824 3.760 3.903 . 0 0 "[ . 1 . 2]" 1
442 1 25 ILE H 1 26 LEU H . . 3.040 2.097 1.814 2.392 . 0 0 "[ . 1 . 2]" 1
443 1 25 ILE H 1 26 LEU HB2 . . 5.500 4.501 4.275 4.699 . 0 0 "[ . 1 . 2]" 1
444 1 25 ILE H 1 26 LEU MD1 . . 5.400 5.043 4.922 5.225 . 0 0 "[ . 1 . 2]" 1
445 1 25 ILE H 1 26 LEU MD2 . . 5.000 4.810 4.679 5.012 0.012 3 0 "[ . 1 . 2]" 1
446 1 25 ILE H 1 26 LEU HG . . 4.740 3.894 3.742 4.120 . 0 0 "[ . 1 . 2]" 1
447 1 25 ILE H 1 27 GLY H . . 4.140 3.451 3.004 3.920 . 0 0 "[ . 1 . 2]" 1
448 1 25 ILE HA 1 25 ILE MD . . 4.030 3.863 3.801 3.915 . 0 0 "[ . 1 . 2]" 1
449 1 25 ILE HA 1 25 ILE MG . . 3.270 2.367 2.334 2.417 . 0 0 "[ . 1 . 2]" 1
450 1 25 ILE HA 1 26 LEU HG . . 5.350 4.649 4.480 4.962 . 0 0 "[ . 1 . 2]" 1
451 1 25 ILE HA 1 32 VAL H . . 4.990 4.715 4.264 4.997 0.007 14 0 "[ . 1 . 2]" 1
452 1 25 ILE HA 1 32 VAL HB . . 4.300 2.838 2.364 4.500 0.200 15 0 "[ . 1 . 2]" 1
453 1 25 ILE HA 1 32 VAL QG . . 3.540 2.572 1.868 2.948 . 0 0 "[ . 1 . 2]" 1
454 1 25 ILE HA 1 33 LYS H . . 4.180 4.065 3.848 4.231 0.051 17 0 "[ . 1 . 2]" 1
455 1 25 ILE HA 1 80 MET ME . . 5.500 4.519 4.186 4.909 . 0 0 "[ . 1 . 2]" 1
456 1 25 ILE HB 1 25 ILE MD . . 3.140 2.347 2.267 2.411 . 0 0 "[ . 1 . 2]" 1
457 1 25 ILE HB 1 26 LEU H . . 3.620 2.812 2.539 2.988 . 0 0 "[ . 1 . 2]" 1
458 1 25 ILE HB 1 32 VAL QG . . 5.500 4.821 4.142 5.219 . 0 0 "[ . 1 . 2]" 1
459 1 25 ILE MD 1 26 LEU HG . . 3.980 4.047 3.990 4.102 0.122 3 0 "[ . 1 . 2]" 1
460 1 25 ILE MD 1 80 MET ME . . 3.260 2.368 2.138 2.605 . 0 0 "[ . 1 . 2]" 1
461 1 25 ILE QG 1 25 ILE MG . . 3.320 2.364 2.305 2.395 . 0 0 "[ . 1 . 2]" 1
462 1 25 ILE QG 1 26 LEU H . . 4.960 3.999 3.942 4.089 . 0 0 "[ . 1 . 2]" 1
463 1 25 ILE QG 1 80 MET ME . . 3.490 2.264 2.072 2.416 . 0 0 "[ . 1 . 2]" 1
464 1 25 ILE MG 1 26 LEU H . . 3.910 3.701 3.465 3.885 . 0 0 "[ . 1 . 2]" 1
465 1 25 ILE MG 1 26 LEU HA . . 4.350 3.745 3.441 3.859 . 0 0 "[ . 1 . 2]" 1
466 1 25 ILE MG 1 26 LEU HG . . 4.390 2.928 2.669 3.239 . 0 0 "[ . 1 . 2]" 1
467 1 25 ILE MG 1 32 VAL QG . . 4.500 3.202 2.469 3.803 . 0 0 "[ . 1 . 2]" 1
468 1 25 ILE MG 1 33 LYS H . . 3.890 3.475 3.289 3.622 . 0 0 "[ . 1 . 2]" 1
469 1 25 ILE MG 1 33 LYS HA . . 3.700 3.053 2.778 3.338 . 0 0 "[ . 1 . 2]" 1
470 1 25 ILE MG 1 33 LYS QB . . 3.710 2.065 1.987 2.172 . 0 0 "[ . 1 . 2]" 1
471 1 25 ILE MG 1 33 LYS QG . . 4.210 2.886 2.572 3.267 . 0 0 "[ . 1 . 2]" 1
472 1 25 ILE MG 1 34 LYS H . . 5.090 5.124 5.095 5.168 0.078 15 0 "[ . 1 . 2]" 1
473 1 25 ILE MG 1 80 MET ME . . 4.360 4.347 4.120 4.423 0.063 16 0 "[ . 1 . 2]" 1
474 1 26 LEU H 1 26 LEU HB2 . . 3.590 2.621 2.464 2.685 . 0 0 "[ . 1 . 2]" 1
475 1 26 LEU H 1 26 LEU HB3 . . 4.110 3.745 3.637 3.784 . 0 0 "[ . 1 . 2]" 1
476 1 26 LEU H 1 26 LEU MD1 . . 3.900 3.875 3.727 3.915 0.015 17 0 "[ . 1 . 2]" 1
477 1 26 LEU H 1 26 LEU MD2 . . 3.500 3.542 3.416 3.604 0.104 7 0 "[ . 1 . 2]" 1
478 1 26 LEU H 1 26 LEU HG . . 3.300 2.622 2.422 2.703 . 0 0 "[ . 1 . 2]" 1
479 1 26 LEU H 1 27 GLY H . . 3.390 2.275 1.997 2.543 . 0 0 "[ . 1 . 2]" 1
480 1 26 LEU H 1 27 GLY HA3 . . 4.950 4.347 4.223 4.688 . 0 0 "[ . 1 . 2]" 1
481 1 26 LEU HA 1 26 LEU MD1 . . 4.120 3.856 3.813 3.889 . 0 0 "[ . 1 . 2]" 1
482 1 26 LEU HA 1 26 LEU MD2 . . 3.020 2.115 2.020 2.148 . 0 0 "[ . 1 . 2]" 1
483 1 26 LEU HA 1 26 LEU HG . . 4.210 3.223 3.144 3.253 . 0 0 "[ . 1 . 2]" 1
484 1 26 LEU HA 1 30 ALA H . . 3.880 2.916 2.618 3.477 . 0 0 "[ . 1 . 2]" 1
485 1 26 LEU HA 1 30 ALA MB . . 3.220 2.732 2.288 3.183 . 0 0 "[ . 1 . 2]" 1
486 1 26 LEU HA 1 33 LYS QE . . 5.110 5.069 4.504 5.197 0.087 14 0 "[ . 1 . 2]" 1
487 1 26 LEU HB2 1 26 LEU MD1 . . 3.160 2.308 2.285 2.345 . 0 0 "[ . 1 . 2]" 1
488 1 26 LEU HB2 1 27 GLY H . . 4.160 3.703 3.283 4.053 . 0 0 "[ . 1 . 2]" 1
489 1 26 LEU HB2 1 48 THR MG . . 5.240 4.622 4.290 5.143 . 0 0 "[ . 1 . 2]" 1
490 1 26 LEU HB3 1 26 LEU MD1 . . 3.070 2.339 2.311 2.406 . 0 0 "[ . 1 . 2]" 1
491 1 26 LEU HB3 1 26 LEU MD2 . . 3.160 2.369 2.352 2.387 . 0 0 "[ . 1 . 2]" 1
492 1 26 LEU HB3 1 27 GLY H . . 4.750 4.436 4.233 4.544 . 0 0 "[ . 1 . 2]" 1
493 1 26 LEU HB3 1 27 GLY HA2 . . 5.500 4.903 4.664 5.116 . 0 0 "[ . 1 . 2]" 1
494 1 26 LEU HB3 1 46 VAL HB . . 5.500 5.576 5.540 5.617 0.117 16 0 "[ . 1 . 2]" 1
495 1 26 LEU HB3 1 48 THR MG . . 5.300 4.814 4.595 5.100 . 0 0 "[ . 1 . 2]" 1
496 1 26 LEU MD1 1 27 GLY H . . 5.500 5.284 4.981 5.504 0.004 14 0 "[ . 1 . 2]" 1
497 1 26 LEU MD1 1 46 VAL H . . 5.500 4.488 4.304 4.699 . 0 0 "[ . 1 . 2]" 1
498 1 26 LEU MD1 1 46 VAL HA . . 5.430 4.637 4.265 4.879 . 0 0 "[ . 1 . 2]" 1
499 1 26 LEU MD1 1 46 VAL HB . . 3.760 2.300 2.179 2.594 . 0 0 "[ . 1 . 2]" 1
500 1 26 LEU MD1 1 48 THR HA . . 5.500 5.289 5.085 5.602 0.102 8 0 "[ . 1 . 2]" 1
501 1 26 LEU MD1 1 48 THR MG . . 2.890 2.380 2.140 2.918 0.028 12 0 "[ . 1 . 2]" 1
502 1 26 LEU MD2 1 27 GLY H . . 4.630 4.640 4.534 4.699 0.069 7 0 "[ . 1 . 2]" 1
503 1 26 LEU MD2 1 30 ALA H . . 5.500 4.114 3.919 4.633 . 0 0 "[ . 1 . 2]" 1
504 1 26 LEU MD2 1 30 ALA HA . . 3.500 2.988 2.705 3.528 0.028 3 0 "[ . 1 . 2]" 1
505 1 26 LEU MD2 1 30 ALA MB . . 3.240 2.220 2.076 2.396 . 0 0 "[ . 1 . 2]" 1
506 1 26 LEU MD2 1 33 LYS HA . . 5.410 5.245 4.821 5.475 0.065 14 0 "[ . 1 . 2]" 1
507 1 26 LEU MD2 1 33 LYS QD . . 3.370 2.574 2.273 2.824 . 0 0 "[ . 1 . 2]" 1
508 1 26 LEU MD2 1 33 LYS QE . . 3.920 2.943 2.852 3.113 . 0 0 "[ . 1 . 2]" 1
509 1 26 LEU MD2 1 33 LYS QG . . 4.690 4.173 3.857 4.403 . 0 0 "[ . 1 . 2]" 1
510 1 26 LEU MD2 1 46 VAL H . . 5.280 3.960 3.514 4.648 . 0 0 "[ . 1 . 2]" 1
511 1 26 LEU HG 1 27 GLY H . . 5.060 4.642 4.440 4.823 . 0 0 "[ . 1 . 2]" 1
512 1 26 LEU HG 1 48 THR MG . . 5.500 4.584 4.226 5.412 . 0 0 "[ . 1 . 2]" 1
513 1 27 GLY H 1 28 ASN H . . 4.650 2.936 2.498 4.666 0.016 6 0 "[ . 1 . 2]" 1
514 1 27 GLY H 1 30 ALA MB . . 5.400 5.393 4.805 5.513 0.113 17 0 "[ . 1 . 2]" 1
515 1 27 GLY HA3 1 28 ASN H . . 3.490 3.234 2.862 3.446 . 0 0 "[ . 1 . 2]" 1
516 1 28 ASN H 1 28 ASN QB . . 3.880 2.873 2.417 3.267 . 0 0 "[ . 1 . 2]" 1
517 1 28 ASN H 1 29 ARG H . . 4.080 3.224 2.724 4.188 0.108 9 0 "[ . 1 . 2]" 1
518 1 28 ASN H 1 29 ARG HA . . 5.500 4.820 4.372 5.287 . 0 0 "[ . 1 . 2]" 1
519 1 28 ASN H 1 30 ALA H . . 4.790 2.819 2.344 4.169 . 0 0 "[ . 1 . 2]" 1
520 1 28 ASN H 1 31 ALA MB . . 5.500 4.917 4.556 5.512 0.012 6 0 "[ . 1 . 2]" 1
521 1 28 ASN QB 1 29 ARG H . . 4.760 3.855 1.859 4.092 . 0 0 "[ . 1 . 2]" 1
522 1 28 ASN QB 1 30 ALA H . . 5.500 4.213 2.948 4.682 . 0 0 "[ . 1 . 2]" 1
523 1 28 ASN QB 1 31 ALA H . . 4.670 3.549 2.715 3.967 . 0 0 "[ . 1 . 2]" 1
524 1 28 ASN QB 1 31 ALA MB . . 3.410 3.067 2.353 3.397 . 0 0 "[ . 1 . 2]" 1
525 1 28 ASN QD 1 31 ALA H . . 4.990 4.648 4.078 5.021 0.031 20 0 "[ . 1 . 2]" 1
526 1 28 ASN QD 1 31 ALA MB . . 3.500 3.351 2.644 3.561 0.061 7 0 "[ . 1 . 2]" 1
527 1 28 ASN QD 1 32 VAL QG . . 5.500 3.057 1.626 4.700 . 0 0 "[ . 1 . 2]" 1
528 1 29 ARG H 1 29 ARG QD . . 4.840 3.945 2.638 4.655 . 0 0 "[ . 1 . 2]" 1
529 1 29 ARG H 1 29 ARG QG . . 3.790 2.575 2.133 2.793 . 0 0 "[ . 1 . 2]" 1
530 1 29 ARG H 1 30 ALA H . . 3.430 2.787 2.646 3.281 . 0 0 "[ . 1 . 2]" 1
531 1 29 ARG H 1 30 ALA MB . . 5.190 4.863 4.759 5.203 0.013 14 0 "[ . 1 . 2]" 1
532 1 29 ARG HA 1 29 ARG QD . . 5.040 3.347 2.029 4.223 . 0 0 "[ . 1 . 2]" 1
533 1 29 ARG HA 1 29 ARG QG . . 3.700 2.617 2.371 3.049 . 0 0 "[ . 1 . 2]" 1
534 1 29 ARG HA 1 30 ALA H . . 3.520 2.886 2.779 2.985 . 0 0 "[ . 1 . 2]" 1
535 1 29 ARG HA 1 30 ALA MB . . 4.850 3.876 3.819 3.939 . 0 0 "[ . 1 . 2]" 1
536 1 29 ARG HA 1 31 ALA H . . 5.350 4.430 4.316 4.574 . 0 0 "[ . 1 . 2]" 1
537 1 29 ARG QB 1 29 ARG QD . . 3.240 2.309 2.112 2.873 . 0 0 "[ . 1 . 2]" 1
538 1 29 ARG QB 1 30 ALA H . . 4.480 3.855 3.809 3.921 . 0 0 "[ . 1 . 2]" 1
539 1 29 ARG QB 1 30 ALA MB . . 4.250 4.263 4.204 4.290 0.040 10 0 "[ . 1 . 2]" 1
540 1 29 ARG QG 1 30 ALA H . . 5.090 4.520 4.393 4.743 . 0 0 "[ . 1 . 2]" 1
541 1 30 ALA H 1 30 ALA MB . . 3.180 2.813 2.795 2.840 . 0 0 "[ . 1 . 2]" 1
542 1 30 ALA H 1 31 ALA H . . 3.520 2.839 2.800 2.862 . 0 0 "[ . 1 . 2]" 1
543 1 30 ALA H 1 31 ALA MB . . 4.570 4.448 4.400 4.503 . 0 0 "[ . 1 . 2]" 1
544 1 30 ALA H 1 34 LYS QE . . 5.500 5.274 4.823 5.530 0.030 19 0 "[ . 1 . 2]" 1
545 1 30 ALA HA 1 31 ALA MB . . 4.630 4.569 4.482 4.633 0.003 13 0 "[ . 1 . 2]" 1
546 1 30 ALA MB 1 31 ALA H . . 3.990 3.687 3.643 3.725 . 0 0 "[ . 1 . 2]" 1
547 1 30 ALA MB 1 32 VAL H . . 5.190 4.346 4.275 4.464 . 0 0 "[ . 1 . 2]" 1
548 1 30 ALA MB 1 33 LYS H . . 3.940 3.411 3.335 3.480 . 0 0 "[ . 1 . 2]" 1
549 1 30 ALA MB 1 33 LYS HA . . 4.890 4.930 4.883 4.975 0.085 5 0 "[ . 1 . 2]" 1
550 1 30 ALA MB 1 33 LYS QB . . 3.220 2.291 2.234 2.361 . 0 0 "[ . 1 . 2]" 1
551 1 30 ALA MB 1 33 LYS QE . . 3.560 2.157 2.000 2.398 . 0 0 "[ . 1 . 2]" 1
552 1 30 ALA MB 1 33 LYS QG . . 4.410 4.030 3.980 4.119 . 0 0 "[ . 1 . 2]" 1
553 1 30 ALA MB 1 34 LYS H . . 4.180 3.748 3.556 3.981 . 0 0 "[ . 1 . 2]" 1
554 1 30 ALA MB 1 34 LYS QE . . 3.540 2.480 2.073 3.213 . 0 0 "[ . 1 . 2]" 1
555 1 30 ALA MB 1 34 LYS QG . . 3.400 3.135 2.867 3.410 0.010 2 0 "[ . 1 . 2]" 1
556 1 31 ALA H 1 31 ALA MB . . 2.880 2.185 2.167 2.206 . 0 0 "[ . 1 . 2]" 1
557 1 31 ALA H 1 32 VAL H . . 4.380 2.688 2.612 2.757 . 0 0 "[ . 1 . 2]" 1
558 1 31 ALA H 1 32 VAL QG . . 4.780 3.979 3.423 4.441 . 0 0 "[ . 1 . 2]" 1
559 1 31 ALA HA 1 34 LYS H . . 4.570 3.335 3.232 3.673 . 0 0 "[ . 1 . 2]" 1
560 1 31 ALA HA 1 34 LYS HB2 . . 4.190 2.508 2.302 2.878 . 0 0 "[ . 1 . 2]" 1
561 1 31 ALA HA 1 34 LYS HB3 . . 5.090 4.143 3.929 4.535 . 0 0 "[ . 1 . 2]" 1
562 1 31 ALA HA 1 34 LYS QD . . 5.000 2.812 2.192 4.354 . 0 0 "[ . 1 . 2]" 1
563 1 31 ALA HA 1 34 LYS QE . . 4.900 3.644 2.045 4.624 . 0 0 "[ . 1 . 2]" 1
564 1 31 ALA HA 1 35 HIS H . . 5.500 4.345 3.882 4.681 . 0 0 "[ . 1 . 2]" 1
565 1 31 ALA MB 1 32 VAL H . . 3.320 2.848 2.646 2.914 . 0 0 "[ . 1 . 2]" 1
566 1 31 ALA MB 1 32 VAL HA . . 4.440 3.977 3.808 4.028 . 0 0 "[ . 1 . 2]" 1
567 1 31 ALA MB 1 32 VAL HB . . 4.790 4.716 4.065 4.939 0.149 15 0 "[ . 1 . 2]" 1
568 1 31 ALA MB 1 32 VAL QG . . 3.540 3.238 2.880 3.623 0.083 17 0 "[ . 1 . 2]" 1
569 1 31 ALA MB 1 33 LYS H . . 4.830 4.635 4.492 4.698 . 0 0 "[ . 1 . 2]" 1
570 1 31 ALA MB 1 34 LYS H . . 4.950 4.604 4.529 4.796 . 0 0 "[ . 1 . 2]" 1
571 1 31 ALA MB 1 34 LYS HB2 . . 4.750 3.991 3.794 4.372 . 0 0 "[ . 1 . 2]" 1
572 1 32 VAL H 1 32 VAL HB . . 3.520 2.419 2.105 3.587 0.067 15 0 "[ . 1 . 2]" 1
