NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
377774 |
1gd5   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gd5
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 1520
_Distance_constraint_stats_list.Viol_count 6934
_Distance_constraint_stats_list.Viol_total 14401.953
_Distance_constraint_stats_list.Viol_max 0.952
_Distance_constraint_stats_list.Viol_rms 0.0651
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0237
_Distance_constraint_stats_list.Viol_average_violations_only 0.1039
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.249 0.090 5 0 "[ . 1 . 2]"
1 3 MET 0.291 0.090 5 0 "[ . 1 . 2]"
1 4 GLY 0.042 0.042 9 0 "[ . 1 . 2]"
1 5 ASP 4.312 0.256 14 0 "[ . 1 . 2]"
1 6 THR 0.487 0.065 4 0 "[ . 1 . 2]"
1 7 PHE 5.921 0.283 3 0 "[ . 1 . 2]"
1 8 ILE 1.554 0.154 1 0 "[ . 1 . 2]"
1 9 ARG 7.625 0.399 17 0 "[ . 1 . 2]"
1 10 HIS 13.228 0.399 17 0 "[ . 1 . 2]"
1 11 ILE 0.579 0.064 3 0 "[ . 1 . 2]"
1 12 ALA 1.916 0.095 7 0 "[ . 1 . 2]"
1 13 LEU 7.064 0.438 20 0 "[ . 1 . 2]"
1 14 LEU 16.092 0.438 20 0 "[ . 1 . 2]"
1 15 GLY 7.851 0.412 19 0 "[ . 1 . 2]"
1 16 PHE 25.758 0.933 4 3 "[ +* - 1 . 2]"
1 17 GLU 5.741 0.469 3 0 "[ . 1 . 2]"
1 18 LYS 3.901 0.266 8 0 "[ . 1 . 2]"
1 19 ARG 6.447 0.177 8 0 "[ . 1 . 2]"
1 20 PHE 12.177 0.293 14 0 "[ . 1 . 2]"
1 21 VAL 8.956 0.175 7 0 "[ . 1 . 2]"
1 22 PRO 9.299 0.269 20 0 "[ . 1 . 2]"
1 23 SER 11.308 0.269 20 0 "[ . 1 . 2]"
1 24 GLN 20.622 0.293 14 0 "[ . 1 . 2]"
1 25 HIS 12.712 0.457 9 0 "[ . 1 . 2]"
1 26 TYR 0.502 0.074 9 0 "[ . 1 . 2]"
1 27 VAL 4.575 0.150 3 0 "[ . 1 . 2]"
1 28 TYR 12.657 0.254 15 0 "[ . 1 . 2]"
1 29 MET 17.952 0.366 11 0 "[ . 1 . 2]"
1 30 PHE 9.110 0.371 9 0 "[ . 1 . 2]"
1 31 LEU 2.364 0.105 12 0 "[ . 1 . 2]"
1 32 VAL 8.641 0.139 11 0 "[ . 1 . 2]"
1 33 LYS 7.399 0.448 10 0 "[ . 1 . 2]"
1 34 TRP 11.929 0.197 17 0 "[ . 1 . 2]"
1 35 GLN 14.282 0.700 19 14 "[*** ** **1** -.* *+*]"
1 36 ASP 28.446 0.700 19 16 "[*** ** ***** -.***+*]"
1 37 LEU 6.478 0.387 6 0 "[ . 1 . 2]"
1 38 SER 6.041 0.153 9 0 "[ . 1 . 2]"
1 39 GLU 6.396 0.236 6 0 "[ . 1 . 2]"
1 40 LYS 6.923 0.161 4 0 "[ . 1 . 2]"
1 41 VAL 1.838 0.134 2 0 "[ . 1 . 2]"
1 42 VAL 4.099 0.172 5 0 "[ . 1 . 2]"
1 43 TYR 3.979 0.179 1 0 "[ . 1 . 2]"
1 44 ARG 6.750 0.205 4 0 "[ . 1 . 2]"
1 45 ARG 2.685 0.208 14 0 "[ . 1 . 2]"
1 46 PHE 10.697 0.473 7 0 "[ . 1 . 2]"
1 47 THR 6.628 0.473 7 0 "[ . 1 . 2]"
1 48 GLU 9.221 0.267 20 0 "[ . 1 . 2]"
1 49 ILE 5.927 0.208 14 0 "[ . 1 . 2]"
1 50 TYR 11.452 0.315 9 0 "[ . 1 . 2]"
1 51 GLU 4.790 0.099 5 0 "[ . 1 . 2]"
1 52 PHE 11.815 0.425 6 0 "[ . 1 . 2]"
1 53 HIS 13.181 0.349 17 0 "[ . 1 . 2]"
1 54 LYS 13.450 0.349 17 0 "[ . 1 . 2]"
1 55 THR 11.895 0.211 14 0 "[ . 1 . 2]"
1 56 LEU 10.715 0.130 4 0 "[ . 1 . 2]"
1 57 LYS 11.946 0.372 14 0 "[ . 1 . 2]"
1 58 GLU 28.517 0.592 19 2 "[ . -1 . +2]"
1 59 MET 15.571 0.211 14 0 "[ . 1 . 2]"
1 60 PHE 13.626 0.224 10 0 "[ . 1 . 2]"
1 61 PRO 4.042 0.164 7 0 "[ . 1 . 2]"
1 62 ILE 24.225 0.469 12 0 "[ . 1 . 2]"
1 63 GLU 10.989 0.381 2 0 "[ . 1 . 2]"
1 64 ALA 6.873 0.165 2 0 "[ . 1 . 2]"
1 65 GLY 7.100 0.112 4 0 "[ . 1 . 2]"
1 66 ALA 14.853 0.189 13 0 "[ . 1 . 2]"
1 67 ILE 11.630 0.207 13 0 "[ . 1 . 2]"
1 68 ASN 13.345 0.422 10 0 "[ . 1 . 2]"
1 69 PRO 13.135 0.381 6 0 "[ . 1 . 2]"
1 70 GLU 23.786 0.402 14 0 "[ . 1 . 2]"
1 71 ASN 10.346 0.167 2 0 "[ . 1 . 2]"
1 72 ARG 5.108 0.113 19 0 "[ . 1 . 2]"
1 73 ILE 0.692 0.070 16 0 "[ . 1 . 2]"
1 74 ILE 1.329 0.079 10 0 "[ . 1 . 2]"
1 75 PRO 0.184 0.066 20 0 "[ . 1 . 2]"
1 76 HIS 1.008 0.262 18 0 "[ . 1 . 2]"
1 77 LEU 0.436 0.262 18 0 "[ . 1 . 2]"
1 78 PRO 0.430 0.097 4 0 "[ . 1 . 2]"
1 79 ALA 0.614 0.097 4 0 "[ . 1 . 2]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LYS 2.989 0.184 16 0 "[ . 1 . 2]"
1 82 TRP 4.633 0.325 12 0 "[ . 1 . 2]"
1 84 ASP 3.354 0.184 16 0 "[ . 1 . 2]"
1 85 GLY 4.498 0.350 17 0 "[ . 1 . 2]"
1 86 GLN 4.021 0.350 17 0 "[ . 1 . 2]"
1 87 ARG 17.645 0.601 7 2 "[- . + 1 . 2]"
1 88 ALA 13.744 0.601 7 2 "[- . + 1 . 2]"
1 89 ALA 5.329 0.138 17 0 "[ . 1 . 2]"
1 90 GLU 5.214 0.115 14 0 "[ . 1 . 2]"
1 91 ASN 2.785 0.192 11 0 "[ . 1 . 2]"
1 92 ARG 5.263 0.146 8 0 "[ . 1 . 2]"
1 93 GLN 6.463 0.192 11 0 "[ . 1 . 2]"
1 94 GLY 5.165 0.134 8 0 "[ . 1 . 2]"
1 95 THR 8.655 0.154 6 0 "[ . 1 . 2]"
1 96 LEU 5.846 0.146 8 0 "[ . 1 . 2]"
1 97 THR 4.504 0.092 6 0 "[ . 1 . 2]"
1 98 GLU 12.153 0.154 6 0 "[ . 1 . 2]"
1 99 TYR 14.106 0.575 7 1 "[ . + 1 . 2]"
1 100 CYS 11.326 0.424 17 0 "[ . 1 . 2]"
1 101 SER 6.253 0.134 12 0 "[ . 1 . 2]"
1 102 THR 12.077 0.268 1 0 "[ . 1 . 2]"
1 103 LEU 15.364 0.575 7 1 "[ . + 1 . 2]"
1 104 MET 10.560 0.358 15 0 "[ . 1 . 2]"
1 105 SER 19.194 0.462 1 0 "[ . 1 . 2]"
1 106 LEU 19.733 0.462 1 0 "[ . 1 . 2]"
1 107 PRO 8.237 0.245 17 0 "[ . 1 . 2]"
1 108 THR 16.071 0.281 4 0 "[ . 1 . 2]"
1 109 LYS 20.986 0.669 6 1 "[ .+ 1 . 2]"
1 110 ILE 6.547 0.213 6 0 "[ . 1 . 2]"
1 111 SER 6.939 0.124 6 0 "[ . 1 . 2]"
1 112 ARG 9.276 0.284 9 0 "[ . 1 . 2]"
1 113 CYS 6.128 0.469 20 0 "[ . 1 . 2]"
1 114 PRO 5.713 0.190 14 0 "[ . 1 . 2]"
1 115 HIS 29.723 0.425 6 0 "[ . 1 . 2]"
1 116 LEU 17.613 0.419 14 0 "[ . 1 . 2]"
1 117 LEU 22.663 0.548 4 1 "[ +. 1 . 2]"
1 118 ASP 14.065 0.548 4 1 "[ +. 1 . 2]"
1 119 PHE 20.842 0.952 12 4 "[ . -*1 +* . 2]"
1 120 PHE 25.120 0.952 12 4 "[ . **1 +- . 2]"
1 121 LYS 15.989 0.544 12 2 "[ . 1 +- . 2]"
1 122 VAL 4.807 0.344 7 0 "[ . 1 . 2]"
1 123 ARG 9.228 0.264 6 0 "[ . 1 . 2]"
1 124 PRO 2.439 0.161 18 0 "[ . 1 . 2]"
1 125 ASP 4.393 0.184 6 0 "[ . 1 . 2]"
1 126 ASP 6.597 0.184 9 0 "[ . 1 . 2]"
1 127 LEU 15.108 0.237 13 0 "[ . 1 . 2]"
1 128 LYS 4.154 0.168 4 0 "[ . 1 . 2]"
1 129 LEU 2.786 0.124 17 0 "[ . 1 . 2]"
1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 3 MET H . . 3.420 2.678 2.388 3.510 0.090 5 0 "[ . 1 . 2]" 1
2 1 3 MET H 1 3 MET ME . . 6.160 4.178 2.092 5.009 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET HA 1 4 GLY H . . 3.050 2.595 2.322 3.092 0.042 9 0 "[ . 1 . 2]" 1
