NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
479611 |
2km6   |
16263 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2km6
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 1619
_Distance_constraint_stats_list.Viol_count 3033
_Distance_constraint_stats_list.Viol_total 2724.272
_Distance_constraint_stats_list.Viol_max 0.308
_Distance_constraint_stats_list.Viol_rms 0.0180
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0449
_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 3 MET 0.674 0.101 17 0 "[ . 1 . 2]"
1 4 THR 2.710 0.243 7 0 "[ . 1 . 2]"
1 5 SER 1.202 0.218 14 0 "[ . 1 . 2]"
1 6 PRO 0.378 0.060 13 0 "[ . 1 . 2]"
1 7 GLN 1.687 0.123 14 0 "[ . 1 . 2]"
1 8 LEU 3.316 0.129 5 0 "[ . 1 . 2]"
1 9 GLU 2.591 0.183 12 0 "[ . 1 . 2]"
1 10 TRP 4.448 0.165 3 0 "[ . 1 . 2]"
1 11 THR 2.164 0.120 12 0 "[ . 1 . 2]"
1 12 LEU 3.657 0.182 9 0 "[ . 1 . 2]"
1 13 GLN 2.809 0.165 3 0 "[ . 1 . 2]"
1 14 THR 2.567 0.109 5 0 "[ . 1 . 2]"
1 15 LEU 5.155 0.205 9 0 "[ . 1 . 2]"
1 16 LEU 3.627 0.090 1 0 "[ . 1 . 2]"
1 17 GLU 1.868 0.084 13 0 "[ . 1 . 2]"
1 18 GLN 1.211 0.083 8 0 "[ . 1 . 2]"
1 19 LEU 7.693 0.190 18 0 "[ . 1 . 2]"
1 20 ASN 5.668 0.142 9 0 "[ . 1 . 2]"
1 21 GLU 1.020 0.260 5 0 "[ . 1 . 2]"
1 22 ASP 1.761 0.260 5 0 "[ . 1 . 2]"
1 23 GLU 5.296 0.189 11 0 "[ . 1 . 2]"
1 24 LEU 0.664 0.069 4 0 "[ . 1 . 2]"
1 25 LYS 3.732 0.308 17 0 "[ . 1 . 2]"
1 26 SER 5.340 0.144 2 0 "[ . 1 . 2]"
1 27 PHE 2.858 0.121 20 0 "[ . 1 . 2]"
1 28 LYS 0.363 0.033 4 0 "[ . 1 . 2]"
1 29 SER 6.655 0.144 5 0 "[ . 1 . 2]"
1 30 LEU 4.691 0.135 14 0 "[ . 1 . 2]"
1 31 LEU 4.664 0.092 20 0 "[ . 1 . 2]"
1 32 TRP 4.414 0.145 15 0 "[ . 1 . 2]"
1 33 ALA 0.090 0.042 11 0 "[ . 1 . 2]"
1 34 PHE 5.354 0.114 6 0 "[ . 1 . 2]"
1 35 PRO 0.966 0.088 15 0 "[ . 1 . 2]"
1 36 LEU 4.647 0.166 17 0 "[ . 1 . 2]"
1 37 GLU 2.322 0.166 17 0 "[ . 1 . 2]"
1 38 ASP 0.302 0.134 8 0 "[ . 1 . 2]"
1 39 VAL 1.388 0.199 9 0 "[ . 1 . 2]"
1 40 LEU 1.182 0.092 4 0 "[ . 1 . 2]"
1 41 GLN 0.906 0.129 10 0 "[ . 1 . 2]"
1 42 LYS 1.135 0.121 9 0 "[ . 1 . 2]"
1 43 THR 1.699 0.122 3 0 "[ . 1 . 2]"
1 44 PRO 2.522 0.122 3 0 "[ . 1 . 2]"
1 45 TRP 4.796 0.128 9 0 "[ . 1 . 2]"
1 46 SER 0.781 0.091 17 0 "[ . 1 . 2]"
1 47 GLU 0.336 0.068 15 0 "[ . 1 . 2]"
1 48 VAL 4.531 0.128 9 0 "[ . 1 . 2]"
1 49 GLU 7.011 0.286 19 0 "[ . 1 . 2]"
1 50 GLU 2.985 0.286 19 0 "[ . 1 . 2]"
1 51 ALA 2.703 0.082 20 0 "[ . 1 . 2]"
1 52 ASP 2.134 0.082 20 0 "[ . 1 . 2]"
1 53 GLY 4.525 0.190 18 0 "[ . 1 . 2]"
1 54 LYS 5.595 0.256 16 0 "[ . 1 . 2]"
1 55 LYS 6.272 0.193 18 0 "[ . 1 . 2]"
1 56 LEU 2.355 0.112 10 0 "[ . 1 . 2]"
1 57 ALA 0.867 0.068 6 0 "[ . 1 . 2]"
1 58 GLU 1.161 0.087 2 0 "[ . 1 . 2]"
1 59 ILE 4.514 0.152 16 0 "[ . 1 . 2]"
1 60 LEU 1.400 0.075 15 0 "[ . 1 . 2]"
1 61 VAL 1.760 0.087 2 0 "[ . 1 . 2]"
1 62 ASN 1.488 0.101 16 0 "[ . 1 . 2]"
1 63 THR 1.267 0.092 4 0 "[ . 1 . 2]"
1 64 SER 0.342 0.075 13 0 "[ . 1 . 2]"
1 65 SER 0.607 0.089 20 0 "[ . 1 . 2]"
1 66 GLU 1.102 0.084 14 0 "[ . 1 . 2]"
1 67 ASN 1.386 0.104 3 0 "[ . 1 . 2]"
1 68 TRP 0.968 0.083 9 0 "[ . 1 . 2]"
1 69 ILE 0.866 0.111 8 0 "[ . 1 . 2]"
1 70 ARG 1.143 0.104 3 0 "[ . 1 . 2]"
1 71 ASN 0.401 0.057 10 0 "[ . 1 . 2]"
1 72 ALA 1.224 0.116 8 0 "[ . 1 . 2]"
1 73 THR 4.012 0.204 8 0 "[ . 1 . 2]"
1 74 VAL 1.445 0.088 15 0 "[ . 1 . 2]"
1 75 ASN 2.280 0.105 19 0 "[ . 1 . 2]"
1 76 ILE 4.530 0.160 4 0 "[ . 1 . 2]"
1 77 LEU 3.659 0.234 5 0 "[ . 1 . 2]"
1 78 GLU 1.375 0.105 19 0 "[ . 1 . 2]"
1 79 GLU 1.822 0.090 12 0 "[ . 1 . 2]"
1 80 MET 0.741 0.085 6 0 "[ . 1 . 2]"
1 81 ASN 0.757 0.104 5 0 "[ . 1 . 2]"
1 82 LEU 3.401 0.234 5 0 "[ . 1 . 2]"
1 83 THR 3.294 0.145 16 0 "[ . 1 . 2]"
1 84 GLU 2.798 0.112 8 0 "[ . 1 . 2]"
1 85 LEU 0.585 0.134 20 0 "[ . 1 . 2]"
1 86 CYS 3.484 0.205 9 0 "[ . 1 . 2]"
1 87 LYS 4.739 0.112 8 0 "[ . 1 . 2]"
1 88 MET 1.747 0.134 20 0 "[ . 1 . 2]"
1 89 ALA 4.876 0.141 11 0 "[ . 1 . 2]"
1 90 LYS 1.142 0.116 4 0 "[ . 1 . 2]"
1 91 ALA 4.380 0.123 11 0 "[ . 1 . 2]"
1 92 GLU 6.593 0.163 10 0 "[ . 1 . 2]"
1 93 MET 4.785 0.182 9 0 "[ . 1 . 2]"
1 94 MET 1.326 0.122 11 0 "[ . 1 . 2]"
1 95 GLU 1.497 0.234 4 0 "[ . 1 . 2]"
1 96 ASP 1.424 0.234 4 0 "[ . 1 . 2]"
1 97 GLY 0.297 0.075 9 0 "[ . 1 . 2]"
1 98 GLN 0.276 0.075 9 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 3 MET H 1 3 MET QB 3.580 . 3.580 2.805 2.308 3.422 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET H 1 3 MET QG 4.280 . 4.280 3.736 2.066 4.280 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET HA 1 3 MET HG2 3.710 . 3.710 3.135 2.576 3.725 0.015 3 0 "[ . 1 . 2]" 1
4 1 3 MET HA 1 3 MET QG 2.870 . 2.870 2.534 2.409 2.950 0.080 18 0 "[ . 1 . 2]" 1
5 1 3 MET HA 1 3 MET HG3 3.710 . 3.710 2.786 2.460 3.748 0.038 18 0 "[ . 1 . 2]" 1
6 1 3 MET HA 1 4 THR MG 5.500 . 5.500 4.413 3.663 5.454 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET QB 1 4 THR H 4.020 . 4.020 2.670 1.777 3.953 0.023 18 0 "[ . 1 . 2]" 1
8 1 3 MET QG 1 4 THR H 3.770 . 3.770 3.125 1.975 3.771 0.001 4 0 "[ . 1 . 2]" 1
9 1 3 MET HG2 1 4 THR H 4.450 . 4.450 3.558 2.023 4.551 0.101 8 0 "[ . 1 . 2]" 1
10 1 3 MET HG3 1 4 THR H 4.450 . 4.450 3.706 2.558 4.551 0.101 17 0 "[ . 1 . 2]" 1
11 1 4 THR H 1 4 THR HB 3.650 . 3.650 3.505 2.829 3.893 0.243 7 0 "[ . 1 . 2]" 1
12 1 4 THR HA 1 4 THR MG 3.350 . 3.350 2.259 2.172 2.374 . 0 0 "[ . 1 . 2]" 1
13 1 4 THR HA 1 5 SER H 2.630 . 2.630 2.221 2.041 2.582 . 0 0 "[ . 1 . 2]" 1
14 1 4 THR HA 1 8 LEU H 5.500 . 5.500 5.180 4.946 5.582 0.082 13 0 "[ . 1 . 2]" 1
15 1 4 THR HB 1 5 SER H 3.070 . 3.070 3.016 1.975 3.288 0.218 14 0 "[ . 1 . 2]" 1
16 1 4 THR HB 1 6 PRO QD 2.850 . 2.850 2.456 1.984 2.819 . 0 0 "[ . 1 . 2]" 1
17 1 4 THR HB 1 6 PRO QG 5.500 . 5.500 3.690 2.117 4.681 . 0 0 "[ . 1 . 2]" 1
18 1 4 THR HB 1 7 GLN HA 5.500 . 5.500 5.431 4.616 5.623 0.123 14 0 "[ . 1 . 2]" 1
19 1 4 THR MG 1 5 SER H 5.500 . 5.500 3.448 1.813 3.792 . 0 0 "[ . 1 . 2]" 1
20 1 4 THR MG 1 6 PRO QD 5.500 . 5.500 3.492 2.112 3.997 . 0 0 "[ . 1 . 2]" 1
21 1 4 THR MG 1 7 GLN QB 5.500 . 5.500 3.863 2.613 4.744 . 0 0 "[ . 1 . 2]" 1
22 1 4 THR MG 1 7 GLN QG 5.500 . 5.500 4.128 2.401 5.475 . 0 0 "[ . 1 . 2]" 1
23 1 5 SER H 1 5 SER QB 3.160 . 3.160 2.501 2.228 2.779 . 0 0 "[ . 1 . 2]" 1
24 1 5 SER H 1 6 PRO QD 3.190 . 3.190 2.309 1.983 2.689 . 0 0 "[ . 1 . 2]" 1
25 1 5 SER HA 1 8 LEU HB2 5.350 . 5.350 3.069 2.186 3.693 . 0 0 "[ . 1 . 2]" 1
26 1 5 SER HA 1 8 LEU HB3 4.230 . 4.230 2.617 2.099 3.249 . 0 0 "[ . 1 . 2]" 1
27 1 5 SER QB 1 6 PRO QD 5.340 . 5.340 2.264 1.894 3.120 . 0 0 "[ . 1 . 2]" 1
28 1 5 SER QB 1 8 LEU QD 5.280 . 5.280 4.278 3.367 5.013 . 0 0 "[ . 1 . 2]" 1
29 1 5 SER HB2 1 8 LEU HB3 5.500 . 5.500 5.081 4.196 5.527 0.027 3 0 "[ . 1 . 2]" 1
30 1 5 SER HB3 1 8 LEU HB3 5.500 . 5.500 4.862 4.062 5.450 . 0 0 "[ . 1 . 2]" 1
31 1 6 PRO HA 1 7 GLN QB 5.500 . 5.500 5.490 5.419 5.536 0.036 16 0 "[ . 1 . 2]" 1
32 1 6 PRO HA 1 8 LEU H 5.500 . 5.500 4.421 3.804 4.695 . 0 0 "[ . 1 . 2]" 1
33 1 6 PRO HA 1 9 GLU H 4.350 . 4.350 3.957 3.563 4.410 0.060 13 0 "[ . 1 . 2]" 1
34 1 6 PRO HA 1 10 TRP H 5.500 . 5.500 4.155 3.876 4.900 . 0 0 "[ . 1 . 2]" 1
35 1 6 PRO HB2 1 7 GLN HA 4.130 . 4.130 3.861 3.718 4.165 0.035 15 0 "[ . 1 . 2]" 1
36 1 6 PRO HB3 1 7 GLN QE 5.340 . 5.340 4.183 3.241 5.391 0.051 10 0 "[ . 1 . 2]" 1
37 1 6 PRO QD 1 7 GLN H 3.650 . 3.650 2.712 2.281 3.364 . 0 0 "[ . 1 . 2]" 1
38 1 6 PRO QG 1 7 GLN H 5.500 . 5.500 3.212 2.208 3.856 . 0 0 "[ . 1 . 2]" 1
39 1 7 GLN HA 1 7 GLN QB 2.550 . 2.550 2.418 2.365 2.474 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLN HA 1 7 GLN QE 5.340 . 5.340 3.345 2.195 4.875 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLN HA 1 7 GLN QG 2.670 . 2.670 2.492 2.326 2.750 0.080 13 0 "[ . 1 . 2]" 1
42 1 7 GLN HA 1 10 TRP H 5.500 . 5.500 3.300 2.861 3.624 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLN HA 1 10 TRP HB2 3.560 . 3.560 3.014 2.639 3.305 . 0 0 "[ . 1 . 2]" 1
44 1 7 GLN HA 1 10 TRP HB3 2.930 . 2.930 2.046 1.837 2.222 . 0 0 "[ . 1 . 2]" 1
45 1 7 GLN HA 1 10 TRP HD1 5.320 . 5.320 5.319 5.143 5.420 0.100 9 0 "[ . 1 . 2]" 1
46 1 7 GLN HA 1 10 TRP HE3 4.090 . 4.090 3.378 2.524 3.858 . 0 0 "[ . 1 . 2]" 1
47 1 7 GLN QB 1 7 GLN QG 2.400 . 2.400 2.012 1.985 2.084 . 0 0 "[ . 1 . 2]" 1
48 1 7 GLN QB 1 10 TRP HB3 4.150 . 4.150 3.786 3.491 4.012 . 0 0 "[ . 1 . 2]" 1
49 1 7 GLN QB 1 10 TRP HE3 4.260 . 4.260 3.540 2.744 4.103 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLN QG 1 10 TRP HE3 4.670 . 4.670 4.248 3.346 4.680 0.010 16 0 "[ . 1 . 2]" 1
51 1 8 LEU H 1 8 LEU HB2 2.880 . 2.880 2.424 2.116 2.776 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU H 1 8 LEU HB3 3.170 . 3.170 2.454 2.234 2.709 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU H 1 9 GLU HA 5.500 . 5.500 5.351 5.170 5.545 0.045 13 0 "[ . 1 . 2]" 1
54 1 8 LEU HA 1 8 LEU HB2 2.570 . 2.570 2.466 2.289 2.568 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU HA 1 8 LEU QD 2.870 . 2.870 2.381 1.949 2.905 0.035 6 0 "[ . 1 . 2]" 1
56 1 8 LEU HA 1 8 LEU HG 4.140 . 4.140 3.368 2.612 3.862 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU HA 1 9 GLU QB 5.500 . 5.500 5.137 5.046 5.202 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU HA 1 10 TRP H 5.500 . 5.500 4.457 4.236 4.629 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU HB2 1 66 GLU HB3 5.500 . 5.500 4.658 3.051 5.512 0.012 12 0 "[ . 1 . 2]" 1
60 1 8 LEU HB3 1 8 LEU HG 2.850 . 2.850 2.607 2.406 2.972 0.122 6 0 "[ . 1 . 2]" 1
61 1 8 LEU HB3 1 9 GLU H 3.460 . 3.460 2.173 1.854 2.440 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU QD 1 9 GLU HA 3.160 . 3.160 2.932 2.555 3.289 0.129 5 0 "[ . 1 . 2]" 1
63 1 8 LEU QD 1 9 GLU QB 3.040 . 3.040 3.115 3.067 3.167 0.127 4 0 "[ . 1 . 2]" 1
64 1 8 LEU QD 1 9 GLU HG3 5.440 . 5.440 4.273 3.930 4.707 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU QD 1 66 GLU HB2 3.010 . 3.010 2.169 1.783 2.936 0.017 8 0 "[ . 1 . 2]" 1
66 1 8 LEU QD 1 66 GLU HB3 5.440 . 5.440 2.242 1.801 3.112 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU QD 1 66 GLU QG 3.410 . 3.410 3.121 2.377 3.449 0.039 9 0 "[ . 1 . 2]" 1
68 1 8 LEU QD 1 69 ILE MD 5.440 . 5.440 2.681 2.058 3.476 . 0 0 "[ . 1 . 2]" 1
69 1 8 LEU QD 1 93 MET HG3 5.440 . 5.440 4.170 2.858 5.285 . 0 0 "[ . 1 . 2]" 1
70 1 8 LEU MD1 1 66 GLU HA 5.500 . 5.500 3.078 2.120 4.087 . 0 0 "[ . 1 . 2]" 1
71 1 8 LEU MD1 1 66 GLU QG 3.930 . 3.930 3.633 2.397 4.014 0.084 14 0 "[ . 1 . 2]" 1
72 1 8 LEU MD2 1 66 GLU HA 5.500 . 5.500 3.384 2.505 4.449 . 0 0 "[ . 1 . 2]" 1
73 1 8 LEU MD2 1 66 GLU QG 3.930 . 3.930 3.590 2.557 3.997 0.067 19 0 "[ . 1 . 2]" 1
74 1 8 LEU HG 1 66 GLU HB2 5.500 . 5.500 3.337 1.859 5.337 . 0 0 "[ . 1 . 2]" 1
75 1 9 GLU HA 1 9 GLU QB 2.510 . 2.510 2.360 2.305 2.429 . 0 0 "[ . 1 . 2]" 1
76 1 9 GLU HA 1 9 GLU HG2 3.190 . 3.190 2.917 2.285 3.116 . 0 0 "[ . 1 . 2]" 1
77 1 9 GLU HA 1 9 GLU QG 3.410 . 3.410 2.445 2.250 2.512 . 0 0 "[ . 1 . 2]" 1
78 1 9 GLU HA 1 9 GLU HG3 3.190 . 3.190 2.669 2.496 3.373 0.183 12 0 "[ . 1 . 2]" 1
79 1 9 GLU HA 1 10 TRP HA 5.500 . 5.500 4.834 4.766 4.901 . 0 0 "[ . 1 . 2]" 1
80 1 9 GLU HA 1 12 LEU HB2 3.420 . 3.420 2.705 2.292 3.080 . 0 0 "[ . 1 . 2]" 1
81 1 9 GLU HA 1 12 LEU HB3 5.500 . 5.500 4.222 3.830 4.611 . 0 0 "[ . 1 . 2]" 1
82 1 9 GLU HA 1 12 LEU QD 5.500 . 5.500 2.324 1.911 2.675 . 0 0 "[ . 1 . 2]" 1
83 1 9 GLU HA 1 61 VAL QG 5.440 . 5.440 3.342 2.725 3.954 . 0 0 "[ . 1 . 2]" 1
84 1 9 GLU QG 1 10 TRP HA 5.370 . 5.370 4.155 3.798 4.804 . 0 0 "[ . 1 . 2]" 1
85 1 9 GLU HG2 1 10 TRP HA 5.500 . 5.500 4.265 3.871 5.031 . 0 0 "[ . 1 . 2]" 1
86 1 9 GLU HG2 1 12 LEU HB2 5.500 . 5.500 4.020 3.241 4.512 . 0 0 "[ . 1 . 2]" 1
87 1 9 GLU HG3 1 12 LEU HB2 5.500 . 5.500 4.202 3.749 4.872 . 0 0 "[ . 1 . 2]" 1
88 1 9 GLU HG3 1 12 LEU QD 5.500 . 5.500 3.479 2.912 4.098 . 0 0 "[ . 1 . 2]" 1
89 1 9 GLU HG3 1 61 VAL MG1 3.440 . 3.440 2.850 2.091 3.373 . 0 0 "[ . 1 . 2]" 1
90 1 9 GLU HG3 1 61 VAL QG 2.970 . 2.970 2.649 2.067 2.983 0.013 6 0 "[ . 1 . 2]" 1
91 1 9 GLU HG3 1 61 VAL MG2 3.440 . 3.440 3.290 2.710 3.513 0.073 17 0 "[ . 1 . 2]" 1
92 1 10 TRP H 1 10 TRP HB3 2.890 . 2.890 2.449 2.273 2.533 . 0 0 "[ . 1 . 2]" 1
93 1 10 TRP HA 1 10 TRP HB2 2.680 . 2.680 2.411 2.352 2.431 . 0 0 "[ . 1 . 2]" 1
94 1 10 TRP HA 1 10 TRP HD1 3.390 . 3.390 3.179 3.061 3.340 . 0 0 "[ . 1 . 2]" 1
95 1 10 TRP HA 1 10 TRP HE3 5.000 . 5.000 4.704 4.634 4.778 . 0 0 "[ . 1 . 2]" 1
96 1 10 TRP HA 1 13 GLN H 3.970 . 3.970 3.522 3.394 3.639 . 0 0 "[ . 1 . 2]" 1
97 1 10 TRP HA 1 13 GLN QB 3.580 . 3.580 3.637 3.286 3.745 0.165 3 0 "[ . 1 . 2]" 1
98 1 10 TRP HA 1 13 GLN QG 3.020 . 3.020 1.894 1.790 2.121 0.010 4 0 "[ . 1 . 2]" 1
99 1 10 TRP HA 1 14 THR H 5.500 . 5.500 3.855 3.767 3.967 . 0 0 "[ . 1 . 2]" 1
100 1 10 TRP HB2 1 10 TRP HD1 3.430 . 3.430 2.724 2.652 2.786 . 0 0 "[ . 1 . 2]" 1
101 1 10 TRP HB2 1 10 TRP HE3 4.140 . 4.140 4.068 4.020 4.110 . 0 0 "[ . 1 . 2]" 1
102 1 10 TRP HB2 1 11 THR H 4.220 . 4.220 3.962 3.853 4.149 . 0 0 "[ . 1 . 2]" 1
103 1 10 TRP HB2 1 13 GLN QG 4.600 . 4.600 4.087 3.898 4.259 . 0 0 "[ . 1 . 2]" 1
104 1 10 TRP HB3 1 10 TRP HD1 3.890 . 3.890 3.841 3.782 3.883 . 0 0 "[ . 1 . 2]" 1
105 1 10 TRP HB3 1 10 TRP HE3 3.770 . 3.770 2.513 2.462 2.565 . 0 0 "[ . 1 . 2]" 1
106 1 10 TRP HB3 1 11 THR H 3.190 . 3.190 2.594 2.456 2.852 . 0 0 "[ . 1 . 2]" 1
107 1 10 TRP HD1 1 13 GLN QG 4.340 . 4.340 3.727 3.449 3.861 . 0 0 "[ . 1 . 2]" 1
108 1 10 TRP HD1 1 14 THR MG 5.290 . 5.290 5.340 5.300 5.399 0.109 5 0 "[ . 1 . 2]" 1
109 1 10 TRP HE3 1 11 THR HA 3.770 . 3.770 2.980 2.828 3.280 . 0 0 "[ . 1 . 2]" 1
110 1 10 TRP HE3 1 11 THR MG 4.250 . 4.250 3.774 3.452 4.162 . 0 0 "[ . 1 . 2]" 1
111 1 10 TRP HE3 1 14 THR MG 5.410 . 5.410 5.401 5.286 5.452 0.042 6 0 "[ . 1 . 2]" 1
112 1 10 TRP HH2 1 14 THR MG 3.960 . 3.960 3.953 3.698 3.999 0.039 18 0 "[ . 1 . 2]" 1
113 1 10 TRP HH2 1 92 GLU HG2 5.500 . 5.500 5.243 4.660 5.561 0.061 4 0 "[ . 1 . 2]" 1
114 1 10 TRP HH2 1 92 GLU HG3 5.500 . 5.500 5.071 4.011 5.598 0.098 20 0 "[ . 1 . 2]" 1
115 1 10 TRP HZ2 1 14 THR MG 4.340 . 4.340 3.373 3.113 3.515 . 0 0 "[ . 1 . 2]" 1
116 1 10 TRP HZ3 1 11 THR HA 4.440 . 4.440 3.656 3.459 3.883 . 0 0 "[ . 1 . 2]" 1
117 1 10 TRP HZ3 1 14 THR HB 5.500 . 5.500 5.313 5.077 5.486 . 0 0 "[ . 1 . 2]" 1
118 1 10 TRP HZ3 1 14 THR MG 5.340 . 5.340 4.940 4.763 4.993 . 0 0 "[ . 1 . 2]" 1
119 1 10 TRP HZ3 1 92 GLU HG2 5.500 . 5.500 4.550 3.713 5.285 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR H 1 11 THR HB 2.990 . 2.990 2.708 2.537 2.831 . 0 0 "[ . 1 . 2]" 1
121 1 11 THR HA 1 11 THR MG 2.670 . 2.670 2.287 2.185 2.406 . 0 0 "[ . 1 . 2]" 1
122 1 11 THR HA 1 12 LEU HB2 5.500 . 5.500 5.557 5.537 5.573 0.073 5 0 "[ . 1 . 2]" 1
123 1 11 THR HA 1 14 THR H 5.500 . 5.500 3.585 3.463 3.707 . 0 0 "[ . 1 . 2]" 1
124 1 11 THR HA 1 14 THR HB 5.500 . 5.500 2.822 2.565 2.935 . 0 0 "[ . 1 . 2]" 1
125 1 11 THR HA 1 14 THR MG 4.080 . 4.080 4.072 3.844 4.137 0.057 4 0 "[ . 1 . 2]" 1
126 1 11 THR HB 1 12 LEU H 2.850 . 2.850 2.641 2.480 2.834 . 0 0 "[ . 1 . 2]" 1
127 1 11 THR HB 1 12 LEU QD 4.610 . 4.610 3.790 2.461 4.170 . 0 0 "[ . 1 . 2]" 1
128 1 11 THR HB 1 12 LEU HG 4.720 . 4.720 3.692 3.337 4.756 0.036 3 0 "[ . 1 . 2]" 1
129 1 11 THR HB 1 73 THR MG 5.500 . 5.500 5.394 5.098 5.568 0.068 15 0 "[ . 1 . 2]" 1
130 1 11 THR HB 1 93 MET HB2 5.500 . 5.500 4.005 2.707 4.994 . 0 0 "[ . 1 . 2]" 1
131 1 11 THR HB 1 93 MET HG2 3.360 . 3.360 2.622 1.905 3.480 0.120 12 0 "[ . 1 . 2]" 1
132 1 11 THR HB 1 93 MET HG3 5.140 . 5.140 2.788 1.829 3.604 . 0 0 "[ . 1 . 2]" 1
133 1 11 THR MG 1 12 LEU H 3.910 . 3.910 3.637 3.449 3.777 . 0 0 "[ . 1 . 2]" 1
134 1 11 THR MG 1 12 LEU HA 4.230 . 4.230 3.763 3.497 3.970 . 0 0 "[ . 1 . 2]" 1
135 1 11 THR MG 1 14 THR HB 4.060 . 4.060 3.838 3.612 4.005 . 0 0 "[ . 1 . 2]" 1
136 1 11 THR MG 1 15 LEU MD1 3.060 . 3.060 2.582 2.067 3.074 0.014 4 0 "[ . 1 . 2]" 1
137 1 11 THR MG 1 15 LEU MD2 5.500 . 5.500 3.471 3.027 3.902 . 0 0 "[ . 1 . 2]" 1
138 1 11 THR MG 1 15 LEU HG 3.980 . 3.980 3.115 2.730 3.558 . 0 0 "[ . 1 . 2]" 1
139 1 11 THR MG 1 89 ALA HA 5.500 . 5.500 2.821 2.111 3.572 . 0 0 "[ . 1 . 2]" 1
140 1 11 THR MG 1 92 GLU HB2 2.740 . 2.740 2.238 2.034 2.521 . 0 0 "[ . 1 . 2]" 1
141 1 11 THR MG 1 92 GLU HB3 3.830 . 3.830 2.260 1.842 2.767 . 0 0 "[ . 1 . 2]" 1
142 1 11 THR MG 1 93 MET H 4.090 . 4.090 2.681 2.298 3.142 . 0 0 "[ . 1 . 2]" 1
143 1 11 THR MG 1 93 MET HA 5.500 . 5.500 3.172 2.498 4.088 . 0 0 "[ . 1 . 2]" 1
144 1 11 THR MG 1 93 MET HB2 3.740 . 3.740 2.704 1.926 3.580 . 0 0 "[ . 1 . 2]" 1
145 1 11 THR MG 1 93 MET HG3 3.230 . 3.230 2.796 2.076 3.162 . 0 0 "[ . 1 . 2]" 1
146 1 12 LEU H 1 12 LEU HB3 3.570 . 3.570 3.540 3.517 3.572 0.002 8 0 "[ . 1 . 2]" 1
147 1 12 LEU H 1 12 LEU QD 3.470 . 3.470 3.041 2.088 3.194 . 0 0 "[ . 1 . 2]" 1
148 1 12 LEU H 1 12 LEU HG 3.730 . 3.730 2.436 2.272 3.725 . 0 0 "[ . 1 . 2]" 1
149 1 12 LEU HA 1 12 LEU HB3 2.970 . 2.970 2.548 2.514 2.626 . 0 0 "[ . 1 . 2]" 1
150 1 12 LEU HA 1 12 LEU QD 3.000 . 3.000 2.040 1.922 2.700 . 0 0 "[ . 1 . 2]" 1
151 1 12 LEU HA 1 12 LEU HG 3.220 . 3.220 3.028 2.516 3.221 0.001 4 0 "[ . 1 . 2]" 1
152 1 12 LEU HA 1 15 LEU H 4.050 . 4.050 3.816 3.646 4.014 . 0 0 "[ . 1 . 2]" 1
153 1 12 LEU HA 1 15 LEU MD1 3.110 . 3.110 2.480 2.190 2.846 . 0 0 "[ . 1 . 2]" 1
154 1 12 LEU HA 1 16 LEU QD 5.440 . 5.440 3.741 3.126 4.087 . 0 0 "[ . 1 . 2]" 1
155 1 12 LEU HA 1 93 MET HB2 5.500 . 5.500 5.555 5.330 5.639 0.139 7 0 "[ . 1 . 2]" 1
156 1 12 LEU HA 1 93 MET HG3 4.790 . 4.790 4.055 3.444 4.876 0.086 9 0 "[ . 1 . 2]" 1
157 1 12 LEU HB2 1 16 LEU QD 5.440 . 5.440 4.161 4.031 4.370 . 0 0 "[ . 1 . 2]" 1
158 1 12 LEU HB3 1 13 GLN HA 4.930 . 4.930 4.063 3.932 4.146 . 0 0 "[ . 1 . 2]" 1