573 1 32 VAL H 1 32 VAL QG . . 3.120 2.214 1.701 2.622 . 0 0 "[ . 1 . 2]" 1
574 1 32 VAL H 1 33 LYS H . . 3.560 2.508 2.437 2.595 . 0 0 "[ . 1 . 2]" 1
575 1 32 VAL HA 1 32 VAL QG . . 3.200 2.154 2.100 2.524 . 0 0 "[ . 1 . 2]" 1
576 1 32 VAL HA 1 35 HIS H . . 3.690 3.436 3.155 3.717 0.027 9 0 "[ . 1 . 2]" 1
577 1 32 VAL HA 1 35 HIS QB . . 3.770 2.818 2.507 3.124 . 0 0 "[ . 1 . 2]" 1
578 1 32 VAL HA 1 36 ILE H . . 5.110 4.693 4.373 4.892 . 0 0 "[ . 1 . 2]" 1
579 1 32 VAL HB 1 33 LYS H . . 4.150 2.869 2.588 4.218 0.068 15 0 "[ . 1 . 2]" 1
580 1 32 VAL HB 1 35 HIS QB . . 5.500 5.229 4.023 5.611 0.111 9 0 "[ . 1 . 2]" 1
581 1 32 VAL QG 1 33 LYS H . . 3.860 3.129 2.165 3.370 . 0 0 "[ . 1 . 2]" 1
582 1 32 VAL QG 1 33 LYS HA . . 4.400 3.377 3.075 3.594 . 0 0 "[ . 1 . 2]" 1
583 1 32 VAL QG 1 33 LYS QB . . 5.500 3.863 2.954 4.180 . 0 0 "[ . 1 . 2]" 1
584 1 32 VAL QG 1 34 LYS H . . 4.920 4.573 4.101 4.669 . 0 0 "[ . 1 . 2]" 1
585 1 32 VAL QG 1 35 HIS H . . 4.530 4.271 4.021 4.505 . 0 0 "[ . 1 . 2]" 1
586 1 32 VAL QG 1 35 HIS QB . . 4.580 3.543 3.086 3.940 . 0 0 "[ . 1 . 2]" 1
587 1 32 VAL QG 1 35 HIS HD2 . . 5.260 4.662 4.046 5.291 0.031 15 0 "[ . 1 . 2]" 1
588 1 32 VAL QG 1 36 ILE H . . 4.510 4.455 4.300 4.582 0.072 15 0 "[ . 1 . 2]" 1
589 1 32 VAL QG 1 36 ILE MD . . 2.980 2.966 2.661 3.074 0.094 2 0 "[ . 1 . 2]" 1
590 1 33 LYS H 1 33 LYS QB . . 3.420 2.221 2.200 2.244 . 0 0 "[ . 1 . 2]" 1
591 1 33 LYS H 1 33 LYS QD . . 5.010 4.598 4.569 4.643 . 0 0 "[ . 1 . 2]" 1
592 1 33 LYS H 1 33 LYS QG . . 5.100 3.956 3.944 3.967 . 0 0 "[ . 1 . 2]" 1
593 1 33 LYS H 1 34 LYS H . . 3.620 2.539 2.504 2.589 . 0 0 "[ . 1 . 2]" 1
594 1 33 LYS H 1 35 HIS H . . 4.570 3.943 3.840 4.039 . 0 0 "[ . 1 . 2]" 1
595 1 33 LYS H 1 36 ILE MD . . 5.210 5.014 4.698 5.202 . 0 0 "[ . 1 . 2]" 1
596 1 33 LYS HA 1 36 ILE HB . . 4.260 3.286 3.073 3.521 . 0 0 "[ . 1 . 2]" 1
597 1 33 LYS HA 1 36 ILE MD . . 3.600 2.920 2.646 3.310 . 0 0 "[ . 1 . 2]" 1
598 1 33 LYS HA 1 37 GLU H . . 5.260 4.653 4.454 4.890 . 0 0 "[ . 1 . 2]" 1
599 1 33 LYS HA 1 44 ILE MD . . 3.800 3.515 3.230 3.713 . 0 0 "[ . 1 . 2]" 1
600 1 33 LYS HA 1 44 ILE MG . . 4.960 4.369 4.214 4.476 . 0 0 "[ . 1 . 2]" 1
601 1 33 LYS QB 1 33 LYS QE . . 4.320 2.006 1.983 2.038 . 0 0 "[ . 1 . 2]" 1
602 1 33 LYS QB 1 34 LYS H . . 3.880 2.548 2.492 2.673 . 0 0 "[ . 1 . 2]" 1
603 1 33 LYS QB 1 35 HIS H . . 5.500 4.580 4.498 4.678 . 0 0 "[ . 1 . 2]" 1
604 1 33 LYS QD 1 44 ILE HB . . 4.770 2.646 2.465 2.802 . 0 0 "[ . 1 . 2]" 1
605 1 33 LYS QD 1 44 ILE MD . . 4.460 3.962 3.692 4.109 . 0 0 "[ . 1 . 2]" 1
606 1 33 LYS QD 1 44 ILE MG . . 3.820 2.214 2.119 2.321 . 0 0 "[ . 1 . 2]" 1
607 1 33 LYS QD 1 46 VAL HB . . 4.970 4.110 3.687 4.393 . 0 0 "[ . 1 . 2]" 1
608 1 33 LYS QE 1 44 ILE HB . . 5.500 4.321 4.162 4.427 . 0 0 "[ . 1 . 2]" 1
609 1 33 LYS QE 1 44 ILE MG . . 4.520 4.085 3.970 4.192 . 0 0 "[ . 1 . 2]" 1
610 1 33 LYS QG 1 36 ILE MD . . 5.090 3.954 3.614 4.455 . 0 0 "[ . 1 . 2]" 1
611 1 33 LYS QG 1 44 ILE HB . . 4.320 2.251 2.202 2.340 . 0 0 "[ . 1 . 2]" 1
612 1 33 LYS QG 1 44 ILE MD . . 3.680 2.727 2.402 2.868 . 0 0 "[ . 1 . 2]" 1
613 1 33 LYS QG 1 44 ILE MG . . 3.830 2.500 2.389 2.635 . 0 0 "[ . 1 . 2]" 1
614 1 33 LYS QG 1 59 VAL QG . . 5.350 4.632 4.194 5.253 . 0 0 "[ . 1 . 2]" 1
615 1 34 LYS H 1 34 LYS HB2 . . 3.430 2.374 2.344 2.443 . 0 0 "[ . 1 . 2]" 1
616 1 34 LYS H 1 34 LYS HB3 . . 3.850 3.566 3.552 3.585 . 0 0 "[ . 1 . 2]" 1
617 1 34 LYS H 1 34 LYS QD . . 4.770 3.678 3.424 4.211 . 0 0 "[ . 1 . 2]" 1
618 1 34 LYS H 1 34 LYS QE . . 4.990 3.959 3.244 4.374 . 0 0 "[ . 1 . 2]" 1
619 1 34 LYS H 1 34 LYS QG . . 3.460 2.222 2.141 2.309 . 0 0 "[ . 1 . 2]" 1
620 1 34 LYS H 1 35 HIS H . . 3.400 2.661 2.618 2.702 . 0 0 "[ . 1 . 2]" 1
621 1 34 LYS H 1 35 HIS QB . . 5.130 4.406 4.309 4.461 . 0 0 "[ . 1 . 2]" 1
622 1 34 LYS HA 1 34 LYS QD . . 5.010 4.025 3.982 4.062 . 0 0 "[ . 1 . 2]" 1
623 1 34 LYS HA 1 34 LYS QE . . 5.040 4.565 4.370 5.016 . 0 0 "[ . 1 . 2]" 1
624 1 34 LYS HA 1 37 GLU H . . 3.990 3.258 3.095 3.498 . 0 0 "[ . 1 . 2]" 1
625 1 34 LYS HA 1 37 GLU QB . . 4.220 2.562 2.246 2.790 . 0 0 "[ . 1 . 2]" 1
626 1 34 LYS HB2 1 35 HIS H . . 3.840 3.143 3.015 3.359 . 0 0 "[ . 1 . 2]" 1
627 1 34 LYS HB3 1 34 LYS QD . . 3.520 2.506 2.419 2.553 . 0 0 "[ . 1 . 2]" 1
628 1 34 LYS HB3 1 35 HIS H . . 4.540 4.024 3.904 4.148 . 0 0 "[ . 1 . 2]" 1
629 1 34 LYS QG 1 35 HIS H . . 5.210 4.300 4.210 4.375 . 0 0 "[ . 1 . 2]" 1
630 1 35 HIS H 1 35 HIS QB . . 3.130 2.244 2.192 2.277 . 0 0 "[ . 1 . 2]" 1
631 1 35 HIS H 1 36 ILE H . . 3.280 2.499 2.402 2.584 . 0 0 "[ . 1 . 2]" 1
632 1 35 HIS H 1 36 ILE HB . . 4.750 4.631 4.473 4.734 . 0 0 "[ . 1 . 2]" 1
633 1 35 HIS H 1 36 ILE MD . . 5.260 5.020 4.921 5.164 . 0 0 "[ . 1 . 2]" 1
634 1 35 HIS H 1 36 ILE QG . . 4.460 4.058 3.709 4.268 . 0 0 "[ . 1 . 2]" 1
635 1 35 HIS H 1 81 GLN QB . . 5.500 5.238 4.804 5.581 0.081 5 0 "[ . 1 . 2]" 1
636 1 35 HIS HA 1 35 HIS HD2 . . 4.630 4.387 3.649 4.654 0.024 12 0 "[ . 1 . 2]" 1
637 1 35 HIS HA 1 38 ARG H . . 3.920 3.439 3.131 3.676 . 0 0 "[ . 1 . 2]" 1
638 1 35 HIS HA 1 38 ARG QB . . 4.200 3.381 2.292 4.277 0.077 8 0 "[ . 1 . 2]" 1
639 1 35 HIS HA 1 38 ARG QD . . 5.030 3.220 2.566 5.110 0.080 20 0 "[ . 1 . 2]" 1
640 1 35 HIS HA 1 38 ARG QG . . 4.750 3.226 2.183 4.306 . 0 0 "[ . 1 . 2]" 1
641 1 35 HIS HA 1 39 GLN H . . 5.120 4.536 4.273 4.779 . 0 0 "[ . 1 . 2]" 1
642 1 35 HIS QB 1 36 ILE H . . 3.490 2.735 2.589 2.850 . 0 0 "[ . 1 . 2]" 1
643 1 35 HIS QB 1 36 ILE QG . . 4.370 3.089 2.939 3.212 . 0 0 "[ . 1 . 2]" 1
644 1 35 HIS QB 1 38 ARG H . . 5.500 5.012 4.783 5.218 . 0 0 "[ . 1 . 2]" 1
645 1 35 HIS QB 1 38 ARG QG . . 5.500 4.962 4.091 5.618 0.118 5 0 "[ . 1 . 2]" 1
646 1 35 HIS QB 1 81 GLN QB . . 4.700 3.532 2.721 4.106 . 0 0 "[ . 1 . 2]" 1
647 1 35 HIS HD2 1 36 ILE H . . 4.980 4.199 3.573 4.564 . 0 0 "[ . 1 . 2]" 1
648 1 35 HIS HD2 1 36 ILE MD . . 4.980 4.711 3.942 5.031 0.051 5 0 "[ . 1 . 2]" 1
649 1 35 HIS HD2 1 36 ILE QG . . 4.290 3.276 2.537 3.645 . 0 0 "[ . 1 . 2]" 1
650 1 35 HIS HD2 1 39 GLN HB2 . . 4.700 4.070 3.202 4.724 0.024 13 0 "[ . 1 . 2]" 1
651 1 35 HIS HD2 1 39 GLN HB3 . . 5.490 4.944 4.129 5.517 0.027 1 0 "[ . 1 . 2]" 1
652 1 35 HIS HD2 1 39 GLN QG . . 5.360 5.087 4.247 5.430 0.070 20 0 "[ . 1 . 2]" 1
653 1 35 HIS HD2 1 81 GLN QB . . 4.610 3.013 2.148 4.181 . 0 0 "[ . 1 . 2]" 1
654 1 35 HIS HD2 1 81 GLN QE . . 4.930 3.858 2.875 4.973 0.043 4 0 "[ . 1 . 2]" 1
655 1 36 ILE H 1 36 ILE HB . . 3.340 2.371 2.294 2.498 . 0 0 "[ . 1 . 2]" 1
656 1 36 ILE H 1 36 ILE MD . . 3.600 3.517 3.391 3.599 . 0 0 "[ . 1 . 2]" 1
657 1 36 ILE H 1 36 ILE QG . . 3.560 2.242 1.976 2.382 . 0 0 "[ . 1 . 2]" 1
658 1 36 ILE H 1 36 ILE MG . . 3.810 3.744 3.719 3.764 . 0 0 "[ . 1 . 2]" 1
659 1 36 ILE H 1 37 GLU H . . 3.560 2.495 2.383 2.591 . 0 0 "[ . 1 . 2]" 1
660 1 36 ILE H 1 38 ARG H . . 4.920 4.064 3.861 4.275 . 0 0 "[ . 1 . 2]" 1
661 1 36 ILE H 1 39 GLN HB2 . . 5.300 5.220 5.041 5.322 0.022 19 0 "[ . 1 . 2]" 1
662 1 36 ILE H 1 44 ILE MD . . 5.060 4.355 4.235 4.462 . 0 0 "[ . 1 . 2]" 1
663 1 36 ILE H 1 81 GLN QB . . 4.650 4.440 4.082 4.670 0.020 5 0 "[ . 1 . 2]" 1
664 1 36 ILE HA 1 36 ILE MD . . 4.110 3.823 3.782 3.863 . 0 0 "[ . 1 . 2]" 1
665 1 36 ILE HA 1 36 ILE QG . . 3.900 2.354 2.282 2.422 . 0 0 "[ . 1 . 2]" 1
666 1 36 ILE HA 1 36 ILE MG . . 3.290 2.457 2.353 2.521 . 0 0 "[ . 1 . 2]" 1
667 1 36 ILE HA 1 38 ARG H . . 5.070 4.091 3.814 4.398 . 0 0 "[ . 1 . 2]" 1
668 1 36 ILE HA 1 39 GLN H . . 3.760 3.098 2.897 3.260 . 0 0 "[ . 1 . 2]" 1
669 1 36 ILE HA 1 39 GLN HB2 . . 4.130 2.977 2.761 3.137 . 0 0 "[ . 1 . 2]" 1
670 1 36 ILE HA 1 39 GLN HB3 . . 3.950 2.196 2.116 2.292 . 0 0 "[ . 1 . 2]" 1
671 1 36 ILE HA 1 39 GLN QG . . 4.940 3.793 3.532 4.095 . 0 0 "[ . 1 . 2]" 1
672 1 36 ILE HA 1 40 PHE H . . 4.380 4.299 4.158 4.421 0.041 2 0 "[ . 1 . 2]" 1
673 1 36 ILE HA 1 40 PHE QD . . 4.860 4.153 4.002 4.326 . 0 0 "[ . 1 . 2]" 1
674 1 36 ILE HA 1 40 PHE HE1 . . 5.250 4.991 4.408 5.242 . 0 0 "[ . 1 . 2]" 1
675 1 36 ILE HA 1 75 ALA MB . . 5.350 4.764 4.379 5.014 . 0 0 "[ . 1 . 2]" 1
676 1 36 ILE HA 1 81 GLN QB . . 5.080 4.698 4.324 5.064 . 0 0 "[ . 1 . 2]" 1
677 1 36 ILE HB 1 36 ILE MD . . 3.330 2.355 2.301 2.436 . 0 0 "[ . 1 . 2]" 1
678 1 36 ILE HB 1 37 GLU H . . 3.760 2.938 2.859 3.026 . 0 0 "[ . 1 . 2]" 1
679 1 36 ILE HB 1 44 ILE MD . . 3.350 2.517 2.281 2.824 . 0 0 "[ . 1 . 2]" 1
680 1 36 ILE HB 1 75 ALA MB . . 5.120 4.969 4.424 5.161 0.041 17 0 "[ . 1 . 2]" 1
681 1 36 ILE HB 1 81 GLN QB . . 4.750 4.811 4.676 4.906 0.156 3 0 "[ . 1 . 2]" 1
682 1 36 ILE MD 1 36 ILE MG . . 2.780 2.006 1.968 2.060 . 0 0 "[ . 1 . 2]" 1
683 1 36 ILE MD 1 37 GLU H . . 5.080 4.789 4.687 4.903 . 0 0 "[ . 1 . 2]" 1
684 1 36 ILE MD 1 40 PHE QD . . 5.500 5.067 4.890 5.387 . 0 0 "[ . 1 . 2]" 1
685 1 36 ILE MD 1 75 ALA H . . 5.150 5.020 4.553 5.259 0.109 14 0 "[ . 1 . 2]" 1
686 1 36 ILE MD 1 75 ALA MB . . 3.660 2.835 2.253 3.150 . 0 0 "[ . 1 . 2]" 1
687 1 36 ILE MD 1 76 VAL H . . 4.680 4.369 3.644 4.701 0.021 16 0 "[ . 1 . 2]" 1
688 1 36 ILE MD 1 76 VAL HA . . 3.760 3.593 2.868 3.829 0.069 16 0 "[ . 1 . 2]" 1
689 1 36 ILE MD 1 81 GLN QB . . 3.010 2.332 2.041 2.737 . 0 0 "[ . 1 . 2]" 1
690 1 36 ILE QG 1 75 ALA MB . . 4.390 3.309 2.788 3.679 . 0 0 "[ . 1 . 2]" 1
691 1 36 ILE QG 1 81 GLN QB . . 3.190 2.477 2.302 2.674 . 0 0 "[ . 1 . 2]" 1
692 1 36 ILE MG 1 37 GLU H . . 4.210 3.627 3.537 3.743 . 0 0 "[ . 1 . 2]" 1
693 1 36 ILE MG 1 37 GLU HA . . 4.480 3.619 3.504 3.788 . 0 0 "[ . 1 . 2]" 1
694 1 36 ILE MG 1 40 PHE H . . 4.910 4.187 4.011 4.314 . 0 0 "[ . 1 . 2]" 1
695 1 36 ILE MG 1 40 PHE HB2 . . 4.050 3.610 3.369 3.842 . 0 0 "[ . 1 . 2]" 1
696 1 36 ILE MG 1 40 PHE HB3 . . 5.110 4.978 4.772 5.130 0.020 2 0 "[ . 1 . 2]" 1
697 1 36 ILE MG 1 40 PHE QD . . 3.110 2.496 2.342 2.653 . 0 0 "[ . 1 . 2]" 1
698 1 36 ILE MG 1 40 PHE HE1 . . 3.470 3.311 2.608 3.514 0.044 20 0 "[ . 1 . 2]" 1
699 1 36 ILE MG 1 44 ILE MD . . 2.890 2.084 1.994 2.202 . 0 0 "[ . 1 . 2]" 1
700 1 36 ILE MG 1 61 ILE MD . . 4.630 4.459 4.285 4.569 . 0 0 "[ . 1 . 2]" 1
701 1 36 ILE MG 1 61 ILE MG . . 4.530 4.451 4.230 4.553 0.023 16 0 "[ . 1 . 2]" 1
702 1 36 ILE MG 1 72 ALA H . . 5.060 4.800 4.552 4.970 . 0 0 "[ . 1 . 2]" 1
703 1 36 ILE MG 1 72 ALA HA . . 3.490 2.697 2.476 2.837 . 0 0 "[ . 1 . 2]" 1
704 1 36 ILE MG 1 72 ALA MB . . 3.110 2.444 2.308 2.579 . 0 0 "[ . 1 . 2]" 1
