NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596485 |
2n5a   |
25702 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n5a
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 1204
_Distance_constraint_stats_list.Viol_count 3688
_Distance_constraint_stats_list.Viol_total 7347.045
_Distance_constraint_stats_list.Viol_max 1.538
_Distance_constraint_stats_list.Viol_rms 0.0571
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.0996
_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 1 MET 3.015 0.271 6 0 "[ . 1 . 2]"
1 2 VAL 11.978 0.182 6 0 "[ . 1 . 2]"
1 3 THR 3.330 0.166 13 0 "[ . 1 . 2]"
1 4 GLN 6.143 0.301 15 0 "[ . 1 . 2]"
1 5 PHE 2.647 0.178 12 0 "[ . 1 . 2]"
1 6 LYS 5.354 0.241 4 0 "[ . 1 . 2]"
1 7 THR 3.436 0.241 4 0 "[ . 1 . 2]"
1 8 ALA 5.983 0.153 1 0 "[ . 1 . 2]"
1 9 SER 0.003 0.003 20 0 "[ . 1 . 2]"
1 10 GLU 1.797 0.179 6 0 "[ . 1 . 2]"
1 11 PHE 16.770 0.436 6 0 "[ . 1 . 2]"
1 12 ASP 4.683 0.173 16 0 "[ . 1 . 2]"
1 13 SER 0.605 0.054 5 0 "[ . 1 . 2]"
1 14 ALA 8.199 0.241 18 0 "[ . 1 . 2]"
1 15 ILE 22.898 0.659 13 20 [-***********+*******]
1 16 ALA 3.508 0.120 7 0 "[ . 1 . 2]"
1 17 GLN 8.430 0.972 19 4 "[* . 1 *. +-]"
1 18 ASP 0.133 0.083 14 0 "[ . 1 . 2]"
1 19 LYS 5.373 0.972 19 4 "[* . 1 *. +-]"
1 20 LEU 5.581 0.400 20 0 "[ . 1 . 2]"
1 21 VAL 3.054 0.200 19 0 "[ . 1 . 2]"
1 22 VAL 1.797 0.409 9 0 "[ . 1 . 2]"
1 23 VAL 13.217 0.659 13 20 [-***********+*******]
1 24 ALA 11.000 0.250 17 0 "[ . 1 . 2]"
1 25 PHE 4.682 0.231 18 0 "[ . 1 . 2]"
1 26 TYR 4.864 0.200 20 0 "[ . 1 . 2]"
1 27 ALA 0.275 0.198 8 0 "[ . 1 . 2]"
1 28 THR 2.609 0.248 4 0 "[ . 1 . 2]"
1 29 TRP 1.781 0.144 6 0 "[ . 1 . 2]"
1 30 CYS 1.486 0.198 8 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 1.389 0.270 2 0 "[ . 1 . 2]"
1 35 MET 13.637 0.636 3 1 "[ + . 1 . 2]"
1 36 ILE 8.073 0.508 3 1 "[ + . 1 . 2]"
1 37 ALA 3.162 0.270 2 0 "[ . 1 . 2]"
1 38 PRO 2.425 0.126 5 0 "[ . 1 . 2]"
1 39 MET 19.565 0.285 3 0 "[ . 1 . 2]"
1 40 ILE 9.536 0.285 3 0 "[ . 1 . 2]"
1 41 GLU 10.059 0.269 10 0 "[ . 1 . 2]"
1 42 LYS 1.532 0.184 7 0 "[ . 1 . 2]"
1 43 PHE 8.610 1.538 17 1 "[ . 1 . + 2]"
1 44 SER 5.635 0.269 10 0 "[ . 1 . 2]"
1 45 GLU 5.993 0.687 10 5 "[ *. +* * - 2]"
1 46 GLN 7.421 0.902 15 2 "[ . * + 2]"
1 47 TYR 9.730 0.718 15 1 "[ . 1 + 2]"
1 48 PRO 0.159 0.049 6 0 "[ . 1 . 2]"
1 49 GLN 8.266 0.330 18 0 "[ . 1 . 2]"
1 50 ALA 7.121 0.202 14 0 "[ . 1 . 2]"
1 51 ASP 7.751 0.253 8 0 "[ . 1 . 2]"
1 52 PHE 0.970 0.087 12 0 "[ . 1 . 2]"
1 53 TYR 10.240 0.253 8 0 "[ . 1 . 2]"
1 54 LYS 1.505 0.103 4 0 "[ . 1 . 2]"
1 55 LEU 6.026 0.223 7 0 "[ . 1 . 2]"
1 56 ASP 0.022 0.019 12 0 "[ . 1 . 2]"
1 57 VAL 3.867 0.232 9 0 "[ . 1 . 2]"
1 58 ASP 0.556 0.144 6 0 "[ . 1 . 2]"
1 59 GLU 5.501 0.527 13 4 "[ *. 1 + * -2]"
1 60 LEU 0.622 0.121 1 0 "[ . 1 . 2]"
1 61 GLY 0.001 0.001 1 0 "[ . 1 . 2]"
1 62 ASP 7.002 0.396 16 0 "[ . 1 . 2]"
1 63 VAL 8.631 0.196 1 0 "[ . 1 . 2]"
1 64 ALA 6.255 0.285 19 0 "[ . 1 . 2]"
1 65 GLN 6.319 0.213 13 0 "[ . 1 . 2]"
1 66 LYS 15.284 0.478 6 0 "[ . 1 . 2]"
1 67 ASN 7.902 0.306 13 0 "[ . 1 . 2]"
1 68 GLU 8.826 0.211 17 0 "[ . 1 . 2]"
1 69 VAL 7.097 0.306 13 0 "[ . 1 . 2]"
1 70 SER 0.054 0.027 4 0 "[ . 1 . 2]"
1 71 ALA 0.054 0.027 4 0 "[ . 1 . 2]"
1 72 MET 6.855 0.395 13 0 "[ . 1 . 2]"
1 73 PRO 7.348 0.636 3 1 "[ + . 1 . 2]"
1 74 THR 6.758 0.186 1 0 "[ . 1 . 2]"
1 75 LEU 18.975 0.291 4 0 "[ . 1 . 2]"
1 76 LEU 10.425 0.436 6 0 "[ . 1 . 2]"
1 77 LEU 21.474 0.479 4 0 "[ . 1 . 2]"
1 78 PHE 18.242 0.659 13 20 [-***********+*******]
1 79 LYS 9.185 0.791 6 3 "[ .+- 1 * . 2]"
1 80 ASN 4.817 0.791 6 3 "[ .+- 1 * . 2]"
1 81 GLY 5.695 0.247 16 0 "[ . 1 . 2]"
1 82 LYS 9.032 0.866 5 6 "[* -*+ * 1 . * 2]"
1 83 GLU 8.558 0.304 17 0 "[ . 1 . 2]"
1 84 VAL 10.993 0.175 5 0 "[ . 1 . 2]"
1 85 ALA 10.227 0.238 15 0 "[ . 1 . 2]"
1 86 LYS 6.447 0.479 4 0 "[ . 1 . 2]"
1 87 VAL 3.097 0.156 18 0 "[ . 1 . 2]"
1 88 VAL 0.019 0.018 3 0 "[ . 1 . 2]"
1 89 GLY 4.613 0.221 11 0 "[ . 1 . 2]"
1 90 ALA 12.804 0.226 17 0 "[ . 1 . 2]"
1 91 ASN 6.780 0.291 4 0 "[ . 1 . 2]"
1 92 PRO 5.947 0.250 8 0 "[ . 1 . 2]"
1 93 ALA 2.034 0.125 1 0 "[ . 1 . 2]"
1 94 ALA 3.486 0.199 7 0 "[ . 1 . 2]"
1 95 ILE 4.668 0.125 1 0 "[ . 1 . 2]"
1 96 LYS 5.745 1.538 17 1 "[ . 1 . + 2]"
1 97 GLN 6.114 0.488 6 0 "[ . 1 . 2]"
1 98 ALA 10.950 1.368 14 3 "[ . 1*- +. 2]"
1 99 ILE 26.176 1.368 14 3 "[ . 1** +. 2]"
1 100 ALA 3.955 0.161 6 0 "[ . 1 . 2]"
1 101 ALA 6.020 0.935 16 5 "[ *-. * .+ *]"
1 102 ASN 11.857 0.935 16 5 "[ *-. * .+ *]"
1 103 ALA 2.064 0.319 20 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 5 PHE QE 1 23 VAL QG 2.140 . 2.713 1.993 1.831 2.388 . 0 0 "[ . 1 . 2]" 1
2 1 26 TYR QB 1 26 TYR QD 2.030 . 2.545 2.137 2.132 2.144 . 0 0 "[ . 1 . 2]" 1
3 1 47 TYR QB 1 47 TYR QD 2.155 . 2.735 2.126 2.122 2.129 . 0 0 "[ . 1 . 2]" 1
4 1 46 GLN QB 1 47 TYR QD 2.650 . 3.528 2.654 2.287 3.461 . 0 0 "[ . 1 . 2]" 1
5 1 46 GLN QB 1 47 TYR QE 2.831 . 3.833 3.280 2.992 3.864 0.031 15 0 "[ . 1 . 2]" 1
6 1 15 ILE MD 1 15 ILE QG 2.217 . 2.832 1.888 1.885 1.890 . 0 0 "[ . 1 . 2]" 1
7 1 14 ALA MB 1 15 ILE MD 1.941 . 2.412 2.184 2.054 2.408 . 0 0 "[ . 1 . 2]" 1
8 1 27 ALA MB 1 29 TRP HD1 2.637 . 3.506 2.831 2.549 3.012 . 0 0 "[ . 1 . 2]" 1
9 1 27 ALA MB 1 29 TRP H 2.584 . 3.419 2.451 2.333 2.569 . 0 0 "[ . 1 . 2]" 1
10 1 34 LYS QB 1 37 ALA MB 2.619 . 3.477 3.492 3.290 3.747 0.270 2 0 "[ . 1 . 2]" 1
11 1 94 ALA HA 1 94 ALA MB 1.731 . 2.106 1.897 1.894 1.900 . 0 0 "[ . 1 . 2]" 1
12 1 94 ALA HA 1 97 GLN QB 1.927 . 2.391 2.485 2.428 2.590 0.199 7 0 "[ . 1 . 2]" 1
13 1 78 PHE HA 1 78 PHE QB 2.239 . 2.866 2.433 2.410 2.456 . 0 0 "[ . 1 . 2]" 1
14 1 78 PHE QB 1 78 PHE QD 2.471 . 3.234 2.122 2.118 2.125 . 0 0 "[ . 1 . 2]" 1
15 1 15 ILE HB 1 78 PHE HB2 2.688 . 3.591 4.175 4.094 4.250 0.659 13 20 [-***********+*******] 1
16 1 13 SER HA 1 13 SER QB 1.965 . 2.448 2.374 2.357 2.391 . 0 0 "[ . 1 . 2]" 1
17 1 28 THR HA 1 29 TRP H 2.687 . 3.590 3.176 3.118 3.239 . 0 0 "[ . 1 . 2]" 1
18 1 47 TYR HA 1 47 TYR QB 2.236 . 2.861 2.150 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
19 1 12 ASP HA 1 12 ASP QB 2.002 . 2.503 2.384 2.299 2.456 . 0 0 "[ . 1 . 2]" 1
20 1 12 ASP H 1 12 ASP QB 2.567 . 3.106 2.280 2.201 2.415 . 0 0 "[ . 1 . 2]" 1
21 1 58 ASP HA 1 58 ASP QB 2.186 . 2.783 2.347 2.304 2.420 . 0 0 "[ . 1 . 2]" 1
22 1 49 GLN HA 1 49 GLN HB3 2.065 . 2.598 2.325 2.146 2.607 0.009 13 0 "[ . 1 . 2]" 1
23 1 29 TRP H 1 29 TRP HA 2.355 . 3.048 2.728 2.712 2.744 . 0 0 "[ . 1 . 2]" 1
24 1 102 ASN H 1 102 ASN HB3 2.538 . 3.343 2.788 2.079 3.032 . 0 0 "[ . 1 . 2]" 1
25 1 46 GLN HA 1 46 GLN QB 1.991 . 2.487 2.351 2.213 2.422 . 0 0 "[ . 1 . 2]" 1
26 1 46 GLN QB 1 46 GLN HG3 2.092 . 2.639 2.257 2.137 2.478 . 0 0 "[ . 1 . 2]" 1
27 1 49 GLN HB3 1 49 GLN QG 2.532 . 3.333 2.277 2.105 2.502 . 0 0 "[ . 1 . 2]" 1
28 1 49 GLN HB2 1 49 GLN QG 1.822 . 2.237 2.326 2.138 2.481 0.244 10 0 "[ . 1 . 2]" 1
29 1 49 GLN QE 1 49 GLN QG 2.564 . 3.386 2.240 2.135 2.632 . 0 0 "[ . 1 . 2]" 1
30 1 65 GLN HA 1 65 GLN QB 2.045 . 2.568 2.334 2.161 2.388 . 0 0 "[ . 1 . 2]" 1
31 1 97 GLN HA 1 97 GLN QB 1.930 . 2.395 2.371 2.334 2.470 0.075 2 0 "[ . 1 . 2]" 1
32 1 5 PHE QE 1 10 GLU HA 2.773 . 3.734 3.411 3.382 3.449 . 0 0 "[ . 1 . 2]" 1
33 1 41 GLU H 1 41 GLU QB 2.218 . 2.833 2.304 2.068 2.431 . 0 0 "[ . 1 . 2]" 1
34 1 41 GLU HA 1 41 GLU QB 2.118 . 2.555 2.408 2.342 2.492 . 0 0 "[ . 1 . 2]" 1
35 1 45 GLU HA 1 45 GLU HB2 1.841 . 2.264 2.381 2.197 2.514 0.250 11 0 "[ . 1 . 2]" 1
36 1 68 GLU H 1 68 GLU QB 3.173 . 4.431 3.006 2.907 3.185 . 0 0 "[ . 1 . 2]" 1
37 1 83 GLU H 1 83 GLU QG 2.850 . 3.865 3.948 3.922 3.962 0.097 14 0 "[ . 1 . 2]" 1
38 1 20 LEU HB2 1 20 LEU MD2 1.719 . 2.088 2.197 2.110 2.244 0.156 8 0 "[ . 1 . 2]" 1
39 1 55 LEU HA 1 55 LEU QB 2.259 . 2.897 2.324 2.305 2.351 . 0 0 "[ . 1 . 2]" 1
40 1 55 LEU HB2 1 55 LEU MD2 2.435 . 3.176 2.479 2.414 2.503 . 0 0 "[ . 1 . 2]" 1
41 1 55 LEU QD 1 60 LEU HB3 2.383 . 3.093 2.567 2.270 2.984 . 0 0 "[ . 1 . 2]" 1
42 1 54 LYS HA 1 54 LYS QB 2.101 . 2.653 2.096 2.020 2.202 . 0 0 "[ . 1 . 2]" 1
43 1 75 LEU HA 1 75 LEU QB 2.661 . 3.546 2.340 2.320 2.359 . 0 0 "[ . 1 . 2]" 1
44 1 75 LEU HB2 1 76 LEU H 2.851 . 3.867 3.719 3.603 3.894 0.027 1 0 "[ . 1 . 2]" 1
45 1 24 ALA HA 1 75 LEU HB2 3.046 . 4.206 4.364 4.334 4.392 0.186 1 0 "[ . 1 . 2]" 1
46 1 24 ALA HA 1 75 LEU HB2 3.220 . 4.516 4.172 4.108 4.248 . 0 0 "[ . 1 . 2]" 1
47 1 75 LEU HB2 1 75 LEU MD2 2.330 . 3.009 2.524 2.496 2.548 . 0 0 "[ . 1 . 2]" 1
48 1 75 LEU QB 1 75 LEU MD2 2.457 . 3.211 2.044 2.036 2.053 . 0 0 "[ . 1 . 2]" 1
49 1 75 LEU HB3 1 75 LEU MD2 2.059 . 2.589 1.887 1.879 1.894 . 0 0 "[ . 1 . 2]" 1
50 1 76 LEU HB3 1 76 LEU QD 2.544 . 2.938 2.127 2.106 2.146 . 0 0 "[ . 1 . 2]" 1
51 1 77 LEU HA 1 77 LEU QB 2.247 . 2.878 2.427 2.390 2.446 . 0 0 "[ . 1 . 2]" 1
52 1 77 LEU HB2 1 77 LEU MD2 1.859 . 2.291 1.687 1.665 1.713 . 0 0 "[ . 1 . 2]" 1
53 1 77 LEU QD 1 77 LEU HG 2.031 . 2.547 1.895 1.892 1.902 . 0 0 "[ . 1 . 2]" 1
54 1 15 ILE HA 1 78 PHE QB 2.712 . 3.632 2.773 2.492 2.924 . 0 0 "[ . 1 . 2]" 1
55 1 5 PHE QE 1 13 SER QB 2.797 . 3.775 3.407 3.342 3.445 . 0 0 "[ . 1 . 2]" 1
56 1 15 ILE HB 1 15 ILE QG 2.357 . 3.051 2.161 2.154 2.167 . 0 0 "[ . 1 . 2]" 1
57 1 11 PHE QD 1 15 ILE MD 2.525 . 3.322 2.291 2.163 2.404 . 0 0 "[ . 1 . 2]" 1
58 1 15 ILE QG 1 16 ALA H 2.948 . 4.034 4.012 3.947 4.067 0.033 6 0 "[ . 1 . 2]" 1
59 1 36 ILE HB 1 36 ILE QG 2.301 . 2.963 2.320 2.283 2.351 . 0 0 "[ . 1 . 2]" 1
60 1 63 VAL HA 1 63 VAL HB 2.095 . 2.644 2.686 2.683 2.690 0.046 6 0 "[ . 1 . 2]" 1
61 1 77 LEU MD2 1 99 ILE HA 1.964 . 2.446 2.084 1.856 2.160 . 0 0 "[ . 1 . 2]" 1
62 1 98 ALA MB 1 99 ILE HA 2.342 . 3.028 2.893 2.874 2.909 . 0 0 "[ . 1 . 2]" 1
63 1 38 PRO HA 1 38 PRO QB 1.901 . 2.353 2.179 2.170 2.186 . 0 0 "[ . 1 . 2]" 1
64 1 26 TYR QB 1 73 PRO HA 2.334 . 3.015 2.938 2.653 3.111 0.096 18 0 "[ . 1 . 2]" 1
65 1 17 GLN QB 1 17 GLN QG 2.136 . 2.706 2.079 2.067 2.085 . 0 0 "[ . 1 . 2]" 1
66 1 17 GLN QG 1 21 VAL MG2 3.029 . 4.176 3.707 1.973 4.291 0.115 16 0 "[ . 1 . 2]" 1
67 1 73 PRO QB 1 74 THR H 3.103 . 4.306 2.767 2.424 2.899 . 0 0 "[ . 1 . 2]" 1
68 1 72 MET HB3 1 73 PRO HA 2.338 . 3.021 2.206 2.033 2.254 . 0 0 "[ . 1 . 2]" 1
69 1 64 ALA MB 1 69 VAL QG 2.015 . 2.359 1.756 1.672 1.833 . 0 0 "[ . 1 . 2]" 1
70 1 2 VAL MG1 1 52 PHE HB2 2.336 . 3.018 1.917 1.784 2.027 . 0 0 "[ . 1 . 2]" 1
71 1 21 VAL HB 1 21 VAL QG 2.055 . 2.583 1.890 1.887 1.895 . 0 0 "[ . 1 . 2]" 1
72 1 23 VAL HB 1 23 VAL QG 2.216 . 2.608 1.897 1.891 1.901 . 0 0 "[ . 1 . 2]" 1
73 1 72 MET H 1 72 MET QB 2.978 . 4.087 2.974 2.597 3.253 . 0 0 "[ . 1 . 2]" 1
74 1 72 MET HA 1 72 MET QB 2.512 . 3.301 2.256 2.173 2.383 . 0 0 "[ . 1 . 2]" 1
75 1 35 MET HA 1 35 MET ME 2.778 . 3.743 3.811 3.759 3.877 0.134 15 0 "[ . 1 . 2]" 1
76 1 98 ALA MB 1 99 ILE MD 1.981 . 2.471 2.290 2.200 2.368 . 0 0 "[ . 1 . 2]" 1
77 1 7 THR H 1 7 THR HB 2.871 . 3.901 3.271 2.881 3.621 . 0 0 "[ . 1 . 2]" 1
78 1 7 THR HB 1 9 SER QB 2.936 . 4.014 3.361 2.889 4.017 0.003 20 0 "[ . 1 . 2]" 1
79 1 12 ASP HA 1 15 ILE MG 2.630 . 3.494 3.463 3.425 3.503 0.009 14 0 "[ . 1 . 2]" 1
80 1 5 PHE QE 1 14 ALA HA 2.871 . 3.901 3.924 3.773 3.995 0.094 14 0 "[ . 1 . 2]" 1
81 1 25 PHE HA 1 55 LEU MD2 2.767 . 3.724 3.438 3.264 3.597 . 0 0 "[ . 1 . 2]" 1
82 1 36 ILE HA 1 36 ILE QG 2.477 . 3.244 2.388 2.293 2.506 . 0 0 "[ . 1 . 2]" 1
83 1 63 VAL H 1 65 GLN QG 2.966 . 4.066 4.101 3.997 4.186 0.120 16 0 "[ . 1 . 2]" 1
84 1 49 GLN HA 1 49 GLN QG . . 2.998 3.013 2.565 3.328 0.330 18 0 "[ . 1 . 2]" 1
85 1 49 GLN QG 1 50 ALA MB 2.993 . 4.113 3.774 2.848 4.207 0.094 19 0 "[ . 1 . 2]" 1
86 1 53 TYR HA 1 53 TYR QB 2.322 . 2.996 2.376 2.356 2.396 . 0 0 "[ . 1 . 2]" 1
87 1 55 LEU MD2 1 59 GLU QB 3.068 . 4.244 4.104 3.561 4.380 0.136 18 0 "[ . 1 . 2]" 1
88 1 63 VAL H 1 63 VAL HB 2.142 . 2.715 2.163 2.115 2.208 . 0 0 "[ . 1 . 2]" 1
89 1 55 LEU MD2 1 64 ALA HA 2.694 . 3.601 1.931 1.864 2.005 . 0 0 "[ . 1 . 2]" 1
90 1 65 GLN HA 1 67 ASN H 2.587 . 3.424 3.190 3.124 3.321 . 0 0 "[ . 1 . 2]" 1
91 1 39 MET QB 1 90 ALA MB 2.676 . 3.571 2.729 2.527 2.863 . 0 0 "[ . 1 . 2]" 1
92 1 66 LYS HG3 1 67 ASN HB2 3.050 . 4.213 3.778 3.534 4.205 . 0 0 "[ . 1 . 2]" 1
93 1 70 SER HA 1 70 SER QB 2.155 . 2.735 2.340 2.180 2.419 . 0 0 "[ . 1 . 2]" 1
94 1 74 THR MG 1 76 LEU H 2.846 . 3.859 3.113 3.024 3.241 . 0 0 "[ . 1 . 2]" 1
95 1 21 VAL H 1 77 LEU HA 2.996 . 4.118 4.071 3.974 4.136 0.018 19 0 "[ . 1 . 2]" 1
96 1 77 LEU QB 1 77 LEU MD2 2.422 . 3.155 2.025 2.009 2.038 . 0 0 "[ . 1 . 2]" 1
97 1 78 PHE HA 1 82 LYS H 2.927 . 3.998 3.825 3.706 3.882 . 0 0 "[ . 1 . 2]" 1
98 1 21 VAL QG 1 78 PHE HA 2.758 . 3.709 3.844 3.720 3.909 0.200 19 0 "[ . 1 . 2]" 1
99 1 80 ASN QB 1 82 LYS QG 3.066 . 4.241 3.920 3.162 4.201 . 0 0 "[ . 1 . 2]" 1
100 1 83 GLU QG 1 84 VAL MG2 2.883 . 3.922 3.623 3.566 3.685 . 0 0 "[ . 1 . 2]" 1
101 1 77 LEU HB3 1 84 VAL HB 2.582 . 3.416 3.304 3.228 3.382 . 0 0 "[ . 1 . 2]" 1
102 1 84 VAL MG2 1 102 ASN H 3.089 . 4.282 3.857 3.761 3.947 . 0 0 "[ . 1 . 2]" 1
103 1 79 LYS HA 1 84 VAL MG2 3.152 . 4.394 3.699 3.540 3.799 . 0 0 "[ . 1 . 2]" 1
104 1 36 ILE MD 1 89 GLY HA3 3.174 . 4.433 4.104 3.932 4.212 . 0 0 "[ . 1 . 2]" 1
105 1 36 ILE H 1 90 ALA MB 2.667 . 3.556 3.150 3.017 3.274 . 0 0 "[ . 1 . 2]" 1
106 1 73 PRO HB2 1 90 ALA MB 2.426 . 3.162 3.172 2.853 3.341 0.179 10 0 "[ . 1 . 2]" 1
107 1 98 ALA HA 1 102 ASN H 2.581 . 3.414 2.927 2.728 3.048 . 0 0 "[ . 1 . 2]" 1
108 1 6 LYS HA 1 6 LYS QB 2.599 . 3.443 2.235 2.168 2.312 . 0 0 "[ . 1 . 2]" 1
109 1 19 LYS HA 1 19 LYS QB 1.862 . 2.296 2.182 2.170 2.197 . 0 0 "[ . 1 . 2]" 1
110 1 17 GLN QB 1 19 LYS H 2.888 . 3.930 2.831 2.585 3.286 . 0 0 "[ . 1 . 2]" 1
111 1 19 LYS QB 1 19 LYS QG 2.062 . 2.593 2.067 2.012 2.086 . 0 0 "[ . 1 . 2]" 1
112 1 17 GLN QG 1 19 LYS HD2 3.199 . 4.478 4.304 2.701 5.450 0.972 19 4 "[* . 1 *. +-]" 1
113 1 42 LYS HA 1 42 LYS QB 1.919 . 2.379 2.368 2.314 2.443 0.064 1 0 "[ . 1 . 2]" 1