159 1 12 LEU HB3 1 15 LEU MD1 5.500 . 5.500 4.602 4.142 5.074 . 0 0 "[ . 1 . 2]" 1
160 1 12 LEU HB3 1 57 ALA MB 2.490 . 2.490 2.182 1.927 2.462 . 0 0 "[ . 1 . 2]" 1
161 1 12 LEU HB3 1 60 LEU HB2 5.500 . 5.500 4.592 4.392 4.814 . 0 0 "[ . 1 . 2]" 1
162 1 12 LEU QD 1 16 LEU QD 3.350 . 3.350 3.222 2.788 3.416 0.066 3 0 "[ . 1 . 2]" 1
163 1 12 LEU QD 1 57 ALA HA 3.050 . 3.050 2.991 2.539 3.118 0.068 6 0 "[ . 1 . 2]" 1
164 1 12 LEU QD 1 57 ALA MB 3.140 . 3.140 2.612 2.374 2.751 . 0 0 "[ . 1 . 2]" 1
165 1 12 LEU QD 1 60 LEU HB2 5.500 . 5.500 2.872 2.337 3.275 . 0 0 "[ . 1 . 2]" 1
166 1 12 LEU QD 1 93 MET HA 5.500 . 5.500 5.220 4.953 5.682 0.182 9 0 "[ . 1 . 2]" 1
167 1 12 LEU HG 1 69 ILE MD 5.500 . 5.500 4.664 4.200 5.109 . 0 0 "[ . 1 . 2]" 1
168 1 12 LEU HG 1 69 ILE MG 5.500 . 5.500 3.748 2.928 4.036 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLN H 1 13 GLN QG 3.230 . 3.230 2.371 2.165 2.665 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLN H 1 14 THR HA 5.500 . 5.500 5.282 5.230 5.332 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLN H 1 57 ALA MB 3.250 . 3.250 2.986 2.801 3.118 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLN HA 1 13 GLN HB2 2.950 . 2.950 2.427 2.345 2.514 . 0 0 "[ . 1 . 2]" 1
173 1 13 GLN HA 1 13 GLN QB 2.320 . 2.320 2.195 2.177 2.211 . 0 0 "[ . 1 . 2]" 1
174 1 13 GLN HA 1 13 GLN HB3 2.950 . 2.950 2.510 2.422 2.588 . 0 0 "[ . 1 . 2]" 1
175 1 13 GLN HA 1 13 GLN QG 3.410 . 3.410 3.342 3.313 3.363 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLN HA 1 15 LEU H 5.500 . 5.500 4.214 4.004 4.510 . 0 0 "[ . 1 . 2]" 1
177 1 13 GLN HA 1 16 LEU H 3.810 . 3.810 3.327 3.186 3.543 . 0 0 "[ . 1 . 2]" 1
178 1 13 GLN HA 1 16 LEU HA 5.500 . 5.500 5.291 5.133 5.511 0.011 2 0 "[ . 1 . 2]" 1
179 1 13 GLN HA 1 16 LEU HB2 3.490 . 3.490 2.565 2.393 2.773 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLN HA 1 16 LEU HB3 5.250 . 5.250 4.207 3.964 4.502 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLN HA 1 16 LEU QD 3.300 . 3.300 3.083 2.757 3.349 0.049 1 0 "[ . 1 . 2]" 1
182 1 13 GLN HA 1 16 LEU HG 5.500 . 5.500 4.397 3.668 5.530 0.030 1 0 "[ . 1 . 2]" 1
183 1 13 GLN HA 1 17 GLU H 5.500 . 5.500 3.948 3.585 4.152 . 0 0 "[ . 1 . 2]" 1
184 1 13 GLN HA 1 17 GLU HG2 5.500 . 5.500 4.950 4.774 5.076 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLN HA 1 17 GLU HG3 5.500 . 5.500 3.472 3.329 3.637 . 0 0 "[ . 1 . 2]" 1
186 1 13 GLN HA 1 54 LYS HA 5.500 . 5.500 2.805 2.427 2.978 . 0 0 "[ . 1 . 2]" 1
187 1 13 GLN HA 1 57 ALA MB 2.660 . 2.660 2.523 2.380 2.681 0.021 8 0 "[ . 1 . 2]" 1
188 1 13 GLN QB 1 16 LEU QD 5.280 . 5.280 4.264 4.037 4.475 . 0 0 "[ . 1 . 2]" 1
189 1 13 GLN QB 1 54 LYS HA 2.450 . 2.450 2.108 1.825 2.481 0.031 8 0 "[ . 1 . 2]" 1
190 1 13 GLN QB 1 54 LYS HG2 5.340 . 5.340 2.597 2.237 2.914 . 0 0 "[ . 1 . 2]" 1
191 1 13 GLN QB 1 54 LYS HG3 5.340 . 5.340 2.704 1.998 3.390 . 0 0 "[ . 1 . 2]" 1
192 1 13 GLN QB 1 57 ALA MB 3.300 . 3.300 2.678 2.453 2.886 . 0 0 "[ . 1 . 2]" 1
193 1 13 GLN HB2 1 14 THR H 5.500 . 5.500 3.882 3.737 4.007 . 0 0 "[ . 1 . 2]" 1
194 1 13 GLN HB3 1 14 THR H 5.500 . 5.500 3.903 3.775 4.022 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLN QE 1 54 LYS QB 4.400 . 4.400 3.233 2.546 4.223 . 0 0 "[ . 1 . 2]" 1
196 1 13 GLN QE 1 54 LYS QE 4.360 . 4.360 4.261 3.710 4.455 0.095 17 0 "[ . 1 . 2]" 1
197 1 13 GLN QE 1 54 LYS HG2 3.980 . 3.980 2.888 2.336 3.364 . 0 0 "[ . 1 . 2]" 1
198 1 13 GLN QG 1 14 THR H 5.500 . 5.500 2.183 2.017 2.320 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLN QG 1 54 LYS HG3 4.200 . 4.200 3.933 3.317 4.320 0.120 11 0 "[ . 1 . 2]" 1
200 1 14 THR H 1 14 THR HA 2.840 . 2.840 2.781 2.761 2.794 . 0 0 "[ . 1 . 2]" 1
201 1 14 THR H 1 14 THR HB 2.890 . 2.890 2.534 2.472 2.660 . 0 0 "[ . 1 . 2]" 1
202 1 14 THR H 1 14 THR MG 3.800 . 3.800 3.716 3.696 3.733 . 0 0 "[ . 1 . 2]" 1
203 1 14 THR HA 1 14 THR MG 2.530 . 2.530 2.383 2.278 2.426 . 0 0 "[ . 1 . 2]" 1
204 1 14 THR HA 1 17 GLU H 4.100 . 4.100 3.511 3.398 3.673 . 0 0 "[ . 1 . 2]" 1
205 1 14 THR HA 1 17 GLU QB 3.060 . 3.060 2.734 2.578 2.939 . 0 0 "[ . 1 . 2]" 1
206 1 14 THR HA 1 17 GLU HG2 5.500 . 5.500 5.021 4.723 5.389 . 0 0 "[ . 1 . 2]" 1
207 1 14 THR HA 1 17 GLU HG3 5.500 . 5.500 3.638 3.269 4.013 . 0 0 "[ . 1 . 2]" 1
208 1 14 THR HA 1 18 GLN QG 5.340 . 5.340 4.222 4.084 4.396 . 0 0 "[ . 1 . 2]" 1
209 1 14 THR HB 1 15 LEU H 3.170 . 3.170 2.791 2.579 2.937 . 0 0 "[ . 1 . 2]" 1
210 1 14 THR HB 1 15 LEU MD2 4.740 . 4.740 4.196 3.866 4.471 . 0 0 "[ . 1 . 2]" 1
211 1 14 THR HB 1 15 LEU HG 3.420 . 3.420 3.417 3.241 3.482 0.062 2 0 "[ . 1 . 2]" 1
212 1 14 THR MG 1 15 LEU HG 5.500 . 5.500 4.146 3.979 4.317 . 0 0 "[ . 1 . 2]" 1
213 1 14 THR MG 1 16 LEU H 5.500 . 5.500 5.286 5.165 5.387 . 0 0 "[ . 1 . 2]" 1
214 1 14 THR MG 1 17 GLU QB 4.040 . 4.040 4.002 3.832 4.122 0.082 5 0 "[ . 1 . 2]" 1
215 1 14 THR MG 1 18 GLN HE21 4.060 . 4.060 2.354 2.113 2.731 . 0 0 "[ . 1 . 2]" 1
216 1 14 THR MG 1 18 GLN QE 3.200 . 3.200 2.247 2.032 2.579 . 0 0 "[ . 1 . 2]" 1
217 1 14 THR MG 1 18 GLN HE22 4.060 . 4.060 2.870 2.531 3.169 . 0 0 "[ . 1 . 2]" 1
218 1 14 THR MG 1 18 GLN QG 4.410 . 4.410 3.523 3.340 3.820 . 0 0 "[ . 1 . 2]" 1
219 1 15 LEU H 1 15 LEU HB2 2.960 . 2.960 2.451 2.393 2.510 . 0 0 "[ . 1 . 2]" 1
220 1 15 LEU H 1 15 LEU HB3 3.640 . 3.640 3.570 3.555 3.588 . 0 0 "[ . 1 . 2]" 1
221 1 15 LEU H 1 15 LEU MD2 5.500 . 5.500 3.521 3.353 3.675 . 0 0 "[ . 1 . 2]" 1
222 1 15 LEU H 1 15 LEU HG 3.020 . 3.020 2.270 2.144 2.373 . 0 0 "[ . 1 . 2]" 1
223 1 15 LEU HA 1 15 LEU HB3 2.810 . 2.810 2.456 2.411 2.485 . 0 0 "[ . 1 . 2]" 1
224 1 15 LEU HA 1 15 LEU MD2 2.750 . 2.750 2.178 2.122 2.218 . 0 0 "[ . 1 . 2]" 1
225 1 15 LEU HA 1 15 LEU HG 3.590 . 3.590 3.028 2.931 3.143 . 0 0 "[ . 1 . 2]" 1
226 1 15 LEU HA 1 17 GLU H 4.690 . 4.690 4.146 3.930 4.342 . 0 0 "[ . 1 . 2]" 1
227 1 15 LEU HA 1 18 GLN H 3.860 . 3.860 3.709 3.581 3.856 . 0 0 "[ . 1 . 2]" 1
228 1 15 LEU HA 1 18 GLN HE21 4.070 . 4.070 2.793 2.187 4.074 0.004 20 0 "[ . 1 . 2]" 1
229 1 15 LEU HA 1 18 GLN HE22 4.070 . 4.070 3.402 2.873 4.099 0.029 20 0 "[ . 1 . 2]" 1
230 1 15 LEU HA 1 18 GLN QG 4.280 . 4.280 3.601 2.812 4.034 . 0 0 "[ . 1 . 2]" 1
231 1 15 LEU HB2 1 15 LEU MD1 2.760 . 2.760 2.260 2.223 2.322 . 0 0 "[ . 1 . 2]" 1
232 1 15 LEU HB2 1 15 LEU MD2 3.210 . 3.210 3.196 3.189 3.207 . 0 0 "[ . 1 . 2]" 1
233 1 15 LEU HB2 1 16 LEU H 5.500 . 5.500 2.373 2.206 2.503 . 0 0 "[ . 1 . 2]" 1
234 1 15 LEU HB2 1 16 LEU HA 4.200 . 4.200 4.123 3.957 4.214 0.014 7 0 "[ . 1 . 2]" 1
235 1 15 LEU HB2 1 18 GLN HB2 5.500 . 5.500 5.532 5.508 5.564 0.064 11 0 "[ . 1 . 2]" 1
236 1 15 LEU HB3 1 15 LEU MD2 2.890 . 2.890 2.303 2.277 2.334 . 0 0 "[ . 1 . 2]" 1
237 1 15 LEU HB3 1 16 LEU H 3.810 . 3.810 3.514 3.437 3.621 . 0 0 "[ . 1 . 2]" 1
238 1 15 LEU HB3 1 16 LEU HA 5.500 . 5.500 4.308 4.212 4.410 . 0 0 "[ . 1 . 2]" 1
239 1 15 LEU MD1 1 73 THR HB 5.500 . 5.500 4.465 3.966 4.927 . 0 0 "[ . 1 . 2]" 1
240 1 15 LEU MD1 1 88 MET H 5.500 . 5.500 5.471 5.074 5.563 0.063 18 0 "[ . 1 . 2]" 1
241 1 15 LEU MD1 1 88 MET QB 5.340 . 5.340 4.263 3.821 4.579 . 0 0 "[ . 1 . 2]" 1
242 1 15 LEU MD1 1 89 ALA H 3.970 . 3.970 3.693 3.441 3.860 . 0 0 "[ . 1 . 2]" 1
243 1 15 LEU MD1 1 89 ALA HA 2.660 . 2.660 2.712 2.660 2.773 0.113 11 0 "[ . 1 . 2]" 1
244 1 15 LEU MD1 1 89 ALA MB 2.840 . 2.840 1.842 1.786 1.926 0.014 14 0 "[ . 1 . 2]" 1
245 1 15 LEU MD1 1 93 MET HB2 5.500 . 5.500 3.638 3.160 4.055 . 0 0 "[ . 1 . 2]" 1
246 1 15 LEU MD1 1 93 MET HG3 5.500 . 5.500 3.621 2.720 4.391 . 0 0 "[ . 1 . 2]" 1
247 1 15 LEU MD2 1 18 GLN QG 5.340 . 5.340 4.716 4.104 5.135 . 0 0 "[ . 1 . 2]" 1
248 1 15 LEU MD2 1 85 LEU QB 4.580 . 4.580 2.215 1.858 2.768 . 0 0 "[ . 1 . 2]" 1
249 1 15 LEU MD2 1 86 CYS HA 4.220 . 4.220 3.358 3.087 3.696 . 0 0 "[ . 1 . 2]" 1
250 1 15 LEU MD2 1 86 CYS HB3 5.500 . 5.500 5.624 5.570 5.705 0.205 9 0 "[ . 1 . 2]" 1
251 1 15 LEU MD2 1 88 MET QB 3.260 . 3.260 2.484 2.086 2.874 . 0 0 "[ . 1 . 2]" 1
252 1 15 LEU MD2 1 88 MET HG2 5.500 . 5.500 4.014 2.869 5.115 . 0 0 "[ . 1 . 2]" 1
253 1 15 LEU MD2 1 88 MET HG3 5.500 . 5.500 4.059 2.936 4.670 . 0 0 "[ . 1 . 2]" 1
254 1 15 LEU MD2 1 89 ALA MB 2.750 . 2.750 2.372 2.070 2.775 0.025 8 0 "[ . 1 . 2]" 1
255 1 16 LEU H 1 16 LEU HB2 3.350 . 3.350 2.418 2.242 2.543 . 0 0 "[ . 1 . 2]" 1
256 1 16 LEU H 1 16 LEU MD1 3.910 . 3.910 3.197 2.257 3.704 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU H 1 16 LEU QD 3.220 . 3.220 2.871 2.242 3.153 . 0 0 "[ . 1 . 2]" 1
258 1 16 LEU H 1 16 LEU MD2 3.910 . 3.910 3.561 3.328 3.877 . 0 0 "[ . 1 . 2]" 1
259 1 16 LEU H 1 16 LEU HG 5.500 . 5.500 2.848 2.281 4.048 . 0 0 "[ . 1 . 2]" 1
260 1 16 LEU H 1 53 GLY HA2 5.500 . 5.500 4.584 4.167 4.958 . 0 0 "[ . 1 . 2]" 1
261 1 16 LEU H 1 57 ALA MB 5.500 . 5.500 4.538 4.240 4.729 . 0 0 "[ . 1 . 2]" 1
262 1 16 LEU HA 1 16 LEU QD 2.410 . 2.410 2.195 2.049 2.469 0.059 6 0 "[ . 1 . 2]" 1
263 1 16 LEU HA 1 16 LEU HG 3.340 . 3.340 2.933 2.504 3.178 . 0 0 "[ . 1 . 2]" 1
264 1 16 LEU HA 1 18 GLN H 5.500 . 5.500 3.536 3.325 3.703 . 0 0 "[ . 1 . 2]" 1
265 1 16 LEU HA 1 19 LEU H 3.520 . 3.520 2.996 2.793 3.125 . 0 0 "[ . 1 . 2]" 1
266 1 16 LEU HA 1 19 LEU HB2 5.500 . 5.500 4.865 4.702 4.948 . 0 0 "[ . 1 . 2]" 1
267 1 16 LEU HA 1 19 LEU HB3 5.370 . 5.370 4.343 4.094 4.454 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU HA 1 19 LEU MD1 3.250 . 3.250 3.262 3.189 3.310 0.060 6 0 "[ . 1 . 2]" 1
269 1 16 LEU HA 1 19 LEU MD2 3.660 . 3.660 2.663 2.402 2.765 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU HA 1 19 LEU HG 3.220 . 3.220 2.008 1.921 2.075 . 0 0 "[ . 1 . 2]" 1
271 1 16 LEU HA 1 53 GLY HA2 5.500 . 5.500 3.657 3.526 3.868 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU HA 1 53 GLY HA3 5.500 . 5.500 5.152 4.966 5.437 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU HB2 1 16 LEU MD1 3.240 . 3.240 2.353 2.265 2.519 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU HB2 1 16 LEU QD 2.690 . 2.690 2.213 2.109 2.274 . 0 0 "[ . 1 . 2]" 1
275 1 16 LEU HB2 1 16 LEU MD2 3.240 . 3.240 2.935 2.307 3.210 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU HB2 1 17 GLU H 4.020 . 4.020 3.260 3.087 3.532 . 0 0 "[ . 1 . 2]" 1
277 1 16 LEU HB2 1 53 GLY HA2 3.860 . 3.860 2.677 2.206 3.264 . 0 0 "[ . 1 . 2]" 1
278 1 16 LEU HB3 1 16 LEU MD1 3.320 . 3.320 2.661 2.374 3.224 . 0 0 "[ . 1 . 2]" 1
279 1 16 LEU HB3 1 16 LEU QD 2.650 . 2.650 2.164 2.099 2.308 . 0 0 "[ . 1 . 2]" 1
280 1 16 LEU HB3 1 16 LEU MD2 3.320 . 3.320 2.330 2.262 2.366 . 0 0 "[ . 1 . 2]" 1
281 1 16 LEU HB3 1 17 GLU HG2 5.500 . 5.500 5.489 5.190 5.557 0.057 7 0 "[ . 1 . 2]" 1
282 1 16 LEU HB3 1 20 ASN HB2 5.500 . 5.500 5.504 5.357 5.558 0.058 19 0 "[ . 1 . 2]" 1
283 1 16 LEU HB3 1 53 GLY HA2 3.650 . 3.650 1.889 1.806 1.988 . 0 0 "[ . 1 . 2]" 1
284 1 16 LEU HB3 1 53 GLY HA3 3.730 . 3.730 3.592 3.379 3.731 0.001 20 0 "[ . 1 . 2]" 1
285 1 16 LEU HB3 1 56 LEU HB2 5.500 . 5.500 4.759 4.407 5.074 . 0 0 "[ . 1 . 2]" 1
286 1 16 LEU QD 1 19 LEU HB2 5.440 . 5.440 4.964 4.654 5.489 0.049 4 0 "[ . 1 . 2]" 1
287 1 16 LEU QD 1 19 LEU MD1 5.440 . 5.440 2.600 2.174 3.369 . 0 0 "[ . 1 . 2]" 1
288 1 16 LEU QD 1 19 LEU MD2 3.850 . 3.850 2.074 1.883 2.443 . 0 0 "[ . 1 . 2]" 1
289 1 16 LEU QD 1 20 ASN HB3 5.410 . 5.410 4.711 4.497 5.063 . 0 0 "[ . 1 . 2]" 1
290 1 16 LEU QD 1 20 ASN HD21 5.440 . 5.440 5.402 5.160 5.530 0.090 1 0 "[ . 1 . 2]" 1
291 1 16 LEU QD 1 24 LEU HA 5.440 . 5.440 4.606 4.122 5.341 . 0 0 "[ . 1 . 2]" 1
292 1 16 LEU QD 1 24 LEU MD1 5.440 . 5.440 2.347 1.993 3.408 . 0 0 "[ . 1 . 2]" 1
293 1 16 LEU QD 1 24 LEU MD2 5.440 . 5.440 3.755 3.382 5.132 . 0 0 "[ . 1 . 2]" 1
294 1 16 LEU QD 1 27 PHE HB2 5.440 . 5.440 4.476 4.003 5.189 . 0 0 "[ . 1 . 2]" 1
295 1 16 LEU QD 1 27 PHE HB3 5.060 . 5.060 4.443 4.047 5.072 0.012 5 0 "[ . 1 . 2]" 1
296 1 16 LEU QD 1 53 GLY HA2 3.730 . 3.730 3.331 3.183 3.507 . 0 0 "[ . 1 . 2]" 1
297 1 16 LEU QD 1 53 GLY HA3 4.730 . 4.730 4.498 4.368 4.665 . 0 0 "[ . 1 . 2]" 1
298 1 16 LEU QD 1 56 LEU H 5.440 . 5.440 3.804 3.660 3.941 . 0 0 "[ . 1 . 2]" 1
299 1 16 LEU QD 1 56 LEU HB3 2.830 . 2.830 2.007 1.862 2.217 . 0 0 "[ . 1 . 2]" 1
300 1 16 LEU QD 1 56 LEU MD1 5.440 . 5.440 3.824 3.721 4.121 . 0 0 "[ . 1 . 2]" 1
301 1 16 LEU QD 1 56 LEU HG 3.740 . 3.740 2.797 2.512 3.154 . 0 0 "[ . 1 . 2]" 1
302 1 16 LEU QD 1 57 ALA H 2.990 . 2.990 2.571 2.485 2.646 . 0 0 "[ . 1 . 2]" 1
303 1 16 LEU QD 1 57 ALA HA 3.060 . 3.060 2.662 2.543 2.771 . 0 0 "[ . 1 . 2]" 1
304 1 16 LEU QD 1 57 ALA MB 2.800 . 2.800 1.997 1.881 2.102 . 0 0 "[ . 1 . 2]" 1
305 1 16 LEU QD 1 59 ILE H 5.440 . 5.440 5.234 5.086 5.361 . 0 0 "[ . 1 . 2]" 1
306 1 16 LEU QD 1 60 LEU H 5.440 . 5.440 4.842 4.652 4.937 . 0 0 "[ . 1 . 2]" 1
307 1 16 LEU QD 1 60 LEU HB2 5.440 . 5.440 4.188 3.962 4.378 . 0 0 "[ . 1 . 2]" 1
308 1 16 LEU QD 1 60 LEU MD2 3.160 . 3.160 2.940 2.690 3.169 0.009 15 0 "[ . 1 . 2]" 1
309 1 16 LEU QD 1 60 LEU HG 4.140 . 4.140 3.770 3.607 3.940 . 0 0 "[ . 1 . 2]" 1
310 1 16 LEU QD 1 77 LEU QD 4.190 . 4.190 3.327 2.795 3.849 . 0 0 "[ . 1 . 2]" 1
311 1 16 LEU MD1 1 56 LEU MD2 5.500 . 5.500 2.909 2.123 4.197 . 0 0 "[ . 1 . 2]" 1
312 1 16 LEU MD1 1 56 LEU HG 4.870 . 4.870 3.511 2.772 4.883 0.013 1 0 "[ . 1 . 2]" 1
313 1 16 LEU MD1 1 60 LEU MD1 5.500 . 5.500 5.003 4.726 5.485 . 0 0 "[ . 1 . 2]" 1
314 1 16 LEU MD1 1 60 LEU MD2 4.140 . 4.140 3.416 2.896 4.195 0.055 5 0 "[ . 1 . 2]" 1
315 1 16 LEU MD2 1 56 LEU MD2 5.500 . 5.500 2.340 2.066 3.191 . 0 0 "[ . 1 . 2]" 1
316 1 16 LEU MD2 1 56 LEU HG 4.870 . 4.870 3.633 2.521 4.481 . 0 0 "[ . 1 . 2]" 1
317 1 16 LEU MD2 1 60 LEU MD1 5.500 . 5.500 5.270 4.607 5.519 0.019 16 0 "[ . 1 . 2]" 1
318 1 16 LEU MD2 1 60 LEU MD2 4.140 . 4.140 3.768 2.722 4.215 0.075 15 0 "[ . 1 . 2]" 1
319 1 16 LEU HG 1 57 ALA HA 5.500 . 5.500 5.245 4.961 5.565 0.065 6 0 "[ . 1 . 2]" 1
320 1 17 GLU H 1 17 GLU HG2 3.940 . 3.940 3.715 3.612 3.904 . 0 0 "[ . 1 . 2]" 1
321 1 17 GLU H 1 17 GLU HG3 3.200 . 3.200 2.642 2.453 2.896 . 0 0 "[ . 1 . 2]" 1
322 1 17 GLU HA 1 17 GLU QB 2.580 . 2.580 2.409 2.378 2.428 . 0 0 "[ . 1 . 2]" 1
323 1 17 GLU HA 1 17 GLU HG2 2.820 . 2.820 2.502 2.355 2.592 . 0 0 "[ . 1 . 2]" 1
324 1 17 GLU HA 1 17 GLU HG3 3.270 . 3.270 3.078 3.007 3.170 . 0 0 "[ . 1 . 2]" 1
325 1 17 GLU HA 1 53 GLY HA2 4.190 . 4.190 3.456 3.165 3.864 . 0 0 "[ . 1 . 2]" 1
326 1 17 GLU HA 1 53 GLY HA3 3.880 . 3.880 3.058 2.600 3.461 . 0 0 "[ . 1 . 2]" 1
327 1 17 GLU QB 1 18 GLN H 3.570 . 3.570 3.189 2.973 3.391 . 0 0 "[ . 1 . 2]" 1
328 1 17 GLU QB 1 18 GLN HA 5.500 . 5.500 4.187 4.025 4.343 . 0 0 "[ . 1 . 2]" 1
329 1 17 GLU QB 1 18 GLN QE 4.390 . 4.390 4.402 4.223 4.473 0.083 8 0 "[ . 1 . 2]" 1
330 1 17 GLU HG2 1 53 GLY HA2 5.500 . 5.500 4.102 3.691 4.505 . 0 0 "[ . 1 . 2]" 1
331 1 17 GLU HG2 1 53 GLY HA3 5.500 . 5.500 2.989 2.354 3.566 . 0 0 "[ . 1 . 2]" 1
332 1 17 GLU HG2 1 54 LYS H 4.130 . 4.130 3.011 2.464 3.425 . 0 0 "[ . 1 . 2]" 1
333 1 17 GLU HG2 1 54 LYS QB 5.500 . 5.500 3.439 3.083 3.841 . 0 0 "[ . 1 . 2]" 1
334 1 17 GLU HG3 1 53 GLY HA2 5.500 . 5.500 4.060 3.516 4.468 . 0 0 "[ . 1 . 2]" 1
335 1 17 GLU HG3 1 53 GLY HA3 5.140 . 5.140 3.605 2.945 4.074 . 0 0 "[ . 1 . 2]" 1
336 1 17 GLU HG3 1 54 LYS HA 4.670 . 4.670 3.916 3.598 4.259 . 0 0 "[ . 1 . 2]" 1
337 1 17 GLU HG3 1 54 LYS QB 5.500 . 5.500 3.587 3.051 4.032 . 0 0 "[ . 1 . 2]" 1
338 1 17 GLU HG3 1 54 LYS HG2 5.500 . 5.500 5.432 5.070 5.584 0.084 13 0 "[ . 1 . 2]" 1
339 1 17 GLU HG3 1 54 LYS HG3 5.500 . 5.500 4.947 4.312 5.369 . 0 0 "[ . 1 . 2]" 1
340 1 18 GLN H 1 18 GLN HB2 3.050 . 3.050 2.402 2.332 2.569 . 0 0 "[ . 1 . 2]" 1
341 1 18 GLN HA 1 18 GLN HB3 2.670 . 2.670 2.527 2.449 2.576 . 0 0 "[ . 1 . 2]" 1
342 1 18 GLN HA 1 18 GLN QE 4.980 . 4.980 4.693 4.558 4.908 . 0 0 "[ . 1 . 2]" 1
343 1 18 GLN HA 1 18 GLN HG2 3.190 . 3.190 2.570 2.504 2.677 . 0 0 "[ . 1 . 2]" 1
344 1 18 GLN HA 1 18 GLN HG3 3.190 . 3.190 2.951 2.848 3.172 . 0 0 "[ . 1 . 2]" 1
345 1 18 GLN HB2 1 19 LEU H 5.500 . 5.500 2.594 2.158 3.450 . 0 0 "[ . 1 . 2]" 1
346 1 18 GLN HB2 1 19 LEU HB3 5.500 . 5.500 3.868 3.602 4.119 . 0 0 "[ . 1 . 2]" 1
347 1 18 GLN HB2 1 19 LEU MD2 5.500 . 5.500 3.784 3.544 4.097 . 0 0 "[ . 1 . 2]" 1
348 1 18 GLN HB2 1 85 LEU QD 5.440 . 5.440 2.233 1.966 2.589 . 0 0 "[ . 1 . 2]" 1
349 1 18 GLN HB2 1 85 LEU HG 5.500 . 5.500 5.031 4.842 5.387 . 0 0 "[ . 1 . 2]" 1
350 1 18 GLN QG 1 85 LEU QD 4.760 . 4.760 3.644 3.422 4.011 . 0 0 "[ . 1 . 2]" 1
351 1 19 LEU H 1 19 LEU HB3 3.270 . 3.270 2.691 2.489 3.189 . 0 0 "[ . 1 . 2]" 1
352 1 19 LEU H 1 19 LEU MD2 3.450 . 3.450 2.960 2.779 3.381 . 0 0 "[ . 1 . 2]" 1
353 1 19 LEU H 1 19 LEU HG 3.900 . 3.900 2.510 2.439 2.635 . 0 0 "[ . 1 . 2]" 1
354 1 19 LEU HA 1 19 LEU HB3 2.850 . 2.850 2.580 2.516 2.607 . 0 0 "[ . 1 . 2]" 1
355 1 19 LEU HA 1 19 LEU MD1 3.630 . 3.630 3.618 3.581 3.642 0.012 3 0 "[ . 1 . 2]" 1
356 1 19 LEU HA 1 20 ASN H 2.400 . 2.400 2.221 2.150 2.259 . 0 0 "[ . 1 . 2]" 1
357 1 19 LEU HA 1 20 ASN HA 5.500 . 5.500 4.348 4.277 4.424 . 0 0 "[ . 1 . 2]" 1
358 1 19 LEU HA 1 21 GLU QB 5.500 . 5.500 5.222 4.851 5.513 0.013 3 0 "[ . 1 . 2]" 1
359 1 19 LEU HA 1 23 GLU HB2 3.500 . 3.500 3.108 2.819 3.505 0.005 2 0 "[ . 1 . 2]" 1
360 1 19 LEU HA 1 23 GLU QG 3.930 . 3.930 2.201 2.006 2.385 . 0 0 "[ . 1 . 2]" 1
361 1 19 LEU HA 1 82 LEU MD1 4.700 . 4.700 4.588 4.288 4.776 0.076 5 0 "[ . 1 . 2]" 1
362 1 19 LEU HB2 1 19 LEU MD1 2.840 . 2.840 2.180 2.125 2.215 . 0 0 "[ . 1 . 2]" 1
363 1 19 LEU HB2 1 20 ASN H 3.690 . 3.690 3.700 3.592 3.775 0.085 4 0 "[ . 1 . 2]" 1
364 1 19 LEU HB2 1 23 GLU HA 5.500 . 5.500 4.676 4.387 5.117 . 0 0 "[ . 1 . 2]" 1
365 1 19 LEU HB2 1 23 GLU HB2 3.270 . 3.270 2.724 2.467 3.006 . 0 0 "[ . 1 . 2]" 1
