NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
633059 |
6mv3   |
30529 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6mv3
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 1458
_Distance_constraint_stats_list.Viol_count 4122
_Distance_constraint_stats_list.Viol_total 12322.406
_Distance_constraint_stats_list.Viol_max 1.093
_Distance_constraint_stats_list.Viol_rms 0.0711
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0211
_Distance_constraint_stats_list.Viol_average_violations_only 0.1495
_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 3.051 0.408 5 0 "[ . 1 . 2]"
1 2 ASP 5.282 0.273 20 0 "[ . 1 . 2]"
1 3 ASP 7.908 0.257 1 0 "[ . 1 . 2]"
1 4 ILE 18.250 0.464 7 0 "[ . 1 . 2]"
1 5 TYR 9.566 0.283 20 0 "[ . 1 . 2]"
1 6 LYS 5.654 0.609 2 1 "[ + . 1 . 2]"
1 7 ALA 12.974 1.093 18 2 "[ - 1 . + 2]"
1 8 ALA 11.783 0.407 7 0 "[ . 1 . 2]"
1 9 VAL 12.776 0.391 11 0 "[ . 1 . 2]"
1 10 GLU 6.914 0.313 18 0 "[ . 1 . 2]"
1 11 GLN 6.932 1.093 18 2 "[ - 1 . + 2]"
1 12 LEU 12.078 0.833 4 6 "[ -+.* 1 * * *]"
1 13 THR 12.984 0.341 20 0 "[ . 1 . 2]"
1 14 GLU 8.317 0.341 20 0 "[ . 1 . 2]"
1 15 GLU 6.188 0.287 14 0 "[ . 1 . 2]"
1 16 GLN 8.166 0.328 19 0 "[ . 1 . 2]"
1 17 LYS 21.215 0.833 4 9 "[ *+.** * ** - *]"
1 18 ASN 2.796 0.545 5 1 "[ + 1 . 2]"
1 19 GLU 8.776 0.623 14 1 "[ . 1 +. 2]"
1 20 PHE 11.799 0.460 15 0 "[ . 1 . 2]"
1 21 LYS 17.227 0.764 20 9 "[ -* * * **** +]"
1 22 ALA 3.467 0.261 19 0 "[ . 1 . 2]"
1 23 ALA 0.425 0.133 9 0 "[ . 1 . 2]"
1 24 PHE 13.731 0.509 11 1 "[ . 1+ . 2]"
1 25 ASP 3.909 0.261 19 0 "[ . 1 . 2]"
1 26 ILE 10.060 0.304 17 0 "[ . 1 . 2]"
1 27 PHE 11.541 0.351 1 0 "[ . 1 . 2]"
1 28 VAL 8.150 0.295 14 0 "[ . 1 . 2]"
1 29 LEU 12.138 0.417 19 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 7.492 0.374 19 0 "[ . 1 . 2]"
1 32 GLU 2.698 0.282 19 0 "[ . 1 . 2]"
1 33 ASP 0.411 0.120 12 0 "[ . 1 . 2]"
1 34 GLY 5.284 0.374 19 0 "[ . 1 . 2]"
1 35 SER 4.347 0.539 2 1 "[ + . 1 . 2]"
1 36 ILE 14.709 0.529 12 3 "[ . *1-+ . 2]"
1 37 SER 2.931 0.386 1 0 "[ . 1 . 2]"
1 38 THR 21.822 0.660 4 3 "[ +. 1 - . * 2]"
1 39 LYS 3.236 0.386 1 0 "[ . 1 . 2]"
1 40 GLU 9.136 0.561 17 1 "[ . 1 . + 2]"
1 41 LEU 31.194 0.607 4 1 "[ +. 1 . 2]"
1 42 GLY 7.573 0.607 4 1 "[ +. 1 . 2]"
1 43 LYS 7.519 0.417 19 0 "[ . 1 . 2]"
1 44 VAL 14.511 0.563 11 3 "[ . 1+ . * -2]"
1 45 MET 17.112 0.570 6 1 "[ .+ 1 . 2]"
1 46 ARG 9.669 0.250 9 0 "[ . 1 . 2]"
1 47 MET 19.363 0.563 11 3 "[ . 1+ . * -2]"
1 48 LEU 22.978 0.433 9 0 "[ . 1 . 2]"
1 49 GLY 2.438 0.144 11 0 "[ . 1 . 2]"
1 50 GLN 9.766 0.712 6 5 "[ .+ * * . -* 2]"
1 51 ASN 1.304 0.209 4 0 "[ . 1 . 2]"
1 52 PRO 12.699 0.712 6 5 "[ .+ * * . -* 2]"
1 53 THR 3.425 0.226 1 0 "[ . 1 . 2]"
1 54 PRO 25.254 0.578 4 5 "[ +.- * 1 * . * 2]"
1 55 GLU 15.373 0.578 4 5 "[ +.- * 1 * . * 2]"
1 56 GLU 21.528 0.576 3 9 "[ *+*. ******. 2]"
1 57 LEU 21.302 0.607 4 1 "[ +. 1 . 2]"
1 58 GLN 19.450 0.660 4 5 "[ +.- * 1 * . * 2]"
1 59 GLU 4.008 0.264 11 0 "[ . 1 . 2]"
1 60 MET 6.031 0.607 4 1 "[ +. 1 . 2]"
1 61 ILE 21.078 0.419 8 0 "[ . 1 . 2]"
1 62 ASP 6.736 0.264 11 0 "[ . 1 . 2]"
1 63 GLU 7.305 0.341 20 0 "[ . 1 . 2]"
1 64 VAL 15.196 0.506 12 1 "[ . 1 + . 2]"
1 65 ASP 0.240 0.209 1 0 "[ . 1 . 2]"
1 66 GLU 5.301 0.343 4 0 "[ . 1 . 2]"
1 67 ASP 1.095 0.230 15 0 "[ . 1 . 2]"
1 68 GLY 4.629 0.254 8 0 "[ . 1 . 2]"
1 69 SER 0.488 0.463 19 0 "[ . 1 . 2]"
1 70 GLY 10.734 0.345 14 0 "[ . 1 . 2]"
1 71 THR 8.406 0.386 2 0 "[ . 1 . 2]"
1 72 VAL 1.120 0.214 16 0 "[ . 1 . 2]"
1 73 ASP 15.119 0.980 1 7 "[+- *. ** . ** 2]"
1 74 PHE 29.109 0.915 18 4 "[ *. *1 - . + 2]"
1 75 ASP 13.411 0.980 1 6 "[+ *. ** . -* 2]"
1 76 GLU 10.544 0.438 5 0 "[ . 1 . 2]"
1 77 PHE 30.772 0.670 15 4 "[* . - +* 2]"
1 78 LEU 29.777 0.915 18 9 "[* -*.* *1 * * + *]"
1 79 VAL 29.461 0.511 8 2 "[ - + 1 . 2]"
1 80 MET 8.735 0.506 12 1 "[ . 1 + . 2]"
1 81 MET 17.091 0.499 3 0 "[ . 1 . 2]"
1 82 VAL 13.810 0.321 8 0 "[ . 1 . 2]"
1 83 ARG 14.950 0.511 8 2 "[ - + 1 . 2]"
1 84 SER 2.026 0.294 4 0 "[ . 1 . 2]"
1 85 MET 1.803 0.294 4 0 "[ . 1 . 2]"
1 88 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 0.470 0.067 10 0 "[ . 1 . 2]"
1 90 LYS 13.149 0.530 15 1 "[ . 1 + 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 3.077 0.453 13 0 "[ . 1 . 2]"
1 93 PHE 4.999 0.482 14 0 "[ . 1 . 2]"
1 94 LYS 6.053 0.556 14 1 "[ . 1 +. 2]"
1 95 ARG 10.538 0.855 20 4 "[ . * 1 .*- +]"
1 96 PRO 16.193 0.855 20 5 "[ . * 1 **- +]"
1 97 THR 4.107 0.795 15 1 "[ . 1 + 2]"
1 98 LEU 3.591 0.314 16 0 "[ . 1 . 2]"
1 101 VAL 4.229 0.418 7 0 "[ . 1 . 2]"
1 102 ARG 6.470 0.374 14 0 "[ . 1 . 2]"
1 103 ILE 9.198 0.464 4 0 "[ . 1 . 2]"
1 104 SER 10.916 0.536 17 1 "[ . 1 . + 2]"
1 105 ALA 16.983 0.536 17 1 "[ . 1 . + 2]"
1 106 ASP 1.668 0.234 12 0 "[ . 1 . 2]"
1 107 ALA 5.108 0.315 7 0 "[ . 1 . 2]"
1 108 MET 23.726 0.570 6 1 "[ .+ 1 . 2]"
1 109 MET 6.290 0.317 10 0 "[ . 1 . 2]"
1 110 GLN 8.726 0.384 8 0 "[ . 1 . 2]"
1 111 ALA 8.125 0.325 14 0 "[ . 1 . 2]"
1 112 LEU 21.547 0.561 11 1 "[ . 1+ . 2]"
1 113 LEU 6.801 0.218 11 0 "[ . 1 . 2]"
1 114 GLY 2.696 0.317 4 0 "[ . 1 . 2]"
1 115 ALA 0.792 0.317 4 0 "[ . 1 . 2]"
1 116 ARG 0.977 0.386 1 0 "[ . 1 . 2]"
1 117 ALA 0.860 0.386 1 0 "[ . 1 . 2]"
1 118 LYS 0.123 0.079 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET QB 2.294 . 2.952 2.402 2.180 2.531 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 1 MET QB 1.980 . 2.470 2.295 2.105 2.417 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 1 MET ME 3.228 . 4.531 4.067 2.311 4.479 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 1 MET HG2 2.678 . 3.574 2.962 2.096 3.665 0.091 6 0 "[ . 1 . 2]" 1
5 1 1 MET HA 1 1 MET HG3 2.716 . 3.638 2.690 2.000 4.046 0.408 5 0 "[ . 1 . 2]" 1
6 1 1 MET ME 1 1 MET HG3 2.298 . 2.958 2.498 1.903 3.318 0.360 17 0 "[ . 1 . 2]" 1
7 1 1 MET ME 1 5 TYR HB2 3.463 . 4.962 4.714 3.918 5.208 0.246 10 0 "[ . 1 . 2]" 1
8 1 1 MET ME 1 6 LYS HA 3.128 . 4.351 2.807 1.982 4.125 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET ME 1 75 ASP HB2 2.688 . 3.591 3.049 1.903 3.740 0.149 10 0 "[ . 1 . 2]" 1
10 1 1 MET HG2 1 6 LYS H 3.180 . 4.444 4.079 3.491 4.622 0.178 10 0 "[ . 1 . 2]" 1
11 1 1 MET HG2 1 79 VAL MG2 3.262 . 4.592 3.121 1.871 4.041 0.061 10 0 "[ . 1 . 2]" 1
12 1 1 MET HG3 1 79 VAL MG2 2.274 . 2.920 2.550 1.793 3.085 0.165 1 0 "[ . 1 . 2]" 1
13 1 2 ASP HA 1 2 ASP QB 2.190 . 2.789 2.359 2.238 2.414 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP HB2 1 4 ILE QG 3.059 . 4.229 4.416 4.330 4.502 0.273 20 0 "[ . 1 . 2]" 1
15 1 2 ASP HB2 1 4 ILE QG 3.175 . 4.435 4.203 3.937 4.330 . 0 0 "[ . 1 . 2]" 1
16 1 2 ASP HB2 1 4 ILE MG 2.761 . 3.714 2.251 1.779 2.546 0.029 12 0 "[ . 1 . 2]" 1
17 1 2 ASP HB2 1 5 TYR HE1 2.801 . 3.782 3.793 3.523 3.980 0.198 7 0 "[ . 1 . 2]" 1
18 1 2 ASP HB3 1 3 ASP H 2.456 . 3.210 2.610 2.328 3.208 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASP HB3 1 4 ILE H 2.815 . 3.805 2.829 2.559 3.321 . 0 0 "[ . 1 . 2]" 1
20 1 2 ASP HB3 1 4 ILE QG 3.692 . 5.396 4.615 4.282 5.080 . 0 0 "[ . 1 . 2]" 1
21 1 2 ASP HB3 1 4 ILE MG 3.629 . 5.276 2.091 1.917 2.412 0.065 15 0 "[ . 1 . 2]" 1
22 1 2 ASP HB3 1 5 TYR H 3.321 . 4.699 3.378 3.028 4.037 . 0 0 "[ . 1 . 2]" 1
23 1 3 ASP H 1 4 ILE H 3.317 . 4.692 2.668 2.624 2.843 . 0 0 "[ . 1 . 2]" 1
24 1 3 ASP HA 1 3 ASP HB2 2.248 . 2.880 2.827 2.454 3.009 0.129 3 0 "[ . 1 . 2]" 1
25 1 3 ASP HA 1 3 ASP HB3 2.214 . 2.827 2.637 2.374 3.023 0.196 1 0 "[ . 1 . 2]" 1
26 1 3 ASP HA 1 4 ILE H 2.490 . 3.265 3.495 3.436 3.519 0.254 1 0 "[ . 1 . 2]" 1
27 1 3 ASP HA 1 6 LYS QB 2.503 . 3.286 2.421 2.156 2.718 . 0 0 "[ . 1 . 2]" 1
28 1 3 ASP HA 1 6 LYS HD2 2.706 . 3.621 3.376 2.426 3.878 0.257 1 0 "[ . 1 . 2]" 1
29 1 4 ILE H 1 4 ILE HA 2.578 . 3.408 2.819 2.779 2.858 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE H 1 4 ILE HB 2.253 . 2.887 2.706 2.559 2.833 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE H 1 4 ILE MG 2.618 . 3.475 1.766 1.661 1.975 0.100 11 0 "[ . 1 . 2]" 1
32 1 4 ILE H 1 5 TYR H 2.562 . 3.383 2.721 2.615 2.872 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE HA 1 4 ILE HB 2.226 . 2.845 2.336 2.303 2.410 . 0 0 "[ . 1 . 2]" 1
34 1 4 ILE HA 1 4 ILE MD 2.780 . 3.746 2.232 1.873 3.344 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE HA 1 4 ILE QG 2.528 . 3.327 3.056 2.627 3.235 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE HA 1 4 ILE MG 2.414 . 3.142 3.141 3.111 3.177 0.035 12 0 "[ . 1 . 2]" 1
37 1 4 ILE HA 1 5 TYR H 3.020 . 4.160 3.557 3.507 3.574 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE HA 1 7 ALA H 2.844 . 3.855 3.489 3.295 3.637 . 0 0 "[ . 1 . 2]" 1
39 1 4 ILE HA 1 7 ALA MB 2.423 . 3.157 2.551 2.277 2.693 . 0 0 "[ . 1 . 2]" 1
40 1 4 ILE HB 1 4 ILE MD 2.325 . 3.001 2.286 2.094 2.424 . 0 0 "[ . 1 . 2]" 1
41 1 4 ILE HB 1 4 ILE QG 2.245 . 2.875 2.399 2.339 2.548 . 0 0 "[ . 1 . 2]" 1
42 1 4 ILE HB 1 4 ILE QG 2.229 . 2.850 2.326 2.257 2.474 . 0 0 "[ . 1 . 2]" 1
43 1 4 ILE HB 1 4 ILE MG 2.157 . 2.738 2.122 2.104 2.145 . 0 0 "[ . 1 . 2]" 1
44 1 4 ILE HB 1 5 TYR H 2.924 . 3.992 4.011 3.922 4.068 0.076 3 0 "[ . 1 . 2]" 1
45 1 4 ILE MD 1 4 ILE QG 1.858 . 2.290 1.898 1.879 1.919 . 0 0 "[ . 1 . 2]" 1
46 1 4 ILE MD 1 6 LYS HA 3.192 . 4.465 4.251 3.961 4.471 0.006 4 0 "[ . 1 . 2]" 1
47 1 4 ILE MD 1 7 ALA MB 3.028 . 4.174 3.086 2.501 4.324 0.150 19 0 "[ . 1 . 2]" 1
48 1 4 ILE MD 1 8 ALA MB 3.153 . 4.396 3.149 2.299 4.196 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE MD 1 8 ALA MB 2.687 . 3.589 2.662 2.208 3.023 . 0 0 "[ . 1 . 2]" 1
50 1 4 ILE QG 1 4 ILE MG 2.235 . 2.860 2.056 1.892 2.101 . 0 0 "[ . 1 . 2]" 1
51 1 4 ILE QG 1 5 TYR H 2.678 . 3.574 2.993 2.673 3.558 . 0 0 "[ . 1 . 2]" 1
52 1 4 ILE QG 1 5 TYR HA 2.881 . 3.919 2.262 1.809 2.584 0.034 12 0 "[ . 1 . 2]" 1
53 1 4 ILE QG 1 5 TYR HB2 2.754 . 3.702 2.961 2.388 3.372 . 0 0 "[ . 1 . 2]" 1
54 1 4 ILE QG 1 5 TYR HD2 3.432 . 4.905 3.409 2.897 3.919 . 0 0 "[ . 1 . 2]" 1
55 1 4 ILE QG 1 6 LYS H 2.970 . 4.072 3.683 3.545 3.794 . 0 0 "[ . 1 . 2]" 1
56 1 4 ILE MG 1 5 TYR H 3.032 . 4.181 1.829 1.749 1.962 0.134 14 0 "[ . 1 . 2]" 1
57 1 4 ILE MG 1 5 TYR HA 3.668 . 5.349 3.763 3.297 4.026 . 0 0 "[ . 1 . 2]" 1
58 1 4 ILE MG 1 5 TYR HA 2.907 . 3.964 3.410 3.116 3.635 . 0 0 "[ . 1 . 2]" 1
59 1 4 ILE MG 1 5 TYR HD2 3.553 . 5.131 4.104 2.935 4.564 . 0 0 "[ . 1 . 2]" 1
60 1 4 ILE MG 1 5 TYR HE1 3.282 . 4.629 4.425 4.010 4.637 0.008 8 0 "[ . 1 . 2]" 1
61 1 4 ILE MG 1 6 LYS H 3.670 . 5.354 4.089 3.950 4.331 . 0 0 "[ . 1 . 2]" 1
62 1 4 ILE MG 1 7 ALA MB 3.143 . 4.378 4.729 4.549 4.842 0.464 7 0 "[ . 1 . 2]" 1
63 1 5 TYR H 1 5 TYR HA 2.636 . 3.504 2.822 2.810 2.842 . 0 0 "[ . 1 . 2]" 1
64 1 5 TYR H 1 5 TYR HB2 2.777 . 3.741 2.309 2.237 2.453 . 0 0 "[ . 1 . 2]" 1
65 1 5 TYR H 1 5 TYR HD2 2.875 . 3.908 3.840 3.304 4.014 0.106 7 0 "[ . 1 . 2]" 1
66 1 5 TYR H 1 6 LYS H 2.334 . 3.015 2.663 2.587 2.745 . 0 0 "[ . 1 . 2]" 1
67 1 5 TYR HA 1 5 TYR HB2 2.351 . 3.042 3.011 2.994 3.030 . 0 0 "[ . 1 . 2]" 1
68 1 5 TYR HA 1 5 TYR HB3 2.570 . 3.395 2.584 2.510 2.637 . 0 0 "[ . 1 . 2]" 1
69 1 5 TYR HA 1 5 TYR HD2 2.317 . 2.988 1.754 1.679 1.873 . 0 0 "[ . 1 . 2]" 1
70 1 5 TYR HA 1 6 LYS H 2.862 . 3.886 3.543 3.525 3.565 . 0 0 "[ . 1 . 2]" 1
71 1 5 TYR HA 1 8 ALA H 3.140 . 4.373 3.338 3.209 3.448 . 0 0 "[ . 1 . 2]" 1
72 1 5 TYR HA 1 8 ALA MB 2.341 . 3.026 2.550 2.460 2.724 . 0 0 "[ . 1 . 2]" 1
73 1 5 TYR HA 1 79 VAL MG1 3.063 . 4.236 3.288 3.027 3.584 . 0 0 "[ . 1 . 2]" 1
74 1 5 TYR HA 1 82 VAL MG2 3.637 . 5.290 4.065 3.641 4.374 . 0 0 "[ . 1 . 2]" 1
75 1 5 TYR HB2 1 6 LYS H 3.162 . 4.411 2.691 2.556 2.788 . 0 0 "[ . 1 . 2]" 1
76 1 5 TYR HB2 1 79 VAL MG1 2.764 . 3.719 3.007 2.589 3.455 . 0 0 "[ . 1 . 2]" 1
77 1 5 TYR HB2 1 79 VAL MG2 2.672 . 3.564 3.002 2.396 3.456 . 0 0 "[ . 1 . 2]" 1
78 1 5 TYR HB3 1 5 TYR HD2 2.449 . 3.199 3.012 2.898 3.123 . 0 0 "[ . 1 . 2]" 1
79 1 5 TYR HB3 1 6 LYS H 2.722 . 3.648 3.458 3.334 3.609 . 0 0 "[ . 1 . 2]" 1
80 1 5 TYR HB3 1 79 VAL MG1 2.983 . 4.095 2.157 1.897 2.581 . 0 0 "[ . 1 . 2]" 1
81 1 5 TYR HB3 1 79 VAL MG2 2.697 . 3.607 1.984 1.789 2.325 . 0 0 "[ . 1 . 2]" 1
82 1 5 TYR HD2 1 8 ALA MB 3.347 . 4.747 3.116 2.941 3.364 . 0 0 "[ . 1 . 2]" 1
83 1 5 TYR HD2 1 79 VAL MG1 3.369 . 4.787 3.409 3.000 3.867 . 0 0 "[ . 1 . 2]" 1
84 1 5 TYR HD2 1 79 VAL MG2 3.100 . 4.302 4.298 3.708 4.436 0.134 16 0 "[ . 1 . 2]" 1
85 1 5 TYR HD2 1 82 VAL MG1 2.863 . 3.887 1.813 1.695 1.913 0.144 17 0 "[ . 1 . 2]" 1
86 1 5 TYR HD2 1 82 VAL MG2 2.979 . 4.088 3.928 3.495 4.140 0.052 12 0 "[ . 1 . 2]" 1
87 1 5 TYR HD2 1 83 ARG HA 3.297 . 4.656 4.009 3.657 4.299 . 0 0 "[ . 1 . 2]" 1
88 1 5 TYR HE1 1 83 ARG HA 3.206 . 4.491 4.669 4.550 4.774 0.283 20 0 "[ . 1 . 2]" 1
89 1 6 LYS H 1 6 LYS HA 2.385 . 3.096 2.825 2.815 2.837 . 0 0 "[ . 1 . 2]" 1
90 1 6 LYS HA 1 6 LYS QB 1.882 . 2.325 1.991 1.909 2.078 . 0 0 "[ . 1 . 2]" 1
91 1 6 LYS HA 1 6 LYS HG2 2.699 . 3.609 2.627 2.109 3.015 . 0 0 "[ . 1 . 2]" 1
92 1 6 LYS HA 1 6 LYS HG3 2.285 . 2.937 2.839 2.169 3.546 0.609 2 1 "[ + . 1 . 2]" 1
93 1 6 LYS HA 1 9 VAL HB 2.366 . 3.066 3.125 3.049 3.168 0.102 18 0 "[ . 1 . 2]" 1
94 1 6 LYS HA 1 9 VAL MG1 2.854 . 3.872 3.109 2.320 3.559 . 0 0 "[ . 1 . 2]" 1
95 1 6 LYS HA 1 9 VAL MG2 2.322 . 2.996 2.955 2.758 3.074 0.078 4 0 "[ . 1 . 2]" 1
96 1 6 LYS HA 1 9 VAL MG2 2.202 . 2.808 2.494 2.096 2.685 . 0 0 "[ . 1 . 2]" 1
97 1 6 LYS HA 1 78 LEU HB3 3.656 . 5.326 3.997 3.286 4.905 . 0 0 "[ . 1 . 2]" 1
98 1 6 LYS HA 1 79 VAL MG1 3.089 . 4.282 4.035 3.471 4.306 0.024 14 0 "[ . 1 . 2]" 1
99 1 6 LYS QB 1 6 LYS HG2 2.180 . 2.774 2.426 2.228 2.546 . 0 0 "[ . 1 . 2]" 1
100 1 6 LYS QB 1 6 LYS HG3 2.268 . 2.911 2.301 2.168 2.502 . 0 0 "[ . 1 . 2]" 1
101 1 6 LYS HD2 1 6 LYS QE 1.764 . 2.153 1.784 1.744 1.822 . 0 0 "[ . 1 . 2]" 1
102 1 6 LYS QE 1 6 LYS HG3 2.127 . 2.693 2.456 1.991 3.128 0.435 8 0 "[ . 1 . 2]" 1
103 1 7 ALA H 1 7 ALA HA 2.418 . 3.149 2.824 2.815 2.835 . 0 0 "[ . 1 . 2]" 1
104 1 7 ALA H 1 7 ALA MB 2.090 . 2.636 2.108 2.046 2.184 . 0 0 "[ . 1 . 2]" 1
105 1 7 ALA H 1 8 ALA H 2.532 . 3.333 2.630 2.599 2.660 . 0 0 "[ . 1 . 2]" 1
106 1 7 ALA HA 1 7 ALA MB 1.881 . 2.323 2.116 2.097 2.133 . 0 0 "[ . 1 . 2]" 1
107 1 7 ALA HA 1 8 ALA H 2.641 . 3.513 2.701 2.693 2.707 . 0 0 "[ . 1 . 2]" 1
108 1 7 ALA HA 1 9 VAL H 2.627 . 3.490 3.390 3.368 3.411 . 0 0 "[ . 1 . 2]" 1
109 1 7 ALA HA 1 10 GLU H 3.196 . 4.473 2.694 2.682 2.707 . 0 0 "[ . 1 . 2]" 1
110 1 7 ALA HA 1 10 GLU QB 1.843 . 2.268 2.248 2.213 2.279 0.011 18 0 "[ . 1 . 2]" 1
111 1 7 ALA MB 1 10 GLU QB 2.856 . 3.876 4.002 3.928 4.189 0.313 18 0 "[ . 1 . 2]" 1
112 1 7 ALA MB 1 11 GLN HB3 3.472 . 4.979 4.897 3.259 5.159 0.180 13 0 "[ . 1 . 2]" 1
113 1 7 ALA MB 1 11 GLN QG 2.698 . 3.608 3.017 2.651 4.701 1.093 18 2 "[ - 1 . + 2]" 1
114 1 8 ALA H 1 8 ALA MB 2.170 . 2.759 2.173 2.100 2.237 . 0 0 "[ . 1 . 2]" 1
115 1 8 ALA H 1 9 VAL H 2.472 . 3.236 2.727 2.711 2.753 . 0 0 "[ . 1 . 2]" 1
116 1 8 ALA H 1 9 VAL HB 3.386 . 4.819 4.427 4.396 4.487 . 0 0 "[ . 1 . 2]" 1
117 1 8 ALA H 1 9 VAL MG2 2.944 . 4.027 3.640 3.420 3.806 . 0 0 "[ . 1 . 2]" 1
118 1 8 ALA HA 1 8 ALA MB 1.600 . 1.920 1.891 1.885 1.900 . 0 0 "[ . 1 . 2]" 1
119 1 8 ALA HA 1 9 VAL HA 2.874 . 3.906 4.209 4.133 4.297 0.391 11 0 "[ . 1 . 2]" 1
120 1 8 ALA HA 1 11 GLN HB2 2.482 . 3.252 2.432 2.127 3.578 0.326 5 0 "[ . 1 . 2]" 1
121 1 8 ALA HA 1 11 GLN QG 2.201 . 2.807 2.700 1.646 2.953 0.146 13 0 "[ . 1 . 2]" 1
122 1 8 ALA MB 1 9 VAL HA 3.240 . 4.552 3.740 3.669 3.805 . 0 0 "[ . 1 . 2]" 1
123 1 8 ALA MB 1 9 VAL MG2 2.522 . 3.317 3.192 3.018 3.294 . 0 0 "[ . 1 . 2]" 1
124 1 8 ALA MB 1 11 GLN QG 3.027 . 4.172 3.983 2.827 4.166 . 0 0 "[ . 1 . 2]" 1
125 1 8 ALA MB 1 79 VAL HA 2.931 . 4.005 4.244 4.070 4.412 0.407 7 0 "[ . 1 . 2]" 1
126 1 8 ALA MB 1 82 VAL HA 3.177 . 4.439 4.006 3.723 4.328 . 0 0 "[ . 1 . 2]" 1
127 1 8 ALA MB 1 82 VAL MG1 1.897 . 2.347 1.743 1.572 1.931 . 0 0 "[ . 1 . 2]" 1
128 1 8 ALA MB 1 82 VAL MG2 2.160 . 2.743 1.874 1.681 2.092 . 0 0 "[ . 1 . 2]" 1
129 1 9 VAL H 1 9 VAL HA 2.860 . 3.883 2.815 2.806 2.824 . 0 0 "[ . 1 . 2]" 1
130 1 9 VAL H 1 9 VAL HB 1.954 . 2.431 2.099 1.927 2.228 . 0 0 "[ . 1 . 2]" 1