114 1 11 PHE HB3 1 66 LYS QG 2.573 . 3.401 3.482 3.315 3.628 0.227 20 0 "[ . 1 . 2]" 1
115 1 79 LYS HA 1 79 LYS QB 2.131 . 2.699 2.437 2.379 2.504 . 0 0 "[ . 1 . 2]" 1
116 1 95 ILE H 1 95 ILE MG 2.681 . 3.580 3.231 3.085 3.347 . 0 0 "[ . 1 . 2]" 1
117 1 38 PRO QB 1 38 PRO QD 2.489 . 3.263 2.836 2.804 2.917 . 0 0 "[ . 1 . 2]" 1
118 1 33 CYS HA 1 33 CYS QB 2.294 . 2.952 2.214 2.181 2.413 . 0 0 "[ . 1 . 2]" 1
119 1 82 LYS QG 1 83 GLU H 3.348 . 4.749 4.015 3.307 4.589 . 0 0 "[ . 1 . 2]" 1
120 1 16 ALA HA 1 81 GLY H 2.280 . 2.930 2.503 2.344 2.619 . 0 0 "[ . 1 . 2]" 1
121 1 11 PHE H 1 11 PHE QB 2.359 . 3.055 2.258 2.211 2.283 . 0 0 "[ . 1 . 2]" 1
122 1 25 PHE H 1 75 LEU QB 3.444 . 4.927 4.995 4.917 5.063 0.136 11 0 "[ . 1 . 2]" 1
123 1 9 SER H 1 9 SER QB 2.915 . 3.977 2.445 2.242 2.608 . 0 0 "[ . 1 . 2]" 1
124 1 44 SER H 1 45 GLU QB 3.310 . 4.680 4.168 4.035 4.301 . 0 0 "[ . 1 . 2]" 1
125 1 29 TRP HA 1 30 CYS H 2.885 . 3.925 2.732 2.713 2.756 . 0 0 "[ . 1 . 2]" 1
126 1 45 GLU HB3 1 46 GLN H 2.356 . 3.050 2.321 2.203 2.629 . 0 0 "[ . 1 . 2]" 1
127 1 49 GLN H 1 49 GLN QG 2.910 . 3.968 2.765 1.724 3.970 0.128 18 0 "[ . 1 . 2]" 1
128 1 65 GLN H 1 65 GLN QG 2.810 . 3.797 2.335 2.169 2.886 . 0 0 "[ . 1 . 2]" 1
129 1 97 GLN H 1 97 GLN QB 2.091 . 2.637 2.254 2.200 2.327 . 0 0 "[ . 1 . 2]" 1
130 1 9 SER HB2 1 10 GLU H 2.382 . 3.091 2.418 2.200 2.694 . 0 0 "[ . 1 . 2]" 1
131 1 45 GLU H 1 45 GLU QB 2.284 . 2.936 2.233 2.126 2.274 . 0 0 "[ . 1 . 2]" 1
132 1 59 GLU H 1 59 GLU QB 2.365 . 3.064 2.309 2.140 2.457 . 0 0 "[ . 1 . 2]" 1
133 1 26 TYR HB3 1 74 THR H 3.300 . 4.661 3.071 2.902 3.460 . 0 0 "[ . 1 . 2]" 1
134 1 82 LYS HB3 1 83 GLU H 2.190 . 2.790 2.421 2.306 2.661 . 0 0 "[ . 1 . 2]" 1
135 1 55 LEU H 1 55 LEU QB 2.533 . 3.335 2.762 2.721 2.800 . 0 0 "[ . 1 . 2]" 1
136 1 60 LEU HB3 1 61 GLY H 3.072 . 4.252 3.952 3.817 4.022 . 0 0 "[ . 1 . 2]" 1
137 1 75 LEU MD1 1 76 LEU H 2.754 . 3.702 3.770 3.721 3.819 0.117 12 0 "[ . 1 . 2]" 1
138 1 77 LEU H 1 77 LEU HG 2.677 . 3.573 3.877 3.622 4.052 0.479 4 0 "[ . 1 . 2]" 1
139 1 56 ASP QB 1 57 VAL H 3.111 . 4.321 3.335 2.964 3.632 . 0 0 "[ . 1 . 2]" 1
140 1 76 LEU H 1 77 LEU H 3.148 . 4.387 3.905 3.838 3.959 . 0 0 "[ . 1 . 2]" 1
141 1 35 MET HA 1 36 ILE H 2.616 . 3.471 2.734 2.726 2.747 . 0 0 "[ . 1 . 2]" 1
142 1 36 ILE H 1 36 ILE QG 2.770 . 3.729 3.720 3.651 3.766 0.037 12 0 "[ . 1 . 2]" 1
143 1 77 LEU MD2 1 99 ILE H 2.680 . 3.578 3.130 2.834 3.245 . 0 0 "[ . 1 . 2]" 1
144 1 23 VAL H 1 75 LEU HB3 3.051 . 4.215 4.279 4.218 4.340 0.125 15 0 "[ . 1 . 2]" 1
145 1 22 VAL HB 1 23 VAL H 3.583 . 5.188 3.848 3.472 4.029 . 0 0 "[ . 1 . 2]" 1
146 1 1 MET QG 1 2 VAL H 3.503 . 5.037 3.060 2.431 3.970 . 0 0 "[ . 1 . 2]" 1
147 1 6 LYS H 1 10 GLU QB 3.257 . 4.583 2.616 2.171 3.131 . 0 0 "[ . 1 . 2]" 1
148 1 6 LYS H 1 6 LYS QG 2.476 . 3.242 2.457 2.232 2.660 . 0 0 "[ . 1 . 2]" 1
149 1 6 LYS QG 1 7 THR H 2.705 . 3.620 3.343 2.588 3.861 0.241 4 0 "[ . 1 . 2]" 1
150 1 7 THR H 1 8 ALA H 3.455 . 4.947 3.860 3.770 3.959 . 0 0 "[ . 1 . 2]" 1
151 1 10 GLU H 1 11 PHE QB 3.464 . 4.964 4.628 4.540 4.688 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLU QG 1 11 PHE H 3.121 . 4.339 3.977 3.856 4.112 . 0 0 "[ . 1 . 2]" 1
153 1 13 SER H 1 13 SER QB 2.201 . 2.700 2.317 2.241 2.488 . 0 0 "[ . 1 . 2]" 1
154 1 11 PHE H 1 13 SER H 3.200 . 4.480 3.858 3.768 3.938 . 0 0 "[ . 1 . 2]" 1
155 1 11 PHE H 1 14 ALA H 3.060 . 4.230 3.931 3.863 3.978 . 0 0 "[ . 1 . 2]" 1
156 1 13 SER HA 1 15 ILE H 2.926 . 3.996 3.320 3.192 3.368 . 0 0 "[ . 1 . 2]" 1
157 1 13 SER HA 1 16 ALA H 2.423 . 3.157 2.732 2.699 2.764 . 0 0 "[ . 1 . 2]" 1
158 1 15 ILE H 1 16 ALA H 2.180 . 2.774 2.380 2.257 2.460 . 0 0 "[ . 1 . 2]" 1
159 1 17 GLN H 1 18 ASP H 3.106 . 4.312 3.755 3.584 3.905 . 0 0 "[ . 1 . 2]" 1
160 1 17 GLN QB 1 18 ASP H 3.043 . 4.201 2.938 2.347 3.477 . 0 0 "[ . 1 . 2]" 1
161 1 17 GLN QG 1 19 LYS H 3.327 . 4.711 4.066 1.925 4.900 0.189 14 0 "[ . 1 . 2]" 1
162 1 26 TYR H 1 55 LEU HB3 3.457 . 4.951 4.358 4.250 4.485 . 0 0 "[ . 1 . 2]" 1
163 1 29 TRP HD1 1 30 CYS H 3.359 . 4.769 4.402 4.257 4.536 . 0 0 "[ . 1 . 2]" 1
164 1 33 CYS HA 1 36 ILE H 3.203 . 4.486 3.252 3.099 3.326 . 0 0 "[ . 1 . 2]" 1
165 1 35 MET HA 1 37 ALA H 3.052 . 4.216 3.290 3.231 3.330 . 0 0 "[ . 1 . 2]" 1
166 1 36 ILE HA 1 39 MET H 2.759 . 3.711 3.222 3.164 3.279 . 0 0 "[ . 1 . 2]" 1
167 1 42 LYS H 1 44 SER H 2.760 . 3.712 3.605 3.476 3.713 0.001 9 0 "[ . 1 . 2]" 1
168 1 46 GLN H 1 47 TYR QB 3.484 . 5.001 5.123 5.077 5.153 0.152 7 0 "[ . 1 . 2]" 1
169 1 43 PHE HA 1 47 TYR H 2.918 . 3.982 3.867 3.806 3.919 . 0 0 "[ . 1 . 2]" 1
170 1 2 VAL MG1 1 52 PHE H 3.409 . 4.862 3.697 3.556 3.846 . 0 0 "[ . 1 . 2]" 1
171 1 35 MET H 1 36 ILE H 2.486 . 3.259 2.085 2.029 2.187 . 0 0 "[ . 1 . 2]" 1
172 1 49 GLN QB 1 50 ALA H 2.737 . 3.674 3.400 2.881 3.757 0.083 5 0 "[ . 1 . 2]" 1
173 1 51 ASP HB3 1 52 PHE H 2.765 . 3.721 2.960 2.798 3.144 . 0 0 "[ . 1 . 2]" 1
174 1 23 VAL QG 1 53 TYR H 3.364 . 4.778 3.758 3.517 3.949 . 0 0 "[ . 1 . 2]" 1
175 1 55 LEU QB 1 56 ASP H 2.965 . 4.064 3.554 3.487 3.643 . 0 0 "[ . 1 . 2]" 1
176 1 82 LYS H 1 82 LYS QG 2.820 . 3.814 2.579 2.248 3.018 . 0 0 "[ . 1 . 2]" 1
177 1 56 ASP QB 1 60 LEU H 3.518 . 5.065 3.971 3.592 4.191 . 0 0 "[ . 1 . 2]" 1
178 1 59 GLU QB 1 60 LEU H 2.497 . 3.277 2.593 2.496 2.667 . 0 0 "[ . 1 . 2]" 1
179 1 66 LYS H 1 66 LYS QG 2.495 . 3.273 3.548 3.150 3.751 0.478 6 0 "[ . 1 . 2]" 1
180 1 64 ALA MB 1 67 ASN H 3.034 . 4.184 3.980 3.622 4.185 0.001 6 0 "[ . 1 . 2]" 1
181 1 66 LYS QB 1 67 ASN H 2.801 . 3.782 3.230 3.018 3.446 . 0 0 "[ . 1 . 2]" 1
182 1 64 ALA MB 1 68 GLU H 3.185 . 4.453 4.545 4.427 4.610 0.157 10 0 "[ . 1 . 2]" 1
183 1 67 ASN HB3 1 69 VAL H 2.850 . 3.865 3.508 3.354 3.625 . 0 0 "[ . 1 . 2]" 1
184 1 33 CYS HB3 1 34 LYS H 3.442 . 4.923 2.777 2.460 3.341 . 0 0 "[ . 1 . 2]" 1
185 1 79 LYS QB 1 81 GLY H 3.728 . 5.466 5.300 5.100 5.473 0.007 14 0 "[ . 1 . 2]" 1
186 1 57 VAL HA 1 59 GLU H 3.005 . 4.134 3.130 3.028 3.227 . 0 0 "[ . 1 . 2]" 1
187 1 83 GLU QG 1 84 VAL H 2.709 . 3.626 1.816 1.796 1.851 . 0 0 "[ . 1 . 2]" 1
188 1 77 LEU QB 1 84 VAL H 3.153 . 4.396 3.337 3.274 3.397 . 0 0 "[ . 1 . 2]" 1
189 1 76 LEU QD 1 84 VAL H 2.687 . 3.590 3.356 3.227 3.439 . 0 0 "[ . 1 . 2]" 1
190 1 77 LEU HB2 1 85 ALA H 2.356 . 3.050 2.314 2.250 2.400 . 0 0 "[ . 1 . 2]" 1
191 1 84 VAL HA 1 85 ALA H 2.395 . 3.112 2.716 2.695 2.741 . 0 0 "[ . 1 . 2]" 1
192 1 88 VAL HA 1 89 GLY H 2.106 . 2.660 2.431 2.355 2.483 . 0 0 "[ . 1 . 2]" 1
193 1 91 ASN H 1 91 ASN QB 2.651 . 3.530 2.417 2.370 2.470 . 0 0 "[ . 1 . 2]" 1
194 1 36 ILE MD 1 91 ASN H 2.616 . 3.471 3.255 3.192 3.320 . 0 0 "[ . 1 . 2]" 1
195 1 42 LYS H 1 42 LYS HA 2.453 . 3.205 2.527 2.511 2.550 . 0 0 "[ . 1 . 2]" 1
196 1 97 GLN QB 1 98 ALA H 2.393 . 3.109 2.825 2.681 2.994 . 0 0 "[ . 1 . 2]" 1
197 1 99 ILE QG 1 100 ALA H 3.114 . 4.326 3.328 3.215 3.434 . 0 0 "[ . 1 . 2]" 1
198 1 100 ALA H 1 102 ASN H 3.231 . 4.536 3.829 3.712 3.936 . 0 0 "[ . 1 . 2]" 1
199 1 102 ASN H 1 102 ASN HB2 3.203 . 4.486 2.259 2.002 2.996 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLN HE21 1 19 LYS QG 2.822 . 3.818 3.257 2.708 3.866 0.048 5 0 "[ . 1 . 2]" 1
201 1 17 GLN HE21 1 51 ASP HB2 2.391 . 3.105 2.900 2.504 3.210 0.105 18 0 "[ . 1 . 2]" 1
202 1 17 GLN HE22 1 51 ASP HB2 2.698 . 3.608 2.831 2.009 3.416 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLN HE22 1 19 LYS QG 3.102 . 4.305 3.738 3.356 4.069 . 0 0 "[ . 1 . 2]" 1
204 1 34 LYS H 1 34 LYS QB 2.643 . 3.516 2.460 2.225 2.638 . 0 0 "[ . 1 . 2]" 1
205 1 64 ALA MB 1 69 VAL H 2.957 . 4.050 3.068 3.026 3.097 . 0 0 "[ . 1 . 2]" 1
206 1 91 ASN QB 1 91 ASN HD21 3.167 . 4.421 2.801 2.775 2.830 . 0 0 "[ . 1 . 2]" 1
207 1 64 ALA MB 1 67 ASN QD 3.508 . 5.046 3.244 2.819 3.449 . 0 0 "[ . 1 . 2]" 1
208 1 5 PHE HB3 1 5 PHE QD 2.478 . 3.246 2.756 2.743 2.764 . 0 0 "[ . 1 . 2]" 1
209 1 5 PHE HB2 1 5 PHE QD 2.387 . 3.099 2.331 2.305 2.389 . 0 0 "[ . 1 . 2]" 1
210 1 5 PHE QD 1 55 LEU HB2 2.376 . 3.081 2.580 2.134 3.089 0.008 14 0 "[ . 1 . 2]" 1
211 1 5 PHE QD 1 55 LEU MD1 2.368 . 3.069 2.823 2.403 3.106 0.037 16 0 "[ . 1 . 2]" 1
212 1 5 PHE QE 1 53 TYR HB2 2.615 . 3.470 3.229 2.953 3.382 . 0 0 "[ . 1 . 2]" 1
213 1 11 PHE HB3 1 11 PHE QD 2.277 . 2.925 2.513 2.471 2.548 . 0 0 "[ . 1 . 2]" 1
214 1 11 PHE QD 1 15 ILE HG12 2.444 . 3.191 2.489 2.333 2.606 . 0 0 "[ . 1 . 2]" 1
215 1 11 PHE QE 1 15 ILE HG12 2.564 . 3.386 3.438 3.408 3.483 0.097 6 0 "[ . 1 . 2]" 1
216 1 26 TYR H 1 26 TYR QD 2.465 . 3.225 3.052 2.840 3.280 0.055 6 0 "[ . 1 . 2]" 1
217 1 24 ALA MB 1 26 TYR QE 2.176 . 2.768 2.665 2.199 2.804 0.036 3 0 "[ . 1 . 2]" 1
218 1 29 TRP H 1 29 TRP HD1 2.367 . 3.067 2.815 2.721 2.951 . 0 0 "[ . 1 . 2]" 1
219 1 29 TRP HD1 1 58 ASP HA 2.641 . 3.513 3.425 2.611 3.657 0.144 6 0 "[ . 1 . 2]" 1
220 1 29 TRP HB3 1 29 TRP HD1 2.526 . 3.324 2.596 2.576 2.623 . 0 0 "[ . 1 . 2]" 1
221 1 43 PHE QB 1 43 PHE QD 2.773 . 3.701 2.190 2.122 2.282 . 0 0 "[ . 1 . 2]" 1
222 1 43 PHE QD 1 75 LEU MD2 2.809 . 3.795 3.677 3.369 3.889 0.094 12 0 "[ . 1 . 2]" 1
223 1 47 TYR HA 1 47 TYR QD 2.722 . 3.648 3.713 3.693 3.736 0.088 11 0 "[ . 1 . 2]" 1
224 1 47 TYR QD 1 50 ALA MB 2.624 . 3.484 2.568 2.325 2.777 . 0 0 "[ . 1 . 2]" 1
225 1 47 TYR QE 1 96 LYS QB 2.739 . 3.677 3.068 2.342 3.625 . 0 0 "[ . 1 . 2]" 1
226 1 47 TYR QE 1 50 ALA MB 2.481 . 3.251 3.150 2.708 3.311 0.060 17 0 "[ . 1 . 2]" 1
227 1 53 TYR HB2 1 53 TYR QD 2.217 . 2.832 2.342 2.314 2.389 . 0 0 "[ . 1 . 2]" 1
228 1 14 ALA MB 1 53 TYR QD 2.321 . 2.994 2.770 2.617 2.956 . 0 0 "[ . 1 . 2]" 1
229 1 21 VAL QG 1 53 TYR QD 2.407 . 3.131 2.333 1.913 2.502 . 0 0 "[ . 1 . 2]" 1
230 1 51 ASP HB2 1 53 TYR QE 2.295 . 2.953 3.098 3.040 3.206 0.253 8 0 "[ . 1 . 2]" 1
231 1 21 VAL QG 1 53 TYR QE 2.359 . 3.055 2.787 2.458 3.051 . 0 0 "[ . 1 . 2]" 1
232 1 14 ALA MB 1 53 TYR QE 2.200 . 2.805 2.529 2.399 2.706 . 0 0 "[ . 1 . 2]" 1
233 1 26 TYR QE 1 54 LYS QB 2.552 . 3.366 2.154 1.850 2.605 . 0 0 "[ . 1 . 2]" 1
234 1 8 ALA HA 1 8 ALA MB 1.705 . 2.068 2.121 2.117 2.125 0.057 15 0 "[ . 1 . 2]" 1
235 1 14 ALA HA 1 14 ALA MB 1.906 . 2.360 2.130 2.125 2.136 . 0 0 "[ . 1 . 2]" 1
236 1 14 ALA H 1 14 ALA HA 2.131 . 2.699 2.816 2.801 2.849 0.150 19 0 "[ . 1 . 2]" 1
237 1 16 ALA HA 1 16 ALA MB 1.885 . 2.329 2.123 2.118 2.129 . 0 0 "[ . 1 . 2]" 1
238 1 16 ALA H 1 16 ALA HA 2.339 . 3.023 2.857 2.833 2.884 . 0 0 "[ . 1 . 2]" 1
239 1 16 ALA HA 1 17 GLN H 2.401 . 3.121 3.185 3.111 3.241 0.120 7 0 "[ . 1 . 2]" 1
240 1 16 ALA HA 1 81 GLY H 2.317 . 2.988 2.757 2.474 2.984 . 0 0 "[ . 1 . 2]" 1
241 1 24 ALA HA 1 24 ALA MB 2.132 . 2.700 2.136 2.117 2.150 . 0 0 "[ . 1 . 2]" 1
242 1 24 ALA HA 1 25 PHE H 2.022 . 2.533 2.280 2.242 2.315 . 0 0 "[ . 1 . 2]" 1
243 1 24 ALA H 1 24 ALA HA 2.689 . 3.593 2.938 2.901 2.960 . 0 0 "[ . 1 . 2]" 1
244 1 24 ALA H 1 24 ALA MB 2.351 . 3.042 2.275 2.185 2.344 . 0 0 "[ . 1 . 2]" 1
245 1 27 ALA HA 1 27 ALA MB 2.216 . 2.830 2.128 2.122 2.132 . 0 0 "[ . 1 . 2]" 1
246 1 27 ALA HA 1 57 VAL QG 2.569 . 3.394 2.811 2.286 3.408 0.014 2 0 "[ . 1 . 2]" 1
247 1 27 ALA HA 1 28 THR H 2.263 . 2.903 2.170 2.134 2.218 . 0 0 "[ . 1 . 2]" 1
248 1 27 ALA H 1 27 ALA MB 2.608 . 3.458 2.515 2.416 2.620 . 0 0 "[ . 1 . 2]" 1
249 1 27 ALA MB 1 30 CYS HB2 2.577 . 3.407 2.287 1.901 3.605 0.198 8 0 "[ . 1 . 2]" 1
250 1 27 ALA MB 1 30 CYS HB3 2.661 . 3.546 2.741 2.177 3.609 0.063 14 0 "[ . 1 . 2]" 1
251 1 27 ALA MB 1 57 VAL QG 2.326 . 3.002 2.101 1.763 2.875 . 0 0 "[ . 1 . 2]" 1
252 1 37 ALA HA 1 37 ALA MB 2.006 . 2.509 2.115 2.109 2.122 . 0 0 "[ . 1 . 2]" 1
253 1 37 ALA H 1 37 ALA MB 2.247 . 2.878 2.233 2.200 2.259 . 0 0 "[ . 1 . 2]" 1
254 1 50 ALA HA 1 50 ALA MB 1.911 . 2.367 2.133 2.127 2.141 . 0 0 "[ . 1 . 2]" 1
255 1 64 ALA HA 1 64 ALA MB 1.941 . 2.412 2.127 2.123 2.132 . 0 0 "[ . 1 . 2]" 1
256 1 64 ALA HA 1 69 VAL QG 2.413 . 3.141 1.933 1.866 2.011 . 0 0 "[ . 1 . 2]" 1
257 1 64 ALA H 1 64 ALA HA 2.253 . 2.887 2.752 2.721 2.782 . 0 0 "[ . 1 . 2]" 1
258 1 90 ALA HA 1 90 ALA MB 2.032 . 2.548 2.115 2.107 2.121 . 0 0 "[ . 1 . 2]" 1
259 1 75 LEU MD1 1 90 ALA HA 2.294 . 2.952 2.516 2.228 2.694 . 0 0 "[ . 1 . 2]" 1
260 1 93 ALA HA 1 93 ALA MB 1.816 . 2.228 2.125 2.123 2.129 . 0 0 "[ . 1 . 2]" 1
261 1 93 ALA HA 1 96 LYS QB 2.181 . 2.776 2.747 2.474 2.899 0.123 10 0 "[ . 1 . 2]" 1
262 1 91 ASN HB3 1 94 ALA MB 2.334 . 3.015 1.973 1.829 2.071 . 0 0 "[ . 1 . 2]" 1
263 1 91 ASN HB2 1 94 ALA MB 2.546 . 3.356 3.358 3.231 3.432 0.076 13 0 "[ . 1 . 2]" 1
264 1 94 ALA H 1 94 ALA HA 2.266 . 2.908 2.829 2.798 2.866 . 0 0 "[ . 1 . 2]" 1
265 1 101 ALA H 1 101 ALA HA 2.234 . 2.858 2.877 2.848 2.913 0.055 4 0 "[ . 1 . 2]" 1
266 1 98 ALA HA 1 98 ALA MB 1.666 . 2.013 2.120 2.118 2.123 0.110 14 0 "[ . 1 . 2]" 1
267 1 98 ALA MB 1 99 ILE H 2.324 . 2.999 2.229 2.116 2.333 . 0 0 "[ . 1 . 2]" 1
268 1 98 ALA H 1 98 ALA MB 2.020 . 2.530 2.248 2.227 2.278 . 0 0 "[ . 1 . 2]" 1
269 1 8 ALA HA 1 63 VAL MG2 2.047 . 2.571 2.589 2.155 2.658 0.087 20 0 "[ . 1 . 2]" 1
270 1 101 ALA MB 1 102 ASN H 2.256 . 2.892 2.613 2.476 2.821 . 0 0 "[ . 1 . 2]" 1
271 1 5 PHE HA 1 5 PHE HB3 2.493 . 3.270 2.570 2.529 2.636 . 0 0 "[ . 1 . 2]" 1
272 1 5 PHE HA 1 5 PHE HB2 2.843 . 3.853 3.011 2.986 3.025 . 0 0 "[ . 1 . 2]" 1
273 1 5 PHE HB2 1 55 LEU MD1 2.756 . 3.706 2.086 1.912 2.381 . 0 0 "[ . 1 . 2]" 1
274 1 5 PHE HB3 1 55 LEU MD1 2.606 . 3.455 2.291 2.081 2.454 . 0 0 "[ . 1 . 2]" 1
275 1 11 PHE H 1 11 PHE HA 2.181 . 2.775 2.801 2.792 2.816 0.041 1 0 "[ . 1 . 2]" 1
276 1 11 PHE HA 1 12 ASP H 2.594 . 3.435 3.538 3.517 3.554 0.119 17 0 "[ . 1 . 2]" 1
277 1 5 PHE HZ 1 11 PHE HA 2.662 . 3.548 2.797 2.597 3.042 . 0 0 "[ . 1 . 2]" 1
278 1 25 PHE HA 1 25 PHE HB2 2.558 . 3.376 2.902 2.732 3.004 . 0 0 "[ . 1 . 2]" 1
279 1 25 PHE HA 1 25 PHE HB3 2.841 . 3.850 2.741 2.385 2.934 . 0 0 "[ . 1 . 2]" 1
280 1 43 PHE H 1 43 PHE QB 2.986 . 3.925 2.487 2.358 2.574 . 0 0 "[ . 1 . 2]" 1