366 1 19 LEU HB2 1 24 LEU HA 5.500 . 5.500 5.158 4.919 5.509 0.009 2 0 "[ . 1 . 2]" 1
367 1 19 LEU HB2 1 85 LEU QD 5.440 . 5.440 3.477 3.153 3.898 . 0 0 "[ . 1 . 2]" 1
368 1 19 LEU HB3 1 19 LEU MD2 2.680 . 2.680 2.219 2.207 2.232 . 0 0 "[ . 1 . 2]" 1
369 1 19 LEU HB3 1 20 ASN HD21 5.180 . 5.180 5.187 5.098 5.236 0.056 10 0 "[ . 1 . 2]" 1
370 1 19 LEU HB3 1 23 GLU HB2 5.500 . 5.500 4.309 4.121 4.616 . 0 0 "[ . 1 . 2]" 1
371 1 19 LEU HB3 1 23 GLU QG 4.590 . 4.590 4.057 3.743 4.350 . 0 0 "[ . 1 . 2]" 1
372 1 19 LEU MD1 1 20 ASN HD21 4.550 . 4.550 4.637 4.583 4.692 0.142 9 0 "[ . 1 . 2]" 1
373 1 19 LEU MD1 1 23 GLU HB2 3.670 . 3.670 2.555 2.352 2.866 . 0 0 "[ . 1 . 2]" 1
374 1 19 LEU MD1 1 23 GLU HB3 2.960 . 2.960 2.888 2.525 3.010 0.050 6 0 "[ . 1 . 2]" 1
375 1 19 LEU MD1 1 23 GLU QG 5.500 . 5.500 3.844 3.638 4.091 . 0 0 "[ . 1 . 2]" 1
376 1 19 LEU MD1 1 24 LEU H 3.660 . 3.660 3.641 3.478 3.715 0.055 4 0 "[ . 1 . 2]" 1
377 1 19 LEU MD1 1 24 LEU HA 3.510 . 3.510 2.682 2.534 2.919 . 0 0 "[ . 1 . 2]" 1
378 1 19 LEU MD1 1 27 PHE HB2 3.160 . 3.160 2.571 2.319 2.987 . 0 0 "[ . 1 . 2]" 1
379 1 19 LEU MD1 1 27 PHE HB3 3.810 . 3.810 3.267 3.064 3.569 . 0 0 "[ . 1 . 2]" 1
380 1 19 LEU MD2 1 20 ASN HB3 5.500 . 5.500 5.517 5.485 5.550 0.050 4 0 "[ . 1 . 2]" 1
381 1 19 LEU MD2 1 23 GLU QG 5.500 . 5.500 5.107 4.865 5.244 . 0 0 "[ . 1 . 2]" 1
382 1 19 LEU MD2 1 27 PHE HB2 5.500 . 5.500 4.327 4.092 4.818 . 0 0 "[ . 1 . 2]" 1
383 1 19 LEU MD2 1 27 PHE HB3 5.500 . 5.500 5.254 5.005 5.540 0.040 2 0 "[ . 1 . 2]" 1
384 1 19 LEU MD2 1 53 GLY HA2 5.500 . 5.500 5.663 5.565 5.690 0.190 18 0 "[ . 1 . 2]" 1
385 1 19 LEU MD2 1 77 LEU HA 5.500 . 5.500 4.230 3.962 4.675 . 0 0 "[ . 1 . 2]" 1
386 1 19 LEU MD2 1 77 LEU QD 5.440 . 5.440 2.130 1.845 2.316 . 0 0 "[ . 1 . 2]" 1
387 1 19 LEU MD2 1 82 LEU HB2 5.500 . 5.500 4.764 4.163 5.204 . 0 0 "[ . 1 . 2]" 1
388 1 19 LEU MD2 1 82 LEU HB3 5.500 . 5.500 4.693 4.065 5.019 . 0 0 "[ . 1 . 2]" 1
389 1 19 LEU MD2 1 82 LEU MD1 2.640 . 2.640 2.549 2.230 2.685 0.045 5 0 "[ . 1 . 2]" 1
390 1 19 LEU MD2 1 85 LEU QD 5.440 . 5.440 2.083 1.945 2.340 . 0 0 "[ . 1 . 2]" 1
391 1 20 ASN H 1 20 ASN HB2 4.150 . 4.150 4.099 4.061 4.127 . 0 0 "[ . 1 . 2]" 1
392 1 20 ASN H 1 20 ASN HB3 3.680 . 3.680 3.641 3.582 3.709 0.029 1 0 "[ . 1 . 2]" 1
393 1 20 ASN H 1 23 GLU HB2 3.140 . 3.140 2.478 2.171 3.146 0.006 4 0 "[ . 1 . 2]" 1
394 1 20 ASN H 1 23 GLU HB3 4.460 . 4.460 3.777 3.523 4.183 . 0 0 "[ . 1 . 2]" 1
395 1 20 ASN H 1 23 GLU QG 4.300 . 4.300 2.118 1.857 2.415 . 0 0 "[ . 1 . 2]" 1
396 1 20 ASN HA 1 20 ASN HB2 2.550 . 2.550 2.530 2.475 2.563 0.013 5 0 "[ . 1 . 2]" 1
397 1 20 ASN HA 1 20 ASN HB3 2.480 . 2.480 2.349 2.307 2.379 . 0 0 "[ . 1 . 2]" 1
398 1 20 ASN HA 1 21 GLU HA 5.500 . 5.500 4.904 4.534 5.034 . 0 0 "[ . 1 . 2]" 1
399 1 20 ASN HA 1 22 ASP H 5.500 . 5.500 5.195 4.894 5.522 0.022 11 0 "[ . 1 . 2]" 1
400 1 20 ASN HB2 1 21 GLU HA 4.540 . 4.540 4.308 4.056 4.586 0.046 4 0 "[ . 1 . 2]" 1
401 1 20 ASN HB2 1 23 GLU HB2 5.500 . 5.500 5.272 5.022 5.539 0.039 4 0 "[ . 1 . 2]" 1
402 1 20 ASN HB2 1 24 LEU MD1 5.500 . 5.500 3.375 2.548 3.862 . 0 0 "[ . 1 . 2]" 1
403 1 20 ASN HB3 1 20 ASN HD21 3.230 . 3.230 2.192 2.126 2.262 . 0 0 "[ . 1 . 2]" 1
404 1 20 ASN HB3 1 24 LEU QB 4.470 . 4.470 3.599 3.284 3.861 . 0 0 "[ . 1 . 2]" 1
405 1 20 ASN HB3 1 24 LEU MD1 5.500 . 5.500 2.733 2.227 3.285 . 0 0 "[ . 1 . 2]" 1
406 1 20 ASN HD21 1 23 GLU QG 4.640 . 4.640 4.725 4.677 4.766 0.126 18 0 "[ . 1 . 2]" 1
407 1 20 ASN HD21 1 24 LEU QB 5.340 . 5.340 5.246 5.043 5.347 0.007 7 0 "[ . 1 . 2]" 1
408 1 20 ASN HD21 1 24 LEU MD2 5.500 . 5.500 5.205 4.638 5.521 0.021 11 0 "[ . 1 . 2]" 1
409 1 20 ASN HD22 1 23 GLU QG 5.500 . 5.500 5.321 5.174 5.472 . 0 0 "[ . 1 . 2]" 1
410 1 21 GLU H 1 21 GLU HA 2.860 . 2.860 2.695 2.603 2.837 . 0 0 "[ . 1 . 2]" 1
411 1 21 GLU H 1 21 GLU QB 2.510 . 2.510 2.220 2.082 2.570 0.060 1 0 "[ . 1 . 2]" 1
412 1 21 GLU HA 1 21 GLU QB 2.560 . 2.560 2.371 2.318 2.490 . 0 0 "[ . 1 . 2]" 1
413 1 21 GLU HA 1 21 GLU QG 2.530 . 2.530 2.477 2.263 2.715 0.185 7 0 "[ . 1 . 2]" 1
414 1 21 GLU HA 1 24 LEU H 5.500 . 5.500 5.025 4.741 5.276 . 0 0 "[ . 1 . 2]" 1
415 1 21 GLU QB 1 22 ASP H 2.570 . 2.570 2.035 1.904 2.191 . 0 0 "[ . 1 . 2]" 1
416 1 21 GLU QB 1 22 ASP HA 4.510 . 4.510 4.390 3.950 4.520 0.010 2 0 "[ . 1 . 2]" 1
417 1 21 GLU QB 1 22 ASP QB 5.500 . 5.500 3.641 3.297 3.965 . 0 0 "[ . 1 . 2]" 1
418 1 21 GLU QG 1 22 ASP HA 5.340 . 5.340 4.342 3.752 5.600 0.260 5 0 "[ . 1 . 2]" 1
419 1 21 GLU QG 1 22 ASP QB 5.340 . 5.340 3.589 2.460 5.339 . 0 0 "[ . 1 . 2]" 1
420 1 22 ASP H 1 22 ASP QB 2.560 . 2.560 2.466 2.333 2.551 . 0 0 "[ . 1 . 2]" 1
421 1 22 ASP H 1 23 GLU HB3 5.500 . 5.500 4.965 4.637 5.183 . 0 0 "[ . 1 . 2]" 1
422 1 22 ASP H 1 23 GLU QG 4.390 . 4.390 2.324 2.092 2.768 . 0 0 "[ . 1 . 2]" 1
423 1 22 ASP H 1 25 LYS QD 5.500 . 5.500 4.608 4.341 4.835 . 0 0 "[ . 1 . 2]" 1
424 1 22 ASP HA 1 22 ASP QB 2.550 . 2.550 2.405 2.257 2.478 . 0 0 "[ . 1 . 2]" 1
425 1 22 ASP HA 1 23 GLU H 3.460 . 3.460 3.042 2.878 3.289 . 0 0 "[ . 1 . 2]" 1
426 1 22 ASP HA 1 25 LYS H 3.810 . 3.810 3.752 3.488 3.894 0.084 3 0 "[ . 1 . 2]" 1
427 1 22 ASP HA 1 25 LYS QB 5.500 . 5.500 3.685 3.462 3.977 . 0 0 "[ . 1 . 2]" 1
428 1 22 ASP HA 1 25 LYS QD 2.920 . 2.920 1.936 1.790 2.158 0.010 20 0 "[ . 1 . 2]" 1
429 1 22 ASP HA 1 25 LYS QE 3.840 . 3.840 2.649 2.021 3.914 0.074 5 0 "[ . 1 . 2]" 1
430 1 22 ASP HA 1 25 LYS HG2 5.500 . 5.500 4.271 4.055 4.528 . 0 0 "[ . 1 . 2]" 1
431 1 22 ASP HA 1 25 LYS HG3 5.500 . 5.500 3.105 2.593 4.739 . 0 0 "[ . 1 . 2]" 1
432 1 22 ASP QB 1 23 GLU H 3.390 . 3.390 3.335 2.673 3.462 0.072 6 0 "[ . 1 . 2]" 1
433 1 22 ASP QB 1 23 GLU HA 5.500 . 5.500 4.173 4.015 4.444 . 0 0 "[ . 1 . 2]" 1
434 1 22 ASP QB 1 25 LYS QD 5.500 . 5.500 3.213 2.424 3.615 . 0 0 "[ . 1 . 2]" 1
435 1 22 ASP QB 1 25 LYS QE 4.130 . 4.130 3.881 3.219 4.310 0.180 20 0 "[ . 1 . 2]" 1
436 1 22 ASP QB 1 25 LYS QG 5.340 . 5.340 4.675 4.055 5.189 . 0 0 "[ . 1 . 2]" 1
437 1 23 GLU H 1 23 GLU HA 2.930 . 2.930 2.888 2.696 2.953 0.023 6 0 "[ . 1 . 2]" 1
438 1 23 GLU H 1 23 GLU HB2 2.910 . 2.910 2.712 2.498 3.013 0.103 4 0 "[ . 1 . 2]" 1
439 1 23 GLU H 1 23 GLU HB3 3.820 . 3.820 3.567 3.336 3.669 . 0 0 "[ . 1 . 2]" 1
440 1 23 GLU H 1 23 GLU QG 2.930 . 2.930 1.860 1.734 2.164 0.066 4 0 "[ . 1 . 2]" 1
441 1 23 GLU HA 1 25 LYS QD 5.500 . 5.500 5.083 4.719 5.501 0.001 4 0 "[ . 1 . 2]" 1
442 1 23 GLU HA 1 26 SER H 5.500 . 5.500 3.669 3.420 3.911 . 0 0 "[ . 1 . 2]" 1
443 1 23 GLU HB2 1 23 GLU QG 2.400 . 2.400 2.134 2.069 2.152 . 0 0 "[ . 1 . 2]" 1
444 1 23 GLU HB2 1 24 LEU H 3.690 . 3.690 2.615 2.382 2.731 . 0 0 "[ . 1 . 2]" 1
445 1 23 GLU HB3 1 24 LEU H 3.950 . 3.950 3.905 3.781 3.985 0.035 10 0 "[ . 1 . 2]" 1
446 1 23 GLU QG 1 24 LEU H 4.430 . 4.430 3.455 2.786 3.753 . 0 0 "[ . 1 . 2]" 1
447 1 23 GLU QG 1 25 LYS QD 5.500 . 5.500 5.616 5.477 5.689 0.189 11 0 "[ . 1 . 2]" 1
448 1 23 GLU QG 1 82 LEU MD1 5.500 . 5.500 4.604 4.104 4.990 . 0 0 "[ . 1 . 2]" 1
449 1 23 GLU QG 1 82 LEU MD2 5.500 . 5.500 4.935 4.486 5.392 . 0 0 "[ . 1 . 2]" 1
450 1 24 LEU H 1 24 LEU HB2 3.280 . 3.280 2.164 2.104 2.197 . 0 0 "[ . 1 . 2]" 1
451 1 24 LEU H 1 24 LEU QB 2.610 . 2.610 2.108 2.060 2.140 . 0 0 "[ . 1 . 2]" 1
452 1 24 LEU H 1 24 LEU HB3 3.280 . 3.280 2.914 2.809 2.997 . 0 0 "[ . 1 . 2]" 1
453 1 24 LEU H 1 24 LEU HG 4.890 . 4.890 4.535 4.479 4.570 . 0 0 "[ . 1 . 2]" 1
454 1 24 LEU HA 1 24 LEU HG 3.480 . 3.480 2.725 2.634 2.815 . 0 0 "[ . 1 . 2]" 1
455 1 24 LEU HA 1 27 PHE H 3.210 . 3.210 3.145 2.922 3.279 0.069 4 0 "[ . 1 . 2]" 1
456 1 24 LEU HA 1 27 PHE HB2 3.240 . 3.240 2.925 2.690 3.158 . 0 0 "[ . 1 . 2]" 1
457 1 24 LEU HA 1 27 PHE HB3 2.870 . 2.870 2.221 2.102 2.438 . 0 0 "[ . 1 . 2]" 1
458 1 24 LEU QB 1 24 LEU MD2 2.600 . 2.600 2.066 2.054 2.082 . 0 0 "[ . 1 . 2]" 1
459 1 24 LEU QB 1 25 LYS H 3.450 . 3.450 2.781 2.524 2.976 . 0 0 "[ . 1 . 2]" 1
460 1 24 LEU QB 1 26 SER H 5.340 . 5.340 4.819 4.640 4.976 . 0 0 "[ . 1 . 2]" 1
461 1 24 LEU QB 1 28 LYS QE 4.350 . 4.350 2.472 2.227 3.151 . 0 0 "[ . 1 . 2]" 1
462 1 24 LEU QB 1 52 ASP HB2 5.340 . 5.340 4.446 4.143 5.048 . 0 0 "[ . 1 . 2]" 1
463 1 24 LEU QB 1 52 ASP HB3 5.340 . 5.340 4.973 4.674 5.357 0.017 10 0 "[ . 1 . 2]" 1
464 1 24 LEU HB2 1 25 LYS H 4.250 . 4.250 3.555 3.421 3.801 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU HB3 1 25 LYS H 4.250 . 4.250 2.908 2.583 3.149 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU MD1 1 27 PHE HB2 5.500 . 5.500 3.403 2.941 4.038 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU MD1 1 27 PHE HB3 4.050 . 4.050 2.790 2.323 3.162 . 0 0 "[ . 1 . 2]" 1
468 1 24 LEU MD1 1 28 LYS QE 5.340 . 5.340 3.742 3.432 4.058 . 0 0 "[ . 1 . 2]" 1
469 1 24 LEU MD1 1 53 GLY HA2 5.500 . 5.500 3.471 3.021 4.126 . 0 0 "[ . 1 . 2]" 1
470 1 24 LEU MD2 1 25 LYS HA 5.500 . 5.500 5.216 4.754 5.517 0.017 18 0 "[ . 1 . 2]" 1
471 1 24 LEU MD2 1 28 LYS HD3 5.500 . 5.500 4.634 4.459 4.895 . 0 0 "[ . 1 . 2]" 1
472 1 24 LEU MD2 1 28 LYS QE 5.340 . 5.340 2.087 1.951 2.322 . 0 0 "[ . 1 . 2]" 1
473 1 24 LEU MD2 1 51 ALA HA 5.500 . 5.500 4.980 4.784 5.196 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU MD2 1 52 ASP HA 2.740 . 2.740 1.866 1.800 2.045 0.000 18 0 "[ . 1 . 2]" 1
475 1 24 LEU MD2 1 52 ASP HB2 5.500 . 5.500 2.791 2.341 3.172 . 0 0 "[ . 1 . 2]" 1
476 1 24 LEU MD2 1 52 ASP HB3 4.280 . 4.280 3.230 2.378 3.592 . 0 0 "[ . 1 . 2]" 1
477 1 24 LEU MD2 1 53 GLY H 3.230 . 3.230 2.231 1.773 3.279 0.049 4 0 "[ . 1 . 2]" 1
478 1 24 LEU HG 1 27 PHE HB3 5.500 . 5.500 3.329 3.002 3.931 . 0 0 "[ . 1 . 2]" 1
479 1 24 LEU HG 1 28 LYS HA 5.500 . 5.500 5.133 4.742 5.515 0.015 4 0 "[ . 1 . 2]" 1
480 1 24 LEU HG 1 28 LYS QE 2.850 . 2.850 2.315 1.924 2.666 . 0 0 "[ . 1 . 2]" 1
481 1 24 LEU HG 1 28 LYS HG3 2.980 . 2.980 2.648 2.325 2.864 . 0 0 "[ . 1 . 2]" 1
482 1 24 LEU HG 1 56 LEU MD2 5.500 . 5.500 2.266 2.027 2.765 . 0 0 "[ . 1 . 2]" 1
483 1 25 LYS H 1 25 LYS HA 2.900 . 2.900 2.790 2.768 2.822 . 0 0 "[ . 1 . 2]" 1
484 1 25 LYS H 1 25 LYS QB 2.590 . 2.590 2.410 2.301 2.486 . 0 0 "[ . 1 . 2]" 1
485 1 25 LYS H 1 25 LYS QD 3.690 . 3.690 3.283 1.961 3.587 . 0 0 "[ . 1 . 2]" 1
486 1 25 LYS H 1 25 LYS QG 3.620 . 3.620 2.014 1.848 3.152 . 0 0 "[ . 1 . 2]" 1
487 1 25 LYS HA 1 25 LYS QB 2.510 . 2.510 2.359 2.337 2.384 . 0 0 "[ . 1 . 2]" 1
488 1 25 LYS HA 1 25 LYS HG2 3.020 . 3.020 2.706 2.585 3.328 0.308 17 0 "[ . 1 . 2]" 1
489 1 25 LYS HA 1 25 LYS HG3 3.020 . 3.020 2.877 2.081 3.034 0.014 18 0 "[ . 1 . 2]" 1
490 1 25 LYS HA 1 28 LYS HD2 5.500 . 5.500 2.756 2.146 3.634 . 0 0 "[ . 1 . 2]" 1
491 1 25 LYS HA 1 28 LYS HD3 5.500 . 5.500 4.473 3.837 5.335 . 0 0 "[ . 1 . 2]" 1
492 1 25 LYS QB 1 25 LYS QE 3.970 . 3.970 3.312 2.114 3.804 . 0 0 "[ . 1 . 2]" 1
493 1 25 LYS QB 1 26 SER H 2.890 . 2.890 2.455 2.238 2.725 . 0 0 "[ . 1 . 2]" 1
494 1 25 LYS QB 1 26 SER HA 5.500 . 5.500 3.936 3.768 4.116 . 0 0 "[ . 1 . 2]" 1
495 1 25 LYS QB 1 26 SER HB2 5.500 . 5.500 4.387 4.093 4.652 . 0 0 "[ . 1 . 2]" 1
496 1 25 LYS QB 1 26 SER HB3 5.500 . 5.500 5.175 4.938 5.424 . 0 0 "[ . 1 . 2]" 1
497 1 25 LYS QD 1 25 LYS QE 2.400 . 2.400 2.056 1.987 2.096 . 0 0 "[ . 1 . 2]" 1
498 1 25 LYS QE 1 25 LYS HG2 3.240 . 3.240 2.450 2.260 2.909 . 0 0 "[ . 1 . 2]" 1
499 1 25 LYS QE 1 25 LYS QG 2.610 . 2.610 2.213 2.084 2.389 . 0 0 "[ . 1 . 2]" 1
500 1 25 LYS QE 1 25 LYS HG3 3.240 . 3.240 2.668 2.388 3.347 0.107 10 0 "[ . 1 . 2]" 1
501 1 25 LYS QG 1 26 SER H 5.340 . 5.340 4.002 3.844 4.426 . 0 0 "[ . 1 . 2]" 1
502 1 26 SER H 1 26 SER HB2 2.830 . 2.830 2.213 2.121 2.490 . 0 0 "[ . 1 . 2]" 1
503 1 26 SER H 1 26 SER HB3 3.190 . 3.190 3.290 2.668 3.334 0.144 2 0 "[ . 1 . 2]" 1
504 1 26 SER HA 1 30 LEU MD1 5.500 . 5.500 3.859 3.553 4.060 . 0 0 "[ . 1 . 2]" 1
505 1 26 SER HA 1 30 LEU HG 4.160 . 4.160 3.673 3.393 4.142 . 0 0 "[ . 1 . 2]" 1
506 1 26 SER HB2 1 27 PHE H 3.780 . 3.780 2.151 1.945 3.578 . 0 0 "[ . 1 . 2]" 1
507 1 26 SER HB2 1 27 PHE HB2 5.500 . 5.500 3.900 3.657 5.534 0.034 3 0 "[ . 1 . 2]" 1
508 1 26 SER HB2 1 30 LEU MD1 3.620 . 3.620 3.595 3.329 3.727 0.107 3 0 "[ . 1 . 2]" 1
509 1 26 SER HB3 1 27 PHE H 3.210 . 3.210 3.185 2.352 3.256 0.046 10 0 "[ . 1 . 2]" 1
510 1 26 SER HB3 1 27 PHE HB2 5.500 . 5.500 4.849 3.983 5.015 . 0 0 "[ . 1 . 2]" 1
511 1 26 SER HB3 1 27 PHE HB3 5.500 . 5.500 5.570 4.924 5.621 0.121 20 0 "[ . 1 . 2]" 1
512 1 26 SER HB3 1 30 LEU MD1 2.820 . 2.820 2.657 2.319 2.841 0.021 1 0 "[ . 1 . 2]" 1
513 1 26 SER HB3 1 30 LEU HG 4.240 . 4.240 3.691 3.537 4.255 0.015 3 0 "[ . 1 . 2]" 1
514 1 27 PHE H 1 27 PHE HA 2.940 . 2.940 2.741 2.724 2.758 . 0 0 "[ . 1 . 2]" 1
515 1 27 PHE H 1 27 PHE HB2 2.830 . 2.830 2.354 2.307 2.416 . 0 0 "[ . 1 . 2]" 1
516 1 27 PHE H 1 27 PHE HB3 2.920 . 2.920 2.472 2.427 2.674 . 0 0 "[ . 1 . 2]" 1
517 1 27 PHE H 1 28 LYS HA 5.500 . 5.500 5.501 5.455 5.524 0.024 18 0 "[ . 1 . 2]" 1
518 1 27 PHE HA 1 27 PHE HB2 2.800 . 2.800 2.439 2.425 2.506 . 0 0 "[ . 1 . 2]" 1
519 1 27 PHE HA 1 30 LEU H 4.070 . 4.070 3.676 3.431 3.864 . 0 0 "[ . 1 . 2]" 1
520 1 27 PHE HA 1 30 LEU HB2 5.500 . 5.500 2.738 2.335 2.984 . 0 0 "[ . 1 . 2]" 1
521 1 27 PHE HA 1 30 LEU MD1 2.600 . 2.600 2.422 2.032 2.632 0.032 14 0 "[ . 1 . 2]" 1
522 1 27 PHE HA 1 76 ILE HA 5.500 . 5.500 5.233 4.885 5.519 0.019 2 0 "[ . 1 . 2]" 1
523 1 27 PHE HA 1 76 ILE HB 5.500 . 5.500 4.706 4.376 5.103 . 0 0 "[ . 1 . 2]" 1
524 1 27 PHE HA 1 76 ILE MG 2.810 . 2.810 2.237 1.960 2.523 . 0 0 "[ . 1 . 2]" 1
525 1 27 PHE HB2 1 28 LYS HG3 5.500 . 5.500 5.121 4.902 5.322 . 0 0 "[ . 1 . 2]" 1
526 1 27 PHE HB2 1 30 LEU MD1 5.500 . 5.500 4.115 3.694 4.316 . 0 0 "[ . 1 . 2]" 1
527 1 27 PHE HB2 1 76 ILE MG 3.900 . 3.900 3.347 3.093 3.512 . 0 0 "[ . 1 . 2]" 1
528 1 27 PHE HB3 1 28 LYS H 3.390 . 3.390 2.415 2.297 2.573 . 0 0 "[ . 1 . 2]" 1
529 1 27 PHE HB3 1 28 LYS HG3 5.500 . 5.500 3.395 3.201 3.621 . 0 0 "[ . 1 . 2]" 1
530 1 27 PHE HB3 1 56 LEU MD2 5.500 . 5.500 3.625 3.364 3.831 . 0 0 "[ . 1 . 2]" 1
531 1 28 LYS H 1 28 LYS HB2 3.190 . 3.190 2.537 2.472 2.649 . 0 0 "[ . 1 . 2]" 1
532 1 28 LYS H 1 28 LYS HB3 3.710 . 3.710 3.616 3.593 3.649 . 0 0 "[ . 1 . 2]" 1
533 1 28 LYS H 1 28 LYS HD2 4.610 . 4.610 3.899 3.730 4.128 . 0 0 "[ . 1 . 2]" 1
534 1 28 LYS H 1 28 LYS HG2 3.970 . 3.970 3.481 3.311 3.585 . 0 0 "[ . 1 . 2]" 1
535 1 28 LYS H 1 28 LYS HG3 3.470 . 3.470 2.197 2.085 2.278 . 0 0 "[ . 1 . 2]" 1
536 1 28 LYS HA 1 28 LYS HG2 2.850 . 2.850 2.656 2.555 2.743 . 0 0 "[ . 1 . 2]" 1
537 1 28 LYS HA 1 31 LEU QD 4.370 . 4.370 2.213 1.974 2.577 . 0 0 "[ . 1 . 2]" 1
538 1 28 LYS HA 1 31 LEU HG 5.500 . 5.500 3.679 2.642 4.771 . 0 0 "[ . 1 . 2]" 1
539 1 28 LYS HA 1 48 VAL QG 4.350 . 4.350 3.851 3.142 4.253 . 0 0 "[ . 1 . 2]" 1
540 1 28 LYS HA 1 56 LEU MD2 5.500 . 5.500 3.843 3.157 4.439 . 0 0 "[ . 1 . 2]" 1
541 1 28 LYS HB2 1 28 LYS HD3 4.070 . 4.070 3.026 2.896 3.217 . 0 0 "[ . 1 . 2]" 1
542 1 28 LYS HB2 1 29 SER H 3.500 . 3.500 2.603 2.292 3.050 . 0 0 "[ . 1 . 2]" 1
543 1 28 LYS HB2 1 29 SER HB2 4.360 . 4.360 4.157 3.802 4.369 0.009 16 0 "[ . 1 . 2]" 1
544 1 28 LYS HB2 1 48 VAL QG 5.440 . 5.440 4.214 3.681 4.467 . 0 0 "[ . 1 . 2]" 1
545 1 28 LYS HB3 1 28 LYS HD3 3.770 . 3.770 2.603 2.554 2.653 . 0 0 "[ . 1 . 2]" 1
546 1 28 LYS HB3 1 29 SER H 4.110 . 4.110 3.620 3.366 3.916 . 0 0 "[ . 1 . 2]" 1
547 1 28 LYS HB3 1 31 LEU QD 4.310 . 4.310 3.788 3.280 4.167 . 0 0 "[ . 1 . 2]" 1
548 1 28 LYS HB3 1 48 VAL QG 3.710 . 3.710 2.978 2.400 3.238 . 0 0 "[ . 1 . 2]" 1
549 1 28 LYS HD2 1 48 VAL QG 4.280 . 4.280 3.986 3.456 4.313 0.033 4 0 "[ . 1 . 2]" 1
550 1 28 LYS HD2 1 49 GLU HA 5.500 . 5.500 4.142 3.910 4.425 . 0 0 "[ . 1 . 2]" 1
551 1 28 LYS HD3 1 28 LYS QE 2.440 . 2.440 2.336 2.300 2.383 . 0 0 "[ . 1 . 2]" 1
552 1 28 LYS HD3 1 28 LYS HG2 2.740 . 2.740 2.430 2.374 2.464 . 0 0 "[ . 1 . 2]" 1
553 1 28 LYS HD3 1 48 VAL QG 3.460 . 3.460 2.532 2.043 2.954 . 0 0 "[ . 1 . 2]" 1
554 1 28 LYS HD3 1 49 GLU HA 3.790 . 3.790 2.999 2.622 3.482 . 0 0 "[ . 1 . 2]" 1
555 1 28 LYS HD3 1 49 GLU HG2 5.500 . 5.500 3.980 2.949 5.383 . 0 0 "[ . 1 . 2]" 1
556 1 28 LYS QE 1 28 LYS HG2 3.390 . 3.390 2.445 2.392 2.507 . 0 0 "[ . 1 . 2]" 1
557 1 28 LYS QE 1 28 LYS HG3 3.150 . 3.150 2.342 2.282 2.385 . 0 0 "[ . 1 . 2]" 1
558 1 28 LYS QE 1 48 VAL QG 3.670 . 3.670 3.214 2.512 3.692 0.022 2 0 "[ . 1 . 2]" 1
559 1 28 LYS QE 1 51 ALA MB 5.340 . 5.340 3.934 3.429 4.541 . 0 0 "[ . 1 . 2]" 1
560 1 28 LYS QE 1 56 LEU MD1 5.340 . 5.340 3.065 2.472 3.622 . 0 0 "[ . 1 . 2]" 1
561 1 28 LYS HE2 1 56 LEU MD2 5.500 . 5.500 3.285 2.547 4.288 . 0 0 "[ . 1 . 2]" 1
562 1 28 LYS HE3 1 56 LEU MD2 5.500 . 5.500 3.471 2.777 3.983 . 0 0 "[ . 1 . 2]" 1
563 1 28 LYS HG2 1 48 VAL QG 3.430 . 3.430 2.795 2.202 3.365 . 0 0 "[ . 1 . 2]" 1
564 1 28 LYS HG3 1 29 SER H 5.500 . 5.500 4.314 4.181 4.511 . 0 0 "[ . 1 . 2]" 1
565 1 28 LYS HG3 1 48 VAL QG 5.440 . 5.440 4.128 3.559 4.580 . 0 0 "[ . 1 . 2]" 1
566 1 29 SER H 1 29 SER HB2 2.720 . 2.720 2.131 1.885 2.538 . 0 0 "[ . 1 . 2]" 1
567 1 29 SER H 1 29 SER HB3 3.180 . 3.180 3.041 2.557 3.324 0.144 5 0 "[ . 1 . 2]" 1
568 1 29 SER HA 1 29 SER HB2 2.850 . 2.850 2.790 2.571 2.918 0.068 11 0 "[ . 1 . 2]" 1
569 1 29 SER HA 1 29 SER HB3 3.000 . 3.000 2.746 2.535 3.014 0.014 2 0 "[ . 1 . 2]" 1
570 1 29 SER HA 1 30 LEU HA 5.500 . 5.500 4.813 4.701 4.887 . 0 0 "[ . 1 . 2]" 1
571 1 29 SER HA 1 31 LEU H 5.500 . 5.500 4.414 4.258 4.719 . 0 0 "[ . 1 . 2]" 1
572 1 29 SER HA 1 32 TRP HB2 3.440 . 3.440 2.907 2.709 3.009 . 0 0 "[ . 1 . 2]" 1
573 1 29 SER HA 1 32 TRP HB3 3.460 . 3.460 3.365 3.120 3.515 0.055 15 0 "[ . 1 . 2]" 1
574 1 29 SER HA 1 32 TRP HE3 5.090 . 5.090 5.157 5.100 5.208 0.118 13 0 "[ . 1 . 2]" 1