4 1 3 MET QB 1 6 THR HA . . 6.380 4.522 2.533 5.188 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET ME 1 4 GLY H . . 5.850 4.488 2.590 4.796 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET QG 1 7 PHE H . . 5.330 4.718 4.484 4.843 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLY QA 1 5 ASP HA . . 4.300 3.941 3.925 3.957 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLY QA 1 6 THR H . . 5.170 4.266 4.013 4.484 . 0 0 "[ . 1 . 2]" 1
9 1 5 ASP H 1 5 ASP QB . . 3.590 3.014 2.905 3.276 . 0 0 "[ . 1 . 2]" 1
10 1 5 ASP H 1 6 THR H . . 3.300 1.997 1.828 2.109 . 0 0 "[ . 1 . 2]" 1
11 1 5 ASP H 1 6 THR HA . . 4.660 3.988 3.860 4.103 . 0 0 "[ . 1 . 2]" 1
12 1 5 ASP H 1 6 THR HB . . 3.890 3.321 3.189 3.482 . 0 0 "[ . 1 . 2]" 1
13 1 5 ASP H 1 6 THR MG . . 5.470 3.590 3.336 3.854 . 0 0 "[ . 1 . 2]" 1
14 1 5 ASP HA 1 5 ASP HB2 . . 2.900 2.690 2.628 2.792 . 0 0 "[ . 1 . 2]" 1
15 1 5 ASP HA 1 5 ASP HB3 . . 2.900 3.095 2.702 3.156 0.256 14 0 "[ . 1 . 2]" 1
16 1 5 ASP HA 1 6 THR H . . 3.550 3.512 3.466 3.564 0.014 8 0 "[ . 1 . 2]" 1
17 1 5 ASP HA 1 117 LEU QD . . 5.100 4.173 3.871 4.253 . 0 0 "[ . 1 . 2]" 1
18 1 5 ASP QB 1 6 THR H . . 4.110 2.485 2.252 3.235 . 0 0 "[ . 1 . 2]" 1
19 1 6 THR H 1 6 THR HA . . 2.710 2.225 2.198 2.255 . 0 0 "[ . 1 . 2]" 1
20 1 6 THR H 1 6 THR HB . . 2.830 2.842 2.770 2.895 0.065 4 0 "[ . 1 . 2]" 1
21 1 6 THR H 1 6 THR MG . . 4.020 3.352 3.328 3.418 . 0 0 "[ . 1 . 2]" 1
22 1 6 THR H 1 7 PHE QD . . 4.850 4.706 4.594 4.784 . 0 0 "[ . 1 . 2]" 1
23 1 6 THR H 1 117 LEU QD . . 7.510 4.481 4.217 4.655 . 0 0 "[ . 1 . 2]" 1
24 1 6 THR HA 1 6 THR MG . . 3.680 3.114 3.062 3.142 . 0 0 "[ . 1 . 2]" 1
25 1 6 THR HA 1 7 PHE H . . 3.080 2.807 2.734 2.936 . 0 0 "[ . 1 . 2]" 1
26 1 6 THR HA 1 7 PHE QD . . 5.280 2.815 2.722 2.899 . 0 0 "[ . 1 . 2]" 1
27 1 6 THR HB 1 7 PHE H . . 3.830 3.521 3.385 3.701 . 0 0 "[ . 1 . 2]" 1
28 1 6 THR HB 1 34 TRP HZ3 . . 5.500 5.126 5.045 5.202 . 0 0 "[ . 1 . 2]" 1
29 1 6 THR MG 1 7 PHE H . . 3.890 2.149 2.048 2.279 . 0 0 "[ . 1 . 2]" 1
30 1 6 THR MG 1 7 PHE QD . . 5.470 4.257 4.147 4.314 . 0 0 "[ . 1 . 2]" 1
31 1 6 THR MG 1 34 TRP HE3 . . 4.450 2.398 2.338 2.475 . 0 0 "[ . 1 . 2]" 1
32 1 6 THR MG 1 34 TRP HH2 . . 5.100 4.199 4.171 4.219 . 0 0 "[ . 1 . 2]" 1
33 1 6 THR MG 1 34 TRP HZ3 . . 5.100 2.332 2.256 2.441 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE H 1 7 PHE HB2 . . 3.610 2.813 2.732 2.872 . 0 0 "[ . 1 . 2]" 1
35 1 7 PHE H 1 7 PHE QB . . 3.410 2.747 2.674 2.801 . 0 0 "[ . 1 . 2]" 1
36 1 7 PHE H 1 7 PHE HB3 . . 3.610 3.846 3.799 3.893 0.283 3 0 "[ . 1 . 2]" 1
37 1 7 PHE H 1 7 PHE QD . . 3.420 2.888 2.807 3.022 . 0 0 "[ . 1 . 2]" 1
38 1 7 PHE H 1 8 ILE H . . 4.540 4.484 4.432 4.547 0.007 3 0 "[ . 1 . 2]" 1
39 1 7 PHE H 1 34 TRP HE3 . . 3.730 3.788 3.718 3.827 0.097 10 0 "[ . 1 . 2]" 1
40 1 7 PHE H 1 35 GLN H . . 5.250 5.018 4.731 5.260 0.010 8 0 "[ . 1 . 2]" 1
41 1 7 PHE H 1 117 LEU QD . . 5.100 3.863 3.631 4.044 . 0 0 "[ . 1 . 2]" 1
42 1 7 PHE HA 1 8 ILE H . . 3.360 2.490 2.390 2.596 . 0 0 "[ . 1 . 2]" 1
43 1 7 PHE HA 1 117 LEU QD . . 6.110 1.970 1.953 1.999 . 0 0 "[ . 1 . 2]" 1
44 1 7 PHE QB 1 35 GLN H . . 6.290 5.266 4.902 5.525 . 0 0 "[ . 1 . 2]" 1
45 1 7 PHE QB 1 35 GLN QE . . 7.240 3.481 3.150 3.788 . 0 0 "[ . 1 . 2]" 1
46 1 7 PHE QB 1 117 LEU QD . . 6.010 3.245 3.050 3.430 . 0 0 "[ . 1 . 2]" 1
47 1 7 PHE HB2 1 8 ILE H . . 3.860 3.227 3.063 3.377 . 0 0 "[ . 1 . 2]" 1
48 1 7 PHE HB3 1 8 ILE H . . 3.860 2.310 2.173 2.454 . 0 0 "[ . 1 . 2]" 1
49 1 7 PHE QD 1 8 ILE H . . 4.880 4.156 4.005 4.307 . 0 0 "[ . 1 . 2]" 1
50 1 7 PHE QD 1 117 LEU QD . . 4.760 2.568 2.194 2.936 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE H 1 8 ILE HB . . 3.300 2.483 2.384 2.545 . 0 0 "[ . 1 . 2]" 1
52 1 8 ILE H 1 8 ILE MG . . 4.450 3.717 2.911 3.802 . 0 0 "[ . 1 . 2]" 1
53 1 8 ILE H 1 35 GLN QE . . 5.810 4.639 4.418 5.229 . 0 0 "[ . 1 . 2]" 1
54 1 8 ILE H 1 117 LEU QD . . 4.450 3.091 2.712 3.263 . 0 0 "[ . 1 . 2]" 1
55 1 8 ILE HA 1 9 ARG H . . 2.710 2.304 2.258 2.402 . 0 0 "[ . 1 . 2]" 1
56 1 8 ILE HA 1 10 HIS H . . 4.450 4.485 4.395 4.515 0.065 12 0 "[ . 1 . 2]" 1
57 1 8 ILE HA 1 34 TRP HA . . 2.900 2.832 2.746 2.905 0.005 15 0 "[ . 1 . 2]" 1
58 1 8 ILE HA 1 35 GLN H . . 3.240 3.185 2.851 3.394 0.154 1 0 "[ . 1 . 2]" 1
59 1 8 ILE HA 1 36 ASP H . . 5.500 5.332 5.107 5.507 0.007 20 0 "[ . 1 . 2]" 1
60 1 8 ILE HA 1 117 LEU QD . . 6.400 4.453 3.831 4.671 . 0 0 "[ . 1 . 2]" 1
61 1 8 ILE HB 1 104 MET ME . . 5.850 4.672 4.253 4.797 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE HB 1 117 LEU QD . . 6.980 3.426 2.412 4.080 . 0 0 "[ . 1 . 2]" 1
63 1 8 ILE MD 1 9 ARG H . . 4.950 4.014 3.720 4.129 . 0 0 "[ . 1 . 2]" 1
64 1 8 ILE MD 1 11 ILE MD . . 7.560 5.013 4.682 5.125 . 0 0 "[ . 1 . 2]" 1
65 1 8 ILE MD 1 34 TRP HH2 . . 6.530 3.413 3.136 3.751 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE MD 1 34 TRP HZ3 . . 6.530 3.702 2.970 4.229 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE MD 1 116 LEU QD . . 5.850 2.284 1.905 2.825 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE MD 1 117 LEU HA . . 5.100 2.705 2.284 3.059 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE MD 1 117 LEU QD . . 5.850 3.010 2.598 3.391 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE MD 1 120 PHE H . . 6.530 4.626 4.344 4.912 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE MD 1 120 PHE QB . . 6.760 2.986 2.761 3.213 . 0 0 "[ . 1 . 2]" 1
72 1 8 ILE MD 1 120 PHE HD1 . . 6.530 5.333 5.080 5.702 . 0 0 "[ . 1 . 2]" 1
73 1 8 ILE QG 1 32 VAL MG2 . . 6.750 3.601 2.758 4.657 . 0 0 "[ . 1 . 2]" 1
74 1 8 ILE QG 1 117 LEU QD . . 6.750 2.715 2.212 3.805 . 0 0 "[ . 1 . 2]" 1
75 1 8 ILE MG 1 9 ARG H . . 4.420 2.067 1.918 2.756 . 0 0 "[ . 1 . 2]" 1
76 1 8 ILE MG 1 10 HIS H . . 3.890 2.508 2.347 2.846 . 0 0 "[ . 1 . 2]" 1
77 1 8 ILE MG 1 10 HIS HA . . 5.100 2.772 2.436 3.043 . 0 0 "[ . 1 . 2]" 1
78 1 8 ILE MG 1 11 ILE MD . . 7.560 4.289 3.049 4.628 . 0 0 "[ . 1 . 2]" 1
79 1 8 ILE MG 1 104 MET ME . . 7.560 3.511 2.895 3.980 . 0 0 "[ . 1 . 2]" 1
80 1 8 ILE MG 1 117 LEU QD . . 7.560 4.185 3.498 4.428 . 0 0 "[ . 1 . 2]" 1
81 1 9 ARG H 1 9 ARG HB2 . . 3.240 2.547 2.388 2.650 . 0 0 "[ . 1 . 2]" 1
82 1 9 ARG H 1 9 ARG QB . . 2.930 2.367 2.308 2.478 . 0 0 "[ . 1 . 2]" 1
83 1 9 ARG H 1 9 ARG HB3 . . 3.240 2.858 2.694 3.601 0.361 13 0 "[ . 1 . 2]" 1