281 1 52 PHE HA 1 52 PHE HB2 2.501 . 3.283 2.666 2.634 2.704 . 0 0 "[ . 1 . 2]" 1
282 1 52 PHE HA 1 52 PHE HB3 2.749 . 3.694 2.293 2.276 2.308 . 0 0 "[ . 1 . 2]" 1
283 1 78 PHE HB3 1 79 LYS H 2.882 . 3.920 2.779 2.643 3.007 . 0 0 "[ . 1 . 2]" 1
284 1 44 SER QB 1 48 PRO HA 3.183 . 4.450 2.101 2.003 2.331 . 0 0 "[ . 1 . 2]" 1
285 1 44 SER QB 1 47 TYR QD 3.109 . 4.317 4.008 3.664 4.357 0.040 12 0 "[ . 1 . 2]" 1
286 1 44 SER H 1 44 SER QB 2.931 . 3.503 2.654 2.549 2.983 . 0 0 "[ . 1 . 2]" 1
287 1 70 SER HA 1 70 SER HB3 2.438 . 3.181 2.636 2.347 3.031 . 0 0 "[ . 1 . 2]" 1
288 1 28 THR HA 1 28 THR MG 2.197 . 2.801 2.196 2.116 2.249 . 0 0 "[ . 1 . 2]" 1
289 1 28 THR H 1 28 THR HA 2.551 . 3.364 2.813 2.767 2.839 . 0 0 "[ . 1 . 2]" 1
290 1 26 TYR HA 1 26 TYR HB2 2.215 . 2.828 2.510 2.472 2.552 . 0 0 "[ . 1 . 2]" 1
291 1 26 TYR H 1 26 TYR HB2 3.205 . 4.489 3.874 3.778 3.966 . 0 0 "[ . 1 . 2]" 1
292 1 8 ALA HA 1 11 PHE HB2 2.945 . 4.029 2.817 2.636 2.993 . 0 0 "[ . 1 . 2]" 1
293 1 11 PHE QD 1 12 ASP HA 2.440 . 3.184 2.782 2.598 2.990 . 0 0 "[ . 1 . 2]" 1
294 1 12 ASP H 1 12 ASP HA 2.235 . 2.859 2.804 2.783 2.826 . 0 0 "[ . 1 . 2]" 1
295 1 9 SER HA 1 12 ASP QB 2.870 . 3.899 2.865 2.601 3.170 . 0 0 "[ . 1 . 2]" 1
296 1 62 ASP HA 1 62 ASP HB3 2.303 . 2.966 2.704 2.429 3.020 0.054 13 0 "[ . 1 . 2]" 1
297 1 62 ASP H 1 62 ASP HB3 3.020 . 4.160 2.824 2.371 3.619 . 0 0 "[ . 1 . 2]" 1
298 1 51 ASP HA 1 51 ASP HB3 2.664 . 3.551 2.717 2.478 2.892 . 0 0 "[ . 1 . 2]" 1
299 1 51 ASP HA 1 51 ASP HB2 2.610 . 3.461 2.919 2.798 3.022 . 0 0 "[ . 1 . 2]" 1
300 1 56 ASP HA 1 56 ASP QB 2.612 . 3.465 2.304 2.168 2.529 . 0 0 "[ . 1 . 2]" 1
301 1 56 ASP QB 1 60 LEU H 3.315 . 4.689 4.220 3.670 4.634 . 0 0 "[ . 1 . 2]" 1
302 1 56 ASP H 1 56 ASP QB 2.385 . 3.096 2.462 2.251 2.904 . 0 0 "[ . 1 . 2]" 1
303 1 62 ASP HA 1 62 ASP HB2 2.081 . 2.623 2.600 2.375 3.019 0.396 16 0 "[ . 1 . 2]" 1
304 1 62 ASP HA 1 63 VAL H 2.549 . 3.361 3.449 3.410 3.482 0.121 4 0 "[ . 1 . 2]" 1
305 1 62 ASP HA 1 65 GLN H 2.541 . 3.348 3.293 3.111 3.404 0.056 3 0 "[ . 1 . 2]" 1
306 1 62 ASP H 1 62 ASP HA 2.708 . 3.625 2.827 2.787 2.849 . 0 0 "[ . 1 . 2]" 1
307 1 91 ASN H 1 91 ASN HB2 2.668 . 3.558 2.537 2.445 2.648 . 0 0 "[ . 1 . 2]" 1
308 1 18 ASP HA 1 80 ASN QB 2.029 . 2.544 2.388 1.924 2.627 0.083 14 0 "[ . 1 . 2]" 1
309 1 29 TRP HA 1 29 TRP HB2 2.081 . 2.622 2.476 2.435 2.519 . 0 0 "[ . 1 . 2]" 1
310 1 67 ASN HA 1 67 ASN HB3 2.463 . 3.221 2.350 2.317 2.409 . 0 0 "[ . 1 . 2]" 1
311 1 67 ASN H 1 67 ASN HB3 2.631 . 3.496 3.569 3.120 3.682 0.186 5 0 "[ . 1 . 2]" 1
312 1 58 ASP HB3 1 59 GLU H 2.591 . 3.430 2.640 2.295 2.960 . 0 0 "[ . 1 . 2]" 1
313 1 67 ASN HB3 1 76 LEU QD 3.107 . 4.314 2.270 1.928 3.054 . 0 0 "[ . 1 . 2]" 1
314 1 80 ASN HA 1 80 ASN QB 2.148 . 2.725 2.216 2.155 2.349 . 0 0 "[ . 1 . 2]" 1
315 1 91 ASN HA 1 91 ASN HB3 2.304 . 2.968 2.930 2.877 2.976 0.008 20 0 "[ . 1 . 2]" 1
316 1 91 ASN HA 1 91 ASN HB2 2.681 . 3.580 2.748 2.686 2.822 . 0 0 "[ . 1 . 2]" 1
317 1 75 LEU MD1 1 91 ASN HB2 3.250 . 4.570 4.774 4.698 4.861 0.291 4 0 "[ . 1 . 2]" 1
318 1 102 ASN HA 1 102 ASN HB2 2.289 . 2.944 2.918 2.619 3.017 0.073 11 0 "[ . 1 . 2]" 1
319 1 84 VAL MG2 1 102 ASN HB2 2.555 . 3.371 2.887 2.183 3.233 . 0 0 "[ . 1 . 2]" 1
320 1 102 ASN HB2 1 102 ASN QD 2.839 . 3.846 2.402 2.114 3.216 . 0 0 "[ . 1 . 2]" 1
321 1 84 VAL MG1 1 102 ASN HA 2.750 . 3.695 3.743 3.697 3.808 0.113 1 0 "[ . 1 . 2]" 1
322 1 102 ASN HA 1 102 ASN HB3 2.468 . 3.229 2.419 2.263 2.488 . 0 0 "[ . 1 . 2]" 1
323 1 4 GLN HA 1 5 PHE H 2.069 . 2.604 2.177 2.147 2.209 . 0 0 "[ . 1 . 2]" 1
324 1 45 GLU H 1 45 GLU HB3 2.598 . 3.442 2.606 2.477 2.901 . 0 0 "[ . 1 . 2]" 1
325 1 4 GLN H 1 4 GLN HB3 2.844 . 3.855 2.647 2.410 3.493 . 0 0 "[ . 1 . 2]" 1
326 1 4 GLN H 1 4 GLN HB2 2.846 . 3.858 2.556 2.151 2.715 . 0 0 "[ . 1 . 2]" 1
327 1 4 GLN HA 1 4 GLN HB3 2.953 . 4.043 2.962 2.599 3.025 . 0 0 "[ . 1 . 2]" 1
328 1 17 GLN HA 1 17 GLN QB 2.368 . 3.069 2.346 2.157 2.430 . 0 0 "[ . 1 . 2]" 1
329 1 17 GLN HA 1 18 ASP H 2.186 . 2.784 2.262 2.207 2.422 . 0 0 "[ . 1 . 2]" 1
330 1 46 GLN H 1 46 GLN HG2 2.615 . 3.470 3.057 1.956 4.372 0.902 15 2 "[ . - + 2]" 1
331 1 26 TYR HB3 1 73 PRO HB3 2.035 . 2.552 2.251 2.000 2.526 . 0 0 "[ . 1 . 2]" 1
332 1 46 GLN H 1 46 GLN HB2 2.367 . 3.067 2.521 2.371 3.107 0.040 15 0 "[ . 1 . 2]" 1
333 1 33 CYS HA 1 73 PRO HB3 2.584 . 3.419 2.315 2.009 2.950 . 0 0 "[ . 1 . 2]" 1
334 1 49 GLN HA 1 50 ALA H 2.569 . 3.394 3.391 3.297 3.452 0.058 15 0 "[ . 1 . 2]" 1
335 1 49 GLN H 1 49 GLN HA 2.334 . 3.015 2.806 2.786 2.879 . 0 0 "[ . 1 . 2]" 1
336 1 49 GLN HA 1 49 GLN HB3 2.488 . 3.262 2.641 2.292 3.025 . 0 0 "[ . 1 . 2]" 1
337 1 49 GLN HA 1 49 GLN HB2 2.531 . 3.331 2.449 2.258 2.552 . 0 0 "[ . 1 . 2]" 1
338 1 84 VAL HA 1 84 VAL HB 2.028 . 2.542 2.613 2.587 2.647 0.105 18 0 "[ . 1 . 2]" 1
339 1 66 LYS H 1 66 LYS HA 2.108 . 2.664 2.791 2.763 2.824 0.160 19 0 "[ . 1 . 2]" 1
340 1 65 GLN H 1 65 GLN HA 2.390 . 3.104 2.867 2.847 2.904 . 0 0 "[ . 1 . 2]" 1
341 1 10 GLU HA 1 10 GLU QG 1.912 . 2.369 2.344 2.224 2.548 0.179 6 0 "[ . 1 . 2]" 1
342 1 97 GLN H 1 97 GLN HB3 2.453 . 3.205 2.638 2.404 3.593 0.388 19 0 "[ . 1 . 2]" 1
343 1 5 PHE QD 1 10 GLU HB3 2.873 . 3.905 2.028 1.919 2.198 . 0 0 "[ . 1 . 2]" 1
344 1 10 GLU H 1 10 GLU QG 2.677 . 3.573 2.899 2.422 3.361 . 0 0 "[ . 1 . 2]" 1
345 1 1 MET HA 1 41 GLU QG 2.432 . 3.171 2.878 2.390 3.142 . 0 0 "[ . 1 . 2]" 1
346 1 40 ILE H 1 40 ILE HB 2.359 . 3.054 2.053 1.969 2.114 . 0 0 "[ . 1 . 2]" 1
347 1 45 GLU H 1 45 GLU HA 2.354 . 3.047 2.803 2.773 2.825 . 0 0 "[ . 1 . 2]" 1
348 1 46 GLN HB2 1 47 TYR QD 2.807 . 3.792 2.895 2.423 4.510 0.718 15 1 "[ . 1 + 2]" 1
349 1 45 GLU HA 1 45 GLU HG2 2.397 . 3.115 3.162 2.341 3.802 0.687 10 5 "[ *. +* * - 2]" 1
350 1 59 GLU H 1 59 GLU HA 2.304 . 2.968 2.895 2.872 2.926 . 0 0 "[ . 1 . 2]" 1
351 1 59 GLU HA 1 59 GLU HB2 2.628 . 3.491 2.722 2.465 3.020 . 0 0 "[ . 1 . 2]" 1
352 1 35 MET H 1 73 PRO HG3 2.694 . 3.601 3.836 3.705 4.237 0.636 3 1 "[ + . 1 . 2]" 1
353 1 59 GLU H 1 59 GLU HB3 2.390 . 3.104 2.997 2.461 3.631 0.527 13 4 "[ *. 1 + * -2]" 1
354 1 68 GLU HA 1 68 GLU QB 1.929 . 2.394 2.375 2.349 2.403 0.009 2 0 "[ . 1 . 2]" 1
355 1 68 GLU H 1 68 GLU HA 1.881 . 2.323 2.264 2.247 2.273 . 0 0 "[ . 1 . 2]" 1
356 1 68 GLU H 1 68 GLU QB 3.082 . 4.269 3.178 3.052 3.448 . 0 0 "[ . 1 . 2]" 1
357 1 83 GLU HA 1 83 GLU HG3 2.083 . 2.625 2.452 2.420 2.501 . 0 0 "[ . 1 . 2]" 1
358 1 83 GLU HA 1 84 VAL H 2.012 . 2.518 2.506 2.462 2.533 0.015 2 0 "[ . 1 . 2]" 1
359 1 83 GLU H 1 83 GLU HA 2.459 . 3.215 2.841 2.818 2.858 . 0 0 "[ . 1 . 2]" 1
360 1 83 GLU HA 1 83 GLU HB2 2.673 . 3.566 2.554 2.537 2.581 . 0 0 "[ . 1 . 2]" 1
361 1 83 GLU H 1 83 GLU HB2 2.625 . 3.487 2.370 2.291 2.416 . 0 0 "[ . 1 . 2]" 1
362 1 83 GLU H 1 83 GLU HB3 2.693 . 3.600 2.623 2.580 2.711 . 0 0 "[ . 1 . 2]" 1
363 1 83 GLU HG2 1 84 VAL H 3.097 . 4.296 1.860 1.836 1.896 0.062 15 0 "[ . 1 . 2]" 1
364 1 83 GLU HG3 1 84 VAL H 3.085 . 4.275 2.547 2.461 2.658 . 0 0 "[ . 1 . 2]" 1
365 1 20 LEU HA 1 20 LEU HB3 2.954 . 4.045 3.013 3.005 3.019 . 0 0 "[ . 1 . 2]" 1
366 1 20 LEU HA 1 20 LEU HB2 2.805 . 3.788 2.560 2.537 2.581 . 0 0 "[ . 1 . 2]" 1
367 1 20 LEU HB3 1 20 LEU MD1 3.035 . 4.186 2.307 2.259 2.347 . 0 0 "[ . 1 . 2]" 1
368 1 20 LEU HB2 1 20 LEU MD2 2.492 . 3.268 2.416 2.335 2.498 . 0 0 "[ . 1 . 2]" 1
369 1 20 LEU HB3 1 99 ILE MG 2.614 . 3.468 3.423 3.153 3.554 0.086 14 0 "[ . 1 . 2]" 1
370 1 55 LEU MD2 1 60 LEU HB2 2.261 . 2.900 1.859 1.778 2.037 . 0 0 "[ . 1 . 2]" 1
371 1 20 LEU MD2 1 102 ASN HB3 2.263 . 2.903 2.557 2.213 3.303 0.400 20 0 "[ . 1 . 2]" 1
372 1 20 LEU MD2 1 102 ASN HB2 2.281 . 2.931 2.080 1.812 2.258 . 0 0 "[ . 1 . 2]" 1
373 1 20 LEU HA 1 20 LEU MD2 1.983 . 2.475 1.948 1.875 2.083 . 0 0 "[ . 1 . 2]" 1
374 1 20 LEU MD2 1 84 VAL MG2 1.758 . 2.144 1.823 1.750 1.933 . 0 0 "[ . 1 . 2]" 1
375 1 55 LEU MD2 1 57 VAL H 2.903 . 3.956 3.262 3.069 3.439 . 0 0 "[ . 1 . 2]" 1
376 1 55 LEU HA 1 55 LEU MD2 3.165 . 4.417 3.412 3.272 3.469 . 0 0 "[ . 1 . 2]" 1
377 1 55 LEU HA 1 55 LEU HG 2.939 . 4.018 2.600 2.534 2.655 . 0 0 "[ . 1 . 2]" 1
378 1 60 LEU H 1 60 LEU HB3 3.063 . 4.236 3.733 3.638 3.808 . 0 0 "[ . 1 . 2]" 1
379 1 75 LEU H 1 75 LEU HG 2.766 . 3.722 3.333 3.230 3.486 . 0 0 "[ . 1 . 2]" 1
380 1 75 LEU HA 1 75 LEU HG 2.650 . 3.528 2.547 2.503 2.592 . 0 0 "[ . 1 . 2]" 1
381 1 75 LEU HA 1 75 LEU MD2 2.893 . 3.940 3.418 3.346 3.490 . 0 0 "[ . 1 . 2]" 1
382 1 75 LEU H 1 75 LEU MD2 3.066 . 4.241 4.252 4.186 4.317 0.076 18 0 "[ . 1 . 2]" 1
383 1 76 LEU H 1 76 LEU HA 2.590 . 3.428 2.943 2.936 2.947 . 0 0 "[ . 1 . 2]" 1
384 1 76 LEU HA 1 77 LEU H 2.007 . 2.511 2.098 2.035 2.134 . 0 0 "[ . 1 . 2]" 1
385 1 76 LEU HA 1 76 LEU HB2 2.616 . 3.472 2.869 2.739 2.937 . 0 0 "[ . 1 . 2]" 1
386 1 76 LEU HB3 1 77 LEU H 3.067 . 4.243 3.780 3.610 3.879 . 0 0 "[ . 1 . 2]" 1
387 1 76 LEU HB2 1 76 LEU QD 2.544 . 3.353 2.268 2.239 2.310 . 0 0 "[ . 1 . 2]" 1
388 1 11 PHE QE 1 76 LEU QD 2.271 . 2.916 3.018 2.944 3.103 0.187 19 0 "[ . 1 . 2]" 1
389 1 76 LEU HA 1 76 LEU QD 2.959 . 4.054 2.010 1.923 2.156 . 0 0 "[ . 1 . 2]" 1
390 1 68 GLU QB 1 76 LEU QD 2.340 . 3.025 3.110 2.987 3.236 0.211 17 0 "[ . 1 . 2]" 1
391 1 77 LEU HB2 1 85 ALA H 3.114 . 4.326 2.463 2.381 2.580 . 0 0 "[ . 1 . 2]" 1
392 1 77 LEU MD2 1 102 ASN QD 2.578 . 3.409 1.942 1.761 2.105 0.044 3 0 "[ . 1 . 2]" 1
393 1 77 LEU HA 1 77 LEU MD2 2.942 . 4.024 3.905 3.878 3.920 . 0 0 "[ . 1 . 2]" 1
394 1 77 LEU MD2 1 99 ILE HA 2.251 . 2.884 2.638 2.013 2.927 0.043 10 0 "[ . 1 . 2]" 1
395 1 77 LEU MD2 1 98 ALA HA 3.152 . 4.394 4.279 4.014 4.410 0.016 11 0 "[ . 1 . 2]" 1
396 1 77 LEU MD2 1 102 ASN HB2 2.821 . 3.816 2.810 2.307 3.572 . 0 0 "[ . 1 . 2]" 1
397 1 77 LEU MD2 1 102 ASN HB3 2.534 . 3.337 3.410 3.350 3.479 0.142 20 0 "[ . 1 . 2]" 1
398 1 77 LEU MD2 1 77 LEU HG 2.095 . 2.644 2.119 2.113 2.127 . 0 0 "[ . 1 . 2]" 1
399 1 77 LEU MD2 1 99 ILE MD 2.905 . 3.960 2.126 1.792 3.686 0.058 1 0 "[ . 1 . 2]" 1
400 1 77 LEU HA 1 77 LEU HG 2.559 . 3.378 2.876 2.717 2.990 . 0 0 "[ . 1 . 2]" 1
401 1 77 LEU H 1 77 LEU HG 3.088 . 4.280 4.258 3.984 4.347 0.067 4 0 "[ . 1 . 2]" 1
402 1 77 LEU MD2 1 78 PHE H 3.767 . 5.540 5.080 4.916 5.163 . 0 0 "[ . 1 . 2]" 1
403 1 77 LEU MD2 1 84 VAL H 3.556 . 5.136 5.090 5.013 5.175 0.039 11 0 "[ . 1 . 2]" 1
404 1 77 LEU MD2 1 99 ILE H 2.940 . 4.021 3.381 2.937 3.575 . 0 0 "[ . 1 . 2]" 1
405 1 40 ILE HA 1 43 PHE QD 2.250 . 2.883 2.178 1.799 2.893 0.010 7 0 "[ . 1 . 2]" 1
406 1 15 ILE HA 1 15 ILE HB 2.267 . 2.909 3.005 3.001 3.007 0.098 3 0 "[ . 1 . 2]" 1
407 1 15 ILE MD 1 21 VAL QG 2.315 . 2.985 2.122 1.866 2.452 . 0 0 "[ . 1 . 2]" 1
408 1 15 ILE MD 1 78 PHE HB2 2.590 . 3.428 1.963 1.864 2.192 . 0 0 "[ . 1 . 2]" 1
409 1 15 ILE H 1 15 ILE MD 2.201 . 2.807 2.694 2.500 2.851 0.044 8 0 "[ . 1 . 2]" 1
410 1 15 ILE H 1 15 ILE HB 2.908 . 3.965 2.565 2.525 2.609 . 0 0 "[ . 1 . 2]" 1
411 1 36 ILE HA 1 39 MET ME 2.169 . 2.757 1.853 1.766 2.002 . 0 0 "[ . 1 . 2]" 1
412 1 36 ILE HA 1 36 ILE HB 2.230 . 2.852 2.922 2.900 2.941 0.089 2 0 "[ . 1 . 2]" 1
413 1 36 ILE HB 1 36 ILE MD 2.012 . 2.518 2.466 2.428 2.518 . 0 0 "[ . 1 . 2]" 1
414 1 36 ILE H 1 36 ILE HB 2.369 . 3.071 2.138 2.094 2.175 . 0 0 "[ . 1 . 2]" 1
415 1 36 ILE MD 1 90 ALA HA 2.292 . 2.949 2.762 2.601 3.013 0.064 10 0 "[ . 1 . 2]" 1
416 1 35 MET HB3 1 36 ILE MD 1.980 . 2.470 2.611 2.545 2.672 0.202 15 0 "[ . 1 . 2]" 1
417 1 36 ILE MD 1 36 ILE HG12 2.342 . 3.028 2.117 2.110 2.121 . 0 0 "[ . 1 . 2]" 1
418 1 40 ILE HA 1 40 ILE HB 2.467 . 3.228 2.882 2.826 2.924 . 0 0 "[ . 1 . 2]" 1
419 1 40 ILE HA 1 43 PHE QB 2.454 . 3.206 3.215 3.089 3.276 0.070 18 0 "[ . 1 . 2]" 1
420 1 95 ILE HA 1 95 ILE MG 1.915 . 2.374 2.397 2.327 2.472 0.098 11 0 "[ . 1 . 2]" 1
421 1 95 ILE HB 1 95 ILE MG 2.197 . 2.800 2.126 2.124 2.131 . 0 0 "[ . 1 . 2]" 1
422 1 95 ILE HB 1 96 LYS H 2.490 . 3.265 2.694 2.422 2.903 . 0 0 "[ . 1 . 2]" 1
423 1 95 ILE HA 1 95 ILE HB 2.848 . 3.862 3.016 3.012 3.018 . 0 0 "[ . 1 . 2]" 1
424 1 99 ILE HA 1 99 ILE MD 2.214 . 2.826 2.476 2.187 3.818 0.992 12 3 "[ . 1*+ -. 2]" 1
425 1 99 ILE MD 1 99 ILE QG 1.903 . 2.356 1.874 1.870 1.878 . 0 0 "[ . 1 . 2]" 1
426 1 77 LEU HG 1 99 ILE HA 2.454 . 3.207 3.417 3.320 3.484 0.277 1 0 "[ . 1 . 2]" 1
427 1 99 ILE HA 1 102 ASN QD 2.923 . 3.991 2.731 2.529 2.876 . 0 0 "[ . 1 . 2]" 1
428 1 99 ILE H 1 99 ILE HA 2.474 . 3.239 2.755 2.730 2.773 . 0 0 "[ . 1 . 2]" 1
429 1 43 PHE QB 1 99 ILE HB 2.606 . 3.455 3.573 3.488 3.731 0.276 14 0 "[ . 1 . 2]" 1
430 1 99 ILE HB 1 99 ILE QG 2.288 . 2.942 2.222 2.172 2.494 . 0 0 "[ . 1 . 2]" 1
431 1 38 PRO HA 1 41 GLU H 2.558 . 3.376 3.445 3.408 3.502 0.126 5 0 "[ . 1 . 2]" 1
432 1 38 PRO HA 1 39 MET H 2.856 . 3.876 3.576 3.539 3.608 . 0 0 "[ . 1 . 2]" 1
433 1 38 PRO HA 1 41 GLU QB 1.933 . 2.400 2.415 2.289 2.514 0.114 19 0 "[ . 1 . 2]" 1
434 1 37 ALA MB 1 38 PRO HA 2.853 . 3.870 3.890 3.851 3.914 0.044 13 0 "[ . 1 . 2]" 1
435 1 48 PRO HA 1 48 PRO HB2 2.507 . 3.292 2.691 2.663 2.705 . 0 0 "[ . 1 . 2]" 1
436 1 1 MET HA 1 2 VAL H 2.326 . 3.002 2.260 2.121 2.494 . 0 0 "[ . 1 . 2]" 1
437 1 1 MET HA 1 2 VAL MG2 2.622 . 3.481 3.488 3.290 3.587 0.106 1 0 "[ . 1 . 2]" 1
438 1 2 VAL HA 1 2 VAL HB 2.633 . 3.499 3.018 3.012 3.024 . 0 0 "[ . 1 . 2]" 1
439 1 2 VAL HA 1 52 PHE HB2 2.349 . 3.039 2.030 1.954 2.123 . 0 0 "[ . 1 . 2]" 1
440 1 2 VAL HA 1 2 VAL MG2 2.276 . 2.924 2.320 2.244 2.364 . 0 0 "[ . 1 . 2]" 1
441 1 88 VAL HB 1 88 VAL QG 1.876 . 2.316 1.898 1.889 1.900 . 0 0 "[ . 1 . 2]" 1
442 1 84 VAL HA 1 85 ALA H 2.593 . 3.434 3.488 3.462 3.510 0.076 5 0 "[ . 1 . 2]" 1
443 1 63 VAL HA 1 63 VAL HB 2.751 . 3.697 3.014 3.007 3.021 . 0 0 "[ . 1 . 2]" 1
444 1 25 PHE HB3 1 69 VAL QG 2.218 . 2.833 1.956 1.850 2.117 . 0 0 "[ . 1 . 2]" 1
445 1 67 ASN HB3 1 69 VAL QG 2.539 . 3.345 3.118 2.611 3.651 0.306 13 0 "[ . 1 . 2]" 1
446 1 69 VAL H 1 69 VAL HA 2.513 . 3.303 2.928 2.888 2.940 . 0 0 "[ . 1 . 2]" 1