705 1 36 ILE MG 1 73 ARG H . . 5.500 5.261 5.063 5.375 . 0 0 "[ . 1 . 2]" 1
706 1 36 ILE MG 1 75 ALA H . . 4.730 4.660 4.397 4.758 0.028 10 0 "[ . 1 . 2]" 1
707 1 36 ILE MG 1 75 ALA MB . . 3.090 2.724 2.359 2.935 . 0 0 "[ . 1 . 2]" 1
708 1 36 ILE MG 1 76 VAL H . . 5.500 4.881 4.083 5.325 . 0 0 "[ . 1 . 2]" 1
709 1 37 GLU H 1 37 GLU QB . . 3.570 2.333 2.296 2.384 . 0 0 "[ . 1 . 2]" 1
710 1 37 GLU H 1 37 GLU QG . . 3.560 2.237 2.116 2.333 . 0 0 "[ . 1 . 2]" 1
711 1 37 GLU H 1 38 ARG H . . 3.520 2.624 2.551 2.683 . 0 0 "[ . 1 . 2]" 1
712 1 37 GLU H 1 44 ILE MD . . 3.960 3.935 3.752 3.995 0.035 6 0 "[ . 1 . 2]" 1
713 1 37 GLU HA 1 39 GLN H . . 5.190 4.062 3.967 4.161 . 0 0 "[ . 1 . 2]" 1
714 1 37 GLU HA 1 40 PHE H . . 4.040 3.725 3.626 3.838 . 0 0 "[ . 1 . 2]" 1
715 1 37 GLU HA 1 42 CYS H . . 3.180 3.035 2.902 3.150 . 0 0 "[ . 1 . 2]" 1
716 1 37 GLU HA 1 42 CYS QB . . 4.920 4.002 3.078 4.211 . 0 0 "[ . 1 . 2]" 1
717 1 37 GLU HA 1 43 VAL H . . 5.500 4.865 4.787 4.926 . 0 0 "[ . 1 . 2]" 1
718 1 37 GLU HA 1 44 ILE HB . . 5.500 5.550 5.466 5.599 0.099 5 0 "[ . 1 . 2]" 1
719 1 37 GLU HA 1 44 ILE MD . . 4.880 4.093 3.866 4.215 . 0 0 "[ . 1 . 2]" 1
720 1 37 GLU HA 1 72 ALA MB . . 5.110 4.527 4.390 4.724 . 0 0 "[ . 1 . 2]" 1
721 1 37 GLU QB 1 38 ARG H . . 3.790 2.806 2.645 2.953 . 0 0 "[ . 1 . 2]" 1
722 1 37 GLU QB 1 38 ARG QG . . 5.500 3.835 2.998 5.561 0.061 20 0 "[ . 1 . 2]" 1
723 1 37 GLU QB 1 42 CYS H . . 4.430 4.414 4.291 4.477 0.047 8 0 "[ . 1 . 2]" 1
724 1 37 GLU QG 1 38 ARG H . . 4.810 4.209 4.091 4.281 . 0 0 "[ . 1 . 2]" 1
725 1 37 GLU QG 1 43 VAL HA . . 4.220 2.097 2.059 2.130 . 0 0 "[ . 1 . 2]" 1
726 1 37 GLU QG 1 43 VAL QG . . 5.500 3.364 3.342 3.386 . 0 0 "[ . 1 . 2]" 1
727 1 37 GLU QG 1 44 ILE H . . 4.000 2.694 2.640 2.743 . 0 0 "[ . 1 . 2]" 1
728 1 37 GLU QG 1 44 ILE HB . . 4.900 3.092 3.046 3.153 . 0 0 "[ . 1 . 2]" 1
729 1 37 GLU QG 1 44 ILE MD . . 3.750 2.908 2.570 3.030 . 0 0 "[ . 1 . 2]" 1
730 1 37 GLU QG 1 44 ILE QG . . 4.720 2.548 2.402 2.679 . 0 0 "[ . 1 . 2]" 1
731 1 37 GLU QG 1 44 ILE MG . . 5.260 4.318 4.255 4.382 . 0 0 "[ . 1 . 2]" 1
732 1 37 GLU QG 1 72 ALA MB . . 5.500 4.713 4.549 4.917 . 0 0 "[ . 1 . 2]" 1
733 1 38 ARG H 1 38 ARG QB . . 3.190 2.450 2.139 2.771 . 0 0 "[ . 1 . 2]" 1
734 1 38 ARG H 1 38 ARG QD . . 4.730 3.948 3.131 4.658 . 0 0 "[ . 1 . 2]" 1
735 1 38 ARG H 1 38 ARG QG . . 3.800 2.494 1.910 3.906 0.106 20 0 "[ . 1 . 2]" 1
736 1 38 ARG H 1 39 GLN H . . 3.340 2.329 2.197 2.423 . 0 0 "[ . 1 . 2]" 1
737 1 38 ARG H 1 40 PHE H . . 4.620 4.078 3.920 4.190 . 0 0 "[ . 1 . 2]" 1
738 1 38 ARG HA 1 38 ARG QD . . 4.740 4.122 3.063 4.527 . 0 0 "[ . 1 . 2]" 1
739 1 38 ARG HA 1 38 ARG QG . . 3.910 2.815 2.330 3.520 . 0 0 "[ . 1 . 2]" 1
740 1 38 ARG HA 1 41 ASN H . . 4.320 3.297 3.106 3.591 . 0 0 "[ . 1 . 2]" 1
741 1 38 ARG QB 1 39 GLN H . . 4.310 3.371 2.909 3.908 . 0 0 "[ . 1 . 2]" 1
742 1 38 ARG QD 1 38 ARG QH1 . . 3.720 1.864 1.743 2.197 . 0 0 "[ . 1 . 2]" 1
743 1 38 ARG QD 1 39 GLN H . . 5.500 4.963 2.787 5.606 0.106 12 0 "[ . 1 . 2]" 1
744 1 38 ARG QG 1 39 GLN H . . 4.360 3.626 2.747 4.302 . 0 0 "[ . 1 . 2]" 1
745 1 39 GLN H 1 39 GLN HB2 . . 3.080 2.676 2.563 2.794 . 0 0 "[ . 1 . 2]" 1
746 1 39 GLN H 1 39 GLN HB3 . . 3.240 2.292 2.266 2.326 . 0 0 "[ . 1 . 2]" 1
747 1 39 GLN H 1 39 GLN QG . . 4.510 3.926 3.908 3.948 . 0 0 "[ . 1 . 2]" 1
748 1 39 GLN H 1 40 PHE H . . 3.390 2.411 2.250 2.481 . 0 0 "[ . 1 . 2]" 1
749 1 39 GLN H 1 40 PHE HA . . 5.400 5.103 4.989 5.163 . 0 0 "[ . 1 . 2]" 1
750 1 39 GLN H 1 41 ASN H . . 4.450 3.762 3.567 3.866 . 0 0 "[ . 1 . 2]" 1
751 1 39 GLN H 1 42 CYS H . . 5.050 5.052 4.775 5.139 0.089 17 0 "[ . 1 . 2]" 1
752 1 39 GLN HA 1 39 GLN QG . . 3.810 2.828 2.467 3.114 . 0 0 "[ . 1 . 2]" 1
753 1 39 GLN HB2 1 40 PHE H . . 4.040 4.114 4.079 4.151 0.111 9 0 "[ . 1 . 2]" 1
754 1 39 GLN HB3 1 40 PHE H . . 3.730 2.906 2.872 2.965 . 0 0 "[ . 1 . 2]" 1
755 1 39 GLN HB3 1 40 PHE QD . . 4.620 3.453 3.251 3.569 . 0 0 "[ . 1 . 2]" 1
756 1 39 GLN HB3 1 40 PHE HE1 . . 5.500 4.353 3.988 4.564 . 0 0 "[ . 1 . 2]" 1
757 1 39 GLN HB3 1 41 ASN H . . 4.850 4.927 4.900 4.956 0.106 14 0 "[ . 1 . 2]" 1
758 1 39 GLN QE 1 40 PHE QD . . 3.850 3.902 3.879 3.945 0.095 20 0 "[ . 1 . 2]" 1
759 1 39 GLN QG 1 40 PHE H . . 4.870 3.727 3.650 3.819 . 0 0 "[ . 1 . 2]" 1
760 1 39 GLN QG 1 40 PHE QD . . 4.690 3.167 3.030 3.261 . 0 0 "[ . 1 . 2]" 1
761 1 39 GLN QG 1 40 PHE HE2 . . 4.270 3.783 3.238 4.149 . 0 0 "[ . 1 . 2]" 1
762 1 40 PHE H 1 40 PHE HB2 . . 3.600 2.688 2.655 2.707 . 0 0 "[ . 1 . 2]" 1
763 1 40 PHE H 1 40 PHE HB3 . . 3.770 3.809 3.788 3.823 0.053 16 0 "[ . 1 . 2]" 1
764 1 40 PHE H 1 40 PHE QD . . 3.690 3.683 3.550 3.744 0.054 14 0 "[ . 1 . 2]" 1
765 1 40 PHE H 1 40 PHE HE1 . . 6.000 5.785 5.559 5.881 . 0 0 "[ . 1 . 2]" 1
766 1 40 PHE H 1 40 PHE HE2 . . 6.500 6.395 6.180 6.544 0.044 4 0 "[ . 1 . 2]" 1
767 1 40 PHE H 1 41 ASN H . . 3.140 2.139 2.076 2.218 . 0 0 "[ . 1 . 2]" 1
768 1 40 PHE H 1 42 CYS H . . 4.480 3.207 3.144 3.257 . 0 0 "[ . 1 . 2]" 1
769 1 40 PHE H 1 72 ALA MB . . 5.080 4.798 4.691 5.005 . 0 0 "[ . 1 . 2]" 1
770 1 40 PHE HA 1 40 PHE QD . . 3.580 2.278 2.218 2.335 . 0 0 "[ . 1 . 2]" 1
771 1 40 PHE HA 1 68 GLN QE . . 4.490 3.791 2.484 4.519 0.029 16 0 "[ . 1 . 2]" 1
772 1 40 PHE HB2 1 40 PHE HE1 . . 4.760 4.635 4.624 4.647 . 0 0 "[ . 1 . 2]" 1
773 1 40 PHE HB2 1 71 GLU HB2 . . 5.150 4.479 4.203 4.974 . 0 0 "[ . 1 . 2]" 1
774 1 40 PHE HB2 1 72 ALA MB . . 3.520 2.678 2.492 3.092 . 0 0 "[ . 1 . 2]" 1
775 1 40 PHE HB3 1 40 PHE HE1 . . 5.310 5.279 5.257 5.300 . 0 0 "[ . 1 . 2]" 1
776 1 40 PHE HB3 1 41 ASN H . . 4.680 4.373 4.336 4.420 . 0 0 "[ . 1 . 2]" 1
777 1 40 PHE HB3 1 68 GLN QB . . 4.400 2.676 2.400 3.224 . 0 0 "[ . 1 . 2]" 1
778 1 40 PHE HB3 1 72 ALA H . . 4.480 4.356 4.106 4.511 0.031 5 0 "[ . 1 . 2]" 1
779 1 40 PHE HB3 1 72 ALA MB . . 4.080 3.370 2.924 3.956 . 0 0 "[ . 1 . 2]" 1
780 1 40 PHE QD 1 41 ASN H . . 4.930 4.929 4.875 4.960 0.030 4 0 "[ . 1 . 2]" 1
781 1 40 PHE QD 1 68 GLN QE . . 5.250 4.289 2.217 5.229 . 0 0 "[ . 1 . 2]" 1
782 1 40 PHE QD 1 71 GLU HB2 . . 3.720 3.392 3.260 3.528 . 0 0 "[ . 1 . 2]" 1
783 1 40 PHE QD 1 71 GLU HB3 . . 4.740 3.715 3.475 4.040 . 0 0 "[ . 1 . 2]" 1
784 1 40 PHE QD 1 72 ALA HA . . 3.820 2.613 2.486 2.947 . 0 0 "[ . 1 . 2]" 1
785 1 40 PHE QD 1 72 ALA MB . . 3.650 2.634 2.424 2.757 . 0 0 "[ . 1 . 2]" 1
786 1 40 PHE QD 1 75 ALA MB . . 4.190 3.723 3.393 4.017 . 0 0 "[ . 1 . 2]" 1
787 1 40 PHE HE1 1 71 GLU HB2 . . 4.730 4.401 4.164 4.613 . 0 0 "[ . 1 . 2]" 1
788 1 40 PHE HE1 1 71 GLU HB3 . . 4.160 3.680 3.475 3.872 . 0 0 "[ . 1 . 2]" 1
789 1 40 PHE HE1 1 72 ALA HA . . 4.330 3.116 2.909 3.237 . 0 0 "[ . 1 . 2]" 1
790 1 40 PHE HE1 1 72 ALA MB . . 4.270 4.241 3.948 4.325 0.055 7 0 "[ . 1 . 2]" 1
791 1 40 PHE HE1 1 73 ARG H . . 6.000 6.044 6.000 6.108 0.108 14 0 "[ . 1 . 2]" 1
792 1 40 PHE HE1 1 75 ALA H . . 4.690 4.611 4.462 4.761 0.071 15 0 "[ . 1 . 2]" 1
793 1 40 PHE HE1 1 75 ALA MB . . 3.090 2.402 2.190 2.734 . 0 0 "[ . 1 . 2]" 1
794 1 40 PHE HE2 1 71 GLU HB2 . . 4.430 3.870 3.461 4.092 . 0 0 "[ . 1 . 2]" 1
795 1 40 PHE HE2 1 71 GLU HB3 . . 4.420 3.091 2.934 3.204 . 0 0 "[ . 1 . 2]" 1
796 1 40 PHE HE2 1 71 GLU QG . . 5.500 3.581 3.395 3.739 . 0 0 "[ . 1 . 2]" 1
797 1 41 ASN H 1 41 ASN HA . . 2.870 2.245 2.235 2.255 . 0 0 "[ . 1 . 2]" 1
798 1 41 ASN H 1 41 ASN QB . . 3.730 3.252 2.873 3.361 . 0 0 "[ . 1 . 2]" 1
799 1 41 ASN H 1 42 CYS H . . 3.470 2.774 2.740 2.795 . 0 0 "[ . 1 . 2]" 1
800 1 41 ASN HA 1 42 CYS H . . 3.370 3.077 3.035 3.104 . 0 0 "[ . 1 . 2]" 1
801 1 41 ASN QB 1 42 CYS H . . 4.590 3.760 3.742 3.785 . 0 0 "[ . 1 . 2]" 1
802 1 41 ASN QB 1 68 GLN QE . . 4.680 2.649 2.150 3.736 . 0 0 "[ . 1 . 2]" 1
803 1 41 ASN QD 1 68 GLN QE . . 3.980 3.322 2.820 3.979 . 0 0 "[ . 1 . 2]" 1
804 1 42 CYS H 1 42 CYS QB . . 3.860 2.551 2.312 2.624 . 0 0 "[ . 1 . 2]" 1
805 1 42 CYS H 1 43 VAL H . . 4.680 4.497 4.469 4.532 . 0 0 "[ . 1 . 2]" 1
806 1 42 CYS H 1 43 VAL HA . . 5.170 5.211 5.173 5.242 0.072 11 0 "[ . 1 . 2]" 1
807 1 42 CYS H 1 43 VAL QG . . 5.500 4.811 4.769 4.837 . 0 0 "[ . 1 . 2]" 1
808 1 42 CYS H 1 61 ILE MG . . 5.500 5.550 5.511 5.597 0.097 8 0 "[ . 1 . 2]" 1
809 1 42 CYS HA 1 43 VAL H . . 3.230 2.585 2.542 2.618 . 0 0 "[ . 1 . 2]" 1
810 1 42 CYS HA 1 43 VAL QG . . 4.730 3.432 3.378 3.508 . 0 0 "[ . 1 . 2]" 1
811 1 42 CYS HA 1 61 ILE MG . . 5.400 4.683 4.597 4.746 . 0 0 "[ . 1 . 2]" 1
812 1 42 CYS HA 1 62 VAL H . . 5.500 4.855 4.752 4.961 . 0 0 "[ . 1 . 2]" 1
813 1 42 CYS HA 1 63 ALA H . . 5.500 5.202 5.038 5.338 . 0 0 "[ . 1 . 2]" 1
814 1 42 CYS HA 1 63 ALA MB . . 3.770 2.944 2.794 3.219 . 0 0 "[ . 1 . 2]" 1
815 1 42 CYS HA 1 64 GLN H . . 4.900 4.510 4.254 4.804 . 0 0 "[ . 1 . 2]" 1
816 1 42 CYS QB 1 43 VAL H . . 3.450 2.152 2.109 2.204 . 0 0 "[ . 1 . 2]" 1
817 1 42 CYS QB 1 61 ILE MG . . 3.650 2.722 2.655 2.770 . 0 0 "[ . 1 . 2]" 1
818 1 42 CYS QB 1 62 VAL H . . 4.970 3.399 3.289 3.471 . 0 0 "[ . 1 . 2]" 1
819 1 42 CYS QB 1 62 VAL MG1 . . 5.220 5.079 4.899 5.239 0.019 3 0 "[ . 1 . 2]" 1
820 1 42 CYS QB 1 63 ALA HA . . 4.660 3.713 3.412 4.100 . 0 0 "[ . 1 . 2]" 1
821 1 42 CYS QB 1 63 ALA MB . . 3.420 2.417 2.211 3.036 . 0 0 "[ . 1 . 2]" 1
822 1 42 CYS QB 1 72 ALA MB . . 4.240 2.856 2.425 3.155 . 0 0 "[ . 1 . 2]" 1
823 1 43 VAL H 1 43 VAL HB . . 3.470 2.679 2.646 2.715 . 0 0 "[ . 1 . 2]" 1
824 1 43 VAL H 1 43 VAL QG . . 3.160 2.897 2.843 2.945 . 0 0 "[ . 1 . 2]" 1
825 1 43 VAL H 1 44 ILE H . . 4.710 4.410 4.382 4.438 . 0 0 "[ . 1 . 2]" 1
826 1 43 VAL H 1 61 ILE HA . . 5.190 4.472 4.419 4.514 . 0 0 "[ . 1 . 2]" 1
827 1 43 VAL H 1 61 ILE MG . . 4.160 3.426 3.355 3.515 . 0 0 "[ . 1 . 2]" 1
828 1 43 VAL H 1 62 VAL H . . 3.540 2.677 2.622 2.715 . 0 0 "[ . 1 . 2]" 1
829 1 43 VAL H 1 62 VAL HB . . 3.980 3.450 3.318 3.567 . 0 0 "[ . 1 . 2]" 1
830 1 43 VAL H 1 62 VAL MG1 . . 4.750 4.308 4.173 4.452 . 0 0 "[ . 1 . 2]" 1
831 1 43 VAL H 1 62 VAL MG2 . . 5.320 4.591 4.378 4.767 . 0 0 "[ . 1 . 2]" 1
832 1 43 VAL H 1 63 ALA H . . 5.000 5.005 4.960 5.038 0.038 12 0 "[ . 1 . 2]" 1
833 1 43 VAL H 1 63 ALA HA . . 4.520 3.984 3.846 4.125 . 0 0 "[ . 1 . 2]" 1
834 1 43 VAL H 1 63 ALA MB . . 4.380 3.786 3.667 3.974 . 0 0 "[ . 1 . 2]" 1
835 1 43 VAL H 1 72 ALA MB . . 5.500 4.834 4.658 5.002 . 0 0 "[ . 1 . 2]" 1
836 1 43 VAL HA 1 43 VAL QG . . 3.230 2.124 2.117 2.130 . 0 0 "[ . 1 . 2]" 1