84 1 9 ARG H 1 10 HIS H . . 2.710 2.298 2.222 2.359 . 0 0 "[ . 1 . 2]" 1
85 1 9 ARG H 1 34 TRP HA . . 3.360 2.803 2.587 3.021 . 0 0 "[ . 1 . 2]" 1
86 1 9 ARG H 1 35 GLN H . . 4.660 3.678 3.330 3.944 . 0 0 "[ . 1 . 2]" 1
87 1 9 ARG HA 1 9 ARG QB . . 2.760 2.576 2.515 2.626 . 0 0 "[ . 1 . 2]" 1
88 1 9 ARG HA 1 10 HIS H . . 3.520 3.595 3.584 3.615 0.095 13 0 "[ . 1 . 2]" 1
89 1 9 ARG HB2 1 10 HIS H . . 3.050 3.294 2.246 3.449 0.399 17 0 "[ . 1 . 2]" 1
90 1 9 ARG HB3 1 10 HIS H . . 3.050 2.261 2.121 3.129 0.079 13 0 "[ . 1 . 2]" 1
91 1 10 HIS H 1 10 HIS HB2 . . 3.980 4.072 4.047 4.087 0.107 6 0 "[ . 1 . 2]" 1
92 1 10 HIS H 1 10 HIS HB3 . . 3.420 3.300 3.216 3.367 . 0 0 "[ . 1 . 2]" 1
93 1 10 HIS H 1 33 LYS H . . 3.610 3.472 3.269 3.648 0.038 13 0 "[ . 1 . 2]" 1
94 1 10 HIS H 1 33 LYS QB . . 4.920 2.940 2.316 3.554 . 0 0 "[ . 1 . 2]" 1
95 1 10 HIS H 1 34 TRP HA . . 4.290 4.316 4.253 4.357 0.067 9 0 "[ . 1 . 2]" 1
96 1 10 HIS HA 1 10 HIS HD2 . . 4.850 4.610 4.317 4.866 0.016 17 0 "[ . 1 . 2]" 1
97 1 10 HIS HA 1 11 ILE H . . 2.550 2.551 2.510 2.614 0.064 3 0 "[ . 1 . 2]" 1
98 1 10 HIS HA 1 116 LEU QD . . 5.100 4.265 4.209 4.294 . 0 0 "[ . 1 . 2]" 1
99 1 10 HIS HB2 1 11 ILE H . . 3.610 2.422 2.348 2.523 . 0 0 "[ . 1 . 2]" 1
100 1 10 HIS HB3 1 11 ILE H . . 3.760 3.752 3.693 3.779 0.019 11 0 "[ . 1 . 2]" 1
101 1 10 HIS HD2 1 12 ALA MB . . 5.100 4.021 3.966 4.067 . 0 0 "[ . 1 . 2]" 1
102 1 10 HIS HE1 1 12 ALA MB . . 4.170 3.209 3.117 3.310 . 0 0 "[ . 1 . 2]" 1
103 1 10 HIS O 1 33 LYS H . . 2.000 2.074 2.024 2.124 0.124 19 0 "[ . 1 . 2]" 1
104 1 10 HIS O 1 33 LYS N . . 3.000 3.042 2.963 3.098 0.098 2 0 "[ . 1 . 2]" 1
105 1 11 ILE H 1 11 ILE HB . . 3.050 2.888 2.798 2.983 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE H 1 11 ILE QG . . 4.610 2.347 2.169 3.219 . 0 0 "[ . 1 . 2]" 1
107 1 11 ILE HA 1 12 ALA H . . 2.710 2.356 2.320 2.386 . 0 0 "[ . 1 . 2]" 1
108 1 11 ILE HA 1 32 VAL HA . . 5.500 2.785 2.736 2.843 . 0 0 "[ . 1 . 2]" 1
109 1 11 ILE HA 1 33 LYS H . . 3.420 3.298 3.085 3.443 0.023 5 0 "[ . 1 . 2]" 1
110 1 11 ILE HB 1 12 ALA H . . 3.610 3.596 3.484 3.645 0.035 11 0 "[ . 1 . 2]" 1
111 1 11 ILE MD 1 32 VAL MG2 . . 7.560 5.028 4.708 5.101 . 0 0 "[ . 1 . 2]" 1
112 1 11 ILE MD 1 103 LEU MD1 . . 7.560 3.227 2.712 4.597 . 0 0 "[ . 1 . 2]" 1
113 1 11 ILE MD 1 104 MET ME . . 7.560 2.565 2.036 3.667 . 0 0 "[ . 1 . 2]" 1
114 1 11 ILE MD 1 116 LEU QD . . 7.430 2.215 2.020 2.480 . 0 0 "[ . 1 . 2]" 1
115 1 11 ILE QG 1 12 ALA H . . 5.330 4.465 4.382 4.528 . 0 0 "[ . 1 . 2]" 1
116 1 11 ILE MG 1 12 ALA H . . 4.390 2.120 2.029 2.194 . 0 0 "[ . 1 . 2]" 1
117 1 11 ILE MG 1 30 PHE HA . . 5.880 4.519 4.097 4.769 . 0 0 "[ . 1 . 2]" 1
118 1 11 ILE MG 1 30 PHE QD . . 5.350 2.748 2.113 3.306 . 0 0 "[ . 1 . 2]" 1
119 1 11 ILE MG 1 31 LEU H . . 5.470 3.530 3.316 3.759 . 0 0 "[ . 1 . 2]" 1
120 1 11 ILE MG 1 32 VAL HA . . 6.530 2.972 2.717 3.191 . 0 0 "[ . 1 . 2]" 1
121 1 11 ILE MG 1 32 VAL MG1 . . 6.560 4.396 4.368 4.425 . 0 0 "[ . 1 . 2]" 1
122 1 11 ILE MG 1 100 CYS QB . . 6.350 4.206 3.755 4.562 . 0 0 "[ . 1 . 2]" 1
123 1 12 ALA H 1 13 LEU HB2 . . 5.500 4.775 4.667 4.981 . 0 0 "[ . 1 . 2]" 1
124 1 12 ALA H 1 31 LEU H . . 3.420 3.421 3.312 3.465 0.045 20 0 "[ . 1 . 2]" 1
125 1 12 ALA H 1 31 LEU QD . . 6.950 4.715 4.547 4.930 . 0 0 "[ . 1 . 2]" 1
126 1 12 ALA H 1 31 LEU O . . 2.000 1.972 1.909 2.041 0.041 1 0 "[ . 1 . 2]" 1
127 1 12 ALA H 1 32 VAL HA . . 3.610 3.655 3.587 3.705 0.095 7 0 "[ . 1 . 2]" 1
128 1 12 ALA HA 1 13 LEU H . . 2.550 2.478 2.314 2.592 0.042 12 0 "[ . 1 . 2]" 1
129 1 12 ALA MB 1 13 LEU H . . 3.920 2.821 2.458 3.336 . 0 0 "[ . 1 . 2]" 1
130 1 12 ALA MB 1 14 LEU MD1 . . 5.850 3.918 3.865 3.944 . 0 0 "[ . 1 . 2]" 1
131 1 12 ALA MB 1 31 LEU QB . . 5.050 2.246 2.079 2.497 . 0 0 "[ . 1 . 2]" 1
132 1 12 ALA N 1 31 LEU O . . 3.000 2.949 2.904 2.995 . 0 0 "[ . 1 . 2]" 1
133 1 12 ALA O 1 31 LEU H . . 2.000 1.975 1.880 2.040 0.040 3 0 "[ . 1 . 2]" 1
134 1 12 ALA O 1 31 LEU N . . 3.000 2.899 2.806 2.968 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU H 1 13 LEU HB2 . . 3.050 2.810 2.471 3.024 . 0 0 "[ . 1 . 2]" 1
136 1 13 LEU H 1 13 LEU HB3 . . 3.360 2.769 2.507 2.942 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU H 1 13 LEU MD1 . . 5.470 4.395 4.118 4.538 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU H 1 31 LEU H . . 4.660 4.629 4.528 4.713 0.053 19 0 "[ . 1 . 2]" 1
139 1 13 LEU HA 1 13 LEU MD2 . . 4.450 3.244 2.998 3.540 . 0 0 "[ . 1 . 2]" 1
140 1 13 LEU HA 1 13 LEU HG . . 4.070 2.766 2.706 2.837 . 0 0 "[ . 1 . 2]" 1
141 1 13 LEU HA 1 14 LEU H . . 2.860 2.250 2.165 2.403 . 0 0 "[ . 1 . 2]" 1
142 1 13 LEU HA 1 15 GLY H . . 4.630 4.279 4.213 4.388 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU HA 1 30 PHE HA . . 3.420 2.726 2.548 2.840 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU HA 1 30 PHE QD . . 4.850 4.251 3.155 4.753 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU HA 1 31 LEU H . . 3.270 2.455 2.346 2.584 . 0 0 "[ . 1 . 2]" 1
146 1 13 LEU HB2 1 14 LEU H . . 4.450 4.187 4.150 4.242 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU HB2 1 31 LEU H . . 5.500 4.390 4.062 4.848 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU HB3 1 14 LEU H . . 3.640 3.973 3.888 4.078 0.438 20 0 "[ . 1 . 2]" 1
149 1 13 LEU HB3 1 15 GLY H . . 5.500 4.895 4.799 4.982 . 0 0 "[ . 1 . 2]" 1
150 1 13 LEU MD1 1 28 TYR QD . . 5.470 4.088 3.581 4.218 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU MD1 1 30 PHE QD . . 4.760 3.011 2.416 3.874 . 0 0 "[ . 1 . 2]" 1
152 1 13 LEU MD1 1 96 LEU MD2 . . 6.190 2.273 1.791 3.217 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU MD1 1 97 THR HA . . 4.760 3.569 3.334 3.837 . 0 0 "[ . 1 . 2]" 1
154 1 13 LEU MD1 1 97 THR MG . . 7.430 4.998 4.823 5.107 . 0 0 "[ . 1 . 2]" 1
155 1 13 LEU MD2 1 14 LEU H . . 4.510 2.455 2.026 3.021 . 0 0 "[ . 1 . 2]" 1
156 1 13 LEU MD2 1 15 GLY H . . 4.450 2.094 1.941 2.511 . 0 0 "[ . 1 . 2]" 1
157 1 13 LEU MD2 1 28 TYR HB2 . . 4.450 2.348 2.143 2.776 . 0 0 "[ . 1 . 2]" 1
158 1 13 LEU MD2 1 28 TYR HB3 . . 6.530 2.960 2.367 3.511 . 0 0 "[ . 1 . 2]" 1