447 1 69 VAL HA 1 69 VAL QG 2.316 . 2.986 2.488 2.445 2.536 . 0 0 "[ . 1 . 2]" 1
448 1 69 VAL HB 1 74 THR HB 2.595 . 3.437 3.291 3.068 3.474 0.037 6 0 "[ . 1 . 2]" 1
449 1 2 VAL MG1 1 3 THR H 2.308 . 2.974 2.547 2.372 2.686 . 0 0 "[ . 1 . 2]" 1
450 1 2 VAL H 1 2 VAL MG1 2.714 . 3.635 3.746 3.698 3.817 0.182 6 0 "[ . 1 . 2]" 1
451 1 69 VAL QG 1 74 THR HB 2.167 . 2.754 1.904 1.787 2.029 0.041 19 0 "[ . 1 . 2]" 1
452 1 2 VAL HB 1 2 VAL MG1 1.969 . 2.454 2.128 2.123 2.132 . 0 0 "[ . 1 . 2]" 1
453 1 84 VAL HB 1 84 VAL MG2 2.047 . 2.571 2.117 2.113 2.124 . 0 0 "[ . 1 . 2]" 1
454 1 84 VAL HB 1 84 VAL MG1 1.983 . 2.475 2.125 2.122 2.128 . 0 0 "[ . 1 . 2]" 1
455 1 84 VAL H 1 84 VAL HB 2.994 . 4.115 3.817 3.777 3.841 . 0 0 "[ . 1 . 2]" 1
456 1 79 LYS H 1 84 VAL MG1 2.241 . 2.869 2.941 2.879 3.008 0.139 18 0 "[ . 1 . 2]" 1
457 1 88 VAL HA 1 88 VAL HB 2.570 . 3.395 2.528 2.425 3.020 . 0 0 "[ . 1 . 2]" 1
458 1 21 VAL H 1 21 VAL HB 2.554 . 3.369 2.889 2.600 3.214 . 0 0 "[ . 1 . 2]" 1
459 1 22 VAL HB 1 22 VAL QG 1.890 . 2.336 1.892 1.878 1.896 . 0 0 "[ . 1 . 2]" 1
460 1 11 PHE QE 1 23 VAL HB 2.484 . 3.255 3.027 2.635 3.286 0.031 17 0 "[ . 1 . 2]" 1
461 1 23 VAL HA 1 23 VAL HB 2.965 . 4.064 3.015 3.011 3.019 . 0 0 "[ . 1 . 2]" 1
462 1 21 VAL HA 1 21 VAL QG 2.049 . 2.574 2.136 2.096 2.355 . 0 0 "[ . 1 . 2]" 1
463 1 22 VAL H 1 22 VAL HB 2.343 . 3.029 2.748 2.556 3.438 0.409 9 0 "[ . 1 . 2]" 1
464 1 22 VAL QG 1 50 ALA MB 2.025 . 2.537 2.371 1.910 2.606 0.069 1 0 "[ . 1 . 2]" 1
465 1 22 VAL QG 1 77 LEU HG 2.278 . 2.926 2.573 2.076 2.936 0.010 5 0 "[ . 1 . 2]" 1
466 1 21 VAL HA 1 21 VAL HB 2.822 . 3.818 2.919 2.408 3.021 . 0 0 "[ . 1 . 2]" 1
467 1 57 VAL H 1 57 VAL HA 2.584 . 3.418 2.837 2.820 2.861 . 0 0 "[ . 1 . 2]" 1
468 1 57 VAL HA 1 57 VAL QG 2.162 . 2.746 2.346 2.125 2.537 . 0 0 "[ . 1 . 2]" 1
469 1 39 MET H 1 39 MET HA 2.308 . 2.974 2.858 2.840 2.878 . 0 0 "[ . 1 . 2]" 1
470 1 36 ILE MD 1 39 MET HB3 2.923 . 3.991 3.574 3.468 3.646 . 0 0 "[ . 1 . 2]" 1
471 1 39 MET HB3 1 39 MET ME 2.469 . 3.231 1.754 1.694 1.837 0.013 7 0 "[ . 1 . 2]" 1
472 1 39 MET ME 1 40 ILE HB 2.061 . 2.592 2.779 2.705 2.877 0.285 3 0 "[ . 1 . 2]" 1
473 1 39 MET ME 1 40 ILE MD 1.912 . 2.369 2.350 1.906 2.472 0.103 1 0 "[ . 1 . 2]" 1
474 1 35 MET H 1 35 MET HA 2.531 . 3.332 2.895 2.850 2.916 . 0 0 "[ . 1 . 2]" 1
475 1 1 MET HA 1 1 MET ME 2.686 . 3.588 3.645 2.815 3.859 0.271 6 0 "[ . 1 . 2]" 1
476 1 72 MET H 1 72 MET HA 2.727 . 3.657 2.917 2.891 2.947 . 0 0 "[ . 1 . 2]" 1
477 1 39 MET ME 1 90 ALA H 2.940 . 4.020 4.175 4.113 4.233 0.213 16 0 "[ . 1 . 2]" 1
478 1 39 MET H 1 39 MET ME 2.425 . 3.160 3.336 3.258 3.423 0.263 13 0 "[ . 1 . 2]" 1
479 1 67 ASN QD 1 69 VAL QG 2.388 . 3.101 2.322 2.139 2.725 . 0 0 "[ . 1 . 2]" 1
480 1 99 ILE H 1 99 ILE MD 2.803 . 3.785 2.162 1.960 2.805 . 0 0 "[ . 1 . 2]" 1
481 1 98 ALA H 1 99 ILE MD 2.893 . 3.939 4.060 4.007 4.103 0.164 4 0 "[ . 1 . 2]" 1
482 1 47 TYR QE 1 99 ILE MD 2.878 . 3.913 3.940 2.826 4.146 0.233 6 0 "[ . 1 . 2]" 1
483 1 2 VAL HA 1 2 VAL MG1 2.116 . 2.676 2.462 2.404 2.513 . 0 0 "[ . 1 . 2]" 1
484 1 2 VAL HA 1 52 PHE HB3 2.678 . 3.575 3.610 3.556 3.662 0.087 12 0 "[ . 1 . 2]" 1
485 1 2 VAL HA 1 53 TYR HA 3.102 . 4.305 4.369 4.275 4.413 0.108 12 0 "[ . 1 . 2]" 1
486 1 2 VAL HA 1 3 THR H 2.045 . 2.568 2.174 2.133 2.238 . 0 0 "[ . 1 . 2]" 1
487 1 2 VAL MG1 1 24 ALA MB 2.192 . 2.793 2.826 2.680 2.941 0.148 20 0 "[ . 1 . 2]" 1
488 1 87 VAL HA 1 88 VAL QG 2.682 . 3.581 3.313 3.181 3.599 0.018 3 0 "[ . 1 . 2]" 1
489 1 2 VAL MG2 1 3 THR H 2.813 . 3.802 3.869 3.824 3.936 0.134 2 0 "[ . 1 . 2]" 1
490 1 8 ALA H 1 63 VAL MG2 2.662 . 3.548 2.267 2.041 2.472 . 0 0 "[ . 1 . 2]" 1
491 1 3 THR HA 1 3 THR MG 2.151 . 2.729 2.320 2.240 2.368 . 0 0 "[ . 1 . 2]" 1
492 1 3 THR HA 1 4 GLN HB2 2.989 . 4.106 4.205 4.125 4.272 0.166 13 0 "[ . 1 . 2]" 1
493 1 3 THR H 1 3 THR HA 2.591 . 3.430 2.866 2.801 2.914 . 0 0 "[ . 1 . 2]" 1
494 1 3 THR HA 1 4 GLN H 2.018 . 2.527 2.197 2.094 2.250 . 0 0 "[ . 1 . 2]" 1
495 1 3 THR H 1 3 THR HB 2.353 . 3.045 2.620 2.546 2.827 . 0 0 "[ . 1 . 2]" 1
496 1 3 THR HB 1 53 TYR QE 2.649 . 3.526 2.818 2.577 3.041 . 0 0 "[ . 1 . 2]" 1
497 1 3 THR HB 1 53 TYR QD 2.426 . 3.162 2.081 1.968 2.277 . 0 0 "[ . 1 . 2]" 1
498 1 3 THR HB 1 53 TYR HA 2.939 . 4.018 2.877 2.588 3.027 . 0 0 "[ . 1 . 2]" 1
499 1 3 THR HB 1 3 THR MG 2.112 . 2.669 2.137 2.135 2.138 . 0 0 "[ . 1 . 2]" 1
500 1 4 GLN HA 1 4 GLN HB2 2.458 . 3.213 2.571 2.450 2.993 . 0 0 "[ . 1 . 2]" 1
501 1 5 PHE HA 1 6 LYS H 2.091 . 2.637 2.389 2.280 2.473 . 0 0 "[ . 1 . 2]" 1
502 1 5 PHE H 1 5 PHE HA 2.757 . 3.707 2.910 2.852 2.960 . 0 0 "[ . 1 . 2]" 1
503 1 5 PHE HA 1 5 PHE QD 2.168 . 2.756 1.914 1.792 1.988 . 0 0 "[ . 1 . 2]" 1
504 1 3 THR HA 1 53 TYR HA 3.317 . 4.692 4.434 4.309 4.557 . 0 0 "[ . 1 . 2]" 1
505 1 69 VAL MG1 1 69 VAL MG2 1.992 . 2.488 2.072 2.052 2.081 . 0 0 "[ . 1 . 2]" 1
506 1 2 VAL H 1 2 VAL HB 2.935 . 4.012 2.448 2.315 2.606 . 0 0 "[ . 1 . 2]" 1
507 1 2 VAL MG2 1 52 PHE HB2 2.489 . 3.264 1.826 1.779 1.910 . 0 0 "[ . 1 . 2]" 1
508 1 5 PHE HA 1 10 GLU QG 2.999 . 4.123 3.381 2.643 4.071 . 0 0 "[ . 1 . 2]" 1
509 1 7 THR H 1 7 THR HA 2.690 . 3.594 2.928 2.880 2.959 . 0 0 "[ . 1 . 2]" 1
510 1 7 THR HB 1 8 ALA H 2.241 . 2.869 2.249 1.992 2.602 . 0 0 "[ . 1 . 2]" 1
511 1 7 THR HB 1 9 SER H 3.021 . 4.162 2.487 2.215 2.777 . 0 0 "[ . 1 . 2]" 1
512 1 7 THR HB 1 7 THR MG 1.990 . 2.485 2.132 2.128 2.136 . 0 0 "[ . 1 . 2]" 1
513 1 8 ALA HA 1 11 PHE H 2.458 . 3.213 2.943 2.885 3.009 . 0 0 "[ . 1 . 2]" 1
514 1 8 ALA H 1 8 ALA HA 2.425 . 3.160 2.843 2.810 2.869 . 0 0 "[ . 1 . 2]" 1
515 1 8 ALA MB 1 11 PHE H 3.004 . 4.132 4.243 4.200 4.285 0.153 1 0 "[ . 1 . 2]" 1
516 1 5 PHE QD 1 11 PHE HA 3.047 . 4.207 3.594 3.331 3.776 . 0 0 "[ . 1 . 2]" 1
517 1 12 ASP HA 1 15 ILE MD 3.124 . 4.344 3.890 3.614 4.045 . 0 0 "[ . 1 . 2]" 1
518 1 12 ASP HA 1 15 ILE HG12 2.179 . 2.772 2.227 1.940 2.444 . 0 0 "[ . 1 . 2]" 1
519 1 25 PHE HB2 1 69 VAL QG 2.777 . 3.741 2.384 2.160 2.931 . 0 0 "[ . 1 . 2]" 1
520 1 13 SER HA 1 16 ALA MB 2.312 . 2.980 2.985 2.848 3.034 0.054 5 0 "[ . 1 . 2]" 1
521 1 13 SER HA 1 16 ALA H 2.917 . 3.981 3.478 3.287 3.574 . 0 0 "[ . 1 . 2]" 1
522 1 13 SER H 1 13 SER HA 2.197 . 2.801 2.806 2.785 2.822 0.021 19 0 "[ . 1 . 2]" 1
523 1 14 ALA H 1 14 ALA MB 2.033 . 2.549 2.248 2.225 2.266 . 0 0 "[ . 1 . 2]" 1
524 1 14 ALA MB 1 15 ILE H 2.334 . 3.015 2.686 2.519 2.934 . 0 0 "[ . 1 . 2]" 1
525 1 5 PHE QE 1 14 ALA MB 2.097 . 2.647 2.380 2.128 2.655 0.008 2 0 "[ . 1 . 2]" 1
526 1 5 PHE HZ 1 14 ALA MB 2.146 . 2.722 1.985 1.760 2.251 . 0 0 "[ . 1 . 2]" 1
527 1 11 PHE HA 1 14 ALA MB 2.430 . 3.168 3.203 3.135 3.259 0.091 15 0 "[ . 1 . 2]" 1
528 1 14 ALA MB 1 53 TYR HB2 2.725 . 3.653 3.761 3.644 3.894 0.241 18 0 "[ . 1 . 2]" 1
529 1 14 ALA MB 1 15 ILE MD 2.654 . 3.534 2.896 2.678 3.032 . 0 0 "[ . 1 . 2]" 1
530 1 15 ILE HA 1 15 ILE MD 2.065 . 2.598 2.003 1.950 2.077 . 0 0 "[ . 1 . 2]" 1
531 1 15 ILE HA 1 15 ILE MG 2.895 . 3.942 2.432 2.399 2.453 . 0 0 "[ . 1 . 2]" 1
532 1 15 ILE HA 1 21 VAL QG 2.236 . 2.861 1.926 1.780 2.567 . 0 0 "[ . 1 . 2]" 1
533 1 15 ILE MD 1 15 ILE MG 2.105 . 2.659 2.126 2.041 2.287 . 0 0 "[ . 1 . 2]" 1
534 1 15 ILE HG13 1 15 ILE MG 1.952 . 2.428 2.209 2.144 2.240 . 0 0 "[ . 1 . 2]" 1
535 1 15 ILE HB 1 15 ILE MG 2.163 . 2.748 2.100 2.086 2.106 . 0 0 "[ . 1 . 2]" 1
536 1 15 ILE MG 1 16 ALA MB 2.924 . 3.992 4.006 3.935 4.070 0.078 12 0 "[ . 1 . 2]" 1
537 1 15 ILE MG 1 78 PHE HB3 2.981 . 4.092 1.981 1.873 2.170 . 0 0 "[ . 1 . 2]" 1
538 1 15 ILE MG 1 81 GLY HA2 2.725 . 3.654 1.767 1.738 1.796 0.058 14 0 "[ . 1 . 2]" 1
539 1 15 ILE MG 1 81 GLY HA3 2.859 . 3.881 3.204 3.187 3.221 . 0 0 "[ . 1 . 2]" 1
540 1 12 ASP HA 1 15 ILE MG 2.638 . 3.508 3.639 3.589 3.681 0.173 16 0 "[ . 1 . 2]" 1
541 1 16 ALA HA 1 81 GLY HA2 2.457 . 3.212 2.963 2.718 3.233 0.021 10 0 "[ . 1 . 2]" 1
542 1 16 ALA HA 1 80 ASN HA 2.570 . 3.396 3.273 2.828 3.496 0.100 14 0 "[ . 1 . 2]" 1
543 1 16 ALA MB 1 81 GLY HA2 2.913 . 3.974 3.791 3.536 3.991 0.017 10 0 "[ . 1 . 2]" 1
544 1 17 GLN H 1 17 GLN HA 2.402 . 3.123 2.872 2.843 2.914 . 0 0 "[ . 1 . 2]" 1
545 1 20 LEU H 1 20 LEU HB2 2.763 . 3.718 2.413 2.341 2.556 . 0 0 "[ . 1 . 2]" 1
546 1 20 LEU H 1 20 LEU HB3 2.663 . 3.549 2.661 2.626 2.713 . 0 0 "[ . 1 . 2]" 1
547 1 20 LEU MD2 1 77 LEU HA 2.939 . 4.019 4.004 3.797 4.120 0.101 12 0 "[ . 1 . 2]" 1
548 1 20 LEU MD2 1 21 VAL H 2.315 . 2.985 2.581 2.336 2.790 . 0 0 "[ . 1 . 2]" 1
549 1 20 LEU MD2 1 78 PHE H 2.741 . 3.680 3.370 3.076 3.543 . 0 0 "[ . 1 . 2]" 1
550 1 23 VAL HB 1 76 LEU H 3.043 . 4.200 3.036 2.821 3.271 . 0 0 "[ . 1 . 2]" 1
551 1 15 ILE MD 1 23 VAL QG 2.435 . 3.176 2.262 2.101 2.560 . 0 0 "[ . 1 . 2]" 1
552 1 23 VAL QG 1 53 TYR QD 2.774 . 3.736 3.244 3.024 3.498 . 0 0 "[ . 1 . 2]" 1
553 1 11 PHE QE 1 23 VAL QG 2.384 . 3.094 1.892 1.794 2.042 . 0 0 "[ . 1 . 2]" 1
554 1 23 VAL QG 1 24 ALA H 2.799 . 3.778 2.516 2.392 2.631 . 0 0 "[ . 1 . 2]" 1
555 1 23 VAL H 1 23 VAL QG 2.410 . 3.136 2.445 2.321 2.525 . 0 0 "[ . 1 . 2]" 1
556 1 24 ALA HA 1 75 LEU HG 2.591 . 3.430 3.482 3.310 3.569 0.139 4 0 "[ . 1 . 2]" 1
557 1 24 ALA MB 1 25 PHE H 2.687 . 3.589 3.549 3.506 3.586 . 0 0 "[ . 1 . 2]" 1
558 1 25 PHE H 1 25 PHE HA 2.833 . 3.836 2.931 2.891 2.948 . 0 0 "[ . 1 . 2]" 1
559 1 25 PHE HA 1 26 TYR H 2.112 . 2.669 2.099 2.056 2.148 . 0 0 "[ . 1 . 2]" 1
560 1 25 PHE HA 1 55 LEU HB3 2.704 . 3.618 3.625 3.475 3.689 0.071 9 0 "[ . 1 . 2]" 1
561 1 25 PHE HB3 1 74 THR MG 2.917 . 3.981 3.876 3.044 4.148 0.167 18 0 "[ . 1 . 2]" 1
562 1 26 TYR H 1 26 TYR HA 2.776 . 3.740 2.905 2.850 2.941 . 0 0 "[ . 1 . 2]" 1
563 1 26 TYR HA 1 27 ALA H 2.284 . 2.936 2.575 2.394 2.719 . 0 0 "[ . 1 . 2]" 1
564 1 77 LEU HA 1 78 PHE QD 2.924 . 3.993 3.682 3.542 3.930 . 0 0 "[ . 1 . 2]" 1
565 1 27 ALA HA 1 57 VAL H 2.951 . 4.039 2.695 2.427 2.998 . 0 0 "[ . 1 . 2]" 1
566 1 27 ALA H 1 27 ALA HA 2.865 . 3.891 2.939 2.925 2.945 . 0 0 "[ . 1 . 2]" 1
567 1 26 TYR QD 1 28 THR HA 3.090 . 4.283 3.676 3.420 3.921 . 0 0 "[ . 1 . 2]" 1
568 1 28 THR H 1 28 THR HB 2.742 . 3.682 3.463 3.090 3.581 . 0 0 "[ . 1 . 2]" 1
569 1 28 THR HB 1 29 TRP H 2.955 . 4.046 3.700 3.129 3.905 . 0 0 "[ . 1 . 2]" 1
570 1 28 THR HA 1 28 THR HB 2.092 . 2.639 2.651 2.554 2.887 0.248 4 0 "[ . 1 . 2]" 1
571 1 28 THR HB 1 28 THR MG 1.964 . 2.446 2.134 2.131 2.138 . 0 0 "[ . 1 . 2]" 1
572 1 28 THR H 1 28 THR MG 2.495 . 3.273 2.730 2.440 3.399 0.126 4 0 "[ . 1 . 2]" 1
573 1 26 TYR QE 1 28 THR MG 2.567 . 3.391 3.137 2.636 3.443 0.052 11 0 "[ . 1 . 2]" 1
574 1 28 THR MG 1 56 ASP QB 2.923 . 3.991 2.764 2.088 3.832 . 0 0 "[ . 1 . 2]" 1
575 1 29 TRP HA 1 29 TRP HB3 2.519 . 3.312 2.426 2.384 2.471 . 0 0 "[ . 1 . 2]" 1
576 1 29 TRP HB2 1 29 TRP HD1 2.850 . 3.866 3.739 3.715 3.769 . 0 0 "[ . 1 . 2]" 1
577 1 30 CYS HA 1 30 CYS HB3 2.435 . 3.176 2.980 2.528 3.032 . 0 0 "[ . 1 . 2]" 1
578 1 30 CYS HA 1 30 CYS HB2 2.574 . 3.402 2.487 2.385 3.012 . 0 0 "[ . 1 . 2]" 1
579 1 30 CYS H 1 30 CYS HA 2.739 . 3.677 2.899 2.864 2.932 . 0 0 "[ . 1 . 2]" 1
580 1 29 TRP HZ3 1 30 CYS HA 2.482 . 3.252 3.313 3.280 3.353 0.101 14 0 "[ . 1 . 2]" 1
581 1 35 MET ME 1 39 MET HB2 2.480 . 3.249 3.289 3.010 3.395 0.146 2 0 "[ . 1 . 2]" 1
582 1 36 ILE HA 1 39 MET HB3 2.791 . 3.765 2.865 2.693 3.039 . 0 0 "[ . 1 . 2]" 1
583 1 36 ILE HA 1 39 MET H 2.890 . 3.934 3.663 3.564 3.822 . 0 0 "[ . 1 . 2]" 1
584 1 36 ILE H 1 36 ILE HA 2.486 . 3.259 2.860 2.853 2.876 . 0 0 "[ . 1 . 2]" 1
585 1 37 ALA H 1 37 ALA HA 2.343 . 3.029 2.761 2.746 2.777 . 0 0 "[ . 1 . 2]" 1
586 1 39 MET HA 1 42 LYS QB 1.976 . 2.464 2.468 2.363 2.550 0.086 9 0 "[ . 1 . 2]" 1
587 1 40 ILE H 1 40 ILE HA 2.492 . 3.268 2.857 2.821 2.879 . 0 0 "[ . 1 . 2]" 1
588 1 40 ILE HA 1 43 PHE H 2.643 . 3.516 3.101 2.969 3.212 . 0 0 "[ . 1 . 2]" 1
589 1 40 ILE HB 1 40 ILE MD 2.011 . 2.516 2.299 2.236 2.361 . 0 0 "[ . 1 . 2]" 1
590 1 41 GLU HA 1 44 SER H 2.778 . 3.743 3.898 3.841 4.012 0.269 10 0 "[ . 1 . 2]" 1
591 1 41 GLU H 1 41 GLU HA 2.339 . 3.023 2.830 2.806 2.846 . 0 0 "[ . 1 . 2]" 1
592 1 2 VAL MG2 1 41 GLU HA 2.052 . 2.578 2.073 1.946 2.186 . 0 0 "[ . 1 . 2]" 1
593 1 46 GLN H 1 46 GLN HA 2.207 . 2.816 2.889 2.871 2.900 0.084 17 0 "[ . 1 . 2]" 1
594 1 6 LYS H 1 6 LYS HB2 2.738 . 3.675 3.334 2.747 3.893 0.218 10 0 "[ . 1 . 2]" 1
595 1 47 TYR HA 1 49 GLN H 2.888 . 3.931 3.160 2.968 3.252 . 0 0 "[ . 1 . 2]" 1
596 1 47 TYR H 1 47 TYR HA 2.551 . 3.365 2.925 2.908 2.933 . 0 0 "[ . 1 . 2]" 1
597 1 48 PRO HA 1 48 PRO HB3 2.432 . 3.171 2.296 2.282 2.309 . 0 0 "[ . 1 . 2]" 1
598 1 44 SER QB 1 48 PRO HB3 3.027 . 4.172 3.560 2.964 3.712 . 0 0 "[ . 1 . 2]" 1
599 1 44 SER QB 1 48 PRO HB2 3.175 . 4.435 4.401 4.011 4.484 0.049 6 0 "[ . 1 . 2]" 1
600 1 49 GLN H 1 49 GLN HB2 2.937 . 4.015 3.197 2.575 3.598 . 0 0 "[ . 1 . 2]" 1
601 1 20 LEU HB3 1 50 ALA HA 2.527 . 3.325 3.214 2.877 3.438 0.113 14 0 "[ . 1 . 2]" 1
602 1 50 ALA HA 1 51 ASP H 2.002 . 2.503 2.383 2.308 2.480 . 0 0 "[ . 1 . 2]" 1
603 1 49 GLN QE 1 50 ALA MB 2.270 . 2.914 2.543 1.901 2.977 0.063 17 0 "[ . 1 . 2]" 1
604 1 50 ALA MB 1 99 ILE MG 2.193 . 2.794 2.364 2.133 2.799 0.005 14 0 "[ . 1 . 2]" 1
605 1 51 ASP HA 1 52 PHE H 1.954 . 2.431 2.105 2.035 2.245 . 0 0 "[ . 1 . 2]" 1
606 1 51 ASP H 1 51 ASP HA 2.458 . 3.213 2.905 2.899 2.910 . 0 0 "[ . 1 . 2]" 1
607 1 50 ALA MB 1 51 ASP HA 2.954 . 4.045 4.196 4.155 4.234 0.189 17 0 "[ . 1 . 2]" 1
608 1 14 ALA MB 1 51 ASP HB3 2.762 . 3.716 3.782 3.616 3.875 0.159 16 0 "[ . 1 . 2]" 1
609 1 51 ASP HB3 1 53 TYR QE 2.733 . 3.667 1.817 1.746 1.937 0.053 8 0 "[ . 1 . 2]" 1
610 1 51 ASP H 1 51 ASP HB3 2.807 . 3.792 3.453 3.215 3.668 . 0 0 "[ . 1 . 2]" 1
611 1 21 VAL QG 1 51 ASP HB2 2.931 . 4.005 2.695 2.119 3.240 . 0 0 "[ . 1 . 2]" 1
612 1 51 ASP H 1 51 ASP HB2 2.594 . 3.435 2.349 2.277 2.510 . 0 0 "[ . 1 . 2]" 1
613 1 2 VAL MG2 1 52 PHE HA 2.742 . 3.682 3.608 3.294 3.719 0.037 18 0 "[ . 1 . 2]" 1