575 1 29 SER HA 1 33 ALA H 5.500 . 5.500 4.849 4.263 5.506 0.006 11 0 "[ . 1 . 2]" 1
576 1 29 SER QB 1 45 TRP HH2 4.320 . 4.320 4.079 3.590 4.373 0.053 14 0 "[ . 1 . 2]" 1
577 1 29 SER QB 1 45 TRP HZ3 5.440 . 5.440 5.195 4.892 5.463 0.023 3 0 "[ . 1 . 2]" 1
578 1 29 SER HB2 1 30 LEU H 3.730 . 3.730 2.831 2.145 3.740 0.010 6 0 "[ . 1 . 2]" 1
579 1 29 SER HB2 1 30 LEU MD1 5.500 . 5.500 4.950 4.405 5.613 0.113 3 0 "[ . 1 . 2]" 1
580 1 29 SER HB3 1 30 LEU H 2.980 . 2.980 2.896 2.533 3.115 0.135 14 0 "[ . 1 . 2]" 1
581 1 29 SER HB3 1 30 LEU HG 3.880 . 3.880 3.597 2.996 3.960 0.080 17 0 "[ . 1 . 2]" 1
582 1 30 LEU H 1 30 LEU HB3 3.610 . 3.610 3.567 3.530 3.597 . 0 0 "[ . 1 . 2]" 1
583 1 30 LEU H 1 30 LEU MD1 3.470 . 3.470 3.362 3.225 3.467 . 0 0 "[ . 1 . 2]" 1
584 1 30 LEU H 1 30 LEU MD2 3.880 . 3.880 3.506 3.388 3.710 . 0 0 "[ . 1 . 2]" 1
585 1 30 LEU H 1 30 LEU HG 2.910 . 2.910 2.232 2.091 2.454 . 0 0 "[ . 1 . 2]" 1
586 1 30 LEU H 1 76 ILE MG 5.500 . 5.500 4.101 3.874 4.363 . 0 0 "[ . 1 . 2]" 1
587 1 30 LEU HA 1 30 LEU HB3 2.930 . 2.930 2.496 2.459 2.550 . 0 0 "[ . 1 . 2]" 1
588 1 30 LEU HA 1 30 LEU MD2 2.700 . 2.700 2.091 2.034 2.161 . 0 0 "[ . 1 . 2]" 1
589 1 30 LEU HA 1 30 LEU HG 3.450 . 3.450 2.896 2.757 3.000 . 0 0 "[ . 1 . 2]" 1
590 1 30 LEU HA 1 76 ILE MD 5.410 . 5.410 4.247 3.993 4.439 . 0 0 "[ . 1 . 2]" 1
591 1 30 LEU HA 1 76 ILE MG 5.030 . 5.030 4.529 4.327 4.765 . 0 0 "[ . 1 . 2]" 1
592 1 30 LEU HB2 1 30 LEU MD1 2.690 . 2.690 2.219 2.169 2.272 . 0 0 "[ . 1 . 2]" 1
593 1 30 LEU HB2 1 31 LEU H 3.270 . 3.270 2.667 2.469 2.847 . 0 0 "[ . 1 . 2]" 1
594 1 30 LEU HB2 1 76 ILE MD 5.500 . 5.500 2.929 2.659 3.347 . 0 0 "[ . 1 . 2]" 1
595 1 30 LEU HB2 1 76 ILE HG13 5.500 . 5.500 4.757 4.501 4.987 . 0 0 "[ . 1 . 2]" 1
596 1 30 LEU HB2 1 76 ILE MG 2.810 . 2.810 2.155 2.005 2.355 . 0 0 "[ . 1 . 2]" 1
597 1 30 LEU HB3 1 30 LEU MD1 2.820 . 2.820 2.428 2.376 2.508 . 0 0 "[ . 1 . 2]" 1
598 1 30 LEU HB3 1 30 LEU MD2 2.570 . 2.570 2.296 2.212 2.336 . 0 0 "[ . 1 . 2]" 1
599 1 30 LEU HB3 1 31 LEU H 3.850 . 3.850 3.638 3.537 3.786 . 0 0 "[ . 1 . 2]" 1
600 1 30 LEU HB3 1 76 ILE HA 5.500 . 5.500 3.612 3.298 3.870 . 0 0 "[ . 1 . 2]" 1
601 1 30 LEU HB3 1 76 ILE MD 3.770 . 3.770 2.787 2.410 3.047 . 0 0 "[ . 1 . 2]" 1
602 1 30 LEU HB3 1 76 ILE HG12 5.500 . 5.500 5.484 5.226 5.567 0.067 4 0 "[ . 1 . 2]" 1
603 1 30 LEU HB3 1 76 ILE HG13 5.500 . 5.500 5.164 4.617 5.506 0.006 3 0 "[ . 1 . 2]" 1
604 1 30 LEU HB3 1 76 ILE MG 3.040 . 3.040 2.600 2.215 2.905 . 0 0 "[ . 1 . 2]" 1
605 1 30 LEU HB3 1 79 GLU HB3 4.230 . 4.230 3.650 3.220 4.148 . 0 0 "[ . 1 . 2]" 1
606 1 30 LEU MD1 1 31 LEU HB3 5.500 . 5.500 5.539 5.509 5.581 0.081 8 0 "[ . 1 . 2]" 1
607 1 30 LEU MD1 1 76 ILE HA 4.200 . 4.200 3.499 3.150 3.733 . 0 0 "[ . 1 . 2]" 1
608 1 30 LEU MD1 1 76 ILE MD 4.560 . 4.560 3.777 3.562 4.126 . 0 0 "[ . 1 . 2]" 1
609 1 30 LEU MD1 1 76 ILE HG13 5.500 . 5.500 5.310 5.133 5.458 . 0 0 "[ . 1 . 2]" 1
610 1 30 LEU MD1 1 76 ILE MG 2.470 . 2.470 2.413 2.268 2.498 0.028 14 0 "[ . 1 . 2]" 1
611 1 30 LEU MD1 1 79 GLU HB2 5.500 . 5.500 2.896 2.140 4.209 . 0 0 "[ . 1 . 2]" 1
612 1 30 LEU MD1 1 79 GLU HB3 5.500 . 5.500 2.487 2.000 2.960 . 0 0 "[ . 1 . 2]" 1
613 1 30 LEU MD1 1 80 MET HA 3.780 . 3.780 3.348 2.825 3.785 0.005 7 0 "[ . 1 . 2]" 1
614 1 30 LEU MD1 1 80 MET HG2 2.910 . 2.910 2.271 2.082 2.577 . 0 0 "[ . 1 . 2]" 1
615 1 30 LEU MD1 1 80 MET HG3 2.790 . 2.790 2.292 2.053 2.407 . 0 0 "[ . 1 . 2]" 1
616 1 30 LEU MD2 1 76 ILE HA 5.500 . 5.500 4.604 4.245 4.911 . 0 0 "[ . 1 . 2]" 1
617 1 30 LEU MD2 1 79 GLU HB2 5.500 . 5.500 3.570 3.202 3.877 . 0 0 "[ . 1 . 2]" 1
618 1 30 LEU MD2 1 79 GLU HB3 2.890 . 2.890 2.612 2.130 2.969 0.079 11 0 "[ . 1 . 2]" 1
619 1 30 LEU MD2 1 79 GLU HG2 5.500 . 5.500 3.813 1.896 4.953 . 0 0 "[ . 1 . 2]" 1
620 1 30 LEU MD2 1 79 GLU HG3 5.500 . 5.500 3.266 2.073 4.838 . 0 0 "[ . 1 . 2]" 1
621 1 31 LEU H 1 31 LEU HB2 3.730 . 3.730 3.355 2.756 3.721 . 0 0 "[ . 1 . 2]" 1
622 1 31 LEU H 1 31 LEU QD 4.160 . 4.160 3.132 2.060 3.658 . 0 0 "[ . 1 . 2]" 1
623 1 31 LEU H 1 76 ILE MD 3.190 . 3.190 3.058 2.746 3.242 0.052 7 0 "[ . 1 . 2]" 1
624 1 31 LEU H 1 76 ILE MG 3.580 . 3.580 3.449 3.271 3.577 . 0 0 "[ . 1 . 2]" 1
625 1 31 LEU HA 1 31 LEU HB3 2.970 . 2.970 2.711 2.539 2.968 . 0 0 "[ . 1 . 2]" 1
626 1 31 LEU HA 1 31 LEU QD 4.150 . 4.150 3.127 2.633 3.435 . 0 0 "[ . 1 . 2]" 1
627 1 31 LEU HA 1 32 TRP HA 5.500 . 5.500 4.564 4.491 4.668 . 0 0 "[ . 1 . 2]" 1
628 1 31 LEU HA 1 34 PHE H 5.500 . 5.500 3.561 3.360 3.784 . 0 0 "[ . 1 . 2]" 1
629 1 31 LEU HA 1 34 PHE HB2 5.500 . 5.500 5.518 5.261 5.557 0.057 19 0 "[ . 1 . 2]" 1
630 1 31 LEU HA 1 34 PHE HB3 4.160 . 4.160 4.168 3.601 4.252 0.092 20 0 "[ . 1 . 2]" 1
631 1 31 LEU HA 1 34 PHE QE 5.500 . 5.500 2.424 2.042 3.964 . 0 0 "[ . 1 . 2]" 1
632 1 31 LEU HA 1 76 ILE MD 2.630 . 2.630 2.215 1.960 2.358 . 0 0 "[ . 1 . 2]" 1
633 1 31 LEU HB2 1 33 ALA H 5.500 . 5.500 5.368 5.087 5.535 0.035 20 0 "[ . 1 . 2]" 1
634 1 31 LEU HB2 1 60 LEU MD2 5.500 . 5.500 5.052 4.609 5.430 . 0 0 "[ . 1 . 2]" 1
635 1 31 LEU HB2 1 76 ILE MD 3.370 . 3.370 2.772 2.347 3.075 . 0 0 "[ . 1 . 2]" 1
636 1 31 LEU HB2 1 76 ILE MG 4.540 . 4.540 4.106 3.425 4.534 . 0 0 "[ . 1 . 2]" 1
637 1 31 LEU HB3 1 32 TRP H 4.120 . 4.120 3.699 2.888 4.142 0.022 5 0 "[ . 1 . 2]" 1
638 1 31 LEU HB3 1 32 TRP HE3 5.050 . 5.050 4.645 3.565 5.135 0.085 19 0 "[ . 1 . 2]" 1
639 1 31 LEU HB3 1 60 LEU MD1 5.500 . 5.500 4.929 4.465 5.522 0.022 1 0 "[ . 1 . 2]" 1
640 1 31 LEU HB3 1 76 ILE MD 3.310 . 3.310 2.922 2.533 3.394 0.084 17 0 "[ . 1 . 2]" 1
641 1 31 LEU QD 1 32 TRP H 5.440 . 5.440 3.338 2.407 3.814 . 0 0 "[ . 1 . 2]" 1
642 1 31 LEU QD 1 32 TRP HA 5.440 . 5.440 3.488 2.736 4.083 . 0 0 "[ . 1 . 2]" 1
643 1 31 LEU QD 1 32 TRP HB2 4.000 . 4.000 3.690 2.993 4.065 0.065 8 0 "[ . 1 . 2]" 1
644 1 31 LEU QD 1 32 TRP HZ3 3.700 . 3.700 2.501 2.183 3.159 . 0 0 "[ . 1 . 2]" 1
645 1 31 LEU QD 1 34 PHE H 5.440 . 5.440 5.063 4.435 5.466 0.026 7 0 "[ . 1 . 2]" 1
646 1 31 LEU QD 1 34 PHE QE 3.690 . 3.690 2.757 1.885 3.598 . 0 0 "[ . 1 . 2]" 1
647 1 31 LEU QD 1 45 TRP HZ3 4.550 . 4.550 3.786 3.255 4.384 . 0 0 "[ . 1 . 2]" 1
648 1 31 LEU QD 1 48 VAL QG 5.370 . 5.370 3.005 2.612 3.364 . 0 0 "[ . 1 . 2]" 1
649 1 31 LEU QD 1 60 LEU MD2 5.440 . 5.440 2.730 2.333 3.145 . 0 0 "[ . 1 . 2]" 1
650 1 31 LEU QD 1 76 ILE MD 3.730 . 3.730 3.488 3.019 3.766 0.036 11 0 "[ . 1 . 2]" 1
651 1 31 LEU MD1 1 32 TRP HE3 3.850 . 3.850 2.933 1.964 3.858 0.008 14 0 "[ . 1 . 2]" 1
652 1 31 LEU MD1 1 76 ILE MD 4.270 . 4.270 3.910 3.098 4.348 0.078 9 0 "[ . 1 . 2]" 1
653 1 31 LEU MD2 1 32 TRP HE3 3.850 . 3.850 3.151 2.217 3.872 0.022 5 0 "[ . 1 . 2]" 1
654 1 31 LEU MD2 1 76 ILE MD 4.270 . 4.270 4.092 3.857 4.297 0.027 17 0 "[ . 1 . 2]" 1
655 1 31 LEU HG 1 32 TRP H 5.500 . 5.500 3.236 2.607 3.921 . 0 0 "[ . 1 . 2]" 1
656 1 31 LEU HG 1 32 TRP HA 5.500 . 5.500 3.811 3.291 4.279 . 0 0 "[ . 1 . 2]" 1
657 1 31 LEU HG 1 32 TRP HE3 4.250 . 4.250 2.477 2.000 2.822 . 0 0 "[ . 1 . 2]" 1
658 1 31 LEU HG 1 32 TRP HZ3 4.400 . 4.400 3.769 2.811 4.415 0.015 9 0 "[ . 1 . 2]" 1
659 1 31 LEU HG 1 45 TRP HZ3 5.500 . 5.500 4.465 3.621 5.506 0.006 14 0 "[ . 1 . 2]" 1
660 1 31 LEU HG 1 76 ILE MD 4.970 . 4.970 4.649 4.505 4.925 . 0 0 "[ . 1 . 2]" 1
661 1 32 TRP H 1 32 TRP HB2 2.650 . 2.650 2.214 2.077 2.312 . 0 0 "[ . 1 . 2]" 1
662 1 32 TRP HA 1 32 TRP HB2 2.930 . 2.930 2.732 2.694 2.778 . 0 0 "[ . 1 . 2]" 1
663 1 32 TRP HA 1 32 TRP HB3 2.960 . 2.960 2.931 2.904 2.954 . 0 0 "[ . 1 . 2]" 1
664 1 32 TRP HA 1 32 TRP HD1 4.440 . 4.440 4.023 3.937 4.119 . 0 0 "[ . 1 . 2]" 1
665 1 32 TRP HA 1 32 TRP HE3 2.650 . 2.650 2.715 2.662 2.795 0.145 15 0 "[ . 1 . 2]" 1
666 1 32 TRP HA 1 32 TRP HZ3 5.490 . 5.490 4.749 4.683 4.861 . 0 0 "[ . 1 . 2]" 1
667 1 32 TRP HA 1 36 LEU MD1 4.870 . 4.870 3.084 2.085 4.226 . 0 0 "[ . 1 . 2]" 1
668 1 32 TRP HA 1 36 LEU QD 3.630 . 3.630 2.557 2.053 3.503 . 0 0 "[ . 1 . 2]" 1
669 1 32 TRP HA 1 36 LEU MD2 4.870 . 4.870 2.907 2.296 4.614 . 0 0 "[ . 1 . 2]" 1
670 1 32 TRP HA 1 36 LEU HG 5.500 . 5.500 4.084 3.585 5.286 . 0 0 "[ . 1 . 2]" 1
671 1 32 TRP HA 1 45 TRP HZ3 5.500 . 5.500 4.644 4.462 4.896 . 0 0 "[ . 1 . 2]" 1
672 1 32 TRP HB2 1 32 TRP HE3 3.350 . 3.350 2.612 2.514 2.744 . 0 0 "[ . 1 . 2]" 1
673 1 32 TRP HB2 1 45 TRP HE3 5.500 . 5.500 4.122 3.716 4.640 . 0 0 "[ . 1 . 2]" 1
674 1 32 TRP HB2 1 45 TRP HZ3 4.430 . 4.430 2.381 2.177 2.688 . 0 0 "[ . 1 . 2]" 1
675 1 32 TRP HB3 1 32 TRP HD1 3.580 . 3.580 2.605 2.574 2.643 . 0 0 "[ . 1 . 2]" 1
676 1 32 TRP HB3 1 45 TRP HZ3 4.930 . 4.930 3.707 3.457 4.153 . 0 0 "[ . 1 . 2]" 1
677 1 32 TRP HD1 1 45 TRP HE3 5.500 . 5.500 5.048 4.405 5.544 0.044 11 0 "[ . 1 . 2]" 1
678 1 32 TRP HD1 1 45 TRP HZ3 5.500 . 5.500 4.683 4.072 5.136 . 0 0 "[ . 1 . 2]" 1
679 1 32 TRP HE3 1 36 LEU QD 5.440 . 5.440 3.552 3.072 4.870 . 0 0 "[ . 1 . 2]" 1
680 1 32 TRP HE3 1 45 TRP HE3 5.340 . 5.340 3.378 3.041 3.813 . 0 0 "[ . 1 . 2]" 1
681 1 32 TRP HE3 1 45 TRP HZ3 4.490 . 4.490 3.024 2.617 3.410 . 0 0 "[ . 1 . 2]" 1
682 1 32 TRP HE3 1 48 VAL QG 5.430 . 5.430 4.028 3.688 4.279 . 0 0 "[ . 1 . 2]" 1
683 1 32 TRP HH2 1 43 THR HA 4.500 . 4.500 4.481 4.248 4.590 0.090 15 0 "[ . 1 . 2]" 1
684 1 32 TRP HH2 1 43 THR HB 4.800 . 4.800 2.258 1.955 4.211 . 0 0 "[ . 1 . 2]" 1
685 1 32 TRP HH2 1 43 THR MG 3.640 . 3.640 2.854 2.266 3.640 . 0 0 "[ . 1 . 2]" 1
686 1 32 TRP HH2 1 44 PRO HD2 5.500 . 5.500 5.377 4.679 5.543 0.043 20 0 "[ . 1 . 2]" 1
687 1 32 TRP HH2 1 45 TRP HB2 5.500 . 5.500 3.261 2.467 3.695 . 0 0 "[ . 1 . 2]" 1
688 1 32 TRP HH2 1 48 VAL QG 4.130 . 4.130 3.439 2.425 3.885 . 0 0 "[ . 1 . 2]" 1
689 1 32 TRP HZ2 1 43 THR HB 5.310 . 5.310 4.195 3.725 5.335 0.025 15 0 "[ . 1 . 2]" 1
690 1 32 TRP HZ2 1 43 THR MG 5.500 . 5.500 4.779 2.393 5.420 . 0 0 "[ . 1 . 2]" 1
691 1 32 TRP HZ2 1 45 TRP HB2 5.440 . 5.440 2.996 2.465 3.314 . 0 0 "[ . 1 . 2]" 1
692 1 32 TRP HZ2 1 45 TRP HB3 4.810 . 4.810 4.223 3.736 4.589 . 0 0 "[ . 1 . 2]" 1
693 1 32 TRP HZ2 1 45 TRP HE3 5.330 . 5.330 3.714 3.255 4.057 . 0 0 "[ . 1 . 2]" 1
694 1 32 TRP HZ2 1 48 VAL QG 5.440 . 5.440 4.777 3.864 5.347 . 0 0 "[ . 1 . 2]" 1
695 1 32 TRP HZ3 1 45 TRP HE3 4.330 . 4.330 3.447 2.920 4.044 . 0 0 "[ . 1 . 2]" 1
696 1 32 TRP HZ3 1 48 VAL MG1 4.640 . 4.640 3.198 2.504 4.180 . 0 0 "[ . 1 . 2]" 1
697 1 32 TRP HZ3 1 48 VAL QG 3.800 . 3.800 2.917 2.444 3.298 . 0 0 "[ . 1 . 2]" 1
698 1 32 TRP HZ3 1 48 VAL MG2 4.640 . 4.640 3.585 2.980 4.048 . 0 0 "[ . 1 . 2]" 1
699 1 33 ALA H 1 33 ALA MB 2.400 . 2.400 2.307 2.243 2.403 0.003 18 0 "[ . 1 . 2]" 1
700 1 33 ALA MB 1 34 PHE H 5.500 . 5.500 2.841 2.485 3.175 . 0 0 "[ . 1 . 2]" 1
701 1 33 ALA MB 1 34 PHE HA 3.980 . 3.980 3.868 3.745 3.972 . 0 0 "[ . 1 . 2]" 1
702 1 33 ALA MB 1 34 PHE HB2 5.500 . 5.500 5.199 5.013 5.476 . 0 0 "[ . 1 . 2]" 1
703 1 33 ALA MB 1 34 PHE HB3 4.380 . 4.380 4.008 3.789 4.422 0.042 11 0 "[ . 1 . 2]" 1
704 1 34 PHE H 1 34 PHE HB2 3.590 . 3.590 3.646 3.616 3.673 0.083 1 0 "[ . 1 . 2]" 1
705 1 34 PHE H 1 34 PHE HB3 2.790 . 2.790 2.550 2.437 2.678 . 0 0 "[ . 1 . 2]" 1
706 1 34 PHE H 1 35 PRO HD2 5.500 . 5.500 4.829 4.762 4.949 . 0 0 "[ . 1 . 2]" 1
707 1 34 PHE H 1 76 ILE MD 4.790 . 4.790 4.507 4.231 4.760 . 0 0 "[ . 1 . 2]" 1
708 1 34 PHE HA 1 34 PHE HB2 2.970 . 2.970 2.423 2.389 2.462 . 0 0 "[ . 1 . 2]" 1
709 1 34 PHE HA 1 34 PHE QD 3.720 . 3.720 3.723 3.691 3.744 0.024 12 0 "[ . 1 . 2]" 1
710 1 34 PHE HA 1 35 PRO QB 5.060 . 5.060 4.722 4.576 4.821 . 0 0 "[ . 1 . 2]" 1
711 1 34 PHE HA 1 35 PRO HD2 2.540 . 2.540 2.447 2.258 2.568 0.028 17 0 "[ . 1 . 2]" 1
712 1 34 PHE HA 1 35 PRO HD3 2.940 . 2.940 2.481 2.251 2.647 . 0 0 "[ . 1 . 2]" 1
713 1 34 PHE HA 1 35 PRO QG 5.110 . 5.110 4.091 3.992 4.190 . 0 0 "[ . 1 . 2]" 1
714 1 34 PHE HB2 1 35 PRO HA 5.500 . 5.500 5.250 5.007 5.403 . 0 0 "[ . 1 . 2]" 1
715 1 34 PHE HB2 1 35 PRO HD2 2.830 . 2.830 2.165 2.032 2.377 . 0 0 "[ . 1 . 2]" 1
716 1 34 PHE HB2 1 35 PRO HD3 5.500 . 5.500 3.608 3.393 3.850 . 0 0 "[ . 1 . 2]" 1
717 1 34 PHE HB2 1 35 PRO QG 4.360 . 4.360 3.824 3.582 4.173 . 0 0 "[ . 1 . 2]" 1
718 1 34 PHE HB2 1 76 ILE MD 5.500 . 5.500 5.051 4.695 5.285 . 0 0 "[ . 1 . 2]" 1
719 1 34 PHE HB3 1 76 ILE MD 4.100 . 4.100 3.943 3.359 4.139 0.039 13 0 "[ . 1 . 2]" 1
720 1 34 PHE QD 1 35 PRO HD2 3.770 . 3.770 3.139 2.743 3.440 . 0 0 "[ . 1 . 2]" 1
721 1 34 PHE QD 1 35 PRO HD3 4.400 . 4.400 4.376 4.187 4.450 0.050 8 0 "[ . 1 . 2]" 1
722 1 34 PHE QD 1 36 LEU HA 4.030 . 4.030 3.308 2.797 3.770 . 0 0 "[ . 1 . 2]" 1
723 1 34 PHE QD 1 36 LEU QD 3.520 . 3.520 3.119 2.746 3.463 . 0 0 "[ . 1 . 2]" 1
724 1 34 PHE QD 1 36 LEU HG 5.500 . 5.500 4.742 3.716 5.358 . 0 0 "[ . 1 . 2]" 1
725 1 34 PHE QD 1 37 GLU HG2 5.500 . 5.500 5.492 4.843 5.601 0.101 12 0 "[ . 1 . 2]" 1
726 1 34 PHE QD 1 37 GLU HG3 5.500 . 5.500 4.355 3.406 4.816 . 0 0 "[ . 1 . 2]" 1
727 1 34 PHE QD 1 72 ALA MB 5.500 . 5.500 4.992 3.687 5.516 0.016 9 0 "[ . 1 . 2]" 1
728 1 34 PHE QD 1 76 ILE MD 5.500 . 5.500 2.514 2.263 3.028 . 0 0 "[ . 1 . 2]" 1
729 1 34 PHE QE 1 36 LEU QD 4.900 . 4.900 2.670 2.396 3.387 . 0 0 "[ . 1 . 2]" 1
730 1 34 PHE HZ 1 36 LEU HA 4.520 . 4.520 4.190 3.484 4.524 0.004 14 0 "[ . 1 . 2]" 1
731 1 34 PHE HZ 1 36 LEU MD1 5.060 . 5.060 5.019 4.246 5.174 0.114 6 0 "[ . 1 . 2]" 1
732 1 34 PHE HZ 1 36 LEU QD 3.930 . 3.930 3.076 2.765 4.020 0.090 11 0 "[ . 1 . 2]" 1
733 1 34 PHE HZ 1 36 LEU MD2 5.060 . 5.060 3.191 2.777 4.786 . 0 0 "[ . 1 . 2]" 1
734 1 34 PHE HZ 1 40 LEU QD 5.440 . 5.440 2.601 2.023 4.379 . 0 0 "[ . 1 . 2]" 1
735 1 34 PHE HZ 1 40 LEU HG 5.500 . 5.500 4.453 2.258 5.512 0.012 12 0 "[ . 1 . 2]" 1
736 1 34 PHE HZ 1 72 ALA MB 5.500 . 5.500 3.956 3.062 5.235 . 0 0 "[ . 1 . 2]" 1
737 1 35 PRO HA 1 36 LEU H 2.400 . 2.400 2.121 2.061 2.159 . 0 0 "[ . 1 . 2]" 1
738 1 35 PRO HA 1 36 LEU HA 5.500 . 5.500 4.397 4.364 4.440 . 0 0 "[ . 1 . 2]" 1
739 1 35 PRO HA 1 36 LEU HB2 5.500 . 5.500 4.562 4.341 4.687 . 0 0 "[ . 1 . 2]" 1
740 1 35 PRO HA 1 36 LEU MD1 5.500 . 5.500 4.987 3.201 5.469 . 0 0 "[ . 1 . 2]" 1
741 1 35 PRO HA 1 36 LEU QD 4.160 . 4.160 4.019 3.181 4.248 0.088 15 0 "[ . 1 . 2]" 1
742 1 35 PRO HA 1 36 LEU MD2 5.500 . 5.500 4.534 4.144 5.579 0.079 17 0 "[ . 1 . 2]" 1
743 1 35 PRO HA 1 36 LEU HG 5.500 . 5.500 4.216 3.633 5.504 0.004 14 0 "[ . 1 . 2]" 1
744 1 35 PRO HD2 1 36 LEU H 5.500 . 5.500 5.433 5.324 5.520 0.020 6 0 "[ . 1 . 2]" 1
745 1 36 LEU H 1 36 LEU HA 2.940 . 2.940 2.838 2.784 2.882 . 0 0 "[ . 1 . 2]" 1
746 1 36 LEU H 1 36 LEU HB2 3.110 . 3.110 2.495 2.291 2.581 . 0 0 "[ . 1 . 2]" 1
747 1 36 LEU H 1 36 LEU HB3 3.680 . 3.680 3.590 3.521 3.640 . 0 0 "[ . 1 . 2]" 1
748 1 36 LEU H 1 36 LEU MD1 5.500 . 5.500 3.468 1.987 3.862 . 0 0 "[ . 1 . 2]" 1
749 1 36 LEU H 1 36 LEU QD 4.260 . 4.260 2.806 1.982 3.035 . 0 0 "[ . 1 . 2]" 1
750 1 36 LEU H 1 36 LEU MD2 5.500 . 5.500 3.217 2.867 3.933 . 0 0 "[ . 1 . 2]" 1
751 1 36 LEU H 1 36 LEU HG 3.560 . 3.560 2.493 1.951 3.612 0.052 14 0 "[ . 1 . 2]" 1
752 1 36 LEU H 1 37 GLU HG3 5.500 . 5.500 5.194 4.078 5.550 0.050 15 0 "[ . 1 . 2]" 1
753 1 36 LEU HA 1 36 LEU HB3 2.990 . 2.990 2.444 2.387 2.548 . 0 0 "[ . 1 . 2]" 1
754 1 36 LEU HA 1 36 LEU MD1 3.980 . 3.980 3.686 2.897 3.932 . 0 0 "[ . 1 . 2]" 1
755 1 36 LEU HA 1 36 LEU QD 2.850 . 2.850 2.200 2.025 2.862 0.012 11 0 "[ . 1 . 2]" 1
756 1 36 LEU HA 1 36 LEU MD2 3.980 . 3.980 2.348 2.033 3.798 . 0 0 "[ . 1 . 2]" 1
757 1 36 LEU HA 1 36 LEU HG 3.640 . 3.640 3.171 2.556 3.370 . 0 0 "[ . 1 . 2]" 1
758 1 36 LEU HA 1 40 LEU QB 4.680 . 4.680 3.119 2.590 3.773 . 0 0 "[ . 1 . 2]" 1
759 1 36 LEU HA 1 40 LEU QD 5.440 . 5.440 3.133 2.150 4.599 . 0 0 "[ . 1 . 2]" 1
760 1 36 LEU HA 1 40 LEU HG 5.500 . 5.500 4.603 3.332 5.530 0.030 14 0 "[ . 1 . 2]" 1
761 1 36 LEU HB2 1 36 LEU QD 2.960 . 2.960 2.311 2.150 2.380 . 0 0 "[ . 1 . 2]" 1
762 1 36 LEU HB2 1 37 GLU HG3 5.500 . 5.500 5.551 4.986 5.666 0.166 17 0 "[ . 1 . 2]" 1
763 1 36 LEU HB2 1 41 GLN H 5.500 . 5.500 4.503 3.391 5.514 0.014 11 0 "[ . 1 . 2]" 1
764 1 36 LEU HB2 1 41 GLN QG 5.500 . 5.500 3.220 2.375 5.243 . 0 0 "[ . 1 . 2]" 1
765 1 36 LEU HB3 1 36 LEU MD1 3.340 . 3.340 2.452 2.271 3.223 . 0 0 "[ . 1 . 2]" 1
766 1 36 LEU HB3 1 36 LEU MD2 3.340 . 3.340 2.414 2.255 2.506 . 0 0 "[ . 1 . 2]" 1
767 1 36 LEU HB3 1 41 GLN H 5.500 . 5.500 3.702 2.686 4.662 . 0 0 "[ . 1 . 2]" 1
768 1 36 LEU HB3 1 41 GLN QG 4.850 . 4.850 3.806 2.835 4.884 0.034 11 0 "[ . 1 . 2]" 1
769 1 36 LEU QD 1 37 GLU H 4.820 . 4.820 3.654 3.339 4.283 . 0 0 "[ . 1 . 2]" 1
770 1 36 LEU QD 1 40 LEU QB 4.760 . 4.760 2.306 1.979 3.516 . 0 0 "[ . 1 . 2]" 1
771 1 36 LEU QD 1 40 LEU QD 5.370 . 5.370 2.650 1.835 3.928 . 0 0 "[ . 1 . 2]" 1
772 1 36 LEU QD 1 40 LEU HG 5.030 . 5.030 3.797 2.004 4.708 . 0 0 "[ . 1 . 2]" 1
773 1 36 LEU QD 1 41 GLN H 5.440 . 5.440 3.912 1.796 4.501 0.004 10 0 "[ . 1 . 2]" 1
774 1 36 LEU QD 1 41 GLN HA 3.030 . 3.030 2.609 1.936 3.093 0.063 8 0 "[ . 1 . 2]" 1
775 1 36 LEU QD 1 41 GLN QB 4.460 . 4.460 3.929 3.100 4.493 0.033 19 0 "[ . 1 . 2]" 1
776 1 36 LEU QD 1 41 GLN QE 5.270 . 5.270 4.623 2.808 5.335 0.065 14 0 "[ . 1 . 2]" 1
777 1 36 LEU QD 1 41 GLN QG 3.920 . 3.920 3.362 2.632 4.011 0.091 15 0 "[ . 1 . 2]" 1
778 1 36 LEU HG 1 40 LEU QD 5.440 . 5.440 4.593 2.591 5.477 0.037 6 0 "[ . 1 . 2]" 1
779 1 37 GLU H 1 37 GLU HG2 3.880 . 3.880 3.475 3.008 3.853 . 0 0 "[ . 1 . 2]" 1
780 1 37 GLU HA 1 37 GLU HG2 2.870 . 2.870 2.538 2.401 2.731 . 0 0 "[ . 1 . 2]" 1
781 1 37 GLU HA 1 37 GLU HG3 3.460 . 3.460 3.113 2.861 3.469 0.009 12 0 "[ . 1 . 2]" 1
782 1 37 GLU HG3 1 40 LEU QD 4.750 . 4.750 3.595 2.283 4.836 0.086 4 0 "[ . 1 . 2]" 1
783 1 38 ASP QB 1 39 VAL H 3.140 . 3.140 2.517 1.787 3.274 0.134 8 0 "[ . 1 . 2]" 1