837 1 43 VAL HA 1 44 ILE H . . 3.190 2.297 2.279 2.319 . 0 0 "[ . 1 . 2]" 1
838 1 43 VAL HA 1 62 VAL HB . . 5.470 5.081 5.005 5.175 . 0 0 "[ . 1 . 2]" 1
839 1 43 VAL HB 1 44 ILE H . . 4.990 4.049 3.986 4.121 . 0 0 "[ . 1 . 2]" 1
840 1 43 VAL HB 1 62 VAL H . . 4.420 3.538 3.471 3.663 . 0 0 "[ . 1 . 2]" 1
841 1 43 VAL HB 1 62 VAL HB . . 3.860 2.285 2.225 2.363 . 0 0 "[ . 1 . 2]" 1
842 1 43 VAL QG 1 44 ILE H . . 3.280 2.318 2.275 2.383 . 0 0 "[ . 1 . 2]" 1
843 1 43 VAL QG 1 45 THR H . . 4.580 4.441 4.377 4.511 . 0 0 "[ . 1 . 2]" 1
844 1 43 VAL QG 1 62 VAL H . . 4.670 3.948 3.890 4.045 . 0 0 "[ . 1 . 2]" 1
845 1 43 VAL QG 1 62 VAL HB . . 4.450 3.216 3.137 3.262 . 0 0 "[ . 1 . 2]" 1
846 1 43 VAL QG 1 63 ALA HA . . 4.890 4.484 4.366 4.591 . 0 0 "[ . 1 . 2]" 1
847 1 44 ILE H 1 44 ILE HB . . 3.600 2.709 2.690 2.739 . 0 0 "[ . 1 . 2]" 1
848 1 44 ILE H 1 44 ILE MD . . 4.430 4.178 4.071 4.246 . 0 0 "[ . 1 . 2]" 1
849 1 44 ILE H 1 44 ILE QG . . 4.110 2.930 2.894 2.958 . 0 0 "[ . 1 . 2]" 1
850 1 44 ILE H 1 44 ILE MG . . 3.970 3.896 3.885 3.911 . 0 0 "[ . 1 . 2]" 1
851 1 44 ILE H 1 45 THR H . . 5.000 4.407 4.389 4.424 . 0 0 "[ . 1 . 2]" 1
852 1 44 ILE HB 1 44 ILE MD . . 3.290 2.397 2.337 2.455 . 0 0 "[ . 1 . 2]" 1
853 1 44 ILE HB 1 45 THR H . . 4.950 4.034 3.988 4.066 . 0 0 "[ . 1 . 2]" 1
854 1 44 ILE MD 1 44 ILE MG . . 2.590 1.979 1.965 2.000 . 0 0 "[ . 1 . 2]" 1
855 1 44 ILE MD 1 61 ILE HA . . 5.000 4.581 4.384 4.682 . 0 0 "[ . 1 . 2]" 1
856 1 44 ILE MD 1 61 ILE HG13 . . 4.950 4.684 4.468 4.875 . 0 0 "[ . 1 . 2]" 1
857 1 44 ILE MD 1 62 VAL H . . 5.500 5.325 5.191 5.407 . 0 0 "[ . 1 . 2]" 1
858 1 44 ILE MD 1 72 ALA MB . . 4.000 2.311 2.207 2.464 . 0 0 "[ . 1 . 2]" 1
859 1 44 ILE MD 1 73 ARG H . . 5.500 5.412 5.298 5.502 0.002 10 0 "[ . 1 . 2]" 1
860 1 44 ILE MD 1 76 VAL MG2 . . 2.810 2.548 2.150 2.823 0.013 12 0 "[ . 1 . 2]" 1
861 1 44 ILE QG 1 59 VAL QG . . 4.660 4.360 4.047 4.696 0.036 16 0 "[ . 1 . 2]" 1
862 1 44 ILE QG 1 61 ILE HA . . 4.890 2.941 2.776 3.048 . 0 0 "[ . 1 . 2]" 1
863 1 44 ILE QG 1 61 ILE HG12 . . 4.530 2.289 2.204 2.398 . 0 0 "[ . 1 . 2]" 1
864 1 44 ILE QG 1 72 ALA MB . . 4.890 3.183 2.986 3.332 . 0 0 "[ . 1 . 2]" 1
865 1 44 ILE MG 1 45 THR H . . 3.200 2.348 2.285 2.390 . 0 0 "[ . 1 . 2]" 1
866 1 44 ILE MG 1 45 THR HA . . 4.730 3.450 3.396 3.553 . 0 0 "[ . 1 . 2]" 1
867 1 44 ILE MG 1 46 VAL H . . 4.440 3.887 3.426 4.433 . 0 0 "[ . 1 . 2]" 1
868 1 44 ILE MG 1 46 VAL HA . . 4.790 4.449 4.307 4.632 . 0 0 "[ . 1 . 2]" 1
869 1 44 ILE MG 1 59 VAL HB . . 4.210 3.960 3.191 4.322 0.112 1 0 "[ . 1 . 2]" 1
870 1 44 ILE MG 1 59 VAL QG . . 2.890 2.431 2.088 2.963 0.073 15 0 "[ . 1 . 2]" 1
871 1 44 ILE MG 1 60 GLU H . . 4.110 3.666 3.524 3.895 . 0 0 "[ . 1 . 2]" 1
872 1 44 ILE MG 1 61 ILE HA . . 4.850 3.525 3.390 3.615 . 0 0 "[ . 1 . 2]" 1
873 1 44 ILE MG 1 61 ILE HG12 . . 2.910 2.466 2.383 2.562 . 0 0 "[ . 1 . 2]" 1
874 1 45 THR H 1 45 THR HB . . 3.420 3.042 2.969 3.087 . 0 0 "[ . 1 . 2]" 1
875 1 45 THR H 1 45 THR MG . . 4.140 4.015 3.989 4.034 . 0 0 "[ . 1 . 2]" 1
876 1 45 THR H 1 46 VAL H . . 4.640 4.192 3.952 4.448 . 0 0 "[ . 1 . 2]" 1
877 1 45 THR H 1 59 VAL QG . . 4.890 3.354 2.778 4.165 . 0 0 "[ . 1 . 2]" 1
878 1 45 THR H 1 60 GLU H . . 3.890 2.868 2.808 2.979 . 0 0 "[ . 1 . 2]" 1
879 1 45 THR H 1 60 GLU HB2 . . 4.820 3.515 3.217 3.776 . 0 0 "[ . 1 . 2]" 1
880 1 45 THR H 1 60 GLU HB3 . . 4.660 4.466 4.234 4.595 . 0 0 "[ . 1 . 2]" 1
881 1 45 THR H 1 60 GLU QG . . 5.500 5.124 4.820 5.343 . 0 0 "[ . 1 . 2]" 1
882 1 45 THR H 1 61 ILE HA . . 4.980 3.591 3.542 3.671 . 0 0 "[ . 1 . 2]" 1
883 1 45 THR H 1 62 VAL H . . 5.360 5.389 5.321 5.439 0.079 8 0 "[ . 1 . 2]" 1
884 1 45 THR HA 1 45 THR MG . . 3.060 2.211 2.184 2.239 . 0 0 "[ . 1 . 2]" 1
885 1 45 THR HA 1 46 VAL H . . 2.860 2.137 2.094 2.214 . 0 0 "[ . 1 . 2]" 1
886 1 45 THR HA 1 46 VAL HB . . 5.230 4.647 4.354 4.805 . 0 0 "[ . 1 . 2]" 1
887 1 45 THR HB 1 46 VAL H . . 4.490 4.160 3.782 4.373 . 0 0 "[ . 1 . 2]" 1
888 1 45 THR HB 1 47 HIS HD2 . . 4.470 4.005 3.887 4.129 . 0 0 "[ . 1 . 2]" 1
889 1 45 THR HB 1 60 GLU H . . 4.180 3.550 3.421 3.666 . 0 0 "[ . 1 . 2]" 1
890 1 45 THR HB 1 60 GLU HB2 . . 4.370 2.593 2.450 2.816 . 0 0 "[ . 1 . 2]" 1
891 1 45 THR HB 1 60 GLU HB3 . . 4.120 4.077 3.874 4.156 0.036 5 0 "[ . 1 . 2]" 1
892 1 45 THR MG 1 46 VAL H . . 3.250 2.856 2.273 3.242 . 0 0 "[ . 1 . 2]" 1
893 1 45 THR MG 1 46 VAL HA . . 4.380 4.208 3.956 4.356 . 0 0 "[ . 1 . 2]" 1
894 1 45 THR MG 1 46 VAL HB . . 5.130 4.644 4.497 4.815 . 0 0 "[ . 1 . 2]" 1
895 1 45 THR MG 1 47 HIS H . . 5.060 4.972 4.549 5.082 0.022 11 0 "[ . 1 . 2]" 1
896 1 45 THR MG 1 47 HIS HA . . 4.530 4.340 3.833 4.599 0.069 8 0 "[ . 1 . 2]" 1
897 1 45 THR MG 1 47 HIS HD2 . . 4.060 4.123 4.097 4.150 0.090 9 0 "[ . 1 . 2]" 1
898 1 45 THR MG 1 47 HIS HE1 . . 4.650 3.347 2.730 4.217 . 0 0 "[ . 1 . 2]" 1
899 1 45 THR MG 1 60 GLU H . . 4.920 4.572 4.394 4.651 . 0 0 "[ . 1 . 2]" 1
900 1 45 THR MG 1 60 GLU HB2 . . 4.880 4.146 4.017 4.249 . 0 0 "[ . 1 . 2]" 1
901 1 45 THR MG 1 60 GLU HB3 . . 5.500 5.403 5.246 5.471 . 0 0 "[ . 1 . 2]" 1
902 1 45 THR MG 1 60 GLU QG . . 5.500 5.205 4.539 5.503 0.003 12 0 "[ . 1 . 2]" 1
903 1 46 VAL H 1 46 VAL HB . . 3.340 2.606 2.503 2.797 . 0 0 "[ . 1 . 2]" 1
904 1 46 VAL H 1 46 VAL QG . . 3.090 2.226 2.026 2.534 . 0 0 "[ . 1 . 2]" 1
905 1 46 VAL H 1 47 HIS H . . 4.790 4.622 4.527 4.666 . 0 0 "[ . 1 . 2]" 1
906 1 46 VAL H 1 59 VAL QG . . 5.030 3.960 3.333 5.060 0.030 4 0 "[ . 1 . 2]" 1
907 1 46 VAL HA 1 46 VAL QG . . 3.080 2.111 2.076 2.202 . 0 0 "[ . 1 . 2]" 1
908 1 46 VAL HA 1 47 HIS H . . 2.980 2.279 2.136 2.335 . 0 0 "[ . 1 . 2]" 1
909 1 46 VAL HA 1 47 HIS HD2 . . 4.170 3.947 3.783 4.175 0.005 18 0 "[ . 1 . 2]" 1
910 1 46 VAL HA 1 59 VAL HB . . 5.500 3.510 2.539 4.827 . 0 0 "[ . 1 . 2]" 1
911 1 46 VAL HA 1 59 VAL QG . . 3.760 2.474 2.108 2.992 . 0 0 "[ . 1 . 2]" 1
912 1 46 VAL HA 1 60 GLU H . . 4.150 3.577 3.423 3.767 . 0 0 "[ . 1 . 2]" 1
913 1 46 VAL HB 1 47 HIS H . . 4.600 3.899 3.732 4.150 . 0 0 "[ . 1 . 2]" 1
914 1 46 VAL HB 1 48 THR H . . 5.480 4.203 3.868 5.068 . 0 0 "[ . 1 . 2]" 1
915 1 46 VAL HB 1 48 THR MG . . 3.720 3.333 2.826 3.872 0.152 9 0 "[ . 1 . 2]" 1
916 1 46 VAL QG 1 47 HIS H . . 3.280 2.167 1.934 2.597 . 0 0 "[ . 1 . 2]" 1
917 1 46 VAL QG 1 47 HIS HA . . 5.160 3.703 3.167 4.065 . 0 0 "[ . 1 . 2]" 1
918 1 46 VAL QG 1 47 HIS HD2 . . 5.100 4.757 4.566 4.948 . 0 0 "[ . 1 . 2]" 1
919 1 46 VAL QG 1 48 THR H . . 4.110 2.616 2.177 3.187 . 0 0 "[ . 1 . 2]" 1
920 1 46 VAL QG 1 48 THR MG . . 2.940 1.990 1.730 2.136 . 0 0 "[ . 1 . 2]" 1
921 1 46 VAL QG 1 57 THR HA . . 5.500 5.061 4.562 5.254 . 0 0 "[ . 1 . 2]" 1
922 1 46 VAL QG 1 57 THR HB . . 4.430 3.843 3.022 4.213 . 0 0 "[ . 1 . 2]" 1
923 1 46 VAL QG 1 57 THR MG . . 2.710 2.191 2.053 2.477 . 0 0 "[ . 1 . 2]" 1
924 1 46 VAL QG 1 59 VAL HA . . 4.640 3.393 3.116 3.782 . 0 0 "[ . 1 . 2]" 1
925 1 46 VAL QG 1 59 VAL QG . . 2.910 2.013 1.777 2.281 . 0 0 "[ . 1 . 2]" 1
926 1 46 VAL QG 1 60 GLU H . . 5.500 4.274 3.997 4.933 . 0 0 "[ . 1 . 2]" 1
927 1 47 HIS H 1 47 HIS HB2 . . 3.400 2.534 2.245 2.660 . 0 0 "[ . 1 . 2]" 1
928 1 47 HIS H 1 47 HIS HB3 . . 3.910 3.707 3.531 3.763 . 0 0 "[ . 1 . 2]" 1
929 1 47 HIS H 1 47 HIS HD2 . . 3.750 3.735 3.245 3.835 0.085 9 0 "[ . 1 . 2]" 1
930 1 47 HIS H 1 48 THR H . . 4.320 3.263 2.987 3.721 . 0 0 "[ . 1 . 2]" 1
931 1 47 HIS H 1 48 THR MG . . 4.750 3.712 3.445 4.076 . 0 0 "[ . 1 . 2]" 1
932 1 47 HIS H 1 50 VAL QG . . 4.880 4.915 4.788 4.989 0.109 3 0 "[ . 1 . 2]" 1
933 1 47 HIS H 1 57 THR MG . . 3.670 2.764 2.599 3.286 . 0 0 "[ . 1 . 2]" 1
934 1 47 HIS H 1 58 PRO HD2 . . 4.420 4.042 3.891 4.185 . 0 0 "[ . 1 . 2]" 1
935 1 47 HIS H 1 58 PRO HG2 . . 4.570 3.837 3.467 4.134 . 0 0 "[ . 1 . 2]" 1
936 1 47 HIS H 1 59 VAL HA . . 3.900 3.238 2.538 3.477 . 0 0 "[ . 1 . 2]" 1
937 1 47 HIS H 1 59 VAL QG . . 4.500 3.458 3.123 4.145 . 0 0 "[ . 1 . 2]" 1
938 1 47 HIS HA 1 48 THR H . . 2.870 2.515 2.411 2.626 . 0 0 "[ . 1 . 2]" 1
939 1 47 HIS HA 1 48 THR MG . . 4.980 3.925 3.808 4.005 . 0 0 "[ . 1 . 2]" 1
940 1 47 HIS HA 1 49 GLU H . . 3.940 3.125 2.992 3.302 . 0 0 "[ . 1 . 2]" 1
941 1 47 HIS HA 1 50 VAL H . . 4.680 4.472 4.344 4.625 . 0 0 "[ . 1 . 2]" 1
942 1 47 HIS HA 1 50 VAL HB . . 5.500 5.472 5.303 5.597 0.097 20 0 "[ . 1 . 2]" 1
943 1 47 HIS HA 1 50 VAL QG . . 5.350 4.113 3.930 4.850 . 0 0 "[ . 1 . 2]" 1
944 1 47 HIS HB2 1 47 HIS HD2 . . 3.590 2.636 2.592 2.692 . 0 0 "[ . 1 . 2]" 1
945 1 47 HIS HB2 1 50 VAL QG . . 4.960 3.347 3.120 3.808 . 0 0 "[ . 1 . 2]" 1
946 1 47 HIS HB2 1 57 THR MG . . 4.460 3.790 3.461 4.086 . 0 0 "[ . 1 . 2]" 1
947 1 47 HIS HB2 1 58 PRO HB2 . . 4.780 3.760 3.403 3.937 . 0 0 "[ . 1 . 2]" 1
948 1 47 HIS HB2 1 58 PRO HB3 . . 5.080 4.933 4.723 5.062 . 0 0 "[ . 1 . 2]" 1
949 1 47 HIS HB2 1 58 PRO HD2 . . 4.780 3.508 3.135 3.805 . 0 0 "[ . 1 . 2]" 1
950 1 47 HIS HB2 1 58 PRO HG2 . . 3.970 2.095 2.052 2.232 . 0 0 "[ . 1 . 2]" 1
951 1 47 HIS HB2 1 58 PRO HG3 . . 4.540 3.782 3.703 3.916 . 0 0 "[ . 1 . 2]" 1
952 1 47 HIS HB2 1 59 VAL H . . 5.100 5.121 4.837 5.214 0.114 19 0 "[ . 1 . 2]" 1
953 1 47 HIS HB3 1 48 THR H . . 4.600 4.380 4.306 4.438 . 0 0 "[ . 1 . 2]" 1
954 1 47 HIS HB3 1 48 THR HA . . 5.200 5.105 5.064 5.182 . 0 0 "[ . 1 . 2]" 1
955 1 47 HIS HB3 1 49 GLU H . . 4.840 3.826 3.519 4.083 . 0 0 "[ . 1 . 2]" 1
956 1 47 HIS HB3 1 50 VAL H . . 4.640 3.654 3.422 3.837 . 0 0 "[ . 1 . 2]" 1
957 1 47 HIS HB3 1 50 VAL HB . . 5.170 3.571 3.276 3.857 . 0 0 "[ . 1 . 2]" 1
958 1 47 HIS HB3 1 50 VAL QG . . 3.360 2.315 2.109 3.394 0.034 4 0 "[ . 1 . 2]" 1
959 1 47 HIS HB3 1 57 THR MG . . 4.590 4.445 4.138 4.630 0.040 5 0 "[ . 1 . 2]" 1
960 1 47 HIS HB3 1 58 PRO HD2 . . 4.570 4.088 3.637 4.338 . 0 0 "[ . 1 . 2]" 1
961 1 47 HIS HB3 1 58 PRO HG2 . . 4.140 3.027 2.776 3.184 . 0 0 "[ . 1 . 2]" 1
962 1 47 HIS HB3 1 58 PRO HG3 . . 4.950 4.229 3.988 4.370 . 0 0 "[ . 1 . 2]" 1
963 1 47 HIS HD2 1 58 PRO HB2 . . 4.930 4.287 4.082 4.832 . 0 0 "[ . 1 . 2]" 1
964 1 47 HIS HD2 1 58 PRO HG2 . . 5.140 4.030 3.824 4.433 . 0 0 "[ . 1 . 2]" 1
965 1 47 HIS HD2 1 59 VAL HA . . 4.080 3.057 2.870 3.270 . 0 0 "[ . 1 . 2]" 1
966 1 47 HIS HD2 1 60 GLU H . . 3.710 3.416 3.022 3.717 0.007 4 0 "[ . 1 . 2]" 1
967 1 47 HIS HD2 1 60 GLU HB2 . . 3.430 3.419 3.031 3.535 0.105 16 0 "[ . 1 . 2]" 1
968 1 47 HIS HD2 1 60 GLU HB3 . . 5.030 4.853 4.585 4.957 . 0 0 "[ . 1 . 2]" 1
