Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
502384 | 2kx2 RC | 16897 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kx2
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 1563
_Distance_constraint_stats_list.Viol_count 1692
_Distance_constraint_stats_list.Viol_total 1432.964
_Distance_constraint_stats_list.Viol_max 0.691
_Distance_constraint_stats_list.Viol_rms 0.0214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0423
_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 VAL 0.020 0.020 4 0 "[ . 1 . 2]"
1 3 PHE 0.020 0.020 4 0 "[ . 1 . 2]"
1 4 TYR 0.944 0.133 15 0 "[ . 1 . 2]"
1 5 LEU 2.824 0.140 3 0 "[ . 1 . 2]"
1 6 LYS 2.231 0.140 3 0 "[ . 1 . 2]"
1 7 VAL 0.792 0.117 9 0 "[ . 1 . 2]"
1 8 LYS 0.940 0.134 9 0 "[ . 1 . 2]"
1 9 VAL 0.141 0.046 16 0 "[ . 1 . 2]"
1 10 GLU 0.920 0.046 16 0 "[ . 1 . 2]"
1 11 ASP 0.506 0.068 14 0 "[ . 1 . 2]"
1 12 PHE 1.503 0.069 16 0 "[ . 1 . 2]"
1 13 GLY 0.521 0.073 14 0 "[ . 1 . 2]"
1 14 PHE 0.433 0.042 16 0 "[ . 1 . 2]"
1 15 ARG 0.112 0.012 16 0 "[ . 1 . 2]"
1 16 GLU 0.088 0.057 18 0 "[ . 1 . 2]"
1 17 ASP 0.138 0.057 18 0 "[ . 1 . 2]"
1 18 MET 0.163 0.022 18 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.186 0.022 18 0 "[ . 1 . 2]"
1 21 ASN 1.490 0.073 14 0 "[ . 1 . 2]"
1 22 TYR 1.522 0.098 8 0 "[ . 1 . 2]"
1 23 VAL 1.517 0.098 8 0 "[ . 1 . 2]"
1 24 ARG 1.551 0.087 19 0 "[ . 1 . 2]"
1 25 TYR 2.457 0.077 9 0 "[ . 1 . 2]"
1 26 ARG 0.416 0.039 5 0 "[ . 1 . 2]"
1 27 VAL 1.240 0.208 16 0 "[ . 1 . 2]"
1 28 SER 0.565 0.076 16 0 "[ . 1 . 2]"
1 29 GLY 0.136 0.050 3 0 "[ . 1 . 2]"
1 30 LEU 1.807 0.183 14 0 "[ . 1 . 2]"
1 31 ASP 0.854 0.226 10 0 "[ . 1 . 2]"
1 32 GLU 0.533 0.249 10 0 "[ . 1 . 2]"
1 33 GLU 0.641 0.249 10 0 "[ . 1 . 2]"
1 34 LEU 3.439 0.154 20 0 "[ . 1 . 2]"
1 35 THR 1.367 0.057 9 0 "[ . 1 . 2]"
1 36 GLU 1.474 0.059 17 0 "[ . 1 . 2]"
1 37 LYS 4.345 0.154 20 0 "[ . 1 . 2]"
1 38 LEU 14.908 0.691 19 20 [*******-**********+*]
1 39 ILE 1.973 0.059 17 0 "[ . 1 . 2]"
1 40 GLU 1.213 0.083 3 0 "[ . 1 . 2]"
1 41 ARG 0.091 0.035 16 0 "[ . 1 . 2]"
1 42 LEU 1.813 0.096 9 0 "[ . 1 . 2]"
1 43 ASP 1.458 0.083 3 0 "[ . 1 . 2]"
1 44 GLU 1.976 0.157 9 0 "[ . 1 . 2]"
1 45 ASP 0.874 0.081 10 0 "[ . 1 . 2]"
1 46 THR 0.756 0.081 10 0 "[ . 1 . 2]"
1 47 GLU 0.374 0.142 16 0 "[ . 1 . 2]"
1 48 ARG 0.848 0.142 16 0 "[ . 1 . 2]"
1 49 ASP 1.292 0.145 8 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.160 0.033 9 0 "[ . 1 . 2]"
1 52 ASP 1.855 0.145 8 0 "[ . 1 . 2]"
1 53 LEU 0.865 0.109 11 0 "[ . 1 . 2]"
1 54 ILE 0.931 0.057 9 0 "[ . 1 . 2]"
1 55 ILE 1.593 0.087 19 0 "[ . 1 . 2]"
1 56 THR 1.584 0.061 9 0 "[ . 1 . 2]"
1 57 VAL 1.484 0.077 9 0 "[ . 1 . 2]"
1 58 PHE 0.321 0.040 3 0 "[ . 1 . 2]"
1 59 TYR 1.075 0.055 17 0 "[ . 1 . 2]"
1 60 GLU 8.784 0.244 20 0 "[ . 1 . 2]"
1 61 ARG 2.737 0.183 12 0 "[ . 1 . 2]"
1 62 GLU 0.029 0.010 4 0 "[ . 1 . 2]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.122 0.122 11 0 "[ . 1 . 2]"
1 65 PRO 6.030 0.244 20 0 "[ . 1 . 2]"
1 69 GLU 0.279 0.070 15 0 "[ . 1 . 2]"
1 70 GLU 0.620 0.339 1 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 2.068 0.124 16 0 "[ . 1 . 2]"
1 73 VAL 0.005 0.005 9 0 "[ . 1 . 2]"
1 74 LYS 0.140 0.054 5 0 "[ . 1 . 2]"
1 75 MET 0.040 0.014 19 0 "[ . 1 . 2]"
1 76 ALA 3.904 0.161 14 0 "[ . 1 . 2]"
1 77 ASP 0.089 0.041 12 0 "[ . 1 . 2]"
1 78 PHE 0.169 0.069 14 0 "[ . 1 . 2]"
1 79 ILE 3.133 0.161 14 0 "[ . 1 . 2]"
1 80 ALA 1.326 0.077 15 0 "[ . 1 . 2]"
1 81 ARG 0.163 0.033 13 0 "[ . 1 . 2]"
1 82 GLU 1.092 0.072 17 0 "[ . 1 . 2]"
1 83 GLU 2.810 0.122 13 0 "[ . 1 . 2]"
1 84 ILE 1.363 0.085 3 0 "[ . 1 . 2]"
1 85 GLU 1.772 0.122 13 0 "[ . 1 . 2]"
1 86 MET 0.451 0.103 9 0 "[ . 1 . 2]"
1 87 MET 0.874 0.117 9 0 "[ . 1 . 2]"
1 88 VAL 1.192 0.085 3 0 "[ . 1 . 2]"
1 89 PHE 0.397 0.121 1 0 "[ . 1 . 2]"
1 90 LEU 1.245 0.306 1 0 "[ . 1 . 2]"
1 91 SER 1.288 0.306 1 0 "[ . 1 . 2]"
1 92 SER 0.860 0.114 13 0 "[ . 1 . 2]"
1 93 VAL 0.545 0.058 19 0 "[ . 1 . 2]"
1 94 LEU 0.436 0.113 12 0 "[ . 1 . 2]"
1 95 GLU 2.856 0.237 13 0 "[ . 1 . 2]"
1 96 ASP 1.662 0.237 13 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 VAL H 1 2 VAL MG1 . . 4.090 2.836 1.925 3.955 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL H 1 2 VAL QG . . 3.260 2.201 1.877 2.862 . 0 0 "[ . 1 . 2]" 1
3 1 2 VAL H 1 2 VAL MG2 . . 4.090 2.850 1.929 4.022 . 0 0 "[ . 1 . 2]" 1
4 1 2 VAL H 1 3 PHE H . . 4.600 4.138 1.961 4.600 0.000 19 0 "[ . 1 . 2]" 1
5 1 2 VAL HA 1 3 PHE H . . 3.410 2.352 2.162 3.430 0.020 4 0 "[ . 1 . 2]" 1
6 1 2 VAL QG 1 3 PHE H . . 4.400 2.827 1.965 3.514 . 0 0 "[ . 1 . 2]" 1
7 1 3 PHE H 1 3 PHE HB2 . . 4.120 3.016 2.286 4.069 . 0 0 "[ . 1 . 2]" 1
8 1 3 PHE H 1 3 PHE HB3 . . 4.120 3.377 2.691 3.788 . 0 0 "[ . 1 . 2]" 1
9 1 3 PHE H 1 3 PHE QD . . 4.710 3.098 2.331 4.557 . 0 0 "[ . 1 . 2]" 1
10 1 3 PHE H 1 4 TYR H . . 4.800 4.280 2.994 4.633 . 0 0 "[ . 1 . 2]" 1
11 1 3 PHE HA 1 3 PHE QD . . 3.780 2.984 2.164 3.728 . 0 0 "[ . 1 . 2]" 1
12 1 3 PHE HA 1 4 TYR H . . 3.340 2.310 2.143 2.662 . 0 0 "[ . 1 . 2]" 1
13 1 4 TYR H 1 4 TYR HB2 . . 3.950 3.045 2.354 3.989 0.039 14 0 "[ . 1 . 2]" 1
14 1 4 TYR H 1 4 TYR QB . . 3.320 2.791 2.312 3.342 0.022 11 0 "[ . 1 . 2]" 1
15 1 4 TYR H 1 4 TYR HB3 . . 3.950 3.469 2.853 3.888 . 0 0 "[ . 1 . 2]" 1
16 1 4 TYR H 1 4 TYR HD1 . . 4.320 3.556 2.012 4.349 0.029 15 0 "[ . 1 . 2]" 1
17 1 4 TYR H 1 5 LEU H . . 4.410 3.853 2.454 4.405 . 0 0 "[ . 1 . 2]" 1
18 1 4 TYR H 1 5 LEU QD . . 4.740 4.171 2.795 4.769 0.029 14 0 "[ . 1 . 2]" 1
19 1 4 TYR HA 1 4 TYR HD1 . . 4.000 3.020 2.024 4.045 0.045 4 0 "[ . 1 . 2]" 1
20 1 4 TYR HA 1 5 LEU H . . 2.980 2.365 2.138 2.987 0.007 7 0 "[ . 1 . 2]" 1
21 1 4 TYR QB 1 5 LEU H . . 3.740 3.437 1.968 3.873 0.133 15 0 "[ . 1 . 2]" 1
22 1 4 TYR HD1 1 5 LEU H . . 4.760 4.327 3.225 4.814 0.054 15 0 "[ . 1 . 2]" 1
23 1 5 LEU H 1 5 LEU HB2 . . 3.680 2.738 2.226 3.667 . 0 0 "[ . 1 . 2]" 1
24 1 5 LEU H 1 5 LEU QB . . 2.920 2.461 2.203 2.977 0.057 14 0 "[ . 1 . 2]" 1
25 1 5 LEU H 1 5 LEU HB3 . . 3.680 3.295 2.320 3.642 . 0 0 "[ . 1 . 2]" 1
26 1 5 LEU H 1 5 LEU QD . . 3.700 2.621 1.864 3.704 0.004 3 0 "[ . 1 . 2]" 1
27 1 5 LEU H 1 6 LYS H . . 4.700 4.529 4.168 4.638 . 0 0 "[ . 1 . 2]" 1
28 1 5 LEU HA 1 5 LEU QD . . 4.190 2.506 1.953 3.332 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU HA 1 6 LYS H . . 2.860 2.248 2.152 2.522 . 0 0 "[ . 1 . 2]" 1
30 1 5 LEU HA 1 6 LYS HB2 . . 5.500 5.403 4.612 5.640 0.140 3 0 "[ . 1 . 2]" 1
31 1 5 LEU HA 1 6 LYS QB . . 4.650 4.321 4.054 4.616 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU HA 1 6 LYS HB3 . . 5.500 4.707 4.162 5.631 0.131 13 0 "[ . 1 . 2]" 1
33 1 5 LEU QB 1 6 LYS H . . 3.870 2.911 2.133 3.635 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU QD 1 6 LYS H . . 4.120 3.254 2.124 4.133 0.013 5 0 "[ . 1 . 2]" 1
35 1 5 LEU QD 1 28 SER H . . 4.960 3.763 2.794 4.966 0.006 13 0 "[ . 1 . 2]" 1
36 1 6 LYS H 1 6 LYS QB . . 3.440 2.889 2.655 3.117 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS H 1 6 LYS QD . . 4.600 3.833 1.850 4.508 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS H 1 6 LYS QE . . 5.070 3.974 2.139 5.021 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS H 1 6 LYS HG2 . . 4.140 2.553 2.079 3.601 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS H 1 6 LYS QG . . 3.510 2.398 2.067 3.384 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS H 1 6 LYS HG3 . . 4.140 3.468 2.198 4.112 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS H 1 7 VAL HA . . 4.940 4.860 4.804 4.898 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS H 1 28 SER H . . 4.290 4.093 3.711 4.306 0.016 3 0 "[ . 1 . 2]" 1
44 1 6 LYS HA 1 6 LYS QE . . 4.420 4.093 3.115 4.417 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS HA 1 7 VAL H . . 2.960 2.197 2.140 2.266 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS HA 1 7 VAL QG . . 3.860 3.326 3.228 3.618 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS QB 1 7 VAL H . . 3.670 3.063 2.779 3.514 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS HB2 1 7 VAL H . . 4.470 3.339 2.856 4.336 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS HB3 1 7 VAL H . . 4.470 3.946 3.175 4.243 . 0 0 "[ . 1 . 2]" 1
50 1 6 LYS QG 1 7 VAL H . . 4.680 4.043 3.294 4.729 0.049 14 0 "[ . 1 . 2]" 1
51 1 6 LYS QG 1 28 SER H . . 5.270 4.577 3.637 5.286 0.016 13 0 "[ . 1 . 2]" 1
52 1 7 VAL H 1 7 VAL HB . . 3.940 3.631 3.081 3.769 . 0 0 "[ . 1 . 2]" 1
53 1 7 VAL H 1 7 VAL MG1 . . 4.160 2.807 1.911 3.102 . 0 0 "[ . 1 . 2]" 1
54 1 7 VAL H 1 7 VAL QG . . 3.550 1.915 1.887 1.989 . 0 0 "[ . 1 . 2]" 1
55 1 7 VAL H 1 7 VAL MG2 . . 4.160 2.310 1.908 3.867 . 0 0 "[ . 1 . 2]" 1
56 1 7 VAL H 1 8 LYS H . . 4.530 4.326 4.246 4.464 . 0 0 "[ . 1 . 2]" 1
57 1 7 VAL H 1 87 MET HB3 . . 5.500 5.494 5.329 5.571 0.071 14 0 "[ . 1 . 2]" 1
58 1 7 VAL H 1 87 MET HG2 . . 4.540 3.678 3.074 4.153 . 0 0 "[ . 1 . 2]" 1
59 1 7 VAL HA 1 8 LYS H . . 2.930 2.145 2.140 2.166 . 0 0 "[ . 1 . 2]" 1
60 1 7 VAL HA 1 26 ARG H . . 4.320 4.047 3.735 4.324 0.004 16 0 "[ . 1 . 2]" 1
61 1 7 VAL HA 1 27 VAL HA . . 3.930 3.479 3.170 3.815 . 0 0 "[ . 1 . 2]" 1
62 1 7 VAL HB 1 8 LYS H . . 4.330 3.506 3.146 4.216 . 0 0 "[ . 1 . 2]" 1
63 1 7 VAL HB 1 86 MET QG . . 3.530 2.670 1.973 3.633 0.103 9 0 "[ . 1 . 2]" 1
64 1 7 VAL HB 1 90 LEU QD . . 4.330 3.890 3.060 4.363 0.033 3 0 "[ . 1 . 2]" 1
65 1 7 VAL QG 1 8 LYS HA . . 4.470 3.803 3.317 4.011 . 0 0 "[ . 1 . 2]" 1
66 1 7 VAL QG 1 8 LYS HB3 . . 5.200 4.721 4.377 4.852 . 0 0 "[ . 1 . 2]" 1
67 1 7 VAL QG 1 26 ARG H . . 5.020 4.254 2.923 4.779 . 0 0 "[ . 1 . 2]" 1
68 1 7 VAL QG 1 27 VAL HB . . 4.610 3.791 1.923 4.615 0.005 7 0 "[ . 1 . 2]" 1
69 1 7 VAL QG 1 83 GLU HA . . 4.600 3.630 2.441 3.941 . 0 0 "[ . 1 . 2]" 1
70 1 7 VAL QG 1 83 GLU QG . . 4.900 4.204 3.211 4.589 . 0 0 "[ . 1 . 2]" 1
71 1 7 VAL QG 1 86 MET H . . 4.240 3.934 3.464 4.114 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL QG 1 86 MET HB2 . . 3.680 3.137 2.560 3.394 . 0 0 "[ . 1 . 2]" 1
73 1 7 VAL QG 1 86 MET HB3 . . 3.520 1.916 1.722 2.090 . 0 0 "[ . 1 . 2]" 1
74 1 7 VAL QG 1 86 MET ME . . 4.280 3.520 3.240 4.073 . 0 0 "[ . 1 . 2]" 1
75 1 7 VAL QG 1 87 MET H . . 3.990 2.826 2.506 2.971 . 0 0 "[ . 1 . 2]" 1
76 1 7 VAL QG 1 87 MET HA . . 3.810 2.654 2.483 2.889 . 0 0 "[ . 1 . 2]" 1
77 1 7 VAL QG 1 87 MET HB3 . . 3.990 3.889 3.651 4.013 0.023 18 0 "[ . 1 . 2]" 1
78 1 7 VAL QG 1 87 MET HG2 . . 3.860 1.922 1.863 2.006 . 0 0 "[ . 1 . 2]" 1
79 1 7 VAL QG 1 90 LEU QB . . 4.490 3.904 3.553 4.362 . 0 0 "[ . 1 . 2]" 1
80 1 7 VAL MG1 1 8 LYS H . . 4.210 3.949 3.781 4.171 . 0 0 "[ . 1 . 2]" 1
81 1 7 VAL MG1 1 87 MET HA . . 4.580 3.949 2.493 4.533 . 0 0 "[ . 1 . 2]" 1
82 1 7 VAL MG1 1 87 MET HG2 . . 4.640 3.861 1.877 4.538 . 0 0 "[ . 1 . 2]" 1
83 1 7 VAL MG2 1 8 LYS H . . 4.210 3.767 2.434 4.164 . 0 0 "[ . 1 . 2]" 1
84 1 7 VAL MG2 1 87 MET HA . . 4.580 3.104 2.569 4.697 0.117 9 0 "[ . 1 . 2]" 1
85 1 7 VAL MG2 1 87 MET HG2 . . 4.640 2.286 1.881 3.911 . 0 0 "[ . 1 . 2]" 1
86 1 8 LYS H 1 8 LYS HB3 . . 3.620 3.226 3.043 3.319 . 0 0 "[ . 1 . 2]" 1
87 1 8 LYS H 1 8 LYS HD2 . . 4.070 3.126 2.339 4.204 0.134 9 0 "[ . 1 . 2]" 1
88 1 8 LYS H 1 8 LYS QD . . 3.570 2.686 2.154 3.578 0.008 4 0 "[ . 1 . 2]" 1
89 1 8 LYS H 1 8 LYS HD3 . . 4.070 3.223 2.178 4.005 . 0 0 "[ . 1 . 2]" 1
90 1 8 LYS H 1 8 LYS HG2 . . 4.110 2.794 2.305 3.626 . 0 0 "[ . 1 . 2]" 1
91 1 8 LYS H 1 8 LYS HG3 . . 4.110 3.614 2.076 4.042 . 0 0 "[ . 1 . 2]" 1
92 1 8 LYS H 1 9 VAL H . . 4.660 4.426 4.375 4.456 . 0 0 "[ . 1 . 2]" 1
93 1 8 LYS H 1 25 TYR HB3 . . 4.620 3.768 3.321 4.276 . 0 0 "[ . 1 . 2]" 1
94 1 8 LYS H 1 25 TYR QD . . 5.050 4.147 3.394 4.916 . 0 0 "[ . 1 . 2]" 1
95 1 8 LYS H 1 26 ARG H . . 3.760 2.704 2.451 2.980 . 0 0 "[ . 1 . 2]" 1
96 1 8 LYS H 1 26 ARG QB . . 4.120 3.407 2.981 3.819 . 0 0 "[ . 1 . 2]" 1
97 1 8 LYS H 1 27 VAL H . . 5.500 5.509 5.449 5.535 0.035 17 0 "[ . 1 . 2]" 1
98 1 8 LYS H 1 83 GLU QG . . 5.190 4.848 4.432 5.078 . 0 0 "[ . 1 . 2]" 1
99 1 8 LYS HA 1 9 VAL H . . 2.970 2.309 2.224 2.321 . 0 0 "[ . 1 . 2]" 1
100 1 8 LYS HA 1 9 VAL HB . . 4.980 4.829 4.765 4.942 . 0 0 "[ . 1 . 2]" 1
101 1 8 LYS HA 1 25 TYR QD . . 4.610 3.808 3.324 4.502 . 0 0 "[ . 1 . 2]" 1
102 1 8 LYS HA 1 83 GLU H . . 5.500 5.505 5.294 5.573 0.073 10 0 "[ . 1 . 2]" 1
103 1 8 LYS HA 1 83 GLU HB2 . . 5.270 5.095 4.869 5.276 0.006 13 0 "[ . 1 . 2]" 1
104 1 8 LYS HA 1 83 GLU QG . . 4.210 2.132 1.977 2.329 . 0 0 "[ . 1 . 2]" 1
105 1 8 LYS HB2 1 9 VAL H . . 3.810 2.679 2.637 2.934 . 0 0 "[ . 1 . 2]" 1
106 1 8 LYS HB3 1 9 VAL H . . 4.020 3.907 3.815 3.996 . 0 0 "[ . 1 . 2]" 1
107 1 8 LYS QG 1 9 VAL H . . 4.440 3.825 3.543 4.404 . 0 0 "[ . 1 . 2]" 1
108 1 8 LYS QG 1 25 TYR HA . . 4.920 4.737 4.377 4.923 0.003 4 0 "[ . 1 . 2]" 1
109 1 8 LYS QG 1 26 ARG H . . 4.070 3.249 2.854 3.470 . 0 0 "[ . 1 . 2]" 1
110 1 8 LYS QG 1 26 ARG QB . . 3.560 2.552 2.209 2.842 . 0 0 "[ . 1 . 2]" 1
111 1 9 VAL H 1 9 VAL HB . . 3.080 2.527 2.482 2.623 . 0 0 "[ . 1 . 2]" 1
112 1 9 VAL H 1 9 VAL MG1 . . 3.810 3.768 3.762 3.779 . 0 0 "[ . 1 . 2]" 1
113 1 9 VAL H 1 9 VAL QG . . 3.140 2.153 1.933 2.293 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL H 1 9 VAL MG2 . . 3.810 2.167 1.939 2.312 . 0 0 "[ . 1 . 2]" 1
115 1 9 VAL H 1 10 GLU H . . 4.970 4.552 4.451 4.596 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL H 1 26 ARG H . . 5.100 5.000 4.799 5.113 0.013 19 0 "[ . 1 . 2]" 1
117 1 9 VAL H 1 79 ILE MD . . 5.100 4.552 4.009 4.931 . 0 0 "[ . 1 . 2]" 1
118 1 9 VAL H 1 83 GLU HB3 . . 5.440 5.131 4.699 5.457 0.017 3 0 "[ . 1 . 2]" 1
119 1 9 VAL H 1 83 GLU QG . . 4.030 2.443 2.112 2.720 . 0 0 "[ . 1 . 2]" 1
120 1 9 VAL HA 1 10 GLU H . . 3.120 2.165 2.141 2.194 . 0 0 "[ . 1 . 2]" 1
121 1 9 VAL HA 1 10 GLU QG . . 4.370 3.938 3.503 4.156 . 0 0 "[ . 1 . 2]" 1
122 1 9 VAL HA 1 11 ASP H . . 3.940 3.786 3.586 3.986 0.046 16 0 "[ . 1 . 2]" 1
123 1 9 VAL HA 1 25 TYR HA . . 4.010 2.597 2.315 2.886 . 0 0 "[ . 1 . 2]" 1
124 1 9 VAL HA 1 26 ARG H . . 4.150 3.908 3.623 4.156 0.006 11 0 "[ . 1 . 2]" 1
125 1 9 VAL HB 1 10 GLU HA . . 5.050 4.845 4.707 5.015 . 0 0 "[ . 1 . 2]" 1
126 1 9 VAL HB 1 79 ILE HB . . 4.190 3.812 3.455 4.192 0.002 2 0 "[ . 1 . 2]" 1
127 1 9 VAL HB 1 79 ILE MD . . 5.170 4.582 4.070 5.039 . 0 0 "[ . 1 . 2]" 1
128 1 9 VAL HB 1 83 GLU QG . . 4.070 3.634 3.196 4.073 0.003 3 0 "[ . 1 . 2]" 1
129 1 9 VAL QG 1 10 GLU H . . 3.390 2.427 2.205 2.728 . 0 0 "[ . 1 . 2]" 1
130 1 9 VAL QG 1 10 GLU QG . . 4.320 3.737 3.511 3.914 . 0 0 "[ . 1 . 2]" 1
131 1 9 VAL QG 1 11 ASP H . . 3.290 2.492 2.179 2.680 . 0 0 "[ . 1 . 2]" 1
132 1 9 VAL QG 1 12 PHE H . . 4.420 3.250 2.831 3.535 . 0 0 "[ . 1 . 2]" 1
133 1 9 VAL QG 1 12 PHE HB3 . . 4.180 2.240 1.945 2.547 . 0 0 "[ . 1 . 2]" 1
134 1 9 VAL QG 1 12 PHE QD . . 3.560 2.323 1.952 2.828 . 0 0 "[ . 1 . 2]" 1
135 1 9 VAL QG 1 23 VAL HB . . 4.720 3.471 3.277 3.803 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL QG 1 23 VAL QG . . 3.060 1.684 1.598 1.863 . 0 0 "[ . 1 . 2]" 1
137 1 9 VAL QG 1 25 TYR QD . . 4.030 2.802 2.313 3.051 . 0 0 "[ . 1 . 2]" 1
138 1 9 VAL QG 1 26 ARG H . . 5.440 4.788 4.555 4.974 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL QG 1 79 ILE H . . 4.970 4.441 4.232 4.843 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL QG 1 79 ILE HA . . 3.830 2.258 1.962 2.671 . 0 0 "[ . 1 . 2]" 1
141 1 9 VAL QG 1 79 ILE MD . . 4.280 3.946 3.625 4.269 . 0 0 "[ . 1 . 2]" 1
142 1 9 VAL QG 1 79 ILE QG . . 3.570 2.742 2.372 3.110 . 0 0 "[ . 1 . 2]" 1
143 1 9 VAL QG 1 80 ALA H . . 5.280 4.968 4.729 5.293 0.013 15 0 "[ . 1 . 2]" 1
144 1 9 VAL QG 1 82 GLU H . . 4.210 3.804 3.605 3.997 . 0 0 "[ . 1 . 2]" 1
145 1 9 VAL QG 1 82 GLU HB3 . . 3.950 2.100 1.871 2.613 . 0 0 "[ . 1 . 2]" 1
146 1 9 VAL QG 1 83 GLU HA . . 4.340 3.227 2.831 3.695 . 0 0 "[ . 1 . 2]" 1
147 1 9 VAL QG 1 83 GLU QG . . 3.960 2.368 1.865 2.918 . 0 0 "[ . 1 . 2]" 1
148 1 9 VAL MG1 1 10 GLU H . . 4.150 2.449 2.215 2.772 . 0 0 "[ . 1 . 2]" 1