784 1 38 ASP QB 1 39 VAL HA 5.500 . 5.500 4.327 3.970 4.904 . 0 0 "[ . 1 . 2]" 1
785 1 38 ASP QB 1 39 VAL QG 5.440 . 5.440 3.253 2.585 4.406 . 0 0 "[ . 1 . 2]" 1
786 1 39 VAL H 1 39 VAL HB 3.240 . 3.240 2.792 2.463 3.439 0.199 9 0 "[ . 1 . 2]" 1
787 1 39 VAL HA 1 39 VAL MG1 3.230 . 3.230 2.708 2.351 3.237 0.007 2 0 "[ . 1 . 2]" 1
788 1 39 VAL HA 1 39 VAL QG 2.510 . 2.510 2.203 2.122 2.336 . 0 0 "[ . 1 . 2]" 1
789 1 39 VAL HA 1 39 VAL MG2 3.230 . 3.230 2.391 2.299 2.515 . 0 0 "[ . 1 . 2]" 1
790 1 39 VAL HB 1 40 LEU QD 5.440 . 5.440 3.878 2.184 5.109 . 0 0 "[ . 1 . 2]" 1
791 1 39 VAL HB 1 63 THR HA 5.500 . 5.500 5.093 3.561 5.554 0.054 12 0 "[ . 1 . 2]" 1
792 1 39 VAL HB 1 63 THR HB 5.500 . 5.500 4.467 3.195 5.383 . 0 0 "[ . 1 . 2]" 1
793 1 39 VAL HB 1 63 THR MG 5.500 . 5.500 5.037 4.091 5.387 . 0 0 "[ . 1 . 2]" 1
794 1 39 VAL QG 1 40 LEU HA 5.440 . 5.440 3.483 3.099 4.096 . 0 0 "[ . 1 . 2]" 1
795 1 39 VAL QG 1 63 THR HA 3.050 . 3.050 2.660 2.283 2.965 . 0 0 "[ . 1 . 2]" 1
796 1 39 VAL QG 1 63 THR HB 2.780 . 2.780 2.496 1.962 2.832 0.052 16 0 "[ . 1 . 2]" 1
797 1 39 VAL QG 1 63 THR MG 3.040 . 3.040 2.744 2.050 3.113 0.073 8 0 "[ . 1 . 2]" 1
798 1 39 VAL QG 1 64 SER HA 5.440 . 5.440 3.411 2.663 4.129 . 0 0 "[ . 1 . 2]" 1
799 1 40 LEU HA 1 40 LEU QD 2.740 . 2.740 2.117 1.884 2.794 0.054 14 0 "[ . 1 . 2]" 1
800 1 40 LEU HA 1 43 THR MG 5.500 . 5.500 4.112 1.955 4.746 . 0 0 "[ . 1 . 2]" 1
801 1 40 LEU HA 1 63 THR HB 5.500 . 5.500 2.937 2.396 3.744 . 0 0 "[ . 1 . 2]" 1
802 1 40 LEU HA 1 63 THR MG 3.640 . 3.640 3.254 2.668 3.687 0.047 14 0 "[ . 1 . 2]" 1
803 1 40 LEU QB 1 43 THR MG 5.340 . 5.340 4.461 2.559 5.373 0.033 20 0 "[ . 1 . 2]" 1
804 1 40 LEU HB2 1 41 GLN H 5.500 . 5.500 3.348 2.790 4.315 . 0 0 "[ . 1 . 2]" 1
805 1 40 LEU HB2 1 63 THR HB 5.500 . 5.500 5.246 3.551 5.578 0.078 6 0 "[ . 1 . 2]" 1
806 1 40 LEU HB3 1 41 GLN H 5.500 . 5.500 3.719 1.772 4.173 0.028 10 0 "[ . 1 . 2]" 1
807 1 40 LEU HB3 1 63 THR HB 5.500 . 5.500 5.058 4.569 5.503 0.003 1 0 "[ . 1 . 2]" 1
808 1 40 LEU QD 1 60 LEU MD1 5.440 . 5.440 3.389 2.221 4.308 . 0 0 "[ . 1 . 2]" 1
809 1 40 LEU QD 1 63 THR HA 5.440 . 5.440 4.408 3.767 5.165 . 0 0 "[ . 1 . 2]" 1
810 1 40 LEU QD 1 63 THR HB 3.120 . 3.120 2.465 1.950 3.212 0.092 4 0 "[ . 1 . 2]" 1
811 1 40 LEU QD 1 64 SER QB 5.280 . 5.280 3.006 2.082 3.401 . 0 0 "[ . 1 . 2]" 1
812 1 40 LEU MD1 1 43 THR MG 5.500 . 5.500 4.300 2.652 5.552 0.052 13 0 "[ . 1 . 2]" 1
813 1 40 LEU MD2 1 43 THR MG 5.500 . 5.500 4.323 2.509 5.531 0.031 11 0 "[ . 1 . 2]" 1
814 1 40 LEU HG 1 63 THR HB 5.500 . 5.500 4.415 2.613 5.551 0.051 6 0 "[ . 1 . 2]" 1
815 1 41 GLN H 1 41 GLN QB 2.800 . 2.800 2.386 2.123 2.929 0.129 10 0 "[ . 1 . 2]" 1
816 1 41 GLN HA 1 41 GLN QG 2.840 . 2.840 2.501 2.347 2.858 0.018 12 0 "[ . 1 . 2]" 1
817 1 41 GLN QB 1 42 LYS HA 4.880 . 4.880 4.392 4.035 4.960 0.080 11 0 "[ . 1 . 2]" 1
818 1 41 GLN HB2 1 41 GLN QG 2.460 . 2.460 2.316 2.145 2.396 . 0 0 "[ . 1 . 2]" 1
819 1 41 GLN HB3 1 41 GLN QG 2.460 . 2.460 2.322 2.150 2.399 . 0 0 "[ . 1 . 2]" 1
820 1 42 LYS HA 1 42 LYS QB 2.530 . 2.530 2.256 2.169 2.399 . 0 0 "[ . 1 . 2]" 1
821 1 42 LYS HA 1 42 LYS QG 3.560 . 3.560 3.070 2.440 3.478 . 0 0 "[ . 1 . 2]" 1
822 1 42 LYS QD 1 42 LYS QE 2.400 . 2.400 2.056 1.976 2.103 . 0 0 "[ . 1 . 2]" 1
823 1 42 LYS QD 1 42 LYS QG 2.410 . 2.410 2.059 1.990 2.094 . 0 0 "[ . 1 . 2]" 1
824 1 42 LYS QD 1 43 THR H 5.500 . 5.500 4.652 3.234 5.427 . 0 0 "[ . 1 . 2]" 1
825 1 42 LYS QE 1 44 PRO HD2 5.500 . 5.500 5.204 4.275 5.621 0.121 9 0 "[ . 1 . 2]" 1
826 1 42 LYS QG 1 43 THR MG 5.340 . 5.340 4.904 3.265 5.460 0.120 13 0 "[ . 1 . 2]" 1
827 1 43 THR H 1 43 THR HB 4.100 . 4.100 2.944 2.421 3.615 . 0 0 "[ . 1 . 2]" 1
828 1 43 THR H 1 44 PRO HD2 4.700 . 4.700 4.487 3.778 4.746 0.046 7 0 "[ . 1 . 2]" 1
829 1 43 THR H 1 44 PRO HD3 4.530 . 4.530 4.355 3.594 4.652 0.122 3 0 "[ . 1 . 2]" 1
830 1 43 THR H 1 63 THR MG 5.500 . 5.500 3.462 2.545 4.514 . 0 0 "[ . 1 . 2]" 1
831 1 43 THR HA 1 44 PRO HD2 2.640 . 2.640 1.985 1.827 2.162 . 0 0 "[ . 1 . 2]" 1
832 1 43 THR HA 1 44 PRO HD3 2.780 . 2.780 2.479 2.169 2.792 0.012 9 0 "[ . 1 . 2]" 1
833 1 43 THR HB 1 48 VAL QG 5.440 . 5.440 4.128 3.480 4.977 . 0 0 "[ . 1 . 2]" 1
834 1 43 THR MG 1 44 PRO HG2 5.500 . 5.500 3.943 3.316 5.555 0.055 15 0 "[ . 1 . 2]" 1
835 1 43 THR MG 1 45 TRP H 5.500 . 5.500 4.473 3.942 5.553 0.053 9 0 "[ . 1 . 2]" 1
836 1 43 THR MG 1 48 VAL QG 5.440 . 5.440 2.633 2.138 3.958 . 0 0 "[ . 1 . 2]" 1
837 1 43 THR MG 1 59 ILE MG 5.500 . 5.500 2.669 2.046 4.809 . 0 0 "[ . 1 . 2]" 1
838 1 43 THR MG 1 60 LEU MD2 5.500 . 5.500 4.351 3.705 5.563 0.063 15 0 "[ . 1 . 2]" 1
839 1 44 PRO HA 1 45 TRP H 2.450 . 2.450 2.240 2.178 2.333 . 0 0 "[ . 1 . 2]" 1
840 1 44 PRO HA 1 46 SER H 5.500 . 5.500 3.480 3.259 3.621 . 0 0 "[ . 1 . 2]" 1
841 1 44 PRO QB 1 45 TRP H 4.020 . 4.020 3.739 3.643 3.847 . 0 0 "[ . 1 . 2]" 1
842 1 44 PRO QB 1 46 SER QB 4.200 . 4.200 3.586 3.173 4.161 . 0 0 "[ . 1 . 2]" 1
843 1 44 PRO QB 1 47 GLU H 4.650 . 4.650 2.531 2.341 2.719 . 0 0 "[ . 1 . 2]" 1
844 1 44 PRO HB2 1 46 SER H 5.500 . 5.500 3.775 3.358 4.101 . 0 0 "[ . 1 . 2]" 1
845 1 44 PRO HB3 1 46 SER H 5.500 . 5.500 4.621 4.301 4.886 . 0 0 "[ . 1 . 2]" 1
846 1 44 PRO HD2 1 47 GLU QB 5.000 . 5.000 4.574 3.991 5.046 0.046 9 0 "[ . 1 . 2]" 1
847 1 44 PRO HD2 1 62 ASN HD22 4.930 . 4.930 4.815 3.904 4.989 0.059 14 0 "[ . 1 . 2]" 1
848 1 44 PRO HG2 1 63 THR MG 5.500 . 5.500 4.770 4.049 5.406 . 0 0 "[ . 1 . 2]" 1
849 1 44 PRO HG3 1 47 GLU H 5.240 . 5.240 5.022 4.734 5.256 0.016 13 0 "[ . 1 . 2]" 1
850 1 44 PRO HG3 1 59 ILE HG12 5.500 . 5.500 5.072 4.524 5.510 0.010 9 0 "[ . 1 . 2]" 1
851 1 44 PRO HG3 1 62 ASN HB3 5.500 . 5.500 5.522 5.381 5.574 0.074 6 0 "[ . 1 . 2]" 1
852 1 44 PRO HG3 1 62 ASN HD22 5.340 . 5.340 3.953 3.326 4.391 . 0 0 "[ . 1 . 2]" 1
853 1 44 PRO HG3 1 63 THR MG 5.500 . 5.500 4.703 4.082 5.236 . 0 0 "[ . 1 . 2]" 1
854 1 45 TRP H 1 45 TRP HB2 3.110 . 3.110 2.640 2.575 2.688 . 0 0 "[ . 1 . 2]" 1
855 1 45 TRP H 1 45 TRP HB3 3.020 . 3.020 2.504 2.407 2.577 . 0 0 "[ . 1 . 2]" 1
856 1 45 TRP HA 1 45 TRP HD1 4.180 . 4.180 4.139 4.046 4.210 0.030 6 0 "[ . 1 . 2]" 1
857 1 45 TRP HA 1 45 TRP HE3 3.700 . 3.700 3.472 3.238 3.636 . 0 0 "[ . 1 . 2]" 1
858 1 45 TRP HA 1 48 VAL H 5.500 . 5.500 2.917 2.828 3.035 . 0 0 "[ . 1 . 2]" 1
859 1 45 TRP HA 1 48 VAL HB 4.030 . 4.030 3.819 2.042 4.158 0.128 9 0 "[ . 1 . 2]" 1
860 1 45 TRP HA 1 48 VAL MG1 4.330 . 4.330 2.382 2.107 3.557 . 0 0 "[ . 1 . 2]" 1
861 1 45 TRP HA 1 48 VAL QG 2.950 . 2.950 1.858 1.777 2.224 0.023 1 0 "[ . 1 . 2]" 1
862 1 45 TRP HA 1 48 VAL MG2 4.330 . 4.330 1.963 1.874 2.251 . 0 0 "[ . 1 . 2]" 1
863 1 45 TRP HB2 1 45 TRP HD1 3.880 . 3.880 3.838 3.805 3.872 . 0 0 "[ . 1 . 2]" 1
864 1 45 TRP HB2 1 45 TRP HZ3 5.500 . 5.500 4.951 4.861 5.025 . 0 0 "[ . 1 . 2]" 1
865 1 45 TRP HB2 1 46 SER H 5.500 . 5.500 4.100 4.009 4.222 . 0 0 "[ . 1 . 2]" 1
866 1 45 TRP HB3 1 45 TRP HD1 3.310 . 3.310 2.728 2.681 2.786 . 0 0 "[ . 1 . 2]" 1
867 1 45 TRP HD1 1 46 SER HA 3.820 . 3.820 3.209 3.020 3.662 . 0 0 "[ . 1 . 2]" 1
868 1 45 TRP HD1 1 46 SER QB 4.790 . 4.790 4.638 4.076 4.881 0.091 17 0 "[ . 1 . 2]" 1
869 1 45 TRP HD1 1 48 VAL MG1 5.500 . 5.500 5.530 5.278 5.588 0.088 20 0 "[ . 1 . 2]" 1
870 1 45 TRP HD1 1 48 VAL QG 4.790 . 4.790 3.972 3.662 4.838 0.048 8 0 "[ . 1 . 2]" 1
871 1 45 TRP HD1 1 48 VAL MG2 5.500 . 5.500 4.138 3.716 5.547 0.047 16 0 "[ . 1 . 2]" 1
872 1 45 TRP HD1 1 49 GLU HB3 4.960 . 4.960 4.751 4.275 4.978 0.018 19 0 "[ . 1 . 2]" 1
873 1 45 TRP HD1 1 49 GLU HG2 3.980 . 3.980 3.993 3.765 4.069 0.089 8 0 "[ . 1 . 2]" 1
874 1 45 TRP HD1 1 49 GLU HG3 4.190 . 4.190 3.225 2.369 4.002 . 0 0 "[ . 1 . 2]" 1
875 1 45 TRP HE1 1 49 GLU HB2 4.230 . 4.230 3.834 3.209 4.342 0.112 5 0 "[ . 1 . 2]" 1
876 1 45 TRP HE1 1 49 GLU HB3 4.890 . 4.890 4.742 4.517 4.901 0.011 18 0 "[ . 1 . 2]" 1
877 1 45 TRP HE1 1 49 GLU HG2 3.660 . 3.660 2.692 2.440 3.118 . 0 0 "[ . 1 . 2]" 1
878 1 45 TRP HE1 1 49 GLU HG3 3.940 . 3.940 2.458 1.943 2.956 . 0 0 "[ . 1 . 2]" 1
879 1 45 TRP HE3 1 48 VAL MG1 4.840 . 4.840 3.893 3.207 4.203 . 0 0 "[ . 1 . 2]" 1
880 1 45 TRP HE3 1 48 VAL QG 4.050 . 4.050 2.794 2.610 3.099 . 0 0 "[ . 1 . 2]" 1
881 1 45 TRP HE3 1 48 VAL MG2 4.840 . 4.840 2.900 2.647 3.537 . 0 0 "[ . 1 . 2]" 1
882 1 45 TRP HZ2 1 48 VAL QG 5.440 . 5.440 4.365 4.157 4.597 . 0 0 "[ . 1 . 2]" 1
883 1 45 TRP HZ2 1 49 GLU HG2 4.350 . 4.350 3.924 3.417 4.364 0.014 12 0 "[ . 1 . 2]" 1
884 1 45 TRP HZ2 1 49 GLU HG3 5.290 . 5.290 4.561 4.076 5.299 0.009 18 0 "[ . 1 . 2]" 1
885 1 45 TRP HZ3 1 48 VAL MG1 5.500 . 5.500 4.980 3.215 5.535 0.035 15 0 "[ . 1 . 2]" 1
886 1 45 TRP HZ3 1 48 VAL QG 4.520 . 4.520 3.591 3.132 3.901 . 0 0 "[ . 1 . 2]" 1
887 1 45 TRP HZ3 1 48 VAL MG2 5.500 . 5.500 3.839 3.538 4.744 . 0 0 "[ . 1 . 2]" 1
888 1 46 SER H 1 46 SER QB 2.630 . 2.630 2.412 2.228 2.568 . 0 0 "[ . 1 . 2]" 1
889 1 46 SER HA 1 49 GLU H 3.890 . 3.890 3.628 3.300 3.809 . 0 0 "[ . 1 . 2]" 1
890 1 46 SER HA 1 49 GLU HA 5.500 . 5.500 5.453 4.895 5.572 0.072 1 0 "[ . 1 . 2]" 1
891 1 46 SER HA 1 49 GLU HB2 3.250 . 3.250 2.803 2.300 3.034 . 0 0 "[ . 1 . 2]" 1
892 1 46 SER HA 1 49 GLU HB3 5.500 . 5.500 3.774 2.909 4.338 . 0 0 "[ . 1 . 2]" 1
893 1 46 SER HA 1 49 GLU HG2 5.500 . 5.500 5.002 4.551 5.315 . 0 0 "[ . 1 . 2]" 1
894 1 46 SER HA 1 49 GLU HG3 5.500 . 5.500 4.110 3.495 4.710 . 0 0 "[ . 1 . 2]" 1
895 1 46 SER QB 1 47 GLU H 4.180 . 4.180 2.759 2.505 3.274 . 0 0 "[ . 1 . 2]" 1
896 1 47 GLU H 1 47 GLU QB 2.600 . 2.600 2.343 2.120 2.467 . 0 0 "[ . 1 . 2]" 1
897 1 47 GLU H 1 47 GLU QG 3.150 . 3.150 2.589 2.331 2.990 . 0 0 "[ . 1 . 2]" 1
898 1 47 GLU H 1 48 VAL QG 4.380 . 4.380 3.526 3.282 3.880 . 0 0 "[ . 1 . 2]" 1
899 1 47 GLU H 1 59 ILE MD 5.500 . 5.500 4.501 4.162 4.809 . 0 0 "[ . 1 . 2]" 1
900 1 47 GLU HA 1 47 GLU QB 2.520 . 2.520 2.409 2.362 2.488 . 0 0 "[ . 1 . 2]" 1
901 1 47 GLU HA 1 47 GLU QG 2.970 . 2.970 2.654 2.298 2.974 0.004 18 0 "[ . 1 . 2]" 1
902 1 47 GLU HA 1 48 VAL H 3.550 . 3.550 3.531 3.486 3.559 0.009 14 0 "[ . 1 . 2]" 1
903 1 47 GLU HA 1 48 VAL HA 5.500 . 5.500 4.765 4.692 4.898 . 0 0 "[ . 1 . 2]" 1
904 1 47 GLU HA 1 48 VAL QG 4.850 . 4.850 4.621 4.539 4.809 . 0 0 "[ . 1 . 2]" 1
905 1 47 GLU QB 1 48 VAL H 3.220 . 3.220 2.545 2.304 2.809 . 0 0 "[ . 1 . 2]" 1
906 1 47 GLU QB 1 48 VAL QG 3.210 . 3.210 3.143 2.978 3.278 0.068 15 0 "[ . 1 . 2]" 1
907 1 47 GLU QB 1 51 ALA MB 5.500 . 5.500 3.660 3.093 4.153 . 0 0 "[ . 1 . 2]" 1
908 1 47 GLU QB 1 59 ILE MD 2.990 . 2.990 2.246 1.915 2.712 . 0 0 "[ . 1 . 2]" 1
909 1 47 GLU QG 1 48 VAL QG 5.280 . 5.280 4.543 4.363 4.760 . 0 0 "[ . 1 . 2]" 1
910 1 47 GLU QG 1 59 ILE HG12 5.340 . 5.340 4.139 3.165 5.322 . 0 0 "[ . 1 . 2]" 1
911 1 47 GLU HG2 1 59 ILE MD 5.500 . 5.500 4.680 4.424 4.935 . 0 0 "[ . 1 . 2]" 1
912 1 47 GLU HG3 1 59 ILE MD 5.500 . 5.500 4.354 3.833 5.193 . 0 0 "[ . 1 . 2]" 1
913 1 48 VAL H 1 48 VAL HB 3.720 . 3.720 3.489 2.583 3.666 . 0 0 "[ . 1 . 2]" 1
914 1 48 VAL H 1 48 VAL QG 2.680 . 2.680 1.912 1.871 1.997 . 0 0 "[ . 1 . 2]" 1
915 1 48 VAL H 1 59 ILE MD 5.500 . 5.500 3.107 2.815 3.502 . 0 0 "[ . 1 . 2]" 1
916 1 48 VAL HA 1 48 VAL MG1 3.260 . 3.260 2.572 2.462 2.628 . 0 0 "[ . 1 . 2]" 1
917 1 48 VAL HA 1 48 VAL QG 2.560 . 2.560 2.442 2.164 2.518 . 0 0 "[ . 1 . 2]" 1
918 1 48 VAL HA 1 48 VAL MG2 3.260 . 3.260 3.107 2.388 3.244 . 0 0 "[ . 1 . 2]" 1
919 1 48 VAL HA 1 49 GLU H 3.510 . 3.510 3.468 3.369 3.543 0.033 8 0 "[ . 1 . 2]" 1
920 1 48 VAL HA 1 51 ALA HA 5.500 . 5.500 5.228 4.851 5.512 0.012 8 0 "[ . 1 . 2]" 1
921 1 48 VAL HA 1 51 ALA MB 2.720 . 2.720 2.333 1.969 2.609 . 0 0 "[ . 1 . 2]" 1
922 1 48 VAL HA 1 56 LEU HA 4.280 . 4.280 3.820 3.547 4.135 . 0 0 "[ . 1 . 2]" 1
923 1 48 VAL HA 1 56 LEU MD1 3.160 . 3.160 2.508 2.225 2.901 . 0 0 "[ . 1 . 2]" 1
924 1 48 VAL HA 1 59 ILE MD 2.800 . 2.800 2.172 2.096 2.263 . 0 0 "[ . 1 . 2]" 1
925 1 48 VAL HA 1 59 ILE HG12 4.640 . 4.640 4.675 4.644 4.707 0.067 1 0 "[ . 1 . 2]" 1
926 1 48 VAL HA 1 59 ILE MG 5.500 . 5.500 3.548 3.238 3.973 . 0 0 "[ . 1 . 2]" 1
927 1 48 VAL HB 1 49 GLU H 4.460 . 4.460 3.894 2.407 4.194 . 0 0 "[ . 1 . 2]" 1
928 1 48 VAL HB 1 56 LEU MD2 5.500 . 5.500 4.273 3.797 5.550 0.050 16 0 "[ . 1 . 2]" 1
929 1 48 VAL QG 1 49 GLU H 3.810 . 3.810 2.500 2.328 3.172 . 0 0 "[ . 1 . 2]" 1
930 1 48 VAL QG 1 49 GLU HA 3.990 . 3.990 3.058 2.810 3.515 . 0 0 "[ . 1 . 2]" 1
931 1 48 VAL QG 1 49 GLU HG2 5.440 . 5.440 3.822 2.763 5.023 . 0 0 "[ . 1 . 2]" 1
932 1 48 VAL QG 1 49 GLU HG3 5.440 . 5.440 4.357 3.137 5.491 0.051 16 0 "[ . 1 . 2]" 1
933 1 48 VAL QG 1 50 GLU H 5.440 . 5.440 4.472 4.303 4.748 . 0 0 "[ . 1 . 2]" 1
934 1 48 VAL QG 1 51 ALA MB 5.440 . 5.440 3.743 3.468 4.012 . 0 0 "[ . 1 . 2]" 1
935 1 48 VAL QG 1 56 LEU MD1 2.900 . 2.900 2.502 1.880 2.732 . 0 0 "[ . 1 . 2]" 1
936 1 48 VAL QG 1 56 LEU MD2 5.440 . 5.440 3.930 2.839 4.367 . 0 0 "[ . 1 . 2]" 1
937 1 48 VAL QG 1 59 ILE H 5.440 . 5.440 5.283 5.104 5.458 0.018 14 0 "[ . 1 . 2]" 1
938 1 48 VAL QG 1 59 ILE HG12 4.180 . 4.180 4.078 3.783 4.223 0.043 4 0 "[ . 1 . 2]" 1
939 1 48 VAL QG 1 59 ILE MG 2.400 . 2.400 1.932 1.872 2.059 . 0 0 "[ . 1 . 2]" 1
940 1 48 VAL QG 1 60 LEU MD1 5.440 . 5.440 4.826 4.350 5.104 . 0 0 "[ . 1 . 2]" 1
941 1 49 GLU H 1 49 GLU HB2 3.010 . 3.010 2.056 1.969 2.128 . 0 0 "[ . 1 . 2]" 1
942 1 49 GLU H 1 49 GLU HB3 3.290 . 3.290 3.113 2.805 3.378 0.088 5 0 "[ . 1 . 2]" 1
943 1 49 GLU H 1 49 GLU HG2 4.240 . 4.240 3.751 2.940 4.015 . 0 0 "[ . 1 . 2]" 1
944 1 49 GLU H 1 49 GLU HG3 5.500 . 5.500 3.948 2.919 4.465 . 0 0 "[ . 1 . 2]" 1
945 1 49 GLU HA 1 49 GLU HB2 2.950 . 2.950 2.743 2.613 2.898 . 0 0 "[ . 1 . 2]" 1
946 1 49 GLU HA 1 49 GLU HG2 2.930 . 2.930 2.162 1.958 2.398 . 0 0 "[ . 1 . 2]" 1
947 1 49 GLU HA 1 49 GLU HG3 3.260 . 3.260 3.241 2.656 3.466 0.206 16 0 "[ . 1 . 2]" 1
948 1 49 GLU HA 1 51 ALA H 5.500 . 5.500 4.028 3.750 4.520 . 0 0 "[ . 1 . 2]" 1
949 1 49 GLU HB2 1 50 GLU H 3.440 . 3.440 3.105 2.656 3.445 0.005 7 0 "[ . 1 . 2]" 1
950 1 49 GLU HB3 1 50 GLU H 3.040 . 3.040 2.582 2.192 3.061 0.021 19 0 "[ . 1 . 2]" 1
951 1 49 GLU HB3 1 50 GLU HA 4.020 . 4.020 3.710 3.477 3.990 . 0 0 "[ . 1 . 2]" 1
952 1 49 GLU HG2 1 50 GLU HA 5.500 . 5.500 5.614 5.515 5.786 0.286 19 0 "[ . 1 . 2]" 1
953 1 50 GLU H 1 50 GLU QB 2.720 . 2.720 2.429 2.349 2.525 . 0 0 "[ . 1 . 2]" 1
954 1 50 GLU H 1 50 GLU QG 2.810 . 2.810 2.444 2.174 2.734 . 0 0 "[ . 1 . 2]" 1
955 1 50 GLU HA 1 50 GLU QB 2.450 . 2.450 2.377 2.330 2.448 . 0 0 "[ . 1 . 2]" 1
956 1 50 GLU HA 1 50 GLU QG 2.460 . 2.460 2.386 2.303 2.622 0.162 17 0 "[ . 1 . 2]" 1
957 1 50 GLU HA 1 51 ALA MB 5.500 . 5.500 4.818 4.707 4.942 . 0 0 "[ . 1 . 2]" 1
958 1 50 GLU QB 1 51 ALA H 3.550 . 3.550 3.316 2.791 3.569 0.019 5 0 "[ . 1 . 2]" 1
959 1 50 GLU HB2 1 51 ALA H 4.230 . 4.230 3.485 2.870 3.814 . 0 0 "[ . 1 . 2]" 1
960 1 50 GLU HB3 1 51 ALA H 4.230 . 4.230 4.185 3.813 4.300 0.070 20 0 "[ . 1 . 2]" 1
961 1 51 ALA H 1 51 ALA MB 2.400 . 2.400 2.269 2.186 2.390 . 0 0 "[ . 1 . 2]" 1
962 1 51 ALA HA 1 52 ASP H 2.400 . 2.400 2.118 2.027 2.272 . 0 0 "[ . 1 . 2]" 1
963 1 51 ALA HA 1 52 ASP HA 5.500 . 5.500 4.326 4.265 4.426 . 0 0 "[ . 1 . 2]" 1
964 1 51 ALA HA 1 52 ASP HB2 5.500 . 5.500 5.558 5.523 5.582 0.082 20 0 "[ . 1 . 2]" 1
965 1 51 ALA HA 1 52 ASP HB3 5.160 . 5.160 4.366 4.235 4.515 . 0 0 "[ . 1 . 2]" 1
966 1 51 ALA HA 1 55 LYS HA 5.500 . 5.500 5.423 5.142 5.536 0.036 20 0 "[ . 1 . 2]" 1
967 1 51 ALA HA 1 55 LYS HB2 3.330 . 3.330 2.902 2.643 3.354 0.024 10 0 "[ . 1 . 2]" 1
968 1 51 ALA HA 1 55 LYS HB3 3.240 . 3.240 2.911 2.347 3.134 . 0 0 "[ . 1 . 2]" 1
969 1 51 ALA HA 1 55 LYS HG3 3.430 . 3.430 3.433 3.207 3.508 0.078 12 0 "[ . 1 . 2]" 1
970 1 51 ALA HA 1 56 LEU MD1 5.500 . 5.500 5.255 4.984 5.492 . 0 0 "[ . 1 . 2]" 1
971 1 51 ALA HA 1 59 ILE MD 4.190 . 4.190 4.163 4.057 4.235 0.045 3 0 "[ . 1 . 2]" 1
972 1 51 ALA MB 1 52 ASP H 3.120 . 3.120 2.717 2.372 2.922 . 0 0 "[ . 1 . 2]" 1
973 1 51 ALA MB 1 55 LYS HB2 5.500 . 5.500 2.581 2.269 3.379 . 0 0 "[ . 1 . 2]" 1
974 1 51 ALA MB 1 55 LYS HB3 2.400 . 2.400 1.998 1.880 2.130 . 0 0 "[ . 1 . 2]" 1
975 1 51 ALA MB 1 55 LYS QE 3.120 . 3.120 2.861 1.959 3.152 0.032 13 0 "[ . 1 . 2]" 1
976 1 51 ALA MB 1 56 LEU H 3.070 . 3.070 2.908 2.743 3.076 0.006 18 0 "[ . 1 . 2]" 1
977 1 51 ALA MB 1 56 LEU HA 5.500 . 5.500 2.622 2.266 2.815 . 0 0 "[ . 1 . 2]" 1
978 1 51 ALA MB 1 56 LEU MD1 5.500 . 5.500 2.721 2.341 2.970 . 0 0 "[ . 1 . 2]" 1
979 1 51 ALA MB 1 58 GLU QB 5.500 . 5.500 4.644 4.469 4.959 . 0 0 "[ . 1 . 2]" 1
980 1 51 ALA MB 1 59 ILE MD 2.670 . 2.670 1.996 1.922 2.068 . 0 0 "[ . 1 . 2]" 1
981 1 52 ASP H 1 52 ASP HB3 3.930 . 3.930 3.169 3.047 3.356 . 0 0 "[ . 1 . 2]" 1
982 1 52 ASP H 1 55 LYS HB2 5.500 . 5.500 2.145 2.008 2.282 . 0 0 "[ . 1 . 2]" 1
983 1 52 ASP H 1 55 LYS HB3 3.450 . 3.450 3.277 2.311 3.475 0.025 5 0 "[ . 1 . 2]" 1
984 1 52 ASP H 1 55 LYS HG2 5.500 . 5.500 4.259 3.978 4.613 . 0 0 "[ . 1 . 2]" 1
985 1 52 ASP H 1 55 LYS HG3 3.830 . 3.830 3.699 3.482 3.859 0.029 3 0 "[ . 1 . 2]" 1
986 1 52 ASP H 1 56 LEU HB2 5.500 . 5.500 4.219 3.900 4.590 . 0 0 "[ . 1 . 2]" 1
987 1 52 ASP H 1 59 ILE MD 5.080 . 5.080 4.984 4.690 5.120 0.040 1 0 "[ . 1 . 2]" 1
988 1 52 ASP HA 1 52 ASP HB2 2.710 . 2.710 2.392 2.337 2.459 . 0 0 "[ . 1 . 2]" 1
989 1 52 ASP HA 1 52 ASP HB3 2.500 . 2.500 2.508 2.445 2.552 0.052 7 0 "[ . 1 . 2]" 1
990 1 52 ASP HA 1 53 GLY H 2.670 . 2.670 2.231 2.162 2.350 . 0 0 "[ . 1 . 2]" 1
991 1 52 ASP HA 1 53 GLY HA2 4.640 . 4.640 4.415 4.345 4.475 . 0 0 "[ . 1 . 2]" 1
992 1 52 ASP HA 1 53 GLY HA3 4.590 . 4.590 4.475 4.402 4.583 . 0 0 "[ . 1 . 2]" 1
993 1 52 ASP HA 1 56 LEU HA 5.500 . 5.500 5.429 5.044 5.561 0.061 16 0 "[ . 1 . 2]" 1