969 1 47 HIS HD2 1 60 GLU QG . . 3.430 2.629 2.368 3.009 . 0 0 "[ . 1 . 2]" 1
970 1 48 THR H 1 48 THR HB . . 3.870 3.592 3.577 3.609 . 0 0 "[ . 1 . 2]" 1
971 1 48 THR H 1 48 THR MG . . 2.950 1.797 1.766 1.824 . 0 0 "[ . 1 . 2]" 1
972 1 48 THR H 1 49 GLU H . . 3.410 2.820 2.745 2.869 . 0 0 "[ . 1 . 2]" 1
973 1 48 THR H 1 49 GLU QB . . 5.060 4.885 4.782 5.029 . 0 0 "[ . 1 . 2]" 1
974 1 48 THR H 1 49 GLU QG . . 5.260 4.696 3.851 5.301 0.041 9 0 "[ . 1 . 2]" 1
975 1 48 THR H 1 50 VAL H . . 4.640 4.347 4.247 4.555 . 0 0 "[ . 1 . 2]" 1
976 1 48 THR H 1 50 VAL QG . . 5.120 5.018 4.884 5.119 . 0 0 "[ . 1 . 2]" 1
977 1 48 THR H 1 57 THR MG . . 4.120 3.319 3.172 3.532 . 0 0 "[ . 1 . 2]" 1
978 1 48 THR HA 1 48 THR MG . . 2.900 2.599 2.552 2.640 . 0 0 "[ . 1 . 2]" 1
979 1 48 THR HA 1 50 VAL H . . 4.190 3.211 2.905 3.471 . 0 0 "[ . 1 . 2]" 1
980 1 48 THR HA 1 57 THR MG . . 3.230 2.174 1.942 2.303 . 0 0 "[ . 1 . 2]" 1
981 1 48 THR MG 1 49 GLU H . . 4.410 3.948 3.890 4.007 . 0 0 "[ . 1 . 2]" 1
982 1 48 THR MG 1 57 THR HA . . 5.340 5.379 5.224 5.427 0.087 10 0 "[ . 1 . 2]" 1
983 1 48 THR MG 1 57 THR MG . . 2.700 2.129 2.056 2.224 . 0 0 "[ . 1 . 2]" 1
984 1 49 GLU H 1 49 GLU QB . . 3.250 2.515 2.454 2.561 . 0 0 "[ . 1 . 2]" 1
985 1 49 GLU H 1 49 GLU QG . . 4.360 2.534 1.800 3.019 . 0 0 "[ . 1 . 2]" 1
986 1 49 GLU H 1 50 VAL H . . 3.340 2.573 2.464 2.655 . 0 0 "[ . 1 . 2]" 1
987 1 49 GLU H 1 50 VAL QG . . 4.320 3.607 3.376 4.298 . 0 0 "[ . 1 . 2]" 1
988 1 49 GLU H 1 57 THR MG . . 4.890 4.509 4.320 4.649 . 0 0 "[ . 1 . 2]" 1
989 1 49 GLU QB 1 50 VAL H . . 5.050 3.735 3.003 3.926 . 0 0 "[ . 1 . 2]" 1
990 1 49 GLU QG 1 50 VAL H . . 4.610 3.166 2.571 4.633 0.023 18 0 "[ . 1 . 2]" 1
991 1 49 GLU QG 1 50 VAL QG . . 4.300 2.609 1.999 4.437 0.137 13 0 "[ . 1 . 2]" 1
992 1 50 VAL H 1 50 VAL HB . . 3.120 2.637 2.454 2.919 . 0 0 "[ . 1 . 2]" 1
993 1 50 VAL H 1 50 VAL QG . . 3.130 2.381 2.095 2.647 . 0 0 "[ . 1 . 2]" 1
994 1 50 VAL H 1 51 GLN H . . 4.810 4.550 4.419 4.646 . 0 0 "[ . 1 . 2]" 1
995 1 50 VAL H 1 57 THR MG . . 5.210 3.910 3.406 4.248 . 0 0 "[ . 1 . 2]" 1
996 1 50 VAL HA 1 50 VAL QG . . 3.200 2.125 2.115 2.150 . 0 0 "[ . 1 . 2]" 1
997 1 50 VAL HA 1 51 GLN H . . 2.730 2.283 2.209 2.391 . 0 0 "[ . 1 . 2]" 1
998 1 50 VAL HA 1 51 GLN QB . . 4.710 4.114 3.871 4.393 . 0 0 "[ . 1 . 2]" 1
999 1 50 VAL HB 1 51 GLN H . . 3.750 3.803 3.752 3.904 0.154 4 0 "[ . 1 . 2]" 1
1000 1 50 VAL HB 1 52 SER H . . 5.500 5.577 5.509 5.722 0.222 15 0 "[ . 1 . 2]" 1
1001 1 50 VAL HB 1 57 THR HA . . 5.500 4.121 3.524 5.455 . 0 0 "[ . 1 . 2]" 1
1002 1 50 VAL HB 1 58 PRO HD2 . . 4.220 2.540 2.272 4.065 . 0 0 "[ . 1 . 2]" 1
1003 1 50 VAL HB 1 58 PRO HD3 . . 5.330 2.963 2.668 4.625 . 0 0 "[ . 1 . 2]" 1
1004 1 50 VAL HB 1 58 PRO HG2 . . 4.340 2.988 2.624 4.398 0.058 4 0 "[ . 1 . 2]" 1
1005 1 50 VAL HB 1 58 PRO HG3 . . 4.770 2.645 2.287 4.235 . 0 0 "[ . 1 . 2]" 1
1006 1 50 VAL QG 1 51 GLN H . . 3.380 2.159 1.760 2.288 . 0 0 "[ . 1 . 2]" 1
1007 1 50 VAL QG 1 51 GLN HA . . 3.700 3.414 3.162 3.495 . 0 0 "[ . 1 . 2]" 1
1008 1 50 VAL QG 1 51 GLN QB . . 5.020 4.052 3.683 4.221 . 0 0 "[ . 1 . 2]" 1
1009 1 50 VAL QG 1 52 SER H . . 3.860 3.831 2.540 3.928 0.068 20 0 "[ . 1 . 2]" 1
1010 1 50 VAL QG 1 52 SER QB . . 4.110 3.963 2.894 4.177 0.067 11 0 "[ . 1 . 2]" 1
1011 1 50 VAL QG 1 57 THR HA . . 5.300 4.154 2.743 4.488 . 0 0 "[ . 1 . 2]" 1
1012 1 50 VAL QG 1 58 PRO HB3 . . 5.240 3.959 3.771 4.186 . 0 0 "[ . 1 . 2]" 1
1013 1 50 VAL QG 1 58 PRO HD2 . . 4.280 3.237 2.082 3.498 . 0 0 "[ . 1 . 2]" 1
1014 1 50 VAL QG 1 58 PRO HD3 . . 4.530 2.940 2.156 3.251 . 0 0 "[ . 1 . 2]" 1
1015 1 50 VAL QG 1 58 PRO HG2 . . 3.700 2.943 2.653 3.163 . 0 0 "[ . 1 . 2]" 1
1016 1 50 VAL QG 1 58 PRO HG3 . . 3.460 2.299 2.134 2.539 . 0 0 "[ . 1 . 2]" 1
1017 1 51 GLN H 1 51 GLN QB . . 3.640 2.811 2.676 3.253 . 0 0 "[ . 1 . 2]" 1
1018 1 51 GLN H 1 51 GLN QG . . 4.700 3.625 2.412 4.187 . 0 0 "[ . 1 . 2]" 1
1019 1 51 GLN H 1 52 SER H . . 4.290 4.062 3.282 4.205 . 0 0 "[ . 1 . 2]" 1
1020 1 51 GLN HA 1 51 GLN QG . . 3.690 2.631 2.340 3.365 . 0 0 "[ . 1 . 2]" 1
1021 1 51 GLN HA 1 52 SER H . . 3.070 2.148 2.106 2.361 . 0 0 "[ . 1 . 2]" 1
1022 1 51 GLN HA 1 56 ALA H . . 5.070 4.619 4.096 5.106 0.036 5 0 "[ . 1 . 2]" 1
1023 1 51 GLN QB 1 52 SER H . . 4.450 3.622 3.131 4.087 . 0 0 "[ . 1 . 2]" 1
1024 1 51 GLN QG 1 52 SER H . . 4.960 3.534 2.777 4.696 . 0 0 "[ . 1 . 2]" 1
1025 1 52 SER H 1 52 SER QB . . 3.900 2.407 2.221 2.662 . 0 0 "[ . 1 . 2]" 1
1026 1 52 SER H 1 54 PHE HD1 . . 5.500 5.179 4.717 5.570 0.070 10 0 "[ . 1 . 2]" 1
1027 1 52 SER H 1 55 GLY H . . 4.600 4.006 3.296 4.518 . 0 0 "[ . 1 . 2]" 1
1028 1 52 SER H 1 56 ALA H . . 3.850 3.322 2.787 3.898 0.048 4 0 "[ . 1 . 2]" 1
1029 1 52 SER H 1 56 ALA MB . . 5.380 4.249 3.652 5.416 0.036 7 0 "[ . 1 . 2]" 1
1030 1 52 SER HA 1 53 SER H . . 3.470 2.477 2.337 2.649 . 0 0 "[ . 1 . 2]" 1
1031 1 52 SER HA 1 54 PHE H . . 4.790 3.985 3.843 4.117 . 0 0 "[ . 1 . 2]" 1
1032 1 52 SER HA 1 55 GLY H . . 5.070 4.913 4.503 5.127 0.057 16 0 "[ . 1 . 2]" 1
1033 1 52 SER QB 1 53 SER H . . 4.040 2.789 2.137 3.324 . 0 0 "[ . 1 . 2]" 1
1034 1 52 SER QB 1 54 PHE H . . 4.670 2.711 2.397 2.946 . 0 0 "[ . 1 . 2]" 1
1035 1 52 SER QB 1 54 PHE HD2 . . 5.500 4.847 3.852 5.653 0.153 1 0 "[ . 1 . 2]" 1
1036 1 52 SER QB 1 54 PHE QE . . 4.620 3.243 2.510 4.295 . 0 0 "[ . 1 . 2]" 1
1037 1 52 SER QB 1 56 ALA H . . 4.940 3.382 2.210 4.110 . 0 0 "[ . 1 . 2]" 1
1038 1 52 SER QB 1 56 ALA MB . . 5.490 3.363 2.389 4.688 . 0 0 "[ . 1 . 2]" 1
1039 1 53 SER H 1 53 SER QB . . 3.070 2.392 2.193 2.556 . 0 0 "[ . 1 . 2]" 1
1040 1 53 SER H 1 54 PHE H . . 3.680 2.658 2.608 2.737 . 0 0 "[ . 1 . 2]" 1
1041 1 53 SER H 1 54 PHE HA . . 5.390 5.202 5.122 5.250 . 0 0 "[ . 1 . 2]" 1
1042 1 53 SER H 1 54 PHE HD1 . . 5.500 5.239 4.229 5.625 0.125 13 0 "[ . 1 . 2]" 1
1043 1 53 SER H 1 55 GLY H . . 5.210 4.412 4.198 4.616 . 0 0 "[ . 1 . 2]" 1
1044 1 53 SER HA 1 55 GLY H . . 4.460 3.735 3.408 4.138 . 0 0 "[ . 1 . 2]" 1
1045 1 54 PHE H 1 54 PHE QB . . 3.570 2.911 2.375 3.268 . 0 0 "[ . 1 . 2]" 1
1046 1 54 PHE H 1 54 PHE HD1 . . 4.040 3.310 2.829 3.667 . 0 0 "[ . 1 . 2]" 1
1047 1 54 PHE H 1 55 GLY H . . 3.380 2.518 2.143 2.802 . 0 0 "[ . 1 . 2]" 1
1048 1 54 PHE H 1 56 ALA H . . 4.500 3.753 3.247 4.249 . 0 0 "[ . 1 . 2]" 1
1049 1 54 PHE HA 1 54 PHE HD1 . . 4.350 4.271 4.110 4.501 0.151 4 0 "[ . 1 . 2]" 1
1050 1 54 PHE HA 1 56 ALA H . . 5.500 4.806 4.212 5.186 . 0 0 "[ . 1 . 2]" 1
1051 1 54 PHE QB 1 54 PHE HD1 . . 3.160 2.485 2.238 2.656 . 0 0 "[ . 1 . 2]" 1
1052 1 54 PHE QB 1 55 GLY H . . 4.010 3.767 3.108 4.040 0.030 8 0 "[ . 1 . 2]" 1
1053 1 54 PHE QB 1 56 ALA H . . 4.780 3.997 2.499 4.843 0.063 10 0 "[ . 1 . 2]" 1
1054 1 54 PHE QB 1 56 ALA MB . . 4.420 3.563 2.379 4.136 . 0 0 "[ . 1 . 2]" 1
1055 1 54 PHE HD1 1 55 GLY H . . 4.910 4.333 3.589 5.039 0.129 6 0 "[ . 1 . 2]" 1
1056 1 54 PHE HD1 1 56 ALA H . . 5.010 3.547 2.483 5.045 0.035 6 0 "[ . 1 . 2]" 1
1057 1 54 PHE HD1 1 56 ALA MB . . 4.200 2.781 2.091 4.249 0.049 20 0 "[ . 1 . 2]" 1
1058 1 55 GLY H 1 56 ALA H . . 3.210 2.614 2.460 2.721 . 0 0 "[ . 1 . 2]" 1
1059 1 55 GLY H 1 56 ALA MB . . 4.510 4.293 4.141 4.384 . 0 0 "[ . 1 . 2]" 1
1060 1 55 GLY QA 1 56 ALA MB . . 5.040 4.068 3.867 4.301 . 0 0 "[ . 1 . 2]" 1
1061 1 56 ALA H 1 56 ALA MB . . 3.140 2.448 2.201 2.598 . 0 0 "[ . 1 . 2]" 1
1062 1 56 ALA H 1 57 THR H . . 4.630 4.511 4.438 4.654 0.024 5 0 "[ . 1 . 2]" 1
1063 1 56 ALA HA 1 57 THR H . . 3.230 2.356 2.211 2.424 . 0 0 "[ . 1 . 2]" 1
1064 1 56 ALA MB 1 57 THR H . . 3.310 2.432 2.294 2.636 . 0 0 "[ . 1 . 2]" 1
1065 1 56 ALA MB 1 58 PRO HA . . 5.490 4.892 4.714 5.074 . 0 0 "[ . 1 . 2]" 1
1066 1 57 THR H 1 57 THR HB . . 3.440 2.446 2.270 2.864 . 0 0 "[ . 1 . 2]" 1
1067 1 57 THR H 1 57 THR MG . . 4.090 3.696 3.616 3.898 . 0 0 "[ . 1 . 2]" 1
1068 1 57 THR HA 1 57 THR MG . . 3.440 2.502 2.175 2.611 . 0 0 "[ . 1 . 2]" 1
1069 1 57 THR HA 1 58 PRO HG2 . . 4.450 4.444 4.378 4.476 0.026 14 0 "[ . 1 . 2]" 1
1070 1 57 THR HA 1 58 PRO HG3 . . 4.740 4.423 4.386 4.443 . 0 0 "[ . 1 . 2]" 1
1071 1 57 THR MG 1 58 PRO HD2 . . 3.490 2.193 2.004 2.298 . 0 0 "[ . 1 . 2]" 1
1072 1 57 THR MG 1 58 PRO HD3 . . 4.500 3.481 3.222 3.604 . 0 0 "[ . 1 . 2]" 1
1073 1 57 THR MG 1 58 PRO HG2 . . 4.570 3.663 3.469 3.780 . 0 0 "[ . 1 . 2]" 1
1074 1 57 THR MG 1 59 VAL QG . . 4.580 3.192 2.628 4.587 0.007 5 0 "[ . 1 . 2]" 1
1075 1 58 PRO HA 1 59 VAL H . . 3.050 2.290 2.231 2.355 . 0 0 "[ . 1 . 2]" 1
1076 1 58 PRO HA 1 59 VAL HB . . 6.000 4.998 4.567 5.673 . 0 0 "[ . 1 . 2]" 1
1077 1 58 PRO HB2 1 59 VAL H . . 4.040 2.909 2.793 3.050 . 0 0 "[ . 1 . 2]" 1
1078 1 58 PRO HB2 1 59 VAL QG . . 4.600 4.454 4.329 4.540 . 0 0 "[ . 1 . 2]" 1
1079 1 58 PRO HB3 1 59 VAL H . . 4.130 3.744 3.689 3.816 . 0 0 "[ . 1 . 2]" 1
1080 1 58 PRO HD2 1 59 VAL H . . 5.500 5.477 5.429 5.510 0.010 7 0 "[ . 1 . 2]" 1
1081 1 58 PRO HG2 1 59 VAL H . . 4.970 4.506 4.407 4.591 . 0 0 "[ . 1 . 2]" 1
1082 1 58 PRO HG3 1 59 VAL H . . 5.500 5.318 5.236 5.409 . 0 0 "[ . 1 . 2]" 1
1083 1 59 VAL H 1 59 VAL HB . . 4.030 3.419 2.820 3.988 . 0 0 "[ . 1 . 2]" 1
1084 1 59 VAL H 1 59 VAL QG . . 4.060 2.532 2.312 2.837 . 0 0 "[ . 1 . 2]" 1
1085 1 59 VAL H 1 60 GLU H . . 4.910 4.404 4.284 4.476 . 0 0 "[ . 1 . 2]" 1
1086 1 59 VAL HA 1 59 VAL QG . . 3.290 2.328 2.118 2.529 . 0 0 "[ . 1 . 2]" 1
1087 1 59 VAL HA 1 60 GLU H . . 2.980 2.299 2.202 2.383 . 0 0 "[ . 1 . 2]" 1
1088 1 59 VAL HA 1 60 GLU HB2 . . 5.150 4.331 4.228 4.439 . 0 0 "[ . 1 . 2]" 1
1089 1 59 VAL HA 1 60 GLU QG . . 5.070 3.632 3.414 3.986 . 0 0 "[ . 1 . 2]" 1
1090 1 59 VAL HB 1 60 GLU H . . 4.010 3.432 2.583 3.990 . 0 0 "[ . 1 . 2]" 1
1091 1 59 VAL QG 1 60 GLU H . . 3.550 2.439 2.100 2.973 . 0 0 "[ . 1 . 2]" 1
1092 1 59 VAL QG 1 60 GLU HA . . 5.500 3.610 3.397 3.839 . 0 0 "[ . 1 . 2]" 1
1093 1 59 VAL QG 1 60 GLU HB2 . . 5.200 4.351 4.085 4.797 . 0 0 "[ . 1 . 2]" 1
1094 1 59 VAL QG 1 61 ILE H . . 5.500 4.657 4.409 4.846 . 0 0 "[ . 1 . 2]" 1
1095 1 60 GLU H 1 60 GLU HB2 . . 3.660 2.519 2.335 2.620 . 0 0 "[ . 1 . 2]" 1
1096 1 60 GLU H 1 60 GLU HB3 . . 3.800 3.718 3.597 3.784 . 0 0 "[ . 1 . 2]" 1
1097 1 60 GLU H 1 60 GLU QG . . 4.270 3.050 2.915 3.296 . 0 0 "[ . 1 . 2]" 1
1098 1 60 GLU H 1 61 ILE H . . 4.870 4.502 4.470 4.552 . 0 0 "[ . 1 . 2]" 1
1099 1 60 GLU HA 1 61 ILE H . . 3.040 2.306 2.263 2.341 . 0 0 "[ . 1 . 2]" 1