159 1 13 LEU MD2 1 28 TYR QD . . 4.390 3.763 3.568 3.902 . 0 0 "[ . 1 . 2]" 1
160 1 13 LEU MD2 1 29 MET H . . 4.760 3.650 3.482 3.816 . 0 0 "[ . 1 . 2]" 1
161 1 13 LEU MD2 1 30 PHE HA . . 5.470 3.426 3.031 4.011 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU MD2 1 96 LEU MD2 . . 6.070 3.299 2.667 4.048 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU HG 1 28 TYR QD . . 5.500 5.042 4.211 5.300 . 0 0 "[ . 1 . 2]" 1
164 1 14 LEU H 1 14 LEU HB2 . . 2.900 2.345 2.292 2.424 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU H 1 14 LEU HB3 . . 3.330 3.073 3.008 3.171 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU H 1 15 GLY H . . 2.860 2.236 2.147 2.290 . 0 0 "[ . 1 . 2]" 1
167 1 14 LEU H 1 29 MET O . . 2.000 2.094 2.053 2.138 0.138 12 0 "[ . 1 . 2]" 1
168 1 14 LEU H 1 30 PHE HA . . 3.610 2.900 2.515 3.236 . 0 0 "[ . 1 . 2]" 1
169 1 14 LEU H 1 31 LEU H . . 3.610 3.586 3.236 3.715 0.105 12 0 "[ . 1 . 2]" 1
170 1 14 LEU H 1 31 LEU MD2 . . 4.980 3.220 2.591 3.555 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU HA 1 14 LEU HB2 . . 2.900 2.933 2.900 2.967 0.067 10 0 "[ . 1 . 2]" 1
172 1 14 LEU HA 1 14 LEU HB3 . . 2.900 3.018 2.986 3.040 0.140 3 0 "[ . 1 . 2]" 1
173 1 14 LEU HA 1 14 LEU MD1 . . 3.920 2.246 2.158 2.340 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU HA 1 14 LEU MD2 . . 4.760 3.771 3.740 3.796 . 0 0 "[ . 1 . 2]" 1
175 1 14 LEU HB2 1 14 LEU MD1 . . 3.460 2.431 2.363 2.506 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU HB2 1 15 GLY H . . 3.050 3.150 3.101 3.213 0.163 3 0 "[ . 1 . 2]" 1
177 1 14 LEU HB3 1 15 GLY H . . 3.170 2.554 2.431 2.665 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU HB3 1 30 PHE H . . 5.500 5.563 5.535 5.606 0.106 11 0 "[ . 1 . 2]" 1
179 1 14 LEU MD1 1 31 LEU H . . 6.500 4.494 4.111 4.855 . 0 0 "[ . 1 . 2]" 1
180 1 14 LEU N 1 29 MET O . . 3.000 3.015 2.979 3.045 0.045 5 0 "[ . 1 . 2]" 1
181 1 15 GLY H 1 16 PHE H . . 4.350 4.120 3.959 4.337 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLY H 1 29 MET H . . 4.200 3.322 3.184 3.474 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLY H 1 29 MET HB2 . . 4.850 4.354 4.098 4.647 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLY H 1 29 MET HB3 . . 3.480 2.707 2.411 3.071 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLY H 1 29 MET ME . . 6.530 5.381 5.321 5.442 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLY H 1 31 LEU MD2 . . 5.750 4.567 4.146 4.678 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLY QA 1 16 PHE H . . 2.780 2.089 2.048 2.145 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLY HA2 1 16 PHE H . . 2.990 3.282 3.092 3.402 0.412 19 0 "[ . 1 . 2]" 1
189 1 15 GLY HA3 1 16 PHE H . . 2.990 2.113 2.071 2.183 . 0 0 "[ . 1 . 2]" 1
190 1 16 PHE H 1 16 PHE HB2 . . 3.830 2.606 2.064 3.601 . 0 0 "[ . 1 . 2]" 1
191 1 16 PHE H 1 16 PHE QB . . 3.520 2.419 2.029 2.748 . 0 0 "[ . 1 . 2]" 1
192 1 16 PHE H 1 16 PHE HB3 . . 3.830 3.290 2.514 3.592 . 0 0 "[ . 1 . 2]" 1
193 1 16 PHE H 1 16 PHE HD1 . . 4.070 4.106 2.119 5.003 0.933 4 3 "[ +* - 1 . 2]" 1
194 1 16 PHE H 1 28 TYR HA . . 5.040 4.808 4.652 4.919 . 0 0 "[ . 1 . 2]" 1
195 1 16 PHE HA 1 16 PHE HD1 . . 4.450 2.806 2.148 4.319 . 0 0 "[ . 1 . 2]" 1
196 1 16 PHE HA 1 17 GLU H . . 3.080 2.651 2.499 3.084 0.004 7 0 "[ . 1 . 2]" 1
197 1 16 PHE HA 1 28 TYR HA . . 3.420 2.668 2.575 2.735 . 0 0 "[ . 1 . 2]" 1
198 1 16 PHE HA 1 29 MET H . . 3.210 3.342 3.285 3.395 0.185 6 0 "[ . 1 . 2]" 1
199 1 16 PHE QB 1 17 GLU H . . 3.020 2.160 2.028 2.549 . 0 0 "[ . 1 . 2]" 1
200 1 16 PHE QB 1 28 TYR HA . . 5.670 4.435 4.235 4.613 . 0 0 "[ . 1 . 2]" 1
201 1 16 PHE HB2 1 16 PHE HD1 . . 3.730 3.760 2.926 3.931 0.201 16 0 "[ . 1 . 2]" 1
202 1 16 PHE HB2 1 17 GLU H . . 3.240 3.067 2.043 3.709 0.469 3 0 "[ . 1 . 2]" 1
203 1 16 PHE HB3 1 16 PHE HD1 . . 3.730 3.146 2.729 3.971 0.241 14 0 "[ . 1 . 2]" 1
204 1 16 PHE HB3 1 17 GLU H . . 3.240 2.407 2.055 3.568 0.328 12 0 "[ . 1 . 2]" 1
205 1 16 PHE O 1 29 MET H . . 2.000 2.295 2.229 2.366 0.366 11 0 "[ . 1 . 2]" 1
206 1 16 PHE O 1 29 MET N . . 3.000 3.056 2.985 3.101 0.101 8 0 "[ . 1 . 2]" 1
207 1 17 GLU H 1 17 GLU QB . . 3.650 3.038 2.915 3.142 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLU H 1 27 VAL H . . 3.860 3.657 3.320 3.941 0.081 7 0 "[ . 1 . 2]" 1
209 1 17 GLU H 1 28 TYR HA . . 3.550 3.626 3.496 3.716 0.166 14 0 "[ . 1 . 2]" 1
210 1 17 GLU HA 1 18 LYS H . . 2.430 2.503 2.363 2.696 0.266 8 0 "[ . 1 . 2]" 1
211 1 17 GLU QB 1 18 LYS H . . 4.300 3.024 2.206 3.476 . 0 0 "[ . 1 . 2]" 1
212 1 17 GLU QB 1 29 MET H . . 5.320 2.884 2.556 3.174 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLU QG 1 18 LYS H . . 5.480 2.917 2.043 3.572 . 0 0 "[ . 1 . 2]" 1
214 1 18 LYS H 1 18 LYS QB . . 3.740 2.957 2.608 3.206 . 0 0 "[ . 1 . 2]" 1
215 1 18 LYS H 1 19 ARG H . . 3.890 3.947 3.895 4.067 0.177 8 0 "[ . 1 . 2]" 1
216 1 18 LYS H 1 26 TYR QD . . 5.500 5.255 4.973 5.360 . 0 0 "[ . 1 . 2]" 1
217 1 18 LYS HA 1 19 ARG H . . 2.430 2.318 2.178 2.360 . 0 0 "[ . 1 . 2]" 1
218 1 18 LYS HA 1 26 TYR HA . . 3.240 2.966 2.850 3.037 . 0 0 "[ . 1 . 2]" 1
219 1 18 LYS HA 1 26 TYR QD . . 4.450 3.174 2.878 3.355 . 0 0 "[ . 1 . 2]" 1
220 1 18 LYS HA 1 26 TYR HE1 . . 4.450 3.816 3.525 4.266 . 0 0 "[ . 1 . 2]" 1
221 1 18 LYS HA 1 27 VAL H . . 3.390 3.449 3.394 3.508 0.118 14 0 "[ . 1 . 2]" 1
222 1 18 LYS QB 1 19 ARG H . . 4.110 3.639 3.099 3.743 . 0 0 "[ . 1 . 2]" 1
223 1 18 LYS QB 1 20 PHE H . . 5.540 4.550 4.413 4.661 . 0 0 "[ . 1 . 2]" 1
224 1 18 LYS QB 1 20 PHE QD . . 5.730 3.558 3.120 3.797 . 0 0 "[ . 1 . 2]" 1
225 1 18 LYS QB 1 26 TYR QD . . 5.730 3.652 3.388 3.840 . 0 0 "[ . 1 . 2]" 1
226 1 18 LYS QB 1 26 TYR HE1 . . 4.950 3.185 2.830 3.637 . 0 0 "[ . 1 . 2]" 1
227 1 18 LYS QG 1 19 ARG H . . 5.600 4.671 4.173 5.004 . 0 0 "[ . 1 . 2]" 1
228 1 18 LYS QG 1 20 PHE QD . . 6.380 4.760 4.083 5.292 . 0 0 "[ . 1 . 2]" 1
229 1 18 LYS QG 1 26 TYR QD . . 6.380 4.442 3.153 5.386 . 0 0 "[ . 1 . 2]" 1
230 1 18 LYS QG 1 26 TYR HE1 . . 6.160 4.711 3.452 5.414 . 0 0 "[ . 1 . 2]" 1
231 1 19 ARG H 1 19 ARG HA . . 2.860 2.966 2.935 2.983 0.123 18 0 "[ . 1 . 2]" 1
232 1 19 ARG H 1 19 ARG QB . . 3.570 2.460 2.330 2.704 . 0 0 "[ . 1 . 2]" 1