131 1 9 VAL H 1 9 VAL MG2 2.230 . 2.852 2.362 2.172 2.457 . 0 0 "[ . 1 . 2]" 1
132 1 9 VAL HA 1 9 VAL HB 2.448 . 3.197 3.024 3.021 3.027 . 0 0 "[ . 1 . 2]" 1
133 1 9 VAL HA 1 9 VAL MG1 2.314 . 2.984 2.437 2.370 2.506 . 0 0 "[ . 1 . 2]" 1
134 1 9 VAL HA 1 9 VAL MG2 2.137 . 2.708 2.175 2.136 2.338 . 0 0 "[ . 1 . 2]" 1
135 1 9 VAL HA 1 9 VAL MG2 1.823 . 2.238 1.818 1.732 1.994 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL HA 1 12 LEU H 3.116 . 4.330 3.643 3.549 3.834 . 0 0 "[ . 1 . 2]" 1
137 1 9 VAL HA 1 12 LEU HB2 3.340 . 4.734 3.640 3.321 4.048 . 0 0 "[ . 1 . 2]" 1
138 1 9 VAL HA 1 12 LEU MD1 2.565 . 3.387 1.961 1.817 2.327 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL HA 1 12 LEU HG 2.697 . 3.606 3.034 2.696 3.597 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL HA 1 82 VAL MG2 2.584 . 3.419 3.282 2.872 3.488 0.069 14 0 "[ . 1 . 2]" 1
141 1 9 VAL HB 1 9 VAL MG1 1.789 . 2.189 2.146 2.112 2.152 . 0 0 "[ . 1 . 2]" 1
142 1 9 VAL HB 1 9 VAL MG2 1.670 . 2.019 2.120 2.106 2.138 0.119 9 0 "[ . 1 . 2]" 1
143 1 9 VAL MG1 1 10 GLU H 2.818 . 3.810 3.202 3.138 3.261 . 0 0 "[ . 1 . 2]" 1
144 1 9 VAL MG1 1 10 GLU HA 2.487 . 3.260 3.272 3.219 3.375 0.115 17 0 "[ . 1 . 2]" 1
145 1 9 VAL MG1 1 10 GLU HG2 2.762 . 3.716 3.664 3.312 3.936 0.220 3 0 "[ . 1 . 2]" 1
146 1 9 VAL MG1 1 10 GLU HG3 2.729 . 3.660 3.370 2.834 3.659 . 0 0 "[ . 1 . 2]" 1
147 1 9 VAL MG1 1 11 GLN H 3.087 . 4.278 4.072 3.919 4.161 . 0 0 "[ . 1 . 2]" 1
148 1 9 VAL MG1 1 17 LYS HD2 3.410 . 4.863 2.815 1.907 3.534 0.050 13 0 "[ . 1 . 2]" 1
149 1 9 VAL MG1 1 17 LYS HD3 3.473 . 4.981 3.320 1.954 5.007 0.026 5 0 "[ . 1 . 2]" 1
150 1 9 VAL MG1 1 20 PHE HD1 3.346 . 4.746 4.774 4.524 5.010 0.264 18 0 "[ . 1 . 2]" 1
151 1 9 VAL MG1 1 78 LEU MD1 2.344 . 3.031 2.207 1.723 3.037 0.006 18 0 "[ . 1 . 2]" 1
152 1 9 VAL MG1 1 78 LEU MD2 2.482 . 3.252 2.658 2.243 3.240 . 0 0 "[ . 1 . 2]" 1
153 1 9 VAL MG2 1 17 LYS HD2 2.522 . 3.317 3.089 2.644 3.524 0.207 4 0 "[ . 1 . 2]" 1
154 1 9 VAL MG2 1 78 LEU HB3 2.081 . 2.622 1.781 1.625 1.888 . 0 0 "[ . 1 . 2]" 1
155 1 9 VAL MG2 1 78 LEU HB3 2.249 . 2.881 1.861 1.660 2.057 . 0 0 "[ . 1 . 2]" 1
156 1 9 VAL MG2 1 79 VAL H 2.376 . 3.081 2.336 2.188 2.413 . 0 0 "[ . 1 . 2]" 1
157 1 10 GLU H 1 10 GLU HA 2.196 . 2.799 2.853 2.831 2.895 0.096 5 0 "[ . 1 . 2]" 1
158 1 10 GLU H 1 11 GLN H 2.408 . 3.133 2.513 2.372 2.593 . 0 0 "[ . 1 . 2]" 1
159 1 10 GLU HA 1 10 GLU QB 1.861 . 2.294 2.392 2.371 2.402 0.108 17 0 "[ . 1 . 2]" 1
160 1 10 GLU HA 1 10 GLU HG2 2.097 . 2.647 2.421 2.319 2.491 . 0 0 "[ . 1 . 2]" 1
161 1 10 GLU HA 1 11 GLN H 2.643 . 3.516 3.477 3.379 3.513 . 0 0 "[ . 1 . 2]" 1
162 1 10 GLU HA 1 12 LEU H 3.324 . 4.705 4.194 3.773 4.314 . 0 0 "[ . 1 . 2]" 1
163 1 11 GLN H 1 11 GLN HA 2.790 . 3.763 2.840 2.828 2.898 . 0 0 "[ . 1 . 2]" 1
164 1 11 GLN H 1 11 GLN HB2 2.639 . 3.510 2.450 2.305 3.548 0.038 5 0 "[ . 1 . 2]" 1
165 1 11 GLN H 1 11 GLN QG 2.569 . 3.394 2.478 2.291 3.644 0.250 18 0 "[ . 1 . 2]" 1
166 1 11 GLN HA 1 11 GLN HB2 2.269 . 2.912 2.939 2.273 3.020 0.108 6 0 "[ . 1 . 2]" 1
167 1 11 GLN HA 1 11 GLN HB3 2.311 . 2.979 2.569 2.496 2.982 0.003 18 0 "[ . 1 . 2]" 1
168 1 11 GLN HA 1 11 GLN QG 2.202 . 2.808 2.622 2.160 3.320 0.512 5 1 "[ + 1 . 2]" 1
169 1 11 GLN HA 1 12 LEU H 2.815 . 3.806 3.521 3.423 3.541 . 0 0 "[ . 1 . 2]" 1
170 1 11 GLN HB2 1 11 GLN QG 1.946 . 2.419 2.217 2.165 2.487 0.068 18 0 "[ . 1 . 2]" 1
171 1 11 GLN QG 1 12 LEU H 4.364 . 6.745 4.044 2.383 4.265 . 0 0 "[ . 1 . 2]" 1
172 1 12 LEU H 1 12 LEU HA 2.579 . 3.410 2.780 2.740 2.821 . 0 0 "[ . 1 . 2]" 1
173 1 12 LEU H 1 12 LEU HB2 2.454 . 3.207 2.553 2.450 2.647 . 0 0 "[ . 1 . 2]" 1
174 1 12 LEU H 1 12 LEU MD2 2.666 . 3.555 3.326 3.115 3.594 0.039 18 0 "[ . 1 . 2]" 1
175 1 12 LEU H 1 12 LEU HG 2.144 . 2.718 1.987 1.830 2.170 . 0 0 "[ . 1 . 2]" 1
176 1 12 LEU H 1 13 THR H 3.407 . 4.858 4.592 4.520 4.630 . 0 0 "[ . 1 . 2]" 1
177 1 12 LEU HA 1 12 LEU HB2 2.431 . 3.170 3.032 3.027 3.037 . 0 0 "[ . 1 . 2]" 1
178 1 12 LEU HA 1 12 LEU HB3 2.622 . 3.481 2.474 2.440 2.507 . 0 0 "[ . 1 . 2]" 1
179 1 12 LEU HA 1 12 LEU MD1 3.102 . 4.305 3.831 3.811 3.859 . 0 0 "[ . 1 . 2]" 1
180 1 12 LEU HA 1 12 LEU MD2 2.109 . 2.665 2.048 1.840 2.205 . 0 0 "[ . 1 . 2]" 1
181 1 12 LEU HA 1 12 LEU HG 3.000 . 4.125 2.877 2.703 2.984 . 0 0 "[ . 1 . 2]" 1
182 1 12 LEU HA 1 13 THR H 2.045 . 2.568 2.185 2.144 2.232 . 0 0 "[ . 1 . 2]" 1
183 1 12 LEU HB2 1 12 LEU MD1 2.312 . 2.980 2.253 2.086 2.357 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU HB2 1 12 LEU QD 2.245 . 2.875 2.207 2.058 2.298 . 0 0 "[ . 1 . 2]" 1
185 1 12 LEU HB2 1 12 LEU HG 2.661 . 3.546 2.554 2.510 2.613 . 0 0 "[ . 1 . 2]" 1
186 1 12 LEU HB2 1 16 GLN HB2 2.669 . 3.560 3.633 3.583 3.725 0.165 8 0 "[ . 1 . 2]" 1
187 1 12 LEU HB2 1 17 LYS H 2.813 . 3.802 3.947 3.879 4.023 0.221 13 0 "[ . 1 . 2]" 1
188 1 12 LEU HB2 1 17 LYS HD3 3.169 . 4.424 2.249 1.929 2.619 . 0 0 "[ . 1 . 2]" 1
189 1 12 LEU HB2 1 78 LEU MD2 2.661 . 3.546 3.351 2.465 4.379 0.833 4 6 "[ -+.* 1 * * *]" 1
190 1 12 LEU HB3 1 12 LEU MD1 2.409 . 3.134 2.439 2.357 2.598 . 0 0 "[ . 1 . 2]" 1
191 1 12 LEU HB3 1 12 LEU MD2 2.126 . 2.691 2.215 2.123 2.326 . 0 0 "[ . 1 . 2]" 1
192 1 12 LEU HB3 1 12 LEU MD2 2.001 . 2.502 2.018 1.973 2.093 . 0 0 "[ . 1 . 2]" 1
193 1 12 LEU HB3 1 12 LEU HG 2.430 . 3.168 3.022 3.007 3.028 . 0 0 "[ . 1 . 2]" 1
194 1 12 LEU HB3 1 13 THR H 2.992 . 4.111 3.106 2.855 3.381 . 0 0 "[ . 1 . 2]" 1
195 1 12 LEU QD 1 12 LEU HG 1.983 . 2.475 1.896 1.877 1.911 . 0 0 "[ . 1 . 2]" 1
196 1 12 LEU MD1 1 12 LEU HG 2.308 . 2.974 2.125 2.106 2.149 . 0 0 "[ . 1 . 2]" 1
197 1 12 LEU MD1 1 16 GLN HA 2.476 . 3.242 3.239 3.177 3.339 0.097 3 0 "[ . 1 . 2]" 1
198 1 12 LEU MD1 1 16 GLN HB2 3.152 . 4.394 3.990 3.818 4.141 . 0 0 "[ . 1 . 2]" 1
199 1 12 LEU MD1 1 17 LYS HA 3.086 . 4.277 3.180 2.849 3.478 . 0 0 "[ . 1 . 2]" 1
200 1 12 LEU MD1 1 17 LYS HD3 2.655 . 3.536 3.469 3.073 3.655 0.119 16 0 "[ . 1 . 2]" 1
201 1 12 LEU MD1 1 20 PHE HD1 2.553 . 3.368 1.857 1.654 2.242 0.084 8 0 "[ . 1 . 2]" 1
202 1 12 LEU MD2 1 12 LEU HG 1.810 . 2.220 2.132 2.106 2.155 . 0 0 "[ . 1 . 2]" 1
203 1 12 LEU MD2 1 13 THR H 2.947 . 4.033 3.368 3.089 3.545 . 0 0 "[ . 1 . 2]" 1
204 1 12 LEU MD2 1 16 GLN HA 3.729 . 5.467 3.933 3.744 4.143 . 0 0 "[ . 1 . 2]" 1
205 1 12 LEU MD2 1 16 GLN HB2 2.304 . 2.967 2.929 2.655 3.038 0.071 16 0 "[ . 1 . 2]" 1
206 1 12 LEU MD2 1 16 GLN HB2 2.238 . 2.864 2.778 2.533 2.935 0.071 19 0 "[ . 1 . 2]" 1
207 1 12 LEU MD2 1 16 GLN HB3 2.100 . 2.651 1.996 1.830 2.299 . 0 0 "[ . 1 . 2]" 1
208 1 12 LEU MD2 1 17 LYS H 3.650 . 5.315 4.612 4.437 4.746 . 0 0 "[ . 1 . 2]" 1
209 1 12 LEU MD2 1 20 PHE HD1 2.674 . 3.568 3.535 3.227 3.652 0.084 16 0 "[ . 1 . 2]" 1
210 1 13 THR H 1 13 THR MG 2.130 . 2.697 2.648 2.480 2.782 0.085 2 0 "[ . 1 . 2]" 1
211 1 13 THR H 1 16 GLN H 3.304 . 4.669 3.644 3.458 3.904 . 0 0 "[ . 1 . 2]" 1
212 1 13 THR H 1 16 GLN HB2 2.299 . 2.960 2.267 1.905 2.470 . 0 0 "[ . 1 . 2]" 1
213 1 13 THR H 1 16 GLN HB3 2.828 . 3.828 3.597 3.239 3.793 . 0 0 "[ . 1 . 2]" 1
214 1 13 THR HA 1 13 THR HB 2.265 . 2.906 2.675 2.642 2.706 . 0 0 "[ . 1 . 2]" 1
215 1 13 THR HA 1 13 THR MG 2.282 . 2.933 3.103 3.087 3.120 0.187 20 0 "[ . 1 . 2]" 1
216 1 13 THR HA 1 14 GLU H 2.409 . 3.134 2.595 2.555 2.610 . 0 0 "[ . 1 . 2]" 1
217 1 13 THR HA 1 14 GLU QB 2.620 . 3.478 3.716 3.630 3.819 0.341 20 0 "[ . 1 . 2]" 1
218 1 13 THR HB 1 13 THR MG 2.261 . 2.900 2.132 2.112 2.146 . 0 0 "[ . 1 . 2]" 1
219 1 13 THR HB 1 13 THR MG 1.811 . 2.221 1.896 1.876 1.910 . 0 0 "[ . 1 . 2]" 1
220 1 13 THR HB 1 15 GLU QB 3.517 . 5.063 4.739 4.543 4.875 . 0 0 "[ . 1 . 2]" 1
221 1 13 THR MG 1 14 GLU H 2.874 . 3.906 2.266 2.161 2.328 . 0 0 "[ . 1 . 2]" 1
222 1 13 THR MG 1 14 GLU QB 2.280 . 2.930 3.081 2.958 3.166 0.236 18 0 "[ . 1 . 2]" 1
223 1 13 THR MG 1 15 GLU QB 2.416 . 3.146 2.239 2.133 2.308 . 0 0 "[ . 1 . 2]" 1
224 1 13 THR MG 1 15 GLU QG 3.084 . 4.273 3.181 2.908 3.718 . 0 0 "[ . 1 . 2]" 1
225 1 13 THR MG 1 16 GLN HB2 2.284 . 2.936 2.462 1.780 2.826 . 0 0 "[ . 1 . 2]" 1
226 1 13 THR MG 1 16 GLN HG3 2.510 . 3.298 2.250 1.798 3.174 . 0 0 "[ . 1 . 2]" 1
227 1 14 GLU H 1 14 GLU HA 2.541 . 3.348 2.805 2.797 2.814 . 0 0 "[ . 1 . 2]" 1
228 1 14 GLU H 1 14 GLU QB 2.197 . 2.801 2.285 2.233 2.375 . 0 0 "[ . 1 . 2]" 1
229 1 14 GLU H 1 15 GLU H 2.553 . 3.368 2.779 2.745 2.808 . 0 0 "[ . 1 . 2]" 1
230 1 14 GLU QB 1 15 GLU H 1.927 . 2.391 2.416 2.364 2.481 0.090 13 0 "[ . 1 . 2]" 1
231 1 15 GLU H 1 15 GLU HA 2.195 . 2.797 2.717 2.705 2.727 . 0 0 "[ . 1 . 2]" 1
232 1 15 GLU H 1 15 GLU QG 2.386 . 3.098 2.435 2.200 3.131 0.033 7 0 "[ . 1 . 2]" 1
233 1 15 GLU H 1 16 GLN H 2.735 . 3.670 2.703 2.643 2.774 . 0 0 "[ . 1 . 2]" 1
234 1 15 GLU H 1 16 GLN H 2.250 . 2.883 2.414 2.378 2.432 . 0 0 "[ . 1 . 2]" 1
235 1 15 GLU HA 1 15 GLU QB 2.122 . 2.685 2.408 2.384 2.483 . 0 0 "[ . 1 . 2]" 1
236 1 15 GLU HA 1 15 GLU QB 1.708 . 2.073 2.218 2.153 2.311 0.238 16 0 "[ . 1 . 2]" 1
237 1 15 GLU HA 1 15 GLU QG 1.852 . 2.281 2.315 2.162 2.568 0.287 14 0 "[ . 1 . 2]" 1
238 1 15 GLU HA 1 18 ASN HB2 2.525 . 3.322 3.404 3.317 3.474 0.152 17 0 "[ . 1 . 2]" 1
239 1 15 GLU HA 1 18 ASN HB3 2.357 . 3.052 2.662 2.499 3.006 . 0 0 "[ . 1 . 2]" 1
240 1 15 GLU QB 1 18 ASN HB3 3.002 . 4.129 3.848 3.794 3.920 . 0 0 "[ . 1 . 2]" 1
241 1 16 GLN H 1 16 GLN HA 2.574 . 3.402 2.819 2.798 2.835 . 0 0 "[ . 1 . 2]" 1
242 1 16 GLN H 1 16 GLN HB3 2.621 . 3.480 3.565 3.557 3.573 0.093 3 0 "[ . 1 . 2]" 1
243 1 16 GLN H 1 17 LYS H 2.722 . 3.648 2.718 2.652 2.778 . 0 0 "[ . 1 . 2]" 1
244 1 16 GLN HA 1 16 GLN HB2 2.560 . 3.379 3.025 3.003 3.043 . 0 0 "[ . 1 . 2]" 1
245 1 16 GLN HA 1 16 GLN HB2 1.918 . 2.378 2.373 2.218 2.579 0.201 5 0 "[ . 1 . 2]" 1
246 1 16 GLN HA 1 16 GLN HB3 2.037 . 2.556 2.391 2.229 2.421 . 0 0 "[ . 1 . 2]" 1
247 1 16 GLN HA 1 16 GLN HG2 2.614 . 3.468 2.486 2.281 2.809 . 0 0 "[ . 1 . 2]" 1
248 1 16 GLN HA 1 16 GLN HG3 2.500 . 3.281 3.025 2.744 3.609 0.328 19 0 "[ . 1 . 2]" 1
249 1 16 GLN HA 1 19 GLU H 3.178 . 4.441 3.539 3.442 3.630 . 0 0 "[ . 1 . 2]" 1
250 1 16 GLN HA 1 19 GLU HB2 2.635 . 3.503 3.528 3.373 3.699 0.196 14 0 "[ . 1 . 2]" 1
251 1 16 GLN HA 1 19 GLU HB3 2.175 . 2.766 2.853 2.722 2.942 0.176 13 0 "[ . 1 . 2]" 1
252 1 16 GLN HB2 1 17 LYS H 2.557 . 3.374 2.511 2.446 2.603 . 0 0 "[ . 1 . 2]" 1
253 1 16 GLN HB2 1 20 PHE H 3.137 . 4.367 3.577 3.450 3.966 . 0 0 "[ . 1 . 2]" 1
254 1 16 GLN HB3 1 16 GLN HG2 2.388 . 3.101 2.547 2.388 3.024 . 0 0 "[ . 1 . 2]" 1
255 1 16 GLN HB3 1 16 GLN HG3 2.537 . 3.341 2.947 2.486 3.033 . 0 0 "[ . 1 . 2]" 1
256 1 17 LYS H 1 17 LYS HA 2.356 . 3.050 2.832 2.821 2.844 . 0 0 "[ . 1 . 2]" 1
257 1 17 LYS H 1 17 LYS QB 2.170 . 2.758 2.160 2.042 2.338 . 0 0 "[ . 1 . 2]" 1
258 1 17 LYS HA 1 17 LYS QB 2.100 . 2.651 2.483 2.418 2.531 . 0 0 "[ . 1 . 2]" 1
259 1 17 LYS HA 1 17 LYS HD2 2.314 . 2.983 2.764 2.197 3.271 0.288 16 0 "[ . 1 . 2]" 1
260 1 17 LYS HA 1 17 LYS HD3 2.760 . 3.712 3.411 2.863 3.772 0.060 18 0 "[ . 1 . 2]" 1
261 1 17 LYS HA 1 17 LYS HG3 2.353 . 3.045 2.713 1.935 3.668 0.623 10 8 "[ **.** + ** - 2]" 1
262 1 17 LYS HA 1 17 LYS HG3 2.261 . 2.900 2.417 1.859 3.261 0.361 18 0 "[ . 1 . 2]" 1
263 1 17 LYS HA 1 20 PHE H 2.870 . 3.900 3.583 3.491 3.659 . 0 0 "[ . 1 . 2]" 1
264 1 17 LYS HA 1 20 PHE QB 2.655 . 3.536 2.846 2.645 2.980 . 0 0 "[ . 1 . 2]" 1
265 1 17 LYS HA 1 20 PHE QB 2.837 . 3.843 2.772 2.600 2.879 . 0 0 "[ . 1 . 2]" 1
266 1 17 LYS HA 1 20 PHE HD1 2.535 . 3.338 3.112 2.505 3.386 0.048 5 0 "[ . 1 . 2]" 1
267 1 17 LYS HA 1 78 LEU MD1 2.521 . 3.316 2.618 2.008 3.480 0.164 4 0 "[ . 1 . 2]" 1
268 1 17 LYS HA 1 78 LEU HG 3.421 . 4.884 4.257 3.899 4.897 0.013 5 0 "[ . 1 . 2]" 1
269 1 17 LYS HA 1 78 LEU MD2 2.687 . 3.590 3.007 2.697 3.620 0.030 13 0 "[ . 1 . 2]" 1
270 1 17 LYS QB 1 17 LYS HD3 2.602 . 3.448 2.616 1.920 3.418 . 0 0 "[ . 1 . 2]" 1
271 1 17 LYS QB 1 17 LYS HG3 1.967 . 2.451 2.368 2.169 2.546 0.095 13 0 "[ . 1 . 2]" 1
272 1 17 LYS HD2 1 17 LYS HG2 2.635 . 3.503 2.695 2.435 2.941 . 0 0 "[ . 1 . 2]" 1
273 1 17 LYS HD2 1 17 LYS HG3 1.905 . 2.359 2.093 1.866 2.475 0.116 15 0 "[ . 1 . 2]" 1
274 1 17 LYS HD2 1 78 LEU MD1 3.001 . 4.127 3.265 2.752 4.080 . 0 0 "[ . 1 . 2]" 1
275 1 17 LYS HD3 1 17 LYS QE 2.500 . 3.281 2.339 2.170 2.545 . 0 0 "[ . 1 . 2]" 1
276 1 17 LYS HD3 1 17 LYS HG2 2.959 . 4.053 2.663 2.335 2.949 . 0 0 "[ . 1 . 2]" 1
277 1 17 LYS HD3 1 17 LYS HG3 2.917 . 3.980 2.698 2.439 2.947 . 0 0 "[ . 1 . 2]" 1
278 1 17 LYS HG3 1 78 LEU MD1 3.355 . 4.762 3.914 2.619 5.261 0.499 3 0 "[ . 1 . 2]" 1
279 1 18 ASN H 1 18 ASN HA 2.794 . 3.770 2.823 2.815 2.836 . 0 0 "[ . 1 . 2]" 1
280 1 18 ASN H 1 18 ASN HB2 2.599 . 3.444 2.453 2.330 2.525 . 0 0 "[ . 1 . 2]" 1
281 1 18 ASN H 1 18 ASN HB3 2.282 . 2.933 2.615 2.539 2.746 . 0 0 "[ . 1 . 2]" 1
282 1 18 ASN H 1 19 GLU H 2.654 . 3.535 2.678 2.647 2.713 . 0 0 "[ . 1 . 2]" 1
283 1 18 ASN HA 1 18 ASN HB2 2.249 . 2.881 2.514 2.470 2.577 . 0 0 "[ . 1 . 2]" 1
284 1 18 ASN HA 1 18 ASN HB3 2.432 . 3.171 3.027 3.011 3.032 . 0 0 "[ . 1 . 2]" 1
285 1 18 ASN HA 1 21 LYS H 3.090 . 4.283 3.446 3.322 3.510 . 0 0 "[ . 1 . 2]" 1
286 1 18 ASN HA 1 21 LYS HB2 2.696 . 3.605 2.942 2.267 3.183 . 0 0 "[ . 1 . 2]" 1
287 1 18 ASN HA 1 21 LYS HB3 2.314 . 2.983 2.754 2.236 3.528 0.545 5 1 "[ + 1 . 2]" 1
288 1 18 ASN HA 1 21 LYS QG 3.158 . 4.404 4.083 3.390 4.450 0.046 18 0 "[ . 1 . 2]" 1
289 1 18 ASN HB2 1 19 GLU H 3.079 . 4.264 3.802 3.690 3.876 . 0 0 "[ . 1 . 2]" 1
290 1 18 ASN HB3 1 19 GLU H 2.655 . 3.536 2.554 2.493 2.611 . 0 0 "[ . 1 . 2]" 1
291 1 19 GLU H 1 19 GLU HB3 2.109 . 2.665 2.523 2.403 2.561 . 0 0 "[ . 1 . 2]" 1
292 1 19 GLU H 1 20 PHE H 2.400 . 3.120 2.741 2.703 2.777 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLU HA 1 19 GLU HB2 2.208 . 2.817 2.456 2.402 2.481 . 0 0 "[ . 1 . 2]" 1
294 1 19 GLU HA 1 19 GLU HB3 2.242 . 2.870 3.018 3.010 3.027 0.157 3 0 "[ . 1 . 2]" 1
295 1 19 GLU HA 1 19 GLU HG2 2.158 . 2.740 2.396 1.921 2.939 0.199 15 0 "[ . 1 . 2]" 1
296 1 19 GLU HA 1 19 GLU HG3 2.237 . 2.862 2.552 2.437 3.485 0.623 14 1 "[ . 1 +. 2]" 1
297 1 19 GLU HA 1 20 PHE H 3.005 . 4.134 3.553 3.543 3.559 . 0 0 "[ . 1 . 2]" 1
298 1 19 GLU HA 1 113 LEU QD 2.468 . 3.229 3.080 2.547 3.301 0.072 7 0 "[ . 1 . 2]" 1
299 1 19 GLU HG2 1 22 ALA MB 3.497 . 5.026 4.371 3.644 4.571 . 0 0 "[ . 1 . 2]" 1
300 1 19 GLU HG2 1 113 LEU QD 2.786 . 3.757 2.571 2.191 3.088 . 0 0 "[ . 1 . 2]" 1
301 1 19 GLU HG3 1 113 LEU QD 2.626 . 3.488 2.397 1.759 3.164 0.092 20 0 "[ . 1 . 2]" 1
302 1 20 PHE H 1 20 PHE HA 2.703 . 3.616 2.844 2.833 2.862 . 0 0 "[ . 1 . 2]" 1
303 1 20 PHE H 1 20 PHE QB 2.222 . 2.839 2.358 2.226 2.570 . 0 0 "[ . 1 . 2]" 1
304 1 20 PHE H 1 20 PHE HD1 2.868 . 3.896 3.796 3.422 4.000 0.104 17 0 "[ . 1 . 2]" 1
305 1 20 PHE H 1 21 LYS H 2.601 . 3.447 2.590 2.547 2.632 . 0 0 "[ . 1 . 2]" 1
306 1 20 PHE HA 1 20 PHE QB 2.338 . 3.021 2.406 2.317 2.469 . 0 0 "[ . 1 . 2]" 1
307 1 20 PHE HA 1 21 LYS H 3.640 . 5.296 3.533 3.507 3.554 . 0 0 "[ . 1 . 2]" 1
308 1 20 PHE HA 1 23 ALA H 3.250 . 4.570 3.428 3.188 3.506 . 0 0 "[ . 1 . 2]" 1
309 1 20 PHE HA 1 23 ALA MB 2.328 . 3.006 2.802 2.329 3.139 0.133 9 0 "[ . 1 . 2]" 1
310 1 20 PHE HA 1 77 PHE HE1 2.938 . 4.017 2.569 2.305 3.152 . 0 0 "[ . 1 . 2]" 1
311 1 20 PHE QB 1 21 LYS H 2.727 . 3.656 2.588 2.465 2.716 . 0 0 "[ . 1 . 2]" 1
312 1 20 PHE QB 1 74 PHE HE1 2.570 . 3.396 3.638 2.901 3.856 0.460 15 0 "[ . 1 . 2]" 1
313 1 20 PHE QB 1 77 PHE HE1 2.530 . 3.330 1.965 1.686 2.522 0.044 1 0 "[ . 1 . 2]" 1
314 1 20 PHE QB 1 78 LEU MD1 2.897 . 3.946 3.207 2.203 3.609 . 0 0 "[ . 1 . 2]" 1
315 1 20 PHE QB 1 78 LEU MD2 2.166 . 2.752 1.800 1.577 2.342 0.003 15 0 "[ . 1 . 2]" 1
316 1 20 PHE HD1 1 81 MET HG2 3.396 . 4.838 4.949 4.509 5.189 0.351 1 0 "[ . 1 . 2]" 1
317 1 20 PHE HD1 1 78 LEU MD2 2.575 . 3.404 2.251 1.692 3.449 0.054 5 0 "[ . 1 . 2]" 1
318 1 20 PHE HD1 1 82 VAL MG2 3.557 . 5.139 4.469 3.988 5.041 . 0 0 "[ . 1 . 2]" 1
319 1 21 LYS H 1 21 LYS HA 2.555 . 3.371 2.795 2.777 2.813 . 0 0 "[ . 1 . 2]" 1