1100 1 60 GLU HA 1 61 ILE HG13 . . 5.110 3.316 3.240 3.511 . 0 0 "[ . 1 . 2]" 1
1101 1 60 GLU HB2 1 61 ILE H . . 4.630 3.914 3.843 4.027 . 0 0 "[ . 1 . 2]" 1
1102 1 60 GLU HB3 1 61 ILE H . . 4.520 2.681 2.566 2.891 . 0 0 "[ . 1 . 2]" 1
1103 1 60 GLU QG 1 61 ILE H . . 4.570 3.727 3.433 4.440 . 0 0 "[ . 1 . 2]" 1
1104 1 61 ILE H 1 61 ILE HB . . 3.580 2.781 2.738 2.823 . 0 0 "[ . 1 . 2]" 1
1105 1 61 ILE H 1 61 ILE MD . . 4.120 4.156 4.114 4.180 0.060 16 0 "[ . 1 . 2]" 1
1106 1 61 ILE H 1 61 ILE HG12 . . 4.140 3.952 3.907 4.008 . 0 0 "[ . 1 . 2]" 1
1107 1 61 ILE H 1 61 ILE HG13 . . 3.860 2.893 2.849 2.953 . 0 0 "[ . 1 . 2]" 1
1108 1 61 ILE H 1 61 ILE MG . . 4.010 3.933 3.910 3.953 . 0 0 "[ . 1 . 2]" 1
1109 1 61 ILE H 1 62 VAL H . . 4.770 4.395 4.374 4.410 . 0 0 "[ . 1 . 2]" 1
1110 1 61 ILE HA 1 61 ILE MD . . 4.130 3.868 3.847 3.893 . 0 0 "[ . 1 . 2]" 1
1111 1 61 ILE HA 1 61 ILE HG12 . . 4.230 2.601 2.570 2.639 . 0 0 "[ . 1 . 2]" 1
1112 1 61 ILE HA 1 61 ILE HG13 . . 4.100 3.169 3.147 3.209 . 0 0 "[ . 1 . 2]" 1
1113 1 61 ILE HA 1 61 ILE MG . . 3.310 2.380 2.363 2.412 . 0 0 "[ . 1 . 2]" 1
1114 1 61 ILE HA 1 62 VAL H . . 3.090 2.268 2.246 2.295 . 0 0 "[ . 1 . 2]" 1
1115 1 61 ILE HA 1 62 VAL HB . . 4.800 4.556 4.465 4.677 . 0 0 "[ . 1 . 2]" 1
1116 1 61 ILE HA 1 62 VAL MG2 . . 4.050 3.440 3.246 3.585 . 0 0 "[ . 1 . 2]" 1
1117 1 61 ILE HB 1 61 ILE MD . . 3.600 2.384 2.362 2.399 . 0 0 "[ . 1 . 2]" 1
1118 1 61 ILE MD 1 61 ILE MG . . 2.570 1.981 1.968 1.994 . 0 0 "[ . 1 . 2]" 1
1119 1 61 ILE MD 1 62 VAL H . . 5.190 4.873 4.840 4.930 . 0 0 "[ . 1 . 2]" 1
1120 1 61 ILE MD 1 72 ALA MB . . 3.460 2.678 2.370 2.980 . 0 0 "[ . 1 . 2]" 1
1121 1 61 ILE MD 1 73 ARG H . . 3.700 3.154 2.933 3.321 . 0 0 "[ . 1 . 2]" 1
1122 1 61 ILE MD 1 73 ARG HA . . 3.130 2.111 2.037 2.169 . 0 0 "[ . 1 . 2]" 1
1123 1 61 ILE MD 1 73 ARG HB2 . . 3.470 2.196 2.091 2.252 . 0 0 "[ . 1 . 2]" 1
1124 1 61 ILE MD 1 73 ARG HB3 . . 4.480 3.582 3.525 3.639 . 0 0 "[ . 1 . 2]" 1
1125 1 61 ILE MD 1 73 ARG QD . . 4.550 2.967 2.294 3.966 . 0 0 "[ . 1 . 2]" 1
1126 1 61 ILE MD 1 73 ARG QG . . 4.420 3.344 2.462 3.806 . 0 0 "[ . 1 . 2]" 1
1127 1 61 ILE MD 1 73 ARG HH11 . . 5.500 4.803 4.045 5.579 0.079 12 0 "[ . 1 . 2]" 1
1128 1 61 ILE MD 1 74 ASN H . . 4.990 4.683 4.591 4.764 . 0 0 "[ . 1 . 2]" 1
1129 1 61 ILE MD 1 76 VAL HB . . 3.970 3.907 3.619 4.058 0.088 8 0 "[ . 1 . 2]" 1
1130 1 61 ILE MD 1 77 MET ME . . 5.500 4.074 3.601 4.498 . 0 0 "[ . 1 . 2]" 1
1131 1 61 ILE HG12 1 62 VAL H . . 4.900 4.426 4.381 4.474 . 0 0 "[ . 1 . 2]" 1
1132 1 61 ILE HG13 1 62 VAL H . . 5.460 5.094 5.071 5.126 . 0 0 "[ . 1 . 2]" 1
1133 1 61 ILE MG 1 62 VAL H . . 3.080 2.251 2.214 2.307 . 0 0 "[ . 1 . 2]" 1
1134 1 61 ILE MG 1 63 ALA H . . 4.810 4.452 4.300 4.571 . 0 0 "[ . 1 . 2]" 1
1135 1 61 ILE MG 1 63 ALA MB . . 3.480 3.361 3.191 3.489 0.009 10 0 "[ . 1 . 2]" 1
1136 1 61 ILE MG 1 69 CYS H . . 5.300 5.132 4.978 5.240 . 0 0 "[ . 1 . 2]" 1
1137 1 61 ILE MG 1 69 CYS HA . . 3.440 2.764 2.594 2.926 . 0 0 "[ . 1 . 2]" 1
1138 1 61 ILE MG 1 69 CYS HB2 . . 4.690 4.093 3.973 4.201 . 0 0 "[ . 1 . 2]" 1
1139 1 61 ILE MG 1 69 CYS HB3 . . 4.400 4.443 4.404 4.473 0.073 6 0 "[ . 1 . 2]" 1
1140 1 61 ILE MG 1 72 ALA H . . 4.760 4.110 3.970 4.251 . 0 0 "[ . 1 . 2]" 1
1141 1 61 ILE MG 1 72 ALA MB . . 2.840 2.221 2.085 2.351 . 0 0 "[ . 1 . 2]" 1
1142 1 61 ILE MG 1 73 ARG H . . 4.280 3.798 3.684 3.908 . 0 0 "[ . 1 . 2]" 1
1143 1 62 VAL H 1 62 VAL HB . . 3.400 2.825 2.762 2.928 . 0 0 "[ . 1 . 2]" 1
1144 1 62 VAL H 1 62 VAL MG2 . . 3.260 2.942 2.818 3.059 . 0 0 "[ . 1 . 2]" 1
1145 1 62 VAL H 1 63 ALA H . . 4.590 4.374 4.356 4.411 . 0 0 "[ . 1 . 2]" 1
1146 1 62 VAL HA 1 62 VAL MG1 . . 3.160 2.354 2.286 2.408 . 0 0 "[ . 1 . 2]" 1
1147 1 62 VAL HA 1 62 VAL MG2 . . 3.390 2.420 2.365 2.488 . 0 0 "[ . 1 . 2]" 1
1148 1 62 VAL HA 1 63 ALA H . . 2.930 2.223 2.182 2.252 . 0 0 "[ . 1 . 2]" 1
1149 1 62 VAL HA 1 63 ALA MB . . 4.280 3.924 3.853 3.984 . 0 0 "[ . 1 . 2]" 1
1150 1 62 VAL HB 1 63 ALA H . . 4.450 4.022 3.950 4.093 . 0 0 "[ . 1 . 2]" 1
1151 1 62 VAL MG1 1 63 ALA H . . 3.140 2.385 2.315 2.475 . 0 0 "[ . 1 . 2]" 1
1152 1 62 VAL MG1 1 63 ALA HA . . 4.180 3.334 3.182 3.483 . 0 0 "[ . 1 . 2]" 1
1153 1 63 ALA H 1 63 ALA MB . . 3.500 2.763 2.728 2.786 . 0 0 "[ . 1 . 2]" 1
1154 1 63 ALA H 1 64 GLN HA . . 5.500 4.805 4.729 4.926 . 0 0 "[ . 1 . 2]" 1
1155 1 63 ALA H 1 65 ASN H . . 4.940 4.698 4.537 4.896 . 0 0 "[ . 1 . 2]" 1
1156 1 63 ALA H 1 69 CYS HB2 . . 4.820 3.982 3.639 4.306 . 0 0 "[ . 1 . 2]" 1
1157 1 63 ALA HA 1 64 GLN H . . 3.330 2.475 2.414 2.551 . 0 0 "[ . 1 . 2]" 1
1158 1 63 ALA HA 1 64 GLN QB . . 5.140 4.327 4.101 4.746 . 0 0 "[ . 1 . 2]" 1
1159 1 63 ALA MB 1 64 GLN H . . 3.010 2.348 2.232 2.430 . 0 0 "[ . 1 . 2]" 1
1160 1 63 ALA MB 1 64 GLN HA . . 4.400 4.315 4.259 4.354 . 0 0 "[ . 1 . 2]" 1
1161 1 63 ALA MB 1 64 GLN QB . . 4.030 3.884 3.725 4.044 0.014 9 0 "[ . 1 . 2]" 1
1162 1 63 ALA MB 1 64 GLN QG . . 5.500 4.935 3.934 5.310 . 0 0 "[ . 1 . 2]" 1
1163 1 63 ALA MB 1 65 ASN H . . 3.090 2.470 2.380 2.591 . 0 0 "[ . 1 . 2]" 1
1164 1 63 ALA MB 1 68 GLN H . . 4.360 3.724 3.555 3.917 . 0 0 "[ . 1 . 2]" 1
1165 1 63 ALA MB 1 68 GLN QB . . 3.500 2.337 1.997 2.700 . 0 0 "[ . 1 . 2]" 1
1166 1 63 ALA MB 1 68 GLN QE . . 4.900 3.926 3.266 4.992 0.092 11 0 "[ . 1 . 2]" 1
1167 1 63 ALA MB 1 68 GLN QG . . 4.620 4.114 3.310 4.537 . 0 0 "[ . 1 . 2]" 1
1168 1 63 ALA MB 1 69 CYS H . . 3.450 2.941 2.794 3.051 . 0 0 "[ . 1 . 2]" 1
1169 1 63 ALA MB 1 69 CYS HA . . 3.370 2.652 2.505 2.843 . 0 0 "[ . 1 . 2]" 1
1170 1 63 ALA MB 1 69 CYS HB2 . . 3.200 2.006 1.957 2.132 . 0 0 "[ . 1 . 2]" 1
1171 1 63 ALA MB 1 69 CYS HB3 . . 4.310 3.582 3.518 3.675 . 0 0 "[ . 1 . 2]" 1
1172 1 63 ALA MB 1 70 GLN H . . 4.830 4.755 4.648 4.845 0.015 12 0 "[ . 1 . 2]" 1
1173 1 64 GLN H 1 64 GLN QB . . 3.250 2.275 2.183 2.497 . 0 0 "[ . 1 . 2]" 1
1174 1 64 GLN H 1 64 GLN QG . . 4.350 3.539 2.021 4.014 . 0 0 "[ . 1 . 2]" 1
1175 1 64 GLN H 1 65 ASN H . . 3.130 2.573 2.505 2.647 . 0 0 "[ . 1 . 2]" 1
1176 1 64 GLN H 1 68 GLN QB . . 4.670 3.877 3.277 4.187 . 0 0 "[ . 1 . 2]" 1
1177 1 64 GLN HA 1 64 GLN QG . . 3.860 2.696 2.363 3.087 . 0 0 "[ . 1 . 2]" 1
1178 1 64 GLN QB 1 65 ASN H . . 3.540 3.076 2.824 3.214 . 0 0 "[ . 1 . 2]" 1
1179 1 64 GLN QB 1 65 ASN QD . . 4.350 3.223 2.292 4.469 0.119 13 0 "[ . 1 . 2]" 1
1180 1 64 GLN QG 1 65 ASN H . . 4.830 4.120 3.862 4.650 . 0 0 "[ . 1 . 2]" 1
1181 1 64 GLN QG 1 65 ASN QB . . 5.150 4.007 3.077 5.324 0.174 1 0 "[ . 1 . 2]" 1
1182 1 64 GLN QG 1 65 ASN QD . . 5.080 3.575 2.408 4.761 . 0 0 "[ . 1 . 2]" 1
1183 1 65 ASN H 1 65 ASN QB . . 3.620 3.153 2.725 3.313 . 0 0 "[ . 1 . 2]" 1
1184 1 65 ASN H 1 65 ASN QD . . 4.080 3.830 3.324 4.119 0.039 11 0 "[ . 1 . 2]" 1
1185 1 65 ASN H 1 66 LYS H . . 4.440 4.413 4.392 4.425 . 0 0 "[ . 1 . 2]" 1
1186 1 65 ASN H 1 68 GLN H . . 4.440 4.040 3.638 4.338 . 0 0 "[ . 1 . 2]" 1
1187 1 65 ASN H 1 68 GLN QB . . 4.420 3.273 2.741 3.699 . 0 0 "[ . 1 . 2]" 1
1188 1 65 ASN H 1 68 GLN QG . . 5.270 4.570 3.647 5.051 . 0 0 "[ . 1 . 2]" 1
1189 1 65 ASN H 1 69 CYS HB2 . . 4.860 4.098 3.876 4.294 . 0 0 "[ . 1 . 2]" 1
1190 1 65 ASN HA 1 66 LYS H . . 3.220 2.413 2.309 2.509 . 0 0 "[ . 1 . 2]" 1
1191 1 65 ASN HA 1 67 GLU H . . 4.720 4.044 3.849 4.333 . 0 0 "[ . 1 . 2]" 1
1192 1 65 ASN QB 1 66 LYS H . . 3.180 2.493 2.274 2.742 . 0 0 "[ . 1 . 2]" 1
1193 1 65 ASN QB 1 66 LYS QB . . 4.740 4.137 3.929 4.272 . 0 0 "[ . 1 . 2]" 1
1194 1 65 ASN QB 1 67 GLU H . . 3.690 2.490 2.287 2.872 . 0 0 "[ . 1 . 2]" 1
1195 1 65 ASN QB 1 67 GLU QB . . 4.280 3.212 2.625 3.882 . 0 0 "[ . 1 . 2]" 1
1196 1 65 ASN QB 1 68 GLN H . . 4.530 3.928 2.972 4.485 . 0 0 "[ . 1 . 2]" 1
1197 1 65 ASN QD 1 66 LYS H . . 5.500 5.085 3.809 5.368 . 0 0 "[ . 1 . 2]" 1
1198 1 65 ASN QD 1 67 GLU QB . . 5.280 3.458 2.001 4.519 . 0 0 "[ . 1 . 2]" 1
1199 1 65 ASN QD 1 68 GLN H . . 4.830 4.678 3.511 4.926 0.096 1 0 "[ . 1 . 2]" 1
1200 1 65 ASN QD 1 68 GLN QG . . 4.260 3.210 2.552 3.474 . 0 0 "[ . 1 . 2]" 1
1201 1 66 LYS H 1 66 LYS QB . . 3.020 2.395 2.349 2.458 . 0 0 "[ . 1 . 2]" 1
1202 1 66 LYS H 1 66 LYS QD . . 4.380 3.840 3.668 4.315 . 0 0 "[ . 1 . 2]" 1
1203 1 66 LYS H 1 66 LYS QE . . 4.780 4.395 3.900 4.882 0.102 2 0 "[ . 1 . 2]" 1
1204 1 66 LYS H 1 66 LYS HG2 . . 4.190 3.457 3.328 3.576 . 0 0 "[ . 1 . 2]" 1
1205 1 66 LYS H 1 66 LYS HG3 . . 3.760 2.264 2.144 2.387 . 0 0 "[ . 1 . 2]" 1
1206 1 66 LYS H 1 67 GLU H . . 3.390 2.565 2.508 2.672 . 0 0 "[ . 1 . 2]" 1
1207 1 66 LYS H 1 68 GLN H . . 4.920 4.250 4.089 4.363 . 0 0 "[ . 1 . 2]" 1
1208 1 66 LYS H 1 69 CYS H . . 4.940 4.715 4.612 4.816 . 0 0 "[ . 1 . 2]" 1
1209 1 66 LYS H 1 69 CYS HB3 . . 5.500 5.130 4.967 5.327 . 0 0 "[ . 1 . 2]" 1
1210 1 66 LYS HA 1 66 LYS QD . . 4.540 3.981 3.907 4.221 . 0 0 "[ . 1 . 2]" 1
1211 1 66 LYS HA 1 66 LYS HG2 . . 4.210 2.470 2.355 2.544 . 0 0 "[ . 1 . 2]" 1
1212 1 66 LYS HA 1 66 LYS HG3 . . 4.160 3.061 2.978 3.180 . 0 0 "[ . 1 . 2]" 1
1213 1 66 LYS HA 1 69 CYS HB2 . . 3.700 3.023 2.731 3.214 . 0 0 "[ . 1 . 2]" 1
1214 1 66 LYS HA 1 69 CYS HB3 . . 3.790 2.390 2.177 2.559 . 0 0 "[ . 1 . 2]" 1
1215 1 66 LYS HA 1 70 GLN H . . 3.670 3.276 3.059 3.489 . 0 0 "[ . 1 . 2]" 1
1216 1 66 LYS QB 1 66 LYS QD . . 3.090 2.165 2.093 2.369 . 0 0 "[ . 1 . 2]" 1
1217 1 66 LYS QB 1 66 LYS QE . . 4.150 3.266 1.966 3.656 . 0 0 "[ . 1 . 2]" 1
1218 1 66 LYS QB 1 67 GLU H . . 3.380 3.033 2.845 3.186 . 0 0 "[ . 1 . 2]" 1
1219 1 66 LYS QB 1 67 GLU QB . . 5.210 4.685 4.154 4.836 . 0 0 "[ . 1 . 2]" 1
1220 1 66 LYS QB 1 69 CYS H . . 5.050 4.516 4.373 4.631 . 0 0 "[ . 1 . 2]" 1
1221 1 66 LYS QB 1 69 CYS HB3 . . 4.760 4.091 3.839 4.329 . 0 0 "[ . 1 . 2]" 1
1222 1 66 LYS QB 1 70 GLN HE21 . . 4.840 3.112 2.715 3.512 . 0 0 "[ . 1 . 2]" 1
1223 1 66 LYS QD 1 70 GLN HE21 . . 4.910 3.223 2.599 4.635 . 0 0 "[ . 1 . 2]" 1
1224 1 66 LYS QE 1 66 LYS HG2 . . 3.470 2.685 2.361 3.515 0.045 20 0 "[ . 1 . 2]" 1
1225 1 66 LYS QE 1 66 LYS HG3 . . 3.770 2.591 2.365 3.336 . 0 0 "[ . 1 . 2]" 1
1226 1 66 LYS QE 1 70 GLN HE21 . . 5.160 4.270 2.566 4.949 . 0 0 "[ . 1 . 2]" 1
1227 1 66 LYS QE 1 70 GLN HE22 . . 5.500 5.299 3.749 5.576 0.076 4 0 "[ . 1 . 2]" 1
1228 1 66 LYS HG2 1 67 GLU H . . 5.170 5.143 5.080 5.190 0.020 4 0 "[ . 1 . 2]" 1
1229 1 66 LYS HG2 1 69 CYS HB2 . . 4.820 4.648 4.099 4.875 0.055 4 0 "[ . 1 . 2]" 1