149 1 9 VAL MG2 1 10 GLU H . . 4.150 4.009 3.904 4.114 . 0 0 "[ . 1 . 2]" 1
150 1 10 GLU H 1 10 GLU HB2 . . 4.170 3.722 3.635 3.782 . 0 0 "[ . 1 . 2]" 1
151 1 10 GLU H 1 10 GLU QB . . 3.300 2.796 2.660 3.015 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLU H 1 10 GLU HB3 . . 4.170 2.895 2.730 3.208 . 0 0 "[ . 1 . 2]" 1
153 1 10 GLU H 1 10 GLU QG . . 3.670 2.194 1.944 2.306 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLU H 1 11 ASP H . . 3.060 2.024 1.892 2.300 . 0 0 "[ . 1 . 2]" 1
155 1 10 GLU H 1 11 ASP QB . . 5.110 4.427 4.276 4.658 . 0 0 "[ . 1 . 2]" 1
156 1 10 GLU H 1 12 PHE H . . 5.500 5.470 5.201 5.518 0.018 9 0 "[ . 1 . 2]" 1
157 1 10 GLU H 1 23 VAL QG . . 4.610 3.583 3.393 3.923 . 0 0 "[ . 1 . 2]" 1
158 1 10 GLU H 1 24 ARG H . . 4.510 4.067 3.903 4.273 . 0 0 "[ . 1 . 2]" 1
159 1 10 GLU H 1 24 ARG HB2 . . 4.580 3.948 3.853 4.127 . 0 0 "[ . 1 . 2]" 1
160 1 10 GLU H 1 25 TYR HA . . 3.680 3.072 2.984 3.174 . 0 0 "[ . 1 . 2]" 1
161 1 10 GLU H 1 25 TYR HB3 . . 5.500 5.512 5.433 5.546 0.046 16 0 "[ . 1 . 2]" 1
162 1 10 GLU H 1 25 TYR QD . . 5.110 4.583 4.057 4.926 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLU H 1 26 ARG H . . 4.560 4.143 3.871 4.324 . 0 0 "[ . 1 . 2]" 1
164 1 10 GLU HA 1 26 ARG H . . 5.500 5.493 5.277 5.539 0.039 5 0 "[ . 1 . 2]" 1
165 1 10 GLU QB 1 11 ASP H . . 3.710 3.503 3.316 3.631 . 0 0 "[ . 1 . 2]" 1
166 1 10 GLU QB 1 54 ILE MD . . 5.070 3.908 3.566 4.219 . 0 0 "[ . 1 . 2]" 1
167 1 10 GLU HB2 1 11 ASP H . . 4.250 3.920 3.528 4.105 . 0 0 "[ . 1 . 2]" 1
168 1 10 GLU HB3 1 11 ASP H . . 4.250 3.966 3.863 4.122 . 0 0 "[ . 1 . 2]" 1
169 1 10 GLU QG 1 11 ASP H . . 3.470 2.186 1.934 2.370 . 0 0 "[ . 1 . 2]" 1
170 1 10 GLU QG 1 11 ASP QB . . 4.140 2.629 2.344 3.300 . 0 0 "[ . 1 . 2]" 1
171 1 10 GLU QG 1 12 PHE H . . 5.500 5.417 5.190 5.528 0.028 9 0 "[ . 1 . 2]" 1
172 1 10 GLU QG 1 23 VAL QG . . 4.620 4.250 4.109 4.486 . 0 0 "[ . 1 . 2]" 1
173 1 10 GLU QG 1 24 ARG H . . 4.400 3.818 3.655 4.006 . 0 0 "[ . 1 . 2]" 1
174 1 10 GLU QG 1 24 ARG HB2 . . 3.950 2.471 2.288 2.715 . 0 0 "[ . 1 . 2]" 1
175 1 10 GLU QG 1 25 TYR H . . 4.490 3.965 3.681 4.269 . 0 0 "[ . 1 . 2]" 1
176 1 10 GLU QG 1 25 TYR HA . . 4.230 3.423 2.775 3.820 . 0 0 "[ . 1 . 2]" 1
177 1 10 GLU QG 1 26 ARG H . . 4.860 4.049 3.311 4.689 . 0 0 "[ . 1 . 2]" 1
178 1 10 GLU QG 1 54 ILE MD . . 4.240 3.423 2.614 3.789 . 0 0 "[ . 1 . 2]" 1
179 1 10 GLU QG 1 54 ILE MG . . 3.860 3.352 2.867 3.709 . 0 0 "[ . 1 . 2]" 1
180 1 11 ASP H 1 11 ASP HB2 . . 3.680 3.247 2.808 3.525 . 0 0 "[ . 1 . 2]" 1
181 1 11 ASP H 1 11 ASP HB3 . . 3.680 3.261 3.053 3.661 . 0 0 "[ . 1 . 2]" 1
182 1 11 ASP H 1 12 PHE H . . 3.970 3.812 3.641 3.947 . 0 0 "[ . 1 . 2]" 1
183 1 11 ASP H 1 12 PHE HB3 . . 5.020 4.567 4.260 4.842 . 0 0 "[ . 1 . 2]" 1
184 1 11 ASP H 1 23 VAL QG . . 4.050 3.416 3.138 3.802 . 0 0 "[ . 1 . 2]" 1
185 1 11 ASP H 1 24 ARG H . . 3.710 3.095 2.961 3.272 . 0 0 "[ . 1 . 2]" 1
186 1 11 ASP H 1 24 ARG HA . . 5.270 4.890 4.781 4.982 . 0 0 "[ . 1 . 2]" 1
187 1 11 ASP H 1 24 ARG HB2 . . 3.100 2.812 2.607 3.017 . 0 0 "[ . 1 . 2]" 1
188 1 11 ASP H 1 24 ARG HB3 . . 4.170 3.748 3.365 4.015 . 0 0 "[ . 1 . 2]" 1
189 1 11 ASP H 1 25 TYR H . . 5.500 5.508 5.397 5.568 0.068 14 0 "[ . 1 . 2]" 1
190 1 11 ASP H 1 25 TYR HA . . 4.900 4.725 4.589 4.935 0.035 6 0 "[ . 1 . 2]" 1
191 1 11 ASP HA 1 12 PHE H . . 2.750 2.148 2.139 2.174 . 0 0 "[ . 1 . 2]" 1
192 1 11 ASP HA 1 23 VAL QG . . 5.100 4.742 4.582 5.006 . 0 0 "[ . 1 . 2]" 1
193 1 11 ASP QB 1 12 PHE H . . 4.280 3.835 3.626 3.925 . 0 0 "[ . 1 . 2]" 1
194 1 11 ASP QB 1 24 ARG H . . 4.460 3.856 3.570 4.458 . 0 0 "[ . 1 . 2]" 1
195 1 11 ASP QB 1 24 ARG HB3 . . 4.660 3.754 3.367 4.228 . 0 0 "[ . 1 . 2]" 1
196 1 11 ASP QB 1 54 ILE MG . . 5.160 4.590 4.300 5.075 . 0 0 "[ . 1 . 2]" 1
197 1 12 PHE H 1 12 PHE HB2 . . 3.830 3.728 3.668 3.814 . 0 0 "[ . 1 . 2]" 1
198 1 12 PHE H 1 12 PHE HB3 . . 3.830 2.908 2.774 3.130 . 0 0 "[ . 1 . 2]" 1
199 1 12 PHE H 1 12 PHE QD . . 3.800 2.402 2.014 3.009 . 0 0 "[ . 1 . 2]" 1
200 1 12 PHE H 1 13 GLY QA . . 5.120 4.731 4.622 4.759 . 0 0 "[ . 1 . 2]" 1
201 1 12 PHE H 1 23 VAL HB . . 5.500 5.519 5.430 5.557 0.057 17 0 "[ . 1 . 2]" 1
202 1 12 PHE H 1 23 VAL QG . . 4.640 3.996 3.845 4.169 . 0 0 "[ . 1 . 2]" 1
203 1 12 PHE H 1 24 ARG H . . 4.880 4.491 4.177 4.630 . 0 0 "[ . 1 . 2]" 1
204 1 12 PHE H 1 24 ARG HB2 . . 5.500 5.242 4.903 5.438 . 0 0 "[ . 1 . 2]" 1
205 1 12 PHE H 1 24 ARG HD3 . . 5.500 5.524 5.403 5.569 0.069 16 0 "[ . 1 . 2]" 1
206 1 12 PHE HA 1 13 GLY H . . 3.200 2.368 2.268 2.479 . 0 0 "[ . 1 . 2]" 1
207 1 12 PHE HA 1 22 TYR H . . 5.500 5.376 5.232 5.551 0.051 16 0 "[ . 1 . 2]" 1
208 1 12 PHE HA 1 22 TYR HD1 . . 4.190 4.036 3.514 4.214 0.024 14 0 "[ . 1 . 2]" 1
209 1 12 PHE HA 1 23 VAL QG . . 4.410 2.845 2.601 3.311 . 0 0 "[ . 1 . 2]" 1
210 1 12 PHE HA 1 24 ARG H . . 3.930 2.923 2.611 3.103 . 0 0 "[ . 1 . 2]" 1
211 1 12 PHE HB2 1 13 GLY H . . 3.250 2.576 2.371 2.803 . 0 0 "[ . 1 . 2]" 1
212 1 12 PHE HB2 1 22 TYR H . . 5.500 5.249 4.766 5.505 0.005 19 0 "[ . 1 . 2]" 1
213 1 12 PHE HB2 1 23 VAL HA . . 3.990 3.320 2.231 3.880 . 0 0 "[ . 1 . 2]" 1
214 1 12 PHE HB2 1 23 VAL QG . . 4.230 3.143 2.717 3.547 . 0 0 "[ . 1 . 2]" 1
215 1 12 PHE HB3 1 23 VAL HA . . 3.950 3.396 2.581 3.804 . 0 0 "[ . 1 . 2]" 1
216 1 12 PHE HB3 1 23 VAL MG1 . . 4.780 4.392 4.079 4.627 . 0 0 "[ . 1 . 2]" 1
217 1 12 PHE HB3 1 23 VAL QG . . 3.740 2.293 1.942 2.571 . 0 0 "[ . 1 . 2]" 1
218 1 12 PHE HB3 1 23 VAL MG2 . . 4.780 2.301 1.946 2.584 . 0 0 "[ . 1 . 2]" 1
219 1 12 PHE HB3 1 24 ARG H . . 4.510 4.027 3.162 4.474 . 0 0 "[ . 1 . 2]" 1
220 1 12 PHE QD 1 13 GLY H . . 3.860 3.292 2.821 3.816 . 0 0 "[ . 1 . 2]" 1
221 1 12 PHE QD 1 23 VAL QG . . 4.340 3.707 3.417 4.049 . 0 0 "[ . 1 . 2]" 1
222 1 13 GLY H 1 14 PHE H . . 5.400 4.353 4.238 4.395 . 0 0 "[ . 1 . 2]" 1
223 1 13 GLY H 1 14 PHE HA . . 4.700 4.649 4.572 4.695 . 0 0 "[ . 1 . 2]" 1
224 1 13 GLY H 1 21 ASN HA . . 5.470 5.289 5.108 5.455 . 0 0 "[ . 1 . 2]" 1
225 1 13 GLY H 1 21 ASN QB . . 5.220 4.743 4.500 5.293 0.073 14 0 "[ . 1 . 2]" 1
226 1 13 GLY H 1 22 TYR H . . 3.650 3.455 3.255 3.564 . 0 0 "[ . 1 . 2]" 1
227 1 13 GLY H 1 22 TYR QB . . 5.260 4.777 4.496 4.963 . 0 0 "[ . 1 . 2]" 1
228 1 13 GLY H 1 22 TYR HD1 . . 4.160 4.078 3.553 4.167 0.007 17 0 "[ . 1 . 2]" 1
229 1 13 GLY H 1 23 VAL H . . 5.500 4.859 4.698 4.962 . 0 0 "[ . 1 . 2]" 1
230 1 13 GLY H 1 23 VAL HA . . 3.810 3.163 3.027 3.251 . 0 0 "[ . 1 . 2]" 1
231 1 13 GLY H 1 23 VAL MG1 . . 4.960 4.952 4.893 5.029 0.069 16 0 "[ . 1 . 2]" 1
232 1 13 GLY H 1 23 VAL QG . . 4.240 4.151 4.043 4.277 0.037 2 0 "[ . 1 . 2]" 1
233 1 13 GLY H 1 23 VAL MG2 . . 4.960 4.458 4.310 4.657 . 0 0 "[ . 1 . 2]" 1
234 1 13 GLY H 1 24 ARG H . . 5.010 4.955 4.795 5.057 0.047 14 0 "[ . 1 . 2]" 1
235 1 13 GLY H 1 24 ARG HD3 . . 5.290 5.237 5.003 5.299 0.009 14 0 "[ . 1 . 2]" 1
236 1 13 GLY QA 1 22 TYR H . . 4.850 4.260 4.092 4.451 . 0 0 "[ . 1 . 2]" 1
237 1 14 PHE H 1 22 TYR H . . 5.120 4.686 4.540 4.839 . 0 0 "[ . 1 . 2]" 1
238 1 14 PHE HA 1 14 PHE QD . . 4.370 2.735 2.239 3.065 . 0 0 "[ . 1 . 2]" 1
239 1 14 PHE HA 1 15 ARG H . . 3.310 2.199 2.166 2.206 . 0 0 "[ . 1 . 2]" 1
240 1 14 PHE HA 1 21 ASN HA . . 3.890 2.138 1.998 2.477 . 0 0 "[ . 1 . 2]" 1
241 1 14 PHE HA 1 22 TYR H . . 3.840 2.737 2.561 2.849 . 0 0 "[ . 1 . 2]" 1
242 1 14 PHE HA 1 22 TYR HD2 . . 5.030 3.243 2.796 3.650 . 0 0 "[ . 1 . 2]" 1
243 1 14 PHE QB 1 15 ARG H . . 3.820 3.386 2.936 3.697 . 0 0 "[ . 1 . 2]" 1
244 1 14 PHE QB 1 21 ASN H . . 5.340 5.356 5.345 5.375 0.035 6 0 "[ . 1 . 2]" 1
245 1 14 PHE HB2 1 15 ARG H . . 4.570 3.938 3.804 4.077 . 0 0 "[ . 1 . 2]" 1
246 1 14 PHE HB3 1 15 ARG H . . 4.570 3.770 3.043 4.233 . 0 0 "[ . 1 . 2]" 1
247 1 14 PHE QD 1 21 ASN H . . 4.890 4.004 3.410 4.932 0.042 16 0 "[ . 1 . 2]" 1
248 1 15 ARG H 1 15 ARG HB2 . . 3.550 2.491 2.282 2.658 . 0 0 "[ . 1 . 2]" 1
249 1 15 ARG H 1 15 ARG HB3 . . 3.790 3.053 2.890 3.401 . 0 0 "[ . 1 . 2]" 1
250 1 15 ARG H 1 15 ARG HG2 . . 5.320 4.671 3.992 4.849 . 0 0 "[ . 1 . 2]" 1
251 1 15 ARG H 1 15 ARG QG . . 4.510 4.059 3.631 4.203 . 0 0 "[ . 1 . 2]" 1
252 1 15 ARG H 1 15 ARG HG3 . . 5.320 4.504 3.786 4.781 . 0 0 "[ . 1 . 2]" 1
253 1 15 ARG H 1 20 LEU H . . 4.150 3.827 3.668 3.934 . 0 0 "[ . 1 . 2]" 1
254 1 15 ARG H 1 20 LEU HA . . 5.280 5.175 4.972 5.292 0.012 16 0 "[ . 1 . 2]" 1
255 1 15 ARG H 1 20 LEU HG . . 5.420 5.337 5.028 5.429 0.009 9 0 "[ . 1 . 2]" 1
256 1 15 ARG H 1 21 ASN HA . . 3.810 2.933 2.483 3.314 . 0 0 "[ . 1 . 2]" 1
257 1 15 ARG H 1 22 TYR H . . 4.380 4.079 3.813 4.283 . 0 0 "[ . 1 . 2]" 1
258 1 15 ARG H 1 22 TYR HD2 . . 3.820 3.262 2.730 3.694 . 0 0 "[ . 1 . 2]" 1
259 1 15 ARG HB2 1 17 ASP H . . 5.140 4.950 4.784 5.144 0.004 18 0 "[ . 1 . 2]" 1
260 1 15 ARG HB2 1 20 LEU H . . 4.730 4.577 3.533 4.737 0.007 6 0 "[ . 1 . 2]" 1
261 1 15 ARG HB2 1 20 LEU HG . . 5.500 5.306 4.458 5.504 0.004 5 0 "[ . 1 . 2]" 1
262 1 15 ARG HB2 1 22 TYR HD2 . . 4.720 2.781 2.234 3.196 . 0 0 "[ . 1 . 2]" 1
263 1 15 ARG HB3 1 17 ASP QB . . 4.690 4.082 3.767 4.697 0.007 18 0 "[ . 1 . 2]" 1
264 1 15 ARG HB3 1 18 MET H . . 3.760 2.724 2.307 3.212 . 0 0 "[ . 1 . 2]" 1
265 1 15 ARG HB3 1 18 MET ME . . 3.960 2.628 2.332 3.194 . 0 0 "[ . 1 . 2]" 1
266 1 15 ARG HB3 1 19 GLY H . . 4.140 3.531 3.135 3.752 . 0 0 "[ . 1 . 2]" 1
267 1 15 ARG HB3 1 20 LEU H . . 4.030 3.617 3.258 4.028 . 0 0 "[ . 1 . 2]" 1
268 1 15 ARG HB3 1 20 LEU MD1 . . 5.400 2.674 1.963 3.337 . 0 0 "[ . 1 . 2]" 1
269 1 15 ARG QD 1 18 MET ME . . 4.450 3.183 1.940 4.112 . 0 0 "[ . 1 . 2]" 1
270 1 15 ARG QG 1 18 MET H . . 3.940 3.415 2.959 3.949 0.009 12 0 "[ . 1 . 2]" 1
271 1 15 ARG QG 1 18 MET ME . . 4.530 2.854 1.977 3.546 . 0 0 "[ . 1 . 2]" 1
272 1 15 ARG HG2 1 18 MET ME . . 5.350 3.168 2.434 4.008 . 0 0 "[ . 1 . 2]" 1
273 1 15 ARG HG3 1 18 MET ME . . 5.350 3.804 1.998 4.466 . 0 0 "[ . 1 . 2]" 1
274 1 16 GLU HA 1 16 GLU QG . . 3.720 3.275 2.561 3.446 . 0 0 "[ . 1 . 2]" 1
275 1 16 GLU HA 1 18 MET H . . 3.890 3.810 3.632 3.899 0.009 16 0 "[ . 1 . 2]" 1
276 1 16 GLU QB 1 17 ASP H . . 3.920 3.528 2.743 3.626 . 0 0 "[ . 1 . 2]" 1
277 1 16 GLU QB 1 17 ASP HA . . 4.670 4.488 4.309 4.574 . 0 0 "[ . 1 . 2]" 1
278 1 16 GLU QG 1 17 ASP HB2 . . 5.050 3.941 3.277 5.107 0.057 18 0 "[ . 1 . 2]" 1
279 1 16 GLU QG 1 17 ASP QB . . 4.370 3.655 3.192 4.214 . 0 0 "[ . 1 . 2]" 1
280 1 16 GLU QG 1 17 ASP HB3 . . 5.050 4.542 3.289 5.071 0.021 2 0 "[ . 1 . 2]" 1
281 1 16 GLU QG 1 19 GLY H . . 5.380 5.096 4.375 5.379 . 0 0 "[ . 1 . 2]" 1
282 1 17 ASP H 1 17 ASP HB2 . . 4.160 2.576 2.175 3.593 . 0 0 "[ . 1 . 2]" 1
283 1 17 ASP H 1 17 ASP HB3 . . 4.160 2.996 2.247 3.598 . 0 0 "[ . 1 . 2]" 1
284 1 17 ASP H 1 18 MET H . . 3.950 2.577 2.409 2.664 . 0 0 "[ . 1 . 2]" 1
285 1 17 ASP H 1 18 MET HB2 . . 5.480 4.688 4.525 4.959 . 0 0 "[ . 1 . 2]" 1
286 1 17 ASP H 1 18 MET ME . . 5.500 5.483 5.390 5.510 0.010 9 0 "[ . 1 . 2]" 1
287 1 17 ASP H 1 19 GLY H . . 4.940 3.933 3.759 4.426 . 0 0 "[ . 1 . 2]" 1
288 1 17 ASP QB 1 18 MET QG . . 5.180 3.429 2.919 4.495 . 0 0 "[ . 1 . 2]" 1
289 1 17 ASP HB2 1 18 MET H . . 4.610 3.595 2.904 4.241 . 0 0 "[ . 1 . 2]" 1
290 1 17 ASP HB3 1 18 MET H . . 4.610 3.485 2.982 4.035 . 0 0 "[ . 1 . 2]" 1
291 1 18 MET H 1 18 MET HB2 . . 3.310 2.395 2.291 2.595 . 0 0 "[ . 1 . 2]" 1
292 1 18 MET H 1 18 MET HB3 . . 3.880 3.606 3.432 3.738 . 0 0 "[ . 1 . 2]" 1
293 1 18 MET H 1 18 MET ME . . 4.400 4.053 3.928 4.278 . 0 0 "[ . 1 . 2]" 1
294 1 18 MET H 1 18 MET QG . . 3.550 3.135 2.645 3.494 . 0 0 "[ . 1 . 2]" 1
295 1 18 MET H 1 19 GLY H . . 3.060 2.067 1.899 2.328 . 0 0 "[ . 1 . 2]" 1
296 1 18 MET H 1 19 GLY QA . . 4.240 3.997 3.853 4.054 . 0 0 "[ . 1 . 2]" 1
297 1 18 MET H 1 20 LEU H . . 3.960 3.749 3.528 3.982 0.022 18 0 "[ . 1 . 2]" 1
298 1 18 MET H 1 20 LEU MD1 . . 4.810 4.039 3.677 4.248 . 0 0 "[ . 1 . 2]" 1
299 1 18 MET HA 1 18 MET ME . . 4.790 4.474 4.361 4.711 . 0 0 "[ . 1 . 2]" 1
300 1 18 MET HA 1 18 MET HG2 . . 3.960 2.429 2.218 3.376 . 0 0 "[ . 1 . 2]" 1
301 1 18 MET HA 1 18 MET QG . . 3.410 2.227 2.129 2.424 . 0 0 "[ . 1 . 2]" 1
302 1 18 MET HA 1 18 MET HG3 . . 3.960 3.007 2.164 3.518 . 0 0 "[ . 1 . 2]" 1
303 1 18 MET HA 1 20 LEU MD1 . . 4.860 4.636 4.240 4.840 . 0 0 "[ . 1 . 2]" 1
304 1 18 MET HB2 1 19 GLY H . . 3.630 2.936 2.656 3.159 . 0 0 "[ . 1 . 2]" 1
305 1 18 MET HB2 1 20 LEU H . . 3.430 2.993 2.704 3.430 0.000 18 0 "[ . 1 . 2]" 1
306 1 18 MET HB3 1 18 MET ME . . 3.420 2.916 2.770 3.246 . 0 0 "[ . 1 . 2]" 1
307 1 18 MET HB3 1 19 GLY H . . 4.090 3.617 2.765 4.068 . 0 0 "[ . 1 . 2]" 1
308 1 18 MET HB3 1 20 LEU H . . 4.930 3.352 3.088 3.873 . 0 0 "[ . 1 . 2]" 1
309 1 18 MET HB3 1 20 LEU MD1 . . 4.600 2.670 2.178 3.209 . 0 0 "[ . 1 . 2]" 1
310 1 18 MET HB3 1 20 LEU MD2 . . 3.890 2.797 2.550 3.148 . 0 0 "[ . 1 . 2]" 1
311 1 18 MET ME 1 18 MET HG2 . . 3.880 3.204 2.199 3.384 . 0 0 "[ . 1 . 2]" 1
312 1 18 MET ME 1 18 MET QG . . 3.340 2.349 2.170 2.430 . 0 0 "[ . 1 . 2]" 1
313 1 18 MET ME 1 18 MET HG3 . . 3.880 2.562 2.209 3.371 . 0 0 "[ . 1 . 2]" 1
314 1 18 MET ME 1 20 LEU MD1 . . 3.320 1.814 1.715 1.982 . 0 0 "[ . 1 . 2]" 1
315 1 18 MET ME 1 58 PHE H . . 5.500 5.464 5.222 5.510 0.010 9 0 "[ . 1 . 2]" 1
316 1 18 MET ME 1 58 PHE HB2 . . 4.770 3.776 3.526 3.994 . 0 0 "[ . 1 . 2]" 1
317 1 18 MET ME 1 58 PHE HB3 . . 4.930 4.074 3.548 4.706 . 0 0 "[ . 1 . 2]" 1
318 1 18 MET ME 1 58 PHE QD . . 3.940 3.210 3.024 3.310 . 0 0 "[ . 1 . 2]" 1
319 1 18 MET QG 1 20 LEU MD2 . . 4.110 3.956 3.252 4.127 0.017 2 0 "[ . 1 . 2]" 1
320 1 18 MET QG 1 20 LEU HG . . 4.570 4.122 3.763 4.222 . 0 0 "[ . 1 . 2]" 1
321 1 19 GLY H 1 20 LEU H . . 3.300 2.297 1.896 2.586 . 0 0 "[ . 1 . 2]" 1
322 1 19 GLY H 1 20 LEU MD1 . . 4.740 3.802 3.155 4.245 . 0 0 "[ . 1 . 2]" 1
323 1 20 LEU H 1 20 LEU HB3 . . 3.720 3.440 3.382 3.509 . 0 0 "[ . 1 . 2]" 1
324 1 20 LEU H 1 20 LEU MD1 . . 4.060 2.456 2.136 2.713 . 0 0 "[ . 1 . 2]" 1
325 1 20 LEU H 1 20 LEU MD2 . . 4.120 3.876 3.803 3.931 . 0 0 "[ . 1 . 2]" 1
326 1 20 LEU H 1 20 LEU HG . . 3.530 2.239 2.150 2.329 . 0 0 "[ . 1 . 2]" 1
327 1 20 LEU H 1 21 ASN H . . 4.580 4.446 4.436 4.474 . 0 0 "[ . 1 . 2]" 1
328 1 20 LEU H 1 58 PHE HB2 . . 5.500 5.237 5.006 5.375 . 0 0 "[ . 1 . 2]" 1
329 1 20 LEU HA 1 21 ASN H . . 3.180 2.451 2.362 2.482 . 0 0 "[ . 1 . 2]" 1
330 1 20 LEU HB2 1 21 ASN H . . 3.360 2.326 2.246 2.556 . 0 0 "[ . 1 . 2]" 1
331 1 20 LEU HB2 1 58 PHE HB2 . . 4.280 2.524 2.323 2.810 . 0 0 "[ . 1 . 2]" 1
332 1 20 LEU HB2 1 58 PHE HB3 . . 4.280 4.045 3.862 4.240 . 0 0 "[ . 1 . 2]" 1
333 1 20 LEU HB2 1 59 TYR H . . 4.030 2.822 2.607 3.078 . 0 0 "[ . 1 . 2]" 1
334 1 20 LEU HB3 1 21 ASN H . . 3.920 3.471 3.374 3.553 . 0 0 "[ . 1 . 2]" 1
335 1 20 LEU HB3 1 59 TYR H . . 4.590 3.985 3.721 4.325 . 0 0 "[ . 1 . 2]" 1
336 1 20 LEU MD1 1 21 ASN H . . 4.300 3.293 3.091 3.585 . 0 0 "[ . 1 . 2]" 1
337 1 20 LEU MD1 1 58 PHE HB2 . . 3.960 1.957 1.920 2.023 . 0 0 "[ . 1 . 2]" 1
338 1 20 LEU MD1 1 58 PHE HB3 . . 4.320 2.811 2.683 2.932 . 0 0 "[ . 1 . 2]" 1
339 1 20 LEU MD1 1 59 TYR H . . 4.560 3.960 3.744 4.100 . 0 0 "[ . 1 . 2]" 1
340 1 20 LEU MD1 1 60 GLU H . . 5.490 5.313 5.026 5.501 0.011 11 0 "[ . 1 . 2]" 1
341 1 20 LEU MD1 1 60 GLU HB3 . . 4.980 4.766 4.487 4.984 0.004 16 0 "[ . 1 . 2]" 1
342 1 20 LEU MD2 1 21 ASN H . . 4.510 4.387 4.276 4.524 0.014 13 0 "[ . 1 . 2]" 1
343 1 20 LEU MD2 1 59 TYR H . . 3.990 3.422 3.137 3.887 . 0 0 "[ . 1 . 2]" 1
344 1 20 LEU MD2 1 59 TYR HA . . 4.040 2.854 2.371 3.320 . 0 0 "[ . 1 . 2]" 1
345 1 20 LEU MD2 1 60 GLU H . . 3.780 3.048 2.631 3.486 . 0 0 "[ . 1 . 2]" 1
346 1 20 LEU MD2 1 60 GLU HA . . 4.360 3.656 3.194 4.118 . 0 0 "[ . 1 . 2]" 1
347 1 20 LEU MD2 1 60 GLU HB3 . . 3.980 2.379 1.989 2.833 . 0 0 "[ . 1 . 2]" 1
348 1 21 ASN H 1 21 ASN QB . . 3.470 2.658 2.249 3.092 . 0 0 "[ . 1 . 2]" 1
349 1 21 ASN H 1 22 TYR H . . 4.590 4.514 4.473 4.554 . 0 0 "[ . 1 . 2]" 1
350 1 21 ASN H 1 59 TYR H . . 4.090 3.401 3.240 3.608 . 0 0 "[ . 1 . 2]" 1
351 1 21 ASN H 1 59 TYR HB2 . . 5.500 5.490 5.326 5.532 0.032 18 0 "[ . 1 . 2]" 1