614 1 52 PHE HA 1 53 TYR QD 3.087 . 4.279 4.163 3.905 4.296 0.017 9 0 "[ . 1 . 2]" 1
615 1 52 PHE HA 1 53 TYR H 2.027 . 2.541 2.159 2.135 2.181 . 0 0 "[ . 1 . 2]" 1
616 1 52 PHE H 1 52 PHE HB2 3.155 . 4.399 3.502 3.445 3.578 . 0 0 "[ . 1 . 2]" 1
617 1 2 VAL MG2 1 52 PHE HB3 2.819 . 3.812 2.416 2.271 2.556 . 0 0 "[ . 1 . 2]" 1
618 1 3 THR H 1 53 TYR HA 2.346 . 3.034 2.785 2.645 2.943 . 0 0 "[ . 1 . 2]" 1
619 1 53 TYR HA 1 54 LYS H 2.152 . 2.731 2.257 2.141 2.323 . 0 0 "[ . 1 . 2]" 1
620 1 53 TYR HA 1 53 TYR QD 2.691 . 3.596 2.793 2.662 2.942 . 0 0 "[ . 1 . 2]" 1
621 1 2 VAL MG1 1 53 TYR HA 2.433 . 3.173 2.496 2.371 2.539 . 0 0 "[ . 1 . 2]" 1
622 1 23 VAL QG 1 53 TYR HB3 2.894 . 3.941 3.202 2.907 3.439 . 0 0 "[ . 1 . 2]" 1
623 1 2 VAL MG1 1 53 TYR HB3 3.071 . 4.250 4.342 4.275 4.386 0.136 6 0 "[ . 1 . 2]" 1
624 1 53 TYR HA 1 53 TYR HB2 2.938 . 4.017 3.030 3.024 3.037 . 0 0 "[ . 1 . 2]" 1
625 1 53 TYR HA 1 53 TYR HB3 2.841 . 3.850 2.482 2.456 2.512 . 0 0 "[ . 1 . 2]" 1
626 1 53 TYR HB3 1 53 TYR QD 2.679 . 3.576 2.460 2.403 2.495 . 0 0 "[ . 1 . 2]" 1
627 1 5 PHE QE 1 53 TYR HB3 3.088 . 4.280 3.044 2.950 3.217 . 0 0 "[ . 1 . 2]" 1
628 1 53 TYR HB2 1 54 LYS H 3.002 . 4.129 3.837 3.693 4.080 . 0 0 "[ . 1 . 2]" 1
629 1 53 TYR H 1 53 TYR HB3 3.154 . 4.398 3.864 3.846 3.882 . 0 0 "[ . 1 . 2]" 1
630 1 23 VAL QG 1 53 TYR HB2 2.835 . 3.840 2.409 2.218 2.629 . 0 0 "[ . 1 . 2]" 1
631 1 55 LEU MD2 1 63 VAL HB 2.763 . 3.717 2.821 2.725 3.062 . 0 0 "[ . 1 . 2]" 1
632 1 55 LEU HG 1 60 LEU H 3.165 . 4.417 4.397 4.189 4.538 0.121 1 0 "[ . 1 . 2]" 1
633 1 55 LEU MD2 1 55 LEU HG 1.858 . 2.290 2.117 2.086 2.127 . 0 0 "[ . 1 . 2]" 1
634 1 56 ASP HA 1 57 VAL H 2.166 . 2.752 2.147 2.110 2.192 . 0 0 "[ . 1 . 2]" 1
635 1 56 ASP HA 1 57 VAL QG 2.826 . 3.824 3.368 3.174 3.590 . 0 0 "[ . 1 . 2]" 1
636 1 57 VAL HA 1 60 LEU H 2.723 . 3.650 3.016 2.855 3.241 . 0 0 "[ . 1 . 2]" 1
637 1 57 VAL HA 1 64 ALA H 2.957 . 4.050 4.091 3.983 4.186 0.136 13 0 "[ . 1 . 2]" 1
638 1 55 LEU MD2 1 57 VAL HA 2.282 . 2.933 2.656 2.496 2.897 . 0 0 "[ . 1 . 2]" 1
639 1 57 VAL HA 1 64 ALA MB 2.552 . 3.366 3.145 2.986 3.390 0.024 15 0 "[ . 1 . 2]" 1
640 1 59 GLU HA 1 59 GLU HB3 2.370 . 3.072 2.820 2.452 3.026 . 0 0 "[ . 1 . 2]" 1
641 1 60 LEU HA 1 60 LEU HB3 2.080 . 2.621 2.533 2.453 2.628 0.007 13 0 "[ . 1 . 2]" 1
642 1 60 LEU H 1 60 LEU HA 2.531 . 3.332 2.949 2.936 2.961 . 0 0 "[ . 1 . 2]" 1
643 1 60 LEU HB3 1 63 VAL HB 3.133 . 4.360 2.370 1.989 2.995 . 0 0 "[ . 1 . 2]" 1
644 1 61 GLY HA3 1 64 ALA MB 3.220 . 4.516 3.986 3.736 4.434 . 0 0 "[ . 1 . 2]" 1
645 1 61 GLY HA2 1 64 ALA MB 3.071 . 4.250 2.713 2.430 3.079 . 0 0 "[ . 1 . 2]" 1
646 1 62 ASP HA 1 66 LYS H 2.991 . 4.109 4.219 4.151 4.322 0.213 6 0 "[ . 1 . 2]" 1
647 1 63 VAL H 1 63 VAL HA 2.307 . 2.972 2.836 2.814 2.870 . 0 0 "[ . 1 . 2]" 1
648 1 63 VAL HA 1 67 ASN QD 3.213 . 4.504 3.876 3.811 3.928 . 0 0 "[ . 1 . 2]" 1
649 1 63 VAL HA 1 66 LYS H 2.698 . 3.608 3.196 2.972 3.402 . 0 0 "[ . 1 . 2]" 1
650 1 63 VAL HB 1 63 VAL MG2 2.135 . 2.705 2.132 2.129 2.134 . 0 0 "[ . 1 . 2]" 1
651 1 64 ALA HA 1 67 ASN HB2 3.059 . 4.228 3.437 2.743 4.513 0.285 19 0 "[ . 1 . 2]" 1
652 1 64 ALA HA 1 65 GLN H 2.821 . 3.815 3.510 3.476 3.534 . 0 0 "[ . 1 . 2]" 1
653 1 64 ALA H 1 64 ALA MB 1.968 . 2.452 2.217 2.182 2.230 . 0 0 "[ . 1 . 2]" 1
654 1 64 ALA MB 1 69 VAL QG 2.454 . 3.207 2.113 1.866 2.466 . 0 0 "[ . 1 . 2]" 1
655 1 65 GLN HA 1 68 GLU H 2.399 . 3.118 3.217 3.157 3.301 0.183 13 0 "[ . 1 . 2]" 1
656 1 66 LYS HA 1 66 LYS HB2 1.882 . 2.325 2.263 2.233 2.325 . 0 0 "[ . 1 . 2]" 1
657 1 82 LYS HA 1 82 LYS HB3 2.408 . 3.133 2.438 2.354 2.522 . 0 0 "[ . 1 . 2]" 1
658 1 67 ASN HA 1 67 ASN HB2 2.798 . 3.777 2.922 2.620 3.005 . 0 0 "[ . 1 . 2]" 1
659 1 67 ASN H 1 68 GLU HA 3.005 . 4.134 4.283 4.227 4.316 0.182 17 0 "[ . 1 . 2]" 1
660 1 69 VAL HA 1 70 SER H 2.452 . 3.204 2.109 2.076 2.148 . 0 0 "[ . 1 . 2]" 1
661 1 67 ASN HB2 1 69 VAL QG 2.502 . 3.284 1.896 1.714 2.568 0.006 8 0 "[ . 1 . 2]" 1
662 1 11 PHE QE 1 69 VAL QG 2.645 . 3.520 3.610 3.509 3.820 0.300 18 0 "[ . 1 . 2]" 1
663 1 69 VAL H 1 69 VAL QG 2.264 . 2.905 1.909 1.691 2.066 0.174 14 0 "[ . 1 . 2]" 1
664 1 69 VAL QG 1 70 SER HA 2.977 . 4.085 3.380 3.156 3.585 . 0 0 "[ . 1 . 2]" 1
665 1 70 SER H 1 70 SER HA 2.860 . 3.882 2.941 2.928 2.947 . 0 0 "[ . 1 . 2]" 1
666 1 70 SER HA 1 71 ALA H 3.115 . 4.328 3.423 3.127 3.535 . 0 0 "[ . 1 . 2]" 1
667 1 71 ALA HA 1 71 ALA MB 2.059 . 2.589 2.132 2.129 2.137 . 0 0 "[ . 1 . 2]" 1
668 1 85 ALA HA 1 85 ALA MB 1.947 . 2.421 2.121 2.113 2.125 . 0 0 "[ . 1 . 2]" 1
669 1 85 ALA MB 1 102 ASN QD 2.466 . 3.226 2.515 2.356 2.845 . 0 0 "[ . 1 . 2]" 1
670 1 85 ALA H 1 85 ALA MB 2.417 . 3.147 2.813 2.760 2.857 . 0 0 "[ . 1 . 2]" 1
671 1 73 PRO HA 1 74 THR H 2.176 . 2.768 2.296 2.209 2.513 . 0 0 "[ . 1 . 2]" 1
672 1 74 THR HA 1 75 LEU H 2.015 . 2.522 2.143 2.103 2.217 . 0 0 "[ . 1 . 2]" 1
673 1 74 THR HA 1 74 THR MG 2.125 . 2.689 2.560 2.499 2.635 . 0 0 "[ . 1 . 2]" 1
674 1 74 THR HA 1 89 GLY H 2.636 . 3.504 3.320 2.757 3.558 0.054 9 0 "[ . 1 . 2]" 1
675 1 74 THR HA 1 88 VAL HA 2.213 . 2.825 2.134 2.043 2.287 . 0 0 "[ . 1 . 2]" 1
676 1 36 ILE MD 1 73 PRO HB2 2.195 . 2.797 2.165 1.963 2.549 . 0 0 "[ . 1 . 2]" 1
677 1 74 THR H 1 74 THR HB 2.634 . 3.502 2.656 2.502 2.828 . 0 0 "[ . 1 . 2]" 1
678 1 74 THR HA 1 74 THR HB 2.649 . 3.526 3.017 3.004 3.028 . 0 0 "[ . 1 . 2]" 1
679 1 25 PHE HB3 1 74 THR HB 2.559 . 3.378 3.088 2.272 3.411 0.033 14 0 "[ . 1 . 2]" 1
680 1 74 THR HB 1 74 THR MG 2.113 . 2.671 2.126 2.084 2.132 . 0 0 "[ . 1 . 2]" 1
681 1 74 THR HB 1 75 LEU H 3.121 . 4.338 4.176 4.026 4.286 . 0 0 "[ . 1 . 2]" 1
682 1 25 PHE HB2 1 74 THR HB 2.737 . 3.673 3.220 1.883 3.681 0.008 1 0 "[ . 1 . 2]" 1
683 1 74 THR MG 1 75 LEU H 2.383 . 3.093 2.449 1.992 2.738 . 0 0 "[ . 1 . 2]" 1
684 1 69 VAL QG 1 74 THR MG 2.367 . 3.067 2.307 2.175 2.457 . 0 0 "[ . 1 . 2]" 1
685 1 74 THR H 1 74 THR MG 3.081 . 4.267 3.796 3.732 3.913 . 0 0 "[ . 1 . 2]" 1
686 1 24 ALA HA 1 75 LEU MD2 2.796 . 3.773 3.954 3.909 4.023 0.250 17 0 "[ . 1 . 2]" 1
687 1 24 ALA MB 1 54 LYS HA 2.187 . 2.785 2.101 1.763 2.477 . 0 0 "[ . 1 . 2]" 1
688 1 54 LYS HA 1 54 LYS QB 2.321 . 2.994 2.298 2.168 2.499 . 0 0 "[ . 1 . 2]" 1
689 1 24 ALA HA 1 75 LEU HA 2.189 . 2.788 2.887 2.826 3.003 0.215 6 0 "[ . 1 . 2]" 1
690 1 54 LYS H 1 54 LYS HA 2.669 . 3.559 2.925 2.902 2.958 . 0 0 "[ . 1 . 2]" 1
691 1 24 ALA H 1 54 LYS HA 2.262 . 2.902 2.404 2.199 2.641 . 0 0 "[ . 1 . 2]" 1
692 1 54 LYS HA 1 55 LEU H 2.117 . 2.677 2.348 2.264 2.413 . 0 0 "[ . 1 . 2]" 1
693 1 75 LEU HA 1 76 LEU H 2.025 . 2.538 2.199 2.183 2.231 . 0 0 "[ . 1 . 2]" 1
694 1 75 LEU H 1 75 LEU HA 2.426 . 3.162 2.946 2.931 2.955 . 0 0 "[ . 1 . 2]" 1
695 1 75 LEU MD1 1 75 LEU HG 1.986 . 2.479 2.136 2.129 2.144 . 0 0 "[ . 1 . 2]" 1
696 1 67 ASN HB2 1 76 LEU QD 2.272 . 2.917 2.568 1.869 2.990 0.073 3 0 "[ . 1 . 2]" 1
697 1 69 VAL QG 1 76 LEU QD 2.278 . 2.927 2.500 2.138 2.905 . 0 0 "[ . 1 . 2]" 1
698 1 76 LEU HA 1 76 LEU HB3 2.299 . 2.960 2.815 2.716 2.926 . 0 0 "[ . 1 . 2]" 1
699 1 11 PHE QE 1 76 LEU HB2 2.722 . 3.648 3.591 3.325 4.084 0.436 6 0 "[ . 1 . 2]" 1
700 1 23 VAL HB 1 76 LEU HB2 3.042 . 4.199 2.939 2.635 3.477 . 0 0 "[ . 1 . 2]" 1
701 1 77 LEU HA 1 78 PHE H 2.055 . 2.583 2.183 2.164 2.209 . 0 0 "[ . 1 . 2]" 1
702 1 77 LEU H 1 77 LEU HA 2.696 . 3.604 2.935 2.916 2.941 . 0 0 "[ . 1 . 2]" 1
703 1 77 LEU HA 1 77 LEU MD1 2.399 . 3.118 2.404 2.241 2.747 . 0 0 "[ . 1 . 2]" 1
704 1 78 PHE H 1 78 PHE HA 2.708 . 3.625 2.944 2.938 2.949 . 0 0 "[ . 1 . 2]" 1
705 1 78 PHE HA 1 84 VAL H 2.314 . 2.983 2.862 2.667 2.998 0.015 18 0 "[ . 1 . 2]" 1
706 1 78 PHE HA 1 79 LYS H 1.992 . 2.488 2.314 2.241 2.396 . 0 0 "[ . 1 . 2]" 1
707 1 78 PHE HA 1 78 PHE QD 2.584 . 3.419 3.017 2.843 3.098 . 0 0 "[ . 1 . 2]" 1
708 1 78 PHE HA 1 83 GLU HA 2.210 . 2.820 2.187 2.097 2.268 . 0 0 "[ . 1 . 2]" 1
709 1 78 PHE HA 1 83 GLU HG3 2.819 . 3.813 3.892 3.744 3.985 0.172 5 0 "[ . 1 . 2]" 1
710 1 78 PHE HA 1 84 VAL MG2 2.588 . 3.425 2.212 2.153 2.304 . 0 0 "[ . 1 . 2]" 1
711 1 21 VAL QG 1 78 PHE HB2 3.071 . 4.250 2.541 2.035 3.366 . 0 0 "[ . 1 . 2]" 1
712 1 80 ASN H 1 80 ASN HA 1.946 . 2.419 2.260 2.243 2.279 . 0 0 "[ . 1 . 2]" 1
713 1 80 ASN HA 1 81 GLY H 2.319 . 2.991 2.645 2.566 2.810 . 0 0 "[ . 1 . 2]" 1
714 1 17 GLN H 1 80 ASN HA 3.116 . 4.330 3.970 3.647 4.333 0.003 7 0 "[ . 1 . 2]" 1
715 1 15 ILE HG13 1 81 GLY HA2 3.176 . 4.436 4.644 4.607 4.683 0.247 16 0 "[ . 1 . 2]" 1
716 1 81 GLY HA2 1 82 LYS H 3.203 . 4.485 3.259 3.149 3.368 . 0 0 "[ . 1 . 2]" 1
717 1 16 ALA MB 1 81 GLY HA3 3.416 . 4.875 3.919 3.612 4.111 . 0 0 "[ . 1 . 2]" 1
718 1 81 GLY H 1 81 GLY HA3 2.547 . 3.358 2.882 2.862 2.906 . 0 0 "[ . 1 . 2]" 1
719 1 83 GLU HA 1 83 GLU HG2 2.890 . 3.934 3.097 3.038 3.139 . 0 0 "[ . 1 . 2]" 1
720 1 83 GLU HG3 1 85 ALA H 2.951 . 4.040 3.246 3.012 3.371 . 0 0 "[ . 1 . 2]" 1
721 1 76 LEU QD 1 83 GLU HG3 2.472 . 3.236 2.513 2.173 2.867 . 0 0 "[ . 1 . 2]" 1
722 1 84 VAL H 1 84 VAL HA 2.415 . 3.144 2.884 2.872 2.891 . 0 0 "[ . 1 . 2]" 1
723 1 84 VAL HA 1 84 VAL MG1 1.870 . 2.307 2.188 2.152 2.227 . 0 0 "[ . 1 . 2]" 1
724 1 84 VAL HA 1 84 VAL MG2 2.305 . 2.969 3.131 3.118 3.144 0.175 5 0 "[ . 1 . 2]" 1
725 1 84 VAL H 1 84 VAL MG2 2.210 . 2.820 2.384 2.344 2.435 . 0 0 "[ . 1 . 2]" 1
726 1 77 LEU H 1 84 VAL MG2 3.010 . 4.143 4.025 3.959 4.140 . 0 0 "[ . 1 . 2]" 1
727 1 83 GLU HA 1 84 VAL MG2 2.847 . 3.860 3.507 3.452 3.608 . 0 0 "[ . 1 . 2]" 1
728 1 78 PHE HB3 1 84 VAL MG2 3.052 . 4.216 4.269 4.234 4.302 0.086 18 0 "[ . 1 . 2]" 1
729 1 79 LYS HB2 1 84 VAL MG2 2.268 . 2.911 2.822 2.510 2.985 0.074 20 0 "[ . 1 . 2]" 1
730 1 77 LEU HB3 1 84 VAL MG2 1.980 . 2.470 1.854 1.803 1.921 . 0 0 "[ . 1 . 2]" 1
731 1 26 TYR QE 1 40 ILE MD 3.188 . 4.458 4.570 4.489 4.658 0.200 20 0 "[ . 1 . 2]" 1
732 1 85 ALA HA 1 86 LYS H 1.849 . 2.277 2.278 2.206 2.332 0.055 19 0 "[ . 1 . 2]" 1
733 1 85 ALA H 1 85 ALA HA 2.343 . 3.029 2.833 2.811 2.870 . 0 0 "[ . 1 . 2]" 1
734 1 83 GLU HG2 1 85 ALA HA 2.543 . 3.351 3.494 3.439 3.575 0.224 14 0 "[ . 1 . 2]" 1
735 1 77 LEU MD2 1 85 ALA HA 2.994 . 4.114 4.277 4.232 4.352 0.238 15 0 "[ . 1 . 2]" 1
736 1 84 VAL H 1 85 ALA MB 3.004 . 4.132 4.147 4.067 4.186 0.054 20 0 "[ . 1 . 2]" 1
737 1 85 ALA MB 1 86 LYS HA 2.879 . 3.915 3.867 3.752 3.966 0.051 1 0 "[ . 1 . 2]" 1
738 1 77 LEU MD2 1 85 ALA MB 1.931 . 2.397 1.753 1.709 1.798 . 0 0 "[ . 1 . 2]" 1
739 1 26 TYR QD 1 73 PRO HB3 3.163 . 4.413 4.141 3.864 4.346 . 0 0 "[ . 1 . 2]" 1
740 1 36 ILE MD 1 89 GLY HA2 3.193 . 4.467 3.681 3.409 3.901 . 0 0 "[ . 1 . 2]" 1
741 1 89 GLY HA3 1 90 ALA H 3.276 . 4.618 3.159 3.055 3.243 . 0 0 "[ . 1 . 2]" 1
742 1 89 GLY H 1 89 GLY HA3 2.648 . 3.525 2.845 2.790 2.897 . 0 0 "[ . 1 . 2]" 1
743 1 90 ALA HA 1 91 ASN H 2.099 . 2.650 2.148 2.078 2.215 . 0 0 "[ . 1 . 2]" 1
744 1 90 ALA H 1 90 ALA MB 3.167 . 4.421 2.173 2.117 2.212 . 0 0 "[ . 1 . 2]" 1
745 1 8 ALA MB 1 63 VAL HA 2.834 . 3.838 2.175 2.025 2.346 . 0 0 "[ . 1 . 2]" 1
746 1 39 MET HB2 1 90 ALA MB 2.396 . 3.114 3.258 3.144 3.340 0.226 17 0 "[ . 1 . 2]" 1
747 1 91 ASN H 1 91 ASN HA 2.615 . 3.470 2.939 2.931 2.944 . 0 0 "[ . 1 . 2]" 1
748 1 35 MET ME 1 91 ASN HA 2.935 . 4.012 3.721 3.524 3.928 . 0 0 "[ . 1 . 2]" 1
749 1 94 ALA MB 1 95 ILE HA 2.824 . 3.821 3.876 3.835 3.918 0.097 8 0 "[ . 1 . 2]" 1
750 1 95 ILE HA 1 98 ALA MB 2.368 . 3.069 2.158 1.925 2.434 . 0 0 "[ . 1 . 2]" 1
751 1 95 ILE HA 1 98 ALA H 2.753 . 3.700 2.804 2.543 3.144 . 0 0 "[ . 1 . 2]" 1
752 1 95 ILE H 1 95 ILE HA 2.391 . 3.105 2.883 2.844 2.910 . 0 0 "[ . 1 . 2]" 1
753 1 95 ILE HA 1 96 LYS H 2.864 . 3.890 3.545 3.531 3.557 . 0 0 "[ . 1 . 2]" 1
754 1 97 GLN HA 1 100 ALA H 2.630 . 3.495 3.594 3.517 3.656 0.161 6 0 "[ . 1 . 2]" 1
755 1 98 ALA HA 1 102 ASN QD 2.546 . 3.356 2.997 2.782 3.129 . 0 0 "[ . 1 . 2]" 1
756 1 98 ALA HA 1 99 ILE MD 3.133 . 4.360 4.656 4.437 5.728 1.368 14 3 "[ . 1*- +. 2]" 1
757 1 98 ALA MB 1 102 ASN QD 2.756 . 3.705 2.257 2.096 2.460 . 0 0 "[ . 1 . 2]" 1
758 1 99 ILE HA 1 100 ALA H 2.804 . 3.787 3.535 3.504 3.566 . 0 0 "[ . 1 . 2]" 1
759 1 99 ILE HA 1 103 ALA H 3.055 . 4.222 4.242 4.090 4.292 0.070 8 0 "[ . 1 . 2]" 1
760 1 98 ALA H 1 99 ILE QG 2.902 . 3.955 3.933 3.884 4.044 0.089 14 0 "[ . 1 . 2]" 1
761 1 101 ALA MB 1 102 ASN QD 2.443 . 3.189 3.016 2.948 3.152 . 0 0 "[ . 1 . 2]" 1
762 1 6 LYS HB2 1 7 THR H 3.097 . 4.296 3.470 2.546 4.465 0.169 2 0 "[ . 1 . 2]" 1
763 1 5 PHE HB3 1 6 LYS HA 2.937 . 4.015 4.089 3.927 4.193 0.178 12 0 "[ . 1 . 2]" 1
764 1 6 LYS HA 1 7 THR H 3.121 . 4.338 3.427 3.241 3.557 . 0 0 "[ . 1 . 2]" 1
765 1 6 LYS H 1 6 LYS HA 2.607 . 3.456 2.933 2.918 2.948 . 0 0 "[ . 1 . 2]" 1
766 1 19 LYS H 1 19 LYS HA 2.307 . 2.972 2.896 2.814 2.944 . 0 0 "[ . 1 . 2]" 1
767 1 17 GLN QB 1 19 LYS HG2 2.546 . 3.356 2.395 1.828 3.293 . 0 0 "[ . 1 . 2]" 1
768 1 42 LYS HA 1 45 GLU H 2.723 . 3.650 3.229 2.731 3.550 . 0 0 "[ . 1 . 2]" 1
769 1 34 LYS H 1 34 LYS HA 2.542 . 3.350 2.823 2.800 2.836 . 0 0 "[ . 1 . 2]" 1
770 1 42 LYS H 1 42 LYS HA 2.204 . 2.811 2.842 2.808 2.873 0.062 8 0 "[ . 1 . 2]" 1
771 1 34 LYS HA 1 37 ALA MB 1.986 . 2.479 2.486 2.229 2.573 0.094 17 0 "[ . 1 . 2]" 1
772 1 42 LYS HA 1 45 GLU HB3 1.972 . 2.458 2.258 1.903 2.642 0.184 7 0 "[ . 1 . 2]" 1
773 1 63 VAL HA 1 66 LYS HG3 3.049 . 4.211 4.183 3.488 4.361 0.150 2 0 "[ . 1 . 2]" 1
774 1 66 LYS HA 1 66 LYS HG3 2.750 . 3.695 3.408 3.187 3.629 . 0 0 "[ . 1 . 2]" 1
775 1 53 TYR HA 1 54 LYS QB 2.871 . 3.901 3.959 3.894 4.000 0.099 1 0 "[ . 1 . 2]" 1
776 1 2 VAL MG1 1 54 LYS QB 2.946 . 4.031 2.228 1.901 2.861 . 0 0 "[ . 1 . 2]" 1
777 1 24 ALA MB 1 54 LYS QB 2.555 . 3.371 2.334 1.781 3.164 . 0 0 "[ . 1 . 2]" 1
778 1 26 TYR QD 1 54 LYS QB 3.258 . 4.585 3.996 3.567 4.466 . 0 0 "[ . 1 . 2]" 1
779 1 42 LYS HA 1 43 PHE H 2.832 . 3.834 3.544 3.504 3.584 . 0 0 "[ . 1 . 2]" 1
780 1 43 PHE HA 1 96 LYS QB 2.380 . 3.088 3.311 3.098 4.626 1.538 17 1 "[ . 1 . + 2]" 1