320 1 21 LYS H 1 21 LYS HB2 2.383 . 3.093 2.314 2.050 2.564 . 0 0 "[ . 1 . 2]" 1
321 1 21 LYS H 1 21 LYS HB3 2.332 . 3.012 2.819 2.519 3.351 0.339 5 0 "[ . 1 . 2]" 1
322 1 21 LYS H 1 21 LYS QG 3.079 . 4.264 3.831 3.105 4.055 . 0 0 "[ . 1 . 2]" 1
323 1 21 LYS H 1 22 ALA H 2.517 . 3.309 2.702 2.660 2.809 . 0 0 "[ . 1 . 2]" 1
324 1 21 LYS H 1 74 PHE HE1 2.918 . 3.982 3.586 2.979 4.034 0.052 18 0 "[ . 1 . 2]" 1
325 1 21 LYS H 1 77 PHE HE1 3.153 . 4.395 4.349 4.126 4.503 0.108 16 0 "[ . 1 . 2]" 1
326 1 21 LYS HA 1 21 LYS HD2 2.780 . 3.746 3.480 1.927 4.510 0.764 20 6 "[ -. * 1 .*** +]" 1
327 1 21 LYS HA 1 21 LYS QG 2.444 . 3.190 2.316 1.911 2.968 . 0 0 "[ . 1 . 2]" 1
328 1 21 LYS HA 1 24 PHE H 3.361 . 4.773 3.293 3.138 3.535 . 0 0 "[ . 1 . 2]" 1
329 1 21 LYS HA 1 25 ASP H 3.130 . 4.355 4.245 3.905 4.400 0.045 5 0 "[ . 1 . 2]" 1
330 1 21 LYS HA 1 74 PHE HD1 2.857 . 3.877 3.160 2.716 3.826 . 0 0 "[ . 1 . 2]" 1
331 1 21 LYS HA 1 74 PHE HE1 2.353 . 3.045 2.508 2.022 3.115 0.070 18 0 "[ . 1 . 2]" 1
332 1 21 LYS HA 1 77 PHE HE1 2.788 . 3.760 4.141 3.703 4.430 0.670 15 3 "[ . - +* 2]" 1
333 1 21 LYS HB2 1 21 LYS QG 2.228 . 2.849 2.307 2.169 2.551 . 0 0 "[ . 1 . 2]" 1
334 1 21 LYS HB3 1 21 LYS HD2 3.358 . 4.768 3.016 1.919 4.255 0.029 1 0 "[ . 1 . 2]" 1
335 1 21 LYS HB3 1 21 LYS QG 2.170 . 2.758 2.352 2.172 2.543 . 0 0 "[ . 1 . 2]" 1
336 1 21 LYS HD2 1 21 LYS HE2 2.574 . 3.402 2.795 2.468 3.036 . 0 0 "[ . 1 . 2]" 1
337 1 21 LYS HD2 1 21 LYS HE3 2.904 . 3.958 2.503 2.257 3.038 . 0 0 "[ . 1 . 2]" 1
338 1 21 LYS HD2 1 21 LYS QG 2.487 . 3.260 2.362 2.168 2.546 . 0 0 "[ . 1 . 2]" 1
339 1 21 LYS HD3 1 21 LYS HE2 2.871 . 3.901 2.676 2.420 3.034 . 0 0 "[ . 1 . 2]" 1
340 1 21 LYS HD3 1 21 LYS HE3 2.806 . 3.790 2.792 2.464 3.033 . 0 0 "[ . 1 . 2]" 1
341 1 21 LYS HD3 1 21 LYS QG 2.234 . 2.858 2.336 2.165 2.530 . 0 0 "[ . 1 . 2]" 1
342 1 21 LYS HE2 1 21 LYS QG 2.556 . 3.373 2.509 1.942 3.305 . 0 0 "[ . 1 . 2]" 1
343 1 21 LYS HE3 1 21 LYS QG 3.154 . 4.397 2.742 2.241 3.373 . 0 0 "[ . 1 . 2]" 1
344 1 21 LYS QG 1 22 ALA H 3.165 . 4.417 4.122 3.527 4.554 0.137 9 0 "[ . 1 . 2]" 1
345 1 22 ALA H 1 22 ALA HA 2.171 . 2.760 2.808 2.799 2.825 0.065 17 0 "[ . 1 . 2]" 1
346 1 22 ALA H 1 22 ALA MB 2.107 . 2.662 2.125 2.012 2.236 . 0 0 "[ . 1 . 2]" 1
347 1 22 ALA H 1 22 ALA MB 3.099 . 4.300 2.019 1.942 2.091 . 0 0 "[ . 1 . 2]" 1
348 1 22 ALA HA 1 22 ALA MB 1.876 . 2.316 2.128 2.104 2.153 . 0 0 "[ . 1 . 2]" 1
349 1 22 ALA HA 1 25 ASP HB3 2.392 . 3.107 3.144 3.023 3.217 0.110 10 0 "[ . 1 . 2]" 1
350 1 22 ALA HA 1 26 ILE MD 2.761 . 3.714 3.516 2.999 3.841 0.127 17 0 "[ . 1 . 2]" 1
351 1 22 ALA MB 1 23 ALA H 2.547 . 3.358 2.543 2.437 2.675 . 0 0 "[ . 1 . 2]" 1
352 1 22 ALA MB 1 25 ASP HB3 2.467 . 3.228 2.911 2.078 3.489 0.261 19 0 "[ . 1 . 2]" 1
353 1 23 ALA H 1 23 ALA MB 2.469 . 3.231 2.136 2.052 2.242 . 0 0 "[ . 1 . 2]" 1
354 1 23 ALA H 1 24 PHE H 2.755 . 3.704 2.635 2.578 2.703 . 0 0 "[ . 1 . 2]" 1
355 1 23 ALA H 1 25 ASP H 3.557 . 5.139 4.314 4.238 4.392 . 0 0 "[ . 1 . 2]" 1
356 1 23 ALA H 1 26 ILE MD 3.770 . 5.547 3.453 2.799 4.082 . 0 0 "[ . 1 . 2]" 1
357 1 23 ALA HA 1 23 ALA MB 2.200 . 2.805 2.120 2.100 2.143 . 0 0 "[ . 1 . 2]" 1
358 1 23 ALA HA 1 26 ILE H 3.182 . 4.448 3.472 3.407 3.542 . 0 0 "[ . 1 . 2]" 1
359 1 23 ALA HA 1 26 ILE HB 2.982 . 4.094 2.717 2.542 2.864 . 0 0 "[ . 1 . 2]" 1
360 1 23 ALA HA 1 26 ILE MD 2.435 . 3.176 2.934 2.510 3.244 0.068 7 0 "[ . 1 . 2]" 1
361 1 23 ALA HA 1 26 ILE MG 3.003 . 4.130 3.938 3.825 4.106 . 0 0 "[ . 1 . 2]" 1
362 1 23 ALA MB 1 24 PHE H 2.753 . 3.700 2.624 2.503 2.704 . 0 0 "[ . 1 . 2]" 1
363 1 23 ALA MB 1 27 PHE HD1 2.479 . 3.247 2.933 2.233 3.275 0.028 17 0 "[ . 1 . 2]" 1
364 1 23 ALA MB 1 112 LEU MD1 2.396 . 3.114 2.395 1.918 2.977 . 0 0 "[ . 1 . 2]" 1
365 1 23 ALA MB 1 112 LEU MD2 3.724 . 5.458 4.268 3.956 4.735 . 0 0 "[ . 1 . 2]" 1
366 1 23 ALA MB 1 113 LEU QD 3.014 . 4.150 2.965 2.215 3.934 . 0 0 "[ . 1 . 2]" 1
367 1 24 PHE H 1 24 PHE HA 2.724 . 3.652 2.803 2.793 2.811 . 0 0 "[ . 1 . 2]" 1
368 1 24 PHE H 1 24 PHE HB2 2.755 . 3.704 2.791 2.675 2.881 . 0 0 "[ . 1 . 2]" 1
369 1 24 PHE H 1 24 PHE HB3 3.007 . 4.137 2.306 2.230 2.410 . 0 0 "[ . 1 . 2]" 1
370 1 24 PHE H 1 26 ILE H 3.134 . 4.362 4.269 4.147 4.382 0.020 9 0 "[ . 1 . 2]" 1
371 1 24 PHE HA 1 24 PHE HB2 2.460 . 3.217 2.337 2.289 2.398 . 0 0 "[ . 1 . 2]" 1
372 1 24 PHE HA 1 24 PHE HB2 2.310 . 2.977 2.283 2.241 2.324 . 0 0 "[ . 1 . 2]" 1
373 1 24 PHE HA 1 24 PHE HB3 2.234 . 2.858 3.004 2.987 3.027 0.169 17 0 "[ . 1 . 2]" 1
374 1 24 PHE HA 1 24 PHE HD1 3.774 . 5.555 2.885 2.604 3.159 . 0 0 "[ . 1 . 2]" 1
375 1 24 PHE HA 1 25 ASP H 3.666 . 5.346 3.561 3.552 3.569 . 0 0 "[ . 1 . 2]" 1
376 1 24 PHE HA 1 26 ILE H 2.709 . 3.627 3.714 3.428 3.849 0.222 8 0 "[ . 1 . 2]" 1
377 1 24 PHE HA 1 74 PHE HD1 3.598 . 5.216 5.331 4.857 5.541 0.325 8 0 "[ . 1 . 2]" 1
378 1 24 PHE HB2 1 24 PHE HD1 3.388 . 4.823 2.542 2.443 2.649 . 0 0 "[ . 1 . 2]" 1
379 1 24 PHE HB2 1 28 VAL MG2 3.086 . 4.276 4.260 4.072 4.398 0.122 7 0 "[ . 1 . 2]" 1
380 1 24 PHE HB2 1 74 PHE HD1 2.911 . 3.970 3.066 2.568 3.306 . 0 0 "[ . 1 . 2]" 1
381 1 24 PHE HB3 1 24 PHE HD1 3.607 . 5.234 3.743 3.691 3.783 . 0 0 "[ . 1 . 2]" 1
382 1 24 PHE HB3 1 25 ASP H 2.812 . 3.801 2.564 2.482 2.654 . 0 0 "[ . 1 . 2]" 1
383 1 24 PHE HB3 1 28 VAL MG1 3.474 . 4.983 3.644 3.383 3.983 . 0 0 "[ . 1 . 2]" 1
384 1 24 PHE HB3 1 36 ILE MD 2.990 . 4.107 2.705 2.254 3.164 . 0 0 "[ . 1 . 2]" 1
385 1 24 PHE HB3 1 36 ILE MD 3.363 . 4.776 4.783 4.580 5.285 0.509 11 1 "[ . 1+ . 2]" 1
386 1 24 PHE HB3 1 74 PHE HD1 3.182 . 4.448 3.250 2.957 3.504 . 0 0 "[ . 1 . 2]" 1
387 1 24 PHE HD1 1 35 SER HA 3.071 . 4.250 4.301 4.121 4.478 0.228 9 0 "[ . 1 . 2]" 1
388 1 24 PHE HD1 1 36 ILE H 3.522 . 5.073 4.445 4.041 5.069 . 0 0 "[ . 1 . 2]" 1
389 1 24 PHE HD1 1 72 VAL MG1 3.323 . 4.703 4.295 3.874 4.672 . 0 0 "[ . 1 . 2]" 1
390 1 24 PHE HD1 1 73 ASP HA 2.896 . 3.945 4.075 3.979 4.236 0.291 10 0 "[ . 1 . 2]" 1
391 1 24 PHE HD1 1 74 PHE H 3.799 . 5.603 4.336 4.082 4.552 . 0 0 "[ . 1 . 2]" 1
392 1 24 PHE HD1 1 74 PHE HA 2.755 . 3.704 2.997 2.616 3.446 . 0 0 "[ . 1 . 2]" 1
393 1 24 PHE HE1 1 35 SER HA 2.671 . 3.563 2.296 2.045 2.978 . 0 0 "[ . 1 . 2]" 1
394 1 24 PHE HE1 1 73 ASP HA 2.612 . 3.465 2.642 2.143 3.257 . 0 0 "[ . 1 . 2]" 1
395 1 24 PHE HE1 1 74 PHE H 3.463 . 4.962 3.441 2.906 4.008 . 0 0 "[ . 1 . 2]" 1
396 1 25 ASP H 1 25 ASP HB2 2.596 . 3.438 2.379 2.276 2.508 . 0 0 "[ . 1 . 2]" 1
397 1 25 ASP H 1 25 ASP HB3 2.307 . 2.972 2.471 2.345 2.577 . 0 0 "[ . 1 . 2]" 1
398 1 25 ASP H 1 26 ILE H 2.725 . 3.654 2.766 2.699 2.813 . 0 0 "[ . 1 . 2]" 1
399 1 25 ASP HA 1 25 ASP HB2 2.337 . 3.020 2.471 2.443 2.511 . 0 0 "[ . 1 . 2]" 1
400 1 25 ASP HA 1 25 ASP HB3 2.569 . 3.394 3.031 3.027 3.038 . 0 0 "[ . 1 . 2]" 1
401 1 25 ASP HA 1 28 VAL MG1 3.030 . 4.178 4.114 3.647 4.413 0.235 11 0 "[ . 1 . 2]" 1
402 1 25 ASP HA 1 28 VAL MG2 2.168 . 2.755 2.247 2.091 2.484 . 0 0 "[ . 1 . 2]" 1
403 1 25 ASP HB2 1 26 ILE H 3.129 . 4.353 3.783 3.736 3.829 . 0 0 "[ . 1 . 2]" 1
404 1 25 ASP HB2 1 28 VAL MG2 3.542 . 5.110 4.280 4.083 4.488 . 0 0 "[ . 1 . 2]" 1
405 1 25 ASP HB2 1 28 VAL MG2 3.059 . 4.228 4.204 4.023 4.400 0.172 9 0 "[ . 1 . 2]" 1
406 1 25 ASP HB3 1 26 ILE H 3.023 . 4.165 2.434 2.368 2.520 . 0 0 "[ . 1 . 2]" 1
407 1 25 ASP HB3 1 28 VAL MG2 3.083 . 4.271 3.842 3.607 4.036 . 0 0 "[ . 1 . 2]" 1
408 1 26 ILE H 1 26 ILE HA 2.905 . 3.960 2.845 2.830 2.860 . 0 0 "[ . 1 . 2]" 1
409 1 26 ILE H 1 26 ILE HB 2.330 . 3.008 2.421 2.395 2.449 . 0 0 "[ . 1 . 2]" 1
410 1 26 ILE H 1 26 ILE MD 2.671 . 3.563 3.189 3.155 3.227 . 0 0 "[ . 1 . 2]" 1
411 1 26 ILE H 1 26 ILE HG12 2.548 . 3.359 3.604 3.538 3.663 0.304 17 0 "[ . 1 . 2]" 1
412 1 26 ILE H 1 26 ILE HG13 2.994 . 4.115 2.257 2.176 2.320 . 0 0 "[ . 1 . 2]" 1
413 1 26 ILE H 1 27 PHE H 2.501 . 3.283 2.611 2.560 2.663 . 0 0 "[ . 1 . 2]" 1
414 1 26 ILE H 1 27 PHE HB2 3.142 . 4.376 4.420 4.368 4.460 0.084 8 0 "[ . 1 . 2]" 1
415 1 26 ILE HA 1 26 ILE HB 2.640 . 3.511 3.026 3.021 3.033 . 0 0 "[ . 1 . 2]" 1
416 1 26 ILE HA 1 26 ILE HG12 2.743 . 3.684 2.532 2.500 2.578 . 0 0 "[ . 1 . 2]" 1
417 1 26 ILE HA 1 26 ILE HG13 2.608 . 3.458 2.821 2.789 2.870 . 0 0 "[ . 1 . 2]" 1
418 1 26 ILE HA 1 26 ILE MG 2.198 . 2.802 2.385 2.298 2.500 . 0 0 "[ . 1 . 2]" 1
419 1 26 ILE HA 1 29 LEU H 3.087 . 4.278 3.704 3.166 3.868 . 0 0 "[ . 1 . 2]" 1
420 1 26 ILE HA 1 29 LEU HB2 2.924 . 3.993 3.098 2.102 3.583 . 0 0 "[ . 1 . 2]" 1
421 1 26 ILE HA 1 29 LEU HB3 3.045 . 4.204 3.836 1.977 4.020 . 0 0 "[ . 1 . 2]" 1
422 1 26 ILE HA 1 29 LEU MD1 2.571 . 3.397 2.922 1.999 3.538 0.141 9 0 "[ . 1 . 2]" 1
423 1 26 ILE HA 1 29 LEU MD2 3.178 . 4.440 3.273 2.662 3.594 . 0 0 "[ . 1 . 2]" 1
424 1 26 ILE HA 1 29 LEU HG 2.320 . 2.993 2.564 1.897 3.211 0.218 9 0 "[ . 1 . 2]" 1
425 1 26 ILE HB 1 26 ILE MD 2.268 . 2.911 2.247 2.126 2.345 . 0 0 "[ . 1 . 2]" 1
426 1 26 ILE HB 1 26 ILE MD 2.102 . 2.654 1.945 1.904 1.988 . 0 0 "[ . 1 . 2]" 1
427 1 26 ILE HB 1 26 ILE HG12 2.584 . 3.419 3.025 3.020 3.030 . 0 0 "[ . 1 . 2]" 1
428 1 26 ILE HB 1 26 ILE HG13 2.280 . 2.930 2.540 2.519 2.564 . 0 0 "[ . 1 . 2]" 1
429 1 26 ILE HB 1 26 ILE HG13 2.503 . 3.286 2.408 2.370 2.433 . 0 0 "[ . 1 . 2]" 1
430 1 26 ILE HB 1 26 ILE MG 2.173 . 2.764 2.100 2.038 2.128 . 0 0 "[ . 1 . 2]" 1
431 1 26 ILE HB 1 27 PHE H 2.747 . 3.691 2.611 2.560 2.668 . 0 0 "[ . 1 . 2]" 1
432 1 26 ILE HB 1 112 LEU MD1 2.222 . 2.839 2.368 1.733 2.746 . 0 0 "[ . 1 . 2]" 1
433 1 26 ILE MD 1 26 ILE HG12 1.944 . 2.416 2.130 2.108 2.151 . 0 0 "[ . 1 . 2]" 1
434 1 26 ILE MD 1 26 ILE HG13 2.088 . 2.633 2.097 2.077 2.117 . 0 0 "[ . 1 . 2]" 1
435 1 26 ILE MD 1 112 LEU HA 2.608 . 3.458 3.047 2.610 3.450 . 0 0 "[ . 1 . 2]" 1
436 1 26 ILE HG12 1 26 ILE MG 2.605 . 3.453 2.262 2.162 2.346 . 0 0 "[ . 1 . 2]" 1
437 1 26 ILE HG13 1 26 ILE MG 2.436 . 3.178 3.178 3.164 3.189 0.011 12 0 "[ . 1 . 2]" 1
438 1 26 ILE HG13 1 29 LEU MD1 2.642 . 3.514 3.092 2.475 3.621 0.107 1 0 "[ . 1 . 2]" 1
439 1 26 ILE MG 1 27 PHE H 3.149 . 4.388 3.352 3.243 3.482 . 0 0 "[ . 1 . 2]" 1
440 1 26 ILE MG 1 29 LEU HG 2.899 . 3.949 3.761 3.345 4.056 0.107 7 0 "[ . 1 . 2]" 1
441 1 26 ILE MG 1 47 MET ME 2.462 . 3.220 2.709 2.421 3.055 . 0 0 "[ . 1 . 2]" 1
442 1 26 ILE MG 1 47 MET HG2 2.963 . 4.061 2.440 1.735 4.066 0.130 20 0 "[ . 1 . 2]" 1
443 1 26 ILE MG 1 112 LEU HA 3.034 . 4.185 3.253 2.697 3.730 . 0 0 "[ . 1 . 2]" 1
444 1 27 PHE H 1 27 PHE HB2 2.524 . 3.321 2.077 2.044 2.124 . 0 0 "[ . 1 . 2]" 1
445 1 27 PHE H 1 27 PHE HB3 3.066 . 4.241 3.185 3.059 3.415 . 0 0 "[ . 1 . 2]" 1
446 1 27 PHE H 1 28 VAL H 2.869 . 3.898 2.729 2.664 2.847 . 0 0 "[ . 1 . 2]" 1
447 1 27 PHE HA 1 27 PHE HB2 2.680 . 3.578 2.799 2.728 2.925 . 0 0 "[ . 1 . 2]" 1
448 1 27 PHE HA 1 27 PHE HB3 2.173 . 2.763 2.875 2.748 2.937 0.174 13 0 "[ . 1 . 2]" 1
449 1 27 PHE HA 1 27 PHE HD1 2.510 . 3.298 3.378 3.277 3.483 0.185 9 0 "[ . 1 . 2]" 1
450 1 27 PHE HA 1 28 VAL H 3.098 . 4.298 2.796 2.785 2.802 . 0 0 "[ . 1 . 2]" 1
451 1 27 PHE HA 1 44 VAL MG2 2.637 . 3.506 2.375 2.023 2.913 . 0 0 "[ . 1 . 2]" 1
452 1 27 PHE HA 1 112 LEU MD2 2.955 . 4.047 3.569 3.053 4.052 0.005 13 0 "[ . 1 . 2]" 1
453 1 27 PHE HB2 1 28 VAL H 3.275 . 4.616 3.261 2.904 3.476 . 0 0 "[ . 1 . 2]" 1
454 1 27 PHE HB3 1 28 VAL H 3.148 . 4.386 2.825 2.629 3.046 . 0 0 "[ . 1 . 2]" 1
455 1 27 PHE HB3 1 36 ILE MD 3.347 . 4.747 2.057 1.891 2.621 0.056 19 0 "[ . 1 . 2]" 1
456 1 27 PHE HB3 1 36 ILE MG 2.903 . 3.957 3.342 2.207 3.901 . 0 0 "[ . 1 . 2]" 1
457 1 27 PHE HD1 1 36 ILE MD 2.542 . 3.350 3.326 3.115 3.473 0.123 17 0 "[ . 1 . 2]" 1
458 1 27 PHE HD1 1 112 LEU MD1 2.639 . 3.510 2.253 2.059 2.630 . 0 0 "[ . 1 . 2]" 1
459 1 27 PHE HE1 1 44 VAL MG2 2.919 . 3.984 3.490 2.943 3.935 . 0 0 "[ . 1 . 2]" 1
460 1 27 PHE HE1 1 44 VAL MG1 2.645 . 3.519 2.821 2.170 3.522 0.003 7 0 "[ . 1 . 2]" 1
461 1 27 PHE HE1 1 81 MET ME 3.204 . 4.487 3.923 3.394 4.540 0.053 6 0 "[ . 1 . 2]" 1
462 1 27 PHE HE1 1 108 MET ME 2.723 . 3.650 2.351 1.707 3.763 0.113 8 0 "[ . 1 . 2]" 1
463 1 27 PHE HE1 1 112 LEU MD2 2.849 . 3.864 3.811 3.479 4.060 0.196 8 0 "[ . 1 . 2]" 1
464 1 28 VAL H 1 28 VAL HB 3.094 . 4.291 3.664 3.604 3.700 . 0 0 "[ . 1 . 2]" 1
465 1 28 VAL H 1 28 VAL MG1 2.775 . 3.738 2.357 2.037 2.848 . 0 0 "[ . 1 . 2]" 1
466 1 28 VAL H 1 28 VAL MG2 2.487 . 3.260 2.128 1.748 2.347 . 0 0 "[ . 1 . 2]" 1
467 1 28 VAL H 1 29 LEU H 2.647 . 3.523 2.804 2.318 2.908 . 0 0 "[ . 1 . 2]" 1
468 1 28 VAL HA 1 28 VAL MG1 2.381 . 3.089 2.363 2.103 2.535 . 0 0 "[ . 1 . 2]" 1
469 1 28 VAL HA 1 28 VAL MG2 2.347 . 3.036 3.165 3.148 3.184 0.148 6 0 "[ . 1 . 2]" 1
470 1 28 VAL HA 1 29 LEU H 2.330 . 3.009 2.563 2.543 2.636 . 0 0 "[ . 1 . 2]" 1
471 1 28 VAL HA 1 31 ALA MB 2.499 . 3.280 2.403 2.242 2.595 . 0 0 "[ . 1 . 2]" 1
472 1 28 VAL HA 1 40 GLU HG2 2.635 . 3.503 2.182 1.776 3.629 0.126 17 0 "[ . 1 . 2]" 1
473 1 28 VAL HA 1 40 GLU HG3 3.252 . 4.574 3.399 2.157 4.121 . 0 0 "[ . 1 . 2]" 1
474 1 28 VAL HB 1 28 VAL MG1 2.314 . 2.983 2.135 2.100 2.150 . 0 0 "[ . 1 . 2]" 1
475 1 28 VAL HB 1 28 VAL MG2 2.033 . 2.550 2.117 2.107 2.148 . 0 0 "[ . 1 . 2]" 1
476 1 28 VAL HB 1 29 LEU H 3.700 . 5.412 4.363 4.265 4.473 . 0 0 "[ . 1 . 2]" 1
477 1 28 VAL HB 1 31 ALA MB 2.343 . 3.029 1.882 1.750 2.461 . 0 0 "[ . 1 . 2]" 1
478 1 28 VAL HB 1 35 SER H 3.299 . 4.659 3.796 3.252 4.207 . 0 0 "[ . 1 . 2]" 1
479 1 28 VAL MG1 1 28 VAL MG2 2.114 . 2.673 1.975 1.833 2.078 . 0 0 "[ . 1 . 2]" 1
480 1 28 VAL MG1 1 31 ALA MB 2.952 . 4.041 3.041 2.544 3.542 . 0 0 "[ . 1 . 2]" 1
481 1 28 VAL MG1 1 31 ALA MB 2.503 . 3.286 2.371 1.681 2.929 0.039 1 0 "[ . 1 . 2]" 1
482 1 28 VAL MG1 1 35 SER H 3.388 . 4.823 3.558 3.114 3.982 . 0 0 "[ . 1 . 2]" 1
483 1 28 VAL MG1 1 35 SER HA 2.723 . 3.650 2.256 1.865 2.585 . 0 0 "[ . 1 . 2]" 1
484 1 28 VAL MG1 1 36 ILE H 3.041 . 4.197 2.647 2.388 2.958 . 0 0 "[ . 1 . 2]" 1
485 1 28 VAL MG1 1 36 ILE HA 2.838 . 3.845 2.316 1.932 2.969 . 0 0 "[ . 1 . 2]" 1
486 1 28 VAL MG1 1 36 ILE MD 2.607 . 3.457 2.411 1.838 3.136 . 0 0 "[ . 1 . 2]" 1
487 1 28 VAL MG1 1 36 ILE HG12 2.860 . 3.882 2.604 1.691 3.434 0.147 1 0 "[ . 1 . 2]" 1
488 1 28 VAL MG1 1 36 ILE MG 2.951 . 4.039 3.550 3.056 4.026 . 0 0 "[ . 1 . 2]" 1
489 1 28 VAL MG2 1 29 LEU H 3.111 . 4.321 3.339 2.559 3.506 . 0 0 "[ . 1 . 2]" 1
490 1 28 VAL MG2 1 31 ALA H 3.327 . 4.711 3.890 3.606 4.149 . 0 0 "[ . 1 . 2]" 1
491 1 28 VAL MG2 1 31 ALA MB 2.547 . 3.358 2.946 2.642 3.359 0.001 9 0 "[ . 1 . 2]" 1
492 1 28 VAL MG2 1 34 GLY HA2 2.629 . 3.493 2.534 2.336 2.731 . 0 0 "[ . 1 . 2]" 1
493 1 28 VAL MG2 1 35 SER H 3.297 . 4.656 4.552 4.291 4.697 0.041 9 0 "[ . 1 . 2]" 1
494 1 28 VAL MG2 1 35 SER HA 3.489 . 5.011 4.129 3.877 4.386 . 0 0 "[ . 1 . 2]" 1
495 1 28 VAL MG2 1 36 ILE MD 2.840 . 3.848 3.971 3.791 4.143 0.295 14 0 "[ . 1 . 2]" 1
496 1 29 LEU H 1 29 LEU HB2 2.797 . 3.775 2.105 2.026 2.803 . 0 0 "[ . 1 . 2]" 1
497 1 29 LEU H 1 29 LEU HB3 2.247 . 2.878 3.053 2.282 3.295 0.417 19 0 "[ . 1 . 2]" 1
498 1 29 LEU H 1 29 LEU MD2 3.019 . 4.159 4.109 3.969 4.219 0.060 11 0 "[ . 1 . 2]" 1
499 1 29 LEU H 1 30 GLY H 3.213 . 4.504 4.435 4.321 4.503 . 0 0 "[ . 1 . 2]" 1
500 1 29 LEU H 1 31 ALA H 3.984 . 5.968 4.247 4.168 4.358 . 0 0 "[ . 1 . 2]" 1
501 1 29 LEU HA 1 29 LEU HB2 2.318 . 2.990 2.769 2.317 2.935 . 0 0 "[ . 1 . 2]" 1
502 1 29 LEU HA 1 29 LEU HB3 2.381 . 3.089 2.881 2.724 2.983 . 0 0 "[ . 1 . 2]" 1
503 1 29 LEU HA 1 29 LEU HB3 2.162 . 2.746 2.269 2.110 2.870 0.124 9 0 "[ . 1 . 2]" 1
504 1 29 LEU HA 1 29 LEU MD1 2.626 . 3.488 3.651 3.443 3.695 0.207 16 0 "[ . 1 . 2]" 1
505 1 29 LEU HA 1 29 LEU MD2 2.210 . 2.820 2.137 1.838 2.430 . 0 0 "[ . 1 . 2]" 1
506 1 29 LEU HA 1 29 LEU HG 2.738 . 3.675 2.407 2.174 3.732 0.057 9 0 "[ . 1 . 2]" 1
507 1 29 LEU HA 1 30 GLY H 2.489 . 3.264 2.155 2.142 2.187 . 0 0 "[ . 1 . 2]" 1
508 1 29 LEU HA 1 31 ALA H 2.434 . 3.175 3.021 2.985 3.113 . 0 0 "[ . 1 . 2]" 1
509 1 29 LEU HB2 1 29 LEU HG 1.976 . 2.464 2.471 2.339 2.563 0.099 10 0 "[ . 1 . 2]" 1
510 1 29 LEU HB3 1 29 LEU MD1 2.246 . 2.876 2.351 2.060 2.551 . 0 0 "[ . 1 . 2]" 1
511 1 29 LEU HB3 1 29 LEU MD1 2.435 . 3.176 1.970 1.857 2.036 . 0 0 "[ . 1 . 2]" 1