352 1 21 ASN H 1 59 TYR QD . . 5.500 5.533 5.504 5.555 0.055 17 0 "[ . 1 . 2]" 1
353 1 21 ASN HA 1 22 TYR H . . 3.280 2.246 2.218 2.256 . 0 0 "[ . 1 . 2]" 1
354 1 21 ASN QB 1 22 TYR H . . 3.420 2.925 2.778 3.467 0.047 8 0 "[ . 1 . 2]" 1
355 1 21 ASN QB 1 59 TYR H . . 5.340 4.957 4.358 5.354 0.014 9 0 "[ . 1 . 2]" 1
356 1 22 TYR H 1 22 TYR HD1 . . 4.570 4.475 4.322 4.573 0.003 2 0 "[ . 1 . 2]" 1
357 1 22 TYR H 1 22 TYR HD2 . . 4.260 2.811 2.664 2.932 . 0 0 "[ . 1 . 2]" 1
358 1 22 TYR H 1 23 VAL H . . 4.730 4.455 4.429 4.473 . 0 0 "[ . 1 . 2]" 1
359 1 22 TYR H 1 23 VAL QG . . 4.750 4.783 4.719 4.848 0.098 8 0 "[ . 1 . 2]" 1
360 1 22 TYR H 1 56 THR MG . . 5.260 5.072 4.996 5.284 0.024 16 0 "[ . 1 . 2]" 1
361 1 22 TYR H 1 58 PHE HB2 . . 5.460 4.976 4.781 5.286 . 0 0 "[ . 1 . 2]" 1
362 1 22 TYR HA 1 23 VAL H . . 3.210 2.333 2.300 2.379 . 0 0 "[ . 1 . 2]" 1
363 1 22 TYR HA 1 56 THR MG . . 4.520 3.613 3.502 3.746 . 0 0 "[ . 1 . 2]" 1
364 1 22 TYR HA 1 57 VAL H . . 5.200 4.105 4.042 4.162 . 0 0 "[ . 1 . 2]" 1
365 1 22 TYR HA 1 58 PHE H . . 5.060 4.583 4.497 4.734 . 0 0 "[ . 1 . 2]" 1
366 1 22 TYR HA 1 58 PHE HA . . 4.080 2.938 2.878 2.973 . 0 0 "[ . 1 . 2]" 1
367 1 22 TYR HA 1 58 PHE HB2 . . 4.790 3.941 3.824 4.165 . 0 0 "[ . 1 . 2]" 1
368 1 22 TYR HA 1 58 PHE HB3 . . 4.770 2.508 2.340 2.858 . 0 0 "[ . 1 . 2]" 1
369 1 22 TYR HA 1 58 PHE QD . . 5.500 3.813 3.614 4.221 . 0 0 "[ . 1 . 2]" 1
370 1 22 TYR HA 1 59 TYR H . . 4.780 4.777 4.675 4.816 0.036 19 0 "[ . 1 . 2]" 1
371 1 22 TYR QB 1 23 VAL H . . 3.410 2.616 2.489 2.701 . 0 0 "[ . 1 . 2]" 1
372 1 22 TYR QB 1 56 THR MG . . 3.740 1.998 1.924 2.152 . 0 0 "[ . 1 . 2]" 1
373 1 22 TYR HB2 1 23 VAL H . . 4.070 2.654 2.520 2.744 . 0 0 "[ . 1 . 2]" 1
374 1 22 TYR HB2 1 56 THR MG . . 4.260 2.016 1.940 2.174 . 0 0 "[ . 1 . 2]" 1
375 1 22 TYR HB3 1 23 VAL H . . 4.070 3.967 3.867 4.027 . 0 0 "[ . 1 . 2]" 1
376 1 22 TYR HB3 1 56 THR MG . . 4.260 3.270 3.183 3.436 . 0 0 "[ . 1 . 2]" 1
377 1 22 TYR HD1 1 23 VAL H . . 3.820 3.144 3.039 3.252 . 0 0 "[ . 1 . 2]" 1
378 1 22 TYR HD1 1 23 VAL QG . . 4.980 4.338 4.282 4.395 . 0 0 "[ . 1 . 2]" 1
379 1 22 TYR HD1 1 24 ARG H . . 4.250 4.071 3.887 4.248 . 0 0 "[ . 1 . 2]" 1
380 1 22 TYR HD1 1 56 THR MG . . 3.880 2.212 2.067 2.401 . 0 0 "[ . 1 . 2]" 1
381 1 22 TYR HD1 1 57 VAL H . . 5.090 5.096 5.069 5.120 0.030 16 0 "[ . 1 . 2]" 1
382 1 22 TYR HD2 1 56 THR MG . . 4.810 4.612 4.476 4.814 0.004 16 0 "[ . 1 . 2]" 1
383 1 23 VAL H 1 23 VAL HB . . 3.790 3.480 3.448 3.508 . 0 0 "[ . 1 . 2]" 1
384 1 23 VAL H 1 23 VAL MG1 . . 4.560 2.371 2.254 2.436 . 0 0 "[ . 1 . 2]" 1
385 1 23 VAL H 1 23 VAL QG . . 3.630 2.352 2.241 2.414 . 0 0 "[ . 1 . 2]" 1
386 1 23 VAL H 1 23 VAL MG2 . . 4.560 3.912 3.870 3.935 . 0 0 "[ . 1 . 2]" 1
387 1 23 VAL H 1 24 ARG H . . 4.500 4.274 4.211 4.307 . 0 0 "[ . 1 . 2]" 1
388 1 23 VAL H 1 24 ARG HA . . 5.130 4.624 4.592 4.648 . 0 0 "[ . 1 . 2]" 1
389 1 23 VAL H 1 24 ARG HD2 . . 4.900 4.072 3.748 4.521 . 0 0 "[ . 1 . 2]" 1
390 1 23 VAL H 1 56 THR HA . . 4.610 3.405 3.341 3.602 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL H 1 56 THR MG . . 3.850 2.603 2.513 2.888 . 0 0 "[ . 1 . 2]" 1
392 1 23 VAL H 1 57 VAL H . . 3.570 2.826 2.770 2.887 . 0 0 "[ . 1 . 2]" 1
393 1 23 VAL H 1 57 VAL HA . . 5.270 5.205 5.170 5.250 . 0 0 "[ . 1 . 2]" 1
394 1 23 VAL H 1 57 VAL QG . . 4.740 3.636 3.495 3.832 . 0 0 "[ . 1 . 2]" 1
395 1 23 VAL H 1 58 PHE HA . . 5.460 4.656 4.551 4.715 . 0 0 "[ . 1 . 2]" 1
396 1 23 VAL H 1 58 PHE QD . . 4.940 4.716 4.557 4.945 0.005 16 0 "[ . 1 . 2]" 1
397 1 23 VAL HA 1 24 ARG H . . 3.180 2.202 2.170 2.226 . 0 0 "[ . 1 . 2]" 1
398 1 23 VAL HB 1 24 ARG H . . 4.760 3.980 3.942 4.052 . 0 0 "[ . 1 . 2]" 1
399 1 23 VAL QG 1 24 ARG H . . 3.230 2.197 2.016 2.401 . 0 0 "[ . 1 . 2]" 1
400 1 23 VAL MG1 1 24 ARG H . . 4.210 3.963 3.900 4.052 . 0 0 "[ . 1 . 2]" 1
401 1 23 VAL MG2 1 24 ARG H . . 4.210 2.208 2.022 2.419 . 0 0 "[ . 1 . 2]" 1
402 1 24 ARG H 1 24 ARG HB2 . . 3.700 2.295 2.269 2.332 . 0 0 "[ . 1 . 2]" 1
403 1 24 ARG H 1 24 ARG HB3 . . 3.830 3.546 3.473 3.575 . 0 0 "[ . 1 . 2]" 1
404 1 24 ARG H 1 24 ARG HD2 . . 4.630 3.439 3.172 3.950 . 0 0 "[ . 1 . 2]" 1
405 1 24 ARG H 1 24 ARG HD3 . . 5.500 2.475 2.307 2.935 . 0 0 "[ . 1 . 2]" 1
406 1 24 ARG H 1 24 ARG HG3 . . 4.330 4.135 4.069 4.219 . 0 0 "[ . 1 . 2]" 1
407 1 24 ARG H 1 25 TYR H . . 4.570 4.463 4.448 4.472 . 0 0 "[ . 1 . 2]" 1
408 1 24 ARG H 1 25 TYR QD . . 5.500 5.446 5.193 5.524 0.024 4 0 "[ . 1 . 2]" 1
409 1 24 ARG HA 1 25 TYR H . . 3.110 2.155 2.153 2.166 . 0 0 "[ . 1 . 2]" 1
410 1 24 ARG HA 1 25 TYR QD . . 4.800 4.140 3.785 4.607 . 0 0 "[ . 1 . 2]" 1
411 1 24 ARG HA 1 55 ILE H . . 4.330 3.312 3.181 3.493 . 0 0 "[ . 1 . 2]" 1
412 1 24 ARG HA 1 56 THR HA . . 4.090 2.941 2.857 3.009 . 0 0 "[ . 1 . 2]" 1
413 1 24 ARG HA 1 56 THR MG . . 4.340 3.690 3.604 3.792 . 0 0 "[ . 1 . 2]" 1
414 1 24 ARG HA 1 57 VAL H . . 4.650 4.616 4.450 4.673 0.023 17 0 "[ . 1 . 2]" 1
415 1 24 ARG HB2 1 25 TYR H . . 4.490 4.358 4.304 4.402 . 0 0 "[ . 1 . 2]" 1
416 1 24 ARG HB2 1 56 THR MG . . 5.030 4.827 4.602 5.015 . 0 0 "[ . 1 . 2]" 1
417 1 24 ARG HB3 1 25 TYR H . . 3.970 3.331 3.240 3.375 . 0 0 "[ . 1 . 2]" 1
418 1 24 ARG HB3 1 54 ILE MG . . 4.490 2.172 1.996 2.375 . 0 0 "[ . 1 . 2]" 1
419 1 24 ARG HD2 1 25 TYR H . . 5.300 5.007 4.700 5.290 . 0 0 "[ . 1 . 2]" 1
420 1 24 ARG HD2 1 54 ILE MG . . 4.100 3.910 3.769 4.021 . 0 0 "[ . 1 . 2]" 1
421 1 24 ARG HD2 1 55 ILE H . . 5.500 5.520 5.436 5.587 0.087 19 0 "[ . 1 . 2]" 1
422 1 24 ARG HD2 1 56 THR MG . . 4.410 2.005 1.937 2.187 . 0 0 "[ . 1 . 2]" 1
423 1 24 ARG HD3 1 54 ILE MG . . 4.370 4.272 4.168 4.383 0.013 9 0 "[ . 1 . 2]" 1
424 1 24 ARG HD3 1 56 THR HA . . 4.660 4.562 4.314 4.675 0.015 20 0 "[ . 1 . 2]" 1
425 1 24 ARG HG2 1 54 ILE HG13 . . 5.500 4.890 4.647 5.175 . 0 0 "[ . 1 . 2]" 1
426 1 24 ARG HG2 1 54 ILE MG . . 3.870 2.374 1.955 2.537 . 0 0 "[ . 1 . 2]" 1
427 1 24 ARG HG3 1 54 ILE HB . . 4.440 4.446 4.386 4.477 0.037 5 0 "[ . 1 . 2]" 1
428 1 24 ARG HG3 1 54 ILE MG . . 4.100 2.057 1.997 2.243 . 0 0 "[ . 1 . 2]" 1
429 1 24 ARG HG3 1 55 ILE H . . 4.460 3.766 3.478 3.972 . 0 0 "[ . 1 . 2]" 1
430 1 24 ARG HG3 1 56 THR H . . 4.700 4.394 4.091 4.604 . 0 0 "[ . 1 . 2]" 1
431 1 24 ARG HG3 1 56 THR MG . . 4.280 3.537 3.403 3.660 . 0 0 "[ . 1 . 2]" 1
432 1 25 TYR H 1 25 TYR HB2 . . 3.650 2.529 2.416 2.688 . 0 0 "[ . 1 . 2]" 1
433 1 25 TYR H 1 25 TYR QD . . 3.520 3.020 2.749 3.441 . 0 0 "[ . 1 . 2]" 1
434 1 25 TYR H 1 54 ILE HA . . 3.980 3.779 3.729 3.953 . 0 0 "[ . 1 . 2]" 1
435 1 25 TYR H 1 54 ILE MG . . 3.680 3.353 3.196 3.601 . 0 0 "[ . 1 . 2]" 1
436 1 25 TYR H 1 55 ILE H . . 3.640 2.149 2.035 2.374 . 0 0 "[ . 1 . 2]" 1
437 1 25 TYR H 1 55 ILE HB . . 3.520 3.019 2.863 3.183 . 0 0 "[ . 1 . 2]" 1
438 1 25 TYR H 1 55 ILE HG13 . . 4.250 4.267 4.253 4.282 0.032 16 0 "[ . 1 . 2]" 1
439 1 25 TYR H 1 55 ILE MG . . 5.430 4.252 4.068 4.457 . 0 0 "[ . 1 . 2]" 1
440 1 25 TYR H 1 56 THR HA . . 4.460 4.199 4.119 4.266 . 0 0 "[ . 1 . 2]" 1
441 1 25 TYR H 1 57 VAL H . . 5.500 5.552 5.521 5.577 0.077 9 0 "[ . 1 . 2]" 1
442 1 25 TYR HA 1 25 TYR QD . . 4.140 2.581 2.179 2.838 . 0 0 "[ . 1 . 2]" 1
443 1 25 TYR HA 1 26 ARG H . . 3.110 2.251 2.194 2.305 . 0 0 "[ . 1 . 2]" 1
444 1 25 TYR HB2 1 27 VAL H . . 5.500 5.280 5.038 5.459 . 0 0 "[ . 1 . 2]" 1
445 1 25 TYR HB2 1 54 ILE MG . . 5.500 5.103 4.966 5.400 . 0 0 "[ . 1 . 2]" 1
446 1 25 TYR HB2 1 55 ILE H . . 4.280 3.397 3.219 3.643 . 0 0 "[ . 1 . 2]" 1
447 1 25 TYR HB2 1 55 ILE MD . . 4.270 3.051 2.743 3.414 . 0 0 "[ . 1 . 2]" 1
448 1 25 TYR HB2 1 55 ILE HG13 . . 4.160 3.569 3.466 3.722 . 0 0 "[ . 1 . 2]" 1
449 1 25 TYR HB3 1 26 ARG H . . 3.790 2.843 2.677 3.046 . 0 0 "[ . 1 . 2]" 1
450 1 25 TYR HB3 1 55 ILE H . . 5.120 4.823 4.532 5.140 0.020 16 0 "[ . 1 . 2]" 1
451 1 25 TYR HB3 1 55 ILE HB . . 4.520 4.016 3.663 4.529 0.009 16 0 "[ . 1 . 2]" 1
452 1 25 TYR HB3 1 55 ILE MD . . 4.490 3.979 3.440 4.503 0.013 1 0 "[ . 1 . 2]" 1
453 1 25 TYR QD 1 26 ARG H . . 4.540 3.788 3.459 4.124 . 0 0 "[ . 1 . 2]" 1
454 1 25 TYR QD 1 55 ILE H . . 4.980 4.205 3.979 4.563 . 0 0 "[ . 1 . 2]" 1
455 1 25 TYR QD 1 83 GLU QG . . 4.890 4.267 3.729 4.926 0.036 16 0 "[ . 1 . 2]" 1
456 1 25 TYR QD 1 86 MET H . . 5.500 5.293 4.752 5.523 0.023 1 0 "[ . 1 . 2]" 1
457 1 25 TYR QD 1 86 MET ME . . 5.010 4.752 4.180 5.029 0.019 5 0 "[ . 1 . 2]" 1
458 1 26 ARG H 1 26 ARG HB2 . . 3.650 2.618 2.309 2.965 . 0 0 "[ . 1 . 2]" 1
459 1 26 ARG H 1 26 ARG QB . . 3.130 2.388 2.272 2.434 . 0 0 "[ . 1 . 2]" 1
460 1 26 ARG H 1 26 ARG HB3 . . 3.650 2.905 2.518 3.448 . 0 0 "[ . 1 . 2]" 1
461 1 26 ARG H 1 26 ARG QG . . 4.200 3.970 3.510 4.137 . 0 0 "[ . 1 . 2]" 1
462 1 26 ARG H 1 27 VAL H . . 4.370 4.269 4.240 4.284 . 0 0 "[ . 1 . 2]" 1
463 1 26 ARG H 1 27 VAL HA . . 5.080 5.021 5.014 5.032 . 0 0 "[ . 1 . 2]" 1
464 1 26 ARG HA 1 26 ARG QD . . 3.950 3.616 2.566 3.968 0.018 17 0 "[ . 1 . 2]" 1
465 1 26 ARG HA 1 27 VAL H . . 3.190 2.144 2.143 2.148 . 0 0 "[ . 1 . 2]" 1
466 1 26 ARG HA 1 54 ILE HA . . 4.450 3.545 3.251 3.792 . 0 0 "[ . 1 . 2]" 1
467 1 26 ARG HA 1 54 ILE MD . . 3.670 3.195 2.972 3.478 . 0 0 "[ . 1 . 2]" 1
468 1 26 ARG QB 1 27 VAL H . . 4.440 3.794 3.565 3.891 . 0 0 "[ . 1 . 2]" 1
469 1 26 ARG QB 1 54 ILE MD . . 5.340 4.025 3.416 4.422 . 0 0 "[ . 1 . 2]" 1
470 1 26 ARG HB2 1 27 VAL H . . 5.150 4.504 4.365 4.577 . 0 0 "[ . 1 . 2]" 1
471 1 26 ARG HB3 1 27 VAL H . . 5.150 4.102 3.724 4.370 . 0 0 "[ . 1 . 2]" 1
472 1 26 ARG QD 1 27 VAL H . . 5.500 4.713 3.285 5.419 . 0 0 "[ . 1 . 2]" 1
473 1 26 ARG QG 1 27 VAL H . . 3.870 3.251 2.962 3.801 . 0 0 "[ . 1 . 2]" 1
474 1 26 ARG QG 1 52 ASP QB . . 4.140 2.174 1.821 3.586 . 0 0 "[ . 1 . 2]" 1
475 1 26 ARG QG 1 53 LEU H . . 4.350 3.508 3.120 4.239 . 0 0 "[ . 1 . 2]" 1
476 1 26 ARG QG 1 54 ILE MD . . 3.890 3.134 2.271 3.896 0.006 1 0 "[ . 1 . 2]" 1
477 1 27 VAL H 1 27 VAL HB . . 3.600 2.915 2.649 3.808 0.208 16 0 "[ . 1 . 2]" 1
478 1 27 VAL H 1 27 VAL QG . . 3.890 2.506 1.930 2.832 . 0 0 "[ . 1 . 2]" 1
479 1 27 VAL H 1 28 SER H . . 4.620 4.318 4.201 4.402 . 0 0 "[ . 1 . 2]" 1
480 1 27 VAL H 1 52 ASP HA . . 4.520 4.269 4.090 4.408 . 0 0 "[ . 1 . 2]" 1
481 1 27 VAL H 1 52 ASP QB . . 4.530 3.522 3.067 4.014 . 0 0 "[ . 1 . 2]" 1
482 1 27 VAL H 1 53 LEU H . . 3.870 2.254 2.158 2.548 . 0 0 "[ . 1 . 2]" 1
483 1 27 VAL H 1 53 LEU HB3 . . 4.230 3.196 2.756 3.722 . 0 0 "[ . 1 . 2]" 1
484 1 27 VAL H 1 54 ILE HA . . 4.690 4.351 4.243 4.540 . 0 0 "[ . 1 . 2]" 1
485 1 27 VAL H 1 54 ILE MD . . 4.360 4.207 4.033 4.368 0.008 15 0 "[ . 1 . 2]" 1
486 1 27 VAL H 1 55 ILE H . . 5.500 5.466 5.237 5.582 0.082 16 0 "[ . 1 . 2]" 1
487 1 27 VAL HA 1 28 SER H . . 2.930 2.155 2.140 2.180 . 0 0 "[ . 1 . 2]" 1
488 1 27 VAL HA 1 30 LEU QD . . 4.510 4.167 3.821 4.533 0.023 3 0 "[ . 1 . 2]" 1
489 1 27 VAL HB 1 28 SER H . . 4.600 4.057 3.072 4.332 . 0 0 "[ . 1 . 2]" 1
490 1 27 VAL HB 1 30 LEU QD . . 4.040 2.691 1.966 4.052 0.012 20 0 "[ . 1 . 2]" 1
491 1 27 VAL HB 1 53 LEU H . . 4.990 4.002 3.443 4.994 0.004 16 0 "[ . 1 . 2]" 1
492 1 27 VAL HB 1 53 LEU HB2 . . 5.020 3.638 2.913 5.060 0.040 16 0 "[ . 1 . 2]" 1
493 1 27 VAL QG 1 28 SER H . . 3.370 2.667 2.165 3.446 0.076 16 0 "[ . 1 . 2]" 1
494 1 27 VAL QG 1 28 SER HA . . 4.330 3.642 3.266 4.098 . 0 0 "[ . 1 . 2]" 1
495 1 27 VAL QG 1 29 GLY H . . 4.950 4.379 4.045 5.000 0.050 3 0 "[ . 1 . 2]" 1
496 1 27 VAL QG 1 30 LEU H . . 4.290 3.877 3.249 4.323 0.033 4 0 "[ . 1 . 2]" 1
497 1 27 VAL QG 1 30 LEU QD . . 2.530 1.865 1.641 2.165 . 0 0 "[ . 1 . 2]" 1
498 1 27 VAL QG 1 30 LEU HG . . 3.880 3.062 2.315 3.734 . 0 0 "[ . 1 . 2]" 1
499 1 27 VAL QG 1 53 LEU HB2 . . 4.190 3.241 1.927 3.959 . 0 0 "[ . 1 . 2]" 1
500 1 27 VAL QG 1 53 LEU HB3 . . 4.300 2.733 1.883 3.450 . 0 0 "[ . 1 . 2]" 1
501 1 28 SER H 1 28 SER HB2 . . 3.990 3.552 3.511 3.627 . 0 0 "[ . 1 . 2]" 1
502 1 28 SER H 1 28 SER HB3 . . 3.990 3.475 3.408 3.547 . 0 0 "[ . 1 . 2]" 1
503 1 28 SER H 1 29 GLY H . . 4.570 4.416 4.371 4.450 . 0 0 "[ . 1 . 2]" 1
504 1 28 SER H 1 30 LEU QD . . 5.190 4.038 3.503 4.677 . 0 0 "[ . 1 . 2]" 1
505 1 28 SER HA 1 29 GLY H . . 3.170 2.185 2.181 2.202 . 0 0 "[ . 1 . 2]" 1
506 1 28 SER HA 1 30 LEU H . . 4.380 3.512 3.338 3.948 . 0 0 "[ . 1 . 2]" 1
507 1 28 SER HA 1 52 ASP HA . . 3.960 2.757 2.498 3.024 . 0 0 "[ . 1 . 2]" 1
508 1 28 SER QB 1 29 GLY H . . 3.200 3.061 2.995 3.075 . 0 0 "[ . 1 . 2]" 1
509 1 28 SER QB 1 52 ASP H . . 4.690 4.710 4.696 4.723 0.033 5 0 "[ . 1 . 2]" 1
510 1 28 SER HB2 1 29 GLY H . . 3.930 3.237 3.156 3.266 . 0 0 "[ . 1 . 2]" 1
511 1 28 SER HB3 1 29 GLY H . . 3.930 3.772 3.726 3.822 . 0 0 "[ . 1 . 2]" 1
512 1 29 GLY H 1 30 LEU H . . 3.240 2.163 1.883 2.790 . 0 0 "[ . 1 . 2]" 1
513 1 29 GLY H 1 30 LEU HA . . 5.150 4.753 4.571 4.996 . 0 0 "[ . 1 . 2]" 1
514 1 29 GLY H 1 30 LEU QD . . 4.460 3.391 2.140 4.397 . 0 0 "[ . 1 . 2]" 1
515 1 29 GLY H 1 53 LEU HB2 . . 5.500 5.400 5.149 5.534 0.034 16 0 "[ . 1 . 2]" 1
516 1 30 LEU H 1 30 LEU QB . . 3.140 2.764 2.516 3.097 . 0 0 "[ . 1 . 2]" 1
517 1 30 LEU H 1 30 LEU MD1 . . 3.520 2.771 1.986 3.630 0.110 16 0 "[ . 1 . 2]" 1
518 1 30 LEU H 1 30 LEU MD2 . . 3.520 2.873 1.823 3.692 0.172 19 0 "[ . 1 . 2]" 1
519 1 30 LEU H 1 30 LEU HG . . 3.680 2.650 1.932 3.863 0.183 14 0 "[ . 1 . 2]" 1
520 1 30 LEU H 1 31 ASP H . . 4.630 4.533 4.439 4.628 . 0 0 "[ . 1 . 2]" 1
521 1 30 LEU HA 1 30 LEU MD1 . . 4.540 3.493 2.001 4.073 . 0 0 "[ . 1 . 2]" 1
522 1 30 LEU HA 1 30 LEU QD . . 3.670 2.805 1.989 3.443 . 0 0 "[ . 1 . 2]" 1
523 1 30 LEU HA 1 30 LEU MD2 . . 4.540 3.239 2.391 4.012 . 0 0 "[ . 1 . 2]" 1
524 1 30 LEU HA 1 31 ASP H . . 2.900 2.524 2.442 2.652 . 0 0 "[ . 1 . 2]" 1
525 1 30 LEU HA 1 31 ASP HA . . 4.520 4.446 4.411 4.465 . 0 0 "[ . 1 . 2]" 1
526 1 30 LEU HA 1 34 LEU HB3 . . 4.130 3.897 3.282 4.149 0.019 4 0 "[ . 1 . 2]" 1
527 1 30 LEU HA 1 34 LEU QD . . 4.780 3.706 2.663 4.668 . 0 0 "[ . 1 . 2]" 1
528 1 30 LEU QB 1 31 ASP H . . 3.150 2.189 2.004 2.298 . 0 0 "[ . 1 . 2]" 1
529 1 30 LEU HB2 1 31 ASP H . . 3.730 2.759 2.045 3.379 . 0 0 "[ . 1 . 2]" 1
530 1 30 LEU HB3 1 31 ASP H . . 3.730 2.735 2.038 3.534 . 0 0 "[ . 1 . 2]" 1
531 1 30 LEU QD 1 31 ASP H . . 3.960 3.402 2.810 3.788 . 0 0 "[ . 1 . 2]" 1
532 1 30 LEU QD 1 53 LEU HB3 . . 4.680 2.813 2.267 3.613 . 0 0 "[ . 1 . 2]" 1
533 1 30 LEU QD 1 53 LEU QD . . 3.400 2.453 1.761 3.393 . 0 0 "[ . 1 . 2]" 1
534 1 30 LEU QD 1 53 LEU HG . . 4.730 2.680 1.885 3.723 . 0 0 "[ . 1 . 2]" 1
535 1 31 ASP H 1 31 ASP HB2 . . 3.760 2.543 2.422 2.820 . 0 0 "[ . 1 . 2]" 1
536 1 31 ASP H 1 31 ASP HB3 . . 3.880 3.655 3.542 3.833 . 0 0 "[ . 1 . 2]" 1
537 1 31 ASP H 1 33 GLU H . . 5.110 5.052 4.506 5.144 0.034 17 0 "[ . 1 . 2]" 1
538 1 31 ASP H 1 34 LEU H . . 4.200 3.616 3.172 3.833 . 0 0 "[ . 1 . 2]" 1
539 1 31 ASP H 1 34 LEU HA . . 5.130 4.857 4.520 5.097 . 0 0 "[ . 1 . 2]" 1
540 1 31 ASP H 1 34 LEU HB3 . . 3.630 2.562 1.978 2.977 . 0 0 "[ . 1 . 2]" 1
541 1 31 ASP H 1 35 THR H . . 4.640 3.449 3.337 3.540 . 0 0 "[ . 1 . 2]" 1
542 1 31 ASP H 1 35 THR HB . . 5.500 5.485 5.280 5.540 0.040 16 0 "[ . 1 . 2]" 1
543 1 31 ASP HA 1 32 GLU HA . . 4.530 4.296 4.291 4.302 . 0 0 "[ . 1 . 2]" 1
544 1 31 ASP HA 1 32 GLU QG . . 4.040 3.880 3.635 4.097 0.057 10 0 "[ . 1 . 2]" 1
545 1 31 ASP HA 1 33 GLU H . . 4.490 4.482 4.306 4.597 0.107 10 0 "[ . 1 . 2]" 1
546 1 31 ASP HA 1 34 LEU H . . 4.740 4.613 4.462 4.735 . 0 0 "[ . 1 . 2]" 1
547 1 31 ASP HB2 1 32 GLU H . . 4.410 3.707 3.396 3.929 . 0 0 "[ . 1 . 2]" 1
548 1 31 ASP HB2 1 33 GLU H . . 4.550 3.702 3.168 4.043 . 0 0 "[ . 1 . 2]" 1
549 1 31 ASP HB2 1 33 GLU HB3 . . 4.660 4.141 3.698 4.528 . 0 0 "[ . 1 . 2]" 1
550 1 31 ASP HB3 1 32 GLU H . . 4.430 2.374 2.198 2.553 . 0 0 "[ . 1 . 2]" 1
551 1 31 ASP HB3 1 32 GLU QB . . 4.160 4.065 3.876 4.386 0.226 10 0 "[ . 1 . 2]" 1
552 1 31 ASP HB3 1 33 GLU H . . 4.350 2.733 2.528 3.312 . 0 0 "[ . 1 . 2]" 1
553 1 32 GLU H 1 32 GLU QB . . 3.700 2.515 2.333 2.628 . 0 0 "[ . 1 . 2]" 1