994 1 52 ASP HB2 1 53 GLY H 3.280 . 3.280 2.769 2.507 2.940 . 0 0 "[ . 1 . 2]" 1
995 1 52 ASP HB2 1 53 GLY HA2 5.500 . 5.500 4.671 4.465 4.785 . 0 0 "[ . 1 . 2]" 1
996 1 52 ASP HB2 1 53 GLY HA3 5.500 . 5.500 4.138 3.966 4.289 . 0 0 "[ . 1 . 2]" 1
997 1 52 ASP HB3 1 53 GLY HA3 5.500 . 5.500 5.499 5.398 5.537 0.037 19 0 "[ . 1 . 2]" 1
998 1 53 GLY H 1 53 GLY HA2 2.660 . 2.660 2.281 2.254 2.307 . 0 0 "[ . 1 . 2]" 1
999 1 53 GLY H 1 53 GLY HA3 2.860 . 2.860 2.693 2.670 2.726 . 0 0 "[ . 1 . 2]" 1
1000 1 53 GLY HA2 1 54 LYS H 3.460 . 3.460 3.347 3.312 3.387 . 0 0 "[ . 1 . 2]" 1
1001 1 53 GLY HA2 1 55 LYS H 5.500 . 5.500 4.839 4.708 5.026 . 0 0 "[ . 1 . 2]" 1
1002 1 53 GLY HA2 1 56 LEU HB2 5.060 . 5.060 4.811 4.671 4.975 . 0 0 "[ . 1 . 2]" 1
1003 1 53 GLY HA2 1 56 LEU HB3 4.090 . 4.090 4.048 3.955 4.111 0.021 14 0 "[ . 1 . 2]" 1
1004 1 53 GLY HA2 1 57 ALA H 5.500 . 5.500 4.778 4.589 4.961 . 0 0 "[ . 1 . 2]" 1
1005 1 53 GLY HA3 1 54 LYS H 3.240 . 3.240 2.107 2.075 2.157 . 0 0 "[ . 1 . 2]" 1
1006 1 53 GLY HA3 1 55 LYS H 4.660 . 4.660 4.024 3.879 4.180 . 0 0 "[ . 1 . 2]" 1
1007 1 53 GLY HA3 1 55 LYS HB2 5.500 . 5.500 5.479 5.336 5.524 0.024 11 0 "[ . 1 . 2]" 1
1008 1 53 GLY HA3 1 56 LEU HB2 5.500 . 5.500 5.532 5.503 5.570 0.070 14 0 "[ . 1 . 2]" 1
1009 1 53 GLY HA3 1 56 LEU HB3 5.500 . 5.500 5.105 4.949 5.226 . 0 0 "[ . 1 . 2]" 1
1010 1 53 GLY HA3 1 57 ALA H 5.500 . 5.500 5.415 5.285 5.545 0.045 16 0 "[ . 1 . 2]" 1
1011 1 54 LYS H 1 54 LYS QB 2.430 . 2.430 2.212 2.134 2.268 . 0 0 "[ . 1 . 2]" 1
1012 1 54 LYS H 1 54 LYS HG2 4.460 . 4.460 4.358 4.272 4.404 . 0 0 "[ . 1 . 2]" 1
1013 1 54 LYS H 1 54 LYS HG3 4.600 . 4.600 4.402 4.231 4.485 . 0 0 "[ . 1 . 2]" 1
1014 1 54 LYS HA 1 54 LYS QB 2.590 . 2.590 2.421 2.384 2.462 . 0 0 "[ . 1 . 2]" 1
1015 1 54 LYS HA 1 54 LYS QD 4.350 . 4.350 4.072 3.894 4.168 . 0 0 "[ . 1 . 2]" 1
1016 1 54 LYS HA 1 54 LYS QE 3.710 . 3.710 3.609 3.066 3.966 0.256 16 0 "[ . 1 . 2]" 1
1017 1 54 LYS HA 1 54 LYS HG2 2.620 . 2.620 2.321 2.157 2.426 . 0 0 "[ . 1 . 2]" 1
1018 1 54 LYS HA 1 54 LYS QG 3.540 . 3.540 2.250 2.109 2.339 . 0 0 "[ . 1 . 2]" 1
1019 1 54 LYS HA 1 54 LYS HG3 3.570 . 3.570 3.109 2.464 3.542 . 0 0 "[ . 1 . 2]" 1
1020 1 54 LYS HA 1 56 LEU H 5.500 . 5.500 4.308 4.207 4.390 . 0 0 "[ . 1 . 2]" 1
1021 1 54 LYS HA 1 57 ALA MB 2.980 . 2.980 2.738 2.458 2.910 . 0 0 "[ . 1 . 2]" 1
1022 1 54 LYS QB 1 54 LYS HG2 2.560 . 2.560 2.499 2.412 2.539 . 0 0 "[ . 1 . 2]" 1
1023 1 54 LYS QB 1 55 LYS H 2.700 . 2.700 2.469 2.247 2.654 . 0 0 "[ . 1 . 2]" 1
1024 1 54 LYS QE 1 54 LYS HG2 2.480 . 2.480 2.282 2.110 2.495 0.015 13 0 "[ . 1 . 2]" 1
1025 1 54 LYS QE 1 54 LYS QG 3.460 . 3.460 2.242 2.084 2.436 . 0 0 "[ . 1 . 2]" 1
1026 1 54 LYS QE 1 54 LYS HG3 3.380 . 3.380 3.293 3.170 3.410 0.030 13 0 "[ . 1 . 2]" 1
1027 1 54 LYS QE 1 55 LYS HG3 5.500 . 5.500 4.679 4.115 5.592 0.092 20 0 "[ . 1 . 2]" 1
1028 1 54 LYS HG2 1 55 LYS H 4.520 . 4.520 4.350 4.130 4.563 0.043 20 0 "[ . 1 . 2]" 1
1029 1 54 LYS HG2 1 55 LYS HA 5.130 . 5.130 4.442 4.045 5.053 . 0 0 "[ . 1 . 2]" 1
1030 1 54 LYS HG3 1 55 LYS HA 5.500 . 5.500 5.634 5.583 5.693 0.193 18 0 "[ . 1 . 2]" 1
1031 1 55 LYS H 1 55 LYS HB2 2.720 . 2.720 2.248 2.017 2.347 . 0 0 "[ . 1 . 2]" 1
1032 1 55 LYS H 1 55 LYS HG2 3.840 . 3.840 2.881 2.558 3.590 . 0 0 "[ . 1 . 2]" 1
1033 1 55 LYS H 1 55 LYS HG3 4.090 . 4.090 3.949 3.776 4.139 0.049 10 0 "[ . 1 . 2]" 1
1034 1 55 LYS H 1 57 ALA MB 5.500 . 5.500 4.766 4.626 4.889 . 0 0 "[ . 1 . 2]" 1
1035 1 55 LYS HA 1 55 LYS HB3 2.850 . 2.850 2.681 2.596 2.859 0.009 10 0 "[ . 1 . 2]" 1
1036 1 55 LYS HA 1 55 LYS HD2 2.780 . 2.780 2.078 1.927 2.455 . 0 0 "[ . 1 . 2]" 1
1037 1 55 LYS HA 1 55 LYS HD3 3.870 . 3.870 3.585 3.476 3.703 . 0 0 "[ . 1 . 2]" 1
1038 1 55 LYS HA 1 55 LYS HG2 3.230 . 3.230 2.633 2.308 2.824 . 0 0 "[ . 1 . 2]" 1
1039 1 55 LYS HA 1 58 GLU H 5.500 . 5.500 3.393 3.236 3.541 . 0 0 "[ . 1 . 2]" 1
1040 1 55 LYS HA 1 59 ILE MD 5.500 . 5.500 4.440 4.318 4.702 . 0 0 "[ . 1 . 2]" 1
1041 1 55 LYS HB2 1 56 LEU H 3.460 . 3.460 2.950 2.702 3.285 . 0 0 "[ . 1 . 2]" 1
1042 1 55 LYS HB3 1 55 LYS QE 2.580 . 2.580 2.007 1.973 2.056 . 0 0 "[ . 1 . 2]" 1
1043 1 55 LYS HB3 1 55 LYS HG3 2.620 . 2.620 2.475 2.382 2.517 . 0 0 "[ . 1 . 2]" 1
1044 1 55 LYS HB3 1 56 LEU H 3.430 . 3.430 3.434 3.066 3.495 0.065 17 0 "[ . 1 . 2]" 1
1045 1 55 LYS HD2 1 55 LYS QE 2.770 . 2.770 2.297 2.166 2.369 . 0 0 "[ . 1 . 2]" 1
1046 1 55 LYS QE 1 56 LEU HA 5.340 . 5.340 4.813 4.026 5.334 . 0 0 "[ . 1 . 2]" 1
1047 1 55 LYS QE 1 59 ILE MD 3.480 . 3.480 2.857 2.497 3.200 . 0 0 "[ . 1 . 2]" 1
1048 1 55 LYS QE 1 59 ILE HG12 4.900 . 4.900 4.278 3.936 4.813 . 0 0 "[ . 1 . 2]" 1
1049 1 55 LYS HG2 1 56 LEU H 5.030 . 5.030 4.747 4.456 5.043 0.013 10 0 "[ . 1 . 2]" 1
1050 1 55 LYS HG2 1 59 ILE MD 5.500 . 5.500 5.582 5.527 5.652 0.152 16 0 "[ . 1 . 2]" 1
1051 1 56 LEU H 1 56 LEU HB2 2.980 . 2.980 2.513 2.482 2.539 . 0 0 "[ . 1 . 2]" 1
1052 1 56 LEU H 1 56 LEU MD2 4.280 . 4.280 4.291 4.262 4.318 0.038 8 0 "[ . 1 . 2]" 1
1053 1 56 LEU H 1 56 LEU HG 5.290 . 5.290 4.512 4.478 4.582 . 0 0 "[ . 1 . 2]" 1
1054 1 56 LEU H 1 57 ALA MB 4.360 . 4.360 4.202 4.094 4.274 . 0 0 "[ . 1 . 2]" 1
1055 1 56 LEU H 1 59 ILE MD 4.040 . 4.040 4.040 3.917 4.152 0.112 10 0 "[ . 1 . 2]" 1
1056 1 56 LEU HA 1 56 LEU MD1 2.400 . 2.400 2.049 1.964 2.091 . 0 0 "[ . 1 . 2]" 1
1057 1 56 LEU HA 1 59 ILE H 3.480 . 3.480 3.248 3.056 3.349 . 0 0 "[ . 1 . 2]" 1
1058 1 56 LEU HA 1 59 ILE HB 3.210 . 3.210 2.873 2.596 3.183 . 0 0 "[ . 1 . 2]" 1
1059 1 56 LEU HA 1 59 ILE MD 2.580 . 2.580 1.939 1.812 2.121 . 0 0 "[ . 1 . 2]" 1
1060 1 56 LEU HB2 1 56 LEU MD2 2.730 . 2.730 2.377 2.296 2.418 . 0 0 "[ . 1 . 2]" 1
1061 1 56 LEU HB3 1 56 LEU MD2 2.720 . 2.720 2.335 2.292 2.409 . 0 0 "[ . 1 . 2]" 1
1062 1 56 LEU MD1 1 59 ILE HB 3.480 . 3.480 2.601 2.065 2.791 . 0 0 "[ . 1 . 2]" 1
1063 1 56 LEU HG 1 59 ILE MD 5.500 . 5.500 4.367 4.046 4.677 . 0 0 "[ . 1 . 2]" 1
1064 1 56 LEU HG 1 60 LEU HB2 5.500 . 5.500 4.799 4.387 5.275 . 0 0 "[ . 1 . 2]" 1
1065 1 56 LEU HG 1 60 LEU MD1 5.500 . 5.500 4.620 4.437 4.809 . 0 0 "[ . 1 . 2]" 1
1066 1 56 LEU HG 1 60 LEU MD2 5.500 . 5.500 2.198 1.952 2.489 . 0 0 "[ . 1 . 2]" 1
1067 1 57 ALA H 1 57 ALA HA 2.900 . 2.900 2.808 2.794 2.828 . 0 0 "[ . 1 . 2]" 1
1068 1 57 ALA H 1 57 ALA MB 2.400 . 2.400 2.235 2.199 2.259 . 0 0 "[ . 1 . 2]" 1
1069 1 57 ALA H 1 59 ILE MD 5.430 . 5.430 4.929 4.841 5.008 . 0 0 "[ . 1 . 2]" 1
1070 1 57 ALA HA 1 59 ILE HB 5.500 . 5.500 5.267 5.046 5.389 . 0 0 "[ . 1 . 2]" 1
1071 1 57 ALA HA 1 60 LEU H 3.740 . 3.740 3.328 3.227 3.499 . 0 0 "[ . 1 . 2]" 1
1072 1 57 ALA HA 1 60 LEU HB2 3.220 . 3.220 2.562 2.373 2.881 . 0 0 "[ . 1 . 2]" 1
1073 1 57 ALA HA 1 61 VAL H 5.500 . 5.500 4.257 3.955 4.608 . 0 0 "[ . 1 . 2]" 1
1074 1 57 ALA MB 1 58 GLU H 3.040 . 3.040 2.551 2.490 2.621 . 0 0 "[ . 1 . 2]" 1
1075 1 57 ALA MB 1 58 GLU HA 5.500 . 5.500 3.820 3.733 3.882 . 0 0 "[ . 1 . 2]" 1
1076 1 57 ALA MB 1 60 LEU HB2 5.500 . 5.500 3.936 3.813 4.131 . 0 0 "[ . 1 . 2]" 1
1077 1 58 GLU H 1 58 GLU HA 2.890 . 2.890 2.821 2.799 2.835 . 0 0 "[ . 1 . 2]" 1
1078 1 58 GLU H 1 58 GLU QB 2.610 . 2.610 2.157 2.085 2.214 . 0 0 "[ . 1 . 2]" 1
1079 1 58 GLU H 1 59 ILE MD 4.590 . 4.590 4.614 4.594 4.636 0.046 3 0 "[ . 1 . 2]" 1
1080 1 58 GLU HA 1 58 GLU QB 2.400 . 2.400 2.356 2.323 2.387 . 0 0 "[ . 1 . 2]" 1
1081 1 58 GLU HA 1 58 GLU HG3 2.920 . 2.920 2.666 2.489 2.793 . 0 0 "[ . 1 . 2]" 1
1082 1 58 GLU HA 1 60 LEU H 5.500 . 5.500 4.402 4.105 4.551 . 0 0 "[ . 1 . 2]" 1
1083 1 58 GLU HA 1 61 VAL H 3.530 . 3.530 3.558 3.434 3.617 0.087 2 0 "[ . 1 . 2]" 1
1084 1 58 GLU HA 1 61 VAL QG 5.440 . 5.440 2.043 1.917 2.163 . 0 0 "[ . 1 . 2]" 1
1085 1 58 GLU QB 1 59 ILE H 2.890 . 2.890 2.692 2.472 2.891 0.001 12 0 "[ . 1 . 2]" 1
1086 1 58 GLU HG2 1 59 ILE HA 4.490 . 4.490 3.935 3.624 4.265 . 0 0 "[ . 1 . 2]" 1
1087 1 58 GLU HG2 1 59 ILE MD 5.500 . 5.500 5.118 4.812 5.362 . 0 0 "[ . 1 . 2]" 1
1088 1 58 GLU HG3 1 61 VAL QG 5.440 . 5.440 3.514 3.111 3.862 . 0 0 "[ . 1 . 2]" 1
1089 1 59 ILE H 1 59 ILE HB 2.640 . 2.640 2.456 2.393 2.527 . 0 0 "[ . 1 . 2]" 1
1090 1 59 ILE H 1 59 ILE MD 3.220 . 3.220 3.248 3.178 3.278 0.058 8 0 "[ . 1 . 2]" 1
1091 1 59 ILE H 1 59 ILE HG12 3.870 . 3.870 3.654 3.500 3.755 . 0 0 "[ . 1 . 2]" 1
1092 1 59 ILE H 1 59 ILE HG13 2.780 . 2.780 2.212 2.018 2.331 . 0 0 "[ . 1 . 2]" 1
1093 1 59 ILE HA 1 59 ILE MD 3.920 . 3.920 3.847 3.824 3.879 . 0 0 "[ . 1 . 2]" 1
1094 1 59 ILE HA 1 59 ILE HG12 2.950 . 2.950 2.676 2.626 2.723 . 0 0 "[ . 1 . 2]" 1
1095 1 59 ILE HA 1 59 ILE HG13 2.720 . 2.720 2.726 2.673 2.772 0.052 2 0 "[ . 1 . 2]" 1
1096 1 59 ILE HA 1 59 ILE MG 2.590 . 2.590 2.398 2.325 2.456 . 0 0 "[ . 1 . 2]" 1
1097 1 59 ILE HA 1 62 ASN H 3.830 . 3.830 3.336 3.034 3.643 . 0 0 "[ . 1 . 2]" 1
1098 1 59 ILE HA 1 62 ASN HB2 3.030 . 3.030 2.642 2.197 3.041 0.011 16 0 "[ . 1 . 2]" 1
1099 1 59 ILE HA 1 62 ASN HB3 4.710 . 4.710 2.601 2.069 2.965 . 0 0 "[ . 1 . 2]" 1
1100 1 59 ILE HA 1 62 ASN HD21 5.500 . 5.500 3.450 2.695 4.312 . 0 0 "[ . 1 . 2]" 1
1101 1 59 ILE HA 1 63 THR MG 5.500 . 5.500 4.847 4.359 5.422 . 0 0 "[ . 1 . 2]" 1
1102 1 59 ILE HB 1 59 ILE MD 2.590 . 2.590 2.313 2.280 2.344 . 0 0 "[ . 1 . 2]" 1
1103 1 59 ILE HB 1 60 LEU MD2 3.830 . 3.830 3.160 2.971 3.383 . 0 0 "[ . 1 . 2]" 1
1104 1 59 ILE HG12 1 62 ASN HB3 5.500 . 5.500 4.788 4.221 5.265 . 0 0 "[ . 1 . 2]" 1
1105 1 59 ILE MG 1 60 LEU MD1 5.500 . 5.500 4.348 4.218 4.534 . 0 0 "[ . 1 . 2]" 1
1106 1 59 ILE MG 1 62 ASN HB2 5.500 . 5.500 4.083 3.587 4.544 . 0 0 "[ . 1 . 2]" 1
1107 1 60 LEU H 1 60 LEU HB2 2.980 . 2.980 2.323 2.253 2.377 . 0 0 "[ . 1 . 2]" 1
1108 1 60 LEU H 1 60 LEU HB3 4.130 . 4.130 3.582 3.531 3.616 . 0 0 "[ . 1 . 2]" 1
1109 1 60 LEU H 1 60 LEU MD1 5.500 . 5.500 3.892 3.788 3.997 . 0 0 "[ . 1 . 2]" 1
1110 1 60 LEU H 1 60 LEU MD2 3.150 . 3.150 2.410 2.250 2.543 . 0 0 "[ . 1 . 2]" 1
1111 1 60 LEU H 1 60 LEU HG 5.500 . 5.500 4.159 4.105 4.205 . 0 0 "[ . 1 . 2]" 1
1112 1 60 LEU HA 1 60 LEU HB2 3.010 . 3.010 2.990 2.965 3.001 . 0 0 "[ . 1 . 2]" 1
1113 1 60 LEU HA 1 60 LEU MD1 2.400 . 2.400 2.044 2.014 2.063 . 0 0 "[ . 1 . 2]" 1
1114 1 60 LEU HA 1 60 LEU MD2 2.630 . 2.630 2.631 2.490 2.669 0.039 10 0 "[ . 1 . 2]" 1
1115 1 60 LEU HA 1 61 VAL QG 5.440 . 5.440 4.673 4.473 4.971 . 0 0 "[ . 1 . 2]" 1
1116 1 60 LEU HA 1 63 THR H 5.500 . 5.500 3.733 3.525 3.942 . 0 0 "[ . 1 . 2]" 1
1117 1 60 LEU HB2 1 60 LEU MD2 2.670 . 2.670 2.385 2.350 2.423 . 0 0 "[ . 1 . 2]" 1
1118 1 60 LEU HB2 1 61 VAL H 3.360 . 3.360 2.819 2.700 2.920 . 0 0 "[ . 1 . 2]" 1
1119 1 60 LEU HB2 1 69 ILE HG12 5.500 . 5.500 4.900 4.565 5.132 . 0 0 "[ . 1 . 2]" 1
1120 1 60 LEU HB3 1 60 LEU MD1 2.780 . 2.780 2.403 2.376 2.429 . 0 0 "[ . 1 . 2]" 1
1121 1 60 LEU HB3 1 61 VAL H 3.850 . 3.850 3.309 3.126 3.441 . 0 0 "[ . 1 . 2]" 1
1122 1 60 LEU HB3 1 61 VAL HA 4.420 . 4.420 4.027 3.865 4.134 . 0 0 "[ . 1 . 2]" 1
1123 1 60 LEU HB3 1 69 ILE HA 5.500 . 5.500 5.017 4.476 5.326 . 0 0 "[ . 1 . 2]" 1
1124 1 60 LEU HB3 1 69 ILE MD 3.130 . 3.130 2.316 1.949 2.900 . 0 0 "[ . 1 . 2]" 1
1125 1 60 LEU HB3 1 69 ILE MG 3.020 . 3.020 2.559 2.095 3.030 0.010 19 0 "[ . 1 . 2]" 1
1126 1 60 LEU MD2 1 69 ILE HG12 5.500 . 5.500 5.472 5.256 5.527 0.027 1 0 "[ . 1 . 2]" 1
1127 1 61 VAL H 1 61 VAL HB 3.690 . 3.690 3.213 2.357 3.702 0.012 8 0 "[ . 1 . 2]" 1
1128 1 61 VAL H 1 69 ILE MD 3.860 . 3.860 3.470 3.212 3.701 . 0 0 "[ . 1 . 2]" 1
1129 1 61 VAL H 1 69 ILE MG 5.500 . 5.500 4.812 4.197 5.294 . 0 0 "[ . 1 . 2]" 1
1130 1 61 VAL HA 1 61 VAL HB 2.760 . 2.760 2.470 2.400 2.565 . 0 0 "[ . 1 . 2]" 1
1131 1 61 VAL HA 1 61 VAL QG 2.400 . 2.400 2.324 2.254 2.363 . 0 0 "[ . 1 . 2]" 1
1132 1 61 VAL HA 1 62 ASN HA 5.500 . 5.500 4.711 4.541 4.842 . 0 0 "[ . 1 . 2]" 1
1133 1 61 VAL HA 1 63 THR H 4.060 . 4.060 3.910 3.465 4.111 0.051 19 0 "[ . 1 . 2]" 1
1134 1 61 VAL HA 1 69 ILE MD 2.400 . 2.400 2.091 1.889 2.415 0.015 10 0 "[ . 1 . 2]" 1
1135 1 61 VAL QG 1 62 ASN HA 3.330 . 3.330 3.351 3.315 3.383 0.053 14 0 "[ . 1 . 2]" 1
1136 1 61 VAL QG 1 62 ASN HB2 4.000 . 4.000 3.637 3.357 3.910 . 0 0 "[ . 1 . 2]" 1
1137 1 61 VAL QG 1 62 ASN HB3 5.440 . 5.440 4.403 4.273 4.585 . 0 0 "[ . 1 . 2]" 1
1138 1 61 VAL QG 1 66 GLU HA 5.440 . 5.440 4.106 2.878 4.637 . 0 0 "[ . 1 . 2]" 1
1139 1 61 VAL QG 1 69 ILE MD 5.440 . 5.440 2.461 2.016 2.992 . 0 0 "[ . 1 . 2]" 1
1140 1 62 ASN H 1 62 ASN HB3 3.100 . 3.100 2.478 2.343 2.602 . 0 0 "[ . 1 . 2]" 1
1141 1 62 ASN HA 1 62 ASN HB2 3.000 . 3.000 2.469 2.398 2.528 . 0 0 "[ . 1 . 2]" 1
1142 1 62 ASN HA 1 63 THR HA 5.500 . 5.500 4.539 4.473 4.613 . 0 0 "[ . 1 . 2]" 1
1143 1 62 ASN HB2 1 62 ASN HD21 3.180 . 3.180 2.625 2.152 3.281 0.101 16 0 "[ . 1 . 2]" 1
1144 1 62 ASN HB2 1 63 THR MG 5.500 . 5.500 4.479 4.249 4.713 . 0 0 "[ . 1 . 2]" 1
1145 1 62 ASN HB3 1 63 THR MG 3.450 . 3.450 3.021 2.740 3.428 . 0 0 "[ . 1 . 2]" 1
1146 1 63 THR H 1 63 THR MG 3.230 . 3.230 2.903 2.698 3.246 0.016 4 0 "[ . 1 . 2]" 1
1147 1 63 THR HA 1 63 THR HB 2.790 . 2.790 2.566 2.493 2.663 . 0 0 "[ . 1 . 2]" 1
1148 1 63 THR HA 1 63 THR MG 2.460 . 2.460 2.238 2.147 2.294 . 0 0 "[ . 1 . 2]" 1
1149 1 63 THR HA 1 64 SER HA 5.010 . 5.010 4.546 4.419 4.689 . 0 0 "[ . 1 . 2]" 1
1150 1 63 THR MG 1 64 SER H 5.500 . 5.500 4.008 3.755 4.221 . 0 0 "[ . 1 . 2]" 1
1151 1 64 SER H 1 64 SER HB2 3.600 . 3.600 2.504 2.422 3.134 . 0 0 "[ . 1 . 2]" 1
1152 1 64 SER H 1 64 SER QB 2.990 . 2.990 2.438 2.381 2.605 . 0 0 "[ . 1 . 2]" 1
1153 1 64 SER H 1 64 SER HB3 3.600 . 3.600 3.542 2.784 3.675 0.075 13 0 "[ . 1 . 2]" 1
1154 1 64 SER H 1 69 ILE MD 3.970 . 3.970 3.409 2.998 3.713 . 0 0 "[ . 1 . 2]" 1
1155 1 64 SER HA 1 65 SER QB 4.470 . 4.470 4.329 4.043 4.518 0.048 1 0 "[ . 1 . 2]" 1
1156 1 64 SER QB 1 68 TRP HE3 3.830 . 3.830 2.293 1.971 3.066 . 0 0 "[ . 1 . 2]" 1
1157 1 64 SER QB 1 69 ILE HA 5.340 . 5.340 3.805 3.616 4.204 . 0 0 "[ . 1 . 2]" 1
1158 1 64 SER QB 1 69 ILE MD 3.560 . 3.560 2.495 2.167 3.210 . 0 0 "[ . 1 . 2]" 1
1159 1 64 SER QB 1 69 ILE HG12 3.720 . 3.720 2.131 1.886 2.545 . 0 0 "[ . 1 . 2]" 1
1160 1 64 SER QB 1 69 ILE HG13 2.780 . 2.780 2.502 2.328 2.722 . 0 0 "[ . 1 . 2]" 1
1161 1 64 SER HB2 1 68 TRP HE3 4.530 . 4.530 3.204 2.536 3.716 . 0 0 "[ . 1 . 2]" 1
1162 1 64 SER HB3 1 68 TRP HE3 4.530 . 4.530 2.425 1.987 3.266 . 0 0 "[ . 1 . 2]" 1
1163 1 65 SER HA 1 66 GLU H 2.470 . 2.470 2.308 2.120 2.415 . 0 0 "[ . 1 . 2]" 1
1164 1 65 SER HA 1 66 GLU HB3 4.780 . 4.780 4.592 4.385 4.791 0.011 15 0 "[ . 1 . 2]" 1
1165 1 65 SER HA 1 67 ASN H 4.300 . 4.300 4.263 3.930 4.389 0.089 20 0 "[ . 1 . 2]" 1
1166 1 65 SER QB 1 66 GLU H 5.500 . 5.500 3.054 2.527 3.734 . 0 0 "[ . 1 . 2]" 1
1167 1 65 SER QB 1 66 GLU QG 5.500 . 5.500 4.327 3.510 5.448 . 0 0 "[ . 1 . 2]" 1
1168 1 65 SER QB 1 67 ASN H 3.630 . 3.630 3.174 2.771 3.642 0.012 12 0 "[ . 1 . 2]" 1
1169 1 65 SER QB 1 68 TRP H 4.270 . 4.270 3.068 2.608 3.582 . 0 0 "[ . 1 . 2]" 1
1170 1 66 GLU H 1 66 GLU HB3 3.210 . 3.210 2.548 2.387 2.769 . 0 0 "[ . 1 . 2]" 1
1171 1 66 GLU H 1 66 GLU QG 3.560 . 3.560 2.576 1.965 3.380 . 0 0 "[ . 1 . 2]" 1
1172 1 66 GLU HA 1 66 GLU HB2 2.910 . 2.910 2.443 2.351 2.527 . 0 0 "[ . 1 . 2]" 1
1173 1 66 GLU HA 1 66 GLU QG 3.510 . 3.510 3.435 3.295 3.562 0.052 17 0 "[ . 1 . 2]" 1
1174 1 66 GLU HA 1 69 ILE H 5.500 . 5.500 3.242 2.829 3.626 . 0 0 "[ . 1 . 2]" 1
1175 1 66 GLU HA 1 69 ILE HA 5.500 . 5.500 5.155 4.645 5.535 0.035 4 0 "[ . 1 . 2]" 1
1176 1 66 GLU HA 1 69 ILE HB 3.070 . 3.070 2.661 2.058 3.112 0.042 12 0 "[ . 1 . 2]" 1
1177 1 66 GLU HA 1 69 ILE MD 2.630 . 2.630 2.316 1.949 2.647 0.017 16 0 "[ . 1 . 2]" 1
1178 1 66 GLU HB3 1 67 ASN H 5.500 . 5.500 4.006 3.837 4.159 . 0 0 "[ . 1 . 2]" 1
1179 1 66 GLU QG 1 67 ASN QB 4.020 . 4.020 3.255 2.802 4.047 0.027 1 0 "[ . 1 . 2]" 1
1180 1 66 GLU QG 1 69 ILE MD 5.500 . 5.500 4.890 4.544 5.359 . 0 0 "[ . 1 . 2]" 1
1181 1 67 ASN H 1 67 ASN HA 2.930 . 2.930 2.840 2.782 2.918 . 0 0 "[ . 1 . 2]" 1
1182 1 67 ASN H 1 67 ASN HB2 2.880 . 2.880 2.542 2.317 2.844 . 0 0 "[ . 1 . 2]" 1
1183 1 67 ASN H 1 67 ASN HB3 2.880 . 2.880 2.555 2.397 2.811 . 0 0 "[ . 1 . 2]" 1
1184 1 67 ASN HA 1 67 ASN QB 2.460 . 2.460 2.378 2.340 2.472 0.012 11 0 "[ . 1 . 2]" 1
1185 1 67 ASN HA 1 70 ARG H 4.200 . 4.200 3.799 3.173 4.162 . 0 0 "[ . 1 . 2]" 1
1186 1 67 ASN HA 1 70 ARG QB 3.660 . 3.660 3.581 2.951 3.764 0.104 3 0 "[ . 1 . 2]" 1
1187 1 67 ASN HA 1 70 ARG QD 3.440 . 3.440 2.574 1.985 3.391 . 0 0 "[ . 1 . 2]" 1
1188 1 67 ASN HA 1 70 ARG QG 4.020 . 4.020 2.751 2.146 4.016 . 0 0 "[ . 1 . 2]" 1
1189 1 67 ASN QB 1 67 ASN QD 3.050 . 3.050 2.177 2.080 2.617 . 0 0 "[ . 1 . 2]" 1
1190 1 67 ASN QD 1 70 ARG QD 5.340 . 5.340 4.147 1.911 5.441 0.101 17 0 "[ . 1 . 2]" 1
1191 1 68 TRP H 1 68 TRP HB3 3.100 . 3.100 2.531 2.399 2.664 . 0 0 "[ . 1 . 2]" 1
1192 1 68 TRP HA 1 68 TRP HB2 2.860 . 2.860 2.517 2.467 2.553 . 0 0 "[ . 1 . 2]" 1
1193 1 68 TRP HA 1 68 TRP HD1 3.320 . 3.320 3.257 3.092 3.357 0.037 5 0 "[ . 1 . 2]" 1
1194 1 68 TRP HA 1 68 TRP HE3 4.580 . 4.580 4.413 4.274 4.569 . 0 0 "[ . 1 . 2]" 1
1195 1 68 TRP HA 1 70 ARG QG 5.340 . 5.340 3.798 3.230 4.318 . 0 0 "[ . 1 . 2]" 1
1196 1 68 TRP HA 1 71 ASN HB2 4.770 . 4.770 4.452 3.662 4.817 0.047 7 0 "[ . 1 . 2]" 1
1197 1 68 TRP HA 1 71 ASN HB3 4.340 . 4.340 3.757 2.860 4.343 0.003 4 0 "[ . 1 . 2]" 1
1198 1 68 TRP HB2 1 68 TRP HD1 3.270 . 3.270 2.634 2.556 2.704 . 0 0 "[ . 1 . 2]" 1
1199 1 68 TRP HB2 1 69 ILE H 5.500 . 5.500 3.781 3.647 4.029 . 0 0 "[ . 1 . 2]" 1
1200 1 68 TRP HB3 1 68 TRP HE3 3.360 . 3.360 2.617 2.494 2.738 . 0 0 "[ . 1 . 2]" 1
1201 1 68 TRP HB3 1 69 ILE H 3.400 . 3.400 2.555 2.307 2.920 . 0 0 "[ . 1 . 2]" 1
1202 1 68 TRP HB3 1 69 ILE HG12 5.500 . 5.500 4.275 3.994 4.651 . 0 0 "[ . 1 . 2]" 1