512 1 29 LEU HB3 1 29 LEU MD2 2.140 . 2.712 1.974 1.887 2.086 . 0 0 "[ . 1 . 2]" 1
513 1 29 LEU MD1 1 43 LYS QD 2.725 . 3.653 3.682 3.497 3.776 0.123 16 0 "[ . 1 . 2]" 1
514 1 30 GLY H 1 30 GLY HA3 2.578 . 3.409 2.913 2.897 2.948 . 0 0 "[ . 1 . 2]" 1
515 1 30 GLY H 1 31 ALA H 2.462 . 3.220 2.496 2.397 2.556 . 0 0 "[ . 1 . 2]" 1
516 1 30 GLY HA3 1 31 ALA H 2.648 . 3.525 3.259 3.164 3.299 . 0 0 "[ . 1 . 2]" 1
517 1 31 ALA H 1 31 ALA HA 2.631 . 3.496 2.838 2.793 2.870 . 0 0 "[ . 1 . 2]" 1
518 1 31 ALA H 1 31 ALA MB 2.122 . 2.685 2.165 2.061 2.237 . 0 0 "[ . 1 . 2]" 1
519 1 31 ALA H 1 32 GLU H 3.779 . 5.564 4.537 4.480 4.599 . 0 0 "[ . 1 . 2]" 1
520 1 31 ALA HA 1 31 ALA MB 2.020 . 2.530 2.128 2.107 2.144 . 0 0 "[ . 1 . 2]" 1
521 1 31 ALA HA 1 32 GLU H 2.735 . 3.670 2.160 2.146 2.194 . 0 0 "[ . 1 . 2]" 1
522 1 31 ALA HA 1 33 ASP H 3.537 . 5.101 3.949 3.757 4.113 . 0 0 "[ . 1 . 2]" 1
523 1 31 ALA MB 1 32 GLU H 3.062 . 4.234 3.151 2.968 3.281 . 0 0 "[ . 1 . 2]" 1
524 1 31 ALA MB 1 33 ASP H 2.831 . 3.833 3.210 3.028 3.399 . 0 0 "[ . 1 . 2]" 1
525 1 31 ALA MB 1 34 GLY H 2.608 . 3.458 2.141 1.928 2.299 . 0 0 "[ . 1 . 2]" 1
526 1 31 ALA MB 1 34 GLY HA2 2.632 . 3.498 2.186 1.995 2.310 . 0 0 "[ . 1 . 2]" 1
527 1 31 ALA MB 1 34 GLY HA3 2.544 . 3.353 3.617 3.476 3.727 0.374 19 0 "[ . 1 . 2]" 1
528 1 31 ALA MB 1 35 SER H 2.537 . 3.341 2.951 2.486 3.216 . 0 0 "[ . 1 . 2]" 1
529 1 31 ALA MB 1 40 GLU HG2 2.697 . 3.606 2.584 2.211 3.554 . 0 0 "[ . 1 . 2]" 1
530 1 31 ALA MB 1 40 GLU HG3 2.604 . 3.452 3.538 3.100 3.661 0.209 20 0 "[ . 1 . 2]" 1
531 1 32 GLU H 1 32 GLU QB 2.775 . 3.738 2.347 2.072 2.553 . 0 0 "[ . 1 . 2]" 1
532 1 32 GLU H 1 32 GLU QG 3.371 . 4.791 2.978 1.913 4.024 0.038 2 0 "[ . 1 . 2]" 1
533 1 32 GLU H 1 33 ASP H 2.893 . 3.939 2.608 2.461 2.700 . 0 0 "[ . 1 . 2]" 1
534 1 32 GLU HA 1 32 GLU QB 1.817 . 2.230 2.332 2.186 2.512 0.282 19 0 "[ . 1 . 2]" 1
535 1 32 GLU QB 1 33 ASP H 2.551 . 3.365 2.769 2.457 3.485 0.120 12 0 "[ . 1 . 2]" 1
536 1 33 ASP H 1 33 ASP HA 2.305 . 2.969 2.907 2.876 2.931 . 0 0 "[ . 1 . 2]" 1
537 1 33 ASP H 1 33 ASP HB2 3.119 . 4.335 2.691 2.262 3.639 . 0 0 "[ . 1 . 2]" 1
538 1 33 ASP H 1 33 ASP HB3 2.949 . 4.036 3.236 2.533 3.653 . 0 0 "[ . 1 . 2]" 1
539 1 33 ASP H 1 34 GLY H 2.450 . 3.201 2.335 2.219 2.442 . 0 0 "[ . 1 . 2]" 1
540 1 33 ASP H 1 35 SER H 3.234 . 4.542 3.694 3.468 3.885 . 0 0 "[ . 1 . 2]" 1
541 1 33 ASP HA 1 33 ASP HB2 2.575 . 3.404 2.815 2.455 3.030 . 0 0 "[ . 1 . 2]" 1
542 1 33 ASP HA 1 33 ASP HB3 2.392 . 3.107 2.595 2.432 3.028 . 0 0 "[ . 1 . 2]" 1
543 1 34 GLY H 1 34 GLY HA2 2.189 . 2.788 2.331 2.300 2.365 . 0 0 "[ . 1 . 2]" 1
544 1 35 SER H 1 35 SER HA 2.859 . 3.881 2.940 2.915 2.960 . 0 0 "[ . 1 . 2]" 1
545 1 35 SER H 1 35 SER HB2 3.008 . 4.139 2.888 2.453 3.664 . 0 0 "[ . 1 . 2]" 1
546 1 35 SER H 1 35 SER HB3 2.911 . 3.970 3.376 2.516 3.840 . 0 0 "[ . 1 . 2]" 1
547 1 35 SER HA 1 35 SER HB2 2.380 . 3.088 2.832 2.423 3.028 . 0 0 "[ . 1 . 2]" 1
548 1 35 SER HA 1 35 SER HB3 2.406 . 3.130 2.479 2.268 3.030 . 0 0 "[ . 1 . 2]" 1
549 1 35 SER HA 1 36 ILE H 2.599 . 3.443 2.376 2.227 2.524 . 0 0 "[ . 1 . 2]" 1
550 1 35 SER HA 1 73 ASP HA 2.596 . 3.439 2.830 2.307 3.400 . 0 0 "[ . 1 . 2]" 1
551 1 35 SER HB2 1 73 ASP HB2 2.886 . 3.927 3.127 2.575 3.726 . 0 0 "[ . 1 . 2]" 1
552 1 35 SER HB2 1 71 THR HB 2.332 . 3.012 2.693 1.781 3.398 0.386 2 0 "[ . 1 . 2]" 1
553 1 35 SER HB2 1 72 VAL H 3.854 . 5.711 4.396 3.235 5.038 . 0 0 "[ . 1 . 2]" 1
554 1 35 SER HB2 1 73 ASP HA 3.192 . 4.465 3.994 3.085 4.341 . 0 0 "[ . 1 . 2]" 1
555 1 35 SER HB3 1 36 ILE H 3.027 . 4.172 3.003 2.240 3.865 . 0 0 "[ . 1 . 2]" 1
556 1 35 SER HB3 1 71 THR MG 2.926 . 3.997 3.232 2.822 3.449 . 0 0 "[ . 1 . 2]" 1
557 1 35 SER HB3 1 71 THR HB 2.508 . 3.294 2.988 2.203 3.312 0.018 3 0 "[ . 1 . 2]" 1
558 1 35 SER HB3 1 71 THR MG 3.096 . 4.294 4.161 3.096 4.442 0.148 12 0 "[ . 1 . 2]" 1
559 1 35 SER HB3 1 72 VAL H 4.067 . 6.135 4.190 3.193 5.402 . 0 0 "[ . 1 . 2]" 1
560 1 35 SER HB3 1 73 ASP HA 2.915 . 3.977 3.099 2.475 4.516 0.539 2 1 "[ + . 1 . 2]" 1
561 1 36 ILE H 1 36 ILE HB 2.614 . 3.468 2.388 2.251 2.573 . 0 0 "[ . 1 . 2]" 1
562 1 36 ILE H 1 36 ILE MD 2.683 . 3.583 3.021 2.273 3.659 0.076 19 0 "[ . 1 . 2]" 1
563 1 36 ILE H 1 36 ILE HG12 2.791 . 3.765 3.937 3.468 4.294 0.529 12 2 "[ . -1 + . 2]" 1
564 1 36 ILE H 1 36 ILE MG 3.136 . 4.366 3.728 3.641 3.821 . 0 0 "[ . 1 . 2]" 1
565 1 36 ILE H 1 72 VAL H 2.685 . 3.586 3.051 2.112 3.520 . 0 0 "[ . 1 . 2]" 1
566 1 36 ILE H 1 72 VAL HB 3.114 . 4.326 3.441 2.920 3.710 . 0 0 "[ . 1 . 2]" 1
567 1 36 ILE HA 1 36 ILE MD 3.062 . 4.234 3.661 3.377 3.858 . 0 0 "[ . 1 . 2]" 1
568 1 36 ILE HA 1 36 ILE MD 3.529 . 5.086 3.321 3.209 3.458 . 0 0 "[ . 1 . 2]" 1
569 1 36 ILE HA 1 36 ILE HG12 2.849 . 3.863 2.907 2.555 3.297 . 0 0 "[ . 1 . 2]" 1
570 1 36 ILE HA 1 36 ILE MG 2.442 . 3.187 2.410 2.217 2.566 . 0 0 "[ . 1 . 2]" 1
571 1 36 ILE HA 1 37 SER H 2.494 . 3.271 2.152 2.132 2.172 . 0 0 "[ . 1 . 2]" 1
572 1 36 ILE HA 1 40 GLU HB2 2.662 . 3.548 2.662 2.460 2.851 . 0 0 "[ . 1 . 2]" 1
573 1 36 ILE HA 1 40 GLU HB3 2.947 . 4.032 3.256 3.071 3.591 . 0 0 "[ . 1 . 2]" 1
574 1 36 ILE HA 1 40 GLU HG2 3.048 . 4.209 3.597 3.184 4.315 0.106 10 0 "[ . 1 . 2]" 1
575 1 36 ILE HA 1 61 ILE MD 3.334 . 4.723 4.762 4.492 4.849 0.126 1 0 "[ . 1 . 2]" 1
576 1 36 ILE HB 1 36 ILE MD 2.432 . 3.171 2.083 1.896 2.362 . 0 0 "[ . 1 . 2]" 1
577 1 36 ILE HB 1 36 ILE MG 2.094 . 2.642 2.141 2.114 2.156 . 0 0 "[ . 1 . 2]" 1
578 1 36 ILE HB 1 72 VAL H 2.798 . 3.776 2.800 2.456 3.069 . 0 0 "[ . 1 . 2]" 1
579 1 36 ILE HB 1 72 VAL MG1 2.851 . 3.867 3.249 2.898 3.559 . 0 0 "[ . 1 . 2]" 1
580 1 36 ILE MD 1 36 ILE HG12 2.448 . 3.197 2.130 2.107 2.156 . 0 0 "[ . 1 . 2]" 1
581 1 36 ILE MD 1 36 ILE HG13 2.743 . 3.683 2.127 2.109 2.150 . 0 0 "[ . 1 . 2]" 1
582 1 36 ILE MD 1 36 ILE MG 2.292 . 2.949 2.481 1.724 3.011 0.062 17 0 "[ . 1 . 2]" 1
583 1 36 ILE MD 1 72 VAL HB 2.894 . 3.941 2.613 1.890 3.018 . 0 0 "[ . 1 . 2]" 1
584 1 36 ILE MD 1 72 VAL MG1 2.621 . 3.480 2.582 2.194 3.001 . 0 0 "[ . 1 . 2]" 1
585 1 36 ILE MD 1 72 VAL MG2 3.229 . 4.533 3.854 3.144 4.280 . 0 0 "[ . 1 . 2]" 1
586 1 36 ILE MD 1 77 PHE HD1 2.983 . 4.095 4.148 3.905 4.346 0.251 16 0 "[ . 1 . 2]" 1
587 1 36 ILE HG13 1 36 ILE MG 2.622 . 3.481 3.020 2.776 3.188 . 0 0 "[ . 1 . 2]" 1
588 1 36 ILE MG 1 37 SER H 3.156 . 4.401 2.834 2.556 3.049 . 0 0 "[ . 1 . 2]" 1
589 1 36 ILE MG 1 40 GLU HB2 2.333 . 3.013 2.721 2.336 3.154 0.141 6 0 "[ . 1 . 2]" 1
590 1 36 ILE MG 1 41 LEU HA 2.482 . 3.252 3.054 2.880 3.256 0.004 8 0 "[ . 1 . 2]" 1
591 1 36 ILE MG 1 41 LEU HB2 2.240 . 2.867 2.792 2.582 3.063 0.196 17 0 "[ . 1 . 2]" 1
592 1 36 ILE MG 1 72 VAL MG1 2.362 . 3.059 2.950 2.570 3.273 0.214 16 0 "[ . 1 . 2]" 1
593 1 36 ILE MG 1 80 MET ME 2.524 . 3.320 2.807 1.604 3.387 0.124 1 0 "[ . 1 . 2]" 1
594 1 37 SER H 1 40 GLU H 3.158 . 4.405 3.080 2.961 3.209 . 0 0 "[ . 1 . 2]" 1
595 1 37 SER H 1 40 GLU HB2 2.750 . 3.695 1.912 1.673 2.120 0.132 10 0 "[ . 1 . 2]" 1
596 1 37 SER HA 1 37 SER HB2 2.559 . 3.377 2.486 2.333 3.027 . 0 0 "[ . 1 . 2]" 1
597 1 37 SER HA 1 37 SER HB3 2.369 . 3.071 2.589 2.239 3.027 . 0 0 "[ . 1 . 2]" 1
598 1 37 SER HA 1 38 THR H 2.766 . 3.723 2.682 2.583 2.761 . 0 0 "[ . 1 . 2]" 1
599 1 37 SER HA 1 61 ILE MD 2.633 . 3.500 1.979 1.826 2.231 . 0 0 "[ . 1 . 2]" 1
600 1 37 SER HA 1 71 THR HA 2.295 . 2.953 2.748 2.434 3.010 0.057 6 0 "[ . 1 . 2]" 1
601 1 37 SER HA 1 71 THR HB 2.977 . 4.085 3.517 2.948 4.137 0.052 8 0 "[ . 1 . 2]" 1
602 1 37 SER HA 1 71 THR MG 2.568 . 3.393 2.549 2.105 3.019 . 0 0 "[ . 1 . 2]" 1
603 1 37 SER HB2 1 38 THR H 2.721 . 3.647 2.400 2.057 3.543 . 0 0 "[ . 1 . 2]" 1
604 1 37 SER HB2 1 71 THR MG 2.647 . 3.523 2.732 1.930 3.558 0.035 18 0 "[ . 1 . 2]" 1
605 1 37 SER HB3 1 38 THR H 2.700 . 3.611 3.311 1.954 3.664 0.053 2 0 "[ . 1 . 2]" 1
606 1 37 SER HB3 1 61 ILE MD 2.733 . 3.667 3.562 3.299 3.896 0.229 6 0 "[ . 1 . 2]" 1
607 1 37 SER HB3 1 39 LYS H 2.261 . 2.900 2.551 2.109 3.286 0.386 1 0 "[ . 1 . 2]" 1
608 1 37 SER HB3 1 71 THR MG 2.365 . 3.064 2.355 1.857 3.363 0.299 10 0 "[ . 1 . 2]" 1
609 1 37 SER HB3 1 71 THR MG 2.640 . 3.511 2.390 1.860 3.550 0.039 10 0 "[ . 1 . 2]" 1
610 1 38 THR H 1 38 THR HA 2.832 . 3.835 2.814 2.790 2.837 . 0 0 "[ . 1 . 2]" 1
611 1 38 THR H 1 38 THR MG 2.468 . 3.229 2.527 2.401 2.817 . 0 0 "[ . 1 . 2]" 1
612 1 38 THR H 1 39 LYS H 2.758 . 3.709 2.712 2.650 2.786 . 0 0 "[ . 1 . 2]" 1
613 1 38 THR H 1 61 ILE MD 2.780 . 3.746 2.802 2.605 3.107 . 0 0 "[ . 1 . 2]" 1
614 1 38 THR HA 1 38 THR HB 2.277 . 2.925 2.570 2.528 2.659 . 0 0 "[ . 1 . 2]" 1
615 1 38 THR HA 1 38 THR MG 2.161 . 2.745 2.091 1.989 2.177 . 0 0 "[ . 1 . 2]" 1
616 1 38 THR HA 1 38 THR MG 2.017 . 2.526 1.979 1.849 2.066 . 0 0 "[ . 1 . 2]" 1
617 1 38 THR HA 1 39 LYS H 3.603 . 5.226 3.552 3.536 3.565 . 0 0 "[ . 1 . 2]" 1
618 1 38 THR HA 1 39 LYS HA 3.124 . 4.344 4.283 4.264 4.298 . 0 0 "[ . 1 . 2]" 1
619 1 38 THR HA 1 41 LEU H 3.302 . 4.665 3.354 3.298 3.400 . 0 0 "[ . 1 . 2]" 1
620 1 38 THR HA 1 41 LEU HB3 2.575 . 3.404 2.163 1.927 2.408 . 0 0 "[ . 1 . 2]" 1
621 1 38 THR HA 1 41 LEU MD2 2.999 . 4.123 2.957 2.626 4.030 . 0 0 "[ . 1 . 2]" 1
622 1 38 THR HA 1 41 LEU HG 2.585 . 3.420 3.128 1.790 3.727 0.307 20 0 "[ . 1 . 2]" 1
623 1 38 THR HA 1 42 GLY H 3.698 . 5.407 3.629 3.383 3.785 . 0 0 "[ . 1 . 2]" 1
624 1 38 THR HA 1 57 LEU MD1 2.915 . 3.977 2.985 2.572 3.325 . 0 0 "[ . 1 . 2]" 1
625 1 38 THR HA 1 57 LEU MD2 3.306 . 4.672 3.071 2.870 3.533 . 0 0 "[ . 1 . 2]" 1
626 1 38 THR HA 1 57 LEU MD2 2.353 . 3.045 2.427 2.221 2.633 . 0 0 "[ . 1 . 2]" 1
627 1 38 THR HA 1 61 ILE MD 2.411 . 3.137 2.379 2.197 2.723 . 0 0 "[ . 1 . 2]" 1
628 1 38 THR HB 1 38 THR MG 2.086 . 2.630 2.119 2.105 2.135 . 0 0 "[ . 1 . 2]" 1
629 1 38 THR HB 1 39 LYS HA 3.170 . 4.426 4.044 3.885 4.143 . 0 0 "[ . 1 . 2]" 1
630 1 38 THR HB 1 41 LEU HB3 2.898 . 3.948 3.863 3.618 4.060 0.112 16 0 "[ . 1 . 2]" 1
631 1 38 THR HB 1 57 LEU HB2 2.789 . 3.761 2.519 2.087 2.909 . 0 0 "[ . 1 . 2]" 1
632 1 38 THR HB 1 57 LEU MD1 2.531 . 3.332 2.069 1.819 2.404 . 0 0 "[ . 1 . 2]" 1
633 1 38 THR HB 1 57 LEU MD2 2.653 . 3.533 3.712 3.497 3.921 0.388 17 0 "[ . 1 . 2]" 1
634 1 38 THR MG 1 57 LEU MD2 2.631 . 3.496 3.098 2.973 3.285 . 0 0 "[ . 1 . 2]" 1
635 1 38 THR MG 1 41 LEU HB3 2.479 . 3.247 3.397 3.319 3.462 0.215 11 0 "[ . 1 . 2]" 1
636 1 38 THR MG 1 41 LEU MD1 3.490 . 5.013 5.246 5.136 5.354 0.341 8 0 "[ . 1 . 2]" 1
637 1 38 THR MG 1 54 PRO HA 3.661 . 5.337 3.051 2.764 3.387 . 0 0 "[ . 1 . 2]" 1
638 1 38 THR MG 1 54 PRO HB3 2.748 . 3.692 3.809 3.670 3.894 0.202 1 0 "[ . 1 . 2]" 1
639 1 38 THR MG 1 55 GLU HA 2.756 . 3.706 3.443 3.262 3.632 . 0 0 "[ . 1 . 2]" 1
640 1 38 THR MG 1 57 LEU HB2 2.698 . 3.608 1.992 1.780 2.265 0.008 8 0 "[ . 1 . 2]" 1
641 1 38 THR MG 1 57 LEU HB3 2.783 . 3.751 1.978 1.825 2.166 . 0 0 "[ . 1 . 2]" 1
642 1 38 THR MG 1 57 LEU MD1 2.511 . 3.299 3.062 2.887 3.352 0.053 20 0 "[ . 1 . 2]" 1
643 1 38 THR MG 1 58 GLN HA 2.544 . 3.353 2.463 2.197 2.782 . 0 0 "[ . 1 . 2]" 1
644 1 38 THR MG 1 58 GLN QB 2.158 . 2.740 2.533 2.114 3.217 0.477 9 0 "[ . 1 . 2]" 1
645 1 38 THR MG 1 58 GLN HG2 3.148 . 4.387 3.818 1.653 5.047 0.660 4 3 "[ +. 1 - . * 2]" 1
646 1 38 THR MG 1 61 ILE HB 3.092 . 4.287 3.802 3.402 4.078 . 0 0 "[ . 1 . 2]" 1
647 1 38 THR MG 1 61 ILE MD 2.089 . 2.635 2.421 2.085 2.676 0.041 6 0 "[ . 1 . 2]" 1
648 1 39 LYS H 1 39 LYS HA 2.329 . 3.007 2.818 2.810 2.829 . 0 0 "[ . 1 . 2]" 1
649 1 39 LYS H 1 39 LYS QB 2.006 . 2.509 2.239 2.181 2.251 . 0 0 "[ . 1 . 2]" 1
650 1 39 LYS H 1 40 GLU H 2.645 . 3.520 2.733 2.683 2.771 . 0 0 "[ . 1 . 2]" 1
651 1 39 LYS HA 1 39 LYS QB 1.919 . 2.379 2.356 2.312 2.431 0.052 10 0 "[ . 1 . 2]" 1
652 1 39 LYS HA 1 39 LYS HG2 2.518 . 3.310 3.201 2.763 3.682 0.372 19 0 "[ . 1 . 2]" 1
653 1 39 LYS HA 1 39 LYS HG3 2.571 . 3.397 2.487 2.197 2.996 . 0 0 "[ . 1 . 2]" 1
654 1 39 LYS HA 1 61 ILE MD 3.705 . 5.421 4.153 3.743 4.494 . 0 0 "[ . 1 . 2]" 1
655 1 39 LYS QB 1 39 LYS HG2 2.329 . 3.007 2.308 2.164 2.463 . 0 0 "[ . 1 . 2]" 1
656 1 39 LYS QB 1 39 LYS HG2 1.681 . 2.034 2.055 1.926 2.154 0.120 9 0 "[ . 1 . 2]" 1
657 1 39 LYS QB 1 39 LYS HG3 1.946 . 2.420 2.398 2.250 2.538 0.118 10 0 "[ . 1 . 2]" 1
658 1 39 LYS QB 1 39 LYS HG3 2.834 . 3.838 2.203 1.924 2.385 . 0 0 "[ . 1 . 2]" 1
659 1 39 LYS QB 1 39 LYS HG3 2.397 . 3.115 2.085 1.748 2.395 . 0 0 "[ . 1 . 2]" 1
660 1 39 LYS QB 1 40 GLU H 2.259 . 2.897 2.197 2.123 2.333 . 0 0 "[ . 1 . 2]" 1
661 1 39 LYS QB 1 42 GLY HA2 3.535 . 5.097 4.371 4.119 4.662 . 0 0 "[ . 1 . 2]" 1
662 1 39 LYS HG3 1 40 GLU H 2.947 . 4.033 3.776 3.300 4.168 0.135 16 0 "[ . 1 . 2]" 1
663 1 40 GLU H 1 40 GLU HA 2.842 . 3.851 2.855 2.847 2.869 . 0 0 "[ . 1 . 2]" 1
664 1 40 GLU H 1 41 LEU H 2.386 . 3.098 2.520 2.436 2.549 . 0 0 "[ . 1 . 2]" 1
665 1 40 GLU HA 1 40 GLU HB2 2.405 . 3.128 3.009 2.986 3.029 . 0 0 "[ . 1 . 2]" 1
666 1 40 GLU HA 1 40 GLU HB3 2.747 . 3.690 2.551 2.504 2.607 . 0 0 "[ . 1 . 2]" 1
667 1 40 GLU HA 1 40 GLU HG2 2.462 . 3.220 3.346 2.744 3.558 0.338 12 0 "[ . 1 . 2]" 1
668 1 40 GLU HA 1 40 GLU HG3 2.273 . 2.919 2.350 2.104 3.480 0.561 17 1 "[ . 1 . + 2]" 1
669 1 40 GLU HA 1 41 LEU H 2.600 . 3.445 2.705 2.692 2.714 . 0 0 "[ . 1 . 2]" 1
670 1 40 GLU HA 1 43 LYS H 3.112 . 4.323 3.313 3.253 3.384 . 0 0 "[ . 1 . 2]" 1
671 1 40 GLU HA 1 43 LYS QB 2.352 . 3.043 2.679 2.380 3.116 0.073 7 0 "[ . 1 . 2]" 1
672 1 40 GLU HA 1 43 LYS QD 2.701 . 3.613 3.544 2.315 3.755 0.142 2 0 "[ . 1 . 2]" 1
673 1 40 GLU HA 1 43 LYS QE 2.814 . 3.804 3.497 1.995 3.854 0.050 19 0 "[ . 1 . 2]" 1
674 1 40 GLU HB3 1 40 GLU HG2 2.632 . 3.498 2.397 2.286 3.022 . 0 0 "[ . 1 . 2]" 1
675 1 41 LEU H 1 41 LEU HB2 2.470 . 3.232 2.510 2.277 2.580 . 0 0 "[ . 1 . 2]" 1
676 1 41 LEU H 1 41 LEU HB3 2.439 . 3.182 2.548 2.477 2.833 . 0 0 "[ . 1 . 2]" 1
677 1 41 LEU H 1 61 ILE MD 3.103 . 4.307 3.776 3.457 4.081 . 0 0 "[ . 1 . 2]" 1
678 1 41 LEU HA 1 41 LEU HB2 2.421 . 3.154 2.467 2.429 2.606 . 0 0 "[ . 1 . 2]" 1
679 1 41 LEU HA 1 41 LEU HB3 2.761 . 3.714 3.029 3.010 3.037 . 0 0 "[ . 1 . 2]" 1
680 1 41 LEU HA 1 41 LEU MD1 2.253 . 2.887 1.972 1.781 2.062 . 0 0 "[ . 1 . 2]" 1
681 1 41 LEU HA 1 41 LEU MD2 3.051 . 4.215 3.636 2.125 3.821 . 0 0 "[ . 1 . 2]" 1
682 1 41 LEU HA 1 42 GLY H 3.406 . 4.856 3.539 3.522 3.568 . 0 0 "[ . 1 . 2]" 1
683 1 41 LEU HA 1 44 VAL H 3.198 . 4.476 3.604 3.476 3.740 . 0 0 "[ . 1 . 2]" 1
684 1 41 LEU HA 1 44 VAL MG2 2.742 . 3.682 3.402 3.076 3.620 . 0 0 "[ . 1 . 2]" 1
685 1 41 LEU HB2 1 41 LEU MD1 2.302 . 2.965 2.374 2.247 3.152 0.187 4 0 "[ . 1 . 2]" 1
686 1 41 LEU HB2 1 41 LEU MD2 2.086 . 2.630 2.349 2.016 2.419 . 0 0 "[ . 1 . 2]" 1
687 1 41 LEU HB2 1 41 LEU MD2 2.208 . 2.817 2.139 1.909 2.323 . 0 0 "[ . 1 . 2]" 1
688 1 41 LEU HB2 1 42 GLY H 2.675 . 3.569 3.778 3.570 3.821 0.252 16 0 "[ . 1 . 2]" 1
689 1 41 LEU HB3 1 41 LEU MD2 2.325 . 3.001 1.867 1.735 2.070 . 0 0 "[ . 1 . 2]" 1
690 1 41 LEU HB3 1 42 GLY H 2.599 . 3.443 2.466 2.374 2.513 . 0 0 "[ . 1 . 2]" 1
691 1 41 LEU MD1 1 41 LEU HG 2.322 . 2.996 1.934 1.614 2.059 0.034 4 0 "[ . 1 . 2]" 1
692 1 41 LEU MD1 1 44 VAL HB 2.387 . 3.099 3.105 2.849 3.280 0.181 9 0 "[ . 1 . 2]" 1
693 1 41 LEU MD1 1 45 MET QG 2.819 . 3.812 2.441 1.743 2.971 0.083 4 0 "[ . 1 . 2]" 1
694 1 41 LEU MD1 1 57 LEU HA 2.648 . 3.524 2.702 2.010 3.941 0.417 18 0 "[ . 1 . 2]" 1
695 1 41 LEU MD2 1 41 LEU HG 2.248 . 2.880 1.683 1.583 2.085 0.033 8 0 "[ . 1 . 2]" 1
696 1 41 LEU MD2 1 45 MET QG 2.898 . 3.948 3.388 3.128 3.817 . 0 0 "[ . 1 . 2]" 1
697 1 41 LEU MD2 1 57 LEU HA 2.843 . 3.854 2.123 1.671 4.112 0.258 4 0 "[ . 1 . 2]" 1
698 1 41 LEU MD2 1 57 LEU HB2 3.094 . 4.291 3.362 3.124 3.863 . 0 0 "[ . 1 . 2]" 1
699 1 41 LEU MD2 1 60 MET H 3.146 . 4.383 3.616 3.327 4.178 . 0 0 "[ . 1 . 2]" 1
700 1 41 LEU MD2 1 60 MET ME 2.140 . 2.712 1.710 1.599 2.197 . 0 0 "[ . 1 . 2]" 1
701 1 41 LEU MD2 1 61 ILE H 3.005 . 4.134 2.879 2.626 3.252 . 0 0 "[ . 1 . 2]" 1
702 1 41 LEU MD2 1 61 ILE HG13 2.111 . 2.668 1.932 1.746 2.124 . 0 0 "[ . 1 . 2]" 1