233 1 19 ARG H 1 20 PHE H . . 4.070 3.994 3.578 4.097 0.027 6 0 "[ . 1 . 2]" 1
234 1 19 ARG H 1 26 TYR HA . . 3.110 2.511 2.399 2.745 . 0 0 "[ . 1 . 2]" 1
235 1 19 ARG H 1 27 VAL H . . 4.070 3.397 3.081 4.049 . 0 0 "[ . 1 . 2]" 1
236 1 19 ARG HA 1 20 PHE H . . 2.740 2.201 2.183 2.251 . 0 0 "[ . 1 . 2]" 1
237 1 19 ARG HA 1 20 PHE QD . . 4.070 3.686 3.504 3.838 . 0 0 "[ . 1 . 2]" 1
238 1 19 ARG HA 1 21 VAL H . . 3.170 3.323 3.296 3.345 0.175 7 0 "[ . 1 . 2]" 1
239 1 19 ARG HA 1 25 HIS HE1 . . 5.500 4.932 4.383 5.504 0.004 3 0 "[ . 1 . 2]" 1
240 1 19 ARG QB 1 21 VAL H . . 4.430 3.524 3.197 3.897 . 0 0 "[ . 1 . 2]" 1
241 1 19 ARG QB 1 25 HIS HE1 . . 4.300 2.673 2.392 3.094 . 0 0 "[ . 1 . 2]" 1
242 1 20 PHE H 1 20 PHE HB2 . . 3.240 2.582 2.515 2.804 . 0 0 "[ . 1 . 2]" 1
243 1 20 PHE H 1 20 PHE HB3 . . 3.390 3.469 3.459 3.478 0.088 7 0 "[ . 1 . 2]" 1
244 1 20 PHE H 1 21 VAL H . . 2.550 2.404 2.349 2.480 . 0 0 "[ . 1 . 2]" 1
245 1 20 PHE H 1 21 VAL MG1 . . 5.470 4.303 4.190 4.411 . 0 0 "[ . 1 . 2]" 1
246 1 20 PHE HA 1 20 PHE HB2 . . 3.050 3.096 3.073 3.104 0.054 3 0 "[ . 1 . 2]" 1
247 1 20 PHE HA 1 20 PHE HB3 . . 3.050 2.657 2.614 2.671 . 0 0 "[ . 1 . 2]" 1
248 1 20 PHE HA 1 20 PHE QD . . 4.070 3.320 3.153 3.576 . 0 0 "[ . 1 . 2]" 1
249 1 20 PHE HA 1 21 VAL H . . 3.330 3.395 3.340 3.429 0.099 7 0 "[ . 1 . 2]" 1
250 1 20 PHE HA 1 21 VAL MG1 . . 6.530 4.571 4.423 4.798 . 0 0 "[ . 1 . 2]" 1
251 1 20 PHE HA 1 24 GLN HA . . 2.710 2.950 2.896 3.003 0.293 14 0 "[ . 1 . 2]" 1
252 1 20 PHE HA 1 25 HIS H . . 2.860 3.016 2.963 3.097 0.237 9 0 "[ . 1 . 2]" 1
253 1 20 PHE HB2 1 20 PHE QD . . 3.420 2.601 2.575 2.629 . 0 0 "[ . 1 . 2]" 1
254 1 20 PHE HB2 1 21 VAL H . . 3.580 3.112 3.012 3.229 . 0 0 "[ . 1 . 2]" 1
255 1 20 PHE HB2 1 21 VAL MG1 . . 6.530 2.659 2.349 2.933 . 0 0 "[ . 1 . 2]" 1
256 1 20 PHE HB3 1 21 VAL H . . 4.290 4.300 4.233 4.356 0.066 14 0 "[ . 1 . 2]" 1
257 1 20 PHE HB3 1 21 VAL MG1 . . 6.530 3.687 3.478 3.976 . 0 0 "[ . 1 . 2]" 1
258 1 20 PHE QD 1 21 VAL MG1 . . 6.530 4.163 3.661 4.378 . 0 0 "[ . 1 . 2]" 1
259 1 20 PHE QD 1 21 VAL QG . . 6.970 2.705 2.320 2.884 . 0 0 "[ . 1 . 2]" 1
260 1 20 PHE QD 1 21 VAL MG2 . . 5.100 2.741 2.346 2.926 . 0 0 "[ . 1 . 2]" 1
261 1 21 VAL H 1 21 VAL HB . . 3.360 3.457 3.383 3.534 0.174 7 0 "[ . 1 . 2]" 1
262 1 21 VAL H 1 21 VAL MG1 . . 3.890 3.247 3.168 3.304 . 0 0 "[ . 1 . 2]" 1
263 1 21 VAL H 1 22 PRO HA . . 4.630 4.721 4.697 4.761 0.131 7 0 "[ . 1 . 2]" 1
264 1 21 VAL H 1 25 HIS H . . 5.500 5.184 4.994 5.426 . 0 0 "[ . 1 . 2]" 1
265 1 21 VAL H 1 25 HIS HE1 . . 4.070 3.789 3.516 4.065 . 0 0 "[ . 1 . 2]" 1
266 1 21 VAL HA 1 22 PRO HA . . 2.710 2.622 2.528 2.694 . 0 0 "[ . 1 . 2]" 1
267 1 21 VAL HA 1 23 SER H . . 2.650 2.649 2.515 2.714 0.064 4 0 "[ . 1 . 2]" 1
268 1 21 VAL HB 1 22 PRO HA . . 3.050 2.502 2.460 2.591 . 0 0 "[ . 1 . 2]" 1
269 1 21 VAL QG 1 22 PRO HA . . 7.620 2.694 2.323 2.982 . 0 0 "[ . 1 . 2]" 1
270 1 21 VAL QG 1 22 PRO QB . . 7.850 3.989 3.748 4.169 . 0 0 "[ . 1 . 2]" 1
271 1 21 VAL QG 1 23 SER H . . 6.570 4.048 3.894 4.149 . 0 0 "[ . 1 . 2]" 1
272 1 21 VAL MG1 1 22 PRO HA . . 6.530 2.755 2.340 3.114 . 0 0 "[ . 1 . 2]" 1
273 1 21 VAL MG2 1 22 PRO HA . . 4.390 3.885 3.812 3.937 . 0 0 "[ . 1 . 2]" 1
274 1 22 PRO HA 1 23 SER H . . 3.170 3.313 3.277 3.332 0.162 4 0 "[ . 1 . 2]" 1
275 1 22 PRO QB 1 23 SER H . . 4.300 3.744 3.640 3.881 . 0 0 "[ . 1 . 2]" 1
276 1 22 PRO HD2 1 23 SER H . . 2.430 2.661 2.617 2.699 0.269 20 0 "[ . 1 . 2]" 1
277 1 22 PRO HD2 1 25 HIS HE1 . . 4.010 2.977 2.930 3.023 . 0 0 "[ . 1 . 2]" 1
278 1 22 PRO HD3 1 25 HIS HE1 . . 5.280 4.149 3.848 4.322 . 0 0 "[ . 1 . 2]" 1
279 1 22 PRO QG 1 23 SER H . . 4.300 3.069 2.890 3.394 . 0 0 "[ . 1 . 2]" 1
280 1 23 SER H 1 23 SER HA . . 2.740 2.907 2.869 2.928 0.188 4 0 "[ . 1 . 2]" 1
281 1 23 SER H 1 24 GLN H . . 4.660 4.437 4.359 4.489 . 0 0 "[ . 1 . 2]" 1
282 1 23 SER H 1 25 HIS HE1 . . 3.730 3.159 2.787 3.509 . 0 0 "[ . 1 . 2]" 1
283 1 23 SER HA 1 23 SER QB . . 2.620 2.543 2.504 2.560 . 0 0 "[ . 1 . 2]" 1
284 1 23 SER HA 1 24 GLN H . . 2.710 2.544 2.495 2.627 . 0 0 "[ . 1 . 2]" 1
285 1 23 SER QB 1 24 GLN H . . 3.930 2.813 2.473 3.423 . 0 0 "[ . 1 . 2]" 1
286 1 23 SER QB 1 25 HIS HE1 . . 6.380 4.246 3.984 4.510 . 0 0 "[ . 1 . 2]" 1
287 1 24 GLN H 1 24 GLN HB2 . . 3.420 2.634 2.545 2.747 . 0 0 "[ . 1 . 2]" 1
288 1 24 GLN H 1 24 GLN HB3 . . 3.360 3.506 3.498 3.514 0.154 10 0 "[ . 1 . 2]" 1
289 1 24 GLN H 1 24 GLN HG2 . . 4.070 2.149 2.022 2.256 . 0 0 "[ . 1 . 2]" 1
290 1 24 GLN H 1 24 GLN QG . . 3.670 2.132 2.009 2.236 . 0 0 "[ . 1 . 2]" 1
291 1 24 GLN H 1 24 GLN HG3 . . 4.070 3.591 3.492 3.668 . 0 0 "[ . 1 . 2]" 1
292 1 24 GLN H 1 25 HIS H . . 4.600 4.512 4.458 4.569 . 0 0 "[ . 1 . 2]" 1
293 1 24 GLN HA 1 24 GLN HB2 . . 2.900 2.987 2.983 2.991 0.091 15 0 "[ . 1 . 2]" 1
294 1 24 GLN HA 1 24 GLN HE21 . . 4.140 3.284 2.916 3.478 . 0 0 "[ . 1 . 2]" 1
295 1 24 GLN HA 1 24 GLN HE22 . . 4.140 3.372 3.275 3.453 . 0 0 "[ . 1 . 2]" 1
296 1 24 GLN HA 1 24 GLN HG2 . . 4.070 3.475 3.448 3.502 . 0 0 "[ . 1 . 2]" 1
297 1 24 GLN HA 1 24 GLN QG . . 3.530 3.227 3.217 3.246 . 0 0 "[ . 1 . 2]" 1
298 1 24 GLN HA 1 24 GLN HG3 . . 4.070 3.829 3.809 3.865 . 0 0 "[ . 1 . 2]" 1
299 1 24 GLN HA 1 25 HIS H . . 2.620 2.394 2.348 2.423 . 0 0 "[ . 1 . 2]" 1
300 1 24 GLN HB2 1 24 GLN HG2 . . 2.650 2.676 2.654 2.719 0.069 5 0 "[ . 1 . 2]" 1
301 1 24 GLN HB2 1 24 GLN QG . . 2.370 2.419 2.412 2.428 0.058 9 0 "[ . 1 . 2]" 1
302 1 24 GLN HB2 1 24 GLN HG3 . . 2.650 2.760 2.725 2.778 0.128 10 0 "[ . 1 . 2]" 1
303 1 24 GLN HB2 1 25 HIS H . . 4.200 4.295 4.271 4.310 0.110 7 0 "[ . 1 . 2]" 1
304 1 24 GLN HB3 1 24 GLN HG2 . . 2.900 3.167 3.165 3.172 0.272 20 0 "[ . 1 . 2]" 1
305 1 24 GLN HB3 1 24 GLN QG . . 2.510 2.498 2.489 2.517 0.007 5 0 "[ . 1 . 2]" 1
306 1 24 GLN HB3 1 24 GLN HG3 . . 2.900 2.615 2.603 2.641 . 0 0 "[ . 1 . 2]" 1
307 1 24 GLN HB3 1 25 HIS H . . 3.700 3.707 3.676 3.723 0.023 20 0 "[ . 1 . 2]" 1
308 1 24 GLN QG 1 25 HIS H . . 6.350 5.176 5.145 5.199 . 0 0 "[ . 1 . 2]" 1
309 1 25 HIS H 1 25 HIS HA . . 2.930 2.817 2.745 2.847 . 0 0 "[ . 1 . 2]" 1