1203 1 68 TRP HB3 1 69 ILE HG13 4.340 . 4.340 3.276 2.938 3.675 . 0 0 "[ . 1 . 2]" 1
1204 1 68 TRP HE3 1 69 ILE HA 3.850 . 3.850 2.558 2.081 2.917 . 0 0 "[ . 1 . 2]" 1
1205 1 68 TRP HE3 1 69 ILE MD 5.500 . 5.500 4.361 3.885 4.644 . 0 0 "[ . 1 . 2]" 1
1206 1 68 TRP HE3 1 69 ILE HG12 5.500 . 5.500 2.966 2.391 3.408 . 0 0 "[ . 1 . 2]" 1
1207 1 68 TRP HE3 1 69 ILE MG 5.170 . 5.170 4.020 3.428 4.468 . 0 0 "[ . 1 . 2]" 1
1208 1 68 TRP HE3 1 72 ALA HA 5.500 . 5.500 5.517 5.229 5.583 0.083 9 0 "[ . 1 . 2]" 1
1209 1 68 TRP HE3 1 72 ALA MB 3.500 . 3.500 2.899 2.813 3.091 . 0 0 "[ . 1 . 2]" 1
1210 1 68 TRP HZ3 1 69 ILE HA 4.260 . 4.260 3.671 3.152 4.020 . 0 0 "[ . 1 . 2]" 1
1211 1 68 TRP HZ3 1 69 ILE MD 5.500 . 5.500 5.307 4.707 5.560 0.060 20 0 "[ . 1 . 2]" 1
1212 1 68 TRP HZ3 1 69 ILE MG 5.500 . 5.500 4.326 3.349 4.780 . 0 0 "[ . 1 . 2]" 1
1213 1 68 TRP HZ3 1 72 ALA MB 5.500 . 5.500 2.461 2.004 2.722 . 0 0 "[ . 1 . 2]" 1
1214 1 69 ILE H 1 69 ILE HB 2.930 . 2.930 2.701 2.589 2.806 . 0 0 "[ . 1 . 2]" 1
1215 1 69 ILE H 1 69 ILE MD 3.600 . 3.600 3.521 3.408 3.584 . 0 0 "[ . 1 . 2]" 1
1216 1 69 ILE H 1 69 ILE HG12 5.500 . 5.500 3.275 3.169 3.388 . 0 0 "[ . 1 . 2]" 1
1217 1 69 ILE HA 1 69 ILE MD 4.080 . 4.080 3.879 3.835 3.912 . 0 0 "[ . 1 . 2]" 1
1218 1 69 ILE HA 1 69 ILE HG12 3.260 . 3.260 2.622 2.546 2.714 . 0 0 "[ . 1 . 2]" 1
1219 1 69 ILE HA 1 69 ILE MG 2.520 . 2.520 2.336 2.223 2.428 . 0 0 "[ . 1 . 2]" 1
1220 1 69 ILE HA 1 72 ALA H 4.250 . 4.250 3.108 2.894 3.260 . 0 0 "[ . 1 . 2]" 1
1221 1 69 ILE HA 1 72 ALA HA 5.500 . 5.500 4.773 4.555 4.931 . 0 0 "[ . 1 . 2]" 1
1222 1 69 ILE HA 1 72 ALA MB 3.200 . 3.200 2.107 1.982 2.383 . 0 0 "[ . 1 . 2]" 1
1223 1 69 ILE HA 1 73 THR H 4.000 . 4.000 3.520 3.174 3.979 . 0 0 "[ . 1 . 2]" 1
1224 1 69 ILE HB 1 69 ILE MD 2.480 . 2.480 2.388 2.340 2.426 . 0 0 "[ . 1 . 2]" 1
1225 1 69 ILE HB 1 70 ARG H 5.500 . 5.500 2.832 2.602 3.179 . 0 0 "[ . 1 . 2]" 1
1226 1 69 ILE HB 1 70 ARG QB 5.500 . 5.500 4.332 3.960 4.612 . 0 0 "[ . 1 . 2]" 1
1227 1 69 ILE HG12 1 69 ILE MG 3.030 . 3.030 2.288 2.229 2.328 . 0 0 "[ . 1 . 2]" 1
1228 1 69 ILE MG 1 70 ARG H 5.500 . 5.500 3.722 3.570 3.927 . 0 0 "[ . 1 . 2]" 1
1229 1 69 ILE MG 1 72 ALA HA 5.500 . 5.500 5.431 5.105 5.573 0.073 17 0 "[ . 1 . 2]" 1
1230 1 69 ILE MG 1 72 ALA MB 3.050 . 3.050 2.834 2.492 3.027 . 0 0 "[ . 1 . 2]" 1
1231 1 69 ILE MG 1 73 THR H 3.870 . 3.870 3.111 2.829 3.473 . 0 0 "[ . 1 . 2]" 1
1232 1 69 ILE MG 1 73 THR HB 3.290 . 3.290 2.800 2.410 3.401 0.111 8 0 "[ . 1 . 2]" 1
1233 1 70 ARG H 1 70 ARG QB 3.360 . 3.360 2.447 2.327 2.604 . 0 0 "[ . 1 . 2]" 1
1234 1 70 ARG H 1 70 ARG QD 4.000 . 4.000 3.904 3.627 4.070 0.070 2 0 "[ . 1 . 2]" 1
1235 1 70 ARG HA 1 70 ARG QD 4.780 . 4.780 4.337 4.174 4.548 . 0 0 "[ . 1 . 2]" 1
1236 1 70 ARG HA 1 70 ARG HG2 3.950 . 3.950 3.802 3.734 3.861 . 0 0 "[ . 1 . 2]" 1
1237 1 70 ARG HA 1 70 ARG QG 3.440 . 3.440 3.357 3.321 3.394 . 0 0 "[ . 1 . 2]" 1
1238 1 70 ARG HA 1 70 ARG HG3 3.950 . 3.950 3.737 3.628 3.831 . 0 0 "[ . 1 . 2]" 1
1239 1 70 ARG HA 1 93 MET HB3 5.500 . 5.500 2.961 2.166 4.046 . 0 0 "[ . 1 . 2]" 1
1240 1 70 ARG QB 1 70 ARG QD 2.650 . 2.650 2.173 2.036 2.359 . 0 0 "[ . 1 . 2]" 1
1241 1 70 ARG QB 1 71 ASN H 5.500 . 5.500 3.590 3.403 3.848 . 0 0 "[ . 1 . 2]" 1
1242 1 70 ARG QB 1 71 ASN HB2 5.500 . 5.500 5.000 4.649 5.288 . 0 0 "[ . 1 . 2]" 1
1243 1 70 ARG QB 1 93 MET HG3 5.500 . 5.500 4.668 3.958 5.505 0.005 19 0 "[ . 1 . 2]" 1
1244 1 70 ARG QD 1 93 MET HB3 5.500 . 5.500 4.861 3.677 5.526 0.026 10 0 "[ . 1 . 2]" 1
1245 1 70 ARG QG 1 71 ASN HA 4.220 . 4.220 3.588 3.248 4.172 . 0 0 "[ . 1 . 2]" 1
1246 1 70 ARG HG2 1 71 ASN H 3.620 . 3.620 2.878 2.315 3.521 . 0 0 "[ . 1 . 2]" 1
1247 1 70 ARG HG3 1 71 ASN H 3.620 . 3.620 2.773 2.127 3.381 . 0 0 "[ . 1 . 2]" 1
1248 1 71 ASN H 1 71 ASN HB2 3.140 . 3.140 2.796 2.639 3.021 . 0 0 "[ . 1 . 2]" 1
1249 1 71 ASN H 1 71 ASN HB3 2.890 . 2.890 2.464 2.330 2.569 . 0 0 "[ . 1 . 2]" 1
1250 1 71 ASN HA 1 71 ASN HB2 2.880 . 2.880 2.467 2.413 2.511 . 0 0 "[ . 1 . 2]" 1
1251 1 71 ASN HA 1 74 VAL HB 3.440 . 3.440 2.926 2.661 3.321 . 0 0 "[ . 1 . 2]" 1
1252 1 71 ASN HA 1 74 VAL MG2 3.740 . 3.740 3.511 2.915 3.783 0.043 8 0 "[ . 1 . 2]" 1
1253 1 71 ASN HA 1 75 ASN H 5.500 . 5.500 4.110 3.786 4.652 . 0 0 "[ . 1 . 2]" 1
1254 1 71 ASN HB2 1 72 ALA MB 5.500 . 5.500 5.269 5.130 5.369 . 0 0 "[ . 1 . 2]" 1
1255 1 71 ASN HB3 1 71 ASN HD21 3.080 . 3.080 2.231 2.185 2.303 . 0 0 "[ . 1 . 2]" 1
1256 1 71 ASN HB3 1 71 ASN HD22 3.610 . 3.610 3.484 3.454 3.518 . 0 0 "[ . 1 . 2]" 1
1257 1 71 ASN HB3 1 72 ALA H 3.290 . 3.290 2.528 2.327 2.820 . 0 0 "[ . 1 . 2]" 1
1258 1 71 ASN HB3 1 72 ALA MB 5.500 . 5.500 3.917 3.740 4.097 . 0 0 "[ . 1 . 2]" 1
1259 1 71 ASN HD22 1 72 ALA MB 5.500 . 5.500 5.329 4.878 5.538 0.038 10 0 "[ . 1 . 2]" 1
1260 1 71 ASN HD22 1 75 ASN QB 4.720 . 4.720 3.827 2.987 4.777 0.057 10 0 "[ . 1 . 2]" 1
1261 1 72 ALA H 1 72 ALA MB 2.570 . 2.570 2.207 2.180 2.234 . 0 0 "[ . 1 . 2]" 1
1262 1 72 ALA HA 1 75 ASN H 5.500 . 5.500 3.804 3.538 4.215 . 0 0 "[ . 1 . 2]" 1
1263 1 72 ALA HA 1 75 ASN QB 5.340 . 5.340 3.017 2.429 3.689 . 0 0 "[ . 1 . 2]" 1
1264 1 72 ALA HA 1 76 ILE H 5.130 . 5.130 4.229 3.807 4.561 . 0 0 "[ . 1 . 2]" 1
1265 1 72 ALA HA 1 76 ILE MD 5.500 . 5.500 4.277 3.522 4.894 . 0 0 "[ . 1 . 2]" 1
1266 1 72 ALA HA 1 76 ILE HG12 5.500 . 5.500 3.884 3.535 4.389 . 0 0 "[ . 1 . 2]" 1
1267 1 72 ALA MB 1 73 THR H 2.870 . 2.870 2.215 1.773 2.359 0.027 8 0 "[ . 1 . 2]" 1
1268 1 72 ALA MB 1 73 THR HA 5.500 . 5.500 3.687 3.512 3.791 . 0 0 "[ . 1 . 2]" 1
1269 1 72 ALA MB 1 73 THR HB 3.820 . 3.820 3.773 3.554 3.869 0.049 8 0 "[ . 1 . 2]" 1
1270 1 72 ALA MB 1 73 THR MG 3.940 . 3.940 3.805 3.648 4.056 0.116 8 0 "[ . 1 . 2]" 1
1271 1 72 ALA MB 1 76 ILE H 5.500 . 5.500 4.692 4.406 4.945 . 0 0 "[ . 1 . 2]" 1
1272 1 73 THR H 1 73 THR HB 3.100 . 3.100 2.594 2.392 2.683 . 0 0 "[ . 1 . 2]" 1
1273 1 73 THR H 1 73 THR MG 3.080 . 3.080 2.225 2.012 3.284 0.204 8 0 "[ . 1 . 2]" 1
1274 1 73 THR HA 1 73 THR MG 3.470 . 3.470 3.190 2.098 3.275 . 0 0 "[ . 1 . 2]" 1
1275 1 73 THR HA 1 76 ILE H 4.000 . 4.000 3.445 3.298 3.623 . 0 0 "[ . 1 . 2]" 1
1276 1 73 THR HA 1 76 ILE HB 3.570 . 3.570 2.999 2.630 3.495 . 0 0 "[ . 1 . 2]" 1
1277 1 73 THR HA 1 76 ILE MD 4.430 . 4.430 4.485 4.275 4.590 0.160 4 0 "[ . 1 . 2]" 1
1278 1 73 THR HA 1 76 ILE HG13 4.910 . 4.910 3.372 3.135 3.828 . 0 0 "[ . 1 . 2]" 1
1279 1 73 THR HA 1 77 LEU QD 3.970 . 3.970 3.405 2.595 4.008 0.038 5 0 "[ . 1 . 2]" 1
1280 1 73 THR HA 1 77 LEU HG 5.500 . 5.500 5.375 3.977 5.680 0.180 3 0 "[ . 1 . 2]" 1
1281 1 73 THR HB 1 74 VAL H 4.130 . 4.130 3.989 2.487 4.215 0.085 4 0 "[ . 1 . 2]" 1
1282 1 73 THR HB 1 89 ALA MB 5.500 . 5.500 5.324 4.360 5.582 0.082 2 0 "[ . 1 . 2]" 1
1283 1 73 THR MG 1 74 VAL H 5.500 . 5.500 2.427 2.162 3.583 . 0 0 "[ . 1 . 2]" 1
1284 1 73 THR MG 1 74 VAL HA 3.860 . 3.860 3.358 3.113 3.896 0.036 8 0 "[ . 1 . 2]" 1
1285 1 73 THR MG 1 77 LEU QB 5.340 . 5.340 4.779 4.187 5.354 0.014 4 0 "[ . 1 . 2]" 1
1286 1 73 THR MG 1 89 ALA MB 5.500 . 5.500 2.890 2.514 3.844 . 0 0 "[ . 1 . 2]" 1
1287 1 74 VAL H 1 74 VAL HB 2.710 . 2.710 2.428 2.308 2.534 . 0 0 "[ . 1 . 2]" 1
1288 1 74 VAL H 1 74 VAL MG1 3.880 . 3.880 3.739 3.684 3.802 . 0 0 "[ . 1 . 2]" 1
1289 1 74 VAL H 1 74 VAL MG2 2.740 . 2.740 2.310 2.161 2.732 . 0 0 "[ . 1 . 2]" 1
1290 1 74 VAL HA 1 74 VAL MG1 2.630 . 2.630 2.495 2.416 2.566 . 0 0 "[ . 1 . 2]" 1
1291 1 74 VAL HA 1 74 VAL MG2 2.490 . 2.490 2.313 2.256 2.370 . 0 0 "[ . 1 . 2]" 1
1292 1 74 VAL HA 1 76 ILE H 4.870 . 4.870 4.476 4.216 4.722 . 0 0 "[ . 1 . 2]" 1
1293 1 74 VAL HA 1 77 LEU H 5.500 . 5.500 3.591 3.335 3.934 . 0 0 "[ . 1 . 2]" 1
1294 1 74 VAL HA 1 77 LEU QD 3.770 . 3.770 2.716 2.195 3.334 . 0 0 "[ . 1 . 2]" 1
1295 1 74 VAL HA 1 77 LEU HG 5.500 . 5.500 4.935 3.302 5.588 0.088 15 0 "[ . 1 . 2]" 1
1296 1 74 VAL HA 1 78 GLU QG 5.500 . 5.500 3.917 3.685 4.339 . 0 0 "[ . 1 . 2]" 1
1297 1 74 VAL HA 1 86 CYS HA 5.500 . 5.500 4.206 3.541 4.543 . 0 0 "[ . 1 . 2]" 1
1298 1 74 VAL HA 1 86 CYS HB2 5.500 . 5.500 4.841 4.210 5.200 . 0 0 "[ . 1 . 2]" 1
1299 1 74 VAL HA 1 89 ALA MB 3.540 . 3.540 3.424 2.895 3.572 0.032 18 0 "[ . 1 . 2]" 1
1300 1 74 VAL HB 1 75 ASN H 2.930 . 2.930 2.566 2.453 2.689 . 0 0 "[ . 1 . 2]" 1
1301 1 74 VAL MG1 1 75 ASN H 5.500 . 5.500 3.196 3.031 3.324 . 0 0 "[ . 1 . 2]" 1
1302 1 74 VAL MG1 1 75 ASN HA 3.510 . 3.510 3.303 3.111 3.450 . 0 0 "[ . 1 . 2]" 1
1303 1 74 VAL MG1 1 75 ASN HB2 5.500 . 5.500 4.366 3.988 5.027 . 0 0 "[ . 1 . 2]" 1
1304 1 74 VAL MG1 1 75 ASN HB3 5.500 . 5.500 5.106 4.782 5.455 . 0 0 "[ . 1 . 2]" 1
1305 1 74 VAL MG1 1 78 GLU QB 5.340 . 5.340 3.823 3.339 4.234 . 0 0 "[ . 1 . 2]" 1
1306 1 74 VAL MG1 1 90 LYS QD 5.500 . 5.500 2.967 2.130 3.553 . 0 0 "[ . 1 . 2]" 1
1307 1 74 VAL MG1 1 90 LYS QE 2.760 . 2.760 2.073 1.784 2.356 0.016 18 0 "[ . 1 . 2]" 1
1308 1 74 VAL MG1 1 90 LYS QG 5.340 . 5.340 2.407 1.946 3.517 . 0 0 "[ . 1 . 2]" 1
1309 1 74 VAL MG2 1 75 ASN H 5.500 . 5.500 3.892 3.794 4.017 . 0 0 "[ . 1 . 2]" 1
1310 1 74 VAL MG2 1 89 ALA MB 2.660 . 2.660 2.209 1.918 2.540 . 0 0 "[ . 1 . 2]" 1
1311 1 74 VAL MG2 1 90 LYS HA 5.500 . 5.500 3.173 2.776 3.807 . 0 0 "[ . 1 . 2]" 1
1312 1 74 VAL MG2 1 90 LYS QE 3.680 . 3.680 3.598 2.843 3.753 0.073 11 0 "[ . 1 . 2]" 1
1313 1 74 VAL MG2 1 93 MET HB2 4.570 . 4.570 4.075 3.252 4.607 0.037 11 0 "[ . 1 . 2]" 1
1314 1 74 VAL MG2 1 93 MET HG3 5.500 . 5.500 5.098 4.382 5.555 0.055 19 0 "[ . 1 . 2]" 1
1315 1 74 VAL MG2 1 94 MET HG2 5.500 . 5.500 3.587 2.480 5.524 0.024 4 0 "[ . 1 . 2]" 1
1316 1 74 VAL MG2 1 94 MET HG3 5.500 . 5.500 3.851 2.399 5.533 0.033 9 0 "[ . 1 . 2]" 1
1317 1 75 ASN H 1 75 ASN HA 2.930 . 2.930 2.811 2.758 2.845 . 0 0 "[ . 1 . 2]" 1
1318 1 75 ASN H 1 75 ASN HB2 3.460 . 3.460 2.421 2.266 2.615 . 0 0 "[ . 1 . 2]" 1
1319 1 75 ASN H 1 75 ASN QB 2.790 . 2.790 2.240 2.179 2.357 . 0 0 "[ . 1 . 2]" 1
1320 1 75 ASN H 1 75 ASN HB3 3.460 . 3.460 2.776 2.379 3.553 0.093 10 0 "[ . 1 . 2]" 1
1321 1 75 ASN H 1 76 ILE HB 5.500 . 5.500 5.210 5.076 5.440 . 0 0 "[ . 1 . 2]" 1
1322 1 75 ASN HA 1 76 ILE HA 4.950 . 4.950 4.756 4.696 4.810 . 0 0 "[ . 1 . 2]" 1
1323 1 75 ASN HA 1 78 GLU H 5.500 . 5.500 3.370 3.195 3.645 . 0 0 "[ . 1 . 2]" 1
1324 1 75 ASN HA 1 78 GLU HA 5.500 . 5.500 5.161 4.966 5.485 . 0 0 "[ . 1 . 2]" 1
1325 1 75 ASN HA 1 78 GLU HB2 3.800 . 3.800 2.393 2.254 2.655 . 0 0 "[ . 1 . 2]" 1
1326 1 75 ASN HA 1 78 GLU QB 3.240 . 3.240 2.370 2.240 2.612 . 0 0 "[ . 1 . 2]" 1
1327 1 75 ASN HA 1 78 GLU HB3 3.800 . 3.800 3.869 3.835 3.905 0.105 19 0 "[ . 1 . 2]" 1
1328 1 75 ASN HA 1 78 GLU QG 5.500 . 5.500 3.103 2.344 4.459 . 0 0 "[ . 1 . 2]" 1
1329 1 75 ASN QB 1 76 ILE H 3.060 . 3.060 2.572 2.440 2.775 . 0 0 "[ . 1 . 2]" 1
1330 1 75 ASN QB 1 76 ILE HA 5.340 . 5.340 4.093 3.772 4.238 . 0 0 "[ . 1 . 2]" 1
1331 1 75 ASN QB 1 76 ILE MD 5.340 . 5.340 3.480 3.089 3.859 . 0 0 "[ . 1 . 2]" 1
1332 1 75 ASN QB 1 76 ILE HG12 5.010 . 5.010 3.430 3.308 3.695 . 0 0 "[ . 1 . 2]" 1
1333 1 75 ASN QB 1 76 ILE HG13 5.340 . 5.340 5.042 4.919 5.235 . 0 0 "[ . 1 . 2]" 1
1334 1 75 ASN HB2 1 76 ILE H 3.800 . 3.800 3.622 2.645 3.878 0.078 13 0 "[ . 1 . 2]" 1
1335 1 75 ASN HB3 1 76 ILE H 3.800 . 3.800 2.769 2.468 3.620 . 0 0 "[ . 1 . 2]" 1
1336 1 76 ILE H 1 76 ILE HA 2.920 . 2.920 2.847 2.827 2.874 . 0 0 "[ . 1 . 2]" 1
1337 1 76 ILE H 1 76 ILE HB 2.810 . 2.810 2.739 2.665 2.826 0.016 4 0 "[ . 1 . 2]" 1
1338 1 76 ILE H 1 76 ILE MD 3.580 . 3.580 3.111 2.744 3.357 . 0 0 "[ . 1 . 2]" 1
1339 1 76 ILE H 1 76 ILE HG12 3.140 . 3.140 2.067 1.946 2.142 . 0 0 "[ . 1 . 2]" 1
1340 1 76 ILE H 1 76 ILE HG13 3.620 . 3.620 3.607 3.528 3.640 0.020 14 0 "[ . 1 . 2]" 1
1341 1 76 ILE HA 1 76 ILE MD 3.250 . 3.250 2.217 2.136 2.296 . 0 0 "[ . 1 . 2]" 1
1342 1 76 ILE HA 1 76 ILE HG12 3.220 . 3.220 3.179 3.062 3.253 0.033 4 0 "[ . 1 . 2]" 1
1343 1 76 ILE HA 1 76 ILE HG13 3.860 . 3.860 3.844 3.809 3.883 0.023 6 0 "[ . 1 . 2]" 1
1344 1 76 ILE HA 1 76 ILE MG 2.450 . 2.450 2.341 2.294 2.391 . 0 0 "[ . 1 . 2]" 1
1345 1 76 ILE HA 1 79 GLU H 3.650 . 3.650 3.278 3.124 3.457 . 0 0 "[ . 1 . 2]" 1
1346 1 76 ILE HA 1 79 GLU HA 5.500 . 5.500 5.168 4.960 5.374 . 0 0 "[ . 1 . 2]" 1
1347 1 76 ILE HA 1 79 GLU HB2 3.090 . 3.090 2.598 2.386 3.094 0.004 2 0 "[ . 1 . 2]" 1
1348 1 76 ILE HA 1 79 GLU HB3 3.930 . 3.930 3.648 2.743 4.005 0.075 10 0 "[ . 1 . 2]" 1
1349 1 76 ILE HA 1 79 GLU QG 4.430 . 4.430 3.256 2.268 4.247 . 0 0 "[ . 1 . 2]" 1
1350 1 76 ILE HA 1 80 MET HG3 5.500 . 5.500 4.332 4.150 4.544 . 0 0 "[ . 1 . 2]" 1
1351 1 76 ILE HB 1 76 ILE MD 3.320 . 3.320 3.253 3.214 3.271 . 0 0 "[ . 1 . 2]" 1
1352 1 76 ILE HB 1 77 LEU H 3.210 . 3.210 2.557 2.422 2.683 . 0 0 "[ . 1 . 2]" 1
1353 1 76 ILE MD 1 76 ILE MG 2.550 . 2.550 2.009 1.964 2.061 . 0 0 "[ . 1 . 2]" 1
1354 1 76 ILE MD 1 77 LEU H 5.500 . 5.500 4.648 4.385 4.791 . 0 0 "[ . 1 . 2]" 1
1355 1 76 ILE MD 1 80 MET HG3 5.500 . 5.500 5.315 5.151 5.540 0.040 6 0 "[ . 1 . 2]" 1
1356 1 76 ILE HG12 1 77 LEU H 5.500 . 5.500 4.055 3.805 4.185 . 0 0 "[ . 1 . 2]" 1
1357 1 76 ILE HG13 1 77 LEU H 5.500 . 5.500 4.815 4.669 4.963 . 0 0 "[ . 1 . 2]" 1
1358 1 76 ILE MG 1 77 LEU H 3.690 . 3.690 3.558 3.378 3.695 0.005 4 0 "[ . 1 . 2]" 1
1359 1 76 ILE MG 1 79 GLU HB2 4.320 . 4.320 3.703 3.248 4.352 0.032 2 0 "[ . 1 . 2]" 1
1360 1 76 ILE MG 1 80 MET H 5.500 . 5.500 4.332 4.127 4.626 . 0 0 "[ . 1 . 2]" 1
1361 1 76 ILE MG 1 80 MET HG2 4.360 . 4.360 3.993 3.652 4.394 0.034 7 0 "[ . 1 . 2]" 1
1362 1 76 ILE MG 1 80 MET HG3 3.210 . 3.210 2.827 2.565 3.122 . 0 0 "[ . 1 . 2]" 1
1363 1 77 LEU H 1 77 LEU QB 3.390 . 3.390 2.307 2.182 2.550 . 0 0 "[ . 1 . 2]" 1
1364 1 77 LEU H 1 77 LEU QD 4.090 . 4.090 2.567 2.126 3.033 . 0 0 "[ . 1 . 2]" 1
1365 1 77 LEU H 1 77 LEU HG 3.810 . 3.810 3.298 2.382 3.893 0.083 13 0 "[ . 1 . 2]" 1
1366 1 77 LEU HA 1 77 LEU QD 2.900 . 2.900 2.634 2.039 2.975 0.075 14 0 "[ . 1 . 2]" 1
1367 1 77 LEU HA 1 77 LEU HG 3.160 . 3.160 2.515 2.342 3.260 0.100 5 0 "[ . 1 . 2]" 1
1368 1 77 LEU HA 1 78 GLU HA 5.500 . 5.500 4.786 4.675 4.879 . 0 0 "[ . 1 . 2]" 1
1369 1 77 LEU HA 1 82 LEU HB2 4.070 . 4.070 3.041 2.687 3.412 . 0 0 "[ . 1 . 2]" 1
1370 1 77 LEU HA 1 82 LEU HB3 4.940 . 4.940 4.524 4.124 4.900 . 0 0 "[ . 1 . 2]" 1
1371 1 77 LEU HA 1 82 LEU MD1 5.500 . 5.500 2.657 2.233 3.331 . 0 0 "[ . 1 . 2]" 1
1372 1 77 LEU QB 1 78 GLU HA 4.190 . 4.190 3.971 3.798 4.144 . 0 0 "[ . 1 . 2]" 1
1373 1 77 LEU QB 1 86 CYS HA 3.610 . 3.610 3.233 2.889 3.516 . 0 0 "[ . 1 . 2]" 1
1374 1 77 LEU QB 1 86 CYS HB2 2.960 . 2.960 2.035 1.896 2.278 . 0 0 "[ . 1 . 2]" 1
1375 1 77 LEU QB 1 86 CYS HB3 4.050 . 4.050 3.545 3.330 3.722 . 0 0 "[ . 1 . 2]" 1
1376 1 77 LEU QB 1 89 ALA MB 5.340 . 5.340 4.203 3.882 4.572 . 0 0 "[ . 1 . 2]" 1
1377 1 77 LEU HB2 1 82 LEU HB2 5.500 . 5.500 4.137 3.460 4.480 . 0 0 "[ . 1 . 2]" 1
1378 1 77 LEU HB2 1 82 LEU HB3 5.500 . 5.500 5.176 4.052 5.523 0.023 15 0 "[ . 1 . 2]" 1
1379 1 77 LEU HB2 1 86 CYS HB2 3.580 . 3.580 3.105 2.551 3.501 . 0 0 "[ . 1 . 2]" 1
1380 1 77 LEU HB3 1 82 LEU HB2 5.500 . 5.500 2.495 1.943 2.840 . 0 0 "[ . 1 . 2]" 1
1381 1 77 LEU HB3 1 82 LEU HB3 5.500 . 5.500 3.464 2.533 3.791 . 0 0 "[ . 1 . 2]" 1
1382 1 77 LEU HB3 1 86 CYS HB2 3.580 . 3.580 2.068 1.920 2.390 . 0 0 "[ . 1 . 2]" 1
1383 1 77 LEU QD 1 78 GLU HA 5.440 . 5.440 5.197 4.924 5.407 . 0 0 "[ . 1 . 2]" 1
1384 1 77 LEU QD 1 86 CYS HA 2.660 . 2.660 2.159 1.937 2.386 . 0 0 "[ . 1 . 2]" 1
1385 1 77 LEU QD 1 86 CYS HB2 3.800 . 3.800 2.512 2.100 2.954 . 0 0 "[ . 1 . 2]" 1
1386 1 77 LEU QD 1 86 CYS HB3 5.440 . 5.440 3.737 3.344 4.165 . 0 0 "[ . 1 . 2]" 1
1387 1 77 LEU QD 1 89 ALA MB 4.000 . 4.000 2.727 2.403 3.070 . 0 0 "[ . 1 . 2]" 1
1388 1 77 LEU HG 1 82 LEU MD2 5.500 . 5.500 5.414 4.820 5.734 0.234 5 0 "[ . 1 . 2]" 1
1389 1 78 GLU H 1 78 GLU QB 2.750 . 2.750 2.347 2.135 2.475 . 0 0 "[ . 1 . 2]" 1
1390 1 78 GLU H 1 78 GLU QG 4.440 . 4.440 2.342 2.050 2.812 . 0 0 "[ . 1 . 2]" 1
1391 1 78 GLU HA 1 78 GLU QB 2.610 . 2.610 2.444 2.397 2.514 . 0 0 "[ . 1 . 2]" 1
1392 1 78 GLU HA 1 78 GLU QG 3.080 . 3.080 2.522 2.223 2.986 . 0 0 "[ . 1 . 2]" 1
1393 1 78 GLU HA 1 80 MET H 5.500 . 5.500 3.945 3.670 4.255 . 0 0 "[ . 1 . 2]" 1
1394 1 78 GLU HA 1 81 ASN H 5.500 . 5.500 3.492 3.223 3.785 . 0 0 "[ . 1 . 2]" 1
1395 1 78 GLU HA 1 81 ASN HA 5.500 . 5.500 3.706 3.343 4.248 . 0 0 "[ . 1 . 2]" 1
1396 1 78 GLU HA 1 86 CYS HB2 5.500 . 5.500 4.689 4.337 5.032 . 0 0 "[ . 1 . 2]" 1
1397 1 78 GLU HA 1 86 CYS HB3 5.500 . 5.500 5.061 4.566 5.406 . 0 0 "[ . 1 . 2]" 1
1398 1 78 GLU QB 1 79 GLU H 3.680 . 3.680 2.640 2.325 3.046 . 0 0 "[ . 1 . 2]" 1
1399 1 78 GLU QG 1 86 CYS HB3 5.500 . 5.500 4.450 3.336 5.459 . 0 0 "[ . 1 . 2]" 1
1400 1 79 GLU H 1 79 GLU HB2 2.770 . 2.770 2.341 2.163 2.479 . 0 0 "[ . 1 . 2]" 1
1401 1 79 GLU H 1 79 GLU HG2 5.500 . 5.500 3.238 2.204 4.612 . 0 0 "[ . 1 . 2]" 1
1402 1 79 GLU H 1 79 GLU HG3 5.500 . 5.500 3.857 2.420 4.547 . 0 0 "[ . 1 . 2]" 1
1403 1 79 GLU HA 1 79 GLU HB2 2.900 . 2.900 2.862 2.561 2.990 0.090 12 0 "[ . 1 . 2]" 1
1404 1 79 GLU HA 1 79 GLU QG 3.330 . 3.330 2.779 2.305 2.986 . 0 0 "[ . 1 . 2]" 1
1405 1 79 GLU HA 1 81 ASN HA 5.500 . 5.500 5.128 4.733 5.513 0.013 7 0 "[ . 1 . 2]" 1
1406 1 80 MET H 1 80 MET QB 3.460 . 3.460 2.428 2.368 2.462 . 0 0 "[ . 1 . 2]" 1
1407 1 80 MET H 1 80 MET HG2 3.930 . 3.930 3.785 3.611 3.970 0.040 15 0 "[ . 1 . 2]" 1
1408 1 80 MET H 1 80 MET HG3 3.490 . 3.490 2.680 2.514 2.949 . 0 0 "[ . 1 . 2]" 1
1409 1 80 MET H 1 82 LEU HB2 4.390 . 4.390 4.402 4.230 4.475 0.085 6 0 "[ . 1 . 2]" 1
1410 1 80 MET H 1 82 LEU HG 5.500 . 5.500 4.416 4.111 5.175 . 0 0 "[ . 1 . 2]" 1
1411 1 80 MET HA 1 80 MET HG2 2.770 . 2.770 2.530 2.438 2.621 . 0 0 "[ . 1 . 2]" 1