703 1 41 LEU MD2 1 61 ILE HG13 3.007 . 4.137 2.359 1.858 3.461 0.019 10 0 "[ . 1 . 2]" 1
704 1 41 LEU MD2 1 108 MET ME 2.994 . 4.115 4.244 3.717 4.457 0.342 11 0 "[ . 1 . 2]" 1
705 1 41 LEU HG 1 42 GLY HA3 2.952 . 4.042 4.198 3.968 4.649 0.607 4 1 "[ +. 1 . 2]" 1
706 1 41 LEU HG 1 57 LEU HB3 2.830 . 3.831 2.900 2.677 2.951 . 0 0 "[ . 1 . 2]" 1
707 1 41 LEU HG 1 57 LEU MD2 1.927 . 2.391 1.711 1.646 1.785 . 0 0 "[ . 1 . 2]" 1
708 1 42 GLY H 1 42 GLY HA2 2.313 . 2.982 2.817 2.804 2.827 . 0 0 "[ . 1 . 2]" 1
709 1 42 GLY H 1 42 GLY HA3 2.492 . 3.268 2.307 2.300 2.316 . 0 0 "[ . 1 . 2]" 1
710 1 42 GLY H 1 43 LYS H 2.773 . 3.735 2.704 2.661 2.768 . 0 0 "[ . 1 . 2]" 1
711 1 42 GLY H 1 43 LYS QB 3.936 . 5.873 4.436 4.309 4.600 . 0 0 "[ . 1 . 2]" 1
712 1 42 GLY H 1 57 LEU MD1 3.039 . 4.193 2.739 1.921 3.119 . 0 0 "[ . 1 . 2]" 1
713 1 42 GLY H 1 57 LEU MD2 3.015 . 4.151 2.607 2.043 3.365 . 0 0 "[ . 1 . 2]" 1
714 1 42 GLY HA2 1 43 LYS H 2.303 . 2.966 2.709 2.698 2.731 . 0 0 "[ . 1 . 2]" 1
715 1 42 GLY HA2 1 45 MET QB 3.563 . 5.150 2.346 2.121 2.706 . 0 0 "[ . 1 . 2]" 1
716 1 42 GLY HA2 1 52 PRO HB3 3.338 . 4.730 4.028 3.408 4.504 . 0 0 "[ . 1 . 2]" 1
717 1 42 GLY HA2 1 57 LEU MD1 2.413 . 3.141 2.888 2.299 3.240 0.099 12 0 "[ . 1 . 2]" 1
718 1 42 GLY HA2 1 57 LEU MD2 2.767 . 3.724 2.109 1.862 2.485 . 0 0 "[ . 1 . 2]" 1
719 1 42 GLY HA3 1 43 LYS H 3.109 . 4.317 2.830 2.789 2.854 . 0 0 "[ . 1 . 2]" 1
720 1 42 GLY HA3 1 45 MET QB 3.190 . 4.462 3.921 3.729 4.272 . 0 0 "[ . 1 . 2]" 1
721 1 42 GLY HA3 1 57 LEU MD1 2.542 . 3.350 2.446 2.006 2.846 . 0 0 "[ . 1 . 2]" 1
722 1 42 GLY HA3 1 57 LEU MD2 2.628 . 3.491 2.884 2.529 3.537 0.046 19 0 "[ . 1 . 2]" 1
723 1 43 LYS H 1 43 LYS QB 2.085 . 2.628 2.223 2.040 2.256 . 0 0 "[ . 1 . 2]" 1
724 1 43 LYS H 1 44 VAL H 2.666 . 3.554 2.783 2.653 2.876 . 0 0 "[ . 1 . 2]" 1
725 1 43 LYS H 1 44 VAL MG2 3.234 . 4.541 4.491 4.379 4.586 0.045 14 0 "[ . 1 . 2]" 1
726 1 43 LYS HA 1 43 LYS QE 2.991 . 4.109 3.968 3.649 4.247 0.138 20 0 "[ . 1 . 2]" 1
727 1 43 LYS HA 1 44 VAL H 2.911 . 3.970 3.564 3.546 3.577 . 0 0 "[ . 1 . 2]" 1
728 1 43 LYS HA 1 46 ARG HD3 2.684 . 3.585 2.666 1.911 3.364 . 0 0 "[ . 1 . 2]" 1
729 1 43 LYS QB 1 43 LYS QE 2.201 . 2.807 2.020 1.684 2.467 . 0 0 "[ . 1 . 2]" 1
730 1 43 LYS QB 1 44 VAL H 2.591 . 3.430 2.485 2.364 3.260 . 0 0 "[ . 1 . 2]" 1
731 1 44 VAL H 1 44 VAL HA 2.733 . 3.666 2.839 2.824 2.861 . 0 0 "[ . 1 . 2]" 1
732 1 44 VAL H 1 44 VAL HB 2.238 . 2.864 2.402 2.375 2.450 . 0 0 "[ . 1 . 2]" 1
733 1 44 VAL H 1 44 VAL MG2 2.378 . 3.085 2.399 2.302 2.487 . 0 0 "[ . 1 . 2]" 1
734 1 44 VAL H 1 45 MET H 2.509 . 3.296 2.642 2.581 2.706 . 0 0 "[ . 1 . 2]" 1
735 1 44 VAL H 1 45 MET QG 3.270 . 4.606 4.340 4.099 4.682 0.076 14 0 "[ . 1 . 2]" 1
736 1 44 VAL HA 1 44 VAL HB 2.603 . 3.450 3.027 3.019 3.036 . 0 0 "[ . 1 . 2]" 1
737 1 44 VAL HA 1 44 VAL MG1 2.368 . 3.069 2.394 2.330 2.462 . 0 0 "[ . 1 . 2]" 1
738 1 44 VAL HA 1 44 VAL MG2 2.379 . 3.087 2.170 2.136 2.228 . 0 0 "[ . 1 . 2]" 1
739 1 44 VAL HA 1 47 MET H 2.979 . 4.088 3.385 3.252 3.512 . 0 0 "[ . 1 . 2]" 1
740 1 44 VAL HA 1 47 MET HB2 2.953 . 4.043 2.786 2.446 3.057 . 0 0 "[ . 1 . 2]" 1
741 1 44 VAL HA 1 47 MET ME 2.533 . 3.335 2.580 1.694 3.462 0.127 5 0 "[ . 1 . 2]" 1
742 1 44 VAL HA 1 47 MET HG2 3.085 . 4.275 4.552 4.148 4.838 0.563 11 3 "[ . 1+ . * -2]" 1
743 1 44 VAL HA 1 47 MET HG3 3.349 . 4.751 3.143 2.578 3.757 . 0 0 "[ . 1 . 2]" 1
744 1 44 VAL HA 1 48 LEU QD 2.986 . 4.101 3.350 3.220 3.592 . 0 0 "[ . 1 . 2]" 1
745 1 44 VAL HA 1 112 LEU MD2 3.124 . 4.344 3.155 2.825 3.727 . 0 0 "[ . 1 . 2]" 1
746 1 44 VAL HB 1 44 VAL MG1 2.086 . 2.630 2.134 2.109 2.155 . 0 0 "[ . 1 . 2]" 1
747 1 44 VAL HB 1 44 VAL MG2 2.168 . 2.756 2.130 2.114 2.146 . 0 0 "[ . 1 . 2]" 1
748 1 44 VAL HB 1 45 MET H 2.512 . 3.301 2.601 2.533 2.663 . 0 0 "[ . 1 . 2]" 1
749 1 44 VAL MG1 1 45 MET HA 2.705 . 3.620 3.339 3.200 3.460 . 0 0 "[ . 1 . 2]" 1
750 1 44 VAL MG1 1 45 MET QG 2.821 . 3.816 3.075 2.853 3.382 . 0 0 "[ . 1 . 2]" 1
751 1 44 VAL MG1 1 47 MET HB3 3.129 . 4.352 4.129 3.879 4.409 0.057 3 0 "[ . 1 . 2]" 1
752 1 44 VAL MG1 1 47 MET ME 2.641 . 3.513 3.056 2.411 3.585 0.072 5 0 "[ . 1 . 2]" 1
753 1 44 VAL MG1 1 48 LEU MD1 2.353 . 3.045 2.254 2.019 2.515 . 0 0 "[ . 1 . 2]" 1
754 1 44 VAL MG1 1 48 LEU QD 2.034 . 2.551 2.009 1.862 2.168 . 0 0 "[ . 1 . 2]" 1
755 1 44 VAL MG1 1 48 LEU HG 3.125 . 4.346 2.794 2.581 3.138 . 0 0 "[ . 1 . 2]" 1
756 1 44 VAL MG1 1 108 MET ME 2.654 . 3.534 3.151 2.482 3.523 . 0 0 "[ . 1 . 2]" 1
757 1 44 VAL MG1 1 108 MET HG3 3.658 . 5.331 2.776 2.159 3.861 . 0 0 "[ . 1 . 2]" 1
758 1 44 VAL MG1 1 111 ALA MB 2.761 . 3.714 3.579 3.134 3.819 0.105 5 0 "[ . 1 . 2]" 1
759 1 44 VAL MG2 1 47 MET ME 2.603 . 3.450 2.970 2.265 3.559 0.109 18 0 "[ . 1 . 2]" 1
760 1 45 MET H 1 45 MET HA 2.870 . 3.900 2.810 2.789 2.827 . 0 0 "[ . 1 . 2]" 1
761 1 45 MET H 1 45 MET QG 2.438 . 3.181 2.555 2.204 3.386 0.205 14 0 "[ . 1 . 2]" 1
762 1 45 MET H 1 46 ARG H 2.603 . 3.450 2.700 2.632 2.773 . 0 0 "[ . 1 . 2]" 1
763 1 45 MET HA 1 45 MET ME 2.267 . 2.909 2.989 2.723 3.257 0.348 17 0 "[ . 1 . 2]" 1
764 1 45 MET HA 1 45 MET QG 2.292 . 2.949 2.476 2.171 3.065 0.116 7 0 "[ . 1 . 2]" 1
765 1 45 MET HA 1 48 LEU QB 3.270 . 4.607 3.360 3.027 3.696 . 0 0 "[ . 1 . 2]" 1
766 1 45 MET HA 1 48 LEU MD1 2.486 . 3.259 2.443 1.991 2.735 . 0 0 "[ . 1 . 2]" 1
767 1 45 MET HA 1 48 LEU MD2 2.493 . 3.270 3.629 3.522 3.703 0.433 9 0 "[ . 1 . 2]" 1
768 1 45 MET HA 1 48 LEU HG 2.109 . 2.665 2.047 1.919 2.188 . 0 0 "[ . 1 . 2]" 1
769 1 45 MET QB 1 45 MET QG 2.311 . 2.979 2.029 1.955 2.052 . 0 0 "[ . 1 . 2]" 1
770 1 45 MET QB 1 51 ASN HA 3.223 . 4.522 3.580 2.941 4.049 . 0 0 "[ . 1 . 2]" 1
771 1 45 MET QB 1 52 PRO HD3 2.572 . 3.399 2.266 2.000 2.505 . 0 0 "[ . 1 . 2]" 1
772 1 45 MET QB 1 52 PRO HD2 2.893 . 3.939 2.158 1.825 2.676 0.022 6 0 "[ . 1 . 2]" 1
773 1 45 MET ME 1 45 MET QG 2.126 . 2.691 1.956 1.876 2.185 . 0 0 "[ . 1 . 2]" 1
774 1 45 MET ME 1 45 MET QG 2.063 . 2.595 1.827 1.680 1.925 . 0 0 "[ . 1 . 2]" 1
775 1 45 MET ME 1 48 LEU MD1 2.269 . 2.912 2.508 1.793 2.718 . 0 0 "[ . 1 . 2]" 1
776 1 45 MET ME 1 52 PRO HD3 3.139 . 4.371 4.566 4.126 4.764 0.393 8 0 "[ . 1 . 2]" 1
777 1 45 MET ME 1 103 ILE MG 2.114 . 2.673 2.321 1.906 2.706 0.033 19 0 "[ . 1 . 2]" 1
778 1 45 MET ME 1 108 MET ME 3.085 . 4.275 3.819 1.758 4.845 0.570 6 1 "[ .+ 1 . 2]" 1
779 1 45 MET QG 1 48 LEU MD1 2.514 . 3.304 3.324 3.016 3.736 0.432 7 0 "[ . 1 . 2]" 1
780 1 45 MET QG 1 52 PRO HD3 2.926 . 3.996 3.836 3.252 4.110 0.114 11 0 "[ . 1 . 2]" 1
781 1 45 MET QG 1 52 PRO HG2 2.579 . 3.411 2.816 2.343 3.289 . 0 0 "[ . 1 . 2]" 1
782 1 45 MET QG 1 52 PRO HG3 2.714 . 3.635 2.301 1.917 2.744 . 0 0 "[ . 1 . 2]" 1
783 1 45 MET QG 1 57 LEU MD2 2.441 . 3.186 2.612 2.409 2.934 . 0 0 "[ . 1 . 2]" 1
784 1 46 ARG H 1 46 ARG HA 2.619 . 3.476 2.822 2.807 2.838 . 0 0 "[ . 1 . 2]" 1
785 1 46 ARG H 1 46 ARG HG3 1.997 . 2.495 2.333 2.125 2.550 0.055 11 0 "[ . 1 . 2]" 1
786 1 46 ARG H 1 47 MET H 2.001 . 2.501 2.610 2.537 2.664 0.163 11 0 "[ . 1 . 2]" 1
787 1 46 ARG H 1 48 LEU H 3.400 . 4.845 3.231 3.064 3.364 . 0 0 "[ . 1 . 2]" 1
788 1 46 ARG HA 1 46 ARG HB2 2.187 . 2.785 3.020 2.999 3.032 0.247 2 0 "[ . 1 . 2]" 1
789 1 46 ARG HA 1 46 ARG HB3 2.150 . 2.728 2.357 2.177 2.448 . 0 0 "[ . 1 . 2]" 1
790 1 46 ARG HA 1 46 ARG HD2 3.461 . 4.959 4.713 4.602 4.815 . 0 0 "[ . 1 . 2]" 1
791 1 46 ARG HA 1 46 ARG HG2 2.394 . 3.110 2.471 2.264 2.708 . 0 0 "[ . 1 . 2]" 1
792 1 46 ARG HA 1 46 ARG HG3 2.992 . 4.111 2.826 2.579 3.026 . 0 0 "[ . 1 . 2]" 1
793 1 46 ARG HA 1 49 GLY H 2.744 . 3.686 3.431 3.234 3.660 . 0 0 "[ . 1 . 2]" 1
794 1 46 ARG HA 1 50 GLN H 2.511 . 3.299 3.192 2.943 3.341 0.042 9 0 "[ . 1 . 2]" 1
795 1 46 ARG HA 1 51 ASN HA 3.119 . 4.335 3.739 3.365 4.044 . 0 0 "[ . 1 . 2]" 1
796 1 46 ARG HB3 1 47 MET H 2.436 . 3.178 3.253 3.151 3.345 0.167 2 0 "[ . 1 . 2]" 1
797 1 46 ARG HD2 1 46 ARG HG2 2.131 . 2.699 2.575 2.434 2.949 0.250 9 0 "[ . 1 . 2]" 1
798 1 46 ARG HD2 1 46 ARG HG3 1.998 . 2.497 2.395 2.236 2.499 0.002 16 0 "[ . 1 . 2]" 1
799 1 46 ARG HD3 1 46 ARG HG2 2.523 . 3.319 2.989 2.700 3.036 . 0 0 "[ . 1 . 2]" 1
800 1 46 ARG HG2 1 51 ASN HA 2.598 . 3.442 3.100 2.745 3.467 0.025 15 0 "[ . 1 . 2]" 1
801 1 46 ARG HG3 1 51 ASN HA 2.661 . 3.546 3.338 2.649 3.755 0.209 4 0 "[ . 1 . 2]" 1
802 1 47 MET H 1 47 MET HA 2.472 . 3.236 2.483 2.022 2.785 . 0 0 "[ . 1 . 2]" 1
803 1 47 MET H 1 47 MET HB2 2.447 . 3.195 2.393 2.182 2.487 . 0 0 "[ . 1 . 2]" 1
804 1 47 MET H 1 48 LEU H 2.631 . 3.496 2.635 2.573 2.670 . 0 0 "[ . 1 . 2]" 1
805 1 47 MET H 1 48 LEU H 2.225 . 2.844 2.292 2.193 2.352 . 0 0 "[ . 1 . 2]" 1
806 1 47 MET HA 1 47 MET HB2 2.500 . 3.281 3.017 2.969 3.026 . 0 0 "[ . 1 . 2]" 1
807 1 47 MET HA 1 47 MET HB3 2.486 . 3.259 2.535 2.493 2.690 . 0 0 "[ . 1 . 2]" 1
808 1 47 MET HA 1 47 MET HG2 2.500 . 3.281 2.364 1.989 2.719 . 0 0 "[ . 1 . 2]" 1
809 1 47 MET HA 1 47 MET HG3 2.691 . 3.596 2.999 2.550 3.327 . 0 0 "[ . 1 . 2]" 1
810 1 47 MET HA 1 48 LEU H 2.911 . 3.970 3.519 3.495 3.533 . 0 0 "[ . 1 . 2]" 1
811 1 47 MET HB2 1 47 MET ME 2.599 . 3.443 2.227 1.839 2.832 . 0 0 "[ . 1 . 2]" 1
812 1 47 MET HB2 1 47 MET HG2 2.454 . 3.207 3.002 2.930 3.029 . 0 0 "[ . 1 . 2]" 1
813 1 47 MET HB2 1 48 LEU MD2 2.952 . 4.041 1.973 1.798 2.572 0.065 5 0 "[ . 1 . 2]" 1
814 1 47 MET HB3 1 47 MET HG2 2.378 . 3.085 2.529 2.313 2.776 . 0 0 "[ . 1 . 2]" 1
815 1 47 MET ME 1 47 MET HG2 2.490 . 3.265 3.007 2.266 3.352 0.087 11 0 "[ . 1 . 2]" 1
816 1 47 MET ME 1 111 ALA MB 2.368 . 3.069 2.946 2.246 3.146 0.077 18 0 "[ . 1 . 2]" 1
817 1 47 MET ME 1 112 LEU HA 2.757 . 3.707 2.773 2.323 3.350 . 0 0 "[ . 1 . 2]" 1
818 1 47 MET ME 1 112 LEU MD2 2.302 . 2.965 1.999 1.690 2.841 . 0 0 "[ . 1 . 2]" 1
819 1 48 LEU H 1 48 LEU HA 2.605 . 3.453 2.887 2.861 2.918 . 0 0 "[ . 1 . 2]" 1
820 1 48 LEU H 1 48 LEU MD2 2.855 . 3.874 2.017 1.880 2.279 . 0 0 "[ . 1 . 2]" 1
821 1 48 LEU H 1 48 LEU HG 2.086 . 2.630 1.796 1.634 1.992 . 0 0 "[ . 1 . 2]" 1
822 1 48 LEU H 1 49 GLY H 2.520 . 3.314 2.522 2.363 2.641 . 0 0 "[ . 1 . 2]" 1
823 1 48 LEU HA 1 48 LEU QB 2.089 . 2.635 2.206 2.181 2.248 . 0 0 "[ . 1 . 2]" 1
824 1 48 LEU HA 1 48 LEU MD1 2.761 . 3.714 3.830 3.723 3.923 0.209 13 0 "[ . 1 . 2]" 1
825 1 48 LEU HA 1 48 LEU MD2 1.991 . 2.486 2.131 1.940 2.476 . 0 0 "[ . 1 . 2]" 1
826 1 48 LEU HA 1 48 LEU HG 2.548 . 3.360 3.152 2.815 3.379 0.019 3 0 "[ . 1 . 2]" 1
827 1 48 LEU HA 1 49 GLY H 2.714 . 3.635 3.309 3.199 3.413 . 0 0 "[ . 1 . 2]" 1
828 1 48 LEU QB 1 48 LEU QD 1.977 . 2.466 1.950 1.907 1.982 . 0 0 "[ . 1 . 2]" 1
829 1 48 LEU QB 1 48 LEU MD1 1.793 . 2.195 1.870 1.842 1.896 . 0 0 "[ . 1 . 2]" 1
830 1 48 LEU QB 1 48 LEU MD2 1.732 . 2.107 1.970 1.938 2.011 . 0 0 "[ . 1 . 2]" 1
831 1 48 LEU QB 1 49 GLY H 2.686 . 3.587 3.211 3.019 3.386 . 0 0 "[ . 1 . 2]" 1
832 1 48 LEU QB 1 50 GLN H 2.562 . 3.383 2.865 2.765 2.969 . 0 0 "[ . 1 . 2]" 1
833 1 48 LEU QB 1 50 GLN QG 2.967 . 4.068 2.309 2.073 2.724 . 0 0 "[ . 1 . 2]" 1
834 1 48 LEU QB 1 111 ALA H 2.878 . 3.914 4.033 3.736 4.105 0.191 6 0 "[ . 1 . 2]" 1
835 1 48 LEU QD 1 48 LEU HG 1.989 . 2.483 1.885 1.874 1.909 . 0 0 "[ . 1 . 2]" 1
836 1 48 LEU QD 1 108 MET HA 2.305 . 2.969 2.181 1.798 2.868 . 0 0 "[ . 1 . 2]" 1
837 1 48 LEU QD 1 108 MET HG3 3.473 . 4.981 2.397 1.711 3.955 0.254 7 0 "[ . 1 . 2]" 1
838 1 48 LEU QD 1 111 ALA H 2.980 . 4.090 3.849 3.575 4.115 0.025 8 0 "[ . 1 . 2]" 1
839 1 48 LEU MD1 1 50 GLN QG 2.668 . 3.558 2.358 1.841 3.566 0.008 6 0 "[ . 1 . 2]" 1
840 1 48 LEU MD1 1 108 MET ME 2.178 . 2.771 2.128 1.601 2.315 . 0 0 "[ . 1 . 2]" 1
841 1 48 LEU MD1 1 108 MET HA 2.366 . 3.066 2.325 1.841 3.188 0.122 13 0 "[ . 1 . 2]" 1
842 1 48 LEU MD1 1 108 MET ME 2.581 . 3.414 3.270 1.655 3.740 0.326 14 0 "[ . 1 . 2]" 1
843 1 48 LEU MD1 1 111 ALA MB 2.390 . 3.104 3.234 2.988 3.429 0.325 14 0 "[ . 1 . 2]" 1
844 1 48 LEU MD2 1 49 GLY H 3.568 . 5.159 3.944 3.903 4.043 . 0 0 "[ . 1 . 2]" 1
845 1 48 LEU MD2 1 108 MET HA 2.658 . 3.541 2.744 2.176 3.454 . 0 0 "[ . 1 . 2]" 1
846 1 48 LEU MD2 1 109 MET HA 3.535 . 5.097 3.302 2.447 4.057 . 0 0 "[ . 1 . 2]" 1
847 1 48 LEU MD2 1 111 ALA MB 2.034 . 2.551 1.830 1.672 2.100 . 0 0 "[ . 1 . 2]" 1
848 1 48 LEU MD2 1 111 ALA MB 1.882 . 2.325 1.715 1.602 1.907 . 0 0 "[ . 1 . 2]" 1
849 1 49 GLY H 1 49 GLY HA2 2.290 . 2.945 2.373 2.337 2.422 . 0 0 "[ . 1 . 2]" 1
850 1 49 GLY H 1 49 GLY HA3 2.204 . 2.811 2.933 2.909 2.955 0.144 11 0 "[ . 1 . 2]" 1
851 1 49 GLY H 1 50 GLN H 2.508 . 3.294 2.268 2.050 2.472 . 0 0 "[ . 1 . 2]" 1
852 1 49 GLY H 1 50 GLN QG 3.039 . 4.193 4.005 3.826 4.183 . 0 0 "[ . 1 . 2]" 1
853 1 49 GLY HA3 1 50 GLN H 2.929 . 4.001 3.339 3.254 3.395 . 0 0 "[ . 1 . 2]" 1
854 1 50 GLN H 1 50 GLN HA 2.591 . 3.430 2.933 2.881 2.961 . 0 0 "[ . 1 . 2]" 1
855 1 50 GLN HA 1 50 GLN HB2 2.535 . 3.338 3.023 3.014 3.031 . 0 0 "[ . 1 . 2]" 1
856 1 50 GLN HA 1 50 GLN HB3 2.503 . 3.286 2.422 2.358 2.465 . 0 0 "[ . 1 . 2]" 1
857 1 50 GLN HA 1 50 GLN QG 2.185 . 2.782 2.841 2.391 3.008 0.226 17 0 "[ . 1 . 2]" 1
858 1 50 GLN HA 1 51 ASN H 3.019 . 4.158 2.286 2.204 2.434 . 0 0 "[ . 1 . 2]" 1
859 1 50 GLN HB2 1 50 GLN QG 2.024 . 2.536 2.215 2.178 2.375 . 0 0 "[ . 1 . 2]" 1
860 1 50 GLN HB3 1 52 PRO HD2 2.326 . 3.003 3.387 3.077 3.715 0.712 6 5 "[ .+ * * . -* 2]" 1
861 1 50 GLN HB3 1 52 PRO HD3 2.568 . 3.393 2.169 1.831 2.784 . 0 0 "[ . 1 . 2]" 1
862 1 50 GLN HB3 1 52 PRO HD3 2.702 . 3.614 2.183 1.834 2.851 . 0 0 "[ . 1 . 2]" 1
863 1 51 ASN HA 1 51 ASN HB2 2.285 . 2.938 2.744 2.479 3.031 0.093 4 0 "[ . 1 . 2]" 1
864 1 51 ASN HA 1 51 ASN HB3 2.354 . 3.047 2.589 2.404 3.020 . 0 0 "[ . 1 . 2]" 1
865 1 51 ASN HA 1 52 PRO HD2 2.300 . 2.961 2.270 2.078 2.429 . 0 0 "[ . 1 . 2]" 1
866 1 52 PRO HA 1 52 PRO HB2 2.356 . 3.050 2.744 2.723 2.759 . 0 0 "[ . 1 . 2]" 1
867 1 52 PRO HA 1 52 PRO HB3 2.543 . 3.352 2.295 2.290 2.302 . 0 0 "[ . 1 . 2]" 1
868 1 52 PRO HA 1 52 PRO HG3 3.054 . 4.220 3.999 3.991 4.012 . 0 0 "[ . 1 . 2]" 1
869 1 52 PRO HA 1 53 THR H 2.070 . 2.606 2.252 2.210 2.289 . 0 0 "[ . 1 . 2]" 1
870 1 52 PRO HA 1 56 GLU HB3 3.257 . 4.583 3.607 3.306 3.813 . 0 0 "[ . 1 . 2]" 1
871 1 52 PRO HB2 1 53 THR H 2.735 . 3.670 3.125 3.024 3.281 . 0 0 "[ . 1 . 2]" 1
872 1 52 PRO HD2 1 52 PRO HG2 2.432 . 3.171 2.316 2.300 2.331 . 0 0 "[ . 1 . 2]" 1
873 1 52 PRO HD2 1 52 PRO HG3 2.416 . 3.146 2.712 2.692 2.735 . 0 0 "[ . 1 . 2]" 1
874 1 52 PRO HD3 1 52 PRO HG2 2.322 . 2.996 2.983 2.974 2.993 . 0 0 "[ . 1 . 2]" 1
875 1 52 PRO HD3 1 52 PRO HG3 2.204 . 2.811 2.301 2.287 2.314 . 0 0 "[ . 1 . 2]" 1
876 1 52 PRO HG2 1 57 LEU MD2 2.423 . 3.157 1.903 1.712 2.214 . 0 0 "[ . 1 . 2]" 1
877 1 53 THR H 1 53 THR MG 2.420 . 3.152 2.439 2.080 3.082 . 0 0 "[ . 1 . 2]" 1
878 1 53 THR H 1 54 PRO QD 3.561 . 5.146 4.359 4.342 4.373 . 0 0 "[ . 1 . 2]" 1
879 1 53 THR H 1 56 GLU H 3.308 . 4.676 3.728 3.544 3.908 . 0 0 "[ . 1 . 2]" 1
880 1 53 THR H 1 56 GLU HB2 2.445 . 3.192 3.207 2.585 3.324 0.132 20 0 "[ . 1 . 2]" 1
881 1 53 THR H 1 56 GLU HB3 2.460 . 3.217 2.628 2.257 3.052 . 0 0 "[ . 1 . 2]" 1
882 1 53 THR HA 1 53 THR HB 2.620 . 3.478 2.494 2.430 2.714 . 0 0 "[ . 1 . 2]" 1
883 1 53 THR HA 1 53 THR MG 2.105 . 2.659 2.313 2.120 2.426 . 0 0 "[ . 1 . 2]" 1
884 1 53 THR HA 1 54 PRO QD 2.124 . 2.688 2.055 1.991 2.137 . 0 0 "[ . 1 . 2]" 1
885 1 53 THR HB 1 53 THR MG 2.491 . 3.267 2.124 2.095 2.147 . 0 0 "[ . 1 . 2]" 1
886 1 53 THR HB 1 54 PRO QD 2.308 . 2.974 1.791 1.692 1.887 . 0 0 "[ . 1 . 2]" 1
887 1 53 THR HB 1 54 PRO HG3 3.409 . 4.862 4.620 4.494 4.729 . 0 0 "[ . 1 . 2]" 1
888 1 53 THR MG 1 54 PRO QD 2.230 . 2.852 2.913 2.179 3.078 0.226 1 0 "[ . 1 . 2]" 1
889 1 53 THR MG 1 55 GLU H 3.533 . 5.093 4.518 4.248 4.614 . 0 0 "[ . 1 . 2]" 1
890 1 54 PRO HA 1 54 PRO HB3 2.260 . 2.898 2.296 2.287 2.305 . 0 0 "[ . 1 . 2]" 1
891 1 54 PRO HA 1 54 PRO QD 2.795 . 3.771 3.337 3.299 3.371 . 0 0 "[ . 1 . 2]" 1
892 1 54 PRO HA 1 54 PRO HG2 2.622 . 3.481 3.877 3.862 3.896 0.415 12 0 "[ . 1 . 2]" 1
893 1 54 PRO HA 1 57 LEU HB2 3.001 . 4.127 2.413 2.263 2.564 . 0 0 "[ . 1 . 2]" 1
894 1 54 PRO HA 1 57 LEU HB3 2.883 . 3.922 3.904 3.744 4.036 0.114 19 0 "[ . 1 . 2]" 1