1230 1 66 LYS HG2 1 70 GLN HE22 . . 5.190 5.124 4.584 5.242 0.052 2 0 "[ . 1 . 2]" 1
1231 1 66 LYS HG3 1 67 GLU H . . 4.610 4.499 4.376 4.638 0.028 13 0 "[ . 1 . 2]" 1
1232 1 66 LYS HG3 1 70 GLN HE21 . . 5.300 5.189 4.741 5.335 0.035 6 0 "[ . 1 . 2]" 1
1233 1 67 GLU H 1 67 GLU QB . . 3.080 2.395 2.160 2.486 . 0 0 "[ . 1 . 2]" 1
1234 1 67 GLU H 1 67 GLU QG . . 4.050 2.556 2.053 3.958 . 0 0 "[ . 1 . 2]" 1
1235 1 67 GLU H 1 69 CYS H . . 4.560 3.987 3.889 4.063 . 0 0 "[ . 1 . 2]" 1
1236 1 67 GLU HA 1 67 GLU QG . . 3.880 2.640 2.284 3.089 . 0 0 "[ . 1 . 2]" 1
1237 1 67 GLU HA 1 69 CYS H . . 5.320 4.618 4.485 4.763 . 0 0 "[ . 1 . 2]" 1
1238 1 67 GLU HA 1 70 GLN H . . 4.800 4.448 4.245 4.625 . 0 0 "[ . 1 . 2]" 1
1239 1 67 GLU HA 1 70 GLN QG . . 4.900 4.504 4.211 4.951 0.051 7 0 "[ . 1 . 2]" 1
1240 1 67 GLU HA 1 71 GLU H . . 5.260 4.912 4.624 5.251 . 0 0 "[ . 1 . 2]" 1
1241 1 67 GLU QB 1 68 GLN H . . 3.720 3.307 3.123 3.431 . 0 0 "[ . 1 . 2]" 1
1242 1 67 GLU QG 1 68 GLN H . . 5.140 4.399 4.019 4.810 . 0 0 "[ . 1 . 2]" 1
1243 1 68 GLN H 1 68 GLN QB . . 3.700 2.563 2.469 2.623 . 0 0 "[ . 1 . 2]" 1
1244 1 68 GLN H 1 68 GLN QG . . 3.600 2.935 2.729 3.053 . 0 0 "[ . 1 . 2]" 1
1245 1 68 GLN H 1 69 CYS H . . 3.340 1.839 1.787 1.978 . 0 0 "[ . 1 . 2]" 1
1246 1 68 GLN H 1 69 CYS HB2 . . 5.020 3.965 3.923 4.037 . 0 0 "[ . 1 . 2]" 1
1247 1 68 GLN H 1 70 GLN H . . 4.720 3.523 3.408 3.748 . 0 0 "[ . 1 . 2]" 1
1248 1 68 GLN HA 1 68 GLN QE . . 4.800 4.072 2.659 4.716 . 0 0 "[ . 1 . 2]" 1
1249 1 68 GLN HA 1 68 GLN QG . . 3.780 2.543 2.387 3.002 . 0 0 "[ . 1 . 2]" 1
1250 1 68 GLN HA 1 71 GLU H . . 3.920 3.368 3.121 3.691 . 0 0 "[ . 1 . 2]" 1
1251 1 68 GLN HA 1 71 GLU HB2 . . 4.330 2.823 2.632 3.196 . 0 0 "[ . 1 . 2]" 1
1252 1 68 GLN HA 1 71 GLU HB3 . . 4.830 4.369 4.184 4.747 . 0 0 "[ . 1 . 2]" 1
1253 1 68 GLN HA 1 71 GLU QG . . 4.990 2.801 2.425 3.103 . 0 0 "[ . 1 . 2]" 1
1254 1 68 GLN HA 1 72 ALA H . . 4.840 4.341 4.076 4.679 . 0 0 "[ . 1 . 2]" 1
1255 1 68 GLN QB 1 69 CYS H . . 3.640 2.959 2.809 3.072 . 0 0 "[ . 1 . 2]" 1
1256 1 68 GLN QB 1 69 CYS HB2 . . 5.500 4.194 3.981 4.293 . 0 0 "[ . 1 . 2]" 1
1257 1 68 GLN QG 1 69 CYS H . . 4.860 4.253 4.157 4.343 . 0 0 "[ . 1 . 2]" 1
1258 1 69 CYS H 1 69 CYS HB2 . . 3.230 2.370 2.297 2.431 . 0 0 "[ . 1 . 2]" 1
1259 1 69 CYS H 1 69 CYS HB3 . . 3.420 2.626 2.587 2.667 . 0 0 "[ . 1 . 2]" 1
1260 1 69 CYS H 1 70 GLN H . . 3.300 2.496 2.409 2.585 . 0 0 "[ . 1 . 2]" 1
1261 1 69 CYS H 1 71 GLU H . . 4.570 3.909 3.847 3.999 . 0 0 "[ . 1 . 2]" 1
1262 1 69 CYS H 1 72 ALA MB . . 5.430 5.062 4.735 5.438 0.008 17 0 "[ . 1 . 2]" 1
1263 1 69 CYS HA 1 72 ALA MB . . 3.490 2.976 2.637 3.375 . 0 0 "[ . 1 . 2]" 1
1264 1 69 CYS HB2 1 70 GLN H . . 3.720 3.781 3.747 3.805 0.085 16 0 "[ . 1 . 2]" 1
1265 1 69 CYS HB3 1 70 GLN H . . 3.520 2.656 2.617 2.742 . 0 0 "[ . 1 . 2]" 1
1266 1 69 CYS HB3 1 70 GLN HB2 . . 5.500 4.813 4.705 4.886 . 0 0 "[ . 1 . 2]" 1
1267 1 69 CYS HB3 1 70 GLN QG . . 4.610 3.110 2.984 3.175 . 0 0 "[ . 1 . 2]" 1
1268 1 70 GLN H 1 70 GLN HB2 . . 3.160 2.408 2.378 2.456 . 0 0 "[ . 1 . 2]" 1
1269 1 70 GLN H 1 70 GLN HB3 . . 3.750 3.585 3.575 3.600 . 0 0 "[ . 1 . 2]" 1
1270 1 70 GLN H 1 70 GLN QG . . 3.630 2.263 2.156 2.309 . 0 0 "[ . 1 . 2]" 1
1271 1 70 GLN H 1 71 GLU H . . 3.440 2.560 2.525 2.597 . 0 0 "[ . 1 . 2]" 1
1272 1 70 GLN H 1 71 GLU QG . . 4.680 3.871 3.801 3.967 . 0 0 "[ . 1 . 2]" 1
1273 1 70 GLN H 1 72 ALA H . . 5.010 4.125 3.972 4.285 . 0 0 "[ . 1 . 2]" 1
1274 1 70 GLN H 1 73 ARG H . . 5.280 4.697 4.645 4.768 . 0 0 "[ . 1 . 2]" 1
1275 1 70 GLN HA 1 73 ARG H . . 4.030 3.167 3.085 3.223 . 0 0 "[ . 1 . 2]" 1
1276 1 70 GLN HA 1 73 ARG HB2 . . 4.480 3.196 2.974 3.315 . 0 0 "[ . 1 . 2]" 1
1277 1 70 GLN HA 1 73 ARG HB3 . . 4.170 2.336 2.119 2.763 . 0 0 "[ . 1 . 2]" 1
1278 1 70 GLN HA 1 73 ARG QD . . 5.500 4.455 3.249 5.081 . 0 0 "[ . 1 . 2]" 1
1279 1 70 GLN HA 1 73 ARG QG . . 5.500 3.897 3.438 4.720 . 0 0 "[ . 1 . 2]" 1
1280 1 70 GLN HA 1 74 ASN H . . 4.370 3.930 3.863 4.098 . 0 0 "[ . 1 . 2]" 1
1281 1 70 GLN HA 1 74 ASN HD21 . . 4.230 3.913 3.567 4.368 0.138 4 0 "[ . 1 . 2]" 1
1282 1 70 GLN HA 1 74 ASN HD22 . . 4.380 4.305 4.141 4.424 0.044 7 0 "[ . 1 . 2]" 1
1283 1 70 GLN HB2 1 71 GLU H . . 3.720 2.884 2.720 3.028 . 0 0 "[ . 1 . 2]" 1
1284 1 70 GLN HB3 1 71 GLU H . . 3.850 3.857 3.770 3.911 0.061 9 0 "[ . 1 . 2]" 1
1285 1 70 GLN HB3 1 74 ASN QB . . 4.650 4.757 4.683 4.826 0.176 7 0 "[ . 1 . 2]" 1
1286 1 70 GLN HB3 1 74 ASN HD22 . . 5.180 3.139 2.899 3.350 . 0 0 "[ . 1 . 2]" 1
1287 1 70 GLN QG 1 74 ASN HD21 . . 5.500 4.974 4.551 5.188 . 0 0 "[ . 1 . 2]" 1
1288 1 71 GLU H 1 71 GLU HB2 . . 3.380 2.488 2.454 2.509 . 0 0 "[ . 1 . 2]" 1
1289 1 71 GLU H 1 71 GLU HB3 . . 3.640 3.592 3.584 3.605 . 0 0 "[ . 1 . 2]" 1
1290 1 71 GLU H 1 71 GLU QG . . 3.420 2.108 2.062 2.170 . 0 0 "[ . 1 . 2]" 1
1291 1 71 GLU H 1 72 ALA H . . 3.260 2.527 2.486 2.578 . 0 0 "[ . 1 . 2]" 1
1292 1 71 GLU H 1 72 ALA MB . . 4.620 4.205 4.154 4.265 . 0 0 "[ . 1 . 2]" 1
1293 1 71 GLU H 1 73 ARG H . . 4.440 3.840 3.756 3.943 . 0 0 "[ . 1 . 2]" 1
1294 1 71 GLU H 1 73 ARG HB3 . . 5.350 4.902 4.683 5.306 . 0 0 "[ . 1 . 2]" 1
1295 1 71 GLU H 1 74 ASN H . . 4.850 4.814 4.733 4.878 0.028 5 0 "[ . 1 . 2]" 1
1296 1 71 GLU HA 1 71 GLU QG . . 3.820 2.995 2.936 3.025 . 0 0 "[ . 1 . 2]" 1
1297 1 71 GLU HA 1 74 ASN H . . 4.590 3.544 3.429 3.678 . 0 0 "[ . 1 . 2]" 1
1298 1 71 GLU HA 1 74 ASN QB . . 3.650 3.016 2.798 3.235 . 0 0 "[ . 1 . 2]" 1
1299 1 71 GLU HA 1 74 ASN HD21 . . 4.650 3.390 3.263 3.530 . 0 0 "[ . 1 . 2]" 1
1300 1 71 GLU HA 1 75 ALA H . . 5.130 4.415 4.095 4.844 . 0 0 "[ . 1 . 2]" 1
1301 1 71 GLU HB2 1 72 ALA H . . 3.550 2.806 2.743 2.839 . 0 0 "[ . 1 . 2]" 1
1302 1 71 GLU HB2 1 72 ALA MB . . 4.040 3.942 3.889 4.023 . 0 0 "[ . 1 . 2]" 1
1303 1 71 GLU HB3 1 72 ALA H . . 4.460 3.896 3.856 3.938 . 0 0 "[ . 1 . 2]" 1
1304 1 71 GLU QG 1 72 ALA H . . 4.350 4.040 4.005 4.108 . 0 0 "[ . 1 . 2]" 1
1305 1 72 ALA H 1 72 ALA MB . . 2.880 2.206 2.195 2.219 . 0 0 "[ . 1 . 2]" 1
1306 1 72 ALA H 1 73 ARG H . . 3.330 2.439 2.374 2.506 . 0 0 "[ . 1 . 2]" 1
1307 1 72 ALA H 1 73 ARG HB3 . . 4.950 4.496 4.354 4.788 . 0 0 "[ . 1 . 2]" 1
1308 1 72 ALA H 1 74 ASN H . . 4.730 4.237 4.073 4.332 . 0 0 "[ . 1 . 2]" 1
1309 1 72 ALA HA 1 75 ALA H . . 3.720 3.446 3.150 3.699 . 0 0 "[ . 1 . 2]" 1
1310 1 72 ALA HA 1 75 ALA MB . . 3.120 2.523 2.278 2.804 . 0 0 "[ . 1 . 2]" 1
1311 1 72 ALA MB 1 73 ARG H . . 3.240 2.846 2.704 2.992 . 0 0 "[ . 1 . 2]" 1
1312 1 72 ALA MB 1 73 ARG HB3 . . 5.120 4.691 4.532 4.897 . 0 0 "[ . 1 . 2]" 1
1313 1 72 ALA MB 1 75 ALA H . . 5.050 4.577 4.367 4.838 . 0 0 "[ . 1 . 2]" 1
1314 1 72 ALA MB 1 75 ALA MB . . 4.330 3.791 3.608 4.084 . 0 0 "[ . 1 . 2]" 1
1315 1 72 ALA MB 1 76 VAL MG2 . . 4.570 3.864 3.199 4.133 . 0 0 "[ . 1 . 2]" 1
1316 1 73 ARG H 1 73 ARG HB2 . . 3.370 2.694 2.538 2.805 . 0 0 "[ . 1 . 2]" 1
1317 1 73 ARG H 1 73 ARG HB3 . . 3.270 2.308 2.192 2.479 . 0 0 "[ . 1 . 2]" 1
1318 1 73 ARG H 1 73 ARG QD . . 4.300 4.323 4.256 4.360 0.060 6 0 "[ . 1 . 2]" 1
1319 1 73 ARG H 1 73 ARG QG . . 4.770 3.926 3.853 3.986 . 0 0 "[ . 1 . 2]" 1
1320 1 73 ARG H 1 74 ASN H . . 3.290 2.574 2.443 2.693 . 0 0 "[ . 1 . 2]" 1
1321 1 73 ARG H 1 74 ASN QB . . 5.180 4.470 4.374 4.613 . 0 0 "[ . 1 . 2]" 1
1322 1 73 ARG HA 1 73 ARG QD . . 4.280 2.899 2.193 4.115 . 0 0 "[ . 1 . 2]" 1
1323 1 73 ARG HA 1 73 ARG QG . . 3.940 2.931 2.450 3.199 . 0 0 "[ . 1 . 2]" 1
1324 1 73 ARG HA 1 76 VAL HB . . 3.890 3.582 3.284 3.808 . 0 0 "[ . 1 . 2]" 1
1325 1 73 ARG HA 1 77 MET H . . 5.400 5.156 4.573 5.468 0.068 3 0 "[ . 1 . 2]" 1
1326 1 73 ARG HB2 1 73 ARG HH11 . . 5.030 4.171 3.393 4.789 . 0 0 "[ . 1 . 2]" 1
1327 1 73 ARG HB2 1 74 ASN H . . 4.150 3.881 3.706 4.080 . 0 0 "[ . 1 . 2]" 1
1328 1 73 ARG HB3 1 73 ARG QD . . 3.840 2.952 2.201 3.348 . 0 0 "[ . 1 . 2]" 1
1329 1 73 ARG HB3 1 73 ARG HH11 . . 4.930 4.101 3.494 4.328 . 0 0 "[ . 1 . 2]" 1
1330 1 73 ARG HB3 1 74 ASN H . . 3.490 2.495 2.235 2.773 . 0 0 "[ . 1 . 2]" 1
1331 1 73 ARG HB3 1 75 ALA H . . 5.000 4.718 4.529 4.885 . 0 0 "[ . 1 . 2]" 1
1332 1 73 ARG QD 1 73 ARG HH11 . . 3.290 2.044 1.838 2.302 . 0 0 "[ . 1 . 2]" 1
1333 1 73 ARG QD 1 74 ASN H . . 4.400 4.152 3.541 4.459 0.059 9 0 "[ . 1 . 2]" 1
1334 1 73 ARG QD 1 74 ASN HA . . 4.360 4.314 4.164 4.392 0.032 17 0 "[ . 1 . 2]" 1
1335 1 73 ARG QD 1 77 MET ME . . 4.420 3.298 2.163 4.498 0.078 12 0 "[ . 1 . 2]" 1
1336 1 73 ARG QD 1 77 MET HG2 . . 4.490 3.595 2.550 4.618 0.128 11 0 "[ . 1 . 2]" 1
1337 1 73 ARG QD 1 77 MET HG3 . . 4.350 3.704 2.885 4.386 0.036 4 0 "[ . 1 . 2]" 1
1338 1 73 ARG QG 1 73 ARG HH11 . . 4.440 2.146 1.841 2.455 . 0 0 "[ . 1 . 2]" 1
1339 1 73 ARG QG 1 74 ASN H . . 4.310 3.284 2.920 3.647 . 0 0 "[ . 1 . 2]" 1
1340 1 73 ARG QG 1 75 ALA H . . 5.500 4.891 4.680 5.148 . 0 0 "[ . 1 . 2]" 1
1341 1 73 ARG QG 1 77 MET H . . 5.500 5.095 3.986 5.658 0.158 17 0 "[ . 1 . 2]" 1
1342 1 73 ARG QG 1 77 MET ME . . 4.600 3.738 2.679 4.626 0.026 17 0 "[ . 1 . 2]" 1
1343 1 73 ARG QG 1 77 MET HG2 . . 4.840 3.566 2.511 4.567 . 0 0 "[ . 1 . 2]" 1
1344 1 73 ARG QG 1 77 MET HG3 . . 4.340 3.449 2.398 3.945 . 0 0 "[ . 1 . 2]" 1
1345 1 73 ARG HH11 1 74 ASN H . . 6.000 5.199 4.272 6.265 0.265 5 0 "[ . 1 . 2]" 1
1346 1 73 ARG HH11 1 77 MET ME . . 4.160 4.028 3.450 4.341 0.181 16 0 "[ . 1 . 2]" 1
1347 1 74 ASN H 1 74 ASN QB . . 2.990 2.271 2.232 2.329 . 0 0 "[ . 1 . 2]" 1
1348 1 74 ASN H 1 74 ASN HD21 . . 4.460 2.889 2.505 3.420 . 0 0 "[ . 1 . 2]" 1
1349 1 74 ASN H 1 74 ASN HD22 . . 4.920 3.950 3.741 4.182 . 0 0 "[ . 1 . 2]" 1
1350 1 74 ASN H 1 75 ALA H . . 3.290 2.614 2.391 2.702 . 0 0 "[ . 1 . 2]" 1
1351 1 74 ASN H 1 75 ALA HA . . 5.170 5.189 5.000 5.278 0.108 7 0 "[ . 1 . 2]" 1
1352 1 74 ASN H 1 75 ALA MB . . 4.220 4.236 4.053 4.309 0.089 7 0 "[ . 1 . 2]" 1
1353 1 74 ASN HA 1 74 ASN HD21 . . 4.760 4.144 3.913 4.446 . 0 0 "[ . 1 . 2]" 1
1354 1 74 ASN HA 1 76 VAL H . . 4.490 3.760 3.228 4.306 . 0 0 "[ . 1 . 2]" 1
1355 1 74 ASN HA 1 77 MET H . . 4.000 3.286 2.901 3.674 . 0 0 "[ . 1 . 2]" 1
1356 1 74 ASN HA 1 77 MET QB . . 3.860 2.817 2.445 3.218 . 0 0 "[ . 1 . 2]" 1
1357 1 74 ASN HA 1 77 MET ME . . 5.220 4.904 4.088 5.331 0.111 9 0 "[ . 1 . 2]" 1
1358 1 74 ASN HA 1 77 MET HG2 . . 4.940 3.273 2.345 3.915 . 0 0 "[ . 1 . 2]" 1
1359 1 74 ASN HA 1 77 MET HG3 . . 4.760 3.310 2.756 3.955 . 0 0 "[ . 1 . 2]" 1
1360 1 74 ASN QB 1 74 ASN HD21 . . 3.080 2.198 2.165 2.229 . 0 0 "[ . 1 . 2]" 1