1412 1 80 MET HA 1 80 MET HG3 3.500 . 3.500 3.071 2.966 3.161 . 0 0 "[ . 1 . 2]" 1
1413 1 80 MET HA 1 81 ASN H 3.480 . 3.480 3.210 3.086 3.263 . 0 0 "[ . 1 . 2]" 1
1414 1 80 MET QB 1 82 LEU H 4.310 . 4.310 3.009 2.770 3.403 . 0 0 "[ . 1 . 2]" 1
1415 1 80 MET QB 1 82 LEU MD1 3.720 . 3.720 2.402 2.160 2.666 . 0 0 "[ . 1 . 2]" 1
1416 1 80 MET QB 1 82 LEU MD2 5.340 . 5.340 3.385 3.084 3.880 . 0 0 "[ . 1 . 2]" 1
1417 1 80 MET QB 1 82 LEU HG 3.220 . 3.220 2.162 1.979 2.667 . 0 0 "[ . 1 . 2]" 1
1418 1 80 MET HB2 1 82 LEU HB2 5.500 . 5.500 3.177 2.721 3.491 . 0 0 "[ . 1 . 2]" 1
1419 1 80 MET HB2 1 82 LEU HB3 5.500 . 5.500 4.574 4.290 4.828 . 0 0 "[ . 1 . 2]" 1
1420 1 80 MET HB3 1 82 LEU HB2 5.500 . 5.500 4.356 3.872 4.620 . 0 0 "[ . 1 . 2]" 1
1421 1 80 MET HB3 1 82 LEU HB3 5.500 . 5.500 5.363 5.057 5.505 0.005 17 0 "[ . 1 . 2]" 1
1422 1 80 MET HG3 1 82 LEU MD1 5.500 . 5.500 4.026 3.707 4.363 . 0 0 "[ . 1 . 2]" 1
1423 1 80 MET HG3 1 82 LEU HG 5.500 . 5.500 4.716 4.459 5.276 . 0 0 "[ . 1 . 2]" 1
1424 1 81 ASN H 1 81 ASN HA 2.400 . 2.400 2.251 2.214 2.278 . 0 0 "[ . 1 . 2]" 1
1425 1 81 ASN H 1 81 ASN HB2 3.230 . 3.230 3.181 3.082 3.238 0.008 9 0 "[ . 1 . 2]" 1
1426 1 81 ASN HA 1 81 ASN HB2 2.710 . 2.710 2.541 2.496 2.625 . 0 0 "[ . 1 . 2]" 1
1427 1 81 ASN HA 1 82 LEU H 3.190 . 3.190 2.877 2.739 3.017 . 0 0 "[ . 1 . 2]" 1
1428 1 81 ASN HA 1 82 LEU HG 5.500 . 5.500 5.197 4.969 5.527 0.027 5 0 "[ . 1 . 2]" 1
1429 1 81 ASN HB2 1 81 ASN HD21 3.190 . 3.190 3.047 2.831 3.294 0.104 5 0 "[ . 1 . 2]" 1
1430 1 81 ASN HB2 1 81 ASN HD22 3.980 . 3.980 3.846 3.731 3.986 0.006 1 0 "[ . 1 . 2]" 1
1431 1 81 ASN HB2 1 82 LEU H 5.500 . 5.500 4.546 4.482 4.599 . 0 0 "[ . 1 . 2]" 1
1432 1 81 ASN HB3 1 81 ASN HD21 3.130 . 3.130 2.175 2.058 2.267 . 0 0 "[ . 1 . 2]" 1
1433 1 81 ASN HB3 1 81 ASN HD22 3.610 . 3.610 3.465 3.414 3.516 . 0 0 "[ . 1 . 2]" 1
1434 1 81 ASN HB3 1 82 LEU H 5.500 . 5.500 4.089 3.951 4.204 . 0 0 "[ . 1 . 2]" 1
1435 1 82 LEU H 1 82 LEU HB2 3.160 . 3.160 2.328 2.114 2.429 . 0 0 "[ . 1 . 2]" 1
1436 1 82 LEU H 1 82 LEU HB3 3.690 . 3.690 3.573 3.431 3.638 . 0 0 "[ . 1 . 2]" 1
1437 1 82 LEU H 1 82 LEU MD2 4.030 . 4.030 3.666 3.497 4.058 0.028 5 0 "[ . 1 . 2]" 1
1438 1 82 LEU H 1 82 LEU HG 5.500 . 5.500 2.752 2.545 3.159 . 0 0 "[ . 1 . 2]" 1
1439 1 82 LEU HA 1 82 LEU MD2 2.400 . 2.400 2.028 1.840 2.140 . 0 0 "[ . 1 . 2]" 1
1440 1 82 LEU HA 1 82 LEU HG 3.310 . 3.310 3.043 2.571 3.147 . 0 0 "[ . 1 . 2]" 1
1441 1 82 LEU HA 1 83 THR H 2.690 . 2.690 2.201 2.123 2.370 . 0 0 "[ . 1 . 2]" 1
1442 1 82 LEU HA 1 83 THR MG 5.500 . 5.500 4.214 3.904 4.498 . 0 0 "[ . 1 . 2]" 1
1443 1 82 LEU HA 1 84 GLU QG 5.040 . 5.040 4.031 3.399 4.563 . 0 0 "[ . 1 . 2]" 1
1444 1 82 LEU HB2 1 82 LEU MD1 2.690 . 2.690 2.328 2.263 2.404 . 0 0 "[ . 1 . 2]" 1
1445 1 82 LEU HB2 1 83 THR H 4.670 . 4.670 4.301 4.120 4.487 . 0 0 "[ . 1 . 2]" 1
1446 1 82 LEU HB2 1 84 GLU QG 5.500 . 5.500 5.381 5.074 5.536 0.036 9 0 "[ . 1 . 2]" 1
1447 1 82 LEU HB2 1 86 CYS H 5.500 . 5.500 4.528 4.260 4.997 . 0 0 "[ . 1 . 2]" 1
1448 1 82 LEU HB2 1 86 CYS HB2 5.500 . 5.500 3.200 2.805 3.744 . 0 0 "[ . 1 . 2]" 1
1449 1 82 LEU HB3 1 82 LEU MD1 2.720 . 2.720 2.388 2.289 2.518 . 0 0 "[ . 1 . 2]" 1
1450 1 82 LEU HB3 1 82 LEU MD2 2.660 . 2.660 2.339 2.114 2.448 . 0 0 "[ . 1 . 2]" 1
1451 1 82 LEU HB3 1 83 THR H 4.210 . 4.210 3.557 3.064 4.215 0.005 7 0 "[ . 1 . 2]" 1
1452 1 82 LEU HB3 1 84 GLU QG 5.500 . 5.500 3.878 3.632 4.059 . 0 0 "[ . 1 . 2]" 1
1453 1 82 LEU HB3 1 85 LEU H 4.060 . 4.060 3.881 3.679 4.078 0.018 11 0 "[ . 1 . 2]" 1
1454 1 82 LEU HB3 1 86 CYS H 4.690 . 4.690 3.587 3.180 3.978 . 0 0 "[ . 1 . 2]" 1
1455 1 82 LEU MD1 1 84 GLU QG 5.500 . 5.500 4.720 4.482 5.054 . 0 0 "[ . 1 . 2]" 1
1456 1 82 LEU MD1 1 86 CYS HB2 5.500 . 5.500 4.362 3.832 4.895 . 0 0 "[ . 1 . 2]" 1
1457 1 82 LEU MD2 1 83 THR H 3.760 . 3.760 3.628 2.881 3.905 0.145 16 0 "[ . 1 . 2]" 1
1458 1 82 LEU MD2 1 84 GLU QG 3.570 . 3.570 3.456 2.567 3.638 0.068 17 0 "[ . 1 . 2]" 1
1459 1 82 LEU MD2 1 86 CYS HB2 5.500 . 5.500 5.150 3.912 5.550 0.050 8 0 "[ . 1 . 2]" 1
1460 1 83 THR HA 1 83 THR HB 2.840 . 2.840 2.585 2.521 2.631 . 0 0 "[ . 1 . 2]" 1
1461 1 83 THR HA 1 83 THR MG 2.570 . 2.570 2.225 2.175 2.268 . 0 0 "[ . 1 . 2]" 1
1462 1 83 THR HA 1 86 CYS HB2 3.720 . 3.720 3.678 3.462 3.779 0.059 6 0 "[ . 1 . 2]" 1
1463 1 83 THR HA 1 86 CYS HB3 2.730 . 2.730 2.554 2.247 2.753 0.023 17 0 "[ . 1 . 2]" 1
1464 1 83 THR HA 1 87 LYS QD 5.140 . 5.140 3.546 3.356 3.728 . 0 0 "[ . 1 . 2]" 1
1465 1 83 THR HA 1 87 LYS QE 5.500 . 5.500 5.478 5.318 5.595 0.095 15 0 "[ . 1 . 2]" 1
1466 1 83 THR HA 1 87 LYS QG 4.770 . 4.770 3.062 2.894 3.235 . 0 0 "[ . 1 . 2]" 1
1467 1 83 THR HB 1 84 GLU H 3.400 . 3.400 2.978 2.658 3.419 0.019 2 0 "[ . 1 . 2]" 1
1468 1 83 THR HB 1 84 GLU QB 5.160 . 5.160 4.669 4.420 5.031 . 0 0 "[ . 1 . 2]" 1
1469 1 83 THR HB 1 84 GLU QG 5.500 . 5.500 5.000 4.526 5.523 0.023 11 0 "[ . 1 . 2]" 1
1470 1 83 THR HB 1 86 CYS HB3 5.500 . 5.500 4.767 4.432 4.947 . 0 0 "[ . 1 . 2]" 1
1471 1 83 THR HB 1 87 LYS H 4.790 . 4.790 4.715 4.463 4.808 0.018 6 0 "[ . 1 . 2]" 1
1472 1 83 THR HB 1 87 LYS QD 5.500 . 5.500 2.285 2.127 2.461 . 0 0 "[ . 1 . 2]" 1
1473 1 83 THR HB 1 87 LYS QE 4.380 . 4.380 4.215 3.960 4.394 0.014 5 0 "[ . 1 . 2]" 1
1474 1 83 THR MG 1 84 GLU QG 5.500 . 5.500 5.245 4.879 5.593 0.093 14 0 "[ . 1 . 2]" 1
1475 1 83 THR MG 1 87 LYS QB 5.500 . 5.500 5.160 4.948 5.319 . 0 0 "[ . 1 . 2]" 1
1476 1 83 THR MG 1 87 LYS QD 5.500 . 5.500 3.157 2.999 3.288 . 0 0 "[ . 1 . 2]" 1
1477 1 83 THR MG 1 87 LYS QE 4.780 . 4.780 4.850 4.794 4.887 0.107 9 0 "[ . 1 . 2]" 1
1478 1 84 GLU H 1 84 GLU HA 2.850 . 2.850 2.680 2.619 2.727 . 0 0 "[ . 1 . 2]" 1
1479 1 84 GLU H 1 84 GLU QG 2.650 . 2.650 2.268 1.993 2.681 0.031 4 0 "[ . 1 . 2]" 1
1480 1 84 GLU HA 1 84 GLU QB 2.400 . 2.400 2.158 2.146 2.174 . 0 0 "[ . 1 . 2]" 1
1481 1 84 GLU HA 1 87 LYS H 4.450 . 4.450 4.067 3.808 4.379 . 0 0 "[ . 1 . 2]" 1
1482 1 84 GLU HA 1 87 LYS QD 3.670 . 3.670 2.866 2.279 3.517 . 0 0 "[ . 1 . 2]" 1
1483 1 84 GLU HA 1 87 LYS QE 4.000 . 4.000 4.049 3.863 4.112 0.112 8 0 "[ . 1 . 2]" 1
1484 1 84 GLU QB 1 85 LEU H 2.930 . 2.930 2.920 2.767 3.000 0.070 7 0 "[ . 1 . 2]" 1
1485 1 84 GLU QG 1 85 LEU QD 5.440 . 5.440 2.059 1.891 2.943 . 0 0 "[ . 1 . 2]" 1
1486 1 84 GLU QG 1 86 CYS HB2 5.500 . 5.500 5.482 5.267 5.548 0.048 15 0 "[ . 1 . 2]" 1
1487 1 84 GLU QG 1 86 CYS HB3 5.500 . 5.500 5.462 5.209 5.546 0.046 4 0 "[ . 1 . 2]" 1
1488 1 85 LEU H 1 85 LEU QB 2.800 . 2.800 2.705 2.598 2.822 0.022 5 0 "[ . 1 . 2]" 1
1489 1 85 LEU H 1 85 LEU HG 3.930 . 3.930 3.203 1.830 3.431 . 0 0 "[ . 1 . 2]" 1
1490 1 85 LEU HA 1 88 MET H 5.500 . 5.500 3.059 2.912 3.235 . 0 0 "[ . 1 . 2]" 1
1491 1 85 LEU HA 1 88 MET QB 3.140 . 3.140 2.545 2.125 3.145 0.005 15 0 "[ . 1 . 2]" 1
1492 1 85 LEU HA 1 88 MET QG 5.340 . 5.340 3.237 2.133 4.489 . 0 0 "[ . 1 . 2]" 1
1493 1 85 LEU HA 1 89 ALA MB 5.500 . 5.500 5.230 4.914 5.516 0.016 6 0 "[ . 1 . 2]" 1
1494 1 85 LEU QB 1 86 CYS H 4.110 . 4.110 3.718 3.637 3.808 . 0 0 "[ . 1 . 2]" 1
1495 1 85 LEU QB 1 86 CYS HA 5.340 . 5.340 4.489 4.369 4.596 . 0 0 "[ . 1 . 2]" 1
1496 1 85 LEU QD 1 86 CYS HB3 5.440 . 5.440 4.398 3.893 5.134 . 0 0 "[ . 1 . 2]" 1
1497 1 85 LEU QD 1 88 MET QB 5.280 . 5.280 4.493 4.192 4.785 . 0 0 "[ . 1 . 2]" 1
1498 1 85 LEU HG 1 86 CYS HA 5.500 . 5.500 3.793 3.580 4.996 . 0 0 "[ . 1 . 2]" 1
1499 1 85 LEU HG 1 86 CYS HB2 4.530 . 4.530 3.916 3.642 4.553 0.023 20 0 "[ . 1 . 2]" 1
1500 1 85 LEU HG 1 88 MET QB 5.340 . 5.340 5.080 4.796 5.474 0.134 20 0 "[ . 1 . 2]" 1
1501 1 86 CYS H 1 86 CYS HB2 2.860 . 2.860 2.499 2.438 2.618 . 0 0 "[ . 1 . 2]" 1
1502 1 86 CYS H 1 86 CYS HB3 2.830 . 2.830 2.428 2.280 2.540 . 0 0 "[ . 1 . 2]" 1
1503 1 86 CYS HA 1 86 CYS HB2 2.820 . 2.820 2.496 2.402 2.560 . 0 0 "[ . 1 . 2]" 1
1504 1 86 CYS HA 1 88 MET H 4.400 . 4.400 3.893 3.668 4.236 . 0 0 "[ . 1 . 2]" 1
1505 1 86 CYS HA 1 88 MET QB 5.340 . 5.340 4.524 4.170 4.810 . 0 0 "[ . 1 . 2]" 1
1506 1 86 CYS HA 1 89 ALA H 5.500 . 5.500 3.145 2.976 3.353 . 0 0 "[ . 1 . 2]" 1
1507 1 86 CYS HA 1 89 ALA MB 3.040 . 3.040 2.589 2.359 2.765 . 0 0 "[ . 1 . 2]" 1
1508 1 86 CYS HB2 1 87 LYS H 3.870 . 3.870 3.795 3.655 3.867 . 0 0 "[ . 1 . 2]" 1
1509 1 86 CYS HB2 1 89 ALA MB 5.160 . 5.160 4.578 4.335 4.785 . 0 0 "[ . 1 . 2]" 1
1510 1 86 CYS HB3 1 87 LYS H 3.050 . 3.050 2.504 2.235 2.635 . 0 0 "[ . 1 . 2]" 1
1511 1 86 CYS HB3 1 87 LYS QD 4.860 . 4.860 4.559 4.301 4.735 . 0 0 "[ . 1 . 2]" 1
1512 1 86 CYS HB3 1 87 LYS QG 4.420 . 4.420 3.155 2.909 3.337 . 0 0 "[ . 1 . 2]" 1
1513 1 87 LYS H 1 87 LYS HA 2.920 . 2.920 2.820 2.808 2.836 . 0 0 "[ . 1 . 2]" 1
1514 1 87 LYS H 1 87 LYS QB 2.490 . 2.490 2.322 2.241 2.438 . 0 0 "[ . 1 . 2]" 1
1515 1 87 LYS H 1 87 LYS QD 3.510 . 3.510 3.469 3.367 3.533 0.023 8 0 "[ . 1 . 2]" 1
1516 1 87 LYS H 1 87 LYS QG 3.050 . 3.050 2.292 2.036 2.446 . 0 0 "[ . 1 . 2]" 1
1517 1 87 LYS HA 1 87 LYS QB 2.610 . 2.610 2.387 2.338 2.410 . 0 0 "[ . 1 . 2]" 1
1518 1 87 LYS HA 1 87 LYS QE 4.470 . 4.470 4.153 3.944 4.379 . 0 0 "[ . 1 . 2]" 1
1519 1 87 LYS HA 1 87 LYS HG2 3.190 . 3.190 2.636 2.524 2.739 . 0 0 "[ . 1 . 2]" 1
1520 1 87 LYS HA 1 87 LYS HG3 3.190 . 3.190 2.796 2.664 2.971 . 0 0 "[ . 1 . 2]" 1
1521 1 87 LYS HA 1 90 LYS QD 5.500 . 5.500 2.720 1.952 4.741 . 0 0 "[ . 1 . 2]" 1
1522 1 87 LYS QB 1 87 LYS QE 3.050 . 3.050 1.998 1.926 2.061 . 0 0 "[ . 1 . 2]" 1
1523 1 87 LYS QB 1 88 MET H 5.500 . 5.500 2.915 2.607 3.139 . 0 0 "[ . 1 . 2]" 1
1524 1 87 LYS QB 1 90 LYS H 5.500 . 5.500 4.720 4.454 4.918 . 0 0 "[ . 1 . 2]" 1
1525 1 87 LYS QD 1 88 MET H 5.500 . 5.500 5.023 4.634 5.272 . 0 0 "[ . 1 . 2]" 1
1526 1 87 LYS QE 1 87 LYS HG2 3.520 . 3.520 2.590 2.336 2.930 . 0 0 "[ . 1 . 2]" 1
1527 1 87 LYS QE 1 87 LYS QG 2.700 . 2.700 2.500 2.285 2.766 0.066 18 0 "[ . 1 . 2]" 1
1528 1 87 LYS QE 1 87 LYS HG3 3.520 . 3.520 3.332 3.229 3.460 . 0 0 "[ . 1 . 2]" 1
1529 1 87 LYS QE 1 91 ALA MB 5.500 . 5.500 5.570 5.512 5.610 0.110 16 0 "[ . 1 . 2]" 1
1530 1 88 MET H 1 88 MET HA 2.920 . 2.920 2.853 2.800 2.892 . 0 0 "[ . 1 . 2]" 1
1531 1 88 MET H 1 88 MET QB 3.150 . 3.150 2.294 2.155 2.462 . 0 0 "[ . 1 . 2]" 1
1532 1 88 MET H 1 88 MET HG2 4.700 . 4.700 3.824 2.466 4.532 . 0 0 "[ . 1 . 2]" 1
1533 1 88 MET H 1 88 MET QG 3.900 . 3.900 3.201 2.307 3.965 0.065 13 0 "[ . 1 . 2]" 1
1534 1 88 MET H 1 88 MET HG3 4.700 . 4.700 3.715 2.337 4.467 . 0 0 "[ . 1 . 2]" 1
1535 1 88 MET H 1 89 ALA MB 4.610 . 4.610 4.056 3.908 4.200 . 0 0 "[ . 1 . 2]" 1
1536 1 88 MET HA 1 88 MET QG 3.040 . 3.040 2.669 2.344 2.974 . 0 0 "[ . 1 . 2]" 1
1537 1 88 MET HA 1 89 ALA MB 5.500 . 5.500 4.997 4.931 5.035 . 0 0 "[ . 1 . 2]" 1
1538 1 88 MET HA 1 91 ALA MB 3.340 . 3.340 2.641 2.318 2.974 . 0 0 "[ . 1 . 2]" 1
1539 1 88 MET QB 1 89 ALA H 3.100 . 3.100 2.483 2.287 2.664 . 0 0 "[ . 1 . 2]" 1
1540 1 88 MET HB2 1 89 ALA H 3.660 . 3.660 3.153 2.365 3.745 0.085 4 0 "[ . 1 . 2]" 1
1541 1 88 MET HB3 1 89 ALA H 3.660 . 3.660 3.034 2.309 3.686 0.026 6 0 "[ . 1 . 2]" 1
1542 1 88 MET QG 1 89 ALA H 5.340 . 5.340 3.842 3.356 4.131 . 0 0 "[ . 1 . 2]" 1
1543 1 88 MET QG 1 89 ALA MB 5.340 . 5.340 4.847 4.180 5.369 0.029 2 0 "[ . 1 . 2]" 1
1544 1 88 MET QG 1 91 ALA MB 4.500 . 4.500 4.201 3.804 4.578 0.078 7 0 "[ . 1 . 2]" 1
1545 1 89 ALA H 1 89 ALA MB 2.430 . 2.430 2.232 2.172 2.264 . 0 0 "[ . 1 . 2]" 1
1546 1 89 ALA H 1 90 LYS QD 5.500 . 5.500 5.495 5.319 5.616 0.116 4 0 "[ . 1 . 2]" 1
1547 1 89 ALA HA 1 91 ALA H 4.160 . 4.160 3.814 3.488 4.175 0.015 2 0 "[ . 1 . 2]" 1
1548 1 89 ALA HA 1 92 GLU H 3.430 . 3.430 3.344 3.176 3.469 0.039 10 0 "[ . 1 . 2]" 1
1549 1 89 ALA HA 1 92 GLU HG2 5.500 . 5.500 5.249 4.407 5.637 0.137 12 0 "[ . 1 . 2]" 1
1550 1 89 ALA HA 1 93 MET HB2 5.500 . 5.500 2.983 2.454 3.527 . 0 0 "[ . 1 . 2]" 1
1551 1 89 ALA HA 1 93 MET HG3 4.730 . 4.730 4.464 3.985 4.817 0.087 3 0 "[ . 1 . 2]" 1
1552 1 89 ALA MB 1 90 LYS QE 5.500 . 5.500 4.710 4.270 5.527 0.027 13 0 "[ . 1 . 2]" 1
1553 1 89 ALA MB 1 91 ALA H 4.960 . 4.960 4.195 4.091 4.506 . 0 0 "[ . 1 . 2]" 1
1554 1 89 ALA MB 1 92 GLU HG3 5.500 . 5.500 5.534 5.416 5.641 0.141 11 0 "[ . 1 . 2]" 1
1555 1 89 ALA MB 1 93 MET HB2 5.500 . 5.500 2.940 2.563 3.332 . 0 0 "[ . 1 . 2]" 1
1556 1 89 ALA MB 1 93 MET HG3 5.500 . 5.500 4.035 3.394 4.567 . 0 0 "[ . 1 . 2]" 1
1557 1 90 LYS H 1 90 LYS QB 2.970 . 2.970 2.447 2.329 2.602 . 0 0 "[ . 1 . 2]" 1
1558 1 90 LYS H 1 90 LYS QD 5.500 . 5.500 3.672 3.442 3.837 . 0 0 "[ . 1 . 2]" 1
1559 1 90 LYS H 1 90 LYS QG 3.120 . 3.120 2.226 1.988 2.650 . 0 0 "[ . 1 . 2]" 1
1560 1 90 LYS HA 1 90 LYS QB 2.770 . 2.770 2.377 2.340 2.430 . 0 0 "[ . 1 . 2]" 1
1561 1 90 LYS HA 1 90 LYS QD 4.700 . 4.700 3.709 2.012 4.270 . 0 0 "[ . 1 . 2]" 1
1562 1 90 LYS HA 1 90 LYS QG 2.990 . 2.990 2.541 2.382 2.983 . 0 0 "[ . 1 . 2]" 1
1563 1 90 LYS HA 1 94 MET HA 5.500 . 5.500 5.008 2.376 5.571 0.071 8 0 "[ . 1 . 2]" 1
1564 1 90 LYS HA 1 94 MET QG 3.900 . 3.900 2.280 1.833 3.308 . 0 0 "[ . 1 . 2]" 1
1565 1 90 LYS QB 1 90 LYS QD 2.400 . 2.400 2.196 2.076 2.344 . 0 0 "[ . 1 . 2]" 1
1566 1 90 LYS QB 1 90 LYS QE 3.550 . 3.550 3.255 2.157 3.597 0.047 20 0 "[ . 1 . 2]" 1
1567 1 90 LYS QB 1 91 ALA H 3.420 . 3.420 3.047 2.303 3.366 . 0 0 "[ . 1 . 2]" 1
1568 1 90 LYS QB 1 94 MET QG 5.340 . 5.340 3.700 3.047 4.263 . 0 0 "[ . 1 . 2]" 1
1569 1 90 LYS QD 1 91 ALA H 5.500 . 5.500 5.116 4.752 5.430 . 0 0 "[ . 1 . 2]" 1
1570 1 90 LYS QE 1 90 LYS QG 3.310 . 3.310 2.177 2.047 2.341 . 0 0 "[ . 1 . 2]" 1
1571 1 91 ALA H 1 91 ALA MB 2.550 . 2.550 2.332 2.222 2.417 . 0 0 "[ . 1 . 2]" 1
1572 1 91 ALA H 1 92 GLU HG2 5.500 . 5.500 4.676 3.575 5.314 . 0 0 "[ . 1 . 2]" 1
1573 1 91 ALA HA 1 92 GLU H 3.400 . 3.400 3.371 3.253 3.456 0.056 6 0 "[ . 1 . 2]" 1
1574 1 91 ALA HA 1 92 GLU HB2 5.500 . 5.500 5.561 5.505 5.622 0.122 6 0 "[ . 1 . 2]" 1
1575 1 91 ALA HA 1 94 MET QG 5.340 . 5.340 4.715 3.008 5.462 0.122 11 0 "[ . 1 . 2]" 1
1576 1 91 ALA MB 1 92 GLU H 3.420 . 3.420 2.822 2.082 3.341 . 0 0 "[ . 1 . 2]" 1
1577 1 91 ALA MB 1 92 GLU HG2 3.890 . 3.890 3.168 2.337 3.910 0.020 16 0 "[ . 1 . 2]" 1
1578 1 91 ALA MB 1 92 GLU QG 4.500 . 4.500 2.663 2.317 3.049 . 0 0 "[ . 1 . 2]" 1
1579 1 91 ALA MB 1 92 GLU HG3 3.690 . 3.690 3.235 2.555 3.813 0.123 11 0 "[ . 1 . 2]" 1
1580 1 92 GLU H 1 92 GLU HG2 5.500 . 5.500 3.251 2.248 4.020 . 0 0 "[ . 1 . 2]" 1
1581 1 92 GLU H 1 92 GLU HG3 5.500 . 5.500 3.149 2.359 4.054 . 0 0 "[ . 1 . 2]" 1
1582 1 92 GLU HA 1 92 GLU HB2 3.020 . 3.020 2.946 2.915 2.982 . 0 0 "[ . 1 . 2]" 1
1583 1 92 GLU HA 1 92 GLU HG2 2.790 . 2.790 2.505 2.271 2.826 0.036 15 0 "[ . 1 . 2]" 1
1584 1 92 GLU HA 1 92 GLU QG 3.650 . 3.650 2.443 2.238 2.747 . 0 0 "[ . 1 . 2]" 1
1585 1 92 GLU HB2 1 92 GLU HG3 2.400 . 2.400 2.267 2.155 2.377 . 0 0 "[ . 1 . 2]" 1
1586 1 92 GLU HB2 1 93 MET HG3 5.500 . 5.500 5.152 3.788 5.462 . 0 0 "[ . 1 . 2]" 1
1587 1 92 GLU HB3 1 93 MET H 5.500 . 5.500 3.331 2.958 3.768 . 0 0 "[ . 1 . 2]" 1
1588 1 92 GLU HB3 1 93 MET HG3 5.500 . 5.500 5.457 3.632 5.663 0.163 10 0 "[ . 1 . 2]" 1
1589 1 93 MET H 1 93 MET HG3 4.210 . 4.210 4.058 2.903 4.265 0.055 10 0 "[ . 1 . 2]" 1
1590 1 93 MET HA 1 93 MET HG2 3.090 . 3.090 2.479 2.143 2.988 . 0 0 "[ . 1 . 2]" 1
1591 1 93 MET HA 1 93 MET HG3 3.770 . 3.770 3.325 2.494 3.688 . 0 0 "[ . 1 . 2]" 1
1592 1 93 MET HA 1 94 MET QG 5.000 . 5.000 4.852 3.944 5.085 0.085 6 0 "[ . 1 . 2]" 1
1593 1 94 MET H 1 94 MET QG 3.550 . 3.550 2.562 1.942 3.265 . 0 0 "[ . 1 . 2]" 1
1594 1 94 MET HA 1 94 MET QB 2.490 . 2.490 2.324 2.165 2.423 . 0 0 "[ . 1 . 2]" 1
1595 1 94 MET HA 1 95 GLU H 2.750 . 2.750 2.271 2.071 2.829 0.079 18 0 "[ . 1 . 2]" 1
1596 1 94 MET QB 1 94 MET HG2 2.570 . 2.570 2.334 2.132 2.419 . 0 0 "[ . 1 . 2]" 1
1597 1 94 MET QB 1 94 MET HG3 2.570 . 2.570 2.266 2.145 2.408 . 0 0 "[ . 1 . 2]" 1
1598 1 94 MET QB 1 95 GLU H 3.730 . 3.730 3.144 1.800 3.783 0.053 2 0 "[ . 1 . 2]" 1
1599 1 95 GLU H 1 95 GLU QB 3.020 . 3.020 2.553 2.166 3.070 0.050 4 0 "[ . 1 . 2]" 1
1600 1 95 GLU H 1 95 GLU QG 4.000 . 4.000 2.931 1.796 4.068 0.068 19 0 "[ . 1 . 2]" 1
1601 1 95 GLU H 1 96 ASP HA 5.500 . 5.500 5.154 4.371 5.632 0.132 16 0 "[ . 1 . 2]" 1
1602 1 95 GLU HA 1 95 GLU QB 2.620 . 2.620 2.314 2.162 2.461 . 0 0 "[ . 1 . 2]" 1
1603 1 95 GLU HA 1 95 GLU QG 3.480 . 3.480 2.867 2.384 3.526 0.046 20 0 "[ . 1 . 2]" 1
1604 1 95 GLU HA 1 96 ASP H 2.830 . 2.830 2.444 2.034 2.930 0.100 7 0 "[ . 1 . 2]" 1
1605 1 95 GLU HA 1 96 ASP QB 5.500 . 5.500 4.323 3.907 4.932 . 0 0 "[ . 1 . 2]" 1
1606 1 95 GLU QG 1 96 ASP H 5.500 . 5.500 3.844 2.295 4.401 . 0 0 "[ . 1 . 2]" 1
1607 1 95 GLU QG 1 96 ASP QB 5.500 . 5.500 4.917 3.306 5.734 0.234 4 0 "[ . 1 . 2]" 1
1608 1 96 ASP H 1 96 ASP QB 2.750 . 2.750 2.460 2.102 2.857 0.107 15 0 "[ . 1 . 2]" 1
1609 1 96 ASP HA 1 96 ASP QB 2.550 . 2.550 2.357 2.251 2.421 . 0 0 "[ . 1 . 2]" 1
1610 1 96 ASP HA 1 97 GLY H 3.500 . 3.500 2.624 2.009 3.528 0.028 9 0 "[ . 1 . 2]" 1
1611 1 96 ASP QB 1 97 GLY QA 5.500 . 5.500 4.070 3.567 4.554 . 0 0 "[ . 1 . 2]" 1
1612 1 97 GLY H 1 97 GLY QA 2.550 . 2.550 2.331 2.141 2.498 . 0 0 "[ . 1 . 2]" 1
1613 1 97 GLY QA 1 98 GLN H 2.630 . 2.630 2.406 2.092 2.687 0.057 18 0 "[ . 1 . 2]" 1
1614 1 97 GLY QA 1 98 GLN HA 5.500 . 5.500 4.006 3.838 4.164 . 0 0 "[ . 1 . 2]" 1
1615 1 97 GLY QA 1 98 GLN QB 5.340 . 5.340 4.321 3.974 4.635 . 0 0 "[ . 1 . 2]" 1
1616 1 97 GLY QA 1 98 GLN QG 4.660 . 4.660 3.870 3.292 4.735 0.075 9 0 "[ . 1 . 2]" 1
1617 1 98 GLN H 1 98 GLN QB 2.680 . 2.680 2.519 2.383 2.725 0.045 16 0 "[ . 1 . 2]" 1
1618 1 98 GLN H 1 98 GLN QG 3.590 . 3.590 2.635 2.007 3.326 . 0 0 "[ . 1 . 2]" 1
1619 1 98 GLN HA 1 98 GLN QG 3.670 . 3.670 2.667 2.421 3.545 . 0 0 "[ . 1 . 2]" 1
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