895 1 54 PRO HA 1 57 LEU MD1 2.214 . 2.827 2.082 1.870 2.448 . 0 0 "[ . 1 . 2]" 1
896 1 54 PRO HA 1 57 LEU MD2 3.079 . 4.264 4.388 4.323 4.514 0.250 3 0 "[ . 1 . 2]" 1
897 1 54 PRO HA 1 57 LEU HG 2.790 . 3.763 3.389 2.951 3.568 . 0 0 "[ . 1 . 2]" 1
898 1 54 PRO HB2 1 54 PRO QD 3.017 . 4.154 2.907 2.843 2.978 . 0 0 "[ . 1 . 2]" 1
899 1 54 PRO HB2 1 54 PRO HG2 2.257 . 2.894 2.311 2.283 2.330 . 0 0 "[ . 1 . 2]" 1
900 1 54 PRO HB2 1 55 GLU H 2.611 . 3.463 2.472 2.340 2.548 . 0 0 "[ . 1 . 2]" 1
901 1 54 PRO HB2 1 55 GLU HA 2.497 . 3.276 3.664 3.188 3.854 0.578 4 5 "[ +.- * 1 * . * 2]" 1
902 1 54 PRO HB3 1 54 PRO QD 2.795 . 3.771 3.553 3.546 3.560 . 0 0 "[ . 1 . 2]" 1
903 1 54 PRO QD 1 54 PRO HG2 2.202 . 2.808 2.200 2.185 2.213 . 0 0 "[ . 1 . 2]" 1
904 1 54 PRO QD 1 54 PRO HG3 2.377 . 3.083 2.243 2.232 2.259 . 0 0 "[ . 1 . 2]" 1
905 1 54 PRO HG2 1 55 GLU H 2.663 . 3.550 3.329 2.279 3.760 0.210 19 0 "[ . 1 . 2]" 1
906 1 55 GLU H 1 55 GLU HB2 2.224 . 2.842 2.462 2.145 2.582 . 0 0 "[ . 1 . 2]" 1
907 1 55 GLU H 1 56 GLU H 2.437 . 3.179 2.702 2.664 2.730 . 0 0 "[ . 1 . 2]" 1
908 1 55 GLU HA 1 58 GLN H 2.554 . 3.370 3.202 3.148 3.259 . 0 0 "[ . 1 . 2]" 1
909 1 55 GLU HA 1 58 GLN QB 2.600 . 3.445 3.238 2.899 3.824 0.379 16 0 "[ . 1 . 2]" 1
910 1 55 GLU HB3 1 56 GLU H 2.365 . 3.064 2.775 2.442 3.410 0.346 16 0 "[ . 1 . 2]" 1
911 1 56 GLU H 1 56 GLU HA 2.435 . 3.176 2.842 2.829 2.859 . 0 0 "[ . 1 . 2]" 1
912 1 56 GLU H 1 56 GLU HB2 2.344 . 3.031 2.502 2.086 2.613 . 0 0 "[ . 1 . 2]" 1
913 1 56 GLU H 1 56 GLU HB3 2.185 . 2.782 2.616 2.499 3.167 0.385 8 0 "[ . 1 . 2]" 1
914 1 56 GLU H 1 57 LEU H 2.500 . 3.281 2.563 2.480 2.625 . 0 0 "[ . 1 . 2]" 1
915 1 56 GLU HA 1 56 GLU HB3 2.348 . 3.037 3.018 2.875 3.034 . 0 0 "[ . 1 . 2]" 1
916 1 56 GLU HA 1 56 GLU HB3 1.883 . 2.326 2.790 2.689 2.902 0.576 3 9 "[ *+*. *-****. 2]" 1
917 1 56 GLU HA 1 56 GLU HG2 2.443 . 3.189 3.345 3.006 3.719 0.530 13 4 "[ -*. *1 + . 2]" 1
918 1 56 GLU HB2 1 56 GLU HG2 2.469 . 3.231 2.795 2.466 3.038 . 0 0 "[ . 1 . 2]" 1
919 1 56 GLU HB2 1 56 GLU HG3 2.040 . 2.560 2.756 2.450 3.037 0.477 2 0 "[ . 1 . 2]" 1
920 1 57 LEU H 1 57 LEU HA 2.230 . 2.852 2.516 2.509 2.525 . 0 0 "[ . 1 . 2]" 1
921 1 57 LEU H 1 57 LEU HB2 1.831 . 2.250 1.965 1.883 2.010 . 0 0 "[ . 1 . 2]" 1
922 1 57 LEU H 1 57 LEU MD2 2.713 . 3.633 3.514 3.151 3.656 0.023 7 0 "[ . 1 . 2]" 1
923 1 57 LEU H 1 57 LEU HG 2.052 . 2.579 2.211 2.079 2.315 . 0 0 "[ . 1 . 2]" 1
924 1 57 LEU HA 1 57 LEU HB2 2.966 . 4.065 3.029 3.017 3.043 . 0 0 "[ . 1 . 2]" 1
925 1 57 LEU HA 1 57 LEU HB3 2.226 . 2.846 2.518 2.479 2.545 . 0 0 "[ . 1 . 2]" 1
926 1 57 LEU HA 1 57 LEU MD2 2.106 . 2.660 2.042 1.851 2.253 . 0 0 "[ . 1 . 2]" 1
927 1 57 LEU HA 1 60 MET ME 2.067 . 2.601 2.410 1.936 3.016 0.415 9 0 "[ . 1 . 2]" 1
928 1 57 LEU HB2 1 57 LEU MD1 2.476 . 3.242 2.237 2.132 2.346 . 0 0 "[ . 1 . 2]" 1
929 1 57 LEU HB2 1 57 LEU MD2 2.590 . 3.428 3.097 3.074 3.116 . 0 0 "[ . 1 . 2]" 1
930 1 57 LEU HB3 1 57 LEU MD1 2.530 . 3.330 2.447 2.352 2.526 . 0 0 "[ . 1 . 2]" 1
931 1 57 LEU HB3 1 57 LEU MD2 2.630 . 3.494 2.164 2.063 2.270 . 0 0 "[ . 1 . 2]" 1
932 1 57 LEU HB3 1 58 GLN H 2.771 . 3.731 3.529 3.447 3.644 . 0 0 "[ . 1 . 2]" 1
933 1 57 LEU HB3 1 61 ILE HA 3.929 . 5.858 6.038 5.885 6.137 0.279 9 0 "[ . 1 . 2]" 1
934 1 57 LEU MD1 1 58 GLN H 3.618 . 5.254 4.420 4.318 4.520 . 0 0 "[ . 1 . 2]" 1
935 1 57 LEU MD2 1 58 GLN H 3.584 . 5.190 4.064 3.951 4.195 . 0 0 "[ . 1 . 2]" 1
936 1 58 GLN H 1 58 GLN HA 2.696 . 3.605 2.839 2.818 2.851 . 0 0 "[ . 1 . 2]" 1
937 1 58 GLN H 1 58 GLN QB 2.061 . 2.592 2.250 2.158 2.484 . 0 0 "[ . 1 . 2]" 1
938 1 58 GLN HA 1 58 GLN QB 2.089 . 2.634 2.292 2.167 2.468 . 0 0 "[ . 1 . 2]" 1
939 1 58 GLN HA 1 58 GLN HG2 2.706 . 3.621 3.185 2.161 3.742 0.121 13 0 "[ . 1 . 2]" 1
940 1 58 GLN HA 1 58 GLN HG3 2.623 . 3.483 3.135 2.241 3.659 0.176 16 0 "[ . 1 . 2]" 1
941 1 58 GLN HA 1 59 GLU H 3.011 . 4.144 3.539 3.517 3.563 . 0 0 "[ . 1 . 2]" 1
942 1 58 GLN HA 1 61 ILE HB 2.342 . 3.028 2.536 2.282 2.738 . 0 0 "[ . 1 . 2]" 1
943 1 58 GLN HA 1 61 ILE MD 2.528 . 3.327 2.858 2.577 3.256 . 0 0 "[ . 1 . 2]" 1
944 1 58 GLN HA 1 61 ILE MG 2.984 . 4.097 3.682 3.237 4.005 . 0 0 "[ . 1 . 2]" 1
945 1 58 GLN QB 1 61 ILE MG 3.201 . 4.482 4.722 4.538 4.901 0.419 8 0 "[ . 1 . 2]" 1
946 1 59 GLU HA 1 62 ASP H 3.071 . 4.250 3.327 3.238 3.425 . 0 0 "[ . 1 . 2]" 1
947 1 59 GLU HA 1 62 ASP HB2 2.007 . 2.510 2.692 2.621 2.774 0.264 11 0 "[ . 1 . 2]" 1
948 1 59 GLU HA 1 62 ASP HB3 2.275 . 2.922 2.895 2.767 2.995 0.073 4 0 "[ . 1 . 2]" 1
949 1 60 MET H 1 60 MET HA 2.378 . 3.085 2.825 2.810 2.840 . 0 0 "[ . 1 . 2]" 1
950 1 60 MET H 1 60 MET HG2 2.375 . 3.080 3.001 1.943 3.501 0.421 9 0 "[ . 1 . 2]" 1
951 1 60 MET H 1 61 ILE H 2.649 . 3.526 2.662 2.579 2.721 . 0 0 "[ . 1 . 2]" 1
952 1 60 MET HA 1 60 MET HG2 2.275 . 2.922 2.320 2.159 2.789 . 0 0 "[ . 1 . 2]" 1
953 1 60 MET HA 1 61 ILE H 3.154 . 4.398 3.540 3.523 3.558 . 0 0 "[ . 1 . 2]" 1
954 1 60 MET HA 1 63 GLU H 2.295 . 2.953 2.699 2.668 2.721 . 0 0 "[ . 1 . 2]" 1
955 1 60 MET ME 1 60 MET HG2 2.523 . 3.319 3.286 2.616 3.353 0.034 4 0 "[ . 1 . 2]" 1
956 1 61 ILE H 1 61 ILE HB 2.378 . 3.085 2.256 2.061 2.395 . 0 0 "[ . 1 . 2]" 1
957 1 61 ILE H 1 61 ILE HG12 3.101 . 4.303 3.989 3.644 4.460 0.157 6 0 "[ . 1 . 2]" 1
958 1 61 ILE H 1 61 ILE HG13 2.877 . 3.911 2.778 2.308 3.562 . 0 0 "[ . 1 . 2]" 1
959 1 61 ILE H 1 62 ASP H 2.581 . 3.414 2.567 2.490 2.637 . 0 0 "[ . 1 . 2]" 1
960 1 61 ILE HA 1 61 ILE HB 2.706 . 3.621 2.984 2.912 3.019 . 0 0 "[ . 1 . 2]" 1
961 1 61 ILE HA 1 61 ILE MD 2.559 . 3.378 3.564 3.411 3.669 0.291 8 0 "[ . 1 . 2]" 1
962 1 61 ILE HA 1 61 ILE HG12 2.689 . 3.593 2.636 2.368 3.028 . 0 0 "[ . 1 . 2]" 1
963 1 61 ILE HA 1 61 ILE HG13 2.841 . 3.850 2.459 1.952 2.778 . 0 0 "[ . 1 . 2]" 1
964 1 61 ILE HA 1 61 ILE MG 2.278 . 2.926 2.556 2.391 2.817 . 0 0 "[ . 1 . 2]" 1
965 1 61 ILE HA 1 61 ILE MG 2.445 . 3.193 2.511 2.369 2.767 . 0 0 "[ . 1 . 2]" 1
966 1 61 ILE HA 1 62 ASP H 3.313 . 4.685 3.510 3.491 3.534 . 0 0 "[ . 1 . 2]" 1
967 1 61 ILE HA 1 63 GLU HG3 3.417 . 4.877 4.392 3.577 4.912 0.035 14 0 "[ . 1 . 2]" 1
968 1 61 ILE HA 1 72 VAL MG2 2.971 . 4.075 2.404 1.948 2.825 . 0 0 "[ . 1 . 2]" 1
969 1 61 ILE HA 1 80 MET ME 3.834 . 5.672 5.379 4.173 5.784 0.112 10 0 "[ . 1 . 2]" 1
970 1 61 ILE HB 1 61 ILE MD 2.363 . 3.061 2.154 1.897 2.324 . 0 0 "[ . 1 . 2]" 1
971 1 61 ILE HB 1 61 ILE HG13 2.524 . 3.320 2.625 2.500 2.831 . 0 0 "[ . 1 . 2]" 1
972 1 61 ILE HB 1 61 ILE MG 2.011 . 2.517 2.116 2.094 2.148 . 0 0 "[ . 1 . 2]" 1
973 1 61 ILE HB 1 62 ASP H 2.395 . 3.112 2.873 2.683 3.186 0.074 6 0 "[ . 1 . 2]" 1
974 1 61 ILE MD 1 61 ILE HG12 2.208 . 2.817 1.917 1.831 1.995 . 0 0 "[ . 1 . 2]" 1
975 1 61 ILE MD 1 61 ILE HG13 2.301 . 2.963 2.119 2.103 2.148 . 0 0 "[ . 1 . 2]" 1
976 1 61 ILE MD 1 62 ASP H 2.781 . 3.748 3.123 2.779 3.317 . 0 0 "[ . 1 . 2]" 1
977 1 61 ILE MD 1 71 THR HA 2.832 . 3.834 2.706 2.045 3.287 . 0 0 "[ . 1 . 2]" 1
978 1 61 ILE MD 1 72 VAL H 3.111 . 4.321 3.515 3.142 4.109 . 0 0 "[ . 1 . 2]" 1
979 1 61 ILE HG13 1 61 ILE MG 2.588 . 3.425 3.133 2.992 3.196 . 0 0 "[ . 1 . 2]" 1
980 1 61 ILE MG 1 62 ASP HA 2.702 . 3.615 3.251 2.960 3.470 . 0 0 "[ . 1 . 2]" 1
981 1 61 ILE MG 1 62 ASP HB2 2.711 . 3.629 2.932 2.461 3.388 . 0 0 "[ . 1 . 2]" 1
982 1 61 ILE MG 1 72 VAL MG2 1.918 . 2.378 2.115 1.769 2.412 0.034 17 0 "[ . 1 . 2]" 1
983 1 61 ILE MG 1 65 ASP H 3.281 . 4.627 3.515 3.250 3.913 . 0 0 "[ . 1 . 2]" 1
984 1 61 ILE MG 1 65 ASP HA 3.550 . 5.125 4.023 3.733 4.342 . 0 0 "[ . 1 . 2]" 1
985 1 61 ILE MG 1 72 VAL MG1 2.813 . 3.802 3.090 2.271 3.775 . 0 0 "[ . 1 . 2]" 1
986 1 61 ILE MG 1 65 ASP HB2 2.538 . 3.343 2.294 1.823 2.756 . 0 0 "[ . 1 . 2]" 1
987 1 61 ILE MG 1 65 ASP HB3 2.687 . 3.589 3.007 2.487 3.481 . 0 0 "[ . 1 . 2]" 1
988 1 61 ILE MG 1 70 GLY H 3.316 . 4.690 3.532 3.066 3.963 . 0 0 "[ . 1 . 2]" 1
989 1 61 ILE MG 1 70 GLY HA2 2.990 . 4.107 2.668 2.122 3.166 . 0 0 "[ . 1 . 2]" 1
990 1 61 ILE MG 1 70 GLY HA3 2.754 . 3.702 3.718 3.368 4.047 0.345 14 0 "[ . 1 . 2]" 1
991 1 61 ILE MG 1 71 THR H 3.208 . 4.495 3.058 2.666 3.400 . 0 0 "[ . 1 . 2]" 1
992 1 61 ILE MG 1 71 THR HA 2.624 . 3.485 1.983 1.747 2.629 0.016 15 0 "[ . 1 . 2]" 1
993 1 61 ILE MG 1 72 VAL HA 2.915 . 3.977 3.738 3.356 4.027 0.050 5 0 "[ . 1 . 2]" 1
994 1 61 ILE MG 1 72 VAL MG2 2.090 . 2.636 2.146 1.776 2.464 . 0 0 "[ . 1 . 2]" 1
995 1 62 ASP H 1 62 ASP HA 2.706 . 3.621 2.816 2.770 2.874 . 0 0 "[ . 1 . 2]" 1
996 1 62 ASP H 1 62 ASP HB2 2.487 . 3.260 2.271 2.181 2.355 . 0 0 "[ . 1 . 2]" 1
997 1 62 ASP H 1 63 GLU H 2.872 . 3.903 2.617 2.439 2.751 . 0 0 "[ . 1 . 2]" 1
998 1 62 ASP HA 1 62 ASP HB2 2.136 . 2.706 2.625 2.535 2.715 0.009 4 0 "[ . 1 . 2]" 1
999 1 62 ASP HA 1 62 ASP HB3 1.828 . 2.246 2.282 2.121 2.329 0.083 2 0 "[ . 1 . 2]" 1
1000 1 62 ASP HA 1 63 GLU H 3.224 . 4.523 3.489 3.437 3.531 . 0 0 "[ . 1 . 2]" 1
1001 1 62 ASP HA 1 65 ASP H 3.171 . 4.428 3.067 2.941 3.221 . 0 0 "[ . 1 . 2]" 1
1002 1 62 ASP HA 1 65 ASP HB2 2.772 . 3.733 3.245 1.848 3.741 0.008 8 0 "[ . 1 . 2]" 1
1003 1 62 ASP HA 1 65 ASP HB3 1.908 . 2.363 1.967 1.767 2.572 0.209 1 0 "[ . 1 . 2]" 1
1004 1 62 ASP HB2 1 63 GLU H 2.763 . 3.717 3.789 3.723 3.860 0.143 14 0 "[ . 1 . 2]" 1
1005 1 62 ASP HB3 1 63 GLU HG3 2.947 . 4.033 3.716 3.433 3.953 . 0 0 "[ . 1 . 2]" 1
1006 1 63 GLU H 1 63 GLU HB2 2.140 . 2.712 2.407 2.380 2.428 . 0 0 "[ . 1 . 2]" 1
1007 1 63 GLU H 1 63 GLU HG2 2.739 . 3.677 3.504 3.297 3.642 . 0 0 "[ . 1 . 2]" 1
1008 1 63 GLU H 1 64 VAL H 2.538 . 3.343 2.739 2.696 2.767 . 0 0 "[ . 1 . 2]" 1
1009 1 63 GLU H 1 64 VAL MG2 3.164 . 4.415 3.728 3.607 3.960 . 0 0 "[ . 1 . 2]" 1
1010 1 63 GLU HA 1 63 GLU HB2 2.382 . 3.091 3.022 3.018 3.028 . 0 0 "[ . 1 . 2]" 1
1011 1 63 GLU HA 1 63 GLU HG2 2.025 . 2.538 2.420 2.297 2.490 . 0 0 "[ . 1 . 2]" 1
1012 1 63 GLU HA 1 63 GLU HG2 1.857 . 2.288 2.328 2.162 2.427 0.139 4 0 "[ . 1 . 2]" 1
1013 1 63 GLU HB2 1 64 VAL H 2.763 . 3.717 2.600 2.544 2.659 . 0 0 "[ . 1 . 2]" 1
1014 1 63 GLU HB3 1 64 VAL H 3.053 . 4.218 3.516 3.478 3.583 . 0 0 "[ . 1 . 2]" 1
1015 1 63 GLU HB3 1 64 VAL MG1 2.121 . 2.683 2.403 2.234 2.661 . 0 0 "[ . 1 . 2]" 1
1016 1 64 VAL H 1 64 VAL MG1 3.032 . 4.181 3.587 3.209 3.749 . 0 0 "[ . 1 . 2]" 1
1017 1 64 VAL H 1 64 VAL MG2 2.485 . 3.257 1.876 1.777 2.087 . 0 0 "[ . 1 . 2]" 1
1018 1 64 VAL H 1 65 ASP H 2.253 . 2.888 2.195 2.034 2.504 . 0 0 "[ . 1 . 2]" 1
1019 1 64 VAL HA 1 64 VAL HB 2.260 . 2.899 2.866 2.653 2.997 0.098 8 0 "[ . 1 . 2]" 1
1020 1 64 VAL HA 1 64 VAL MG1 2.420 . 3.152 1.932 1.872 2.075 . 0 0 "[ . 1 . 2]" 1
1021 1 64 VAL HA 1 64 VAL MG2 2.531 . 3.332 2.850 2.495 3.127 . 0 0 "[ . 1 . 2]" 1
1022 1 64 VAL HB 1 64 VAL MG1 2.153 . 2.732 2.104 2.094 2.112 . 0 0 "[ . 1 . 2]" 1
1023 1 64 VAL HB 1 64 VAL MG2 2.115 . 2.674 2.137 2.112 2.151 . 0 0 "[ . 1 . 2]" 1
1024 1 64 VAL HB 1 65 ASP H 3.053 . 4.218 3.559 3.022 4.149 . 0 0 "[ . 1 . 2]" 1
1025 1 64 VAL HB 1 79 VAL MG1 3.322 . 4.701 4.568 3.980 4.924 0.223 8 0 "[ . 1 . 2]" 1
1026 1 64 VAL MG1 1 64 VAL MG2 1.850 . 2.278 1.953 1.818 2.023 . 0 0 "[ . 1 . 2]" 1
1027 1 64 VAL MG1 1 76 GLU HB3 2.952 . 4.041 3.237 2.193 4.017 . 0 0 "[ . 1 . 2]" 1
1028 1 64 VAL MG1 1 79 VAL HA 3.589 . 5.199 4.412 4.155 4.599 . 0 0 "[ . 1 . 2]" 1
1029 1 64 VAL MG1 1 80 MET HA 2.628 . 3.491 2.266 1.814 3.425 . 0 0 "[ . 1 . 2]" 1
1030 1 64 VAL MG1 1 83 ARG QD 2.731 . 3.663 3.444 2.585 3.869 0.206 19 0 "[ . 1 . 2]" 1
1031 1 64 VAL MG2 1 65 ASP H 2.754 . 3.702 3.310 2.696 3.693 . 0 0 "[ . 1 . 2]" 1
1032 1 64 VAL MG2 1 80 MET H 2.742 . 3.682 4.000 3.747 4.188 0.506 12 1 "[ . 1 + . 2]" 1
1033 1 64 VAL MG2 1 80 MET HA 2.709 . 3.626 3.523 2.969 3.819 0.193 3 0 "[ . 1 . 2]" 1
1034 1 65 ASP H 1 65 ASP HA 2.662 . 3.548 2.923 2.885 2.960 . 0 0 "[ . 1 . 2]" 1
1035 1 65 ASP H 1 65 ASP HB2 2.628 . 3.491 2.743 2.275 3.260 . 0 0 "[ . 1 . 2]" 1
1036 1 65 ASP H 1 65 ASP HB3 2.611 . 3.463 2.558 2.298 3.360 . 0 0 "[ . 1 . 2]" 1
1037 1 65 ASP HA 1 65 ASP HB2 2.527 . 3.325 2.491 2.295 2.901 . 0 0 "[ . 1 . 2]" 1
1038 1 65 ASP HA 1 65 ASP HB3 2.473 . 3.238 3.009 2.790 3.028 . 0 0 "[ . 1 . 2]" 1
1039 1 65 ASP HA 1 66 GLU H 2.388 . 3.101 2.244 2.153 2.447 . 0 0 "[ . 1 . 2]" 1
1040 1 65 ASP HA 1 67 ASP H 3.266 . 4.600 3.509 3.181 3.899 . 0 0 "[ . 1 . 2]" 1
1041 1 66 GLU H 1 66 GLU HB2 2.532 . 3.334 2.492 2.085 3.534 0.200 15 0 "[ . 1 . 2]" 1
1042 1 66 GLU H 1 66 GLU HG2 2.942 . 4.024 4.029 2.686 4.367 0.343 4 0 "[ . 1 . 2]" 1
1043 1 66 GLU H 1 67 ASP H 2.401 . 3.122 2.383 2.192 2.663 . 0 0 "[ . 1 . 2]" 1
1044 1 66 GLU HA 1 66 GLU HB2 2.173 . 2.763 2.646 2.266 2.993 0.230 9 0 "[ . 1 . 2]" 1
1045 1 66 GLU HA 1 66 GLU HB3 2.369 . 3.070 2.883 2.545 3.026 . 0 0 "[ . 1 . 2]" 1
1046 1 66 GLU HA 1 66 GLU HG3 2.687 . 3.590 3.015 2.243 3.630 0.040 15 0 "[ . 1 . 2]" 1
1047 1 66 GLU HA 1 67 ASP H 2.906 . 3.961 3.503 3.448 3.577 . 0 0 "[ . 1 . 2]" 1
1048 1 66 GLU HA 1 68 GLY H 3.324 . 4.705 3.530 3.342 3.902 . 0 0 "[ . 1 . 2]" 1
1049 1 66 GLU HB2 1 67 ASP H 3.047 . 4.208 3.651 2.652 4.229 0.021 3 0 "[ . 1 . 2]" 1
1050 1 66 GLU HB3 1 67 ASP H 2.524 . 3.320 3.114 2.531 3.550 0.230 15 0 "[ . 1 . 2]" 1
1051 1 67 ASP H 1 67 ASP HA 2.696 . 3.605 2.876 2.854 2.912 . 0 0 "[ . 1 . 2]" 1
1052 1 67 ASP H 1 67 ASP HB2 2.967 . 4.067 3.514 2.765 3.606 . 0 0 "[ . 1 . 2]" 1
1053 1 67 ASP H 1 67 ASP HB3 2.603 . 3.450 2.677 2.280 3.568 0.118 12 0 "[ . 1 . 2]" 1
1054 1 67 ASP H 1 68 GLY H 2.262 . 2.902 2.558 2.441 2.629 . 0 0 "[ . 1 . 2]" 1
1055 1 67 ASP H 1 69 SER H 3.028 . 4.174 3.684 3.513 3.828 . 0 0 "[ . 1 . 2]" 1
1056 1 67 ASP HA 1 67 ASP HB2 2.505 . 3.290 2.485 2.311 3.002 . 0 0 "[ . 1 . 2]" 1
1057 1 67 ASP HA 1 68 GLY H 2.881 . 3.918 3.302 3.279 3.323 . 0 0 "[ . 1 . 2]" 1
1058 1 67 ASP HB3 1 68 GLY H 3.191 . 4.464 4.328 4.135 4.485 0.021 18 0 "[ . 1 . 2]" 1
1059 1 67 ASP HB3 1 69 SER H 3.838 . 5.679 4.429 4.029 4.602 . 0 0 "[ . 1 . 2]" 1
1060 1 68 GLY H 1 68 GLY HA3 2.073 . 2.610 2.840 2.829 2.864 0.254 8 0 "[ . 1 . 2]" 1
1061 1 68 GLY H 1 69 SER H 2.421 . 3.154 2.583 2.518 2.615 . 0 0 "[ . 1 . 2]" 1
1062 1 68 GLY H 1 70 GLY H 3.139 . 4.370 4.142 3.951 4.350 . 0 0 "[ . 1 . 2]" 1
1063 1 68 GLY HA3 1 69 SER H 2.664 . 3.551 3.445 3.395 3.475 . 0 0 "[ . 1 . 2]" 1
1064 1 68 GLY HA3 1 70 GLY H 3.640 . 5.297 4.377 4.125 4.759 . 0 0 "[ . 1 . 2]" 1
1065 1 69 SER H 1 69 SER HA 2.209 . 2.819 2.698 2.217 2.751 . 0 0 "[ . 1 . 2]" 1
1066 1 69 SER H 1 70 GLY H 2.524 . 3.320 2.617 2.540 2.705 . 0 0 "[ . 1 . 2]" 1
1067 1 69 SER H 1 71 THR H 3.499 . 5.029 4.050 3.738 4.322 . 0 0 "[ . 1 . 2]" 1
1068 1 69 SER HA 1 69 SER HB3 2.028 . 2.542 2.523 2.457 3.005 0.463 19 0 "[ . 1 . 2]" 1
1069 1 69 SER HA 1 70 GLY H 2.371 . 3.074 2.303 2.284 2.325 . 0 0 "[ . 1 . 2]" 1
1070 1 69 SER HB2 1 71 THR H 2.646 . 3.521 2.967 2.876 3.158 . 0 0 "[ . 1 . 2]" 1
1071 1 70 GLY H 1 70 GLY HA3 2.197 . 2.801 2.909 2.893 2.927 0.126 4 0 "[ . 1 . 2]" 1
1072 1 70 GLY H 1 71 THR H 2.360 . 3.056 2.503 2.382 2.581 . 0 0 "[ . 1 . 2]" 1
1073 1 70 GLY HA2 1 71 THR MG 3.005 . 4.134 4.207 4.076 4.368 0.234 11 0 "[ . 1 . 2]" 1
1074 1 70 GLY HA3 1 71 THR H 2.873 . 3.905 3.250 3.146 3.364 . 0 0 "[ . 1 . 2]" 1
1075 1 70 GLY HA3 1 71 THR MG 3.113 . 4.324 3.385 3.241 3.611 . 0 0 "[ . 1 . 2]" 1
1076 1 71 THR H 1 71 THR MG 2.950 . 4.037 2.952 2.816 3.127 . 0 0 "[ . 1 . 2]" 1
1077 1 71 THR HA 1 71 THR HB 2.249 . 2.881 2.470 2.433 2.540 . 0 0 "[ . 1 . 2]" 1
1078 1 71 THR HA 1 71 THR MG 2.237 . 2.863 2.305 2.205 2.418 . 0 0 "[ . 1 . 2]" 1
1079 1 71 THR HA 1 72 VAL H 2.320 . 2.993 2.336 2.253 2.431 . 0 0 "[ . 1 . 2]" 1
1080 1 71 THR HA 1 72 VAL MG2 3.498 . 5.028 3.458 3.073 3.741 . 0 0 "[ . 1 . 2]" 1
1081 1 71 THR HB 1 71 THR MG 2.091 . 2.638 2.121 2.104 2.146 . 0 0 "[ . 1 . 2]" 1
1082 1 71 THR HB 1 72 VAL H 2.628 . 3.491 2.632 2.412 2.858 . 0 0 "[ . 1 . 2]" 1
1083 1 72 VAL H 1 72 VAL HB 2.459 . 3.215 2.523 2.385 2.783 . 0 0 "[ . 1 . 2]" 1
1084 1 72 VAL H 1 72 VAL MG1 3.119 . 4.335 3.788 3.733 3.835 . 0 0 "[ . 1 . 2]" 1
1085 1 72 VAL H 1 72 VAL MG2 2.623 . 3.483 2.575 2.020 2.906 . 0 0 "[ . 1 . 2]" 1