554 1 32 GLU H 1 32 GLU QG . . 4.550 2.208 1.873 2.494 . 0 0 "[ . 1 . 2]" 1
555 1 32 GLU H 1 33 GLU H . . 3.700 2.720 2.592 2.869 . 0 0 "[ . 1 . 2]" 1
556 1 32 GLU H 1 34 LEU H . . 4.710 4.131 3.913 4.471 . 0 0 "[ . 1 . 2]" 1
557 1 32 GLU HA 1 32 GLU QG . . 3.420 2.543 2.330 3.317 . 0 0 "[ . 1 . 2]" 1
558 1 32 GLU HA 1 35 THR H . . 4.020 3.817 3.595 3.941 . 0 0 "[ . 1 . 2]" 1
559 1 32 GLU HA 1 35 THR HB . . 3.730 3.295 2.843 3.597 . 0 0 "[ . 1 . 2]" 1
560 1 32 GLU QB 1 33 GLU H . . 2.970 2.575 2.457 3.219 0.249 10 0 "[ . 1 . 2]" 1
561 1 32 GLU QB 1 35 THR HB . . 5.340 4.782 4.416 5.008 . 0 0 "[ . 1 . 2]" 1
562 1 32 GLU QG 1 33 GLU H . . 4.360 3.955 1.897 4.246 . 0 0 "[ . 1 . 2]" 1
563 1 33 GLU H 1 33 GLU HB2 . . 2.860 2.617 2.495 2.752 . 0 0 "[ . 1 . 2]" 1
564 1 33 GLU H 1 33 GLU HB3 . . 2.780 2.486 2.370 2.611 . 0 0 "[ . 1 . 2]" 1
565 1 33 GLU H 1 33 GLU QG . . 4.710 3.988 3.933 4.056 . 0 0 "[ . 1 . 2]" 1
566 1 33 GLU H 1 34 LEU H . . 2.980 2.521 2.440 2.668 . 0 0 "[ . 1 . 2]" 1
567 1 33 GLU H 1 34 LEU HB2 . . 4.510 4.328 4.242 4.487 . 0 0 "[ . 1 . 2]" 1
568 1 33 GLU H 1 36 GLU H . . 5.470 5.142 5.028 5.277 . 0 0 "[ . 1 . 2]" 1
569 1 33 GLU HA 1 33 GLU HB2 . . 3.020 2.457 2.397 2.524 . 0 0 "[ . 1 . 2]" 1
570 1 33 GLU HA 1 33 GLU QG . . 3.620 2.616 2.348 3.035 . 0 0 "[ . 1 . 2]" 1
571 1 33 GLU HA 1 36 GLU H . . 4.100 3.642 3.543 3.787 . 0 0 "[ . 1 . 2]" 1
572 1 33 GLU HB2 1 34 LEU H . . 3.960 3.876 3.697 3.971 0.011 9 0 "[ . 1 . 2]" 1
573 1 33 GLU HB3 1 34 LEU H . . 3.080 2.602 2.366 2.847 . 0 0 "[ . 1 . 2]" 1
574 1 33 GLU QG 1 34 LEU H . . 3.950 3.607 3.296 3.962 0.012 20 0 "[ . 1 . 2]" 1
575 1 34 LEU H 1 34 LEU HB2 . . 3.250 2.099 2.043 2.182 . 0 0 "[ . 1 . 2]" 1
576 1 34 LEU H 1 34 LEU HB3 . . 3.520 3.269 2.884 3.462 . 0 0 "[ . 1 . 2]" 1
577 1 34 LEU H 1 34 LEU MD1 . . 4.260 3.975 3.527 4.241 . 0 0 "[ . 1 . 2]" 1
578 1 34 LEU H 1 34 LEU MD2 . . 4.260 3.308 2.245 4.395 0.135 14 0 "[ . 1 . 2]" 1
579 1 34 LEU H 1 35 THR H . . 2.960 2.680 2.491 2.766 . 0 0 "[ . 1 . 2]" 1
580 1 34 LEU H 1 36 GLU H . . 4.580 4.301 4.192 4.348 . 0 0 "[ . 1 . 2]" 1
581 1 34 LEU H 1 37 LYS H . . 5.140 5.160 5.113 5.206 0.066 16 0 "[ . 1 . 2]" 1
582 1 34 LEU H 1 37 LYS QG . . 4.920 4.447 4.290 4.628 . 0 0 "[ . 1 . 2]" 1
583 1 34 LEU HA 1 34 LEU MD1 . . 4.600 2.760 1.979 3.806 . 0 0 "[ . 1 . 2]" 1
584 1 34 LEU HA 1 34 LEU QD . . 3.520 2.132 1.892 2.946 . 0 0 "[ . 1 . 2]" 1
585 1 34 LEU HA 1 34 LEU MD2 . . 4.600 2.457 2.065 3.827 . 0 0 "[ . 1 . 2]" 1
586 1 34 LEU HA 1 37 LYS HB2 . . 3.820 3.504 3.373 3.640 . 0 0 "[ . 1 . 2]" 1
587 1 34 LEU HA 1 37 LYS HB3 . . 4.500 4.633 4.609 4.654 0.154 20 0 "[ . 1 . 2]" 1
588 1 34 LEU HA 1 37 LYS HG2 . . 4.630 2.599 2.140 3.568 . 0 0 "[ . 1 . 2]" 1
589 1 34 LEU HA 1 37 LYS QG . . 4.000 2.189 1.989 2.317 . 0 0 "[ . 1 . 2]" 1
590 1 34 LEU HA 1 37 LYS HG3 . . 4.630 2.498 1.999 2.678 . 0 0 "[ . 1 . 2]" 1
591 1 34 LEU HA 1 38 LEU MD2 . . 5.290 3.725 3.684 3.784 . 0 0 "[ . 1 . 2]" 1
592 1 34 LEU HB2 1 35 THR H . . 3.750 3.151 2.882 3.587 . 0 0 "[ . 1 . 2]" 1
593 1 34 LEU HB3 1 35 THR H . . 3.800 3.005 2.610 3.334 . 0 0 "[ . 1 . 2]" 1
594 1 34 LEU HB3 1 38 LEU H . . 5.500 5.044 4.778 5.478 . 0 0 "[ . 1 . 2]" 1
595 1 34 LEU HB3 1 38 LEU MD2 . . 4.620 2.851 2.614 3.269 . 0 0 "[ . 1 . 2]" 1
596 1 34 LEU QD 1 37 LYS HB2 . . 4.170 2.853 2.330 3.375 . 0 0 "[ . 1 . 2]" 1
597 1 34 LEU QD 1 37 LYS HB3 . . 4.410 3.781 3.315 4.151 . 0 0 "[ . 1 . 2]" 1
598 1 34 LEU QD 1 37 LYS QD . . 4.590 3.753 1.764 4.599 0.009 20 0 "[ . 1 . 2]" 1
599 1 34 LEU QD 1 37 LYS QG . . 4.150 2.409 1.994 3.564 . 0 0 "[ . 1 . 2]" 1
600 1 34 LEU QD 1 38 LEU H . . 4.740 4.064 3.470 4.691 . 0 0 "[ . 1 . 2]" 1
601 1 35 THR H 1 35 THR HB . . 3.280 2.570 2.550 2.583 . 0 0 "[ . 1 . 2]" 1
602 1 35 THR H 1 35 THR MG . . 3.790 3.768 3.767 3.768 . 0 0 "[ . 1 . 2]" 1
603 1 35 THR H 1 36 GLU H . . 3.230 2.806 2.796 2.817 . 0 0 "[ . 1 . 2]" 1
604 1 35 THR H 1 37 LYS H . . 4.250 4.108 4.100 4.113 . 0 0 "[ . 1 . 2]" 1
605 1 35 THR HA 1 35 THR MG . . 3.380 2.391 2.337 2.419 . 0 0 "[ . 1 . 2]" 1
606 1 35 THR HA 1 37 LYS H . . 4.500 3.897 3.876 3.910 . 0 0 "[ . 1 . 2]" 1
607 1 35 THR HA 1 38 LEU H . . 4.030 3.482 3.469 3.505 . 0 0 "[ . 1 . 2]" 1
608 1 35 THR HA 1 38 LEU HB2 . . 4.990 3.389 3.329 3.426 . 0 0 "[ . 1 . 2]" 1
609 1 35 THR HA 1 38 LEU HB3 . . 5.500 5.041 4.990 5.068 . 0 0 "[ . 1 . 2]" 1
610 1 35 THR HA 1 38 LEU MD2 . . 3.680 1.941 1.927 1.983 . 0 0 "[ . 1 . 2]" 1
611 1 35 THR HA 1 39 ILE H . . 4.390 3.771 3.742 3.800 . 0 0 "[ . 1 . 2]" 1
612 1 35 THR HA 1 39 ILE HB . . 5.500 4.475 4.427 4.525 . 0 0 "[ . 1 . 2]" 1
613 1 35 THR HA 1 53 LEU QD . . 4.370 3.994 2.858 4.366 . 0 0 "[ . 1 . 2]" 1
614 1 35 THR HA 1 53 LEU HG . . 5.500 4.763 4.219 5.531 0.031 17 0 "[ . 1 . 2]" 1
615 1 35 THR HB 1 36 GLU H . . 3.260 2.654 2.623 2.691 . 0 0 "[ . 1 . 2]" 1
616 1 35 THR HB 1 36 GLU HB2 . . 5.500 4.956 4.866 4.999 . 0 0 "[ . 1 . 2]" 1
617 1 35 THR HB 1 36 GLU QG . . 4.210 3.591 3.452 3.710 . 0 0 "[ . 1 . 2]" 1
618 1 35 THR HB 1 37 LYS H . . 4.850 4.861 4.848 4.877 0.027 19 0 "[ . 1 . 2]" 1
619 1 35 THR HB 1 39 ILE H . . 5.500 5.483 5.465 5.504 0.004 10 0 "[ . 1 . 2]" 1
620 1 35 THR HB 1 39 ILE MD . . 5.410 5.173 5.126 5.287 . 0 0 "[ . 1 . 2]" 1
621 1 35 THR MG 1 36 GLU H . . 3.540 3.444 3.379 3.511 . 0 0 "[ . 1 . 2]" 1
622 1 35 THR MG 1 36 GLU HB2 . . 5.220 5.205 5.161 5.227 0.007 8 0 "[ . 1 . 2]" 1
623 1 35 THR MG 1 36 GLU QG . . 4.920 3.744 3.639 3.808 . 0 0 "[ . 1 . 2]" 1
624 1 35 THR MG 1 39 ILE MD . . 3.200 3.082 3.036 3.197 . 0 0 "[ . 1 . 2]" 1
625 1 35 THR MG 1 39 ILE HG13 . . 4.150 4.177 4.164 4.207 0.057 9 0 "[ . 1 . 2]" 1
626 1 35 THR MG 1 46 THR HB . . 3.800 2.617 2.247 3.220 . 0 0 "[ . 1 . 2]" 1
627 1 35 THR MG 1 48 ARG H . . 5.030 4.968 4.339 5.075 0.045 19 0 "[ . 1 . 2]" 1
628 1 35 THR MG 1 48 ARG QD . . 4.450 4.180 3.447 4.494 0.044 9 0 "[ . 1 . 2]" 1
629 1 35 THR MG 1 53 LEU MD1 . . 3.690 2.992 2.439 3.524 . 0 0 "[ . 1 . 2]" 1
630 1 35 THR MG 1 53 LEU QD . . 2.910 2.301 1.850 2.547 . 0 0 "[ . 1 . 2]" 1
631 1 35 THR MG 1 53 LEU MD2 . . 3.690 2.485 1.883 3.297 . 0 0 "[ . 1 . 2]" 1
632 1 35 THR MG 1 53 LEU HG . . 4.080 3.279 2.921 3.645 . 0 0 "[ . 1 . 2]" 1
633 1 36 GLU H 1 36 GLU HB2 . . 2.730 2.434 2.346 2.472 . 0 0 "[ . 1 . 2]" 1
634 1 36 GLU H 1 36 GLU HG2 . . 3.460 2.867 2.514 3.022 . 0 0 "[ . 1 . 2]" 1
635 1 36 GLU H 1 36 GLU HG3 . . 3.460 2.730 2.507 3.026 . 0 0 "[ . 1 . 2]" 1
636 1 36 GLU H 1 37 LYS H . . 3.210 2.649 2.619 2.667 . 0 0 "[ . 1 . 2]" 1
637 1 36 GLU H 1 39 ILE MD . . 5.500 5.524 5.503 5.552 0.052 18 0 "[ . 1 . 2]" 1
638 1 36 GLU HA 1 36 GLU HG2 . . 4.040 2.341 2.255 2.465 . 0 0 "[ . 1 . 2]" 1
639 1 36 GLU HA 1 36 GLU QG . . 3.470 2.307 2.228 2.430 . 0 0 "[ . 1 . 2]" 1
640 1 36 GLU HA 1 36 GLU HG3 . . 4.040 3.503 3.419 3.687 . 0 0 "[ . 1 . 2]" 1
641 1 36 GLU HA 1 39 ILE H . . 3.910 3.855 3.844 3.869 . 0 0 "[ . 1 . 2]" 1
642 1 36 GLU HA 1 39 ILE HB . . 3.520 3.566 3.550 3.579 0.059 17 0 "[ . 1 . 2]" 1
643 1 36 GLU HA 1 39 ILE MD . . 3.780 3.740 3.655 3.788 0.008 1 0 "[ . 1 . 2]" 1
644 1 36 GLU HA 1 39 ILE MG . . 3.820 1.853 1.846 1.866 . 0 0 "[ . 1 . 2]" 1
645 1 36 GLU HA 1 40 GLU H . . 4.420 4.133 4.059 4.249 . 0 0 "[ . 1 . 2]" 1
646 1 36 GLU HB2 1 36 GLU QG . . 2.620 2.164 2.129 2.195 . 0 0 "[ . 1 . 2]" 1
647 1 36 GLU HB2 1 37 LYS H . . 3.050 2.984 2.966 3.024 . 0 0 "[ . 1 . 2]" 1
648 1 36 GLU HB2 1 39 ILE MG . . 4.700 4.254 4.243 4.272 . 0 0 "[ . 1 . 2]" 1
649 1 36 GLU HB3 1 37 LYS H . . 4.720 3.861 3.796 3.905 . 0 0 "[ . 1 . 2]" 1
650 1 36 GLU HB3 1 39 ILE MG . . 4.890 3.551 3.528 3.594 . 0 0 "[ . 1 . 2]" 1
651 1 36 GLU HB3 1 40 GLU QG . . 3.830 3.785 3.555 3.842 0.012 16 0 "[ . 1 . 2]" 1
652 1 36 GLU HG2 1 37 LYS H . . 4.850 4.783 4.602 4.851 0.001 14 0 "[ . 1 . 2]" 1
653 1 36 GLU HG3 1 37 LYS H . . 4.850 4.711 4.577 4.852 0.002 8 0 "[ . 1 . 2]" 1
654 1 37 LYS H 1 37 LYS HA . . 2.940 2.853 2.848 2.862 . 0 0 "[ . 1 . 2]" 1
655 1 37 LYS H 1 37 LYS HB2 . . 3.000 2.624 2.542 2.701 . 0 0 "[ . 1 . 2]" 1
656 1 37 LYS H 1 37 LYS HB3 . . 3.700 3.600 3.593 3.607 . 0 0 "[ . 1 . 2]" 1
657 1 37 LYS H 1 37 LYS QD . . 3.880 3.609 3.165 3.867 . 0 0 "[ . 1 . 2]" 1
658 1 37 LYS H 1 37 LYS QE . . 4.970 3.794 2.274 4.917 . 0 0 "[ . 1 . 2]" 1
659 1 37 LYS H 1 37 LYS QG . . 3.210 2.003 1.925 2.156 . 0 0 "[ . 1 . 2]" 1
660 1 37 LYS H 1 38 LEU H . . 3.200 2.674 2.641 2.691 . 0 0 "[ . 1 . 2]" 1
661 1 37 LYS H 1 38 LEU MD2 . . 3.630 3.301 3.283 3.319 . 0 0 "[ . 1 . 2]" 1
662 1 37 LYS H 1 39 ILE H . . 4.400 4.057 4.008 4.090 . 0 0 "[ . 1 . 2]" 1
663 1 37 LYS H 1 39 ILE MG . . 4.400 3.875 3.809 3.942 . 0 0 "[ . 1 . 2]" 1
664 1 37 LYS HA 1 37 LYS QG . . 3.540 2.916 2.561 3.124 . 0 0 "[ . 1 . 2]" 1
665 1 37 LYS HA 1 38 LEU MD1 . . 4.240 4.291 4.282 4.305 0.065 19 0 "[ . 1 . 2]" 1
666 1 37 LYS HA 1 39 ILE H . . 4.860 4.835 4.789 4.865 0.005 13 0 "[ . 1 . 2]" 1
667 1 37 LYS HB2 1 38 LEU H . . 3.160 2.279 2.270 2.288 . 0 0 "[ . 1 . 2]" 1
668 1 37 LYS HB3 1 37 LYS QD . . 3.790 2.302 2.151 2.584 . 0 0 "[ . 1 . 2]" 1
669 1 37 LYS HB3 1 38 LEU H . . 4.380 3.536 3.462 3.608 . 0 0 "[ . 1 . 2]" 1
670 1 37 LYS HB3 1 38 LEU MD1 . . 5.060 3.087 2.991 3.177 . 0 0 "[ . 1 . 2]" 1
671 1 37 LYS QG 1 38 LEU H . . 4.670 3.707 3.612 3.815 . 0 0 "[ . 1 . 2]" 1
672 1 38 LEU H 1 38 LEU HB2 . . 2.890 2.650 2.637 2.657 . 0 0 "[ . 1 . 2]" 1
673 1 38 LEU H 1 38 LEU HB3 . . 3.670 3.583 3.582 3.584 . 0 0 "[ . 1 . 2]" 1
674 1 38 LEU H 1 38 LEU MD1 . . 3.740 2.226 2.218 2.240 . 0 0 "[ . 1 . 2]" 1
675 1 38 LEU H 1 38 LEU MD2 . . 3.390 1.878 1.869 1.902 . 0 0 "[ . 1 . 2]" 1
676 1 38 LEU H 1 38 LEU HG . . 3.040 3.720 3.711 3.731 0.691 19 20 [*******-**********+*] 1
677 1 38 LEU H 1 39 ILE H . . 3.250 2.710 2.706 2.715 . 0 0 "[ . 1 . 2]" 1
678 1 38 LEU H 1 39 ILE MG . . 4.870 4.095 4.039 4.147 . 0 0 "[ . 1 . 2]" 1
679 1 38 LEU H 1 40 GLU H . . 4.300 3.949 3.933 3.973 . 0 0 "[ . 1 . 2]" 1
680 1 38 LEU HA 1 38 LEU MD1 . . 4.190 1.979 1.967 1.988 . 0 0 "[ . 1 . 2]" 1
681 1 38 LEU HA 1 38 LEU MD2 . . 3.870 3.567 3.563 3.569 . 0 0 "[ . 1 . 2]" 1
682 1 38 LEU HA 1 38 LEU HG . . 4.040 3.647 3.635 3.655 . 0 0 "[ . 1 . 2]" 1
683 1 38 LEU HA 1 39 ILE HA . . 4.850 4.837 4.831 4.843 . 0 0 "[ . 1 . 2]" 1
684 1 38 LEU HA 1 41 ARG H . . 3.790 3.273 3.209 3.330 . 0 0 "[ . 1 . 2]" 1
685 1 38 LEU HA 1 41 ARG HB2 . . 4.090 2.858 2.771 2.957 . 0 0 "[ . 1 . 2]" 1
686 1 38 LEU HA 1 42 LEU H . . 4.180 3.919 3.642 4.200 0.020 4 0 "[ . 1 . 2]" 1
687 1 38 LEU HB2 1 39 ILE HB . . 4.960 4.086 4.056 4.131 . 0 0 "[ . 1 . 2]" 1
688 1 38 LEU HB3 1 39 ILE H . . 4.040 3.637 3.626 3.651 . 0 0 "[ . 1 . 2]" 1
689 1 38 LEU HB3 1 42 LEU HB2 . . 4.470 4.456 4.361 4.527 0.057 19 0 "[ . 1 . 2]" 1
690 1 38 LEU HB3 1 42 LEU MD1 . . 4.090 2.792 2.244 3.202 . 0 0 "[ . 1 . 2]" 1
691 1 38 LEU MD2 1 39 ILE H . . 3.480 3.101 3.078 3.136 . 0 0 "[ . 1 . 2]" 1
692 1 38 LEU MD2 1 39 ILE HB . . 4.880 4.588 4.552 4.645 . 0 0 "[ . 1 . 2]" 1
693 1 39 ILE H 1 39 ILE HB . . 2.790 2.311 2.288 2.336 . 0 0 "[ . 1 . 2]" 1
694 1 39 ILE H 1 39 ILE HG13 . . 4.430 4.234 4.200 4.272 . 0 0 "[ . 1 . 2]" 1
695 1 39 ILE H 1 39 ILE MG . . 3.260 2.479 2.424 2.530 . 0 0 "[ . 1 . 2]" 1
696 1 39 ILE H 1 40 GLU H . . 3.270 2.733 2.726 2.743 . 0 0 "[ . 1 . 2]" 1
697 1 39 ILE H 1 40 GLU QG . . 5.290 5.153 4.941 5.284 . 0 0 "[ . 1 . 2]" 1
698 1 39 ILE H 1 41 ARG H . . 4.580 4.326 4.125 4.477 . 0 0 "[ . 1 . 2]" 1
699 1 39 ILE H 1 42 LEU H . . 4.830 4.741 4.652 4.819 . 0 0 "[ . 1 . 2]" 1
700 1 39 ILE HA 1 39 ILE MD . . 3.790 3.770 3.755 3.792 0.002 16 0 "[ . 1 . 2]" 1
701 1 39 ILE HA 1 39 ILE HG12 . . 4.150 2.748 2.725 2.769 . 0 0 "[ . 1 . 2]" 1
702 1 39 ILE HA 1 39 ILE MG . . 3.460 3.182 3.176 3.188 . 0 0 "[ . 1 . 2]" 1
703 1 39 ILE HA 1 41 ARG H . . 5.040 4.465 4.082 4.761 . 0 0 "[ . 1 . 2]" 1
704 1 39 ILE HA 1 42 LEU H . . 4.420 3.584 3.283 3.856 . 0 0 "[ . 1 . 2]" 1
705 1 39 ILE HA 1 42 LEU HB2 . . 4.190 2.857 2.520 3.143 . 0 0 "[ . 1 . 2]" 1
706 1 39 ILE HA 1 42 LEU HB3 . . 4.820 4.463 4.073 4.773 . 0 0 "[ . 1 . 2]" 1
707 1 39 ILE HA 1 46 THR MG . . 4.300 2.645 2.400 2.948 . 0 0 "[ . 1 . 2]" 1
708 1 39 ILE HB 1 39 ILE MD . . 3.060 2.426 2.406 2.471 . 0 0 "[ . 1 . 2]" 1
709 1 39 ILE HB 1 46 THR HB . . 4.820 4.056 3.744 4.212 . 0 0 "[ . 1 . 2]" 1
710 1 39 ILE HB 1 46 THR MG . . 3.900 2.442 1.973 2.824 . 0 0 "[ . 1 . 2]" 1
711 1 39 ILE MD 1 39 ILE MG . . 2.710 1.950 1.887 2.009 . 0 0 "[ . 1 . 2]" 1
712 1 39 ILE HG12 1 39 ILE MG . . 3.450 2.437 2.411 2.475 . 0 0 "[ . 1 . 2]" 1
713 1 39 ILE HG13 1 39 ILE MG . . 3.320 3.199 3.192 3.201 . 0 0 "[ . 1 . 2]" 1
714 1 39 ILE HG13 1 46 THR HB . . 4.420 4.152 3.734 4.411 . 0 0 "[ . 1 . 2]" 1
715 1 39 ILE MG 1 40 GLU H . . 3.500 2.253 2.235 2.269 . 0 0 "[ . 1 . 2]" 1
716 1 39 ILE MG 1 40 GLU HA . . 3.820 3.058 3.041 3.093 . 0 0 "[ . 1 . 2]" 1
717 1 39 ILE MG 1 40 GLU HB2 . . 3.800 3.392 3.334 3.525 . 0 0 "[ . 1 . 2]" 1
718 1 39 ILE MG 1 40 GLU QG . . 4.030 2.662 2.487 2.767 . 0 0 "[ . 1 . 2]" 1
719 1 39 ILE MG 1 41 ARG H . . 4.420 4.327 4.217 4.414 . 0 0 "[ . 1 . 2]" 1
720 1 40 GLU H 1 40 GLU HA . . 2.930 2.873 2.870 2.876 . 0 0 "[ . 1 . 2]" 1
721 1 40 GLU H 1 40 GLU HB2 . . 2.870 2.149 2.124 2.208 . 0 0 "[ . 1 . 2]" 1
722 1 40 GLU H 1 40 GLU HB3 . . 3.590 3.438 3.395 3.506 . 0 0 "[ . 1 . 2]" 1
723 1 40 GLU H 1 40 GLU HG2 . . 4.180 3.495 3.116 4.133 . 0 0 "[ . 1 . 2]" 1
724 1 40 GLU H 1 40 GLU QG . . 3.410 3.102 2.899 3.218 . 0 0 "[ . 1 . 2]" 1
725 1 40 GLU H 1 40 GLU HG3 . . 4.180 3.758 2.967 4.123 . 0 0 "[ . 1 . 2]" 1
726 1 40 GLU H 1 41 ARG H . . 2.550 2.480 2.403 2.540 . 0 0 "[ . 1 . 2]" 1
727 1 40 GLU H 1 42 LEU H . . 4.060 3.845 3.572 4.001 . 0 0 "[ . 1 . 2]" 1
728 1 40 GLU HA 1 40 GLU HG2 . . 3.670 2.426 2.173 2.608 . 0 0 "[ . 1 . 2]" 1
729 1 40 GLU HA 1 40 GLU QG . . 3.150 2.365 2.124 2.552 . 0 0 "[ . 1 . 2]" 1
730 1 40 GLU HA 1 40 GLU HG3 . . 3.670 3.373 2.715 3.629 . 0 0 "[ . 1 . 2]" 1
731 1 40 GLU HA 1 42 LEU H . . 4.640 4.404 3.966 4.690 0.050 6 0 "[ . 1 . 2]" 1
732 1 40 GLU HB2 1 40 GLU QG . . 2.580 2.197 2.145 2.368 . 0 0 "[ . 1 . 2]" 1
733 1 40 GLU HB2 1 41 ARG H . . 3.260 2.931 2.717 3.213 . 0 0 "[ . 1 . 2]" 1
734 1 40 GLU HB2 1 41 ARG QG . . 4.310 3.546 3.429 3.655 . 0 0 "[ . 1 . 2]" 1
735 1 40 GLU HB2 1 42 LEU H . . 5.160 5.093 4.732 5.189 0.029 20 0 "[ . 1 . 2]" 1
736 1 40 GLU HB3 1 41 ARG H . . 3.760 3.253 3.019 3.530 . 0 0 "[ . 1 . 2]" 1
737 1 40 GLU HB3 1 43 ASP H . . 5.500 5.513 5.306 5.583 0.083 3 0 "[ . 1 . 2]" 1
738 1 41 ARG H 1 41 ARG HB2 . . 2.980 2.491 2.415 2.589 . 0 0 "[ . 1 . 2]" 1
739 1 41 ARG H 1 41 ARG HB3 . . 3.760 3.617 3.582 3.659 . 0 0 "[ . 1 . 2]" 1
740 1 41 ARG H 1 41 ARG HD2 . . 4.870 4.326 3.624 4.869 . 0 0 "[ . 1 . 2]" 1
741 1 41 ARG H 1 41 ARG QD . . 4.110 3.772 3.260 4.117 0.007 19 0 "[ . 1 . 2]" 1
742 1 41 ARG H 1 41 ARG HD3 . . 4.870 4.306 3.421 4.822 . 0 0 "[ . 1 . 2]" 1
743 1 41 ARG H 1 41 ARG HG2 . . 3.800 2.980 2.234 3.789 . 0 0 "[ . 1 . 2]" 1
744 1 41 ARG H 1 41 ARG QG . . 2.930 2.332 2.076 2.526 . 0 0 "[ . 1 . 2]" 1
745 1 41 ARG H 1 41 ARG HG3 . . 3.800 2.936 2.091 3.657 . 0 0 "[ . 1 . 2]" 1
746 1 41 ARG H 1 42 LEU H . . 3.040 2.454 2.180 2.673 . 0 0 "[ . 1 . 2]" 1
747 1 41 ARG HA 1 41 ARG HG2 . . 3.990 2.751 2.480 3.061 . 0 0 "[ . 1 . 2]" 1
748 1 41 ARG HA 1 41 ARG QG . . 3.260 2.621 2.414 2.935 . 0 0 "[ . 1 . 2]" 1
749 1 41 ARG HA 1 41 ARG HG3 . . 3.990 3.402 2.792 3.824 . 0 0 "[ . 1 . 2]" 1
750 1 41 ARG HA 1 43 ASP H . . 4.920 4.462 4.272 4.739 . 0 0 "[ . 1 . 2]" 1
751 1 41 ARG HB2 1 41 ARG QD . . 3.670 2.840 2.177 3.505 . 0 0 "[ . 1 . 2]" 1
752 1 41 ARG HB2 1 41 ARG QG . . 2.550 2.264 2.145 2.457 . 0 0 "[ . 1 . 2]" 1
753 1 41 ARG HB2 1 42 LEU H . . 3.170 2.830 2.488 3.205 0.035 16 0 "[ . 1 . 2]" 1
754 1 41 ARG HB2 1 43 ASP H . . 5.390 4.969 4.708 5.375 . 0 0 "[ . 1 . 2]" 1
755 1 41 ARG HB3 1 42 LEU H . . 4.090 3.822 3.501 4.096 0.006 16 0 "[ . 1 . 2]" 1
756 1 41 ARG QD 1 42 LEU H . . 5.290 4.893 4.287 5.210 . 0 0 "[ . 1 . 2]" 1