781 1 96 LYS H 1 96 LYS QB 2.215 . 2.828 2.456 2.116 2.766 . 0 0 "[ . 1 . 2]" 1
782 1 19 LYS H 1 79 LYS HA 3.011 . 4.144 4.051 3.586 4.213 0.069 20 0 "[ . 1 . 2]" 1
783 1 79 LYS HA 1 80 ASN H 2.057 . 2.586 2.140 2.083 2.205 . 0 0 "[ . 1 . 2]" 1
784 1 21 VAL H 1 79 LYS HA 2.855 . 3.874 3.588 3.420 3.872 . 0 0 "[ . 1 . 2]" 1
785 1 86 LYS H 1 86 LYS HB2 2.951 . 4.040 3.694 3.214 3.949 . 0 0 "[ . 1 . 2]" 1
786 1 82 LYS HA 1 82 LYS HB2 2.554 . 3.369 2.846 2.384 3.035 . 0 0 "[ . 1 . 2]" 1
787 1 82 LYS HB3 1 83 GLU H 2.711 . 3.630 3.023 2.545 3.934 0.304 17 0 "[ . 1 . 2]" 1
788 1 82 LYS HB2 1 83 GLU H 2.869 . 3.898 3.283 2.529 3.701 . 0 0 "[ . 1 . 2]" 1
789 1 86 LYS H 1 86 LYS HA 2.585 . 3.420 2.909 2.878 2.933 . 0 0 "[ . 1 . 2]" 1
790 1 86 LYS HA 1 87 VAL H 1.974 . 2.461 2.177 2.148 2.212 . 0 0 "[ . 1 . 2]" 1
791 1 86 LYS HA 1 86 LYS HB3 2.632 . 3.498 2.622 2.272 3.031 . 0 0 "[ . 1 . 2]" 1
792 1 86 LYS H 1 86 LYS HB3 2.859 . 3.881 3.202 2.676 3.735 . 0 0 "[ . 1 . 2]" 1
793 1 2 VAL HB 1 41 GLU HA 3.049 . 4.211 4.329 4.237 4.385 0.174 1 0 "[ . 1 . 2]" 1
794 1 8 ALA MB 1 66 LYS HB3 2.192 . 2.793 2.888 2.858 2.917 0.124 9 0 "[ . 1 . 2]" 1
795 1 95 ILE MG 1 96 LYS H 2.694 . 3.601 3.435 3.013 3.720 0.119 4 0 "[ . 1 . 2]" 1
796 1 99 ILE MD 1 99 ILE MG 2.102 . 2.654 2.191 2.105 2.374 . 0 0 "[ . 1 . 2]" 1
797 1 99 ILE HB 1 99 ILE MG 2.217 . 2.832 2.123 2.119 2.133 . 0 0 "[ . 1 . 2]" 1
798 1 91 ASN HD21 1 92 PRO HD2 2.717 . 3.640 2.620 2.276 2.966 . 0 0 "[ . 1 . 2]" 1
799 1 91 ASN HD21 1 92 PRO HD3 2.796 . 3.773 3.830 3.785 3.883 0.110 8 0 "[ . 1 . 2]" 1
800 1 91 ASN HD22 1 92 PRO HD2 2.858 . 3.879 3.862 3.704 3.952 0.073 3 0 "[ . 1 . 2]" 1
801 1 35 MET ME 1 92 PRO HD2 2.169 . 2.757 2.924 2.864 3.007 0.250 8 0 "[ . 1 . 2]" 1
802 1 90 ALA MB 1 92 PRO HD3 2.362 . 3.059 3.109 3.052 3.151 0.092 19 0 "[ . 1 . 2]" 1
803 1 35 MET HA 1 35 MET HG2 2.784 . 3.753 2.814 2.550 3.773 0.020 10 0 "[ . 1 . 2]" 1
804 1 1 MET QG 1 2 VAL HA 3.075 . 4.257 3.946 3.576 4.213 . 0 0 "[ . 1 . 2]" 1
805 1 33 CYS HA 1 33 CYS HB3 2.893 . 3.939 2.476 2.392 3.020 . 0 0 "[ . 1 . 2]" 1
806 1 25 PHE HB2 1 74 THR MG 2.517 . 3.309 3.207 3.068 3.326 0.017 15 0 "[ . 1 . 2]" 1
807 1 82 LYS H 1 82 LYS HG2 2.934 . 4.010 3.156 2.310 4.024 0.014 14 0 "[ . 1 . 2]" 1
808 1 9 SER H 1 9 SER HA 2.924 . 3.993 2.791 2.768 2.810 . 0 0 "[ . 1 . 2]" 1
809 1 35 MET ME 1 92 PRO HD3 2.335 . 3.016 1.951 1.822 2.131 . 0 0 "[ . 1 . 2]" 1
810 1 3 THR MG 1 4 GLN H 2.426 . 3.162 2.251 2.160 2.610 . 0 0 "[ . 1 . 2]" 1
811 1 8 ALA H 1 8 ALA MB 2.161 . 2.745 2.251 2.221 2.273 . 0 0 "[ . 1 . 2]" 1
812 1 99 ILE HB 1 100 ALA H 2.321 . 2.995 2.675 2.535 2.885 . 0 0 "[ . 1 . 2]" 1
813 1 61 GLY H 1 61 GLY HA2 2.399 . 3.118 2.853 2.831 2.872 . 0 0 "[ . 1 . 2]" 1
814 1 61 GLY H 1 61 GLY HA3 2.621 . 3.480 2.302 2.293 2.310 . 0 0 "[ . 1 . 2]" 1
815 1 81 GLY H 1 81 GLY HA2 2.352 . 3.044 2.324 2.310 2.340 . 0 0 "[ . 1 . 2]" 1
816 1 5 PHE H 1 5 PHE HB3 2.854 . 3.872 3.587 3.533 3.643 . 0 0 "[ . 1 . 2]" 1
817 1 5 PHE H 1 5 PHE HB2 2.485 . 3.257 2.332 2.242 2.415 . 0 0 "[ . 1 . 2]" 1
818 1 25 PHE H 1 25 PHE HB2 3.033 . 4.183 2.337 2.256 2.614 . 0 0 "[ . 1 . 2]" 1
819 1 25 PHE H 1 25 PHE HB3 2.684 . 3.585 3.413 3.032 3.604 0.019 18 0 "[ . 1 . 2]" 1
820 1 25 PHE H 1 75 LEU HA 2.916 . 3.979 3.037 2.950 3.109 . 0 0 "[ . 1 . 2]" 1
821 1 25 PHE H 1 74 THR H 3.041 . 4.197 3.611 3.431 3.818 . 0 0 "[ . 1 . 2]" 1
822 1 25 PHE H 1 40 ILE MD 3.103 . 4.306 4.030 3.866 4.176 . 0 0 "[ . 1 . 2]" 1
823 1 25 PHE H 1 69 VAL QG 3.342 . 4.738 4.031 3.791 4.290 . 0 0 "[ . 1 . 2]" 1
824 1 43 PHE H 1 43 PHE HA 2.686 . 3.588 2.794 2.770 2.822 . 0 0 "[ . 1 . 2]" 1
825 1 8 ALA MB 1 9 SER H 3.014 . 4.150 2.771 2.685 2.858 . 0 0 "[ . 1 . 2]" 1
826 1 9 SER H 1 10 GLU H 3.187 . 4.457 2.763 2.665 2.841 . 0 0 "[ . 1 . 2]" 1
827 1 44 SER H 1 45 GLU H 2.568 . 3.392 2.406 2.294 2.505 . 0 0 "[ . 1 . 2]" 1
828 1 2 VAL MG2 1 44 SER H 3.115 . 4.328 4.334 4.046 4.417 0.089 17 0 "[ . 1 . 2]" 1
829 1 29 TRP H 1 29 TRP HB3 2.900 . 3.951 2.799 2.691 2.895 . 0 0 "[ . 1 . 2]" 1
830 1 29 TRP H 1 29 TRP HA 2.763 . 3.717 2.893 2.873 2.908 . 0 0 "[ . 1 . 2]" 1
831 1 4 GLN HB2 1 5 PHE H 3.148 . 4.387 4.314 4.185 4.439 0.052 3 0 "[ . 1 . 2]" 1
832 1 4 GLN HB3 1 5 PHE H 3.387 . 4.821 4.030 3.240 4.286 . 0 0 "[ . 1 . 2]" 1
833 1 4 GLN H 1 4 GLN HA 2.370 . 3.072 2.914 2.837 2.942 . 0 0 "[ . 1 . 2]" 1
834 1 49 GLN H 1 49 GLN HB3 2.365 . 3.064 2.543 2.269 2.875 . 0 0 "[ . 1 . 2]" 1
835 1 44 SER HA 1 49 GLN H 3.443 . 4.925 4.721 4.549 4.960 0.035 14 0 "[ . 1 . 2]" 1
836 1 65 GLN H 1 65 GLN QB 2.310 . 2.977 2.413 2.109 2.517 . 0 0 "[ . 1 . 2]" 1
837 1 97 GLN H 1 97 GLN HA 2.400 . 3.120 2.847 2.795 2.887 . 0 0 "[ . 1 . 2]" 1
838 1 10 GLU H 1 10 GLU HB2 2.315 . 2.985 2.225 2.162 2.262 . 0 0 "[ . 1 . 2]" 1
839 1 45 GLU H 1 46 GLN H 2.238 . 2.864 2.614 2.526 2.765 . 0 0 "[ . 1 . 2]" 1
840 1 73 PRO HB2 1 74 THR H 2.291 . 2.947 2.890 2.493 3.038 0.091 16 0 "[ . 1 . 2]" 1
841 1 19 LYS HB2 1 20 LEU H 2.131 . 2.699 2.178 1.996 2.449 . 0 0 "[ . 1 . 2]" 1
842 1 20 LEU H 1 20 LEU HA 2.484 . 3.255 2.866 2.835 2.897 . 0 0 "[ . 1 . 2]" 1
843 1 55 LEU H 1 55 LEU HA 2.929 . 4.002 2.874 2.864 2.891 . 0 0 "[ . 1 . 2]" 1
844 1 77 LEU H 1 77 LEU MD1 2.539 . 3.345 2.419 2.194 2.508 . 0 0 "[ . 1 . 2]" 1
845 1 55 LEU H 1 55 LEU MD2 2.780 . 3.746 3.929 3.857 3.969 0.223 7 0 "[ . 1 . 2]" 1
846 1 60 LEU HA 1 61 GLY H 2.503 . 3.286 2.347 2.225 2.461 . 0 0 "[ . 1 . 2]" 1
847 1 60 LEU H 1 60 LEU HB2 2.455 . 3.209 2.577 2.463 2.697 . 0 0 "[ . 1 . 2]" 1
848 1 55 LEU MD2 1 60 LEU H 2.788 . 3.760 2.991 2.821 3.258 . 0 0 "[ . 1 . 2]" 1
849 1 75 LEU H 1 75 LEU HB2 2.600 . 3.445 2.531 2.458 2.630 . 0 0 "[ . 1 . 2]" 1
850 1 75 LEU H 1 88 VAL HA 3.422 . 4.886 3.316 3.201 3.490 . 0 0 "[ . 1 . 2]" 1
851 1 76 LEU H 1 76 LEU HB2 2.878 . 3.913 2.470 2.411 2.585 . 0 0 "[ . 1 . 2]" 1
852 1 75 LEU HB3 1 76 LEU H 2.558 . 3.376 3.318 3.107 3.430 0.054 6 0 "[ . 1 . 2]" 1
853 1 77 LEU H 1 77 LEU HB2 2.313 . 2.982 2.363 2.328 2.420 . 0 0 "[ . 1 . 2]" 1
854 1 26 TYR QD 1 55 LEU H 2.931 . 4.005 4.004 3.677 4.086 0.081 16 0 "[ . 1 . 2]" 1
855 1 25 PHE HA 1 55 LEU H 2.987 . 4.102 2.925 2.797 3.290 . 0 0 "[ . 1 . 2]" 1
856 1 57 VAL H 1 72 MET ME 3.067 . 4.243 4.384 4.277 4.475 0.232 9 0 "[ . 1 . 2]" 1
857 1 54 LYS QB 1 55 LEU H 2.981 . 4.092 2.738 2.566 2.954 . 0 0 "[ . 1 . 2]" 1
858 1 76 LEU HB2 1 77 LEU H 3.287 . 4.638 4.536 4.446 4.574 . 0 0 "[ . 1 . 2]" 1
859 1 15 ILE H 1 15 ILE HA 2.607 . 3.456 2.814 2.782 2.877 . 0 0 "[ . 1 . 2]" 1
860 1 15 ILE H 1 15 ILE HG12 2.365 . 3.064 2.248 2.181 2.349 . 0 0 "[ . 1 . 2]" 1
861 1 36 ILE H 1 73 PRO HG3 2.713 . 3.633 3.614 3.407 4.141 0.508 3 1 "[ + . 1 . 2]" 1
862 1 36 ILE H 1 36 ILE MD 2.587 . 3.424 2.606 2.492 2.716 . 0 0 "[ . 1 . 2]" 1
863 1 40 ILE H 1 40 ILE MD 2.998 . 4.121 3.750 3.418 3.917 . 0 0 "[ . 1 . 2]" 1
864 1 95 ILE H 1 95 ILE HB 2.317 . 2.988 2.535 2.413 2.626 . 0 0 "[ . 1 . 2]" 1
865 1 93 ALA HA 1 95 ILE H 2.995 . 4.116 4.179 4.091 4.241 0.125 1 0 "[ . 1 . 2]" 1
866 1 94 ALA MB 1 95 ILE H 2.704 . 3.618 2.754 2.667 2.829 . 0 0 "[ . 1 . 2]" 1
867 1 99 ILE H 1 99 ILE HB 2.197 . 2.800 2.846 2.556 2.954 0.154 1 0 "[ . 1 . 2]" 1
868 1 98 ALA HA 1 99 ILE H 3.066 . 4.241 3.532 3.500 3.555 . 0 0 "[ . 1 . 2]" 1
869 1 2 VAL H 1 2 VAL MG2 3.039 . 4.194 2.606 2.223 2.917 . 0 0 "[ . 1 . 2]" 1
870 1 20 LEU HA 1 21 VAL H 2.057 . 2.586 2.114 2.090 2.152 . 0 0 "[ . 1 . 2]" 1
871 1 21 VAL H 1 78 PHE HB2 3.132 . 4.358 3.922 3.646 4.346 . 0 0 "[ . 1 . 2]" 1
872 1 23 VAL H 1 23 VAL HB 2.507 . 3.293 2.654 2.573 2.745 . 0 0 "[ . 1 . 2]" 1
873 1 23 VAL H 1 23 VAL HA 2.954 . 4.044 2.929 2.919 2.939 . 0 0 "[ . 1 . 2]" 1
874 1 58 ASP H 1 58 ASP HB3 2.367 . 3.067 2.491 2.352 2.709 . 0 0 "[ . 1 . 2]" 1
875 1 63 VAL H 1 63 VAL HB 2.234 . 2.858 2.537 2.483 2.651 . 0 0 "[ . 1 . 2]" 1
876 1 68 GLU HA 1 69 VAL H 2.357 . 3.051 3.009 2.925 3.120 0.069 6 0 "[ . 1 . 2]" 1
877 1 87 VAL HB 1 88 VAL H 3.635 . 5.286 3.960 2.866 4.225 . 0 0 "[ . 1 . 2]" 1
878 1 87 VAL HA 1 88 VAL H 2.101 . 2.653 2.169 2.126 2.240 . 0 0 "[ . 1 . 2]" 1
879 1 21 VAL HA 1 22 VAL H 2.143 . 2.717 2.172 2.139 2.208 . 0 0 "[ . 1 . 2]" 1
880 1 23 VAL H 1 75 LEU HA 3.409 . 4.862 4.650 4.443 4.873 0.011 4 0 "[ . 1 . 2]" 1
881 1 23 VAL H 1 77 LEU HA 2.895 . 3.942 3.279 3.064 3.602 . 0 0 "[ . 1 . 2]" 1
882 1 23 VAL H 1 77 LEU MD1 2.544 . 3.353 3.127 2.673 3.433 0.080 1 0 "[ . 1 . 2]" 1
883 1 22 VAL H 1 22 VAL QG 2.336 . 3.018 2.305 1.772 2.610 . 0 0 "[ . 1 . 2]" 1
884 1 39 MET H 1 39 MET HB2 2.789 . 3.761 2.756 2.695 2.841 . 0 0 "[ . 1 . 2]" 1
885 1 36 ILE MD 1 39 MET H 3.311 . 4.681 4.827 4.778 4.870 0.189 9 0 "[ . 1 . 2]" 1
886 1 71 ALA HA 1 72 MET H 2.194 . 2.796 2.375 2.252 2.457 . 0 0 "[ . 1 . 2]" 1
887 1 72 MET H 1 72 MET HB2 2.659 . 3.543 3.386 2.646 3.938 0.395 13 0 "[ . 1 . 2]" 1
888 1 71 ALA MB 1 72 MET H 2.439 . 3.183 2.518 2.335 2.827 . 0 0 "[ . 1 . 2]" 1
889 1 48 PRO HA 1 49 GLN H 2.732 . 3.665 3.305 3.264 3.341 . 0 0 "[ . 1 . 2]" 1
890 1 3 THR H 1 3 THR MG 2.940 . 4.021 3.756 3.669 3.794 . 0 0 "[ . 1 . 2]" 1
891 1 3 THR H 1 53 TYR HB3 3.672 . 5.357 5.122 4.995 5.274 . 0 0 "[ . 1 . 2]" 1
892 1 1 MET QG 1 3 THR H 3.562 . 5.148 4.588 4.202 4.949 . 0 0 "[ . 1 . 2]" 1
893 1 3 THR H 1 54 LYS H 3.255 . 4.579 4.403 4.098 4.579 0.000 1 0 "[ . 1 . 2]" 1
894 1 3 THR H 1 4 GLN H 3.402 . 4.848 4.589 4.484 4.628 . 0 0 "[ . 1 . 2]" 1
895 1 4 GLN H 1 54 LYS H 3.436 . 4.912 4.706 4.561 4.842 . 0 0 "[ . 1 . 2]" 1
896 1 3 THR HB 1 4 GLN H 3.697 . 5.405 3.809 3.645 4.069 . 0 0 "[ . 1 . 2]" 1
897 1 4 GLN HE22 1 54 LYS QB 3.866 . 5.734 3.218 1.917 4.247 0.081 2 0 "[ . 1 . 2]" 1
898 1 4 GLN HB2 1 4 GLN HE22 3.311 . 4.681 4.020 3.503 4.982 0.301 15 0 "[ . 1 . 2]" 1
899 1 4 GLN HA 1 4 GLN HE22 2.283 . 2.935 3.076 2.995 3.168 0.233 19 0 "[ . 1 . 2]" 1
900 1 4 GLN HA 1 4 GLN HE21 2.304 . 2.968 2.295 1.552 2.584 0.088 19 0 "[ . 1 . 2]" 1
901 1 4 GLN HB2 1 4 GLN HE21 3.066 . 4.241 2.885 1.884 4.005 0.007 2 0 "[ . 1 . 2]" 1
902 1 4 GLN HE21 1 54 LYS QB 3.582 . 5.186 3.942 1.933 5.289 0.103 4 0 "[ . 1 . 2]" 1
903 1 5 PHE H 1 55 LEU MD1 3.247 . 4.565 3.832 3.541 4.201 . 0 0 "[ . 1 . 2]" 1
904 1 5 PHE H 1 55 LEU HB2 3.051 . 4.215 3.105 2.736 3.486 . 0 0 "[ . 1 . 2]" 1
905 1 5 PHE H 1 55 LEU HA 3.265 . 4.598 3.471 3.118 3.851 . 0 0 "[ . 1 . 2]" 1
906 1 5 PHE H 1 5 PHE QD 2.969 . 4.071 3.544 3.459 3.660 . 0 0 "[ . 1 . 2]" 1
907 1 5 PHE QD 1 6 LYS H 3.180 . 4.444 3.545 3.362 3.732 . 0 0 "[ . 1 . 2]" 1
908 1 5 PHE HB3 1 6 LYS H 2.986 . 4.101 2.442 2.174 2.921 . 0 0 "[ . 1 . 2]" 1
909 1 5 PHE HB2 1 6 LYS H 3.322 . 4.702 3.761 3.569 4.076 . 0 0 "[ . 1 . 2]" 1
910 1 6 LYS H 1 7 THR MG 3.458 . 4.953 4.287 3.911 5.069 0.116 18 0 "[ . 1 . 2]" 1
911 1 6 LYS H 1 55 LEU MD1 3.459 . 4.954 3.739 3.560 4.074 . 0 0 "[ . 1 . 2]" 1
912 1 7 THR H 1 55 LEU MD1 2.891 . 3.935 3.749 3.328 4.018 0.083 1 0 "[ . 1 . 2]" 1
913 1 7 THR H 1 7 THR MG 2.834 . 3.838 3.193 2.974 3.818 . 0 0 "[ . 1 . 2]" 1
914 1 7 THR H 1 10 GLU HB3 2.668 . 3.558 3.600 3.275 3.689 0.131 10 0 "[ . 1 . 2]" 1
915 1 7 THR H 1 10 GLU QG 2.992 . 4.111 3.017 2.194 3.698 . 0 0 "[ . 1 . 2]" 1
916 1 5 PHE HB3 1 7 THR H 3.002 . 4.129 2.942 2.549 3.434 . 0 0 "[ . 1 . 2]" 1
917 1 5 PHE QD 1 7 THR H 3.529 . 5.086 4.519 4.256 4.709 . 0 0 "[ . 1 . 2]" 1
918 1 6 LYS H 1 7 THR H 2.185 . 2.782 1.851 1.722 2.001 . 0 0 "[ . 1 . 2]" 1
919 1 8 ALA H 1 9 SER H 3.417 . 4.876 2.498 2.413 2.625 . 0 0 "[ . 1 . 2]" 1
920 1 8 ALA MB 1 10 GLU H 3.497 . 5.025 4.711 4.619 4.842 . 0 0 "[ . 1 . 2]" 1
921 1 7 THR MG 1 10 GLU H 3.433 . 4.906 4.295 4.037 4.907 0.001 18 0 "[ . 1 . 2]" 1
922 1 9 SER HA 1 10 GLU H 3.388 . 4.823 3.561 3.541 3.586 . 0 0 "[ . 1 . 2]" 1
923 1 10 GLU H 1 11 PHE H 2.592 . 3.432 2.866 2.806 2.919 . 0 0 "[ . 1 . 2]" 1
924 1 11 PHE H 1 12 ASP H 2.411 . 3.138 2.843 2.710 2.917 . 0 0 "[ . 1 . 2]" 1
925 1 5 PHE QD 1 11 PHE H 3.279 . 4.623 4.265 4.140 4.482 . 0 0 "[ . 1 . 2]" 1
926 1 10 GLU HB3 1 11 PHE H 2.676 . 3.571 3.290 3.084 3.402 . 0 0 "[ . 1 . 2]" 1
927 1 11 PHE H 1 63 VAL MG2 3.348 . 4.749 4.772 4.400 4.908 0.159 5 0 "[ . 1 . 2]" 1
928 1 11 PHE H 1 14 ALA MB 3.587 . 5.195 5.096 5.010 5.202 0.007 3 0 "[ . 1 . 2]" 1
929 1 11 PHE HB3 1 12 ASP H 2.560 . 3.379 2.219 2.138 2.285 . 0 0 "[ . 1 . 2]" 1
930 1 9 SER HA 1 12 ASP H 3.100 . 4.301 3.591 3.312 3.751 . 0 0 "[ . 1 . 2]" 1
931 1 12 ASP QB 1 13 SER H 2.458 . 3.213 2.665 2.531 2.859 . 0 0 "[ . 1 . 2]" 1
932 1 14 ALA H 1 15 ILE MD 3.445 . 4.928 4.377 4.228 4.492 . 0 0 "[ . 1 . 2]" 1
933 1 14 ALA H 1 15 ILE HG12 3.605 . 5.230 4.066 3.842 4.221 . 0 0 "[ . 1 . 2]" 1
934 1 11 PHE HA 1 14 ALA H 2.978 . 4.087 3.790 3.720 3.886 . 0 0 "[ . 1 . 2]" 1
935 1 13 SER QB 1 14 ALA H 2.400 . 3.120 2.512 2.365 2.794 . 0 0 "[ . 1 . 2]" 1
936 1 14 ALA H 1 15 ILE H 2.447 . 3.196 2.530 2.399 2.606 . 0 0 "[ . 1 . 2]" 1
937 1 15 ILE H 1 16 ALA H 2.572 . 3.399 2.618 2.379 2.730 . 0 0 "[ . 1 . 2]" 1
938 1 15 ILE MD 1 16 ALA H 3.157 . 4.403 4.393 4.336 4.416 0.013 9 0 "[ . 1 . 2]" 1
939 1 16 ALA H 1 16 ALA MB 2.120 . 2.682 2.241 2.226 2.260 . 0 0 "[ . 1 . 2]" 1
940 1 15 ILE HA 1 16 ALA H 2.837 . 3.843 3.505 3.487 3.520 . 0 0 "[ . 1 . 2]" 1
941 1 14 ALA H 1 16 ALA H 3.020 . 4.160 4.137 4.059 4.183 0.023 16 0 "[ . 1 . 2]" 1
942 1 17 GLN H 1 17 GLN HE21 3.258 . 4.585 3.803 3.554 4.303 . 0 0 "[ . 1 . 2]" 1
943 1 16 ALA H 1 17 GLN H 2.598 . 3.442 2.744 2.588 2.874 . 0 0 "[ . 1 . 2]" 1
944 1 15 ILE HA 1 17 GLN H 2.982 . 4.094 3.651 3.557 3.847 . 0 0 "[ . 1 . 2]" 1
945 1 17 GLN H 1 17 GLN QB 2.491 . 3.093 2.354 2.197 2.943 . 0 0 "[ . 1 . 2]" 1
946 1 16 ALA MB 1 17 GLN H 2.713 . 3.633 3.383 3.260 3.500 . 0 0 "[ . 1 . 2]" 1
947 1 18 ASP H 1 19 LYS HG2 3.622 . 5.262 3.913 3.231 4.973 . 0 0 "[ . 1 . 2]" 1
948 1 17 GLN QB 1 18 ASP H 2.833 . 3.836 2.973 2.354 3.570 . 0 0 "[ . 1 . 2]" 1
949 1 18 ASP H 1 18 ASP HB3 2.758 . 3.709 3.012 2.527 3.628 . 0 0 "[ . 1 . 2]" 1