1086 1 72 VAL HA 1 72 VAL HB 2.911 . 3.970 3.024 3.002 3.031 . 0 0 "[ . 1 . 2]" 1
1087 1 72 VAL HA 1 72 VAL MG1 2.361 . 3.058 2.393 2.208 2.510 . 0 0 "[ . 1 . 2]" 1
1088 1 72 VAL HA 1 72 VAL MG2 2.290 . 2.945 2.341 2.147 2.576 . 0 0 "[ . 1 . 2]" 1
1089 1 72 VAL HA 1 73 ASP H 2.145 . 2.720 2.150 2.132 2.178 . 0 0 "[ . 1 . 2]" 1
1090 1 72 VAL HA 1 76 GLU HB2 3.321 . 4.700 2.575 2.210 3.134 . 0 0 "[ . 1 . 2]" 1
1091 1 72 VAL HA 1 76 GLU HB3 2.652 . 3.531 2.573 2.021 3.435 . 0 0 "[ . 1 . 2]" 1
1092 1 72 VAL HB 1 72 VAL MG1 2.251 . 2.884 2.124 2.094 2.145 . 0 0 "[ . 1 . 2]" 1
1093 1 72 VAL HB 1 72 VAL MG2 2.247 . 2.878 2.131 2.110 2.153 . 0 0 "[ . 1 . 2]" 1
1094 1 72 VAL MG1 1 73 ASP H 2.800 . 3.780 2.843 2.632 3.210 . 0 0 "[ . 1 . 2]" 1
1095 1 72 VAL MG1 1 76 GLU H 3.467 . 4.970 3.641 3.546 3.859 . 0 0 "[ . 1 . 2]" 1
1096 1 72 VAL MG1 1 76 GLU HA 3.046 . 4.206 3.597 3.382 3.935 . 0 0 "[ . 1 . 2]" 1
1097 1 72 VAL MG1 1 76 GLU HB2 2.389 . 3.102 2.207 1.782 3.118 0.016 14 0 "[ . 1 . 2]" 1
1098 1 72 VAL MG1 1 76 GLU HB3 2.202 . 2.808 1.957 1.704 2.378 . 0 0 "[ . 1 . 2]" 1
1099 1 72 VAL MG1 1 77 PHE H 2.919 . 3.984 2.207 2.016 2.596 . 0 0 "[ . 1 . 2]" 1
1100 1 72 VAL MG1 1 77 PHE HA 2.528 . 3.327 1.997 1.789 2.376 . 0 0 "[ . 1 . 2]" 1
1101 1 72 VAL MG1 1 77 PHE HB2 2.850 . 3.866 2.596 2.313 2.870 . 0 0 "[ . 1 . 2]" 1
1102 1 72 VAL MG1 1 77 PHE HB3 2.596 . 3.438 2.466 1.994 3.534 0.096 17 0 "[ . 1 . 2]" 1
1103 1 72 VAL MG2 1 73 ASP H 3.138 . 4.369 4.104 3.969 4.353 . 0 0 "[ . 1 . 2]" 1
1104 1 72 VAL MG2 1 77 PHE HA 3.143 . 4.378 3.979 3.622 4.418 0.040 4 0 "[ . 1 . 2]" 1
1105 1 73 ASP H 1 73 ASP HB2 3.194 . 4.469 2.850 2.351 3.657 . 0 0 "[ . 1 . 2]" 1
1106 1 73 ASP H 1 73 ASP HB3 3.402 . 4.849 3.343 2.637 3.667 . 0 0 "[ . 1 . 2]" 1
1107 1 73 ASP H 1 76 GLU HB2 3.069 . 4.246 1.803 1.672 2.190 0.220 6 0 "[ . 1 . 2]" 1
1108 1 73 ASP H 1 76 GLU HB3 2.552 . 3.366 3.010 1.834 3.804 0.438 5 0 "[ . 1 . 2]" 1
1109 1 73 ASP HA 1 73 ASP HB2 2.306 . 2.971 2.844 2.418 3.032 0.061 14 0 "[ . 1 . 2]" 1
1110 1 73 ASP HA 1 73 ASP HB3 2.289 . 2.944 2.459 2.331 2.531 . 0 0 "[ . 1 . 2]" 1
1111 1 73 ASP HA 1 74 PHE H 2.562 . 3.383 2.721 2.654 2.775 . 0 0 "[ . 1 . 2]" 1
1112 1 73 ASP HB2 1 74 PHE H 2.813 . 3.802 2.652 1.875 3.140 . 0 0 "[ . 1 . 2]" 1
1113 1 73 ASP HB2 1 75 ASP H 2.446 . 3.194 2.576 2.280 3.084 . 0 0 "[ . 1 . 2]" 1
1114 1 73 ASP HB2 1 76 GLU H 2.889 . 3.933 2.567 2.200 2.784 . 0 0 "[ . 1 . 2]" 1
1115 1 73 ASP HB3 1 74 PHE H 2.390 . 3.104 2.417 1.827 3.538 0.434 11 0 "[ . 1 . 2]" 1
1116 1 73 ASP HB3 1 75 ASP H 2.829 . 3.829 3.837 3.195 4.809 0.980 1 6 "[+ *. ** . -* 2]" 1
1117 1 73 ASP HB3 1 76 GLU H 3.535 . 5.097 4.195 3.834 4.613 . 0 0 "[ . 1 . 2]" 1
1118 1 74 PHE H 1 74 PHE HB2 2.719 . 3.643 2.650 2.332 2.747 . 0 0 "[ . 1 . 2]" 1
1119 1 74 PHE H 1 74 PHE HB3 2.730 . 3.662 2.426 2.338 2.757 . 0 0 "[ . 1 . 2]" 1
1120 1 74 PHE H 1 75 ASP H 2.859 . 3.880 2.802 2.710 2.851 . 0 0 "[ . 1 . 2]" 1
1121 1 74 PHE HA 1 74 PHE HB2 2.541 . 3.348 2.405 2.356 2.568 . 0 0 "[ . 1 . 2]" 1
1122 1 74 PHE HA 1 74 PHE HB3 2.613 . 3.467 3.023 3.011 3.031 . 0 0 "[ . 1 . 2]" 1
1123 1 74 PHE HA 1 74 PHE HD1 2.265 . 2.906 2.353 2.122 2.535 . 0 0 "[ . 1 . 2]" 1
1124 1 74 PHE HA 1 77 PHE HB3 2.597 . 3.440 3.346 2.212 3.796 0.356 14 0 "[ . 1 . 2]" 1
1125 1 74 PHE HB2 1 75 ASP H 2.441 . 3.186 3.048 2.565 3.311 0.125 4 0 "[ . 1 . 2]" 1
1126 1 74 PHE HB3 1 74 PHE HD1 2.615 . 3.470 3.750 3.740 3.766 0.296 9 0 "[ . 1 . 2]" 1
1127 1 74 PHE HB3 1 75 ASP H 3.179 . 4.442 2.480 2.419 2.635 . 0 0 "[ . 1 . 2]" 1
1128 1 74 PHE HD1 1 77 PHE H 3.738 . 5.485 5.601 4.995 5.879 0.394 11 0 "[ . 1 . 2]" 1
1129 1 74 PHE HD1 1 78 LEU MD2 3.282 . 4.628 4.371 2.722 4.853 0.225 12 0 "[ . 1 . 2]" 1
1130 1 74 PHE HE1 1 78 LEU MD1 2.558 . 3.376 2.962 2.322 4.291 0.915 18 4 "[ *. *1 - . + 2]" 1
1131 1 74 PHE HE1 1 78 LEU MD2 2.575 . 3.404 3.024 1.666 3.441 0.080 18 0 "[ . 1 . 2]" 1
1132 1 75 ASP H 1 75 ASP HA 2.755 . 3.704 2.839 2.809 2.855 . 0 0 "[ . 1 . 2]" 1
1133 1 75 ASP H 1 76 GLU H 2.707 . 3.623 2.601 2.499 2.769 . 0 0 "[ . 1 . 2]" 1
1134 1 75 ASP H 1 77 PHE H 3.144 . 4.380 4.246 3.933 4.381 0.001 6 0 "[ . 1 . 2]" 1
1135 1 75 ASP H 1 77 PHE H 3.876 . 5.754 3.995 3.747 4.087 . 0 0 "[ . 1 . 2]" 1
1136 1 75 ASP HA 1 75 ASP HB2 2.205 . 2.813 2.816 2.453 3.009 0.196 20 0 "[ . 1 . 2]" 1
1137 1 75 ASP HA 1 75 ASP HB3 1.889 . 2.335 2.457 2.391 2.505 0.170 18 0 "[ . 1 . 2]" 1
1138 1 75 ASP HA 1 76 GLU H 2.562 . 3.383 2.731 2.716 2.745 . 0 0 "[ . 1 . 2]" 1
1139 1 76 GLU H 1 76 GLU HB2 2.976 . 4.083 2.323 2.062 2.485 . 0 0 "[ . 1 . 2]" 1
1140 1 76 GLU H 1 76 GLU HB3 2.437 . 3.179 3.159 2.738 3.352 0.173 4 0 "[ . 1 . 2]" 1
1141 1 76 GLU H 1 77 PHE H 2.518 . 3.310 2.675 2.517 2.741 . 0 0 "[ . 1 . 2]" 1
1142 1 76 GLU HA 1 76 GLU HG3 2.278 . 2.926 2.619 1.894 3.126 0.200 7 0 "[ . 1 . 2]" 1
1143 1 76 GLU HA 1 79 VAL MG2 2.400 . 3.120 2.878 2.339 3.176 0.056 18 0 "[ . 1 . 2]" 1
1144 1 76 GLU HB2 1 76 GLU HG3 2.205 . 2.813 2.584 2.424 2.891 0.078 4 0 "[ . 1 . 2]" 1
1145 1 76 GLU HB2 1 77 PHE H 3.057 . 4.225 2.784 2.544 3.682 . 0 0 "[ . 1 . 2]" 1
1146 1 76 GLU HB3 1 76 GLU HG3 2.565 . 3.388 2.989 2.818 3.035 . 0 0 "[ . 1 . 2]" 1
1147 1 76 GLU HB3 1 77 PHE H 2.789 . 3.761 3.375 2.552 3.753 . 0 0 "[ . 1 . 2]" 1
1148 1 77 PHE H 1 77 PHE HA 2.632 . 3.498 2.818 2.802 2.835 . 0 0 "[ . 1 . 2]" 1
1149 1 77 PHE H 1 77 PHE HB2 2.308 . 2.974 3.337 2.737 3.465 0.491 14 0 "[ . 1 . 2]" 1
1150 1 77 PHE H 1 77 PHE HB3 2.546 . 3.356 2.112 2.036 2.238 . 0 0 "[ . 1 . 2]" 1
1151 1 77 PHE H 1 78 LEU H 2.916 . 3.979 2.602 2.520 2.859 . 0 0 "[ . 1 . 2]" 1
1152 1 77 PHE HA 1 77 PHE HB2 2.562 . 3.383 2.273 2.235 2.363 . 0 0 "[ . 1 . 2]" 1
1153 1 77 PHE HA 1 77 PHE HB3 2.608 . 3.458 2.756 2.667 3.026 . 0 0 "[ . 1 . 2]" 1
1154 1 77 PHE HA 1 80 MET H 2.838 . 3.845 3.440 3.273 3.776 . 0 0 "[ . 1 . 2]" 1
1155 1 77 PHE HB2 1 77 PHE HD1 3.025 . 4.169 2.565 2.454 2.989 . 0 0 "[ . 1 . 2]" 1
1156 1 77 PHE HB3 1 78 LEU H 3.077 . 4.260 3.404 2.310 3.676 . 0 0 "[ . 1 . 2]" 1
1157 1 77 PHE HD1 1 78 LEU H 3.638 . 5.292 4.206 3.784 4.618 . 0 0 "[ . 1 . 2]" 1
1158 1 77 PHE HD1 1 78 LEU MD2 3.246 . 4.563 4.557 4.221 4.781 0.218 2 0 "[ . 1 . 2]" 1
1159 1 77 PHE HE1 1 78 LEU MD1 3.041 . 4.197 4.462 3.805 4.777 0.580 1 1 "[+ . 1 . 2]" 1
1160 1 77 PHE HE1 1 78 LEU MD2 2.702 . 3.615 3.384 2.848 3.937 0.322 17 0 "[ . 1 . 2]" 1
1161 1 78 LEU H 1 78 LEU HA 2.507 . 3.292 2.829 2.808 2.855 . 0 0 "[ . 1 . 2]" 1
1162 1 78 LEU H 1 79 VAL H 2.820 . 3.814 2.619 2.492 2.689 . 0 0 "[ . 1 . 2]" 1
1163 1 78 LEU HA 1 78 LEU HB2 2.769 . 3.728 2.952 2.728 3.018 . 0 0 "[ . 1 . 2]" 1
1164 1 78 LEU HA 1 78 LEU HB3 2.455 . 3.208 2.660 2.468 2.951 . 0 0 "[ . 1 . 2]" 1
1165 1 78 LEU HA 1 78 LEU MD1 2.552 . 3.366 3.315 1.785 3.723 0.357 15 0 "[ . 1 . 2]" 1
1166 1 78 LEU HA 1 78 LEU MD2 2.374 . 3.078 2.370 2.077 2.903 . 0 0 "[ . 1 . 2]" 1
1167 1 78 LEU HA 1 78 LEU HG 3.312 . 4.683 2.567 2.219 3.544 . 0 0 "[ . 1 . 2]" 1
1168 1 78 LEU HA 1 81 MET H 3.271 . 4.609 3.586 3.403 3.734 . 0 0 "[ . 1 . 2]" 1
1169 1 78 LEU HA 1 81 MET HG2 2.725 . 3.653 3.604 2.780 3.844 0.191 10 0 "[ . 1 . 2]" 1
1170 1 78 LEU HB2 1 78 LEU MD1 2.429 . 3.166 2.261 1.903 3.171 0.005 18 0 "[ . 1 . 2]" 1
1171 1 78 LEU HB2 1 78 LEU MD2 2.879 . 3.915 2.902 2.023 3.171 . 0 0 "[ . 1 . 2]" 1
1172 1 78 LEU HB3 1 78 LEU MD1 2.275 . 2.922 2.627 2.498 2.898 . 0 0 "[ . 1 . 2]" 1
1173 1 78 LEU HB3 1 78 LEU MD2 3.081 . 4.267 2.324 1.979 3.157 . 0 0 "[ . 1 . 2]" 1
1174 1 78 LEU HB3 1 78 LEU HG 2.506 . 3.291 2.836 2.337 3.001 . 0 0 "[ . 1 . 2]" 1
1175 1 78 LEU HB3 1 79 VAL H 2.988 . 4.104 3.308 2.651 3.747 . 0 0 "[ . 1 . 2]" 1
1176 1 78 LEU HB3 1 82 VAL MG2 2.905 . 3.960 3.489 3.036 4.004 0.044 13 0 "[ . 1 . 2]" 1
1177 1 78 LEU MD1 1 78 LEU HG 1.701 . 2.063 2.097 2.082 2.126 0.063 18 0 "[ . 1 . 2]" 1
1178 1 78 LEU MD2 1 78 LEU HG 2.177 . 2.769 2.132 2.111 2.155 . 0 0 "[ . 1 . 2]" 1
1179 1 79 VAL H 1 79 VAL HB 2.622 . 3.482 2.393 2.369 2.422 . 0 0 "[ . 1 . 2]" 1
1180 1 79 VAL H 1 79 VAL MG1 3.312 . 4.683 3.731 3.721 3.739 . 0 0 "[ . 1 . 2]" 1
1181 1 79 VAL H 1 80 MET H 2.687 . 3.590 2.711 2.652 2.827 . 0 0 "[ . 1 . 2]" 1
1182 1 79 VAL HA 1 79 VAL HB 2.165 . 2.751 3.014 3.009 3.022 0.271 1 0 "[ . 1 . 2]" 1
1183 1 79 VAL HA 1 79 VAL MG1 2.368 . 3.069 2.417 2.360 2.520 . 0 0 "[ . 1 . 2]" 1
1184 1 79 VAL HA 1 79 VAL MG2 2.176 . 2.768 2.206 2.133 2.356 . 0 0 "[ . 1 . 2]" 1
1185 1 79 VAL HA 1 79 VAL MG2 1.999 . 2.498 2.188 2.120 2.329 . 0 0 "[ . 1 . 2]" 1
1186 1 79 VAL HA 1 80 MET H 3.473 . 4.981 3.577 3.564 3.595 . 0 0 "[ . 1 . 2]" 1
1187 1 79 VAL HA 1 82 VAL H 3.289 . 4.641 3.295 3.224 3.425 . 0 0 "[ . 1 . 2]" 1
1188 1 79 VAL HA 1 82 VAL HB 2.412 . 3.139 2.268 2.118 2.430 . 0 0 "[ . 1 . 2]" 1
1189 1 79 VAL HA 1 82 VAL MG1 2.580 . 3.412 3.645 3.517 3.733 0.321 8 0 "[ . 1 . 2]" 1
1190 1 79 VAL HA 1 82 VAL MG2 2.341 . 3.026 3.009 2.898 3.111 0.085 13 0 "[ . 1 . 2]" 1
1191 1 79 VAL HB 1 79 VAL MG1 2.056 . 2.584 2.127 2.104 2.153 . 0 0 "[ . 1 . 2]" 1
1192 1 79 VAL HB 1 79 VAL MG2 1.851 . 2.279 2.121 2.107 2.150 . 0 0 "[ . 1 . 2]" 1
1193 1 79 VAL MG1 1 79 VAL MG2 1.913 . 2.371 1.965 1.841 2.056 . 0 0 "[ . 1 . 2]" 1
1194 1 79 VAL MG1 1 80 MET HA 3.405 . 4.855 3.343 3.179 3.499 . 0 0 "[ . 1 . 2]" 1
1195 1 79 VAL MG1 1 83 ARG HB3 2.994 . 4.114 4.133 3.687 4.625 0.511 8 2 "[ - + 1 . 2]" 1
1196 1 79 VAL MG1 1 83 ARG QD 2.489 . 3.263 3.118 2.224 3.448 0.185 2 0 "[ . 1 . 2]" 1
1197 1 80 MET HA 1 80 MET ME 3.562 . 5.148 3.814 1.929 5.112 0.047 15 0 "[ . 1 . 2]" 1
1198 1 80 MET HA 1 83 ARG H 3.546 . 5.118 3.483 3.318 3.658 . 0 0 "[ . 1 . 2]" 1
1199 1 80 MET HA 1 83 ARG HB2 2.688 . 3.591 3.017 2.323 3.552 . 0 0 "[ . 1 . 2]" 1
1200 1 80 MET HA 1 83 ARG QD 2.900 . 3.951 3.530 2.179 4.055 0.104 18 0 "[ . 1 . 2]" 1
1201 1 81 MET H 1 81 MET HB2 2.592 . 3.432 2.404 2.246 2.798 . 0 0 "[ . 1 . 2]" 1
1202 1 81 MET HA 1 81 MET HB2 2.313 . 2.982 3.016 2.998 3.027 0.045 14 0 "[ . 1 . 2]" 1
1203 1 81 MET HA 1 81 MET HB3 2.878 . 3.913 2.522 2.330 2.612 . 0 0 "[ . 1 . 2]" 1
1204 1 81 MET HA 1 81 MET ME 2.720 . 3.644 2.526 1.833 3.316 . 0 0 "[ . 1 . 2]" 1
1205 1 81 MET HA 1 81 MET HG2 2.028 . 2.542 2.601 2.230 2.860 0.318 16 0 "[ . 1 . 2]" 1
1206 1 81 MET HB3 1 82 VAL H 2.465 . 3.224 3.352 3.251 3.456 0.232 14 0 "[ . 1 . 2]" 1
1207 1 81 MET HB3 1 85 MET H 3.725 . 5.460 5.264 4.952 5.490 0.030 12 0 "[ . 1 . 2]" 1
1208 1 81 MET ME 1 84 SER H 2.764 . 3.719 3.708 3.434 3.913 0.194 6 0 "[ . 1 . 2]" 1
1209 1 81 MET ME 1 109 MET ME 2.458 . 3.213 3.338 3.193 3.530 0.317 10 0 "[ . 1 . 2]" 1
1210 1 82 VAL H 1 82 VAL HA 2.642 . 3.515 2.829 2.813 2.837 . 0 0 "[ . 1 . 2]" 1
1211 1 82 VAL HA 1 82 VAL HB 2.205 . 2.813 3.008 3.002 3.015 0.202 12 0 "[ . 1 . 2]" 1
1212 1 82 VAL HA 1 82 VAL MG1 2.223 . 2.840 2.487 2.420 2.523 . 0 0 "[ . 1 . 2]" 1
1213 1 82 VAL HA 1 82 VAL MG2 2.450 . 3.200 2.222 2.127 2.335 . 0 0 "[ . 1 . 2]" 1
1214 1 82 VAL HA 1 83 ARG H 2.508 . 3.294 2.692 2.667 2.705 . 0 0 "[ . 1 . 2]" 1
1215 1 82 VAL HA 1 85 MET ME 2.521 . 3.316 3.127 2.293 3.610 0.294 4 0 "[ . 1 . 2]" 1
1216 1 82 VAL HB 1 82 VAL MG2 1.942 . 2.413 2.127 2.111 2.150 . 0 0 "[ . 1 . 2]" 1
1217 1 82 VAL HB 1 83 ARG H 2.938 . 4.017 2.695 2.585 2.791 . 0 0 "[ . 1 . 2]" 1
1218 1 83 ARG H 1 83 ARG QD 3.077 . 4.261 4.235 3.679 4.405 0.144 18 0 "[ . 1 . 2]" 1
1219 1 83 ARG H 1 84 SER H 2.925 . 3.995 2.762 2.709 2.898 . 0 0 "[ . 1 . 2]" 1
1220 1 83 ARG HA 1 83 ARG HB2 2.290 . 2.945 2.571 2.422 3.015 0.070 3 0 "[ . 1 . 2]" 1
1221 1 83 ARG HA 1 83 ARG HB3 2.229 . 2.850 2.969 2.528 3.022 0.172 6 0 "[ . 1 . 2]" 1
1222 1 83 ARG HA 1 83 ARG QD 2.746 . 3.689 3.645 3.058 3.931 0.242 8 0 "[ . 1 . 2]" 1
1223 1 83 ARG HA 1 83 ARG HG2 2.435 . 3.176 3.134 2.213 3.456 0.280 9 0 "[ . 1 . 2]" 1
1224 1 83 ARG HA 1 83 ARG HG3 2.582 . 3.416 2.329 2.129 3.348 . 0 0 "[ . 1 . 2]" 1
1225 1 83 ARG HB2 1 83 ARG QD 2.316 . 2.987 2.240 1.958 3.257 0.270 3 0 "[ . 1 . 2]" 1
1226 1 83 ARG HB2 1 83 ARG HG3 2.569 . 3.394 2.614 2.258 2.854 . 0 0 "[ . 1 . 2]" 1
1227 1 83 ARG HB3 1 83 ARG QD 2.296 . 2.955 2.647 2.359 3.124 0.169 18 0 "[ . 1 . 2]" 1
1228 1 83 ARG HB3 1 83 ARG HG3 2.378 . 3.085 2.989 2.859 3.031 . 0 0 "[ . 1 . 2]" 1
1229 1 83 ARG QD 1 83 ARG HG2 2.068 . 2.603 2.370 2.188 2.546 . 0 0 "[ . 1 . 2]" 1
1230 1 83 ARG QD 1 83 ARG HG3 2.392 . 3.107 2.333 2.165 2.474 . 0 0 "[ . 1 . 2]" 1
1231 1 84 SER H 1 84 SER HA 2.948 . 4.035 2.838 2.813 2.886 . 0 0 "[ . 1 . 2]" 1
1232 1 84 SER H 1 84 SER QB 2.298 . 2.958 2.369 2.251 2.600 . 0 0 "[ . 1 . 2]" 1
1233 1 84 SER HA 1 85 MET H 2.901 . 3.953 3.530 3.466 3.557 . 0 0 "[ . 1 . 2]" 1
1234 1 84 SER QB 1 105 ALA MB 2.462 . 3.220 2.057 1.726 2.690 . 0 0 "[ . 1 . 2]" 1
1235 1 85 MET HA 1 85 MET ME 2.639 . 3.510 3.014 1.883 3.776 0.266 6 0 "[ . 1 . 2]" 1
1236 1 88 ASP H 1 88 ASP QB 2.742 . 3.682 2.838 2.300 3.337 . 0 0 "[ . 1 . 2]" 1
1237 1 89 SER HA 1 89 SER QB 1.862 . 2.295 2.273 2.189 2.362 0.067 10 0 "[ . 1 . 2]" 1
1238 1 90 LYS H 1 90 LYS HA 2.483 . 3.253 2.654 2.291 2.956 . 0 0 "[ . 1 . 2]" 1
1239 1 90 LYS HA 1 90 LYS HB2 2.180 . 2.774 2.925 2.637 3.001 0.227 16 0 "[ . 1 . 2]" 1
1240 1 90 LYS HA 1 90 LYS HB3 1.942 . 2.413 2.656 2.438 2.943 0.530 15 1 "[ . 1 + 2]" 1
1241 1 90 LYS HA 1 90 LYS QD 1.930 . 2.396 2.261 1.810 2.609 0.213 7 0 "[ . 1 . 2]" 1
1242 1 90 LYS HA 1 90 LYS QG 1.929 . 2.394 2.350 2.049 2.594 0.200 13 0 "[ . 1 . 2]" 1
1243 1 90 LYS HB2 1 90 LYS QG 2.007 . 2.510 2.294 2.173 2.511 0.001 15 0 "[ . 1 . 2]" 1
1244 1 90 LYS HB3 1 90 LYS QE 2.347 . 3.036 2.717 1.810 3.431 0.395 10 0 "[ . 1 . 2]" 1
1245 1 90 LYS QD 1 90 LYS QE 1.764 . 2.153 1.850 1.818 1.878 . 0 0 "[ . 1 . 2]" 1
1246 1 91 GLY QA 1 92 LYS H 3.154 . 4.398 2.391 2.134 2.918 . 0 0 "[ . 1 . 2]" 1
1247 1 92 LYS H 1 92 LYS QB 2.625 . 3.486 2.535 2.195 3.264 . 0 0 "[ . 1 . 2]" 1
1248 1 92 LYS HA 1 92 LYS QB 1.992 . 2.488 2.474 2.369 2.537 0.049 2 0 "[ . 1 . 2]" 1
1249 1 92 LYS HA 1 92 LYS QD 2.802 . 3.783 3.512 1.918 3.919 0.136 10 0 "[ . 1 . 2]" 1
1250 1 92 LYS HA 1 92 LYS HG2 2.607 . 3.457 2.447 1.921 3.399 . 0 0 "[ . 1 . 2]" 1
1251 1 92 LYS HA 1 92 LYS HG3 2.459 . 3.215 2.821 1.922 3.668 0.453 13 0 "[ . 1 . 2]" 1
1252 1 92 LYS HA 1 93 PHE H 2.933 . 4.008 2.843 2.142 3.566 . 0 0 "[ . 1 . 2]" 1
1253 1 92 LYS QB 1 92 LYS HG2 2.056 . 2.584 2.089 1.942 2.258 . 0 0 "[ . 1 . 2]" 1
1254 1 92 LYS QB 1 92 LYS HG3 2.028 . 2.542 2.076 1.931 2.211 . 0 0 "[ . 1 . 2]" 1
1255 1 92 LYS QB 1 92 LYS HG2 2.308 . 2.974 2.399 2.161 2.546 . 0 0 "[ . 1 . 2]" 1
1256 1 92 LYS QB 1 93 PHE H 2.717 . 3.640 2.958 1.747 3.893 0.253 13 0 "[ . 1 . 2]" 1
1257 1 92 LYS QD 1 92 LYS QE 2.314 . 2.983 2.068 2.027 2.109 . 0 0 "[ . 1 . 2]" 1
1258 1 92 LYS QD 1 92 LYS HG2 1.936 . 2.404 2.318 2.175 2.537 0.133 2 0 "[ . 1 . 2]" 1
1259 1 92 LYS QE 1 92 LYS HG2 2.647 . 3.523 2.763 1.950 3.469 . 0 0 "[ . 1 . 2]" 1
1260 1 92 LYS QE 1 92 LYS HG3 2.996 . 4.118 2.562 2.071 3.480 . 0 0 "[ . 1 . 2]" 1
1261 1 93 PHE H 1 93 PHE HB2 3.131 . 4.356 2.951 2.180 3.966 . 0 0 "[ . 1 . 2]" 1
1262 1 93 PHE H 1 93 PHE HB3 3.435 . 4.910 3.540 2.360 4.112 . 0 0 "[ . 1 . 2]" 1
1263 1 93 PHE HA 1 93 PHE HB2 2.391 . 3.106 2.780 2.330 3.015 . 0 0 "[ . 1 . 2]" 1
1264 1 93 PHE HA 1 93 PHE HB3 2.526 . 3.324 2.770 2.517 2.994 . 0 0 "[ . 1 . 2]" 1
1265 1 93 PHE HA 1 93 PHE HD1 3.145 . 4.381 4.345 4.224 4.569 0.188 17 0 "[ . 1 . 2]" 1
1266 1 93 PHE HB2 1 93 PHE HD1 2.307 . 2.972 2.416 2.273 2.692 . 0 0 "[ . 1 . 2]" 1
1267 1 93 PHE HB3 1 93 PHE HD1 2.301 . 2.963 3.135 2.789 3.445 0.482 14 0 "[ . 1 . 2]" 1
1268 1 94 LYS H 1 94 LYS HA 2.604 . 3.451 2.402 2.049 2.813 . 0 0 "[ . 1 . 2]" 1
1269 1 94 LYS H 1 94 LYS HB3 2.517 . 3.309 3.270 2.607 3.865 0.556 14 1 "[ . 1 +. 2]" 1
1270 1 94 LYS HA 1 94 LYS HB3 2.183 . 2.779 2.844 2.497 3.025 0.246 1 0 "[ . 1 . 2]" 1
1271 1 94 LYS HA 1 94 LYS QD 1.640 . 1.976 1.932 1.802 2.082 0.106 4 0 "[ . 1 . 2]" 1
1272 1 94 LYS HA 1 94 LYS QG 2.043 . 2.565 2.520 2.297 2.708 0.143 9 0 "[ . 1 . 2]" 1
1273 1 94 LYS HB2 1 94 LYS QG 1.949 . 2.424 2.318 2.189 2.456 0.032 1 0 "[ . 1 . 2]" 1