757 1 42 LEU H 1 42 LEU HB2 . . 2.890 2.425 2.323 2.510 . 0 0 "[ . 1 . 2]" 1
758 1 42 LEU H 1 42 LEU MD2 . . 4.340 3.592 3.291 3.780 . 0 0 "[ . 1 . 2]" 1
759 1 42 LEU H 1 42 LEU HG . . 3.490 2.683 2.271 2.996 . 0 0 "[ . 1 . 2]" 1
760 1 42 LEU H 1 43 ASP H . . 3.660 2.265 2.025 2.483 . 0 0 "[ . 1 . 2]" 1
761 1 42 LEU H 1 43 ASP HA . . 4.740 4.513 4.277 4.731 . 0 0 "[ . 1 . 2]" 1
762 1 42 LEU H 1 43 ASP QB . . 5.340 4.559 4.264 5.207 . 0 0 "[ . 1 . 2]" 1
763 1 42 LEU H 1 44 GLU QG . . 5.050 4.607 4.184 4.949 . 0 0 "[ . 1 . 2]" 1
764 1 42 LEU HA 1 42 LEU MD1 . . 4.570 3.847 3.819 3.923 . 0 0 "[ . 1 . 2]" 1
765 1 42 LEU HA 1 42 LEU MD2 . . 3.770 2.017 1.949 2.216 . 0 0 "[ . 1 . 2]" 1
766 1 42 LEU HA 1 43 ASP QB . . 4.410 4.111 4.033 4.373 . 0 0 "[ . 1 . 2]" 1
767 1 42 LEU HB2 1 42 LEU MD1 . . 3.660 2.334 2.249 2.401 . 0 0 "[ . 1 . 2]" 1
768 1 42 LEU HB2 1 43 ASP H . . 3.920 2.861 2.590 3.087 . 0 0 "[ . 1 . 2]" 1
769 1 42 LEU HB2 1 44 GLU H . . 3.320 2.905 2.613 3.316 . 0 0 "[ . 1 . 2]" 1
770 1 42 LEU HB2 1 44 GLU QG . . 4.460 2.729 2.232 3.212 . 0 0 "[ . 1 . 2]" 1
771 1 42 LEU HB2 1 46 THR MG . . 4.510 4.065 3.761 4.375 . 0 0 "[ . 1 . 2]" 1
772 1 42 LEU HB3 1 43 ASP H . . 3.880 3.792 3.569 3.906 0.026 15 0 "[ . 1 . 2]" 1
773 1 42 LEU HB3 1 44 GLU H . . 3.950 3.291 2.889 3.835 . 0 0 "[ . 1 . 2]" 1
774 1 42 LEU HB3 1 44 GLU QG . . 3.890 2.476 1.893 3.556 . 0 0 "[ . 1 . 2]" 1
775 1 42 LEU HB3 1 55 ILE MG . . 4.550 3.934 3.226 4.507 . 0 0 "[ . 1 . 2]" 1
776 1 42 LEU MD1 1 43 ASP H . . 4.940 4.738 4.367 4.958 0.018 8 0 "[ . 1 . 2]" 1
777 1 42 LEU MD1 1 44 GLU QG . . 3.740 3.104 2.600 3.479 . 0 0 "[ . 1 . 2]" 1
778 1 42 LEU MD1 1 46 THR MG . . 3.910 3.542 3.029 3.918 0.008 20 0 "[ . 1 . 2]" 1
779 1 42 LEU MD2 1 43 ASP H . . 4.660 4.673 4.604 4.720 0.060 6 0 "[ . 1 . 2]" 1
780 1 42 LEU MD2 1 44 GLU H . . 5.370 5.064 4.733 5.466 0.096 9 0 "[ . 1 . 2]" 1
781 1 42 LEU HG 1 43 ASP H . . 5.500 4.489 4.227 4.650 . 0 0 "[ . 1 . 2]" 1
782 1 42 LEU HG 1 44 GLU QG . . 5.150 4.645 4.195 5.156 0.006 8 0 "[ . 1 . 2]" 1
783 1 43 ASP H 1 43 ASP QB . . 3.430 3.000 2.868 3.416 . 0 0 "[ . 1 . 2]" 1
784 1 43 ASP H 1 44 GLU H . . 3.480 2.696 2.604 2.827 . 0 0 "[ . 1 . 2]" 1
785 1 43 ASP H 1 44 GLU QB . . 5.340 4.903 4.711 5.131 . 0 0 "[ . 1 . 2]" 1
786 1 43 ASP H 1 46 THR MG . . 5.500 5.186 4.702 5.529 0.029 3 0 "[ . 1 . 2]" 1
787 1 43 ASP HA 1 44 GLU H . . 3.340 2.889 2.666 3.038 . 0 0 "[ . 1 . 2]" 1
788 1 43 ASP QB 1 44 GLU HA . . 5.340 4.327 4.188 4.431 . 0 0 "[ . 1 . 2]" 1
789 1 43 ASP HB2 1 44 GLU H . . 4.590 4.435 3.944 4.602 0.012 19 0 "[ . 1 . 2]" 1
790 1 43 ASP HB3 1 44 GLU H . . 4.590 4.167 4.004 4.510 . 0 0 "[ . 1 . 2]" 1
791 1 44 GLU H 1 44 GLU QB . . 3.300 2.780 2.535 3.193 . 0 0 "[ . 1 . 2]" 1
792 1 44 GLU H 1 44 GLU HG2 . . 3.800 2.592 1.977 3.765 . 0 0 "[ . 1 . 2]" 1
793 1 44 GLU H 1 44 GLU QG . . 3.300 2.193 1.966 2.394 . 0 0 "[ . 1 . 2]" 1
794 1 44 GLU H 1 44 GLU HG3 . . 3.800 3.300 2.082 3.807 0.007 13 0 "[ . 1 . 2]" 1
795 1 44 GLU H 1 45 ASP H . . 4.590 4.414 4.383 4.474 . 0 0 "[ . 1 . 2]" 1
796 1 44 GLU H 1 46 THR MG . . 4.100 3.819 3.279 4.024 . 0 0 "[ . 1 . 2]" 1
797 1 44 GLU HA 1 44 GLU HG2 . . 4.060 3.642 3.102 4.217 0.157 9 0 "[ . 1 . 2]" 1
798 1 44 GLU HA 1 44 GLU QG . . 3.560 3.255 2.980 3.397 . 0 0 "[ . 1 . 2]" 1
799 1 44 GLU HA 1 44 GLU HG3 . . 4.060 3.788 3.552 3.880 . 0 0 "[ . 1 . 2]" 1
800 1 44 GLU HA 1 45 ASP H . . 2.840 2.666 2.593 2.724 . 0 0 "[ . 1 . 2]" 1
801 1 44 GLU HA 1 56 THR H . . 5.500 5.535 5.510 5.561 0.061 9 0 "[ . 1 . 2]" 1
802 1 44 GLU QB 1 45 ASP H . . 3.310 2.006 1.938 2.157 . 0 0 "[ . 1 . 2]" 1
803 1 44 GLU QB 1 55 ILE MG . . 3.890 2.781 2.276 3.164 . 0 0 "[ . 1 . 2]" 1
804 1 44 GLU QB 1 56 THR H . . 4.080 3.291 2.987 3.506 . 0 0 "[ . 1 . 2]" 1
805 1 44 GLU HB2 1 45 ASP H . . 3.880 2.270 1.948 2.958 . 0 0 "[ . 1 . 2]" 1
806 1 44 GLU HB3 1 45 ASP H . . 3.880 3.040 1.980 3.583 . 0 0 "[ . 1 . 2]" 1
807 1 44 GLU QG 1 55 ILE MD . . 4.480 4.320 3.930 4.530 0.050 16 0 "[ . 1 . 2]" 1
808 1 44 GLU QG 1 55 ILE MG . . 4.310 2.517 1.976 2.800 . 0 0 "[ . 1 . 2]" 1
809 1 44 GLU QG 1 56 THR H . . 5.340 4.083 3.293 4.846 . 0 0 "[ . 1 . 2]" 1
810 1 45 ASP H 1 45 ASP HA . . 2.940 2.913 2.837 2.940 0.000 5 0 "[ . 1 . 2]" 1
811 1 45 ASP H 1 45 ASP HB2 . . 3.360 2.242 2.106 2.337 . 0 0 "[ . 1 . 2]" 1
812 1 45 ASP H 1 45 ASP QB . . 2.880 2.199 2.079 2.275 . 0 0 "[ . 1 . 2]" 1
813 1 45 ASP H 1 45 ASP HB3 . . 3.360 3.192 3.092 3.286 . 0 0 "[ . 1 . 2]" 1
814 1 45 ASP H 1 46 THR H . . 4.380 4.272 4.114 4.461 0.081 10 0 "[ . 1 . 2]" 1
815 1 45 ASP H 1 46 THR MG . . 4.400 4.078 3.791 4.409 0.009 16 0 "[ . 1 . 2]" 1
816 1 45 ASP H 1 55 ILE MG . . 4.560 4.180 3.780 4.514 . 0 0 "[ . 1 . 2]" 1
817 1 45 ASP H 1 56 THR H . . 3.520 3.387 3.293 3.540 0.020 19 0 "[ . 1 . 2]" 1
818 1 45 ASP H 1 56 THR HB . . 4.370 4.017 3.853 4.123 . 0 0 "[ . 1 . 2]" 1
819 1 45 ASP H 1 56 THR MG . . 5.390 5.348 5.201 5.422 0.032 1 0 "[ . 1 . 2]" 1
820 1 45 ASP H 1 57 VAL HA . . 5.500 5.469 5.123 5.540 0.040 7 0 "[ . 1 . 2]" 1
821 1 45 ASP H 1 57 VAL QG . . 4.900 4.445 4.253 4.635 . 0 0 "[ . 1 . 2]" 1
822 1 45 ASP HA 1 46 THR H . . 2.650 2.161 2.138 2.195 . 0 0 "[ . 1 . 2]" 1
823 1 45 ASP QB 1 46 THR H . . 4.010 3.749 3.580 3.836 . 0 0 "[ . 1 . 2]" 1
824 1 45 ASP QB 1 56 THR H . . 3.680 3.632 3.380 3.714 0.034 20 0 "[ . 1 . 2]" 1
825 1 45 ASP QB 1 56 THR HB . . 3.640 3.395 3.137 3.576 . 0 0 "[ . 1 . 2]" 1
826 1 45 ASP QB 1 56 THR MG . . 4.860 4.535 4.295 4.724 . 0 0 "[ . 1 . 2]" 1
827 1 45 ASP HB2 1 46 THR H . . 4.800 4.611 4.535 4.653 . 0 0 "[ . 1 . 2]" 1
828 1 45 ASP HB2 1 56 THR H . . 4.220 4.150 4.053 4.232 0.012 10 0 "[ . 1 . 2]" 1
829 1 45 ASP HB2 1 56 THR HB . . 4.240 3.635 3.403 3.852 . 0 0 "[ . 1 . 2]" 1
830 1 45 ASP HB3 1 46 THR H . . 4.800 3.969 3.749 4.084 . 0 0 "[ . 1 . 2]" 1
831 1 45 ASP HB3 1 56 THR H . . 4.220 4.018 3.615 4.203 . 0 0 "[ . 1 . 2]" 1
832 1 45 ASP HB3 1 56 THR HB . . 4.240 4.082 3.675 4.247 0.007 13 0 "[ . 1 . 2]" 1
833 1 46 THR H 1 46 THR HB . . 3.840 3.763 3.700 3.823 . 0 0 "[ . 1 . 2]" 1
834 1 46 THR H 1 46 THR MG . . 3.490 2.589 2.437 2.864 . 0 0 "[ . 1 . 2]" 1
835 1 46 THR H 1 47 GLU H . . 4.610 4.497 4.432 4.532 . 0 0 "[ . 1 . 2]" 1
836 1 46 THR H 1 47 GLU QB . . 5.320 5.129 4.889 5.275 . 0 0 "[ . 1 . 2]" 1
837 1 46 THR H 1 47 GLU HG2 . . 5.500 5.435 5.209 5.500 . 0 0 "[ . 1 . 2]" 1
838 1 46 THR H 1 47 GLU HG3 . . 5.500 4.618 4.394 5.317 . 0 0 "[ . 1 . 2]" 1
839 1 46 THR H 1 55 ILE HA . . 5.500 5.475 5.287 5.539 0.039 6 0 "[ . 1 . 2]" 1
840 1 46 THR HA 1 46 THR MG . . 3.530 2.437 2.338 2.478 . 0 0 "[ . 1 . 2]" 1
841 1 46 THR HA 1 47 GLU H . . 2.880 2.242 2.216 2.328 . 0 0 "[ . 1 . 2]" 1
842 1 46 THR HA 1 53 LEU QD . . 4.410 2.763 2.282 3.970 . 0 0 "[ . 1 . 2]" 1
843 1 46 THR HA 1 55 ILE HA . . 3.870 3.570 3.452 3.667 . 0 0 "[ . 1 . 2]" 1
844 1 46 THR HA 1 55 ILE HG13 . . 4.820 4.647 4.445 4.761 . 0 0 "[ . 1 . 2]" 1
845 1 46 THR HA 1 56 THR H . . 4.940 4.885 4.709 4.978 0.038 19 0 "[ . 1 . 2]" 1
846 1 46 THR HB 1 47 GLU H . . 3.310 2.849 2.575 2.941 . 0 0 "[ . 1 . 2]" 1
847 1 46 THR HB 1 53 LEU QD . . 3.430 1.951 1.861 2.260 . 0 0 "[ . 1 . 2]" 1
848 1 46 THR HB 1 53 LEU HG . . 4.490 3.532 2.662 3.987 . 0 0 "[ . 1 . 2]" 1
849 1 46 THR HB 1 54 ILE H . . 5.220 4.658 4.485 4.849 . 0 0 "[ . 1 . 2]" 1
850 1 46 THR HB 1 55 ILE HG12 . . 4.630 4.170 3.755 4.436 . 0 0 "[ . 1 . 2]" 1
851 1 46 THR MG 1 47 GLU H . . 4.610 3.907 3.624 3.989 . 0 0 "[ . 1 . 2]" 1
852 1 46 THR MG 1 53 LEU QD . . 3.190 2.441 1.922 2.907 . 0 0 "[ . 1 . 2]" 1
853 1 46 THR MG 1 53 LEU HG . . 4.490 4.125 3.781 4.504 0.014 19 0 "[ . 1 . 2]" 1
854 1 46 THR MG 1 55 ILE HA . . 3.910 3.475 3.300 3.675 . 0 0 "[ . 1 . 2]" 1
855 1 46 THR MG 1 55 ILE MD . . 4.060 3.401 2.912 3.715 . 0 0 "[ . 1 . 2]" 1
856 1 46 THR MG 1 55 ILE HG12 . . 3.630 2.464 2.094 2.744 . 0 0 "[ . 1 . 2]" 1
857 1 46 THR MG 1 55 ILE MG . . 3.560 3.232 2.840 3.490 . 0 0 "[ . 1 . 2]" 1
858 1 46 THR MG 1 56 THR H . . 4.750 4.660 4.318 4.776 0.026 16 0 "[ . 1 . 2]" 1
859 1 47 GLU H 1 47 GLU HB2 . . 3.760 2.852 2.786 2.895 . 0 0 "[ . 1 . 2]" 1
860 1 47 GLU H 1 47 GLU QB . . 3.100 2.769 2.715 2.798 . 0 0 "[ . 1 . 2]" 1
861 1 47 GLU H 1 47 GLU HB3 . . 3.760 3.748 3.643 3.769 0.009 4 0 "[ . 1 . 2]" 1
862 1 47 GLU H 1 47 GLU HG2 . . 5.080 4.383 4.292 4.472 . 0 0 "[ . 1 . 2]" 1
863 1 47 GLU H 1 47 GLU QG . . 4.260 3.795 3.682 3.970 . 0 0 "[ . 1 . 2]" 1
864 1 47 GLU H 1 47 GLU HG3 . . 5.080 4.165 3.948 4.679 . 0 0 "[ . 1 . 2]" 1
865 1 47 GLU H 1 48 ARG H . . 4.350 4.261 4.237 4.355 0.005 17 0 "[ . 1 . 2]" 1
866 1 47 GLU H 1 48 ARG QG . . 5.080 4.806 4.576 5.222 0.142 16 0 "[ . 1 . 2]" 1
867 1 47 GLU H 1 53 LEU HA . . 3.840 3.755 3.640 3.877 0.037 10 0 "[ . 1 . 2]" 1
868 1 47 GLU H 1 53 LEU MD1 . . 3.960 2.221 1.868 3.952 . 0 0 "[ . 1 . 2]" 1
869 1 47 GLU H 1 53 LEU QD . . 3.370 2.107 1.777 3.386 0.016 17 0 "[ . 1 . 2]" 1
870 1 47 GLU H 1 53 LEU MD2 . . 3.960 2.878 2.083 3.969 0.009 1 0 "[ . 1 . 2]" 1
871 1 47 GLU H 1 54 ILE H . . 3.500 2.590 2.464 2.724 . 0 0 "[ . 1 . 2]" 1
872 1 47 GLU H 1 54 ILE HG12 . . 4.580 3.979 3.820 4.252 . 0 0 "[ . 1 . 2]" 1
873 1 47 GLU HA 1 47 GLU HG2 . . 3.840 2.141 2.054 2.223 . 0 0 "[ . 1 . 2]" 1
874 1 47 GLU HA 1 47 GLU HG3 . . 3.840 3.102 3.010 3.374 . 0 0 "[ . 1 . 2]" 1
875 1 47 GLU HA 1 48 ARG H . . 2.890 2.224 2.213 2.364 . 0 0 "[ . 1 . 2]" 1
876 1 47 GLU HA 1 48 ARG QG . . 3.770 3.672 3.346 3.777 0.007 18 0 "[ . 1 . 2]" 1
877 1 47 GLU QB 1 48 ARG H . . 3.380 2.996 2.606 3.128 . 0 0 "[ . 1 . 2]" 1
878 1 47 GLU QB 1 49 ASP H . . 5.320 5.048 4.650 5.259 . 0 0 "[ . 1 . 2]" 1
879 1 47 GLU QB 1 49 ASP HB2 . . 4.360 4.012 3.785 4.301 . 0 0 "[ . 1 . 2]" 1
880 1 47 GLU QG 1 48 ARG H . . 3.610 3.440 3.282 3.522 . 0 0 "[ . 1 . 2]" 1
881 1 48 ARG H 1 48 ARG QB . . 2.960 2.548 2.380 2.988 0.028 9 0 "[ . 1 . 2]" 1
882 1 48 ARG H 1 48 ARG HD2 . . 4.230 3.538 1.949 4.274 0.044 9 0 "[ . 1 . 2]" 1
883 1 48 ARG H 1 48 ARG HD3 . . 4.230 3.782 1.994 4.242 0.012 16 0 "[ . 1 . 2]" 1
884 1 48 ARG H 1 48 ARG QG . . 2.890 2.476 1.839 2.696 . 0 0 "[ . 1 . 2]" 1
885 1 48 ARG H 1 49 ASP H . . 4.590 4.498 4.337 4.562 . 0 0 "[ . 1 . 2]" 1
886 1 48 ARG H 1 53 LEU HA . . 5.180 5.053 4.960 5.153 . 0 0 "[ . 1 . 2]" 1
887 1 48 ARG H 1 53 LEU QD . . 3.990 3.473 3.137 3.981 . 0 0 "[ . 1 . 2]" 1
888 1 48 ARG HA 1 48 ARG HG2 . . 4.120 3.249 2.801 3.611 . 0 0 "[ . 1 . 2]" 1
889 1 48 ARG HA 1 48 ARG QG . . 3.570 2.574 2.420 3.290 . 0 0 "[ . 1 . 2]" 1
890 1 48 ARG HA 1 48 ARG HG3 . . 4.120 2.732 2.546 3.819 . 0 0 "[ . 1 . 2]" 1
891 1 48 ARG HA 1 49 ASP H . . 2.820 2.158 2.139 2.197 . 0 0 "[ . 1 . 2]" 1
892 1 48 ARG HA 1 53 LEU H . . 5.300 5.183 5.051 5.312 0.012 4 0 "[ . 1 . 2]" 1
893 1 48 ARG HA 1 54 ILE H . . 4.310 4.275 4.065 4.335 0.025 1 0 "[ . 1 . 2]" 1
894 1 48 ARG QB 1 48 ARG QD . . 3.250 2.198 1.939 2.408 . 0 0 "[ . 1 . 2]" 1
895 1 48 ARG QB 1 49 ASP H . . 3.380 3.155 2.954 3.389 0.009 16 0 "[ . 1 . 2]" 1
896 1 48 ARG QB 1 52 ASP H . . 5.340 4.961 4.458 5.244 . 0 0 "[ . 1 . 2]" 1
897 1 48 ARG HB2 1 49 ASP H . . 4.220 4.056 3.525 4.200 . 0 0 "[ . 1 . 2]" 1
898 1 48 ARG HB3 1 49 ASP H . . 4.220 3.336 3.031 4.146 . 0 0 "[ . 1 . 2]" 1
899 1 48 ARG QG 1 49 ASP H . . 4.830 4.260 4.000 4.499 . 0 0 "[ . 1 . 2]" 1
900 1 48 ARG QG 1 53 LEU QD . . 3.920 2.434 1.873 3.754 . 0 0 "[ . 1 . 2]" 1
901 1 49 ASP H 1 49 ASP HB2 . . 3.310 3.066 2.881 3.282 . 0 0 "[ . 1 . 2]" 1
902 1 49 ASP H 1 49 ASP HB3 . . 3.380 3.017 2.824 3.163 . 0 0 "[ . 1 . 2]" 1
903 1 49 ASP H 1 50 ASP H . . 5.030 3.959 3.740 4.120 . 0 0 "[ . 1 . 2]" 1
904 1 49 ASP H 1 50 ASP QB . . 5.120 4.921 4.815 5.051 . 0 0 "[ . 1 . 2]" 1
905 1 49 ASP H 1 51 GLY H . . 4.460 3.281 2.948 3.468 . 0 0 "[ . 1 . 2]" 1
906 1 49 ASP H 1 51 GLY HA2 . . 4.740 4.641 4.457 4.773 0.033 9 0 "[ . 1 . 2]" 1
907 1 49 ASP H 1 52 ASP H . . 3.590 3.104 2.620 3.489 . 0 0 "[ . 1 . 2]" 1
908 1 49 ASP H 1 52 ASP QB . . 4.000 3.894 3.486 4.145 0.145 8 0 "[ . 1 . 2]" 1
909 1 49 ASP H 1 53 LEU HA . . 3.790 3.607 3.360 3.796 0.006 2 0 "[ . 1 . 2]" 1
910 1 49 ASP H 1 53 LEU QD . . 4.190 3.796 3.305 4.139 . 0 0 "[ . 1 . 2]" 1
911 1 49 ASP H 1 54 ILE H . . 5.080 4.835 4.671 5.075 . 0 0 "[ . 1 . 2]" 1
912 1 49 ASP H 1 54 ILE MD . . 4.450 4.399 4.072 4.461 0.011 2 0 "[ . 1 . 2]" 1
913 1 49 ASP H 1 54 ILE HG12 . . 4.920 4.455 4.268 4.810 . 0 0 "[ . 1 . 2]" 1
914 1 49 ASP HA 1 50 ASP H . . 3.170 2.155 2.138 2.192 . 0 0 "[ . 1 . 2]" 1
915 1 49 ASP HA 1 50 ASP HA . . 4.430 4.372 4.361 4.396 . 0 0 "[ . 1 . 2]" 1
916 1 49 ASP HA 1 51 GLY H . . 3.780 3.697 3.589 3.796 0.016 17 0 "[ . 1 . 2]" 1
917 1 49 ASP HB2 1 50 ASP H . . 4.850 4.520 4.428 4.612 . 0 0 "[ . 1 . 2]" 1
918 1 49 ASP HB2 1 54 ILE H . . 5.500 5.054 4.520 5.552 0.052 9 0 "[ . 1 . 2]" 1
919 1 49 ASP HB2 1 54 ILE MD . . 3.870 3.615 2.872 3.877 0.007 9 0 "[ . 1 . 2]" 1
920 1 49 ASP HB3 1 50 ASP H . . 4.500 4.227 4.124 4.378 . 0 0 "[ . 1 . 2]" 1
921 1 49 ASP HB3 1 51 GLY H . . 4.970 4.952 4.784 4.989 0.019 11 0 "[ . 1 . 2]" 1
922 1 49 ASP HB3 1 52 ASP H . . 4.500 4.127 3.939 4.410 . 0 0 "[ . 1 . 2]" 1
923 1 49 ASP HB3 1 52 ASP QB . . 5.230 3.617 3.064 4.156 . 0 0 "[ . 1 . 2]" 1
924 1 49 ASP HB3 1 54 ILE H . . 5.500 5.403 5.107 5.557 0.057 9 0 "[ . 1 . 2]" 1
925 1 49 ASP HB3 1 54 ILE MD . . 3.840 3.065 2.646 3.237 . 0 0 "[ . 1 . 2]" 1
926 1 50 ASP H 1 50 ASP QB . . 3.680 3.340 3.187 3.438 . 0 0 "[ . 1 . 2]" 1
927 1 50 ASP H 1 51 GLY H . . 4.760 2.654 2.610 2.715 . 0 0 "[ . 1 . 2]" 1
928 1 50 ASP HA 1 51 GLY H . . 3.400 2.993 2.963 3.026 . 0 0 "[ . 1 . 2]" 1
929 1 50 ASP HA 1 52 ASP H . . 4.730 4.383 4.316 4.495 . 0 0 "[ . 1 . 2]" 1
930 1 50 ASP QB 1 51 GLY H . . 3.890 3.746 3.719 3.771 . 0 0 "[ . 1 . 2]" 1
931 1 50 ASP QB 1 51 GLY HA3 . . 4.590 4.381 4.304 4.421 . 0 0 "[ . 1 . 2]" 1
932 1 50 ASP QB 1 52 ASP H . . 3.890 3.290 3.149 3.525 . 0 0 "[ . 1 . 2]" 1
933 1 50 ASP HB2 1 51 GLY H . . 4.670 4.029 3.969 4.095 . 0 0 "[ . 1 . 2]" 1
934 1 50 ASP HB2 1 51 GLY HA3 . . 5.250 4.967 4.757 5.207 . 0 0 "[ . 1 . 2]" 1
935 1 50 ASP HB3 1 51 GLY H . . 4.670 4.462 4.304 4.564 . 0 0 "[ . 1 . 2]" 1
936 1 50 ASP HB3 1 51 GLY HA3 . . 5.250 4.910 4.589 5.161 . 0 0 "[ . 1 . 2]" 1
937 1 51 GLY H 1 52 ASP H . . 3.400 2.599 2.366 2.804 . 0 0 "[ . 1 . 2]" 1
938 1 52 ASP H 1 52 ASP HB2 . . 3.820 2.898 2.181 3.676 . 0 0 "[ . 1 . 2]" 1
939 1 52 ASP H 1 52 ASP QB . . 3.040 2.476 2.159 2.698 . 0 0 "[ . 1 . 2]" 1
940 1 52 ASP H 1 52 ASP HB3 . . 3.820 3.242 2.308 3.648 . 0 0 "[ . 1 . 2]" 1
941 1 52 ASP H 1 53 LEU H . . 4.700 4.556 4.505 4.597 . 0 0 "[ . 1 . 2]" 1
942 1 52 ASP H 1 54 ILE MD . . 5.200 5.183 4.955 5.231 0.031 19 0 "[ . 1 . 2]" 1
943 1 52 ASP HA 1 53 LEU H . . 3.080 2.452 2.273 2.482 . 0 0 "[ . 1 . 2]" 1
944 1 52 ASP QB 1 53 LEU H . . 3.190 2.489 2.248 2.771 . 0 0 "[ . 1 . 2]" 1
945 1 52 ASP QB 1 54 ILE MD . . 3.980 3.293 2.849 3.886 . 0 0 "[ . 1 . 2]" 1
946 1 52 ASP HB2 1 53 LEU H . . 3.850 3.224 2.729 3.802 . 0 0 "[ . 1 . 2]" 1
947 1 52 ASP HB3 1 53 LEU H . . 3.850 2.895 2.273 3.959 0.109 11 0 "[ . 1 . 2]" 1
948 1 53 LEU H 1 53 LEU HB2 . . 3.540 2.713 2.468 2.902 . 0 0 "[ . 1 . 2]" 1
949 1 53 LEU H 1 53 LEU HB3 . . 3.420 3.012 2.860 3.294 . 0 0 "[ . 1 . 2]" 1
950 1 53 LEU H 1 53 LEU QD . . 4.160 3.617 3.397 3.709 . 0 0 "[ . 1 . 2]" 1
951 1 53 LEU H 1 54 ILE H . . 4.500 4.354 4.283 4.445 . 0 0 "[ . 1 . 2]" 1
952 1 53 LEU H 1 54 ILE MD . . 4.130 3.890 3.727 4.132 0.002 17 0 "[ . 1 . 2]" 1
953 1 53 LEU HA 1 53 LEU MD1 . . 4.310 2.536 2.028 2.835 . 0 0 "[ . 1 . 2]" 1
954 1 53 LEU HA 1 53 LEU MD2 . . 4.310 2.335 1.966 3.792 . 0 0 "[ . 1 . 2]" 1
955 1 53 LEU HA 1 54 ILE H . . 3.080 2.166 2.145 2.207 . 0 0 "[ . 1 . 2]" 1
956 1 53 LEU HB2 1 54 ILE H . . 4.460 4.372 4.312 4.425 . 0 0 "[ . 1 . 2]" 1
957 1 53 LEU HB3 1 54 ILE H . . 4.000 3.782 3.434 3.993 . 0 0 "[ . 1 . 2]" 1
958 1 53 LEU QD 1 54 ILE H . . 3.780 2.319 1.981 3.579 . 0 0 "[ . 1 . 2]" 1
959 1 53 LEU QD 1 55 ILE HG13 . . 3.920 2.755 2.034 3.915 . 0 0 "[ . 1 . 2]" 1