950 1 18 ASP H 1 18 ASP HB2 2.872 . 3.903 2.757 2.277 3.628 . 0 0 "[ . 1 . 2]" 1
951 1 17 GLN H 1 18 ASP H 3.666 . 5.346 4.565 4.515 4.601 . 0 0 "[ . 1 . 2]" 1
952 1 19 LYS H 1 80 ASN H 2.668 . 3.558 3.274 2.789 3.582 0.024 1 0 "[ . 1 . 2]" 1
953 1 18 ASP H 1 19 LYS H 2.815 . 3.805 3.268 3.004 3.789 . 0 0 "[ . 1 . 2]" 1
954 1 17 GLN QB 1 19 LYS H 2.984 . 4.097 3.060 2.735 3.922 . 0 0 "[ . 1 . 2]" 1
955 1 19 LYS H 1 19 LYS HG2 2.304 . 2.968 2.613 2.259 3.184 0.216 2 0 "[ . 1 . 2]" 1
956 1 19 LYS HA 1 20 LEU H 2.204 . 2.811 2.564 2.450 2.654 . 0 0 "[ . 1 . 2]" 1
957 1 20 LEU H 1 50 ALA HA 3.220 . 4.516 3.749 3.367 4.095 . 0 0 "[ . 1 . 2]" 1
958 1 21 VAL H 1 78 PHE H 2.811 . 3.799 2.816 2.617 3.035 . 0 0 "[ . 1 . 2]" 1
959 1 20 LEU H 1 21 VAL H 3.409 . 4.862 4.431 4.365 4.512 . 0 0 "[ . 1 . 2]" 1
960 1 20 LEU MD1 1 21 VAL H 2.568 . 3.392 2.573 2.359 2.855 . 0 0 "[ . 1 . 2]" 1
961 1 23 VAL H 1 78 PHE QD 3.596 . 5.213 4.394 4.123 4.687 . 0 0 "[ . 1 . 2]" 1
962 1 23 VAL H 1 76 LEU HB3 3.434 . 4.908 4.162 3.758 4.476 . 0 0 "[ . 1 . 2]" 1
963 1 24 ALA H 1 40 ILE MD 3.088 . 4.280 3.792 3.394 4.172 . 0 0 "[ . 1 . 2]" 1
964 1 23 VAL HB 1 24 ALA H 3.571 . 5.165 4.066 3.955 4.189 . 0 0 "[ . 1 . 2]" 1
965 1 23 VAL HA 1 24 ALA H 2.296 . 2.955 2.039 2.011 2.076 . 0 0 "[ . 1 . 2]" 1
966 1 24 ALA H 1 54 LYS H 3.861 . 5.724 4.339 4.241 4.493 . 0 0 "[ . 1 . 2]" 1
967 1 24 ALA H 1 25 PHE H 3.464 . 4.964 4.128 4.032 4.189 . 0 0 "[ . 1 . 2]" 1
968 1 11 PHE QE 1 25 PHE H 3.692 . 5.395 5.496 5.413 5.626 0.231 18 0 "[ . 1 . 2]" 1
969 1 26 TYR H 1 57 VAL QG 2.937 . 4.015 3.207 2.626 3.979 . 0 0 "[ . 1 . 2]" 1
970 1 26 TYR H 1 26 TYR HB3 2.841 . 3.850 3.427 3.255 3.559 . 0 0 "[ . 1 . 2]" 1
971 1 25 PHE HB3 1 26 TYR H 3.649 . 5.313 3.577 3.143 4.020 . 0 0 "[ . 1 . 2]" 1
972 1 26 TYR H 1 56 ASP HA 3.142 . 4.376 3.044 2.520 3.504 . 0 0 "[ . 1 . 2]" 1
973 1 25 PHE H 1 26 TYR H 3.388 . 4.823 4.371 4.205 4.522 . 0 0 "[ . 1 . 2]" 1
974 1 26 TYR HB2 1 27 ALA H 2.384 . 3.094 2.148 1.918 2.508 . 0 0 "[ . 1 . 2]" 1
975 1 27 ALA MB 1 28 THR H 2.818 . 3.810 2.971 2.812 3.148 . 0 0 "[ . 1 . 2]" 1
976 1 28 THR H 1 58 ASP HB2 3.639 . 5.294 2.838 2.070 3.188 . 0 0 "[ . 1 . 2]" 1
977 1 28 THR HA 1 29 TRP H 3.232 . 4.538 3.456 3.429 3.490 . 0 0 "[ . 1 . 2]" 1
978 1 29 TRP H 1 29 TRP HB2 2.981 . 4.092 3.644 3.617 3.665 . 0 0 "[ . 1 . 2]" 1
979 1 28 THR MG 1 29 TRP H 3.579 . 5.180 4.265 4.180 4.395 . 0 0 "[ . 1 . 2]" 1
980 1 27 ALA MB 1 29 TRP H 2.737 . 3.673 2.734 2.608 2.867 . 0 0 "[ . 1 . 2]" 1
981 1 27 ALA MB 1 30 CYS H 3.022 . 4.163 2.774 2.585 2.900 . 0 0 "[ . 1 . 2]" 1
982 1 30 CYS H 1 30 CYS HB3 2.865 . 3.891 2.535 2.355 3.579 . 0 0 "[ . 1 . 2]" 1
983 1 30 CYS H 1 30 CYS HB2 2.818 . 3.811 2.732 2.332 3.681 . 0 0 "[ . 1 . 2]" 1
984 1 27 ALA H 1 30 CYS H 3.540 . 5.106 4.150 4.033 4.249 . 0 0 "[ . 1 . 2]" 1
985 1 36 ILE HB 1 37 ALA H 3.102 . 4.305 3.213 3.160 3.265 . 0 0 "[ . 1 . 2]" 1
986 1 37 ALA MB 1 39 MET H 3.493 . 5.018 4.401 4.295 4.476 . 0 0 "[ . 1 . 2]" 1
987 1 39 MET H 1 40 ILE H 2.507 . 3.293 2.508 2.418 2.616 . 0 0 "[ . 1 . 2]" 1
988 1 40 ILE H 1 41 GLU H 2.585 . 3.420 2.506 2.407 2.633 . 0 0 "[ . 1 . 2]" 1
989 1 38 PRO HA 1 40 ILE H 3.386 . 4.819 4.438 4.275 4.673 . 0 0 "[ . 1 . 2]" 1
990 1 2 VAL MG2 1 41 GLU H 3.106 . 4.312 3.330 3.034 3.590 . 0 0 "[ . 1 . 2]" 1
991 1 40 ILE HB 1 41 GLU H 2.300 . 2.961 3.091 2.998 3.183 0.222 1 0 "[ . 1 . 2]" 1
992 1 42 LYS H 1 42 LYS QB 2.059 . 2.589 2.261 2.212 2.365 . 0 0 "[ . 1 . 2]" 1
993 1 42 LYS QB 1 43 PHE H 2.416 . 3.146 2.780 2.606 3.000 . 0 0 "[ . 1 . 2]" 1
994 1 43 PHE H 1 43 PHE QD 2.976 . 4.083 2.991 2.579 3.210 . 0 0 "[ . 1 . 2]" 1
995 1 42 LYS H 1 43 PHE H 2.612 . 3.465 2.573 2.463 2.689 . 0 0 "[ . 1 . 2]" 1
996 1 43 PHE H 1 44 SER H 2.548 . 3.360 2.940 2.763 3.067 . 0 0 "[ . 1 . 2]" 1
997 1 46 GLN HB2 1 47 TYR H 2.945 . 4.029 2.569 2.321 3.999 . 0 0 "[ . 1 . 2]" 1
998 1 47 TYR H 1 47 TYR HB3 2.512 . 3.300 3.389 3.346 3.430 0.130 19 0 "[ . 1 . 2]" 1
999 1 46 GLN HA 1 47 TYR H 3.025 . 4.168 3.542 3.525 3.574 . 0 0 "[ . 1 . 2]" 1
1000 1 45 GLU H 1 47 TYR H 3.074 . 4.255 3.996 3.910 4.144 . 0 0 "[ . 1 . 2]" 1
1001 1 44 SER H 1 47 TYR H 3.352 . 4.757 4.495 4.401 4.556 . 0 0 "[ . 1 . 2]" 1
1002 1 12 ASP H 1 15 ILE HG13 3.723 . 5.456 5.013 4.864 5.261 . 0 0 "[ . 1 . 2]" 1
1003 1 12 ASP QB 1 14 ALA H 3.809 . 5.622 4.869 4.649 5.015 . 0 0 "[ . 1 . 2]" 1
1004 1 17 GLN H 1 81 GLY HA2 3.787 . 5.579 5.224 4.941 5.469 . 0 0 "[ . 1 . 2]" 1
1005 1 28 THR H 1 29 TRP H 2.743 . 3.683 2.675 2.550 2.765 . 0 0 "[ . 1 . 2]" 1
1006 1 28 THR HA 1 30 CYS H 3.732 . 5.473 3.708 3.545 3.905 . 0 0 "[ . 1 . 2]" 1
1007 1 26 TYR QD 1 37 ALA H 3.560 . 5.144 5.207 5.088 5.316 0.172 18 0 "[ . 1 . 2]" 1
1008 1 39 MET H 1 41 GLU H 3.152 . 4.394 3.952 3.767 4.087 . 0 0 "[ . 1 . 2]" 1
1009 1 39 MET HA 1 43 PHE H 3.173 . 4.432 4.491 4.455 4.530 0.098 1 0 "[ . 1 . 2]" 1
1010 1 44 SER H 1 44 SER HA 2.482 . 3.252 2.885 2.862 2.905 . 0 0 "[ . 1 . 2]" 1
1011 1 43 PHE QD 1 44 SER H 3.242 . 4.556 3.642 2.724 4.235 . 0 0 "[ . 1 . 2]" 1
1012 1 43 PHE HA 1 45 GLU H 3.353 . 4.758 4.259 4.172 4.383 . 0 0 "[ . 1 . 2]" 1
1013 1 49 GLN H 1 50 ALA MB 3.252 . 4.574 4.337 4.132 4.398 . 0 0 "[ . 1 . 2]" 1
1014 1 49 GLN H 1 50 ALA H 2.320 . 2.993 2.617 2.431 2.680 . 0 0 "[ . 1 . 2]" 1
1015 1 50 ALA H 1 50 ALA HA 2.530 . 3.330 2.941 2.934 2.952 . 0 0 "[ . 1 . 2]" 1
1016 1 48 PRO HA 1 50 ALA H 3.026 . 4.170 3.362 3.204 3.473 . 0 0 "[ . 1 . 2]" 1
1017 1 44 SER HA 1 50 ALA H 3.046 . 4.206 4.291 4.207 4.408 0.202 14 0 "[ . 1 . 2]" 1
1018 1 49 GLN QG 1 50 ALA H 3.372 . 4.793 3.170 2.302 3.953 . 0 0 "[ . 1 . 2]" 1
1019 1 50 ALA H 1 50 ALA MB 2.190 . 2.790 2.331 2.317 2.345 . 0 0 "[ . 1 . 2]" 1
1020 1 20 LEU MD1 1 51 ASP H 3.462 . 4.960 3.886 3.701 4.157 . 0 0 "[ . 1 . 2]" 1
1021 1 50 ALA MB 1 51 ASP H 2.321 . 2.994 2.552 2.442 2.738 . 0 0 "[ . 1 . 2]" 1
1022 1 19 LYS HB2 1 51 ASP H 3.467 . 4.969 4.608 4.302 4.990 0.021 18 0 "[ . 1 . 2]" 1
1023 1 22 VAL H 1 51 ASP H 3.078 . 4.262 3.459 3.252 3.745 . 0 0 "[ . 1 . 2]" 1
1024 1 52 PHE H 1 53 TYR H 3.389 . 4.825 4.281 4.174 4.371 . 0 0 "[ . 1 . 2]" 1
1025 1 52 PHE H 1 52 PHE HB3 2.596 . 3.439 3.282 3.108 3.405 . 0 0 "[ . 1 . 2]" 1
1026 1 2 VAL MG1 1 52 PHE H 3.440 . 4.919 4.555 4.415 4.700 . 0 0 "[ . 1 . 2]" 1
1027 1 2 VAL MG1 1 53 TYR H 3.033 . 4.183 2.718 2.611 2.790 . 0 0 "[ . 1 . 2]" 1
1028 1 24 ALA MB 1 53 TYR H 3.165 . 4.417 4.259 3.993 4.438 0.021 9 0 "[ . 1 . 2]" 1
1029 1 53 TYR H 1 53 TYR HB2 2.763 . 3.717 2.800 2.766 2.837 . 0 0 "[ . 1 . 2]" 1
1030 1 52 PHE HB2 1 53 TYR H 3.038 . 4.191 3.680 3.636 3.738 . 0 0 "[ . 1 . 2]" 1
1031 1 52 PHE HB3 1 53 TYR H 3.450 . 4.938 4.143 4.076 4.190 . 0 0 "[ . 1 . 2]" 1
1032 1 23 VAL HA 1 53 TYR H 2.923 . 3.991 3.076 2.875 3.205 . 0 0 "[ . 1 . 2]" 1
1033 1 53 TYR H 1 53 TYR HA 2.905 . 3.960 2.928 2.917 2.939 . 0 0 "[ . 1 . 2]" 1
1034 1 53 TYR H 1 54 LYS H 3.652 . 5.319 4.390 4.324 4.420 . 0 0 "[ . 1 . 2]" 1
1035 1 22 VAL H 1 53 TYR H 3.033 . 4.183 4.204 4.084 4.350 0.167 15 0 "[ . 1 . 2]" 1
1036 1 53 TYR QD 1 54 LYS H 3.282 . 4.628 3.700 3.537 3.866 . 0 0 "[ . 1 . 2]" 1
1037 1 4 GLN HA 1 54 LYS H 2.706 . 3.621 2.952 2.715 3.170 . 0 0 "[ . 1 . 2]" 1
1038 1 5 PHE HB2 1 54 LYS H 3.570 . 5.163 4.649 4.344 4.868 . 0 0 "[ . 1 . 2]" 1
1039 1 53 TYR HB3 1 54 LYS H 2.547 . 3.358 2.680 2.490 2.997 . 0 0 "[ . 1 . 2]" 1
1040 1 54 LYS H 1 54 LYS QB 2.995 . 4.116 2.812 2.337 3.124 . 0 0 "[ . 1 . 2]" 1
1041 1 2 VAL MG1 1 54 LYS H 2.739 . 3.677 2.981 2.620 3.223 . 0 0 "[ . 1 . 2]" 1
1042 1 56 ASP H 1 60 LEU H 3.373 . 4.795 4.627 4.376 4.814 0.019 12 0 "[ . 1 . 2]" 1
1043 1 56 ASP H 1 56 ASP HA 2.986 . 4.100 2.921 2.910 2.935 . 0 0 "[ . 1 . 2]" 1
1044 1 55 LEU HA 1 56 ASP H 2.257 . 2.894 2.259 2.207 2.314 . 0 0 "[ . 1 . 2]" 1
1045 1 55 LEU HG 1 56 ASP H 2.880 . 3.917 2.305 2.144 2.539 . 0 0 "[ . 1 . 2]" 1
1046 1 55 LEU MD2 1 56 ASP H 2.933 . 4.009 2.815 2.572 3.004 . 0 0 "[ . 1 . 2]" 1
1047 1 58 ASP H 1 58 ASP HA 2.585 . 3.420 2.822 2.761 2.846 . 0 0 "[ . 1 . 2]" 1
1048 1 56 ASP HA 1 58 ASP H 3.345 . 4.744 3.594 3.340 3.711 . 0 0 "[ . 1 . 2]" 1
1049 1 57 VAL HA 1 58 ASP H 3.287 . 4.638 3.426 3.363 3.493 . 0 0 "[ . 1 . 2]" 1
1050 1 56 ASP QB 1 58 ASP H 3.305 . 4.670 3.143 2.529 3.966 . 0 0 "[ . 1 . 2]" 1
1051 1 58 ASP H 1 59 GLU H 2.262 . 2.902 2.588 2.450 2.820 . 0 0 "[ . 1 . 2]" 1
1052 1 82 LYS H 1 82 LYS HA 2.474 . 3.239 2.943 2.924 2.951 . 0 0 "[ . 1 . 2]" 1
1053 1 57 VAL HA 1 59 GLU H 3.346 . 4.745 4.064 3.781 4.407 . 0 0 "[ . 1 . 2]" 1
1054 1 58 ASP H 1 60 LEU H 3.235 . 4.543 3.927 3.645 4.125 . 0 0 "[ . 1 . 2]" 1
1055 1 60 LEU H 1 61 GLY H 2.809 . 3.795 3.589 3.377 3.796 0.001 1 0 "[ . 1 . 2]" 1
1056 1 59 GLU HA 1 60 LEU H 3.126 . 4.348 3.557 3.539 3.583 . 0 0 "[ . 1 . 2]" 1
1057 1 61 GLY H 1 63 VAL MG2 3.684 . 5.381 4.755 4.540 4.971 . 0 0 "[ . 1 . 2]" 1
1058 1 61 GLY H 1 63 VAL H 3.289 . 4.641 4.036 3.853 4.196 . 0 0 "[ . 1 . 2]" 1
1059 1 61 GLY H 1 62 ASP H 2.814 . 3.804 2.572 2.488 2.675 . 0 0 "[ . 1 . 2]" 1
1060 1 62 ASP H 1 63 VAL H 2.759 . 3.710 2.565 2.481 2.704 . 0 0 "[ . 1 . 2]" 1
1061 1 61 GLY HA2 1 62 ASP H 3.177 . 4.439 3.522 3.464 3.554 . 0 0 "[ . 1 . 2]" 1
1062 1 61 GLY HA3 1 62 ASP H 3.297 . 4.655 2.873 2.735 2.988 . 0 0 "[ . 1 . 2]" 1
1063 1 62 ASP H 1 62 ASP HB2 2.806 . 3.791 2.874 2.428 3.637 . 0 0 "[ . 1 . 2]" 1
1064 1 62 ASP H 1 63 VAL HB 3.675 . 5.363 4.825 4.652 4.977 . 0 0 "[ . 1 . 2]" 1
1065 1 60 LEU HB3 1 62 ASP H 3.442 . 4.923 4.334 4.135 4.596 . 0 0 "[ . 1 . 2]" 1
1066 1 62 ASP H 1 63 VAL MG2 3.373 . 4.796 3.937 3.758 4.117 . 0 0 "[ . 1 . 2]" 1
1067 1 63 VAL H 1 63 VAL MG2 2.148 . 2.725 2.098 1.966 2.211 . 0 0 "[ . 1 . 2]" 1
1068 1 94 ALA H 1 94 ALA MB 2.053 . 2.580 2.247 2.232 2.268 . 0 0 "[ . 1 . 2]" 1
1069 1 62 ASP HB2 1 63 VAL H 3.134 . 4.362 3.655 2.750 4.112 . 0 0 "[ . 1 . 2]" 1
1070 1 61 GLY HA3 1 63 VAL H 3.405 . 4.854 4.522 4.363 4.641 . 0 0 "[ . 1 . 2]" 1
1071 1 64 ALA H 1 65 GLN H 2.507 . 3.293 2.811 2.721 2.886 . 0 0 "[ . 1 . 2]" 1
1072 1 64 ALA H 1 66 LYS H 3.433 . 4.906 4.158 4.076 4.240 . 0 0 "[ . 1 . 2]" 1
1073 1 63 VAL HA 1 64 ALA H 3.181 . 4.446 3.579 3.565 3.594 . 0 0 "[ . 1 . 2]" 1
1074 1 63 VAL HB 1 64 ALA H 2.452 . 3.203 2.346 2.284 2.418 . 0 0 "[ . 1 . 2]" 1
1075 1 63 VAL MG2 1 64 ALA H 2.941 . 4.022 3.725 3.582 3.815 . 0 0 "[ . 1 . 2]" 1
1076 1 64 ALA H 1 69 VAL QG 2.940 . 4.020 4.090 4.036 4.166 0.146 19 0 "[ . 1 . 2]" 1
1077 1 63 VAL HB 1 65 GLN H 3.288 . 4.640 4.773 4.676 4.836 0.196 1 0 "[ . 1 . 2]" 1
1078 1 64 ALA MB 1 65 GLN H 2.437 . 3.179 2.636 2.482 2.957 . 0 0 "[ . 1 . 2]" 1
1079 1 65 GLN H 1 69 VAL QG 3.633 . 5.283 4.407 4.259 4.837 . 0 0 "[ . 1 . 2]" 1
1080 1 65 GLN H 1 66 LYS H 2.520 . 3.314 2.460 2.235 2.567 . 0 0 "[ . 1 . 2]" 1
1081 1 65 GLN QB 1 66 LYS H 2.381 . 3.090 2.815 2.605 3.303 0.213 13 0 "[ . 1 . 2]" 1
1082 1 66 LYS H 1 66 LYS HB3 2.217 . 2.831 2.025 1.979 2.126 . 0 0 "[ . 1 . 2]" 1
1083 1 66 LYS H 1 69 VAL QG 3.560 . 5.144 4.942 4.742 5.156 0.012 17 0 "[ . 1 . 2]" 1
1084 1 67 ASN H 1 69 VAL QG 2.999 . 4.124 3.465 3.266 3.762 . 0 0 "[ . 1 . 2]" 1
1085 1 67 ASN H 1 67 ASN HB2 2.729 . 3.660 2.820 2.540 3.564 . 0 0 "[ . 1 . 2]" 1
1086 1 67 ASN H 1 67 ASN QD 2.961 . 3.378 3.235 3.178 3.305 . 0 0 "[ . 1 . 2]" 1
1087 1 66 LYS H 1 67 ASN H 2.478 . 3.246 2.621 2.466 2.718 . 0 0 "[ . 1 . 2]" 1
1088 1 67 ASN H 1 68 GLU H 2.334 . 3.015 2.039 1.984 2.091 . 0 0 "[ . 1 . 2]" 1
1089 1 65 GLN H 1 67 ASN H 3.574 . 5.170 3.900 3.791 3.977 . 0 0 "[ . 1 . 2]" 1
1090 1 33 CYS HA 1 34 LYS H 2.817 . 3.809 3.459 3.426 3.491 . 0 0 "[ . 1 . 2]" 1
1091 1 67 ASN H 1 69 VAL H 3.128 . 4.351 3.357 3.259 3.700 . 0 0 "[ . 1 . 2]" 1
1092 1 69 VAL QG 1 70 SER H 3.557 . 5.139 2.896 2.535 3.105 . 0 0 "[ . 1 . 2]" 1
1093 1 69 VAL QG 1 71 ALA H 3.014 . 4.149 2.999 2.284 3.443 . 0 0 "[ . 1 . 2]" 1
1094 1 71 ALA H 1 71 ALA MB 2.539 . 3.345 2.324 2.255 2.474 . 0 0 "[ . 1 . 2]" 1
1095 1 69 VAL HA 1 71 ALA H 3.263 . 4.594 3.539 3.304 3.855 . 0 0 "[ . 1 . 2]" 1
1096 1 70 SER H 1 71 ALA H 2.798 . 3.777 1.906 1.792 2.026 0.027 4 0 "[ . 1 . 2]" 1
1097 1 71 ALA H 1 72 MET H 3.619 . 5.256 4.554 4.461 4.610 . 0 0 "[ . 1 . 2]" 1
1098 1 25 PHE HB3 1 74 THR H 3.044 . 4.202 3.868 3.139 4.142 . 0 0 "[ . 1 . 2]" 1
1099 1 74 THR H 1 75 LEU H 3.569 . 5.162 4.304 4.178 4.419 . 0 0 "[ . 1 . 2]" 1
1100 1 75 LEU H 1 87 VAL HA 3.542 . 5.110 4.693 4.593 4.824 . 0 0 "[ . 1 . 2]" 1
1101 1 76 LEU H 1 77 LEU MD1 3.182 . 4.448 3.510 3.373 3.598 . 0 0 "[ . 1 . 2]" 1
1102 1 76 LEU H 1 76 LEU HB3 3.134 . 4.362 3.355 3.134 3.515 . 0 0 "[ . 1 . 2]" 1
1103 1 11 PHE QE 1 76 LEU H 3.492 . 5.016 5.060 5.012 5.133 0.117 17 0 "[ . 1 . 2]" 1
1104 1 23 VAL H 1 76 LEU H 2.689 . 3.593 3.106 2.741 3.411 . 0 0 "[ . 1 . 2]" 1
1105 1 77 LEU H 1 85 ALA HA 3.349 . 4.751 4.823 4.756 4.855 0.104 6 0 "[ . 1 . 2]" 1
1106 1 77 LEU HB3 1 78 PHE H 2.964 . 4.062 3.234 3.130 3.357 . 0 0 "[ . 1 . 2]" 1
1107 1 77 LEU HG 1 78 PHE H 3.188 . 4.458 4.402 4.231 4.470 0.012 16 0 "[ . 1 . 2]" 1
1108 1 78 PHE H 1 78 PHE HB2 2.626 . 3.488 2.589 2.535 2.641 . 0 0 "[ . 1 . 2]" 1
1109 1 20 LEU HA 1 78 PHE H 3.207 . 4.493 4.440 4.245 4.526 0.033 6 0 "[ . 1 . 2]" 1
1110 1 78 PHE H 1 78 PHE QD 2.698 . 3.608 3.122 2.972 3.362 . 0 0 "[ . 1 . 2]" 1
1111 1 78 PHE H 1 85 ALA H 3.745 . 5.498 5.024 4.924 5.093 . 0 0 "[ . 1 . 2]" 1
1112 1 77 LEU H 1 78 PHE H 3.738 . 5.485 4.458 4.422 4.497 . 0 0 "[ . 1 . 2]" 1
1113 1 78 PHE QD 1 79 LYS H 3.307 . 4.674 3.580 3.401 3.677 . 0 0 "[ . 1 . 2]" 1
1114 1 79 LYS H 1 79 LYS HA 2.638 . 3.508 2.946 2.929 2.967 . 0 0 "[ . 1 . 2]" 1
1115 1 79 LYS H 1 83 GLU HA 3.130 . 4.355 3.418 3.315 3.540 . 0 0 "[ . 1 . 2]" 1
1116 1 79 LYS H 1 79 LYS HB3 2.578 . 3.409 2.996 2.772 3.554 0.145 17 0 "[ . 1 . 2]" 1
1117 1 79 LYS H 1 84 VAL MG2 2.852 . 3.869 2.877 2.595 3.041 . 0 0 "[ . 1 . 2]" 1
1118 1 78 PHE H 1 79 LYS H 3.700 . 5.412 4.465 4.443 4.487 . 0 0 "[ . 1 . 2]" 1