1274 1 94 LYS HB3 1 94 LYS QG 1.992 . 2.488 2.276 2.188 2.448 . 0 0 "[ . 1 . 2]" 1
1275 1 94 LYS QE 1 94 LYS QG 2.150 . 2.728 2.232 2.076 2.878 0.150 17 0 "[ . 1 . 2]" 1
1276 1 95 ARG HA 1 95 ARG HB3 2.435 . 3.176 2.613 2.362 3.011 . 0 0 "[ . 1 . 2]" 1
1277 1 95 ARG HA 1 95 ARG QD 2.646 . 3.521 2.822 1.895 3.589 0.068 15 0 "[ . 1 . 2]" 1
1278 1 95 ARG HA 1 95 ARG QG 2.537 . 3.342 2.548 1.889 3.452 0.110 18 0 "[ . 1 . 2]" 1
1279 1 95 ARG HA 1 96 PRO HD2 2.295 . 2.953 3.007 2.670 3.768 0.815 20 1 "[ . 1 . +]" 1
1280 1 95 ARG HA 1 96 PRO HD3 2.252 . 2.886 2.115 1.794 3.741 0.855 20 1 "[ . 1 . +]" 1
1281 1 95 ARG HB2 1 96 PRO HD2 2.872 . 3.903 3.254 1.820 3.867 0.021 5 0 "[ . 1 . 2]" 1
1282 1 95 ARG HB2 1 96 PRO HD3 3.073 . 4.253 3.744 1.820 4.268 0.073 20 0 "[ . 1 . 2]" 1
1283 1 95 ARG HB3 1 96 PRO HD2 2.826 . 3.824 2.351 1.756 4.204 0.380 16 0 "[ . 1 . 2]" 1
1284 1 95 ARG HB3 1 96 PRO HD3 2.760 . 3.712 2.986 1.897 4.421 0.709 16 2 "[ . - 1 .+ 2]" 1
1285 1 95 ARG QD 1 96 PRO HD2 3.028 . 4.174 3.003 2.008 4.025 . 0 0 "[ . 1 . 2]" 1
1286 1 95 ARG QD 1 96 PRO HD3 2.591 . 3.430 3.205 1.867 3.943 0.513 17 1 "[ . 1 . + 2]" 1
1287 1 95 ARG QG 1 96 PRO HD2 3.067 . 4.242 3.326 1.791 4.334 0.101 16 0 "[ . 1 . 2]" 1
1288 1 95 ARG QG 1 96 PRO HD3 3.258 . 4.585 3.420 1.780 4.609 0.151 17 0 "[ . 1 . 2]" 1
1289 1 96 PRO HA 1 96 PRO HB2 2.330 . 3.009 2.889 2.704 2.977 . 0 0 "[ . 1 . 2]" 1
1290 1 96 PRO HA 1 96 PRO HB3 2.215 . 2.828 2.290 2.280 2.298 . 0 0 "[ . 1 . 2]" 1
1291 1 96 PRO HA 1 96 PRO HD3 3.333 . 4.721 3.743 3.435 3.876 . 0 0 "[ . 1 . 2]" 1
1292 1 96 PRO HA 1 96 PRO QG 2.432 . 3.172 3.112 2.899 3.504 0.332 2 0 "[ . 1 . 2]" 1
1293 1 96 PRO HA 1 97 THR H 3.267 . 4.601 2.755 2.185 3.554 . 0 0 "[ . 1 . 2]" 1
1294 1 96 PRO HA 1 97 THR MG 3.333 . 4.722 4.201 3.105 5.517 0.795 15 1 "[ . 1 + 2]" 1
1295 1 96 PRO HB2 1 96 PRO HD2 2.748 . 3.692 3.246 2.928 3.992 0.300 5 0 "[ . 1 . 2]" 1
1296 1 96 PRO HB2 1 96 PRO HD3 2.920 . 3.985 3.934 3.868 4.088 0.103 17 0 "[ . 1 . 2]" 1
1297 1 96 PRO HB3 1 96 PRO HD2 3.007 . 4.137 3.895 3.871 4.004 . 0 0 "[ . 1 . 2]" 1
1298 1 96 PRO HB3 1 96 PRO HD3 2.892 . 3.937 3.811 3.108 4.061 0.124 9 0 "[ . 1 . 2]" 1
1299 1 96 PRO HB3 1 96 PRO QG 1.937 . 2.406 2.170 2.150 2.209 . 0 0 "[ . 1 . 2]" 1
1300 1 96 PRO HD2 1 96 PRO QG 2.252 . 2.886 2.237 2.177 2.273 . 0 0 "[ . 1 . 2]" 1
1301 1 96 PRO HD3 1 96 PRO QG 2.232 . 2.855 2.208 2.175 2.229 . 0 0 "[ . 1 . 2]" 1
1302 1 97 THR HA 1 97 THR MG 2.358 . 3.053 3.094 2.185 3.184 0.131 1 0 "[ . 1 . 2]" 1
1303 1 97 THR HA 1 98 LEU H 2.636 . 3.505 3.057 2.276 3.552 0.047 17 0 "[ . 1 . 2]" 1
1304 1 97 THR HB 1 97 THR MG 1.944 . 2.416 2.129 2.102 2.149 . 0 0 "[ . 1 . 2]" 1
1305 1 97 THR MG 1 98 LEU QB 2.308 . 2.974 2.759 1.919 3.288 0.314 16 0 "[ . 1 . 2]" 1
1306 1 98 LEU H 1 98 LEU QB 2.561 . 3.381 2.524 2.060 3.298 . 0 0 "[ . 1 . 2]" 1
1307 1 98 LEU H 1 98 LEU MD2 4.078 . 6.156 3.675 2.385 4.425 . 0 0 "[ . 1 . 2]" 1
1308 1 98 LEU HA 1 98 LEU QB 2.061 . 2.592 2.470 2.362 2.540 . 0 0 "[ . 1 . 2]" 1
1309 1 98 LEU HA 1 98 LEU MD1 2.678 . 3.575 3.374 1.828 3.793 0.218 12 0 "[ . 1 . 2]" 1
1310 1 98 LEU HA 1 98 LEU MD2 2.003 . 2.504 2.104 1.800 2.570 0.066 3 0 "[ . 1 . 2]" 1
1311 1 98 LEU QB 1 98 LEU QD 1.881 . 2.323 1.909 1.815 2.039 . 0 0 "[ . 1 . 2]" 1
1312 1 98 LEU QB 1 98 LEU MD1 1.862 . 2.296 1.881 1.834 1.974 . 0 0 "[ . 1 . 2]" 1
1313 1 98 LEU QB 1 98 LEU MD2 2.062 . 2.593 1.924 1.861 1.981 . 0 0 "[ . 1 . 2]" 1
1314 1 98 LEU MD2 1 98 LEU HG 2.077 . 2.616 2.133 2.112 2.151 . 0 0 "[ . 1 . 2]" 1
1315 1 101 VAL H 1 101 VAL HB 2.665 . 3.553 3.073 2.132 3.828 0.275 15 0 "[ . 1 . 2]" 1
1316 1 101 VAL H 1 101 VAL MG2 2.592 . 3.432 2.474 1.736 3.575 0.143 2 0 "[ . 1 . 2]" 1
1317 1 101 VAL HA 1 101 VAL HB 2.333 . 3.013 2.893 2.396 3.027 0.014 8 0 "[ . 1 . 2]" 1
1318 1 101 VAL HA 1 101 VAL MG1 2.026 . 2.539 2.353 2.039 2.957 0.418 7 0 "[ . 1 . 2]" 1
1319 1 101 VAL HA 1 101 VAL QG 2.291 . 2.947 2.071 1.908 2.372 . 0 0 "[ . 1 . 2]" 1
1320 1 101 VAL HA 1 102 ARG H 2.454 . 3.207 2.393 2.149 3.528 0.321 16 0 "[ . 1 . 2]" 1
1321 1 101 VAL HA 1 102 ARG QG 3.437 . 4.914 4.613 3.686 5.288 0.374 14 0 "[ . 1 . 2]" 1
1322 1 101 VAL HB 1 101 VAL MG1 1.756 . 2.142 2.131 2.105 2.152 0.010 11 0 "[ . 1 . 2]" 1
1323 1 101 VAL HB 1 101 VAL QG 1.974 . 2.461 1.897 1.877 1.913 . 0 0 "[ . 1 . 2]" 1
1324 1 101 VAL HB 1 102 ARG H 3.079 . 4.264 3.641 1.890 4.386 0.122 3 0 "[ . 1 . 2]" 1
1325 1 101 VAL HB 1 103 ILE MD 3.139 . 4.371 3.718 2.202 4.384 0.013 16 0 "[ . 1 . 2]" 1
1326 1 101 VAL MG1 1 102 ARG HB2 3.497 . 5.025 4.650 3.792 5.379 0.354 4 0 "[ . 1 . 2]" 1
1327 1 101 VAL MG1 1 103 ILE H 3.287 . 4.637 3.074 1.956 3.855 . 0 0 "[ . 1 . 2]" 1
1328 1 102 ARG H 1 102 ARG HA 2.781 . 3.748 2.817 2.307 2.959 . 0 0 "[ . 1 . 2]" 1
1329 1 102 ARG H 1 102 ARG HB2 2.403 . 3.125 2.595 2.122 3.280 0.155 15 0 "[ . 1 . 2]" 1
1330 1 102 ARG HA 1 102 ARG HB2 2.461 . 3.218 2.956 2.864 3.034 . 0 0 "[ . 1 . 2]" 1
1331 1 102 ARG HA 1 102 ARG HB3 2.745 . 3.687 2.686 2.438 2.823 . 0 0 "[ . 1 . 2]" 1
1332 1 102 ARG HA 1 102 ARG QD 2.341 . 3.026 2.568 1.850 3.199 0.173 14 0 "[ . 1 . 2]" 1
1333 1 102 ARG HA 1 102 ARG QG 2.434 . 3.175 2.273 1.867 2.865 . 0 0 "[ . 1 . 2]" 1
1334 1 102 ARG HA 1 103 ILE H 2.376 . 3.081 2.312 2.153 2.760 . 0 0 "[ . 1 . 2]" 1
1335 1 102 ARG QD 1 102 ARG QG 1.574 . 1.884 2.049 1.976 2.102 0.218 15 0 "[ . 1 . 2]" 1
1336 1 103 ILE H 1 103 ILE HB 2.525 . 3.322 2.271 2.077 2.740 . 0 0 "[ . 1 . 2]" 1
1337 1 103 ILE H 1 103 ILE HG13 3.031 . 4.179 3.824 2.994 4.438 0.259 3 0 "[ . 1 . 2]" 1
1338 1 103 ILE HA 1 103 ILE HB 2.498 . 3.278 2.927 2.588 3.026 . 0 0 "[ . 1 . 2]" 1
1339 1 103 ILE HA 1 103 ILE MD 2.591 . 3.430 2.737 1.885 3.477 0.047 14 0 "[ . 1 . 2]" 1
1340 1 103 ILE HA 1 103 ILE HG12 2.546 . 3.356 3.473 3.210 3.582 0.226 6 0 "[ . 1 . 2]" 1
1341 1 103 ILE HA 1 103 ILE HG13 2.617 . 3.473 2.244 2.060 2.543 . 0 0 "[ . 1 . 2]" 1
1342 1 103 ILE HA 1 103 ILE MG 2.493 . 3.270 2.674 2.122 3.169 . 0 0 "[ . 1 . 2]" 1
1343 1 103 ILE HA 1 104 SER H 2.413 . 3.141 2.223 2.161 2.446 . 0 0 "[ . 1 . 2]" 1
1344 1 103 ILE HB 1 103 ILE MD 2.065 . 2.598 2.171 1.990 2.424 . 0 0 "[ . 1 . 2]" 1
1345 1 103 ILE HB 1 103 ILE HG12 2.495 . 3.273 2.594 2.454 2.816 . 0 0 "[ . 1 . 2]" 1
1346 1 103 ILE HB 1 103 ILE HG13 2.423 . 3.157 3.001 2.903 3.033 . 0 0 "[ . 1 . 2]" 1
1347 1 103 ILE HB 1 103 ILE MG 2.077 . 2.616 2.146 2.116 2.156 . 0 0 "[ . 1 . 2]" 1
1348 1 103 ILE MD 1 103 ILE HG12 2.024 . 2.536 2.126 2.106 2.153 . 0 0 "[ . 1 . 2]" 1
1349 1 103 ILE MD 1 103 ILE HG13 2.276 . 2.924 2.126 2.108 2.155 . 0 0 "[ . 1 . 2]" 1
1350 1 103 ILE HG12 1 103 ILE MG 2.512 . 3.301 2.190 2.005 2.385 . 0 0 "[ . 1 . 2]" 1
1351 1 103 ILE HG12 1 103 ILE MG 2.219 . 2.835 2.165 1.987 2.364 . 0 0 "[ . 1 . 2]" 1
1352 1 103 ILE HG13 1 103 ILE MG 2.020 . 2.530 2.563 2.341 2.859 0.329 14 0 "[ . 1 . 2]" 1
1353 1 103 ILE MG 1 105 ALA HA 2.444 . 3.190 3.409 3.333 3.654 0.464 4 0 "[ . 1 . 2]" 1
1354 1 104 SER H 1 107 ALA MB 2.230 . 2.852 2.968 2.619 3.167 0.315 7 0 "[ . 1 . 2]" 1
1355 1 104 SER HA 1 104 SER HB2 2.196 . 2.799 2.592 2.304 3.013 0.214 12 0 "[ . 1 . 2]" 1
1356 1 104 SER HA 1 104 SER HB3 2.286 . 2.939 2.573 2.250 3.004 0.065 6 0 "[ . 1 . 2]" 1
1357 1 104 SER HA 1 105 ALA H 2.630 . 3.495 2.172 2.141 2.296 . 0 0 "[ . 1 . 2]" 1
1358 1 104 SER HA 1 107 ALA MB 3.034 . 4.185 4.245 4.123 4.358 0.173 9 0 "[ . 1 . 2]" 1
1359 1 104 SER HB2 1 107 ALA MB 2.995 . 4.116 2.986 1.780 3.754 0.094 20 0 "[ . 1 . 2]" 1
1360 1 104 SER HB3 1 105 ALA H 2.790 . 3.763 3.905 3.087 4.299 0.536 17 1 "[ . 1 . + 2]" 1
1361 1 105 ALA H 1 105 ALA MB 3.039 . 4.194 2.141 2.027 2.247 . 0 0 "[ . 1 . 2]" 1
1362 1 105 ALA H 1 106 ASP H 3.191 . 4.464 2.685 2.651 2.711 . 0 0 "[ . 1 . 2]" 1
1363 1 105 ALA HA 1 105 ALA MB 2.199 . 2.803 2.131 2.105 2.164 . 0 0 "[ . 1 . 2]" 1
1364 1 105 ALA HA 1 105 ALA MB 1.813 . 2.224 2.002 1.944 2.060 . 0 0 "[ . 1 . 2]" 1
1365 1 105 ALA HA 1 109 MET H 2.658 . 3.541 3.346 3.235 3.433 . 0 0 "[ . 1 . 2]" 1
1366 1 105 ALA HA 1 108 MET HB3 2.822 . 3.818 2.804 2.479 3.090 . 0 0 "[ . 1 . 2]" 1
1367 1 105 ALA HA 1 108 MET ME 2.500 . 3.281 3.309 2.596 3.722 0.441 3 0 "[ . 1 . 2]" 1
1368 1 105 ALA HA 1 108 MET HG3 3.512 . 5.054 5.060 4.696 5.339 0.285 7 0 "[ . 1 . 2]" 1
1369 1 105 ALA MB 1 106 ASP H 2.590 . 3.428 2.600 2.501 2.697 . 0 0 "[ . 1 . 2]" 1
1370 1 105 ALA MB 1 109 MET QG 2.912 . 3.972 3.474 3.129 4.115 0.143 20 0 "[ . 1 . 2]" 1
1371 1 105 ALA MB 1 109 MET H 3.397 . 4.839 4.526 4.312 4.767 . 0 0 "[ . 1 . 2]" 1
1372 1 106 ASP H 1 106 ASP HA 2.499 . 3.279 2.819 2.805 2.831 . 0 0 "[ . 1 . 2]" 1
1373 1 106 ASP H 1 106 ASP QB 2.281 . 2.931 2.360 2.250 2.778 . 0 0 "[ . 1 . 2]" 1
1374 1 106 ASP H 1 107 ALA H 2.537 . 3.341 2.680 2.638 2.734 . 0 0 "[ . 1 . 2]" 1
1375 1 106 ASP HA 1 109 MET ME 2.654 . 3.534 2.679 1.822 3.529 . 0 0 "[ . 1 . 2]" 1
1376 1 106 ASP HA 1 109 MET QG 2.379 . 3.086 2.493 1.783 3.131 0.045 3 0 "[ . 1 . 2]" 1
1377 1 106 ASP QB 1 107 ALA H 2.330 . 3.009 2.592 2.443 3.200 0.191 12 0 "[ . 1 . 2]" 1
1378 1 106 ASP QB 1 107 ALA MB 2.976 . 4.083 3.897 3.798 4.317 0.234 12 0 "[ . 1 . 2]" 1
1379 1 107 ALA H 1 107 ALA MB 2.335 . 3.017 2.174 2.069 2.243 . 0 0 "[ . 1 . 2]" 1
1380 1 107 ALA H 1 108 MET H 2.483 . 3.254 2.670 2.589 2.723 . 0 0 "[ . 1 . 2]" 1
1381 1 107 ALA HA 1 110 GLN QB 2.440 . 3.184 2.949 2.594 3.315 0.131 7 0 "[ . 1 . 2]" 1
1382 1 107 ALA MB 1 108 MET H 2.592 . 3.432 2.552 2.456 2.666 . 0 0 "[ . 1 . 2]" 1
1383 1 107 ALA MB 1 110 GLN QB 2.680 . 3.578 3.555 3.465 3.637 0.059 19 0 "[ . 1 . 2]" 1
1384 1 108 MET H 1 108 MET HA 2.422 . 3.155 2.829 2.802 2.852 . 0 0 "[ . 1 . 2]" 1
1385 1 108 MET H 1 108 MET HB3 2.187 . 2.785 2.531 2.418 2.686 . 0 0 "[ . 1 . 2]" 1
1386 1 108 MET HA 1 108 MET HG2 2.676 . 3.571 2.685 2.234 3.722 0.151 8 0 "[ . 1 . 2]" 1
1387 1 108 MET HA 1 108 MET HG3 2.445 . 3.192 3.173 2.406 3.516 0.324 20 0 "[ . 1 . 2]" 1
1388 1 108 MET HA 1 111 ALA MB 1.926 . 2.390 2.440 2.252 2.694 0.304 6 0 "[ . 1 . 2]" 1
1389 1 108 MET HG2 1 112 LEU MD1 2.706 . 3.621 2.932 1.906 3.569 . 0 0 "[ . 1 . 2]" 1
1390 1 108 MET HG3 1 112 LEU MD1 2.666 . 3.554 3.206 1.881 3.762 0.208 12 0 "[ . 1 . 2]" 1
1391 1 109 MET H 1 109 MET HA 2.797 . 3.775 2.807 2.763 2.833 . 0 0 "[ . 1 . 2]" 1
1392 1 109 MET H 1 109 MET QG 2.382 . 3.091 2.224 1.901 2.517 . 0 0 "[ . 1 . 2]" 1
1393 1 109 MET H 1 110 GLN H 2.829 . 3.829 2.697 2.605 2.809 . 0 0 "[ . 1 . 2]" 1
1394 1 109 MET HA 1 109 MET QB 2.256 . 2.892 2.334 2.177 2.409 . 0 0 "[ . 1 . 2]" 1
1395 1 109 MET HA 1 110 GLN H 3.139 . 4.371 3.537 3.519 3.557 . 0 0 "[ . 1 . 2]" 1
1396 1 109 MET HA 1 112 LEU H 4.040 . 6.080 3.456 3.344 3.625 . 0 0 "[ . 1 . 2]" 1
1397 1 109 MET HA 1 112 LEU MD1 2.686 . 3.588 2.602 2.075 3.015 . 0 0 "[ . 1 . 2]" 1
1398 1 109 MET HA 1 113 LEU QD 2.572 . 3.399 2.048 1.811 2.483 . 0 0 "[ . 1 . 2]" 1
1399 1 109 MET QB 1 113 LEU QD 2.771 . 3.731 2.386 1.867 3.465 . 0 0 "[ . 1 . 2]" 1
1400 1 109 MET ME 1 109 MET QG 2.169 . 2.757 2.227 1.975 2.442 . 0 0 "[ . 1 . 2]" 1
1401 1 109 MET ME 1 113 LEU QD 2.373 . 3.077 2.404 1.735 2.832 . 0 0 "[ . 1 . 2]" 1
1402 1 109 MET QG 1 110 GLN H 2.827 . 3.826 3.561 1.760 4.064 0.238 13 0 "[ . 1 . 2]" 1
1403 1 110 GLN H 1 111 ALA H 2.240 . 2.867 2.628 2.594 2.681 . 0 0 "[ . 1 . 2]" 1
1404 1 110 GLN HA 1 110 GLN QB 1.932 . 2.399 2.410 2.359 2.515 0.116 1 0 "[ . 1 . 2]" 1
1405 1 110 GLN HA 1 110 GLN HG2 2.431 . 3.170 2.584 2.071 3.443 0.273 13 0 "[ . 1 . 2]" 1
1406 1 110 GLN HA 1 110 GLN HG3 2.429 . 3.167 2.828 2.127 3.458 0.291 1 0 "[ . 1 . 2]" 1
1407 1 110 GLN QB 1 110 GLN HG2 1.770 . 2.162 2.386 2.170 2.546 0.384 8 0 "[ . 1 . 2]" 1
1408 1 110 GLN QB 1 111 ALA H 2.427 . 3.163 2.606 2.493 2.763 . 0 0 "[ . 1 . 2]" 1
1409 1 111 ALA H 1 111 ALA HA 2.891 . 3.935 2.824 2.812 2.842 . 0 0 "[ . 1 . 2]" 1
1410 1 111 ALA H 1 111 ALA MB 2.126 . 2.691 2.067 2.029 2.140 . 0 0 "[ . 1 . 2]" 1
1411 1 111 ALA H 1 112 LEU H 2.892 . 3.937 2.655 2.593 2.688 . 0 0 "[ . 1 . 2]" 1
1412 1 111 ALA HA 1 112 LEU H 2.820 . 3.814 2.751 2.718 2.782 . 0 0 "[ . 1 . 2]" 1
1413 1 111 ALA MB 1 112 LEU H 2.445 . 3.192 2.661 2.569 2.737 . 0 0 "[ . 1 . 2]" 1
1414 1 112 LEU H 1 112 LEU MD2 3.500 . 5.031 3.177 2.974 3.539 . 0 0 "[ . 1 . 2]" 1
1415 1 112 LEU H 1 112 LEU HG 2.316 . 2.986 2.069 1.726 2.181 . 0 0 "[ . 1 . 2]" 1
1416 1 112 LEU H 1 113 LEU H 2.694 . 3.601 2.565 2.412 2.756 . 0 0 "[ . 1 . 2]" 1
1417 1 112 LEU HA 1 112 LEU HB2 2.578 . 3.409 3.017 2.994 3.024 . 0 0 "[ . 1 . 2]" 1
1418 1 112 LEU HA 1 112 LEU HB3 2.475 . 3.241 2.422 2.315 2.477 . 0 0 "[ . 1 . 2]" 1
1419 1 112 LEU HA 1 112 LEU MD1 2.563 . 3.384 3.767 3.730 3.945 0.561 11 1 "[ . 1+ . 2]" 1
1420 1 112 LEU HA 1 112 LEU MD2 2.132 . 2.700 1.981 1.778 2.330 . 0 0 "[ . 1 . 2]" 1
1421 1 112 LEU HA 1 112 LEU HG 2.738 . 3.675 3.062 2.808 3.210 . 0 0 "[ . 1 . 2]" 1
1422 1 112 LEU HA 1 113 LEU H 3.215 . 4.507 3.562 3.539 3.600 . 0 0 "[ . 1 . 2]" 1
1423 1 112 LEU HB2 1 112 LEU MD2 2.636 . 3.504 3.194 3.152 3.208 . 0 0 "[ . 1 . 2]" 1
1424 1 112 LEU HB3 1 112 LEU MD1 2.030 . 2.545 1.958 1.797 2.100 . 0 0 "[ . 1 . 2]" 1
1425 1 112 LEU HB3 1 112 LEU MD1 1.978 . 2.467 2.331 2.202 2.536 0.069 11 0 "[ . 1 . 2]" 1
1426 1 112 LEU HB3 1 112 LEU MD2 2.604 . 3.452 2.308 2.162 2.394 . 0 0 "[ . 1 . 2]" 1
1427 1 112 LEU MD1 1 112 LEU MD2 2.133 . 2.702 2.017 1.865 2.074 . 0 0 "[ . 1 . 2]" 1
1428 1 112 LEU MD1 1 112 LEU HG 1.972 . 2.458 1.911 1.775 1.994 . 0 0 "[ . 1 . 2]" 1
1429 1 112 LEU MD2 1 112 LEU HG 1.932 . 2.399 2.134 2.109 2.153 . 0 0 "[ . 1 . 2]" 1
1430 1 113 LEU H 1 113 LEU HA 2.743 . 3.684 2.849 2.818 2.911 . 0 0 "[ . 1 . 2]" 1
1431 1 113 LEU H 1 113 LEU HB2 2.341 . 3.026 2.383 2.127 2.718 . 0 0 "[ . 1 . 2]" 1
1432 1 113 LEU H 1 113 LEU HB3 2.579 . 3.410 3.547 3.443 3.605 0.195 16 0 "[ . 1 . 2]" 1
1433 1 113 LEU H 1 113 LEU QD 2.733 . 3.666 2.808 1.785 3.169 0.015 14 0 "[ . 1 . 2]" 1
1434 1 113 LEU H 1 114 GLY H 2.483 . 3.254 2.544 2.383 2.643 . 0 0 "[ . 1 . 2]" 1
1435 1 113 LEU H 1 114 GLY QA 3.119 . 4.335 4.414 4.209 4.553 0.218 11 0 "[ . 1 . 2]" 1
1436 1 113 LEU HA 1 113 LEU HB2 2.448 . 3.197 3.016 2.966 3.031 . 0 0 "[ . 1 . 2]" 1
1437 1 113 LEU HA 1 113 LEU HB3 2.447 . 3.195 2.513 2.335 2.692 . 0 0 "[ . 1 . 2]" 1
1438 1 113 LEU HA 1 113 LEU HG 2.513 . 3.302 2.745 2.238 3.123 . 0 0 "[ . 1 . 2]" 1
1439 1 113 LEU HA 1 114 GLY H 3.237 . 4.547 3.523 3.394 3.565 . 0 0 "[ . 1 . 2]" 1
1440 1 113 LEU HB2 1 114 GLY H 3.013 . 4.148 2.704 2.279 3.361 . 0 0 "[ . 1 . 2]" 1
1441 1 113 LEU HB3 1 113 LEU QD 2.275 . 2.922 2.120 1.889 2.400 . 0 0 "[ . 1 . 2]" 1
1442 1 113 LEU HB3 1 113 LEU HG 2.255 . 2.891 2.884 2.430 3.021 0.130 3 0 "[ . 1 . 2]" 1
1443 1 113 LEU HB3 1 114 GLY H 2.827 . 3.826 3.619 3.151 3.942 0.116 18 0 "[ . 1 . 2]" 1
1444 1 113 LEU QD 1 113 LEU HG 1.972 . 2.458 1.895 1.878 1.911 . 0 0 "[ . 1 . 2]" 1
1445 1 114 GLY H 1 114 GLY QA 2.035 . 2.553 2.242 2.188 2.370 . 0 0 "[ . 1 . 2]" 1
1446 1 114 GLY QA 1 115 ALA H 2.712 . 3.632 2.344 2.146 2.877 . 0 0 "[ . 1 . 2]" 1
1447 1 114 GLY QA 1 115 ALA MB 2.848 . 3.862 3.734 3.415 4.179 0.317 4 0 "[ . 1 . 2]" 1
1448 1 115 ALA H 1 115 ALA HA 2.790 . 3.763 2.742 2.297 2.959 . 0 0 "[ . 1 . 2]" 1
1449 1 115 ALA H 1 115 ALA MB 2.795 . 3.771 2.553 2.002 3.034 . 0 0 "[ . 1 . 2]" 1
1450 1 115 ALA HA 1 115 ALA MB 1.810 . 2.220 2.115 2.100 2.141 . 0 0 "[ . 1 . 2]" 1
1451 1 115 ALA HA 1 115 ALA MB 1.756 . 2.141 1.886 1.871 1.906 . 0 0 "[ . 1 . 2]" 1
1452 1 115 ALA HA 1 116 ARG H 2.272 . 2.917 2.465 1.987 2.809 . 0 0 "[ . 1 . 2]" 1
1453 1 115 ALA MB 1 116 ARG H 2.726 . 3.655 2.904 1.793 3.675 0.020 3 0 "[ . 1 . 2]" 1
1454 1 116 ARG H 1 116 ARG HG2 2.672 . 3.565 2.720 1.764 3.683 0.118 5 0 "[ . 1 . 2]" 1
1455 1 116 ARG HA 1 116 ARG HB3 2.263 . 2.903 2.511 2.277 2.918 0.015 15 0 "[ . 1 . 2]" 1
1456 1 117 ALA H 1 117 ALA MB 2.344 . 3.031 2.497 2.060 2.973 . 0 0 "[ . 1 . 2]" 1
1457 1 117 ALA MB 1 118 LYS H 2.921 . 3.987 2.857 1.776 3.717 0.079 13 0 "[ . 1 . 2]" 1
1458 1 118 LYS H 1 118 LYS HA 2.651 . 3.529 2.661 2.296 2.960 . 0 0 "[ . 1 . 2]" 1
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