310 1 25 HIS H 1 25 HIS HB2 . . 3.980 3.695 3.661 3.786 . 0 0 "[ . 1 . 2]" 1
311 1 25 HIS H 1 25 HIS HB3 . . 3.360 3.735 3.467 3.817 0.457 9 0 "[ . 1 . 2]" 1
312 1 25 HIS HA 1 25 HIS HB3 . . 2.900 2.425 2.386 2.656 . 0 0 "[ . 1 . 2]" 1
313 1 25 HIS HA 1 25 HIS HD2 . . 5.280 4.948 4.834 5.074 . 0 0 "[ . 1 . 2]" 1
314 1 25 HIS HA 1 26 TYR H . . 2.860 2.449 2.381 2.629 . 0 0 "[ . 1 . 2]" 1
315 1 26 TYR H 1 26 TYR QB . . 3.630 2.280 2.234 2.332 . 0 0 "[ . 1 . 2]" 1
316 1 26 TYR H 1 26 TYR QD . . 3.730 3.060 2.686 3.470 . 0 0 "[ . 1 . 2]" 1
317 1 26 TYR HA 1 26 TYR QD . . 4.070 2.523 2.283 2.770 . 0 0 "[ . 1 . 2]" 1
318 1 26 TYR HA 1 26 TYR HE1 . . 4.850 4.596 4.484 4.758 . 0 0 "[ . 1 . 2]" 1
319 1 26 TYR HA 1 27 VAL H . . 2.710 2.375 2.326 2.464 . 0 0 "[ . 1 . 2]" 1
320 1 26 TYR QB 1 27 VAL H . . 3.210 2.549 2.385 2.610 . 0 0 "[ . 1 . 2]" 1
321 1 26 TYR QD 1 27 VAL H . . 4.070 4.085 3.916 4.144 0.074 9 0 "[ . 1 . 2]" 1
322 1 27 VAL H 1 27 VAL HB . . 3.890 3.854 3.795 3.921 0.031 9 0 "[ . 1 . 2]" 1
323 1 27 VAL HA 1 28 TYR H . . 2.550 2.650 2.539 2.700 0.150 3 0 "[ . 1 . 2]" 1
324 1 27 VAL HA 1 45 ARG HA . . 3.240 3.026 2.961 3.146 . 0 0 "[ . 1 . 2]" 1
325 1 27 VAL HB 1 28 TYR H . . 3.240 2.610 2.460 2.899 . 0 0 "[ . 1 . 2]" 1
326 1 27 VAL HB 1 44 ARG H . . 3.730 3.745 3.520 3.834 0.104 13 0 "[ . 1 . 2]" 1
327 1 27 VAL HB 1 45 ARG H . . 5.470 4.292 3.887 4.811 . 0 0 "[ . 1 . 2]" 1
328 1 27 VAL HB 1 46 PHE H . . 5.500 4.792 4.348 5.509 0.009 8 0 "[ . 1 . 2]" 1
329 1 27 VAL QG 1 28 TYR H . . 5.330 2.913 2.543 3.290 . 0 0 "[ . 1 . 2]" 1
330 1 27 VAL QG 1 44 ARG H . . 6.790 3.240 2.653 3.749 . 0 0 "[ . 1 . 2]" 1
331 1 27 VAL QG 1 45 ARG H . . 8.060 4.347 3.876 4.772 . 0 0 "[ . 1 . 2]" 1
332 1 27 VAL QG 1 45 ARG HA . . 5.270 3.036 2.500 3.699 . 0 0 "[ . 1 . 2]" 1
333 1 27 VAL MG1 1 28 TYR H . . 5.970 4.047 3.981 4.165 . 0 0 "[ . 1 . 2]" 1
334 1 27 VAL MG1 1 45 ARG HA . . 5.630 3.113 2.534 3.847 . 0 0 "[ . 1 . 2]" 1
335 1 27 VAL MG2 1 28 TYR H . . 5.970 2.995 2.570 3.462 . 0 0 "[ . 1 . 2]" 1
336 1 27 VAL MG2 1 45 ARG HA . . 5.630 4.271 3.833 4.928 . 0 0 "[ . 1 . 2]" 1
337 1 28 TYR H 1 28 TYR HB2 . . 3.360 3.387 3.121 3.491 0.131 7 0 "[ . 1 . 2]" 1
338 1 28 TYR H 1 28 TYR HB3 . . 3.300 3.486 3.427 3.554 0.254 15 0 "[ . 1 . 2]" 1
339 1 28 TYR H 1 28 TYR QD . . 4.720 2.437 1.962 3.016 . 0 0 "[ . 1 . 2]" 1
340 1 28 TYR H 1 28 TYR QE . . 5.500 3.857 3.665 4.063 . 0 0 "[ . 1 . 2]" 1
341 1 28 TYR H 1 29 MET H . . 4.350 4.436 4.401 4.454 0.104 19 0 "[ . 1 . 2]" 1
342 1 28 TYR H 1 44 ARG H . . 3.240 3.245 3.083 3.305 0.065 17 0 "[ . 1 . 2]" 1
343 1 28 TYR H 1 44 ARG O . . 2.000 1.923 1.819 2.036 0.036 12 0 "[ . 1 . 2]" 1
344 1 28 TYR H 1 45 ARG HA . . 3.420 3.357 3.121 3.521 0.101 3 0 "[ . 1 . 2]" 1
345 1 28 TYR HA 1 28 TYR QD . . 4.570 3.578 3.215 3.745 . 0 0 "[ . 1 . 2]" 1
346 1 28 TYR HA 1 29 MET H . . 2.710 2.184 2.119 2.249 . 0 0 "[ . 1 . 2]" 1
347 1 28 TYR HB2 1 29 MET H . . 3.450 3.306 2.759 3.567 0.117 11 0 "[ . 1 . 2]" 1
348 1 28 TYR HB3 1 29 MET H . . 3.980 3.438 3.251 3.661 . 0 0 "[ . 1 . 2]" 1
349 1 28 TYR QD 1 29 MET H . . 5.040 4.796 4.490 4.900 . 0 0 "[ . 1 . 2]" 1
350 1 28 TYR QD 1 44 ARG H . . 5.500 3.379 3.067 4.178 . 0 0 "[ . 1 . 2]" 1
351 1 28 TYR QD 1 49 ILE MD . . 5.040 3.347 2.764 3.744 . 0 0 "[ . 1 . 2]" 1
352 1 28 TYR QD 1 96 LEU MD1 . . 4.760 3.510 2.910 3.753 . 0 0 "[ . 1 . 2]" 1
353 1 28 TYR QD 1 96 LEU MD2 . . 5.100 2.789 2.223 3.802 . 0 0 "[ . 1 . 2]" 1
354 1 28 TYR QE 1 44 ARG QB . . 4.950 2.574 2.184 3.069 . 0 0 "[ . 1 . 2]" 1
355 1 28 TYR QE 1 49 ILE HB . . 5.130 4.376 4.106 4.600 . 0 0 "[ . 1 . 2]" 1
356 1 28 TYR QE 1 49 ILE MD . . 6.530 1.936 1.816 2.167 . 0 0 "[ . 1 . 2]" 1
357 1 28 TYR QE 1 49 ILE QG . . 5.320 3.330 2.071 3.949 . 0 0 "[ . 1 . 2]" 1
358 1 28 TYR QE 1 96 LEU MD1 . . 4.450 3.114 2.005 3.800 . 0 0 "[ . 1 . 2]" 1
359 1 28 TYR QE 1 96 LEU MD2 . . 5.100 2.743 2.288 3.657 . 0 0 "[ . 1 . 2]" 1
360 1 28 TYR N 1 44 ARG O . . 3.000 2.867 2.718 2.997 . 0 0 "[ . 1 . 2]" 1
361 1 28 TYR O 1 44 ARG H . . 2.000 2.055 1.929 2.152 0.152 20 0 "[ . 1 . 2]" 1
362 1 28 TYR O 1 44 ARG N . . 3.000 2.982 2.896 3.042 0.042 16 0 "[ . 1 . 2]" 1
363 1 29 MET H 1 29 MET HB2 . . 2.800 2.614 2.454 2.857 0.057 11 0 "[ . 1 . 2]" 1
364 1 29 MET H 1 29 MET HB3 . . 3.020 2.489 2.456 2.531 . 0 0 "[ . 1 . 2]" 1
365 1 29 MET HA 1 30 PHE H . . 2.860 2.363 2.308 2.416 . 0 0 "[ . 1 . 2]" 1
366 1 29 MET HA 1 43 TYR HA . . 3.640 2.856 2.795 2.912 . 0 0 "[ . 1 . 2]" 1
367 1 29 MET HA 1 44 ARG H . . 3.610 3.742 3.686 3.815 0.205 4 0 "[ . 1 . 2]" 1
368 1 29 MET HB2 1 30 PHE H . . 4.380 4.448 4.397 4.490 0.110 3 0 "[ . 1 . 2]" 1
369 1 29 MET ME 1 30 PHE H . . 5.470 2.619 2.139 3.124 . 0 0 "[ . 1 . 2]" 1
370 1 29 MET ME 1 31 LEU H . . 6.530 4.717 4.320 5.016 . 0 0 "[ . 1 . 2]" 1
371 1 29 MET ME 1 31 LEU MD1 . . 5.850 3.812 3.591 3.962 . 0 0 "[ . 1 . 2]" 1
372 1 29 MET ME 1 31 LEU QD . . 8.660 2.345 2.121 2.611 . 0 0 "[ . 1 . 2]" 1
373 1 29 MET ME 1 31 LEU MD2 . . 5.540 2.369 2.136 2.664 . 0 0 "[ . 1 . 2]" 1
374 1 29 MET ME 1 41 VAL MG2 . . 6.320 2.361 2.046 2.888 . 0 0 "[ . 1 . 2]" 1
375 1 29 MET ME 1 43 TYR QD . . 5.100 3.767 2.207 4.007 . 0 0 "[ . 1 . 2]" 1
376 1 29 MET ME 1 43 TYR QE . . 4.790 3.641 2.607 3.877 . 0 0 "[ . 1 . 2]" 1
377 1 30 PHE H 1 30 PHE HB2 . . 3.360 2.180 2.062 2.309 . 0 0 "[ . 1 . 2]" 1
378 1 30 PHE H 1 30 PHE HB3 . . 3.790 3.001 2.536 3.458 . 0 0 "[ . 1 . 2]" 1
379 1 30 PHE H 1 30 PHE QD . . 3.730 3.776 3.313 4.101 0.371 9 0 "[ . 1 . 2]" 1
380 1 30 PHE H 1 42 VAL H . . 3.450 3.576 3.538 3.622 0.172 5 0 "[ . 1 . 2]" 1
381 1 30 PHE H 1 42 VAL MG2 . . 4.450 3.605 3.576 3.625 . 0 0 "[ . 1 . 2]" 1
382 1 30 PHE H 1 42 VAL O . . 2.000 1.982 1.918 2.027 0.027 7 0 "[ . 1 . 2]" 1
383 1 30 PHE H 1 43 TYR HA . . 3.670 2.840 2.611 3.099 . 0 0 "[ . 1 . 2]" 1
384 1 30 PHE HA 1 31 LEU H . . 2.710 2.399 2.320 2.489 . 0 0 "[ . 1 . 2]" 1
385 1 30 PHE HB2 1 31 LEU H . . 4.630 4.553 4.350 4.661 0.031 9 0 "[ . 1 . 2]" 1
386 1 30 PHE HB2 1 42 VAL MG1 . . 6.530 5.138 4.555 5.494 . 0 0 "[ . 1 . 2]" 1
387 1 30 PHE HB3 1 31 LEU H . . 3.730 3.529 3.143 3.793 0.063 18 0 "[ . 1 . 2]" 1