960 1 53 LEU MD1 1 54 ILE H . . 4.590 2.394 1.991 3.953 . 0 0 "[ . 1 . 2]" 1
961 1 53 LEU MD2 1 54 ILE H . . 4.590 3.296 2.756 4.450 . 0 0 "[ . 1 . 2]" 1
962 1 54 ILE H 1 54 ILE HB . . 3.340 2.731 2.676 2.848 . 0 0 "[ . 1 . 2]" 1
963 1 54 ILE H 1 54 ILE MD . . 3.530 3.066 2.817 3.208 . 0 0 "[ . 1 . 2]" 1
964 1 54 ILE H 1 54 ILE HG12 . . 3.740 2.187 2.011 2.307 . 0 0 "[ . 1 . 2]" 1
965 1 54 ILE H 1 54 ILE HG13 . . 3.830 3.727 3.605 3.816 . 0 0 "[ . 1 . 2]" 1
966 1 54 ILE H 1 54 ILE MG . . 3.890 3.834 3.818 3.846 . 0 0 "[ . 1 . 2]" 1
967 1 54 ILE HA 1 54 ILE MD . . 3.750 2.087 1.997 2.233 . 0 0 "[ . 1 . 2]" 1
968 1 54 ILE HA 1 54 ILE MG . . 3.520 2.148 2.048 2.240 . 0 0 "[ . 1 . 2]" 1
969 1 54 ILE HA 1 55 ILE H . . 3.060 2.177 2.141 2.197 . 0 0 "[ . 1 . 2]" 1
970 1 54 ILE HA 1 55 ILE HA . . 4.520 4.414 4.395 4.424 . 0 0 "[ . 1 . 2]" 1
971 1 54 ILE HB 1 54 ILE MD . . 3.660 3.221 3.214 3.230 . 0 0 "[ . 1 . 2]" 1
972 1 54 ILE HB 1 55 ILE H . . 4.190 3.916 3.792 4.120 . 0 0 "[ . 1 . 2]" 1
973 1 54 ILE HB 1 56 THR H . . 5.500 5.376 5.269 5.517 0.017 3 0 "[ . 1 . 2]" 1
974 1 54 ILE MD 1 54 ILE MG . . 2.420 2.139 2.028 2.199 . 0 0 "[ . 1 . 2]" 1
975 1 54 ILE MG 1 55 ILE H . . 3.190 2.458 2.175 2.751 . 0 0 "[ . 1 . 2]" 1
976 1 54 ILE MG 1 56 THR HA . . 4.810 4.628 4.512 4.807 . 0 0 "[ . 1 . 2]" 1
977 1 55 ILE H 1 55 ILE HB . . 3.540 2.822 2.710 2.880 . 0 0 "[ . 1 . 2]" 1
978 1 55 ILE H 1 55 ILE MD . . 4.530 4.131 3.936 4.266 . 0 0 "[ . 1 . 2]" 1
979 1 55 ILE H 1 55 ILE HG12 . . 4.120 3.942 3.759 4.114 . 0 0 "[ . 1 . 2]" 1
980 1 55 ILE H 1 55 ILE HG13 . . 3.620 2.855 2.693 2.992 . 0 0 "[ . 1 . 2]" 1
981 1 55 ILE H 1 55 ILE MG . . 4.110 3.926 3.885 3.950 . 0 0 "[ . 1 . 2]" 1
982 1 55 ILE H 1 56 THR H . . 4.530 4.144 4.075 4.223 . 0 0 "[ . 1 . 2]" 1
983 1 55 ILE HA 1 55 ILE MD . . 4.020 3.855 3.806 3.879 . 0 0 "[ . 1 . 2]" 1
984 1 55 ILE HA 1 55 ILE HG12 . . 4.090 2.600 2.519 2.637 . 0 0 "[ . 1 . 2]" 1
985 1 55 ILE HA 1 55 ILE HG13 . . 3.460 3.106 2.994 3.237 . 0 0 "[ . 1 . 2]" 1
986 1 55 ILE HA 1 55 ILE MG . . 3.420 2.283 2.249 2.376 . 0 0 "[ . 1 . 2]" 1
987 1 55 ILE HA 1 56 THR H . . 2.940 2.140 2.138 2.142 . 0 0 "[ . 1 . 2]" 1
988 1 55 ILE HB 1 55 ILE MD . . 3.320 2.368 2.281 2.471 . 0 0 "[ . 1 . 2]" 1
989 1 55 ILE HB 1 56 THR H . . 4.520 4.241 4.163 4.310 . 0 0 "[ . 1 . 2]" 1
990 1 55 ILE HB 1 57 VAL QG . . 4.520 4.007 3.879 4.157 . 0 0 "[ . 1 . 2]" 1
991 1 55 ILE MD 1 55 ILE MG . . 2.420 2.011 1.901 2.129 . 0 0 "[ . 1 . 2]" 1
992 1 55 ILE HG12 1 55 ILE MG . . 3.390 2.363 2.293 2.418 . 0 0 "[ . 1 . 2]" 1
993 1 55 ILE MG 1 56 THR H . . 3.170 2.738 2.555 2.881 . 0 0 "[ . 1 . 2]" 1
994 1 55 ILE MG 1 57 VAL MG1 . . 3.690 2.392 2.284 2.539 . 0 0 "[ . 1 . 2]" 1
995 1 55 ILE MG 1 57 VAL QG . . 2.890 2.325 2.220 2.449 . 0 0 "[ . 1 . 2]" 1
996 1 55 ILE MG 1 57 VAL MG2 . . 3.690 3.206 2.912 3.676 . 0 0 "[ . 1 . 2]" 1
997 1 56 THR H 1 56 THR HB . . 3.450 2.799 2.747 2.883 . 0 0 "[ . 1 . 2]" 1
998 1 56 THR H 1 56 THR MG . . 4.090 3.884 3.865 3.895 . 0 0 "[ . 1 . 2]" 1
999 1 56 THR H 1 57 VAL H . . 4.390 4.311 4.294 4.358 . 0 0 "[ . 1 . 2]" 1
1000 1 56 THR HA 1 57 VAL H . . 3.100 2.142 2.141 2.144 . 0 0 "[ . 1 . 2]" 1
1001 1 56 THR HA 1 57 VAL QG . . 4.130 3.351 3.294 3.422 . 0 0 "[ . 1 . 2]" 1
1002 1 56 THR HB 1 57 VAL H . . 4.470 4.133 4.069 4.166 . 0 0 "[ . 1 . 2]" 1
1003 1 56 THR HB 1 58 PHE H . . 5.500 5.497 5.408 5.540 0.040 3 0 "[ . 1 . 2]" 1
1004 1 56 THR MG 1 57 VAL H . . 3.450 2.887 2.791 2.930 . 0 0 "[ . 1 . 2]" 1
1005 1 57 VAL H 1 57 VAL HB . . 3.970 3.784 3.755 3.800 . 0 0 "[ . 1 . 2]" 1
1006 1 57 VAL H 1 57 VAL MG1 . . 3.730 3.162 3.088 3.259 . 0 0 "[ . 1 . 2]" 1
1007 1 57 VAL H 1 57 VAL QG . . 3.230 1.983 1.952 2.052 . 0 0 "[ . 1 . 2]" 1
1008 1 57 VAL H 1 57 VAL MG2 . . 3.730 2.004 1.970 2.077 . 0 0 "[ . 1 . 2]" 1
1009 1 57 VAL H 1 58 PHE H . . 4.240 4.161 4.147 4.178 . 0 0 "[ . 1 . 2]" 1
1010 1 57 VAL H 1 58 PHE HA . . 4.820 4.799 4.792 4.807 . 0 0 "[ . 1 . 2]" 1
1011 1 57 VAL H 1 58 PHE HB3 . . 5.450 5.048 5.019 5.100 . 0 0 "[ . 1 . 2]" 1
1012 1 57 VAL H 1 58 PHE QD . . 5.150 4.786 4.627 4.852 . 0 0 "[ . 1 . 2]" 1
1013 1 57 VAL HA 1 58 PHE H . . 2.870 2.141 2.140 2.142 . 0 0 "[ . 1 . 2]" 1
1014 1 57 VAL HA 1 58 PHE HB3 . . 5.260 4.837 4.817 4.862 . 0 0 "[ . 1 . 2]" 1
1015 1 57 VAL HB 1 58 PHE H . . 4.320 3.521 3.492 3.536 . 0 0 "[ . 1 . 2]" 1
1016 1 57 VAL QG 1 58 PHE H . . 3.850 3.602 3.578 3.630 . 0 0 "[ . 1 . 2]" 1
1017 1 57 VAL MG1 1 58 PHE H . . 4.380 3.936 3.870 3.993 . 0 0 "[ . 1 . 2]" 1
1018 1 57 VAL MG2 1 58 PHE H . . 4.380 4.176 4.140 4.224 . 0 0 "[ . 1 . 2]" 1
1019 1 58 PHE H 1 58 PHE HB2 . . 3.750 3.700 3.687 3.707 . 0 0 "[ . 1 . 2]" 1
1020 1 58 PHE H 1 58 PHE HB3 . . 3.660 3.268 3.248 3.291 . 0 0 "[ . 1 . 2]" 1
1021 1 58 PHE H 1 58 PHE QD . . 3.640 3.036 2.996 3.048 . 0 0 "[ . 1 . 2]" 1
1022 1 58 PHE H 1 59 TYR H . . 4.470 4.465 4.461 4.467 . 0 0 "[ . 1 . 2]" 1
1023 1 58 PHE H 1 59 TYR QD . . 5.090 4.628 4.529 4.841 . 0 0 "[ . 1 . 2]" 1
1024 1 58 PHE HA 1 59 TYR H . . 3.140 2.244 2.241 2.247 . 0 0 "[ . 1 . 2]" 1
1025 1 58 PHE HB2 1 59 TYR H . . 3.840 2.878 2.872 2.889 . 0 0 "[ . 1 . 2]" 1
1026 1 58 PHE HB3 1 59 TYR H . . 3.950 3.844 3.820 3.860 . 0 0 "[ . 1 . 2]" 1
1027 1 58 PHE QD 1 59 TYR H . . 4.540 3.991 3.960 4.028 . 0 0 "[ . 1 . 2]" 1
1028 1 59 TYR H 1 59 TYR HB2 . . 4.070 2.948 2.861 2.982 . 0 0 "[ . 1 . 2]" 1
1029 1 59 TYR H 1 59 TYR HB3 . . 4.010 3.922 3.871 3.946 . 0 0 "[ . 1 . 2]" 1
1030 1 59 TYR H 1 59 TYR QD . . 4.250 2.752 2.646 2.929 . 0 0 "[ . 1 . 2]" 1
1031 1 59 TYR H 1 60 GLU H . . 4.370 4.309 4.277 4.353 . 0 0 "[ . 1 . 2]" 1
1032 1 59 TYR HA 1 59 TYR QD . . 3.860 3.095 3.029 3.119 . 0 0 "[ . 1 . 2]" 1
1033 1 59 TYR HA 1 60 GLU H . . 2.950 2.193 2.184 2.205 . 0 0 "[ . 1 . 2]" 1
1034 1 59 TYR HB2 1 60 GLU H . . 4.200 3.904 3.873 3.930 . 0 0 "[ . 1 . 2]" 1
1035 1 59 TYR HB2 1 63 TYR HB2 . . 4.130 3.779 3.577 3.905 . 0 0 "[ . 1 . 2]" 1
1036 1 59 TYR HB3 1 60 GLU H . . 4.030 3.087 3.037 3.125 . 0 0 "[ . 1 . 2]" 1
1037 1 59 TYR HB3 1 63 TYR HB2 . . 4.540 2.196 2.048 2.308 . 0 0 "[ . 1 . 2]" 1
1038 1 59 TYR HB3 1 64 PHE H . . 5.060 4.739 4.695 4.792 . 0 0 "[ . 1 . 2]" 1
1039 1 59 TYR QD 1 60 GLU H . . 4.620 4.426 4.356 4.465 . 0 0 "[ . 1 . 2]" 1
1040 1 59 TYR QD 1 63 TYR H . . 5.390 5.286 5.224 5.382 . 0 0 "[ . 1 . 2]" 1
1041 1 59 TYR QD 1 63 TYR HB2 . . 4.160 3.131 3.065 3.225 . 0 0 "[ . 1 . 2]" 1
1042 1 59 TYR QD 1 63 TYR HB3 . . 4.350 3.042 2.863 3.169 . 0 0 "[ . 1 . 2]" 1
1043 1 60 GLU H 1 60 GLU HB2 . . 3.790 3.663 3.654 3.674 . 0 0 "[ . 1 . 2]" 1
1044 1 60 GLU H 1 60 GLU HB3 . . 3.010 2.583 2.515 2.670 . 0 0 "[ . 1 . 2]" 1
1045 1 60 GLU H 1 60 GLU HG2 . . 3.160 2.441 2.298 2.572 . 0 0 "[ . 1 . 2]" 1
1046 1 60 GLU H 1 63 TYR H . . 4.810 3.505 3.431 3.550 . 0 0 "[ . 1 . 2]" 1
1047 1 60 GLU H 1 63 TYR HB2 . . 3.970 3.449 3.194 3.542 . 0 0 "[ . 1 . 2]" 1
1048 1 60 GLU H 1 63 TYR HB3 . . 5.160 4.711 4.486 4.846 . 0 0 "[ . 1 . 2]" 1
1049 1 60 GLU HA 1 60 GLU HG2 . . 3.810 3.594 3.585 3.602 . 0 0 "[ . 1 . 2]" 1
1050 1 60 GLU HA 1 60 GLU HG3 . . 3.920 3.879 3.817 3.955 0.035 5 0 "[ . 1 . 2]" 1
1051 1 60 GLU HA 1 61 ARG H . . 2.970 2.632 2.613 2.644 . 0 0 "[ . 1 . 2]" 1
1052 1 60 GLU HA 1 61 ARG QB . . 5.250 4.712 4.536 4.850 . 0 0 "[ . 1 . 2]" 1
1053 1 60 GLU HA 1 62 GLU H . . 4.580 4.405 4.318 4.547 . 0 0 "[ . 1 . 2]" 1
1054 1 60 GLU HA 1 65 PRO HA . . 4.140 4.092 4.051 4.136 . 0 0 "[ . 1 . 2]" 1
1055 1 60 GLU HA 1 65 PRO HB3 . . 3.850 2.661 2.644 2.680 . 0 0 "[ . 1 . 2]" 1
1056 1 60 GLU HB2 1 61 ARG H . . 3.410 2.189 2.126 2.248 . 0 0 "[ . 1 . 2]" 1
1057 1 60 GLU HB2 1 62 GLU H . . 4.410 3.601 3.401 3.780 . 0 0 "[ . 1 . 2]" 1
1058 1 60 GLU HB2 1 65 PRO HB3 . . 4.660 4.845 4.797 4.904 0.244 20 0 "[ . 1 . 2]" 1
1059 1 60 GLU HB3 1 65 PRO HB3 . . 5.030 5.146 5.105 5.199 0.169 11 0 "[ . 1 . 2]" 1
1060 1 60 GLU HG2 1 61 ARG QB . . 5.020 4.750 4.495 4.944 . 0 0 "[ . 1 . 2]" 1
1061 1 60 GLU HG2 1 62 GLU H . . 4.030 2.211 2.113 2.328 . 0 0 "[ . 1 . 2]" 1
1062 1 60 GLU HG2 1 62 GLU HA . . 4.580 4.372 4.306 4.458 . 0 0 "[ . 1 . 2]" 1
1063 1 60 GLU HG3 1 61 ARG H . . 3.160 2.748 2.541 3.008 . 0 0 "[ . 1 . 2]" 1
1064 1 60 GLU HG3 1 61 ARG HB2 . . 4.590 4.215 3.581 4.710 0.120 1 0 "[ . 1 . 2]" 1
1065 1 60 GLU HG3 1 61 ARG QB . . 3.890 3.815 3.465 4.073 0.183 12 0 "[ . 1 . 2]" 1
1066 1 60 GLU HG3 1 61 ARG HB3 . . 4.590 4.498 4.361 4.617 0.027 7 0 "[ . 1 . 2]" 1
1067 1 60 GLU HG3 1 62 GLU H . . 4.020 1.913 1.879 1.948 . 0 0 "[ . 1 . 2]" 1
1068 1 60 GLU HG3 1 62 GLU QB . . 3.990 2.896 2.669 3.110 . 0 0 "[ . 1 . 2]" 1
1069 1 60 GLU HG3 1 63 TYR H . . 4.510 4.051 3.957 4.103 . 0 0 "[ . 1 . 2]" 1
1070 1 61 ARG H 1 61 ARG HB2 . . 3.600 2.946 2.102 3.602 0.002 15 0 "[ . 1 . 2]" 1
1071 1 61 ARG H 1 61 ARG QB . . 3.030 2.370 2.083 2.612 . 0 0 "[ . 1 . 2]" 1
1072 1 61 ARG H 1 61 ARG HB3 . . 3.600 2.999 2.545 3.498 . 0 0 "[ . 1 . 2]" 1
1073 1 61 ARG H 1 61 ARG HD2 . . 5.500 4.163 2.375 5.183 . 0 0 "[ . 1 . 2]" 1
1074 1 61 ARG H 1 61 ARG QD . . 4.780 3.668 2.323 4.532 . 0 0 "[ . 1 . 2]" 1
1075 1 61 ARG H 1 61 ARG HD3 . . 5.500 4.191 2.847 5.001 . 0 0 "[ . 1 . 2]" 1
1076 1 61 ARG H 1 61 ARG HG2 . . 4.220 2.827 1.946 4.235 0.015 8 0 "[ . 1 . 2]" 1
1077 1 61 ARG H 1 61 ARG QG . . 3.440 2.525 1.926 3.457 0.017 10 0 "[ . 1 . 2]" 1
1078 1 61 ARG H 1 61 ARG HG3 . . 4.220 3.456 3.042 4.118 . 0 0 "[ . 1 . 2]" 1
1079 1 61 ARG H 1 62 GLU H . . 2.970 2.869 2.833 2.897 . 0 0 "[ . 1 . 2]" 1
1080 1 61 ARG H 1 62 GLU HA . . 5.500 5.413 5.381 5.443 . 0 0 "[ . 1 . 2]" 1
1081 1 61 ARG H 1 63 TYR H . . 4.740 4.409 4.281 4.426 . 0 0 "[ . 1 . 2]" 1
1082 1 61 ARG HA 1 61 ARG HD2 . . 5.430 4.364 3.059 5.443 0.013 14 0 "[ . 1 . 2]" 1
1083 1 61 ARG HA 1 61 ARG QD . . 4.690 3.738 2.033 4.520 . 0 0 "[ . 1 . 2]" 1
1084 1 61 ARG HA 1 61 ARG HD3 . . 5.430 4.269 2.061 5.443 0.013 3 0 "[ . 1 . 2]" 1
1085 1 61 ARG HA 1 61 ARG HG2 . . 3.990 3.234 2.135 3.676 . 0 0 "[ . 1 . 2]" 1
1086 1 61 ARG HA 1 61 ARG HG3 . . 3.990 3.404 2.137 4.005 0.015 15 0 "[ . 1 . 2]" 1
1087 1 61 ARG QB 1 61 ARG QD . . 3.300 2.183 2.063 2.383 . 0 0 "[ . 1 . 2]" 1
1088 1 61 ARG QB 1 62 GLU H . . 3.570 3.131 2.813 3.419 . 0 0 "[ . 1 . 2]" 1
1089 1 61 ARG QB 1 64 PHE H . . 4.790 4.332 4.289 4.408 . 0 0 "[ . 1 . 2]" 1
1090 1 61 ARG HB2 1 62 GLU H . . 4.260 3.391 3.028 3.711 . 0 0 "[ . 1 . 2]" 1
1091 1 61 ARG HB3 1 62 GLU H . . 4.260 3.692 3.169 4.068 . 0 0 "[ . 1 . 2]" 1
1092 1 61 ARG HD2 1 62 GLU H . . 5.500 4.924 4.375 5.504 0.004 16 0 "[ . 1 . 2]" 1
1093 1 61 ARG HD3 1 62 GLU H . . 5.500 5.025 4.564 5.510 0.010 4 0 "[ . 1 . 2]" 1
1094 1 62 GLU H 1 62 GLU HB2 . . 3.690 2.406 2.336 2.499 . 0 0 "[ . 1 . 2]" 1
1095 1 62 GLU H 1 62 GLU QB . . 3.090 2.370 2.307 2.455 . 0 0 "[ . 1 . 2]" 1
1096 1 62 GLU H 1 62 GLU HB3 . . 3.690 3.579 3.564 3.590 . 0 0 "[ . 1 . 2]" 1
1097 1 62 GLU H 1 62 GLU QG . . 3.280 2.351 2.156 2.494 . 0 0 "[ . 1 . 2]" 1
1098 1 62 GLU H 1 63 TYR H . . 3.770 2.795 2.747 2.817 . 0 0 "[ . 1 . 2]" 1
1099 1 62 GLU H 1 63 TYR HB2 . . 5.240 4.949 4.898 4.979 . 0 0 "[ . 1 . 2]" 1
1100 1 62 GLU H 1 63 TYR QD . . 5.500 5.244 5.032 5.395 . 0 0 "[ . 1 . 2]" 1
1101 1 62 GLU H 1 64 PHE H . . 4.340 3.815 3.789 3.899 . 0 0 "[ . 1 . 2]" 1
1102 1 62 GLU HA 1 62 GLU HG2 . . 3.850 2.815 2.401 3.049 . 0 0 "[ . 1 . 2]" 1
1103 1 62 GLU HA 1 62 GLU QG . . 3.360 2.715 2.298 2.907 . 0 0 "[ . 1 . 2]" 1
1104 1 62 GLU HA 1 62 GLU HG3 . . 3.850 3.610 2.746 3.750 . 0 0 "[ . 1 . 2]" 1
1105 1 62 GLU HA 1 63 TYR HB2 . . 5.470 5.429 5.395 5.460 . 0 0 "[ . 1 . 2]" 1
1106 1 62 GLU HA 1 64 PHE H . . 4.260 4.156 4.111 4.182 . 0 0 "[ . 1 . 2]" 1
1107 1 62 GLU QB 1 63 TYR H . . 3.060 2.677 2.645 2.769 . 0 0 "[ . 1 . 2]" 1
1108 1 62 GLU QB 1 64 PHE H . . 4.660 4.409 4.388 4.485 . 0 0 "[ . 1 . 2]" 1
1109 1 62 GLU HB2 1 63 TYR H . . 3.750 2.766 2.719 2.870 . 0 0 "[ . 1 . 2]" 1
1110 1 62 GLU HB3 1 63 TYR H . . 3.750 3.580 3.470 3.716 . 0 0 "[ . 1 . 2]" 1
1111 1 63 TYR H 1 63 TYR HB2 . . 3.330 2.418 2.381 2.435 . 0 0 "[ . 1 . 2]" 1
1112 1 63 TYR H 1 63 TYR HB3 . . 3.590 3.480 3.431 3.517 . 0 0 "[ . 1 . 2]" 1
1113 1 63 TYR H 1 63 TYR QD . . 3.850 3.484 3.325 3.636 . 0 0 "[ . 1 . 2]" 1
1114 1 63 TYR H 1 64 PHE H . . 3.210 2.218 2.187 2.272 . 0 0 "[ . 1 . 2]" 1
1115 1 63 TYR HA 1 63 TYR QD . . 3.870 2.937 2.624 3.018 . 0 0 "[ . 1 . 2]" 1
1116 1 63 TYR HB2 1 64 PHE H . . 4.160 3.964 3.943 3.993 . 0 0 "[ . 1 . 2]" 1
1117 1 63 TYR HB3 1 64 PHE H . . 4.320 4.112 4.081 4.155 . 0 0 "[ . 1 . 2]" 1
1118 1 64 PHE H 1 64 PHE HB2 . . 3.250 3.169 3.109 3.372 0.122 11 0 "[ . 1 . 2]" 1
1119 1 64 PHE H 1 64 PHE QD . . 3.750 3.397 3.003 3.675 . 0 0 "[ . 1 . 2]" 1
1120 1 69 GLU HA 1 69 GLU HG2 . . 4.170 3.589 2.503 4.178 0.008 16 0 "[ . 1 . 2]" 1
1121 1 69 GLU HA 1 69 GLU QG . . 3.530 3.065 2.404 3.456 . 0 0 "[ . 1 . 2]" 1
1122 1 69 GLU HA 1 69 GLU HG3 . . 4.170 3.478 2.579 4.240 0.070 15 0 "[ . 1 . 2]" 1
1123 1 69 GLU HA 1 71 SER H . . 4.400 3.646 3.546 3.857 . 0 0 "[ . 1 . 2]" 1
1124 1 69 GLU HA 1 77 ASP HA . . 4.980 4.737 4.560 5.021 0.041 12 0 "[ . 1 . 2]" 1
1125 1 69 GLU QB 1 69 GLU QG . . 2.350 2.035 1.995 2.086 . 0 0 "[ . 1 . 2]" 1
1126 1 69 GLU QB 1 77 ASP QB . . 3.630 2.842 2.394 3.621 . 0 0 "[ . 1 . 2]" 1
1127 1 69 GLU QG 1 70 GLU H . . 4.250 2.968 2.181 4.298 0.048 14 0 "[ . 1 . 2]" 1
1128 1 70 GLU H 1 70 GLU QB . . 3.220 2.284 2.191 2.518 . 0 0 "[ . 1 . 2]" 1
1129 1 70 GLU H 1 70 GLU QG . . 4.610 3.220 2.380 4.062 . 0 0 "[ . 1 . 2]" 1
1130 1 70 GLU H 1 71 SER H . . 4.510 2.653 2.495 2.715 . 0 0 "[ . 1 . 2]" 1
1131 1 70 GLU H 1 77 ASP QB . . 5.340 5.034 4.934 5.261 . 0 0 "[ . 1 . 2]" 1
1132 1 70 GLU HA 1 70 GLU QG . . 3.080 2.543 2.221 3.419 0.339 1 0 "[ . 1 . 2]" 1
1133 1 70 GLU QB 1 71 SER H . . 4.130 2.999 2.914 3.601 . 0 0 "[ . 1 . 2]" 1
1134 1 70 GLU QG 1 71 SER H . . 4.490 4.031 2.203 4.482 . 0 0 "[ . 1 . 2]" 1
1135 1 71 SER H 1 71 SER HB2 . . 3.940 2.708 2.279 3.623 . 0 0 "[ . 1 . 2]" 1
1136 1 71 SER H 1 71 SER HB3 . . 3.940 2.773 2.188 3.622 . 0 0 "[ . 1 . 2]" 1
1137 1 72 LYS HA 1 72 LYS QD . . 4.420 3.945 3.438 4.047 . 0 0 "[ . 1 . 2]" 1
1138 1 72 LYS HA 1 72 LYS QE . . 3.840 3.846 3.698 3.886 0.046 17 0 "[ . 1 . 2]" 1
1139 1 72 LYS HA 1 72 LYS HG2 . . 4.030 2.538 2.023 3.022 . 0 0 "[ . 1 . 2]" 1
1140 1 72 LYS HA 1 72 LYS HG3 . . 4.030 2.631 2.177 3.249 . 0 0 "[ . 1 . 2]" 1
1141 1 72 LYS HA 1 73 VAL QG . . 3.710 3.419 3.263 3.670 . 0 0 "[ . 1 . 2]" 1
1142 1 72 LYS QB 1 72 LYS QD . . 3.290 2.083 1.953 2.165 . 0 0 "[ . 1 . 2]" 1
1143 1 72 LYS QB 1 72 LYS QE . . 4.180 2.939 2.501 3.580 . 0 0 "[ . 1 . 2]" 1
1144 1 72 LYS QB 1 73 VAL H . . 3.760 2.948 2.651 3.084 . 0 0 "[ . 1 . 2]" 1
1145 1 72 LYS QB 1 74 LYS H . . 4.770 2.884 2.497 3.116 . 0 0 "[ . 1 . 2]" 1
1146 1 72 LYS QB 1 76 ALA MB . . 3.840 3.756 3.365 3.878 0.038 7 0 "[ . 1 . 2]" 1
1147 1 72 LYS HB2 1 73 VAL H . . 4.450 3.516 3.049 3.908 . 0 0 "[ . 1 . 2]" 1
1148 1 72 LYS HB3 1 73 VAL H . . 4.450 3.227 2.893 3.822 . 0 0 "[ . 1 . 2]" 1
1149 1 72 LYS QD 1 76 ALA H . . 4.920 4.412 4.070 4.730 . 0 0 "[ . 1 . 2]" 1
1150 1 72 LYS QD 1 76 ALA HA . . 4.530 4.548 4.328 4.654 0.124 16 0 "[ . 1 . 2]" 1
1151 1 72 LYS QD 1 76 ALA MB . . 3.700 2.454 2.148 2.729 . 0 0 "[ . 1 . 2]" 1
1152 1 72 LYS QD 1 79 ILE MG . . 4.940 4.775 4.676 4.847 . 0 0 "[ . 1 . 2]" 1
1153 1 72 LYS QD 1 80 ALA H . . 4.800 4.837 4.639 4.877 0.077 15 0 "[ . 1 . 2]" 1
1154 1 72 LYS QD 1 80 ALA MB . . 3.380 3.228 3.014 3.354 . 0 0 "[ . 1 . 2]" 1
1155 1 72 LYS QE 1 72 LYS QG . . 3.320 2.006 1.928 2.157 . 0 0 "[ . 1 . 2]" 1
1156 1 72 LYS QE 1 77 ASP HA . . 4.760 3.657 2.313 4.435 . 0 0 "[ . 1 . 2]" 1
1157 1 72 LYS HE2 1 80 ALA MB . . 5.500 4.416 3.607 5.236 . 0 0 "[ . 1 . 2]" 1
1158 1 72 LYS HE3 1 80 ALA MB . . 5.500 4.107 2.677 5.510 0.010 1 0 "[ . 1 . 2]" 1
1159 1 73 VAL H 1 73 VAL HB . . 4.100 3.712 2.944 3.777 . 0 0 "[ . 1 . 2]" 1
1160 1 73 VAL H 1 73 VAL MG1 . . 3.990 3.907 3.268 3.972 . 0 0 "[ . 1 . 2]" 1