1361 1 74 ASN QB 1 74 ASN HD22 . . 3.520 3.305 3.278 3.332 . 0 0 "[ . 1 . 2]" 1
1362 1 74 ASN QB 1 75 ALA H . . 3.670 3.219 3.137 3.334 . 0 0 "[ . 1 . 2]" 1
1363 1 74 ASN QB 1 75 ALA HA . . 4.820 4.181 4.128 4.246 . 0 0 "[ . 1 . 2]" 1
1364 1 74 ASN QB 1 75 ALA MB . . 4.390 4.149 4.098 4.201 . 0 0 "[ . 1 . 2]" 1
1365 1 74 ASN QB 1 76 VAL H . . 5.500 4.769 4.432 5.078 . 0 0 "[ . 1 . 2]" 1
1366 1 75 ALA H 1 75 ALA MB . . 2.830 2.217 2.200 2.237 . 0 0 "[ . 1 . 2]" 1
1367 1 75 ALA H 1 76 VAL H . . 3.110 2.516 2.394 2.626 . 0 0 "[ . 1 . 2]" 1
1368 1 75 ALA H 1 76 VAL HB . . 4.730 4.644 4.532 4.746 0.016 13 0 "[ . 1 . 2]" 1
1369 1 75 ALA H 1 76 VAL MG2 . . 4.390 3.716 3.503 3.959 . 0 0 "[ . 1 . 2]" 1
1370 1 75 ALA MB 1 76 VAL H . . 3.500 3.028 2.627 3.331 . 0 0 "[ . 1 . 2]" 1
1371 1 75 ALA MB 1 76 VAL HB . . 5.270 4.573 4.429 4.712 . 0 0 "[ . 1 . 2]" 1
1372 1 75 ALA MB 1 76 VAL MG2 . . 3.810 2.771 2.628 2.976 . 0 0 "[ . 1 . 2]" 1
1373 1 75 ALA MB 1 77 MET H . . 5.100 4.533 4.231 4.779 . 0 0 "[ . 1 . 2]" 1
1374 1 76 VAL H 1 76 VAL HB . . 3.160 2.523 2.330 2.718 . 0 0 "[ . 1 . 2]" 1
1375 1 76 VAL H 1 76 VAL MG1 . . 4.030 3.829 3.737 3.925 . 0 0 "[ . 1 . 2]" 1
1376 1 76 VAL H 1 76 VAL MG2 . . 3.070 2.499 2.205 2.827 . 0 0 "[ . 1 . 2]" 1
1377 1 76 VAL H 1 77 MET H . . 3.310 2.209 1.819 2.520 . 0 0 "[ . 1 . 2]" 1
1378 1 76 VAL H 1 77 MET HA . . 5.500 4.794 4.555 5.047 . 0 0 "[ . 1 . 2]" 1
1379 1 76 VAL H 1 77 MET QB . . 5.010 4.203 3.868 4.537 . 0 0 "[ . 1 . 2]" 1
1380 1 76 VAL H 1 77 MET HG3 . . 4.980 5.033 4.901 5.133 0.153 9 0 "[ . 1 . 2]" 1
1381 1 76 VAL HA 1 76 VAL MG1 . . 3.250 2.409 2.334 2.482 . 0 0 "[ . 1 . 2]" 1
1382 1 76 VAL HA 1 76 VAL MG2 . . 3.000 2.365 2.308 2.413 . 0 0 "[ . 1 . 2]" 1
1383 1 76 VAL HA 1 78 SER H . . 5.490 3.726 3.598 3.990 . 0 0 "[ . 1 . 2]" 1
1384 1 76 VAL HA 1 79 LEU H . . 4.510 4.168 3.776 4.409 . 0 0 "[ . 1 . 2]" 1
1385 1 76 VAL HA 1 79 LEU HB2 . . 5.090 4.553 4.400 4.618 . 0 0 "[ . 1 . 2]" 1
1386 1 76 VAL HA 1 79 LEU HB3 . . 6.000 6.021 5.832 6.096 0.096 9 0 "[ . 1 . 2]" 1
1387 1 76 VAL HA 1 79 LEU HG . . 6.000 6.015 5.918 6.058 0.058 8 0 "[ . 1 . 2]" 1
1388 1 76 VAL HA 1 80 MET H . . 5.050 2.588 2.458 2.923 . 0 0 "[ . 1 . 2]" 1
1389 1 76 VAL HB 1 77 MET H . . 3.620 3.444 3.207 3.640 0.020 13 0 "[ . 1 . 2]" 1
1390 1 76 VAL HB 1 77 MET ME . . 3.800 2.850 2.643 3.082 . 0 0 "[ . 1 . 2]" 1
1391 1 76 VAL HB 1 77 MET HG2 . . 5.120 3.532 3.008 4.003 . 0 0 "[ . 1 . 2]" 1
1392 1 76 VAL MG1 1 77 MET H . . 4.250 4.055 3.830 4.225 . 0 0 "[ . 1 . 2]" 1
1393 1 76 VAL MG1 1 77 MET ME . . 4.000 2.653 2.222 3.024 . 0 0 "[ . 1 . 2]" 1
1394 1 76 VAL MG1 1 77 MET HG2 . . 5.020 4.222 3.522 4.825 . 0 0 "[ . 1 . 2]" 1
1395 1 76 VAL MG1 1 80 MET H . . 5.010 4.406 4.237 4.691 . 0 0 "[ . 1 . 2]" 1
1396 1 76 VAL MG1 1 80 MET ME . . 4.160 2.597 2.111 3.569 . 0 0 "[ . 1 . 2]" 1
1397 1 76 VAL MG1 1 80 MET HG2 . . 4.060 2.980 2.598 3.622 . 0 0 "[ . 1 . 2]" 1
1398 1 76 VAL MG2 1 77 MET H . . 4.200 4.134 4.070 4.174 . 0 0 "[ . 1 . 2]" 1
1399 1 76 VAL MG2 1 77 MET ME . . 4.770 4.123 3.870 4.344 . 0 0 "[ . 1 . 2]" 1
1400 1 77 MET H 1 77 MET QB . . 3.110 2.371 2.314 2.402 . 0 0 "[ . 1 . 2]" 1
1401 1 77 MET H 1 77 MET ME . . 4.350 3.638 3.171 4.167 . 0 0 "[ . 1 . 2]" 1
1402 1 77 MET H 1 77 MET HG2 . . 3.370 2.471 2.307 2.601 . 0 0 "[ . 1 . 2]" 1
1403 1 77 MET H 1 77 MET HG3 . . 3.980 3.726 3.550 3.846 . 0 0 "[ . 1 . 2]" 1
1404 1 77 MET H 1 78 SER QB . . 5.110 4.380 4.069 4.725 . 0 0 "[ . 1 . 2]" 1
1405 1 77 MET H 1 79 LEU H . . 5.020 3.858 3.634 3.993 . 0 0 "[ . 1 . 2]" 1
1406 1 77 MET H 1 79 LEU HB2 . . 5.320 5.312 5.026 5.418 0.098 9 0 "[ . 1 . 2]" 1
1407 1 77 MET HA 1 77 MET ME . . 3.410 2.697 2.005 3.516 0.106 9 0 "[ . 1 . 2]" 1
1408 1 77 MET HA 1 77 MET HG2 . . 4.090 2.948 2.818 3.059 . 0 0 "[ . 1 . 2]" 1
1409 1 77 MET HA 1 77 MET HG3 . . 4.090 3.723 3.668 3.776 . 0 0 "[ . 1 . 2]" 1
1410 1 77 MET HA 1 79 LEU H . . 5.280 5.242 4.976 5.346 0.066 12 0 "[ . 1 . 2]" 1
1411 1 77 MET HA 1 80 MET ME . . 4.610 4.668 4.554 4.717 0.107 5 0 "[ . 1 . 2]" 1
1412 1 77 MET HA 1 80 MET HG2 . . 4.450 4.471 4.291 4.580 0.130 2 0 "[ . 1 . 2]" 1
1413 1 77 MET HA 1 80 MET HG3 . . 5.120 5.058 4.677 5.214 0.094 4 0 "[ . 1 . 2]" 1
1414 1 77 MET QB 1 78 SER H . . 3.480 3.348 2.998 3.519 0.039 20 0 "[ . 1 . 2]" 1
1415 1 77 MET ME 1 77 MET HG2 . . 3.620 2.266 2.235 2.285 . 0 0 "[ . 1 . 2]" 1
1416 1 77 MET ME 1 77 MET HG3 . . 3.210 3.048 2.700 3.296 0.086 3 0 "[ . 1 . 2]" 1
1417 1 77 MET HG2 1 78 SER H . . 4.960 4.670 4.574 4.755 . 0 0 "[ . 1 . 2]" 1
1418 1 78 SER H 1 78 SER QB . . 2.980 2.803 2.752 3.140 0.160 15 0 "[ . 1 . 2]" 1
1419 1 78 SER H 1 79 LEU H . . 3.350 1.881 1.779 1.944 . 0 0 "[ . 1 . 2]" 1
1420 1 78 SER H 1 79 LEU HB2 . . 4.690 4.149 3.992 4.243 . 0 0 "[ . 1 . 2]" 1
1421 1 78 SER H 1 79 LEU MD1 . . 5.310 5.002 4.857 5.103 . 0 0 "[ . 1 . 2]" 1
1422 1 78 SER H 1 79 LEU MD2 . . 5.170 4.732 4.613 4.818 . 0 0 "[ . 1 . 2]" 1
1423 1 78 SER H 1 79 LEU HG . . 4.880 3.876 3.704 3.977 . 0 0 "[ . 1 . 2]" 1
1424 1 78 SER H 1 80 MET H . . 4.450 3.040 2.808 3.183 . 0 0 "[ . 1 . 2]" 1
1425 1 78 SER QB 1 79 LEU H . . 3.780 2.806 2.649 3.735 . 0 0 "[ . 1 . 2]" 1
1426 1 78 SER QB 1 79 LEU MD1 . . 5.070 4.405 3.953 5.053 . 0 0 "[ . 1 . 2]" 1
1427 1 78 SER QB 1 79 LEU MD2 . . 5.120 3.398 2.948 3.573 . 0 0 "[ . 1 . 2]" 1
1428 1 79 LEU H 1 79 LEU HB2 . . 3.430 2.515 2.475 2.588 . 0 0 "[ . 1 . 2]" 1
1429 1 79 LEU H 1 79 LEU HB3 . . 3.830 3.639 3.607 3.735 . 0 0 "[ . 1 . 2]" 1
1430 1 79 LEU H 1 79 LEU MD1 . . 4.000 3.689 3.618 3.895 . 0 0 "[ . 1 . 2]" 1
1431 1 79 LEU H 1 79 LEU MD2 . . 3.420 3.322 3.224 3.515 0.095 10 0 "[ . 1 . 2]" 1
1432 1 79 LEU H 1 79 LEU HG . . 2.930 2.309 2.185 2.636 . 0 0 "[ . 1 . 2]" 1
1433 1 79 LEU H 1 80 MET H . . 3.190 2.343 2.075 2.528 . 0 0 "[ . 1 . 2]" 1
1434 1 79 LEU H 1 80 MET HG2 . . 5.010 4.386 4.084 4.583 . 0 0 "[ . 1 . 2]" 1
1435 1 79 LEU H 1 80 MET HG3 . . 4.560 3.683 3.408 3.966 . 0 0 "[ . 1 . 2]" 1
1436 1 79 LEU HA 1 79 LEU MD1 . . 3.960 3.837 3.817 3.852 . 0 0 "[ . 1 . 2]" 1
1437 1 79 LEU HA 1 79 LEU MD2 . . 2.890 2.068 2.028 2.088 . 0 0 "[ . 1 . 2]" 1
1438 1 79 LEU HA 1 79 LEU HG . . 4.190 3.199 3.159 3.228 . 0 0 "[ . 1 . 2]" 1
1439 1 79 LEU HB2 1 79 LEU MD1 . . 3.140 2.338 2.318 2.360 . 0 0 "[ . 1 . 2]" 1
1440 1 79 LEU HB2 1 79 LEU MD2 . . 3.340 3.229 3.217 3.235 . 0 0 "[ . 1 . 2]" 1
1441 1 79 LEU HB2 1 80 MET H . . 4.120 2.526 2.359 2.688 . 0 0 "[ . 1 . 2]" 1
1442 1 79 LEU HB3 1 79 LEU MD1 . . 3.370 2.352 2.339 2.374 . 0 0 "[ . 1 . 2]" 1
1443 1 79 LEU HB3 1 80 MET H . . 3.790 3.686 3.547 3.825 0.035 8 0 "[ . 1 . 2]" 1
1444 1 79 LEU MD1 1 80 MET H . . 4.770 4.428 4.289 4.553 . 0 0 "[ . 1 . 2]" 1
1445 1 79 LEU MD2 1 80 MET H . . 4.720 4.581 4.546 4.622 . 0 0 "[ . 1 . 2]" 1
1446 1 79 LEU MD2 1 80 MET HG3 . . 5.460 5.486 5.423 5.517 0.057 18 0 "[ . 1 . 2]" 1
1447 1 79 LEU HG 1 80 MET H . . 5.110 4.107 4.037 4.223 . 0 0 "[ . 1 . 2]" 1
1448 1 79 LEU HG 1 81 GLN H . . 5.500 5.209 5.067 5.397 . 0 0 "[ . 1 . 2]" 1
1449 1 80 MET H 1 80 MET QB . . 3.870 3.351 3.321 3.370 . 0 0 "[ . 1 . 2]" 1
1450 1 80 MET H 1 80 MET HG2 . . 3.690 2.912 2.814 3.036 . 0 0 "[ . 1 . 2]" 1
1451 1 80 MET H 1 80 MET HG3 . . 3.300 2.742 2.631 2.844 . 0 0 "[ . 1 . 2]" 1
1452 1 80 MET H 1 81 GLN H . . 3.480 2.901 2.792 3.053 . 0 0 "[ . 1 . 2]" 1
1453 1 80 MET HA 1 80 MET ME . . 4.100 3.636 3.422 3.782 . 0 0 "[ . 1 . 2]" 1
1454 1 80 MET HA 1 80 MET HG2 . . 4.150 2.454 2.367 2.562 . 0 0 "[ . 1 . 2]" 1
1455 1 80 MET HA 1 81 GLN H . . 3.300 3.141 2.953 3.331 0.031 12 0 "[ . 1 . 2]" 1
1456 1 80 MET QB 1 81 GLN H . . 4.450 3.680 3.446 3.841 . 0 0 "[ . 1 . 2]" 1
1457 1 80 MET QB 1 82 SER HA . . 5.500 4.797 4.337 5.303 . 0 0 "[ . 1 . 2]" 1
1458 1 80 MET ME 1 80 MET HG2 . . 3.260 2.345 2.298 2.379 . 0 0 "[ . 1 . 2]" 1
1459 1 80 MET ME 1 80 MET HG3 . . 3.380 3.369 3.349 3.386 0.006 18 0 "[ . 1 . 2]" 1
1460 1 80 MET HG3 1 81 GLN H . . 5.200 4.698 4.559 4.831 . 0 0 "[ . 1 . 2]" 1
1461 1 81 GLN H 1 81 GLN QB . . 3.560 3.025 2.772 3.312 . 0 0 "[ . 1 . 2]" 1
1462 1 81 GLN H 1 81 GLN QG . . 4.590 3.588 2.604 4.523 . 0 0 "[ . 1 . 2]" 1
1463 1 81 GLN H 1 82 SER HA . . 5.500 5.415 5.340 5.484 . 0 0 "[ . 1 . 2]" 1
1464 1 81 GLN HA 1 81 GLN QG . . 3.470 2.868 2.173 3.189 . 0 0 "[ . 1 . 2]" 1
1465 1 81 GLN HA 1 82 SER H . . 3.010 3.025 2.894 3.190 0.180 14 0 "[ . 1 . 2]" 1
1466 1 81 GLN HA 1 83 HIS H . . 4.700 3.622 2.989 4.522 . 0 0 "[ . 1 . 2]" 1
1467 1 81 GLN QG 1 82 SER H . . 4.720 4.633 4.393 4.724 0.004 19 0 "[ . 1 . 2]" 1
1468 1 82 SER H 1 82 SER QB . . 3.150 2.591 2.196 3.194 0.044 17 0 "[ . 1 . 2]" 1
1469 1 82 SER H 1 83 HIS H . . 3.740 2.233 1.655 2.852 . 0 0 "[ . 1 . 2]" 1
1470 1 82 SER HA 1 83 HIS H . . 3.440 3.341 2.996 3.495 0.055 11 0 "[ . 1 . 2]" 1
1471 1 82 SER QB 1 83 HIS H . . 4.160 3.576 2.938 3.982 . 0 0 "[ . 1 . 2]" 1
1472 1 83 HIS H 1 83 HIS QB . . 3.370 2.512 2.164 3.322 . 0 0 "[ . 1 . 2]" 1
1473 1 83 HIS H 1 84 GLN H . . 5.500 3.889 1.935 4.675 . 0 0 "[ . 1 . 2]" 1
1474 1 83 HIS HA 1 83 HIS HD2 . . 4.510 3.956 2.186 4.710 0.200 18 0 "[ . 1 . 2]" 1
1475 1 83 HIS HA 1 84 GLN H . . 3.170 2.614 2.185 3.316 0.146 19 0 "[ . 1 . 2]" 1
1476 1 83 HIS QB 1 84 GLN H . . 4.450 3.126 2.327 3.796 . 0 0 "[ . 1 . 2]" 1
1477 1 84 GLN H 1 84 GLN QB . . 3.370 2.645 2.159 3.342 . 0 0 "[ . 1 . 2]" 1
1478 1 84 GLN H 1 84 GLN QG . . 4.180 2.691 1.942 4.188 0.008 10 0 "[ . 1 . 2]" 1
1479 1 84 GLN H 1 85 ASP H . . 3.090 2.439 1.702 2.846 . 0 0 "[ . 1 . 2]" 1
1480 1 84 GLN H 1 85 ASP HA . . 5.440 4.899 4.248 5.379 . 0 0 "[ . 1 . 2]" 1
1481 1 84 GLN HA 1 84 GLN QG . . 3.900 2.895 2.366 3.510 . 0 0 "[ . 1 . 2]" 1
1482 1 84 GLN HA 1 85 ASP H . . 3.650 3.340 2.905 3.567 . 0 0 "[ . 1 . 2]" 1
1483 1 84 GLN QB 1 85 ASP H . . 4.490 3.523 2.888 4.048 . 0 0 "[ . 1 . 2]" 1
1484 1 84 GLN QG 1 85 ASP H . . 4.790 3.870 2.784 4.761 . 0 0 "[ . 1 . 2]" 1
1485 1 85 ASP H 1 85 ASP QB . . 3.500 2.771 2.157 3.313 . 0 0 "[ . 1 . 2]" 1
1486 1 85 ASP H 1 86 LYS H . . 3.710 2.779 1.845 3.824 0.114 4 0 "[ . 1 . 2]" 1
1487 1 85 ASP HA 1 86 LYS H . . 3.150 3.062 2.377 3.326 0.176 7 0 "[ . 1 . 2]" 1
1488 1 85 ASP QB 1 86 LYS H . . 4.460 3.853 3.400 4.091 . 0 0 "[ . 1 . 2]" 1
1489 1 86 LYS H 1 86 LYS QB . . 3.670 2.480 2.195 2.777 . 0 0 "[ . 1 . 2]" 1
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