388 1 30 PHE HB3 1 42 VAL MG1 . . 6.530 4.525 4.246 5.052 . 0 0 "[ . 1 . 2]" 1
389 1 30 PHE QD 1 31 LEU H . . 4.450 4.022 3.443 4.417 . 0 0 "[ . 1 . 2]" 1
390 1 30 PHE QD 1 44 ARG H . . 5.500 4.391 3.392 5.084 . 0 0 "[ . 1 . 2]" 1
391 1 30 PHE QD 1 96 LEU MD1 . . 6.160 3.841 3.426 4.312 . 0 0 "[ . 1 . 2]" 1
392 1 30 PHE QD 1 96 LEU MD2 . . 5.040 3.063 2.218 3.830 . 0 0 "[ . 1 . 2]" 1
393 1 30 PHE N 1 42 VAL O . . 3.000 2.907 2.859 2.952 . 0 0 "[ . 1 . 2]" 1
394 1 30 PHE O 1 42 VAL H . . 2.000 1.968 1.902 2.005 0.005 12 0 "[ . 1 . 2]" 1
395 1 30 PHE O 1 42 VAL N . . 3.000 2.967 2.901 3.012 0.012 15 0 "[ . 1 . 2]" 1
396 1 31 LEU H 1 31 LEU HB2 . . 3.550 2.266 2.159 2.347 . 0 0 "[ . 1 . 2]" 1
397 1 31 LEU H 1 31 LEU QB . . 3.100 2.231 2.130 2.294 . 0 0 "[ . 1 . 2]" 1
398 1 31 LEU H 1 31 LEU HB3 . . 3.550 3.349 3.214 3.513 . 0 0 "[ . 1 . 2]" 1
399 1 31 LEU H 1 31 LEU MD1 . . 5.010 4.247 4.232 4.263 . 0 0 "[ . 1 . 2]" 1
400 1 31 LEU H 1 31 LEU MD2 . . 4.950 3.043 2.674 3.424 . 0 0 "[ . 1 . 2]" 1
401 1 31 LEU HA 1 31 LEU MD1 . . 4.450 2.127 2.100 2.152 . 0 0 "[ . 1 . 2]" 1
402 1 31 LEU HA 1 32 VAL H . . 2.710 2.263 2.229 2.310 . 0 0 "[ . 1 . 2]" 1
403 1 31 LEU HA 1 41 VAL HA . . 3.640 2.760 2.729 2.809 . 0 0 "[ . 1 . 2]" 1
404 1 31 LEU HA 1 42 VAL H . . 3.550 3.443 3.175 3.596 0.046 8 0 "[ . 1 . 2]" 1
405 1 31 LEU QB 1 32 VAL H . . 4.220 3.573 3.425 3.720 . 0 0 "[ . 1 . 2]" 1
406 1 31 LEU HB2 1 32 VAL H . . 4.940 4.646 4.571 4.730 . 0 0 "[ . 1 . 2]" 1
407 1 31 LEU HB3 1 32 VAL H . . 4.940 3.714 3.538 3.891 . 0 0 "[ . 1 . 2]" 1
408 1 31 LEU MD1 1 32 VAL H . . 4.450 2.895 2.418 3.271 . 0 0 "[ . 1 . 2]" 1
409 1 31 LEU MD1 1 39 GLU QG . . 7.340 4.612 2.703 5.404 . 0 0 "[ . 1 . 2]" 1
410 1 31 LEU MD1 1 41 VAL HA . . 5.100 2.686 2.374 3.116 . 0 0 "[ . 1 . 2]" 1
411 1 32 VAL H 1 32 VAL HB . . 3.240 3.270 3.173 3.310 0.070 5 0 "[ . 1 . 2]" 1
412 1 32 VAL H 1 32 VAL MG1 . . 4.420 2.054 1.988 2.107 . 0 0 "[ . 1 . 2]" 1
413 1 32 VAL H 1 40 LYS H . . 3.420 3.493 3.464 3.523 0.103 15 0 "[ . 1 . 2]" 1
414 1 32 VAL H 1 40 LYS O . . 2.000 2.021 1.973 2.061 0.061 18 0 "[ . 1 . 2]" 1
415 1 32 VAL H 1 41 VAL HA . . 3.420 2.980 2.704 3.251 . 0 0 "[ . 1 . 2]" 1
416 1 32 VAL H 1 42 VAL H . . 4.070 4.136 4.095 4.189 0.119 5 0 "[ . 1 . 2]" 1
417 1 32 VAL HA 1 33 LYS H . . 2.550 2.279 2.252 2.326 . 0 0 "[ . 1 . 2]" 1
418 1 32 VAL HB 1 33 LYS H . . 3.830 3.904 3.867 3.949 0.119 19 0 "[ . 1 . 2]" 1
419 1 32 VAL HB 1 34 TRP HE1 . . 5.500 4.681 4.510 4.939 . 0 0 "[ . 1 . 2]" 1
420 1 32 VAL MG1 1 33 LYS H . . 5.100 4.251 4.148 4.294 . 0 0 "[ . 1 . 2]" 1
421 1 32 VAL MG1 1 34 TRP HE1 . . 5.100 2.659 2.443 2.833 . 0 0 "[ . 1 . 2]" 1
422 1 32 VAL MG1 1 120 PHE HB2 . . 5.100 4.304 4.146 4.376 . 0 0 "[ . 1 . 2]" 1
423 1 32 VAL MG1 1 120 PHE QB . . 4.710 2.758 2.586 2.815 . 0 0 "[ . 1 . 2]" 1
424 1 32 VAL MG1 1 120 PHE HB3 . . 5.100 2.792 2.613 2.852 . 0 0 "[ . 1 . 2]" 1
425 1 32 VAL MG1 1 120 PHE HD1 . . 5.380 4.241 3.293 4.856 . 0 0 "[ . 1 . 2]" 1
426 1 32 VAL MG2 1 33 LYS H . . 4.170 2.481 2.369 2.552 . 0 0 "[ . 1 . 2]" 1
427 1 32 VAL MG2 1 34 TRP HA . . 5.850 3.838 3.642 4.000 . 0 0 "[ . 1 . 2]" 1
428 1 32 VAL MG2 1 34 TRP HD1 . . 5.880 2.584 2.386 2.784 . 0 0 "[ . 1 . 2]" 1
429 1 32 VAL MG2 1 34 TRP HE1 . . 4.170 2.460 2.300 2.641 . 0 0 "[ . 1 . 2]" 1
430 1 32 VAL MG2 1 34 TRP HZ2 . . 5.100 3.713 3.599 3.832 . 0 0 "[ . 1 . 2]" 1
431 1 32 VAL MG2 1 120 PHE QB . . 5.180 2.717 2.481 2.990 . 0 0 "[ . 1 . 2]" 1
432 1 32 VAL MG2 1 120 PHE HD1 . . 5.470 4.701 3.984 5.174 . 0 0 "[ . 1 . 2]" 1
433 1 32 VAL N 1 40 LYS O . . 3.000 2.972 2.896 3.034 0.034 18 0 "[ . 1 . 2]" 1
434 1 32 VAL O 1 40 LYS H . . 2.000 2.086 2.029 2.139 0.139 11 0 "[ . 1 . 2]" 1
435 1 32 VAL O 1 40 LYS N . . 3.000 3.025 2.999 3.053 0.053 4 0 "[ . 1 . 2]" 1
436 1 33 LYS H 1 33 LYS HB2 . . 3.240 2.752 2.368 3.108 . 0 0 "[ . 1 . 2]" 1
437 1 33 LYS H 1 33 LYS QB . . 2.930 2.468 2.309 2.619 . 0 0 "[ . 1 . 2]" 1
438 1 33 LYS H 1 33 LYS HB3 . . 3.240 2.954 2.498 3.688 0.448 10 0 "[ . 1 . 2]" 1
439 1 33 LYS H 1 34 TRP H . . 4.290 4.310 4.295 4.333 0.043 6 0 "[ . 1 . 2]" 1
440 1 33 LYS HA 1 34 TRP H . . 2.550 2.331 2.186 2.425 . 0 0 "[ . 1 . 2]" 1
441 1 33 LYS HA 1 34 TRP HD1 . . 4.450 3.814 3.512 4.048 . 0 0 "[ . 1 . 2]" 1
442 1 33 LYS HA 1 39 GLU HA . . 3.050 2.683 2.569 2.801 . 0 0 "[ . 1 . 2]" 1
443 1 33 LYS HA 1 40 LYS H . . 3.420 3.508 3.437 3.581 0.161 4 0 "[ . 1 . 2]" 1
444 1 33 LYS QB 1 34 TRP H . . 4.700 3.942 3.509 4.079 . 0 0 "[ . 1 . 2]" 1
445 1 33 LYS QG 1 34 TRP H . . 4.950 3.464 2.824 4.387 . 0 0 "[ . 1 . 2]" 1
446 1 34 TRP H 1 34 TRP HB2 . . 3.360 2.452 2.432 2.475 . 0 0 "[ . 1 . 2]" 1
447 1 34 TRP H 1 34 TRP HB3 . . 3.550 3.610 3.584 3.635 0.085 10 0 "[ . 1 . 2]" 1
448 1 34 TRP H 1 34 TRP HD1 . . 3.730 2.551 2.501 2.641 . 0 0 "[ . 1 . 2]" 1
449 1 34 TRP H 1 34 TRP HE1 . . 5.500 5.043 4.958 5.124 . 0 0 "[ . 1 . 2]" 1
450 1 34 TRP H 1 35 GLN H . . 4.630 4.588 4.558 4.614 . 0 0 "[ . 1 . 2]" 1
451 1 34 TRP H 1 38 SER H . . 3.610 3.729 3.673 3.763 0.153 9 0 "[ . 1 . 2]" 1
452 1 34 TRP H 1 38 SER O . . 2.000 1.986 1.902 2.041 0.041 4 0 "[ . 1 . 2]" 1
453 1 34 TRP H 1 39 GLU HA . . 3.240 3.351 3.127 3.437 0.197 17 0 "[ . 1 . 2]" 1
454 1 34 TRP HA 1 34 TRP HE3 . . 5.280 3.693 3.571 3.814 . 0 0 "[ . 1 . 2]" 1
455 1 34 TRP HA 1 35 GLN H . . 3.050 2.408 2.345 2.504 . 0 0 "[ . 1 . 2]" 1
456 1 34 TRP HB2 1 35 GLN H . . 3.790 3.803 3.661 3.872 0.082 3 0 "[ . 1 . 2]" 1
457 1 34 TRP HB2 1 36 ASP H . . 3.140 3.124 2.895 3.217 0.077 15 0 "[ . 1 . 2]" 1
458 1 34 TRP HB2 1 37 LEU H . . 4.350 2.885 2.655 3.078 . 0 0 "[ . 1 . 2]" 1
459 1 34 TRP HB2 1 38 SER H . . 3.170 2.376 2.320 2.433 . 0 0 "[ . 1 . 2]" 1
460 1 34 TRP HB3 1 35 GLN H . . 2.860 2.644 2.497 2.761 . 0 0 "[ . 1 . 2]" 1
461 1 34 TRP HB3 1 35 GLN QE . . 6.370 3.394 3.106 4.904 . 0 0 "[ . 1 . 2]" 1
462 1 34 TRP HB3 1 36 ASP H . . 3.240 2.443 2.376 2.509 . 0 0 "[ . 1 . 2]" 1
463 1 34 TRP HB3 1 37 LEU H . . 3.830 2.585 2.496 2.772 . 0 0 "[ . 1 . 2]" 1
464 1 34 TRP HB3 1 38 SER H . . 3.610 3.356 3.200 3.472 . 0 0 "[ . 1 . 2]" 1
465 1 34 TRP HD1 1 39 GLU HA . . 4.450 4.246 3.871 4.455 0.005 3 0 "[ . 1 . 2]" 1