1161 1 73 VAL H 1 73 VAL QG . . 3.460 2.615 2.514 3.110 . 0 0 "[ . 1 . 2]" 1
1162 1 73 VAL H 1 73 VAL MG2 . . 3.990 2.689 2.543 3.897 . 0 0 "[ . 1 . 2]" 1
1163 1 73 VAL H 1 74 LYS H . . 3.810 2.651 2.524 2.911 . 0 0 "[ . 1 . 2]" 1
1164 1 73 VAL H 1 74 LYS HA . . 5.500 5.257 5.131 5.478 . 0 0 "[ . 1 . 2]" 1
1165 1 73 VAL HA 1 73 VAL MG1 . . 3.490 2.208 2.117 3.200 . 0 0 "[ . 1 . 2]" 1
1166 1 73 VAL HA 1 73 VAL QG . . 2.990 2.034 2.006 2.154 . 0 0 "[ . 1 . 2]" 1
1167 1 73 VAL HA 1 73 VAL MG2 . . 3.490 2.456 2.189 2.516 . 0 0 "[ . 1 . 2]" 1
1168 1 73 VAL HA 1 74 LYS QG . . 5.300 4.846 4.451 5.148 . 0 0 "[ . 1 . 2]" 1
1169 1 73 VAL HB 1 74 LYS H . . 4.800 4.217 3.963 4.601 . 0 0 "[ . 1 . 2]" 1
1170 1 73 VAL QG 1 74 LYS H . . 3.750 3.710 3.427 3.755 0.005 9 0 "[ . 1 . 2]" 1
1171 1 73 VAL QG 1 74 LYS HA . . 4.450 4.176 3.700 4.266 . 0 0 "[ . 1 . 2]" 1
1172 1 73 VAL QG 1 74 LYS QG . . 4.150 3.721 2.483 4.012 . 0 0 "[ . 1 . 2]" 1
1173 1 74 LYS H 1 74 LYS HB2 . . 3.860 3.167 2.844 3.914 0.054 5 0 "[ . 1 . 2]" 1
1174 1 74 LYS H 1 74 LYS QB . . 3.380 2.975 2.765 3.356 . 0 0 "[ . 1 . 2]" 1
1175 1 74 LYS H 1 74 LYS HB3 . . 3.860 3.730 3.600 3.823 . 0 0 "[ . 1 . 2]" 1
1176 1 74 LYS H 1 74 LYS HG2 . . 4.770 4.282 2.599 4.677 . 0 0 "[ . 1 . 2]" 1
1177 1 74 LYS H 1 74 LYS HG3 . . 4.770 4.197 2.648 4.719 . 0 0 "[ . 1 . 2]" 1
1178 1 74 LYS H 1 75 MET H . . 4.530 4.319 4.253 4.383 . 0 0 "[ . 1 . 2]" 1
1179 1 74 LYS H 1 75 MET HA . . 5.110 4.791 4.743 4.879 . 0 0 "[ . 1 . 2]" 1
1180 1 74 LYS H 1 76 ALA MB . . 5.320 4.972 4.699 5.178 . 0 0 "[ . 1 . 2]" 1
1181 1 74 LYS HA 1 74 LYS HG2 . . 3.870 2.375 2.060 3.792 . 0 0 "[ . 1 . 2]" 1
1182 1 74 LYS HA 1 74 LYS HG3 . . 3.870 3.116 2.798 3.817 . 0 0 "[ . 1 . 2]" 1
1183 1 74 LYS QB 1 74 LYS QD . . 3.410 2.124 2.025 2.287 . 0 0 "[ . 1 . 2]" 1
1184 1 74 LYS QB 1 75 MET H . . 4.000 2.654 2.213 3.007 . 0 0 "[ . 1 . 2]" 1
1185 1 74 LYS QB 1 76 ALA MB . . 3.910 2.699 2.497 3.071 . 0 0 "[ . 1 . 2]" 1
1186 1 74 LYS QD 1 75 MET H . . 5.500 3.717 3.125 4.467 . 0 0 "[ . 1 . 2]" 1
1187 1 74 LYS QD 1 76 ALA MB . . 3.730 2.980 1.747 3.619 . 0 0 "[ . 1 . 2]" 1
1188 1 75 MET H 1 75 MET HB2 . . 4.080 2.918 2.287 3.596 . 0 0 "[ . 1 . 2]" 1
1189 1 75 MET H 1 75 MET HB3 . . 4.080 3.032 2.259 3.597 . 0 0 "[ . 1 . 2]" 1
1190 1 75 MET H 1 75 MET HG2 . . 4.870 3.049 2.019 4.530 . 0 0 "[ . 1 . 2]" 1
1191 1 75 MET H 1 75 MET HG3 . . 4.870 3.189 1.950 4.322 . 0 0 "[ . 1 . 2]" 1
1192 1 75 MET H 1 76 ALA H . . 4.760 2.629 2.515 2.783 . 0 0 "[ . 1 . 2]" 1
1193 1 75 MET H 1 76 ALA HA . . 5.430 5.168 5.033 5.332 . 0 0 "[ . 1 . 2]" 1
1194 1 75 MET H 1 76 ALA MB . . 4.640 4.273 4.134 4.416 . 0 0 "[ . 1 . 2]" 1
1195 1 75 MET H 1 77 ASP H . . 4.910 4.378 4.300 4.465 . 0 0 "[ . 1 . 2]" 1
1196 1 75 MET HA 1 77 ASP H . . 3.760 3.678 3.628 3.764 0.004 12 0 "[ . 1 . 2]" 1
1197 1 75 MET HA 1 78 PHE H . . 3.910 3.269 3.146 3.333 . 0 0 "[ . 1 . 2]" 1
1198 1 75 MET HA 1 79 ILE H . . 4.840 4.763 4.458 4.854 0.014 19 0 "[ . 1 . 2]" 1
1199 1 75 MET QB 1 76 ALA H . . 4.190 3.165 2.780 3.614 . 0 0 "[ . 1 . 2]" 1
1200 1 75 MET QG 1 76 ALA H . . 4.310 3.467 2.175 4.304 . 0 0 "[ . 1 . 2]" 1
1201 1 76 ALA H 1 76 ALA MB . . 3.070 2.178 2.079 2.236 . 0 0 "[ . 1 . 2]" 1
1202 1 76 ALA H 1 77 ASP H . . 4.040 2.780 2.751 2.831 . 0 0 "[ . 1 . 2]" 1
1203 1 76 ALA H 1 78 PHE H . . 4.640 4.402 4.323 4.475 . 0 0 "[ . 1 . 2]" 1
1204 1 76 ALA H 1 79 ILE H . . 5.180 5.141 5.031 5.174 . 0 0 "[ . 1 . 2]" 1
1205 1 76 ALA H 1 79 ILE MG . . 4.860 3.938 3.800 3.988 . 0 0 "[ . 1 . 2]" 1
1206 1 76 ALA HA 1 77 ASP HA . . 5.430 4.802 4.787 4.810 . 0 0 "[ . 1 . 2]" 1
1207 1 76 ALA HA 1 79 ILE H . . 3.810 3.540 3.471 3.681 . 0 0 "[ . 1 . 2]" 1
1208 1 76 ALA HA 1 79 ILE HB . . 4.620 4.324 4.289 4.353 . 0 0 "[ . 1 . 2]" 1
1209 1 76 ALA HA 1 79 ILE MD . . 3.720 3.860 3.826 3.881 0.161 14 0 "[ . 1 . 2]" 1
1210 1 76 ALA HA 1 80 ALA H . . 3.810 3.809 3.766 3.868 0.058 3 0 "[ . 1 . 2]" 1
1211 1 76 ALA MB 1 77 ASP H . . 3.290 2.797 2.755 2.871 . 0 0 "[ . 1 . 2]" 1
1212 1 76 ALA MB 1 77 ASP HA . . 4.260 3.841 3.772 3.884 . 0 0 "[ . 1 . 2]" 1
1213 1 76 ALA MB 1 77 ASP QB . . 5.300 4.004 3.966 4.076 . 0 0 "[ . 1 . 2]" 1
1214 1 76 ALA MB 1 80 ALA MB . . 3.440 3.409 3.314 3.477 0.037 13 0 "[ . 1 . 2]" 1
1215 1 77 ASP H 1 77 ASP HB2 . . 3.730 2.529 2.105 3.528 . 0 0 "[ . 1 . 2]" 1
1216 1 77 ASP H 1 77 ASP QB . . 3.150 2.170 2.074 2.249 . 0 0 "[ . 1 . 2]" 1
1217 1 77 ASP H 1 77 ASP HB3 . . 3.730 2.681 2.134 3.113 . 0 0 "[ . 1 . 2]" 1
1218 1 77 ASP H 1 78 PHE H . . 3.270 2.641 2.611 2.671 . 0 0 "[ . 1 . 2]" 1
1219 1 77 ASP H 1 78 PHE HB2 . . 4.930 4.544 4.456 4.787 . 0 0 "[ . 1 . 2]" 1
1220 1 77 ASP H 1 79 ILE H . . 4.710 4.391 4.328 4.462 . 0 0 "[ . 1 . 2]" 1
1221 1 77 ASP H 1 79 ILE MG . . 4.650 4.042 3.960 4.102 . 0 0 "[ . 1 . 2]" 1
1222 1 77 ASP H 1 80 ALA H . . 4.830 4.591 4.540 4.628 . 0 0 "[ . 1 . 2]" 1
1223 1 77 ASP H 1 80 ALA MB . . 4.610 4.360 4.293 4.453 . 0 0 "[ . 1 . 2]" 1
1224 1 77 ASP HA 1 80 ALA H . . 4.110 3.591 3.539 3.661 . 0 0 "[ . 1 . 2]" 1
1225 1 77 ASP HA 1 80 ALA MB . . 3.410 2.478 2.381 2.598 . 0 0 "[ . 1 . 2]" 1
1226 1 77 ASP QB 1 78 PHE H . . 3.830 2.754 2.516 3.418 . 0 0 "[ . 1 . 2]" 1
1227 1 77 ASP QB 1 80 ALA MB . . 5.120 4.281 4.078 4.443 . 0 0 "[ . 1 . 2]" 1
1228 1 78 PHE H 1 78 PHE HB2 . . 3.240 2.176 2.081 2.433 . 0 0 "[ . 1 . 2]" 1
1229 1 78 PHE H 1 78 PHE HB3 . . 3.740 3.423 3.068 3.586 . 0 0 "[ . 1 . 2]" 1
1230 1 78 PHE H 1 78 PHE QD . . 3.650 3.257 2.472 3.680 0.030 18 0 "[ . 1 . 2]" 1
1231 1 78 PHE H 1 79 ILE H . . 3.440 2.734 2.683 2.788 . 0 0 "[ . 1 . 2]" 1
1232 1 78 PHE H 1 79 ILE HA . . 5.370 5.323 5.282 5.366 . 0 0 "[ . 1 . 2]" 1
1233 1 78 PHE H 1 80 ALA H . . 4.100 3.895 3.844 3.938 . 0 0 "[ . 1 . 2]" 1
1234 1 78 PHE H 1 80 ALA MB . . 4.810 4.608 4.548 4.691 . 0 0 "[ . 1 . 2]" 1
1235 1 78 PHE HA 1 79 ILE MG . . 4.940 4.882 4.864 4.893 . 0 0 "[ . 1 . 2]" 1
1236 1 78 PHE HA 1 81 ARG H . . 3.850 3.709 3.599 3.797 . 0 0 "[ . 1 . 2]" 1
1237 1 78 PHE HA 1 81 ARG HB3 . . 3.530 3.027 2.813 3.259 . 0 0 "[ . 1 . 2]" 1
1238 1 78 PHE HA 1 81 ARG QD . . 5.290 4.616 4.013 5.189 . 0 0 "[ . 1 . 2]" 1
1239 1 78 PHE HA 1 82 GLU H . . 4.110 3.977 3.737 4.116 0.006 20 0 "[ . 1 . 2]" 1
1240 1 78 PHE HA 1 82 GLU HB2 . . 5.120 4.947 4.636 5.189 0.069 14 0 "[ . 1 . 2]" 1
1241 1 78 PHE HB2 1 79 ILE H . . 3.780 2.729 2.385 3.247 . 0 0 "[ . 1 . 2]" 1
1242 1 78 PHE HB3 1 79 ILE H . . 3.760 2.944 2.454 3.368 . 0 0 "[ . 1 . 2]" 1
1243 1 78 PHE HB3 1 79 ILE MG . . 5.070 4.333 3.851 4.754 . 0 0 "[ . 1 . 2]" 1
1244 1 78 PHE HB3 1 80 ALA H . . 5.500 5.116 4.821 5.387 . 0 0 "[ . 1 . 2]" 1
1245 1 78 PHE QD 1 79 ILE H . . 4.510 4.393 4.184 4.490 . 0 0 "[ . 1 . 2]" 1
1246 1 79 ILE H 1 79 ILE HB . . 3.130 2.736 2.711 2.759 . 0 0 "[ . 1 . 2]" 1
1247 1 79 ILE H 1 79 ILE MD . . 4.130 4.038 4.014 4.066 . 0 0 "[ . 1 . 2]" 1
1248 1 79 ILE H 1 79 ILE QG . . 4.430 4.047 4.045 4.049 . 0 0 "[ . 1 . 2]" 1
1249 1 79 ILE H 1 79 ILE MG . . 3.580 1.870 1.860 1.888 . 0 0 "[ . 1 . 2]" 1
1250 1 79 ILE H 1 80 ALA H . . 3.250 2.598 2.572 2.637 . 0 0 "[ . 1 . 2]" 1
1251 1 79 ILE H 1 81 ARG H . . 4.480 4.256 4.093 4.341 . 0 0 "[ . 1 . 2]" 1
1252 1 79 ILE H 1 82 GLU QG . . 5.050 4.937 4.721 5.122 0.072 17 0 "[ . 1 . 2]" 1
1253 1 79 ILE HA 1 79 ILE MD . . 4.080 3.552 3.526 3.564 . 0 0 "[ . 1 . 2]" 1
1254 1 79 ILE HA 1 79 ILE QG . . 3.550 2.425 2.406 2.440 . 0 0 "[ . 1 . 2]" 1
1255 1 79 ILE HA 1 79 ILE MG . . 3.580 3.190 3.188 3.193 . 0 0 "[ . 1 . 2]" 1
1256 1 79 ILE HA 1 81 ARG H . . 4.960 4.636 4.408 4.798 . 0 0 "[ . 1 . 2]" 1
1257 1 79 ILE HA 1 82 GLU H . . 4.130 3.608 3.519 3.754 . 0 0 "[ . 1 . 2]" 1
1258 1 79 ILE HA 1 82 GLU HB2 . . 4.270 2.673 2.411 2.945 . 0 0 "[ . 1 . 2]" 1
1259 1 79 ILE HA 1 83 GLU H . . 4.390 3.627 3.465 3.798 . 0 0 "[ . 1 . 2]" 1
1260 1 79 ILE HB 1 79 ILE MD . . 3.590 3.142 3.140 3.150 . 0 0 "[ . 1 . 2]" 1
1261 1 79 ILE HB 1 80 ALA H . . 4.370 4.065 4.042 4.079 . 0 0 "[ . 1 . 2]" 1
1262 1 79 ILE MD 1 79 ILE MG . . 2.920 1.813 1.810 1.815 . 0 0 "[ . 1 . 2]" 1
1263 1 79 ILE MD 1 80 ALA H . . 3.850 2.975 2.905 3.065 . 0 0 "[ . 1 . 2]" 1
1264 1 79 ILE MD 1 81 ARG H . . 5.500 4.832 4.717 4.910 . 0 0 "[ . 1 . 2]" 1
1265 1 79 ILE MD 1 83 GLU H . . 4.650 4.151 4.066 4.328 . 0 0 "[ . 1 . 2]" 1
1266 1 79 ILE QG 1 79 ILE MG . . 3.050 2.535 2.529 2.538 . 0 0 "[ . 1 . 2]" 1
1267 1 79 ILE HG12 1 79 ILE MG . . 3.740 3.120 3.118 3.125 . 0 0 "[ . 1 . 2]" 1
1268 1 79 ILE HG13 1 79 ILE MG . . 3.740 2.683 2.671 2.687 . 0 0 "[ . 1 . 2]" 1
1269 1 79 ILE MG 1 80 ALA H . . 3.360 2.015 1.957 2.079 . 0 0 "[ . 1 . 2]" 1
1270 1 79 ILE MG 1 80 ALA HA . . 3.970 3.490 3.443 3.530 . 0 0 "[ . 1 . 2]" 1
1271 1 79 ILE MG 1 80 ALA MB . . 3.760 2.906 2.838 2.973 . 0 0 "[ . 1 . 2]" 1
1272 1 79 ILE MG 1 81 ARG H . . 4.470 4.311 4.202 4.385 . 0 0 "[ . 1 . 2]" 1
1273 1 79 ILE MG 1 83 GLU QG . . 5.500 4.440 4.319 4.643 . 0 0 "[ . 1 . 2]" 1
1274 1 80 ALA H 1 80 ALA MB . . 2.590 2.241 2.206 2.249 . 0 0 "[ . 1 . 2]" 1
1275 1 80 ALA H 1 82 GLU H . . 4.650 3.915 3.798 4.028 . 0 0 "[ . 1 . 2]" 1
1276 1 80 ALA H 1 82 GLU QG . . 5.500 5.441 5.257 5.521 0.021 17 0 "[ . 1 . 2]" 1
1277 1 80 ALA H 1 83 GLU H . . 4.790 4.588 4.528 4.654 . 0 0 "[ . 1 . 2]" 1
1278 1 80 ALA H 1 83 GLU HB2 . . 5.110 4.850 4.675 5.082 . 0 0 "[ . 1 . 2]" 1
1279 1 80 ALA H 1 83 GLU QG . . 5.500 5.063 4.990 5.163 . 0 0 "[ . 1 . 2]" 1
1280 1 80 ALA HA 1 83 GLU H . . 3.980 3.690 3.504 3.815 . 0 0 "[ . 1 . 2]" 1
1281 1 80 ALA HA 1 83 GLU HB2 . . 3.910 2.745 2.479 3.008 . 0 0 "[ . 1 . 2]" 1
1282 1 80 ALA HA 1 84 ILE H . . 4.550 3.763 3.407 4.104 . 0 0 "[ . 1 . 2]" 1
1283 1 80 ALA MB 1 81 ARG H . . 2.950 2.459 2.345 2.635 . 0 0 "[ . 1 . 2]" 1
1284 1 80 ALA MB 1 81 ARG HA . . 4.340 3.815 3.758 3.861 . 0 0 "[ . 1 . 2]" 1
1285 1 80 ALA MB 1 81 ARG HB2 . . 4.100 3.971 3.797 4.072 . 0 0 "[ . 1 . 2]" 1
1286 1 80 ALA MB 1 83 GLU H . . 4.930 4.787 4.658 4.876 . 0 0 "[ . 1 . 2]" 1
1287 1 80 ALA MB 1 84 ILE H . . 4.970 4.556 4.207 4.863 . 0 0 "[ . 1 . 2]" 1
1288 1 81 ARG H 1 81 ARG HB2 . . 3.020 2.589 2.400 2.867 . 0 0 "[ . 1 . 2]" 1
1289 1 81 ARG H 1 81 ARG HB3 . . 3.210 2.482 2.257 2.678 . 0 0 "[ . 1 . 2]" 1
1290 1 81 ARG H 1 82 GLU H . . 3.230 2.581 2.494 2.745 . 0 0 "[ . 1 . 2]" 1
1291 1 81 ARG H 1 82 GLU QG . . 4.830 4.543 4.419 4.775 . 0 0 "[ . 1 . 2]" 1
1292 1 81 ARG H 1 83 GLU H . . 4.450 4.253 4.029 4.357 . 0 0 "[ . 1 . 2]" 1
1293 1 81 ARG H 1 84 ILE HG12 . . 4.810 4.614 4.420 4.810 . 0 0 "[ . 1 . 2]" 1
1294 1 81 ARG HA 1 81 ARG HG2 . . 3.980 3.497 2.786 3.773 . 0 0 "[ . 1 . 2]" 1
1295 1 81 ARG HA 1 81 ARG HG3 . . 3.880 2.514 2.317 2.715 . 0 0 "[ . 1 . 2]" 1
1296 1 81 ARG HA 1 84 ILE H . . 4.300 4.001 3.760 4.129 . 0 0 "[ . 1 . 2]" 1
1297 1 81 ARG HA 1 84 ILE HB . . 5.130 4.995 4.779 5.134 0.004 12 0 "[ . 1 . 2]" 1
1298 1 81 ARG HA 1 84 ILE MD . . 4.130 2.992 2.778 3.134 . 0 0 "[ . 1 . 2]" 1
1299 1 81 ARG HA 1 84 ILE MG . . 3.860 3.656 3.487 3.883 0.023 8 0 "[ . 1 . 2]" 1
1300 1 81 ARG HB2 1 81 ARG HD2 . . 4.210 2.574 2.050 3.664 . 0 0 "[ . 1 . 2]" 1
1301 1 81 ARG HB2 1 81 ARG QD . . 3.650 2.298 1.936 2.717 . 0 0 "[ . 1 . 2]" 1
1302 1 81 ARG HB2 1 81 ARG HD3 . . 4.210 3.013 1.952 3.831 . 0 0 "[ . 1 . 2]" 1
1303 1 81 ARG HB3 1 82 GLU H . . 4.370 2.756 2.633 2.953 . 0 0 "[ . 1 . 2]" 1
1304 1 81 ARG HB3 1 82 GLU QG . . 4.070 3.542 3.314 3.755 . 0 0 "[ . 1 . 2]" 1
1305 1 81 ARG QD 1 82 GLU H . . 5.340 5.057 4.513 5.241 . 0 0 "[ . 1 . 2]" 1
1306 1 81 ARG HG2 1 82 GLU H . . 4.170 4.023 3.558 4.203 0.033 13 0 "[ . 1 . 2]" 1
1307 1 81 ARG HG2 1 82 GLU HA . . 4.940 4.068 3.464 4.464 . 0 0 "[ . 1 . 2]" 1
1308 1 81 ARG HG3 1 84 ILE MD . . 4.080 3.347 3.021 3.672 . 0 0 "[ . 1 . 2]" 1
1309 1 81 ARG HG3 1 84 ILE HG12 . . 4.660 4.290 3.931 4.585 . 0 0 "[ . 1 . 2]" 1
1310 1 81 ARG HG3 1 84 ILE HG13 . . 4.630 4.039 3.685 4.401 . 0 0 "[ . 1 . 2]" 1
1311 1 81 ARG HG3 1 85 GLU H . . 5.500 4.862 4.393 5.518 0.018 16 0 "[ . 1 . 2]" 1
1312 1 82 GLU H 1 82 GLU HB2 . . 3.090 2.327 2.265 2.382 . 0 0 "[ . 1 . 2]" 1
1313 1 82 GLU H 1 82 GLU HB3 . . 4.080 3.568 3.542 3.586 . 0 0 "[ . 1 . 2]" 1
1314 1 82 GLU H 1 82 GLU QG . . 3.400 2.629 2.448 2.746 . 0 0 "[ . 1 . 2]" 1
1315 1 82 GLU H 1 83 GLU H . . 3.090 2.574 2.526 2.615 . 0 0 "[ . 1 . 2]" 1
1316 1 82 GLU H 1 83 GLU QG . . 4.860 4.724 4.625 4.790 . 0 0 "[ . 1 . 2]" 1
1317 1 82 GLU H 1 84 ILE MG . . 5.500 5.175 5.008 5.278 . 0 0 "[ . 1 . 2]" 1
1318 1 82 GLU HA 1 85 GLU H . . 3.770 3.480 3.394 3.688 . 0 0 "[ . 1 . 2]" 1
1319 1 82 GLU HA 1 85 GLU QB . . 3.370 2.331 2.104 2.575 . 0 0 "[ . 1 . 2]" 1
1320 1 82 GLU HA 1 85 GLU QG . . 4.030 3.683 3.099 4.054 0.024 11 0 "[ . 1 . 2]" 1
1321 1 82 GLU HB2 1 83 GLU HA . . 4.610 4.417 4.331 4.526 . 0 0 "[ . 1 . 2]" 1
1322 1 82 GLU HB3 1 83 GLU H . . 4.080 3.363 3.256 3.580 . 0 0 "[ . 1 . 2]" 1
1323 1 82 GLU HB3 1 83 GLU HA . . 4.470 4.190 4.113 4.262 . 0 0 "[ . 1 . 2]" 1
1324 1 82 GLU HB3 1 83 GLU QG . . 4.480 4.431 4.158 4.538 0.058 7 0 "[ . 1 . 2]" 1
1325 1 83 GLU H 1 83 GLU HB2 . . 3.030 2.264 2.229 2.316 . 0 0 "[ . 1 . 2]" 1
1326 1 83 GLU H 1 83 GLU HB3 . . 3.700 3.536 3.522 3.557 . 0 0 "[ . 1 . 2]" 1
1327 1 83 GLU H 1 83 GLU QG . . 3.440 2.656 2.516 2.769 . 0 0 "[ . 1 . 2]" 1
1328 1 83 GLU H 1 84 ILE H . . 3.490 2.857 2.669 2.907 . 0 0 "[ . 1 . 2]" 1
1329 1 83 GLU H 1 84 ILE MG . . 4.570 4.371 4.192 4.478 . 0 0 "[ . 1 . 2]" 1
1330 1 83 GLU H 1 85 GLU H . . 4.100 3.932 3.781 3.982 . 0 0 "[ . 1 . 2]" 1
1331 1 83 GLU HA 1 86 MET H . . 4.010 3.750 3.632 3.829 . 0 0 "[ . 1 . 2]" 1
1332 1 83 GLU HA 1 86 MET HB2 . . 4.540 4.136 3.799 4.400 . 0 0 "[ . 1 . 2]" 1
1333 1 83 GLU HA 1 86 MET HB3 . . 4.790 3.927 3.624 4.314 . 0 0 "[ . 1 . 2]" 1
1334 1 83 GLU HA 1 87 MET H . . 4.380 4.082 3.962 4.194 . 0 0 "[ . 1 . 2]" 1
1335 1 83 GLU HA 1 87 MET HG3 . . 4.070 3.962 3.707 4.080 0.010 17 0 "[ . 1 . 2]" 1
1336 1 83 GLU HB2 1 84 ILE H . . 3.020 2.530 2.469 2.571 . 0 0 "[ . 1 . 2]" 1
1337 1 83 GLU HB2 1 84 ILE HA . . 4.760 4.619 4.507 4.678 . 0 0 "[ . 1 . 2]" 1
1338 1 83 GLU HB3 1 84 ILE H . . 3.800 3.089 3.030 3.184 . 0 0 "[ . 1 . 2]" 1
1339 1 83 GLU HB3 1 84 ILE HA . . 4.240 4.026 3.983 4.097 . 0 0 "[ . 1 . 2]" 1
1340 1 83 GLU HB3 1 84 ILE HG13 . . 5.500 5.374 5.295 5.494 . 0 0 "[ . 1 . 2]" 1
1341 1 83 GLU HB3 1 84 ILE MG . . 4.320 3.455 3.354 3.603 . 0 0 "[ . 1 . 2]" 1
1342 1 83 GLU HB3 1 87 MET HG3 . . 3.740 3.190 2.834 3.429 . 0 0 "[ . 1 . 2]" 1
1343 1 83 GLU QG 1 84 ILE H . . 4.570 4.203 4.159 4.230 . 0 0 "[ . 1 . 2]" 1
1344 1 83 GLU QG 1 85 GLU H . . 5.500 5.585 5.534 5.622 0.122 13 0 "[ . 1 . 2]" 1
1345 1 84 ILE H 1 84 ILE HB . . 3.920 3.614 3.608 3.619 . 0 0 "[ . 1 . 2]" 1
1346 1 84 ILE H 1 84 ILE MD . . 3.940 3.842 3.798 3.901 . 0 0 "[ . 1 . 2]" 1
1347 1 84 ILE H 1 84 ILE HG12 . . 3.710 3.159 3.059 3.219 . 0 0 "[ . 1 . 2]" 1
1348 1 84 ILE H 1 84 ILE HG13 . . 3.460 2.302 2.248 2.398 . 0 0 "[ . 1 . 2]" 1
1349 1 84 ILE H 1 84 ILE MG . . 3.510 2.180 2.007 2.312 . 0 0 "[ . 1 . 2]" 1
1350 1 84 ILE H 1 85 GLU H . . 3.410 2.619 2.576 2.706 . 0 0 "[ . 1 . 2]" 1
1351 1 84 ILE H 1 86 MET H . . 4.770 4.436 4.308 4.607 . 0 0 "[ . 1 . 2]" 1
1352 1 84 ILE HA 1 84 ILE MD . . 3.840 3.706 3.642 3.780 . 0 0 "[ . 1 . 2]" 1
1353 1 84 ILE HA 1 84 ILE HG13 . . 4.070 3.552 3.537 3.561 . 0 0 "[ . 1 . 2]" 1
1354 1 84 ILE HA 1 84 ILE MG . . 3.660 2.375 2.297 2.430 . 0 0 "[ . 1 . 2]" 1
1355 1 84 ILE HA 1 87 MET HB2 . . 4.050 2.350 2.150 2.567 . 0 0 "[ . 1 . 2]" 1
1356 1 84 ILE HA 1 87 MET HB3 . . 4.330 3.999 3.751 4.240 . 0 0 "[ . 1 . 2]" 1
1357 1 84 ILE HA 1 88 VAL H . . 4.010 3.311 3.187 3.427 . 0 0 "[ . 1 . 2]" 1
1358 1 84 ILE HA 1 88 VAL MG2 . . 4.380 3.132 3.012 3.226 . 0 0 "[ . 1 . 2]" 1
1359 1 84 ILE HB 1 84 ILE MD . . 3.570 2.060 2.017 2.196 . 0 0 "[ . 1 . 2]" 1
1360 1 84 ILE HB 1 88 VAL H . . 4.530 4.338 4.159 4.426 . 0 0 "[ . 1 . 2]" 1
1361 1 84 ILE HB 1 88 VAL HB . . 4.320 4.322 4.276 4.348 0.028 8 0 "[ . 1 . 2]" 1
1362 1 84 ILE MD 1 84 ILE MG . . 3.080 3.067 3.016 3.090 0.010 2 0 "[ . 1 . 2]" 1