1119 1 82 LYS HA 1 83 GLU H 1.985 . 2.478 2.401 2.364 2.442 . 0 0 "[ . 1 . 2]" 1
1120 1 80 ASN H 1 80 ASN QB 3.143 . 3.998 2.988 2.865 3.461 . 0 0 "[ . 1 . 2]" 1
1121 1 79 LYS HB3 1 80 ASN H 2.987 . 4.102 4.079 3.792 4.219 0.117 14 0 "[ . 1 . 2]" 1
1122 1 81 GLY H 1 82 LYS H 2.598 . 3.442 2.612 2.503 2.705 . 0 0 "[ . 1 . 2]" 1
1123 1 17 GLN H 1 81 GLY H 3.501 . 5.033 3.999 3.754 4.225 . 0 0 "[ . 1 . 2]" 1
1124 1 80 ASN QB 1 81 GLY H 3.530 . 5.088 4.006 3.900 4.088 . 0 0 "[ . 1 . 2]" 1
1125 1 78 PHE HB2 1 81 GLY H 3.431 . 4.903 4.932 4.804 4.984 0.081 14 0 "[ . 1 . 2]" 1
1126 1 16 ALA MB 1 81 GLY H 3.400 . 4.845 4.303 4.063 4.474 . 0 0 "[ . 1 . 2]" 1
1127 1 15 ILE HG13 1 81 GLY H 3.836 . 5.675 5.626 5.446 5.707 0.032 2 0 "[ . 1 . 2]" 1
1128 1 82 LYS H 1 82 LYS HB2 2.309 . 2.975 3.035 2.628 3.841 0.866 5 6 "[* -*+ * 1 . * 2]" 1
1129 1 81 GLY HA3 1 82 LYS H 2.986 . 4.101 3.288 3.220 3.373 . 0 0 "[ . 1 . 2]" 1
1130 1 78 PHE HA 1 82 LYS H 3.459 . 4.954 4.900 4.699 4.991 0.037 8 0 "[ . 1 . 2]" 1
1131 1 79 LYS H 1 82 LYS H 2.398 . 3.117 3.231 3.184 3.287 0.170 17 0 "[ . 1 . 2]" 1
1132 1 28 THR H 1 59 GLU H 3.339 . 4.732 4.782 4.670 4.868 0.136 14 0 "[ . 1 . 2]" 1
1133 1 83 GLU H 1 84 VAL H 3.258 . 4.585 4.579 4.554 4.602 0.017 5 0 "[ . 1 . 2]" 1
1134 1 82 LYS H 1 83 GLU H 3.341 . 4.737 4.438 4.391 4.480 . 0 0 "[ . 1 . 2]" 1
1135 1 78 PHE QD 1 83 GLU H 3.187 . 4.456 3.401 3.244 3.570 . 0 0 "[ . 1 . 2]" 1
1136 1 79 LYS H 1 84 VAL H 3.175 . 4.435 4.319 4.212 4.425 . 0 0 "[ . 1 . 2]" 1
1137 1 77 LEU H 1 84 VAL H 3.588 . 5.197 4.349 4.234 4.451 . 0 0 "[ . 1 . 2]" 1
1138 1 78 PHE QD 1 84 VAL H 3.506 . 5.043 4.582 4.452 4.693 . 0 0 "[ . 1 . 2]" 1
1139 1 84 VAL MG2 1 85 ALA H 2.438 . 3.181 2.305 2.211 2.466 . 0 0 "[ . 1 . 2]" 1
1140 1 76 LEU QD 1 85 ALA H 3.014 . 4.149 3.973 3.579 4.160 0.011 3 0 "[ . 1 . 2]" 1
1141 1 83 GLU HG2 1 85 ALA H 2.445 . 3.192 2.408 2.178 2.561 . 0 0 "[ . 1 . 2]" 1
1142 1 84 VAL HB 1 85 ALA H 3.214 . 4.506 3.599 3.493 3.721 . 0 0 "[ . 1 . 2]" 1
1143 1 76 LEU HA 1 85 ALA H 3.524 . 5.077 5.102 4.927 5.173 0.096 5 0 "[ . 1 . 2]" 1
1144 1 78 PHE HA 1 85 ALA H 3.300 . 4.661 3.995 3.823 4.106 . 0 0 "[ . 1 . 2]" 1
1145 1 77 LEU H 1 85 ALA H 2.691 . 3.596 3.366 3.299 3.419 . 0 0 "[ . 1 . 2]" 1
1146 1 84 VAL H 1 85 ALA H 2.109 . 2.665 1.681 1.597 1.734 . 0 0 "[ . 1 . 2]" 1
1147 1 86 LYS H 1 87 VAL H 3.134 . 4.362 4.212 3.959 4.352 . 0 0 "[ . 1 . 2]" 1
1148 1 85 ALA H 1 86 LYS H 3.128 . 4.351 4.283 4.153 4.321 . 0 0 "[ . 1 . 2]" 1
1149 1 85 ALA MB 1 86 LYS H 2.466 . 3.226 2.617 2.406 2.966 . 0 0 "[ . 1 . 2]" 1
1150 1 75 LEU H 1 87 VAL H 2.682 . 3.581 2.993 2.871 3.168 . 0 0 "[ . 1 . 2]" 1
1151 1 75 LEU HB2 1 87 VAL H 2.638 . 3.508 2.865 2.562 3.377 . 0 0 "[ . 1 . 2]" 1
1152 1 74 THR MG 1 87 VAL H 2.468 . 3.229 3.329 3.278 3.385 0.156 18 0 "[ . 1 . 2]" 1
1153 1 75 LEU HA 1 87 VAL H 3.576 . 5.174 4.662 4.523 4.909 . 0 0 "[ . 1 . 2]" 1
1154 1 75 LEU H 1 88 VAL H 3.662 . 5.339 4.755 4.630 4.851 . 0 0 "[ . 1 . 2]" 1
1155 1 88 VAL H 1 89 GLY H 3.338 . 4.731 3.296 2.977 3.561 . 0 0 "[ . 1 . 2]" 1
1156 1 75 LEU MD1 1 89 GLY H 2.539 . 3.345 2.501 2.238 2.662 . 0 0 "[ . 1 . 2]" 1
1157 1 89 GLY H 1 90 ALA MB 3.414 . 4.871 5.041 4.969 5.092 0.221 11 0 "[ . 1 . 2]" 1
1158 1 89 GLY H 1 89 GLY HA2 2.527 . 3.325 2.752 2.679 2.806 . 0 0 "[ . 1 . 2]" 1
1159 1 87 VAL HA 1 89 GLY H 3.080 . 4.266 4.318 4.263 4.392 0.126 16 0 "[ . 1 . 2]" 1
1160 1 75 LEU H 1 89 GLY H 3.433 . 4.907 3.588 3.270 3.818 . 0 0 "[ . 1 . 2]" 1
1161 1 89 GLY HA2 1 90 ALA H 3.790 . 5.585 2.134 2.100 2.191 . 0 0 "[ . 1 . 2]" 1
1162 1 91 ASN H 1 91 ASN HB3 2.416 . 3.146 3.060 2.872 3.203 0.057 3 0 "[ . 1 . 2]" 1
1163 1 35 MET ME 1 91 ASN H 3.370 . 4.790 4.686 4.475 4.823 0.033 9 0 "[ . 1 . 2]" 1
1164 1 90 ALA MB 1 91 ASN H 2.920 . 3.986 3.360 3.150 3.488 . 0 0 "[ . 1 . 2]" 1
1165 1 94 ALA H 1 95 ILE H 2.272 . 2.917 2.625 2.465 2.728 . 0 0 "[ . 1 . 2]" 1
1166 1 91 ASN HB3 1 94 ALA H 3.085 . 4.274 3.381 3.179 3.695 . 0 0 "[ . 1 . 2]" 1
1167 1 93 ALA HA 1 96 LYS H 2.955 . 4.047 3.456 3.120 3.670 . 0 0 "[ . 1 . 2]" 1
1168 1 95 ILE H 1 96 LYS H 2.411 . 3.137 2.456 2.317 2.576 . 0 0 "[ . 1 . 2]" 1
1169 1 96 LYS QB 1 97 GLN H 2.258 . 2.896 2.753 2.356 2.906 0.010 19 0 "[ . 1 . 2]" 1
1170 1 94 ALA HA 1 97 GLN H 2.660 . 3.545 3.500 3.323 3.568 0.023 18 0 "[ . 1 . 2]" 1
1171 1 96 LYS H 1 97 GLN H 2.436 . 3.178 2.617 2.554 2.700 . 0 0 "[ . 1 . 2]" 1
1172 1 97 GLN H 1 98 ALA H 2.303 . 2.966 2.510 2.357 2.660 . 0 0 "[ . 1 . 2]" 1
1173 1 95 ILE MG 1 98 ALA H 3.029 . 4.176 4.041 3.831 4.267 0.091 6 0 "[ . 1 . 2]" 1
1174 1 99 ILE H 1 102 ASN QD 3.433 . 4.643 3.626 3.276 3.802 . 0 0 "[ . 1 . 2]" 1
1175 1 98 ALA H 1 99 ILE H 2.409 . 3.134 2.678 2.521 2.798 . 0 0 "[ . 1 . 2]" 1
1176 1 99 ILE MD 1 100 ALA H 2.982 . 4.093 4.192 4.114 4.221 0.128 17 0 "[ . 1 . 2]" 1
1177 1 99 ILE H 1 100 ALA H 2.406 . 3.129 2.797 2.740 2.894 . 0 0 "[ . 1 . 2]" 1
1178 1 100 ALA H 1 101 ALA H 2.495 . 3.273 2.500 2.415 2.603 . 0 0 "[ . 1 . 2]" 1
1179 1 34 LYS H 1 35 MET H 2.968 . 4.069 2.672 2.622 2.718 . 0 0 "[ . 1 . 2]" 1
1180 1 101 ALA H 1 102 ASN H 2.380 . 3.088 2.397 2.162 2.545 . 0 0 "[ . 1 . 2]" 1
1181 1 101 ALA H 1 102 ASN HB2 3.366 . 4.782 4.970 4.592 5.717 0.935 16 5 "[ *-. * .+ *]" 1
1182 1 101 ALA H 1 101 ALA MB 1.993 . 2.489 2.260 2.238 2.296 . 0 0 "[ . 1 . 2]" 1
1183 1 102 ASN H 1 103 ALA H 2.056 . 2.584 2.359 2.182 2.466 . 0 0 "[ . 1 . 2]" 1
1184 1 102 ASN HB2 1 103 ALA H 3.373 . 4.795 3.350 3.062 3.995 . 0 0 "[ . 1 . 2]" 1
1185 1 102 ASN HB3 1 103 ALA H 3.007 . 4.137 4.151 3.974 4.456 0.319 20 0 "[ . 1 . 2]" 1
1186 1 20 LEU MD2 1 103 ALA H 3.638 . 5.292 3.552 3.312 3.961 . 0 0 "[ . 1 . 2]" 1
1187 1 97 GLN HE21 1 101 ALA MB 3.316 . 4.690 3.774 2.694 5.178 0.488 6 0 "[ . 1 . 2]" 1
1188 1 80 ASN QB 1 80 ASN HD22 2.803 . 3.785 3.248 3.178 3.299 . 0 0 "[ . 1 . 2]" 1
1189 1 99 ILE MG 1 102 ASN QD 3.155 . 4.399 4.360 4.169 4.468 0.069 5 0 "[ . 1 . 2]" 1
1190 1 11 PHE QE 1 67 ASN QD 2.821 . 3.739 3.001 2.597 3.218 . 0 0 "[ . 1 . 2]" 1
1191 1 67 ASN HB3 1 67 ASN QD 3.045 . 3.558 2.767 2.120 2.951 . 0 0 "[ . 1 . 2]" 1
1192 1 102 ASN HA 1 102 ASN QD 3.438 . 4.916 3.729 3.667 3.763 . 0 0 "[ . 1 . 2]" 1
1193 1 67 ASN HB2 1 67 ASN QD 3.087 . 4.279 2.226 2.026 2.947 . 0 0 "[ . 1 . 2]" 1
1194 1 79 LYS HB3 1 80 ASN HD21 3.481 . 4.996 4.560 2.925 5.787 0.791 6 3 "[ .+- 1 * . 2]" 1
1195 1 80 ASN QB 1 80 ASN HD21 2.985 . 4.099 2.161 2.073 2.243 . 0 0 "[ . 1 . 2]" 1
1196 1 14 ALA MB 1 17 GLN HE21 2.635 . 3.503 3.445 2.840 3.625 0.122 18 0 "[ . 1 . 2]" 1
1197 1 17 GLN QB 1 17 GLN HE21 3.043 . 4.200 2.094 1.768 3.743 0.118 5 0 "[ . 1 . 2]" 1
1198 1 49 GLN HB3 1 49 GLN QE 3.253 . 4.575 3.425 1.721 4.337 0.210 7 0 "[ . 1 . 2]" 1
1199 1 14 ALA HA 1 17 GLN HE21 2.889 . 3.932 3.222 2.375 3.686 . 0 0 "[ . 1 . 2]" 1
1200 1 91 ASN HD21 1 94 ALA MB 3.400 . 4.845 4.038 3.118 4.639 . 0 0 "[ . 1 . 2]" 1
1201 1 91 ASN HB3 1 91 ASN HD21 3.175 . 4.435 3.255 2.946 3.502 . 0 0 "[ . 1 . 2]" 1
1202 1 97 GLN HE22 1 101 ALA MB 3.553 . 5.131 4.578 2.668 5.219 0.088 12 0 "[ . 1 . 2]" 1
1203 1 41 GLU HA 1 42 LYS H 3.175 . 4.435 3.455 3.401 3.532 . 0 0 "[ . 1 . 2]" 1
1204 1 66 LYS HB3 1 67 ASN QD 3.424 . 4.890 4.090 3.920 4.485 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 57
_Distance_constraint_stats_list.Viol_count 306
_Distance_constraint_stats_list.Viol_total 677.450
_Distance_constraint_stats_list.Viol_max 0.776
_Distance_constraint_stats_list.Viol_rms 0.0978
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0297
_Distance_constraint_stats_list.Viol_average_violations_only 0.1107
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 1.536 0.132 14 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PHE 1.536 0.132 14 0 "[ . 1 . 2]"
1 12 ASP 0.087 0.063 5 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.087 0.063 5 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 3.930 0.208 14 0 "[ . 1 . 2]"
1 34 LYS 13.415 0.776 8 17 "[* *****+*** * -*****]"
1 35 MET 0.579 0.091 10 0 "[ . 1 . 2]"
1 37 ALA 5.890 0.208 14 0 "[ . 1 . 2]"
1 38 PRO 13.752 0.776 8 17 "[* *****+*** * -*****]"
1 39 MET 0.846 0.091 10 0 "[ . 1 . 2]"
1 41 GLU 2.446 0.134 2 0 "[ . 1 . 2]"
1 42 LYS 1.679 0.168 18 0 "[ . 1 . 2]"
1 43 PHE 0.266 0.050 12 0 "[ . 1 . 2]"
1 45 GLU 0.485 0.085 19 0 "[ . 1 . 2]"
1 46 GLN 1.342 0.168 18 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.008 0.008 10 0 "[ . 1 . 2]"
1 60 LEU 2.262 0.107 14 0 "[ . 1 . 2]"
1 61 GLY 0.055 0.027 6 0 "[ . 1 . 2]"
1 62 ASP 0.023 0.014 13 0 "[ . 1 . 2]"
1 64 ALA 2.254 0.107 14 0 "[ . 1 . 2]"
1 65 GLN 0.055 0.027 6 0 "[ . 1 . 2]"
1 66 LYS 0.023 0.014 13 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 6.341 0.266 7 0 "[ . 1 . 2]"
1 83 GLU 6.341 0.266 7 0 "[ . 1 . 2]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.223 0.076 14 0 "[ . 1 . 2]"
1 97 GLN 0.908 0.183 16 0 "[ . 1 . 2]"
1 98 ALA 0.344 0.076 14 0 "[ . 1 . 2]"
1 101 ALA 0.908 0.183 16 0 "[ . 1 . 2]"
1 102 ASN 0.121 0.041 5 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 7 THR O 1 11 PHE H 1.800 . 2.300 2.375 2.316 2.432 0.132 14 0 "[ . 1 . 2]" 2
2 1 7 THR O 1 11 PHE N 2.800 2.800 3.300 3.273 3.217 3.326 0.026 14 0 "[ . 1 . 2]" 2
3 1 10 GLU O 1 14 ALA H 1.800 . 2.300 2.143 1.996 2.241 . 0 0 "[ . 1 . 2]" 2
4 1 10 GLU O 1 14 ALA N 2.800 2.800 3.300 3.081 2.964 3.165 . 0 0 "[ . 1 . 2]" 2
5 1 12 ASP O 1 16 ALA H 1.800 . 2.300 2.119 1.921 2.363 0.063 5 0 "[ . 1 . 2]" 2
6 1 12 ASP O 1 16 ALA N 2.800 2.800 3.300 2.928 2.789 3.117 0.011 4 0 "[ . 1 . 2]" 2
7 1 33 CYS O 1 37 ALA H 1.800 . 2.300 2.465 2.414 2.508 0.208 14 0 "[ . 1 . 2]" 2
8 1 33 CYS O 1 37 ALA N 2.800 2.800 3.300 3.331 3.285 3.372 0.072 10 0 "[ . 1 . 2]" 2
9 1 34 LYS O 1 38 PRO N 2.800 2.800 3.300 3.971 3.739 4.076 0.776 8 17 "[* *****+*** * -*****]" 2
10 1 35 MET O 1 39 MET H 1.800 . 2.300 2.307 2.162 2.391 0.091 10 0 "[ . 1 . 2]" 2
11 1 35 MET O 1 39 MET N 2.800 2.800 3.300 3.221 3.070 3.309 0.009 12 0 "[ . 1 . 2]" 2
12 1 37 ALA O 1 41 GLU H 1.800 . 2.300 2.390 2.333 2.434 0.134 2 0 "[ . 1 . 2]" 2
13 1 37 ALA O 1 41 GLU N 2.800 2.800 3.300 3.295 3.250 3.348 0.048 9 0 "[ . 1 . 2]" 2
14 1 38 PRO O 1 42 LYS H 1.800 . 2.300 2.066 1.930 2.268 . 0 0 "[ . 1 . 2]" 2
15 1 38 PRO O 1 42 LYS N 2.800 2.800 3.300 2.789 2.745 2.852 0.055 8 0 "[ . 1 . 2]" 2
16 1 39 MET O 1 43 PHE H 1.800 . 2.300 2.282 2.164 2.350 0.050 12 0 "[ . 1 . 2]" 2
17 1 39 MET O 1 43 PHE N 2.800 2.800 3.300 3.092 2.965 3.154 . 0 0 "[ . 1 . 2]" 2
18 1 41 GLU O 1 45 GLU H 1.800 . 2.300 2.291 2.091 2.385 0.085 19 0 "[ . 1 . 2]" 2
19 1 41 GLU O 1 45 GLU N 2.800 2.800 3.300 3.038 2.852 3.132 . 0 0 "[ . 1 . 2]" 2
20 1 42 LYS O 1 46 GLN H 1.800 . 2.300 2.366 2.299 2.468 0.168 18 0 "[ . 1 . 2]" 2
21 1 42 LYS O 1 46 GLN N 2.800 2.800 3.300 3.181 3.059 3.326 0.026 18 0 "[ . 1 . 2]" 2
22 1 56 ASP O 1 60 LEU H 1.800 . 2.300 1.966 1.824 2.121 . 0 0 "[ . 1 . 2]" 2
23 1 56 ASP O 1 60 LEU N 2.800 2.800 3.300 2.929 2.792 3.078 0.008 10 0 "[ . 1 . 2]" 2
24 1 60 LEU O 1 64 ALA H 1.800 . 2.300 2.373 2.335 2.407 0.107 14 0 "[ . 1 . 2]" 2
25 1 60 LEU O 1 64 ALA N 2.800 2.800 3.300 3.340 3.301 3.371 0.071 14 0 "[ . 1 . 2]" 2
26 1 61 GLY O 1 65 GLN H 1.800 . 2.300 2.165 1.947 2.327 0.027 6 0 "[ . 1 . 2]" 2
27 1 61 GLY O 1 65 GLN N 2.800 2.800 3.300 3.022 2.839 3.225 . 0 0 "[ . 1 . 2]" 2
28 1 62 ASP O 1 66 LYS H 1.800 . 2.300 2.177 2.020 2.314 0.014 13 0 "[ . 1 . 2]" 2
29 1 62 ASP O 1 66 LYS N 2.800 2.800 3.300 2.990 2.828 3.178 . 0 0 "[ . 1 . 2]" 2
30 1 94 ALA O 1 98 ALA H 1.800 . 2.300 2.236 2.068 2.376 0.076 14 0 "[ . 1 . 2]" 2
31 1 94 ALA O 1 98 ALA N 2.800 2.800 3.300 2.894 2.775 3.008 0.025 19 0 "[ . 1 . 2]" 2
32 1 97 GLN O 1 101 ALA H 1.800 . 2.300 2.286 2.051 2.483 0.183 16 0 "[ . 1 . 2]" 2
33 1 97 GLN O 1 101 ALA N 2.800 2.800 3.300 2.992 2.830 3.126 . 0 0 "[ . 1 . 2]" 2
34 1 98 ALA O 1 102 ASN H 1.800 . 2.300 1.931 1.806 2.118 . 0 0 "[ . 1 . 2]" 2
35 1 98 ALA O 1 102 ASN N 2.800 2.800 3.300 2.840 2.759 2.967 0.041 5 0 "[ . 1 . 2]" 2
36 1 3 THR N 1 52 PHE O 2.800 2.400 3.700 2.941 2.818 3.113 . 0 0 "[ . 1 . 2]" 2
37 1 3 THR H 1 52 PHE O 1.800 . 2.700 2.031 1.915 2.183 . 0 0 "[ . 1 . 2]" 2
38 1 75 LEU N 1 87 VAL O 2.800 2.400 3.700 2.692 2.645 2.756 . 0 0 "[ . 1 . 2]" 2
39 1 75 LEU H 1 87 VAL O 1.800 . 2.700 1.714 1.667 1.779 . 0 0 "[ . 1 . 2]" 2
40 1 77 LEU N 1 85 ALA O 2.800 2.400 3.700 2.665 2.591 2.890 . 0 0 "[ . 1 . 2]" 2
41 1 77 LEU H 1 85 ALA O 1.800 . 2.700 1.742 1.663 2.030 . 0 0 "[ . 1 . 2]" 2
42 1 79 LYS N 1 83 GLU O 2.800 2.400 3.700 3.773 3.734 3.800 0.100 18 0 "[ . 1 . 2]" 2
43 1 79 LYS H 1 83 GLU O 1.800 . 2.700 2.944 2.902 2.966 0.266 7 0 "[ . 1 . 2]" 2
44 1 25 PHE N 1 74 THR O 2.800 2.400 3.700 2.743 2.674 2.818 . 0 0 "[ . 1 . 2]" 2
45 1 25 PHE H 1 74 THR O 1.800 . 2.700 1.873 1.783 1.976 . 0 0 "[ . 1 . 2]" 2
46 1 23 VAL O 1 76 LEU N 2.800 2.400 3.700 2.853 2.788 2.989 . 0 0 "[ . 1 . 2]" 2
47 1 23 VAL O 1 76 LEU H 1.800 . 2.700 1.889 1.820 2.036 . 0 0 "[ . 1 . 2]" 2
48 1 23 VAL N 1 76 LEU O 2.800 2.400 3.700 2.858 2.672 2.976 . 0 0 "[ . 1 . 2]" 2
49 1 23 VAL H 1 76 LEU O 1.800 . 2.700 1.933 1.714 2.073 . 0 0 "[ . 1 . 2]" 2
50 1 21 VAL O 1 78 PHE N 2.800 2.400 3.700 2.934 2.647 3.283 . 0 0 "[ . 1 . 2]" 2
51 1 21 VAL O 1 78 PHE H 1.800 . 2.700 2.012 1.704 2.364 . 0 0 "[ . 1 . 2]" 2
52 1 21 VAL N 1 78 PHE O 2.800 2.400 3.700 2.855 2.724 3.172 . 0 0 "[ . 1 . 2]" 2
53 1 21 VAL H 1 78 PHE O 1.800 . 2.700 1.876 1.744 2.193 . 0 0 "[ . 1 . 2]" 2
54 1 20 LEU O 1 51 ASP N 2.800 2.400 3.700 2.899 2.716 3.075 . 0 0 "[ . 1 . 2]" 2
55 1 20 LEU O 1 51 ASP H 1.800 . 2.700 1.928 1.736 2.108 . 0 0 "[ . 1 . 2]" 2
56 1 3 THR O 1 54 LYS N 2.800 2.400 3.700 2.662 2.614 2.780 . 0 0 "[ . 1 . 2]" 2
57 1 3 THR O 1 54 LYS H 1.800 . 2.700 1.809 1.684 1.935 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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