1363 1 84 ILE MD 1 85 GLU QB . . 3.840 3.070 2.813 3.617 . 0 0 "[ . 1 . 2]" 1
1364 1 84 ILE MD 1 88 VAL HB . . 4.270 3.568 3.391 3.734 . 0 0 "[ . 1 . 2]" 1
1365 1 84 ILE HG12 1 84 ILE MG . . 3.360 1.970 1.935 2.101 . 0 0 "[ . 1 . 2]" 1
1366 1 84 ILE HG12 1 85 GLU H . . 4.400 3.709 3.692 3.730 . 0 0 "[ . 1 . 2]" 1
1367 1 84 ILE HG12 1 88 VAL MG2 . . 4.910 4.634 4.502 4.748 . 0 0 "[ . 1 . 2]" 1
1368 1 84 ILE HG13 1 84 ILE MG . . 3.680 2.781 2.749 2.848 . 0 0 "[ . 1 . 2]" 1
1369 1 84 ILE HG13 1 85 GLU QB . . 4.830 3.381 3.270 3.545 . 0 0 "[ . 1 . 2]" 1
1370 1 84 ILE HG13 1 88 VAL HB . . 5.500 5.540 5.504 5.585 0.085 3 0 "[ . 1 . 2]" 1
1371 1 84 ILE HG13 1 88 VAL MG2 . . 4.470 4.446 4.356 4.485 0.015 5 0 "[ . 1 . 2]" 1
1372 1 84 ILE MG 1 85 GLU H . . 3.930 3.893 3.868 3.939 0.009 20 0 "[ . 1 . 2]" 1
1373 1 84 ILE MG 1 87 MET H . . 5.500 5.177 5.137 5.213 . 0 0 "[ . 1 . 2]" 1
1374 1 84 ILE MG 1 87 MET HG3 . . 4.200 4.161 3.871 4.263 0.063 3 0 "[ . 1 . 2]" 1
1375 1 84 ILE MG 1 88 VAL H . . 5.250 5.055 4.926 5.122 . 0 0 "[ . 1 . 2]" 1
1376 1 84 ILE MG 1 88 VAL MG2 . . 3.690 3.665 3.575 3.718 0.028 8 0 "[ . 1 . 2]" 1
1377 1 85 GLU H 1 85 GLU QB . . 2.750 2.188 2.043 2.250 . 0 0 "[ . 1 . 2]" 1
1378 1 85 GLU H 1 86 MET H . . 3.100 2.744 2.668 2.831 . 0 0 "[ . 1 . 2]" 1
1379 1 85 GLU H 1 87 MET H . . 4.580 4.166 4.115 4.212 . 0 0 "[ . 1 . 2]" 1
1380 1 85 GLU HA 1 85 GLU QG . . 3.900 2.648 2.154 3.174 . 0 0 "[ . 1 . 2]" 1
1381 1 85 GLU HA 1 88 VAL H . . 4.190 4.058 3.937 4.187 . 0 0 "[ . 1 . 2]" 1
1382 1 85 GLU HA 1 88 VAL HB . . 3.650 3.297 3.099 3.514 . 0 0 "[ . 1 . 2]" 1
1383 1 85 GLU HA 1 88 VAL MG2 . . 4.230 3.978 3.868 4.084 . 0 0 "[ . 1 . 2]" 1
1384 1 85 GLU HA 1 89 PHE H . . 4.700 4.014 3.895 4.189 . 0 0 "[ . 1 . 2]" 1
1385 1 85 GLU QB 1 86 MET H . . 3.100 2.544 2.355 2.643 . 0 0 "[ . 1 . 2]" 1
1386 1 85 GLU QB 1 86 MET HB2 . . 4.170 3.882 3.609 3.980 . 0 0 "[ . 1 . 2]" 1
1387 1 86 MET H 1 86 MET HB2 . . 2.960 2.345 2.188 2.461 . 0 0 "[ . 1 . 2]" 1
1388 1 86 MET H 1 86 MET HB3 . . 3.150 2.797 2.642 3.014 . 0 0 "[ . 1 . 2]" 1
1389 1 86 MET H 1 86 MET ME . . 4.830 4.612 4.411 4.838 0.008 9 0 "[ . 1 . 2]" 1
1390 1 86 MET H 1 87 MET H . . 3.190 2.525 2.507 2.558 . 0 0 "[ . 1 . 2]" 1
1391 1 86 MET H 1 87 MET HB2 . . 5.100 4.676 4.551 4.802 . 0 0 "[ . 1 . 2]" 1
1392 1 86 MET H 1 87 MET HG2 . . 5.340 4.506 4.227 5.087 . 0 0 "[ . 1 . 2]" 1
1393 1 86 MET H 1 89 PHE HB2 . . 5.450 5.163 5.038 5.280 . 0 0 "[ . 1 . 2]" 1
1394 1 86 MET H 1 89 PHE HB3 . . 5.500 4.883 4.769 5.223 . 0 0 "[ . 1 . 2]" 1
1395 1 86 MET HA 1 88 VAL H . . 4.700 4.530 4.413 4.706 0.006 1 0 "[ . 1 . 2]" 1
1396 1 86 MET HA 1 89 PHE H . . 3.660 3.432 3.318 3.529 . 0 0 "[ . 1 . 2]" 1
1397 1 86 MET HA 1 89 PHE HB2 . . 3.820 3.293 3.011 3.468 . 0 0 "[ . 1 . 2]" 1
1398 1 86 MET HA 1 89 PHE HB3 . . 4.580 2.413 2.277 2.665 . 0 0 "[ . 1 . 2]" 1
1399 1 86 MET HA 1 90 LEU H . . 4.400 3.833 3.541 4.000 . 0 0 "[ . 1 . 2]" 1
1400 1 86 MET HB2 1 87 MET H . . 3.660 3.555 3.341 3.693 0.033 16 0 "[ . 1 . 2]" 1
1401 1 86 MET HB3 1 86 MET ME . . 4.040 3.854 3.706 3.989 . 0 0 "[ . 1 . 2]" 1
1402 1 86 MET HB3 1 87 MET H . . 3.460 2.505 2.447 2.598 . 0 0 "[ . 1 . 2]" 1
1403 1 86 MET HB3 1 87 MET HG2 . . 4.420 3.251 3.077 3.687 . 0 0 "[ . 1 . 2]" 1
1404 1 86 MET HB3 1 88 VAL H . . 5.170 5.044 4.960 5.123 . 0 0 "[ . 1 . 2]" 1
1405 1 86 MET ME 1 89 PHE QD . . 3.900 2.166 1.904 2.827 . 0 0 "[ . 1 . 2]" 1
1406 1 86 MET ME 1 90 LEU H . . 4.760 3.069 2.527 3.202 . 0 0 "[ . 1 . 2]" 1
1407 1 86 MET ME 1 90 LEU QD . . 3.180 2.874 1.969 3.187 0.007 3 0 "[ . 1 . 2]" 1
1408 1 86 MET ME 1 91 SER H . . 5.420 5.306 4.861 5.432 0.012 20 0 "[ . 1 . 2]" 1
1409 1 86 MET QG 1 90 LEU QD . . 4.170 2.818 1.948 3.909 . 0 0 "[ . 1 . 2]" 1
1410 1 87 MET H 1 87 MET HB2 . . 4.140 2.545 2.452 2.672 . 0 0 "[ . 1 . 2]" 1
1411 1 87 MET H 1 87 MET HB3 . . 3.750 3.587 3.582 3.590 . 0 0 "[ . 1 . 2]" 1
1412 1 87 MET H 1 87 MET HG2 . . 3.320 2.320 2.073 2.800 . 0 0 "[ . 1 . 2]" 1
1413 1 87 MET H 1 87 MET HG3 . . 3.280 2.941 2.676 3.195 . 0 0 "[ . 1 . 2]" 1
1414 1 87 MET H 1 88 VAL H . . 3.300 2.782 2.710 2.866 . 0 0 "[ . 1 . 2]" 1
1415 1 87 MET H 1 88 VAL HA . . 5.500 5.373 5.320 5.429 . 0 0 "[ . 1 . 2]" 1
1416 1 87 MET H 1 88 VAL MG2 . . 4.810 4.532 4.464 4.593 . 0 0 "[ . 1 . 2]" 1
1417 1 87 MET H 1 89 PHE H . . 4.290 4.067 4.025 4.136 . 0 0 "[ . 1 . 2]" 1
1418 1 87 MET H 1 90 LEU QD . . 3.860 3.775 3.365 3.879 0.019 1 0 "[ . 1 . 2]" 1
1419 1 87 MET HA 1 87 MET HG2 . . 4.140 2.556 2.316 2.678 . 0 0 "[ . 1 . 2]" 1
1420 1 87 MET HA 1 87 MET HG3 . . 3.990 3.725 3.516 3.788 . 0 0 "[ . 1 . 2]" 1
1421 1 87 MET HA 1 89 PHE H . . 4.540 4.522 4.435 4.558 0.018 10 0 "[ . 1 . 2]" 1
1422 1 87 MET HA 1 90 LEU H . . 4.340 4.000 3.857 4.096 . 0 0 "[ . 1 . 2]" 1
1423 1 87 MET HA 1 90 LEU QB . . 4.790 4.294 3.377 4.664 . 0 0 "[ . 1 . 2]" 1
1424 1 87 MET HA 1 90 LEU QD . . 3.620 2.123 1.958 2.512 . 0 0 "[ . 1 . 2]" 1
1425 1 87 MET HA 1 91 SER H . . 4.290 4.166 3.759 4.299 0.009 20 0 "[ . 1 . 2]" 1
1426 1 87 MET HB2 1 88 VAL H . . 3.520 2.497 2.369 2.567 . 0 0 "[ . 1 . 2]" 1
1427 1 87 MET HB2 1 88 VAL MG2 . . 4.130 3.227 3.071 3.352 . 0 0 "[ . 1 . 2]" 1
1428 1 87 MET HB2 1 89 PHE H . . 5.050 4.872 4.815 4.920 . 0 0 "[ . 1 . 2]" 1
1429 1 87 MET HB2 1 90 LEU QD . . 4.980 4.472 4.234 5.002 0.022 1 0 "[ . 1 . 2]" 1
1430 1 87 MET HB3 1 88 VAL H . . 4.150 3.574 3.427 3.757 . 0 0 "[ . 1 . 2]" 1
1431 1 87 MET HG2 1 90 LEU QD . . 4.350 3.593 3.138 3.918 . 0 0 "[ . 1 . 2]" 1
1432 1 88 VAL H 1 88 VAL HB . . 3.020 2.431 2.410 2.458 . 0 0 "[ . 1 . 2]" 1
1433 1 88 VAL H 1 88 VAL MG1 . . 3.820 3.749 3.743 3.755 . 0 0 "[ . 1 . 2]" 1
1434 1 88 VAL H 1 88 VAL MG2 . . 3.010 2.459 2.188 2.529 . 0 0 "[ . 1 . 2]" 1
1435 1 88 VAL H 1 89 PHE H . . 2.740 2.549 2.503 2.668 . 0 0 "[ . 1 . 2]" 1
1436 1 88 VAL H 1 89 PHE HA . . 5.320 5.160 5.111 5.265 . 0 0 "[ . 1 . 2]" 1
1437 1 88 VAL H 1 89 PHE HB2 . . 5.170 4.977 4.837 5.041 . 0 0 "[ . 1 . 2]" 1
1438 1 88 VAL H 1 89 PHE HB3 . . 5.100 4.684 4.579 5.001 . 0 0 "[ . 1 . 2]" 1
1439 1 88 VAL H 1 90 LEU H . . 4.650 4.462 4.377 4.534 . 0 0 "[ . 1 . 2]" 1
1440 1 88 VAL H 1 90 LEU QD . . 4.940 4.492 4.256 4.968 0.028 19 0 "[ . 1 . 2]" 1
1441 1 88 VAL HA 1 88 VAL MG1 . . 3.670 2.391 2.364 2.430 . 0 0 "[ . 1 . 2]" 1
1442 1 88 VAL HA 1 88 VAL MG2 . . 3.530 2.275 2.236 2.379 . 0 0 "[ . 1 . 2]" 1
1443 1 88 VAL HA 1 91 SER H . . 3.940 3.491 3.359 3.867 . 0 0 "[ . 1 . 2]" 1
1444 1 88 VAL HA 1 91 SER QB . . 4.400 2.296 2.046 3.435 . 0 0 "[ . 1 . 2]" 1
1445 1 88 VAL HA 1 92 SER H . . 4.780 4.132 3.735 4.485 . 0 0 "[ . 1 . 2]" 1
1446 1 88 VAL HB 1 89 PHE H . . 3.280 2.713 2.653 2.726 . 0 0 "[ . 1 . 2]" 1
1447 1 88 VAL MG1 1 89 PHE H . . 3.540 3.408 3.348 3.450 . 0 0 "[ . 1 . 2]" 1
1448 1 89 PHE H 1 89 PHE HB2 . . 3.210 2.594 2.405 2.645 . 0 0 "[ . 1 . 2]" 1
1449 1 89 PHE H 1 89 PHE HB3 . . 3.200 2.469 2.423 2.660 . 0 0 "[ . 1 . 2]" 1
1450 1 89 PHE H 1 89 PHE QD . . 4.400 4.171 4.163 4.184 . 0 0 "[ . 1 . 2]" 1
1451 1 89 PHE H 1 90 LEU H . . 3.600 2.872 2.795 2.942 . 0 0 "[ . 1 . 2]" 1
1452 1 89 PHE H 1 90 LEU QD . . 4.840 4.403 4.280 4.570 . 0 0 "[ . 1 . 2]" 1
1453 1 89 PHE H 1 91 SER H . . 4.380 4.031 3.887 4.350 . 0 0 "[ . 1 . 2]" 1
1454 1 89 PHE HA 1 89 PHE QD . . 4.280 2.996 2.837 3.118 . 0 0 "[ . 1 . 2]" 1
1455 1 89 PHE HA 1 92 SER H . . 4.070 3.775 3.534 3.909 . 0 0 "[ . 1 . 2]" 1
1456 1 89 PHE HA 1 92 SER QB . . 4.210 3.194 2.808 3.561 . 0 0 "[ . 1 . 2]" 1
1457 1 89 PHE HB2 1 90 LEU H . . 3.800 3.769 3.633 3.806 0.006 13 0 "[ . 1 . 2]" 1
1458 1 89 PHE HB3 1 90 LEU H . . 3.590 2.338 2.253 2.372 . 0 0 "[ . 1 . 2]" 1
1459 1 89 PHE HB3 1 91 SER H . . 4.850 4.751 4.672 4.971 0.121 1 0 "[ . 1 . 2]" 1
1460 1 89 PHE QD 1 90 LEU H . . 3.870 2.781 2.641 3.139 . 0 0 "[ . 1 . 2]" 1
1461 1 89 PHE QD 1 93 VAL QG . . 4.630 3.654 2.740 4.155 . 0 0 "[ . 1 . 2]" 1
1462 1 90 LEU H 1 90 LEU HB2 . . 3.640 3.444 2.660 3.593 . 0 0 "[ . 1 . 2]" 1
1463 1 90 LEU H 1 90 LEU HB3 . . 3.640 2.767 2.507 3.579 . 0 0 "[ . 1 . 2]" 1
1464 1 90 LEU H 1 90 LEU MD1 . . 3.760 3.497 3.070 3.755 . 0 0 "[ . 1 . 2]" 1
1465 1 90 LEU H 1 90 LEU QD . . 3.120 2.908 2.811 2.993 . 0 0 "[ . 1 . 2]" 1
1466 1 90 LEU H 1 90 LEU MD2 . . 3.760 3.144 2.943 3.477 . 0 0 "[ . 1 . 2]" 1
1467 1 90 LEU H 1 90 LEU HG . . 4.140 2.029 1.936 2.280 . 0 0 "[ . 1 . 2]" 1
1468 1 90 LEU H 1 91 SER H . . 3.430 2.636 2.547 2.807 . 0 0 "[ . 1 . 2]" 1
1469 1 90 LEU H 1 93 VAL QG . . 5.250 4.567 4.208 4.838 . 0 0 "[ . 1 . 2]" 1
1470 1 90 LEU HA 1 90 LEU QD . . 4.150 3.243 2.393 3.429 . 0 0 "[ . 1 . 2]" 1
1471 1 90 LEU HA 1 93 VAL H . . 3.980 3.312 3.169 3.447 . 0 0 "[ . 1 . 2]" 1
1472 1 90 LEU HA 1 93 VAL HB . . 4.380 3.020 2.741 3.334 . 0 0 "[ . 1 . 2]" 1
1473 1 90 LEU HA 1 94 LEU H . . 4.870 4.227 3.930 4.462 . 0 0 "[ . 1 . 2]" 1
1474 1 90 LEU QB 1 91 SER H . . 3.780 3.251 2.235 3.486 . 0 0 "[ . 1 . 2]" 1
1475 1 90 LEU QB 1 93 VAL H . . 5.340 4.612 4.472 4.866 . 0 0 "[ . 1 . 2]" 1
1476 1 90 LEU QB 1 93 VAL HB . . 4.680 4.118 3.763 4.364 . 0 0 "[ . 1 . 2]" 1
1477 1 90 LEU HB2 1 91 SER H . . 4.310 3.515 2.259 3.856 . 0 0 "[ . 1 . 2]" 1
1478 1 90 LEU HB2 1 93 VAL HB . . 5.340 4.483 3.913 5.398 0.058 19 0 "[ . 1 . 2]" 1
1479 1 90 LEU HB3 1 91 SER H . . 4.310 3.929 3.538 4.055 . 0 0 "[ . 1 . 2]" 1
1480 1 90 LEU HB3 1 93 VAL HB . . 5.340 4.996 4.391 5.342 0.002 13 0 "[ . 1 . 2]" 1
1481 1 90 LEU QD 1 91 SER H . . 3.740 2.595 2.184 3.723 . 0 0 "[ . 1 . 2]" 1
1482 1 90 LEU QD 1 92 SER H . . 5.440 4.496 4.259 5.425 . 0 0 "[ . 1 . 2]" 1
1483 1 90 LEU QD 1 93 VAL QG . . 4.910 4.409 3.671 4.725 . 0 0 "[ . 1 . 2]" 1
1484 1 90 LEU QD 1 94 LEU HG . . 5.120 3.348 2.456 4.355 . 0 0 "[ . 1 . 2]" 1
1485 1 90 LEU MD1 1 91 SER H . . 4.380 2.642 2.195 3.909 . 0 0 "[ . 1 . 2]" 1
1486 1 90 LEU MD2 1 91 SER H . . 4.380 4.031 3.762 4.686 0.306 1 0 "[ . 1 . 2]" 1
1487 1 90 LEU HG 1 91 SER H . . 4.310 2.525 2.034 4.064 . 0 0 "[ . 1 . 2]" 1
1488 1 91 SER H 1 91 SER QB . . 3.170 2.222 2.143 2.367 . 0 0 "[ . 1 . 2]" 1
1489 1 91 SER H 1 92 SER H . . 3.370 2.711 2.563 2.842 . 0 0 "[ . 1 . 2]" 1
1490 1 91 SER H 1 92 SER QB . . 4.880 4.474 4.312 4.573 . 0 0 "[ . 1 . 2]" 1
1491 1 91 SER H 1 93 VAL H . . 4.290 4.129 3.965 4.225 . 0 0 "[ . 1 . 2]" 1
1492 1 91 SER H 1 93 VAL QG . . 5.230 4.866 4.710 5.052 . 0 0 "[ . 1 . 2]" 1
1493 1 91 SER H 1 94 LEU H . . 5.150 4.727 4.586 4.832 . 0 0 "[ . 1 . 2]" 1
1494 1 91 SER HA 1 94 LEU H . . 3.780 3.336 3.196 3.445 . 0 0 "[ . 1 . 2]" 1
1495 1 91 SER HA 1 94 LEU QD . . 4.420 2.764 2.127 3.218 . 0 0 "[ . 1 . 2]" 1
1496 1 91 SER HA 1 95 GLU H . . 4.680 3.728 3.601 4.048 . 0 0 "[ . 1 . 2]" 1
1497 1 91 SER QB 1 92 SER H . . 3.420 2.846 2.611 3.395 . 0 0 "[ . 1 . 2]" 1
1498 1 92 SER H 1 92 SER QB . . 2.770 2.237 2.188 2.268 . 0 0 "[ . 1 . 2]" 1
1499 1 92 SER H 1 93 VAL H . . 3.190 2.564 2.545 2.641 . 0 0 "[ . 1 . 2]" 1
1500 1 92 SER H 1 93 VAL QG . . 4.720 3.916 3.714 4.163 . 0 0 "[ . 1 . 2]" 1
1501 1 92 SER H 1 94 LEU H . . 4.480 4.056 3.954 4.120 . 0 0 "[ . 1 . 2]" 1
1502 1 92 SER H 1 95 GLU H . . 4.960 4.627 4.597 4.724 . 0 0 "[ . 1 . 2]" 1
1503 1 92 SER H 1 95 GLU HG2 . . 5.500 4.392 4.251 5.253 . 0 0 "[ . 1 . 2]" 1
1504 1 92 SER HA 1 95 GLU H . . 3.940 3.655 3.595 3.695 . 0 0 "[ . 1 . 2]" 1
1505 1 92 SER HA 1 95 GLU HB2 . . 4.500 4.543 4.495 4.614 0.114 13 0 "[ . 1 . 2]" 1
1506 1 92 SER HA 1 95 GLU HB3 . . 4.080 3.600 3.098 3.664 . 0 0 "[ . 1 . 2]" 1
1507 1 92 SER HA 1 95 GLU HG2 . . 4.120 2.029 1.947 2.548 . 0 0 "[ . 1 . 2]" 1
1508 1 92 SER QB 1 93 VAL H . . 3.640 2.800 2.762 2.890 . 0 0 "[ . 1 . 2]" 1
1509 1 93 VAL H 1 93 VAL HB . . 3.150 2.537 2.474 2.612 . 0 0 "[ . 1 . 2]" 1
1510 1 93 VAL H 1 93 VAL MG1 . . 3.980 3.780 3.770 3.789 . 0 0 "[ . 1 . 2]" 1
1511 1 93 VAL H 1 93 VAL QG . . 2.950 2.263 2.051 2.462 . 0 0 "[ . 1 . 2]" 1
1512 1 93 VAL H 1 93 VAL MG2 . . 3.980 2.282 2.060 2.495 . 0 0 "[ . 1 . 2]" 1
1513 1 93 VAL H 1 94 LEU H . . 3.250 2.409 2.354 2.479 . 0 0 "[ . 1 . 2]" 1
1514 1 93 VAL H 1 94 LEU HA . . 5.300 5.077 5.025 5.136 . 0 0 "[ . 1 . 2]" 1
1515 1 93 VAL H 1 94 LEU QD . . 4.420 4.392 4.124 4.428 0.008 6 0 "[ . 1 . 2]" 1
1516 1 93 VAL H 1 95 GLU H . . 4.210 3.844 3.688 3.888 . 0 0 "[ . 1 . 2]" 1
1517 1 93 VAL H 1 95 GLU HB3 . . 5.500 5.477 5.212 5.530 0.030 17 0 "[ . 1 . 2]" 1
1518 1 93 VAL H 1 96 ASP H . . 5.500 4.887 4.607 5.498 . 0 0 "[ . 1 . 2]" 1
1519 1 93 VAL HA 1 93 VAL MG1 . . 3.620 2.318 2.215 2.396 . 0 0 "[ . 1 . 2]" 1
1520 1 93 VAL HA 1 93 VAL MG2 . . 3.620 2.367 2.292 2.458 . 0 0 "[ . 1 . 2]" 1
1521 1 93 VAL HA 1 95 GLU H . . 4.560 4.392 3.931 4.515 . 0 0 "[ . 1 . 2]" 1
1522 1 93 VAL HA 1 96 ASP H . . 4.830 3.781 3.647 4.171 . 0 0 "[ . 1 . 2]" 1
1523 1 93 VAL HB 1 94 LEU H . . 3.580 2.732 2.672 2.856 . 0 0 "[ . 1 . 2]" 1
1524 1 93 VAL HB 1 94 LEU QD . . 4.260 3.434 3.069 3.937 . 0 0 "[ . 1 . 2]" 1
1525 1 93 VAL HB 1 95 GLU H . . 5.500 4.986 4.814 5.079 . 0 0 "[ . 1 . 2]" 1
1526 1 93 VAL QG 1 94 LEU H . . 3.570 3.301 3.255 3.350 . 0 0 "[ . 1 . 2]" 1
1527 1 93 VAL QG 1 94 LEU HA . . 4.570 3.565 3.417 3.781 . 0 0 "[ . 1 . 2]" 1
1528 1 93 VAL QG 1 94 LEU QD . . 5.120 3.136 2.656 3.666 . 0 0 "[ . 1 . 2]" 1
1529 1 93 VAL QG 1 94 LEU HG . . 4.810 3.744 3.442 3.978 . 0 0 "[ . 1 . 2]" 1
1530 1 93 VAL QG 1 95 GLU H . . 5.310 4.612 4.381 4.686 . 0 0 "[ . 1 . 2]" 1
1531 1 93 VAL MG1 1 94 LEU H . . 4.210 3.613 3.509 3.746 . 0 0 "[ . 1 . 2]" 1
1532 1 93 VAL MG2 1 94 LEU H . . 4.210 3.825 3.716 3.951 . 0 0 "[ . 1 . 2]" 1
1533 1 94 LEU H 1 94 LEU HB2 . . 3.160 2.494 2.391 2.559 . 0 0 "[ . 1 . 2]" 1
1534 1 94 LEU H 1 94 LEU HB3 . . 3.650 3.604 3.589 3.612 . 0 0 "[ . 1 . 2]" 1
1535 1 94 LEU H 1 94 LEU MD1 . . 4.030 3.534 2.923 3.773 . 0 0 "[ . 1 . 2]" 1
1536 1 94 LEU H 1 94 LEU QD . . 3.120 3.025 2.858 3.107 . 0 0 "[ . 1 . 2]" 1
1537 1 94 LEU H 1 94 LEU MD2 . . 4.030 3.419 3.062 4.028 . 0 0 "[ . 1 . 2]" 1
1538 1 94 LEU H 1 94 LEU HG . . 2.990 2.361 2.214 2.660 . 0 0 "[ . 1 . 2]" 1
1539 1 94 LEU H 1 95 GLU HB3 . . 4.730 4.627 4.503 4.682 . 0 0 "[ . 1 . 2]" 1
1540 1 94 LEU H 1 95 GLU HG2 . . 5.490 4.441 3.973 5.194 . 0 0 "[ . 1 . 2]" 1
1541 1 94 LEU H 1 95 GLU HG3 . . 5.440 5.087 4.347 5.553 0.113 12 0 "[ . 1 . 2]" 1
1542 1 94 LEU H 1 96 ASP H . . 4.870 3.965 3.829 4.218 . 0 0 "[ . 1 . 2]" 1
1543 1 94 LEU HA 1 94 LEU QD . . 3.920 2.247 2.053 2.642 . 0 0 "[ . 1 . 2]" 1
1544 1 94 LEU HB2 1 95 GLU H . . 3.870 2.771 2.675 3.156 . 0 0 "[ . 1 . 2]" 1
1545 1 94 LEU HB2 1 95 GLU HA . . 4.370 4.263 4.183 4.375 0.005 13 0 "[ . 1 . 2]" 1
1546 1 94 LEU HB3 1 95 GLU H . . 4.240 3.825 3.674 4.135 . 0 0 "[ . 1 . 2]" 1
1547 1 94 LEU QD 1 95 GLU H . . 4.570 4.098 3.943 4.267 . 0 0 "[ . 1 . 2]" 1
1548 1 94 LEU QD 1 96 ASP H . . 5.440 5.170 4.912 5.418 . 0 0 "[ . 1 . 2]" 1
1549 1 94 LEU HG 1 95 GLU H . . 4.700 4.322 4.159 4.548 . 0 0 "[ . 1 . 2]" 1
1550 1 95 GLU H 1 95 GLU HB2 . . 3.630 3.593 3.555 3.660 0.030 13 0 "[ . 1 . 2]" 1
1551 1 95 GLU H 1 95 GLU HB3 . . 3.010 2.431 2.305 2.577 . 0 0 "[ . 1 . 2]" 1
1552 1 95 GLU H 1 95 GLU HG2 . . 3.790 2.701 2.323 3.445 . 0 0 "[ . 1 . 2]" 1
1553 1 95 GLU H 1 95 GLU HG3 . . 3.650 3.142 2.531 3.487 . 0 0 "[ . 1 . 2]" 1
1554 1 95 GLU H 1 96 ASP H . . 3.510 2.592 2.501 2.772 . 0 0 "[ . 1 . 2]" 1
1555 1 95 GLU HA 1 95 GLU HG3 . . 3.850 3.648 3.600 3.684 . 0 0 "[ . 1 . 2]" 1
1556 1 95 GLU HB2 1 96 ASP H . . 4.760 4.120 3.937 4.519 . 0 0 "[ . 1 . 2]" 1
1557 1 95 GLU HB2 1 96 ASP QB . . 4.820 4.558 3.882 4.866 0.046 19 0 "[ . 1 . 2]" 1
1558 1 95 GLU HB3 1 96 ASP H . . 4.290 4.002 3.876 4.412 0.122 12 0 "[ . 1 . 2]" 1
1559 1 95 GLU HG3 1 96 ASP H . . 3.820 2.626 2.051 3.772 . 0 0 "[ . 1 . 2]" 1
1560 1 95 GLU HG3 1 96 ASP QB . . 3.790 2.851 2.288 4.027 0.237 13 0 "[ . 1 . 2]" 1
1561 1 96 ASP H 1 96 ASP HB2 . . 3.590 3.035 2.594 3.685 0.095 19 0 "[ . 1 . 2]" 1
1562 1 96 ASP H 1 96 ASP QB . . 3.040 2.650 2.380 3.057 0.017 19 0 "[ . 1 . 2]" 1
1563 1 96 ASP H 1 96 ASP HB3 . . 3.590 2.991 2.507 3.717 0.127 20 0 "[ . 1 . 2]" 1
stop_
save_