466 1 34 TRP HD1 1 40 LYS QB . . 5.730 2.352 2.212 2.631 . 0 0 "[ . 1 . 2]" 1
467 1 34 TRP HE1 1 40 LYS QB . . 5.690 2.656 2.424 2.872 . 0 0 "[ . 1 . 2]" 1
468 1 34 TRP HE3 1 35 GLN H . . 3.730 3.764 3.623 3.847 0.117 12 0 "[ . 1 . 2]" 1
469 1 34 TRP HH2 1 117 LEU QD . . 4.760 2.574 2.456 2.726 . 0 0 "[ . 1 . 2]" 1
470 1 34 TRP HH2 1 121 LYS HA . . 4.450 4.453 4.353 4.491 0.041 8 0 "[ . 1 . 2]" 1
471 1 34 TRP HZ2 1 42 VAL MG1 . . 6.530 5.252 5.022 5.433 . 0 0 "[ . 1 . 2]" 1
472 1 34 TRP HZ2 1 117 LEU QD . . 5.880 4.561 4.526 4.605 . 0 0 "[ . 1 . 2]" 1
473 1 34 TRP HZ2 1 121 LYS H . . 5.500 3.412 3.078 3.783 . 0 0 "[ . 1 . 2]" 1
474 1 34 TRP HZ2 1 121 LYS HA . . 3.140 3.200 3.154 3.269 0.129 12 0 "[ . 1 . 2]" 1
475 1 34 TRP HZ2 1 121 LYS QB . . 6.380 2.747 2.499 3.120 . 0 0 "[ . 1 . 2]" 1
476 1 34 TRP HZ3 1 117 LEU QD . . 4.760 2.324 2.205 2.390 . 0 0 "[ . 1 . 2]" 1
477 1 34 TRP N 1 38 SER O . . 3.000 2.984 2.901 3.040 0.040 18 0 "[ . 1 . 2]" 1
478 1 35 GLN H 1 36 ASP H . . 3.240 2.450 2.316 2.534 . 0 0 "[ . 1 . 2]" 1
479 1 35 GLN H 1 36 ASP QB . . 4.920 4.019 3.862 4.168 . 0 0 "[ . 1 . 2]" 1
480 1 35 GLN HA 1 35 GLN HB2 . . 2.710 2.604 2.498 2.814 0.104 15 0 "[ . 1 . 2]" 1
481 1 35 GLN HA 1 35 GLN QB . . 2.500 2.346 2.329 2.374 . 0 0 "[ . 1 . 2]" 1
482 1 35 GLN HA 1 35 GLN HB3 . . 2.710 2.695 2.558 2.826 0.116 13 0 "[ . 1 . 2]" 1
483 1 35 GLN HA 1 36 ASP H . . 3.240 3.217 3.095 3.296 0.056 13 0 "[ . 1 . 2]" 1
484 1 35 GLN QB 1 36 ASP H . . 4.490 3.966 3.835 4.024 . 0 0 "[ . 1 . 2]" 1
485 1 35 GLN QE 1 36 ASP H . . 6.340 2.638 2.060 3.685 . 0 0 "[ . 1 . 2]" 1
486 1 35 GLN QE 1 36 ASP HA . . 4.560 3.868 3.640 4.135 . 0 0 "[ . 1 . 2]" 1
487 1 35 GLN QE 1 36 ASP HB2 . . 5.500 2.127 2.017 2.301 . 0 0 "[ . 1 . 2]" 1
488 1 35 GLN QE 1 36 ASP QB . . 4.970 2.012 1.896 2.276 . 0 0 "[ . 1 . 2]" 1
489 1 35 GLN QE 1 36 ASP HB3 . . 5.500 2.604 2.100 3.601 . 0 0 "[ . 1 . 2]" 1
490 1 35 GLN HG2 1 36 ASP H . . 4.450 4.286 3.390 5.150 0.700 19 6 "[ * * *1* . +-]" 1
491 1 35 GLN HG3 1 36 ASP H . . 4.450 4.467 3.712 5.056 0.606 6 8 "[** .+ * 1 * -.* * 2]" 1
492 1 36 ASP H 1 36 ASP HA . . 2.860 2.937 2.915 2.962 0.102 13 0 "[ . 1 . 2]" 1
493 1 36 ASP H 1 36 ASP HB2 . . 3.050 3.054 2.420 3.240 0.190 15 0 "[ . 1 . 2]" 1
494 1 36 ASP H 1 36 ASP QB . . 2.860 2.503 2.384 2.603 . 0 0 "[ . 1 . 2]" 1
495 1 36 ASP H 1 36 ASP HB3 . . 3.050 2.789 2.522 3.588 0.538 10 3 "[ . + . * -]" 1
496 1 36 ASP H 1 37 LEU H . . 3.050 2.292 2.167 2.460 . 0 0 "[ . 1 . 2]" 1
497 1 36 ASP H 1 37 LEU HA . . 5.500 4.720 4.655 4.815 . 0 0 "[ . 1 . 2]" 1
498 1 36 ASP H 1 38 SER H . . 4.140 2.731 2.584 2.915 . 0 0 "[ . 1 . 2]" 1
499 1 36 ASP HA 1 36 ASP HB2 . . 2.900 2.683 2.573 3.111 0.211 10 0 "[ . 1 . 2]" 1
500 1 36 ASP HA 1 36 ASP HB3 . . 2.900 3.085 2.746 3.149 0.249 9 0 "[ . 1 . 2]" 1
501 1 36 ASP HA 1 37 LEU H . . 3.550 3.577 3.567 3.591 0.041 20 0 "[ . 1 . 2]" 1
502 1 36 ASP HA 1 38 SER H . . 3.790 3.859 3.828 3.895 0.105 5 0 "[ . 1 . 2]" 1
503 1 36 ASP QB 1 38 SER H . . 6.380 4.232 4.146 4.366 . 0 0 "[ . 1 . 2]" 1
504 1 36 ASP HB2 1 37 LEU H . . 3.300 3.423 2.309 3.687 0.387 6 0 "[ . 1 . 2]" 1
505 1 36 ASP HB3 1 37 LEU H . . 3.300 2.244 2.064 2.892 . 0 0 "[ . 1 . 2]" 1
506 1 37 LEU H 1 37 LEU HA . . 2.900 2.844 2.790 2.871 . 0 0 "[ . 1 . 2]" 1
507 1 37 LEU H 1 37 LEU QB . . 3.160 2.380 2.241 2.461 . 0 0 "[ . 1 . 2]" 1
508 1 37 LEU H 1 37 LEU MD1 . . 4.170 2.601 1.981 3.451 . 0 0 "[ . 1 . 2]" 1
509 1 37 LEU H 1 37 LEU HG . . 3.920 3.778 3.677 3.974 0.054 13 0 "[ . 1 . 2]" 1
510 1 37 LEU H 1 38 SER H . . 3.450 2.791 2.678 2.843 . 0 0 "[ . 1 . 2]" 1
511 1 37 LEU HA 1 37 LEU MD1 . . 3.680 2.610 2.177 2.998 . 0 0 "[ . 1 . 2]" 1
512 1 37 LEU HA 1 37 LEU MD2 . . 4.170 3.454 3.065 3.745 . 0 0 "[ . 1 . 2]" 1
513 1 37 LEU HA 1 37 LEU HG . . 3.730 3.126 2.620 3.784 0.054 19 0 "[ . 1 . 2]" 1
514 1 37 LEU HA 1 38 SER H . . 3.420 3.412 3.367 3.447 0.027 13 0 "[ . 1 . 2]" 1
515 1 37 LEU QB 1 38 SER H . . 3.610 3.248 3.226 3.268 . 0 0 "[ . 1 . 2]" 1
516 1 37 LEU MD1 1 38 SER H . . 6.530 4.520 4.135 4.932 . 0 0 "[ . 1 . 2]" 1
517 1 38 SER H 1 38 SER HA . . 2.620 2.333 2.300 2.359 . 0 0 "[ . 1 . 2]" 1
518 1 38 SER H 1 38 SER QB . . 3.800 3.246 3.019 3.444 . 0 0 "[ . 1 . 2]" 1
519 1 38 SER H 1 39 GLU H . . 4.940 4.676 4.622 4.730 . 0 0 "[ . 1 . 2]" 1
520 1 38 SER HA 1 38 SER QB . . 2.620 2.504 2.443 2.553 . 0 0 "[ . 1 . 2]" 1
521 1 38 SER HA 1 39 GLU H . . 2.800 2.886 2.848 2.935 0.135 13 0 "[ . 1 . 2]" 1
522 1 38 SER QB 1 39 GLU H . . 3.870 2.184 1.972 2.414 . 0 0 "[ . 1 . 2]" 1
523 1 39 GLU H 1 39 GLU QB . . 3.370 2.543 2.140 2.969 . 0 0 "[ . 1 . 2]" 1
524 1 39 GLU H 1 39 GLU QG . . 4.730 2.181 1.843 3.627 . 0 0 "[ . 1 . 2]" 1
525 1 39 GLU H 1 40 LYS H . . 4.630 4.676 4.656 4.693 0.063 13 0 "[ . 1 . 2]" 1
526 1 39 GLU HA 1 39 GLU HB2 . . 2.900 2.874 2.647 3.136 0.236 6 0 "[ . 1 . 2]" 1
527 1 39 GLU HA 1 39 GLU HB3 . . 2.900 2.603 2.464 2.827 . 0 0 "[ . 1 . 2]" 1
528 1 39 GLU HA 1 40 LYS H . . 2.550 2.293 2.250 2.331 . 0 0 "[ . 1 . 2]" 1
529 1 39 GLU QB 1 40 LYS H . . 3.740 3.207 2.893 3.400 . 0 0 "[ . 1 . 2]" 1
530 1 39 GLU QG 1 40 LYS H . . 5.690 4.284 3.268 5.062 . 0 0 "[ . 1 . 2]" 1
531 1 40 LYS H 1 40 LYS QB . . 3.820 2.754 2.580 2.895 . 0 0 "[ . 1 . 2]" 1
532 1 40 LYS H 1 41 VAL MG1 . . 4.760 3.826 3.814 3.841 . 0 0 "[ . 1 . 2]" 1
533 1 40 LYS HA 1 41 VAL H . . 2.550 2.386 2.273 2.456 . 0 0 "[ . 1 . 2]" 1
534 1 40 LYS HA 1 41 VAL MG1 . . 4.670 3.070 2.915 3.334 . 0 0 "[ . 1 . 2]" 1
535 1 40 LYS QB 1 41 VAL H . . 4.120 3.032 2.690 3.643 . 0 0 "[ . 1 . 2]" 1
536 1 41 VAL H 1 41 VAL HB . . 3.580 3.672 3.596 3.714 0.134 2 0 "[ . 1 . 2]" 1
537 1 41 VAL H 1 41 VAL MG1 . . 3.890 2.304 2.070 2.495 . 0 0 "[ . 1 . 2]" 1
538 1 41 VAL H 1 41 VAL MG2 . . 4.760 2.384 2.305 2.479 . 0 0 "[ . 1 . 2]" 1
539 1 41 VAL HA 1 42 VAL H . . 2.550 2.356 2.310 2.388 . 0 0 "[ . 1 . 2]" 1
540 1 41 VAL HB 1 42 VAL H . . 3.420 3.033 2.879 3.206 . 0 0 "[ . 1 . 2]" 1
541 1 41 VAL MG2 1 42 VAL H . . 4.170 3.372 3.345 3.435 . 0 0 "[ . 1 . 2]" 1
542 1 41 VAL MG2 1 42 VAL HA . . 5.100 3.409 3.352 3.502 . 0 0 "[ . 1 . 2]" 1
543 1 41 VAL MG2 1 43 TYR QE . . 4.760 3.188 2.776 3.687 . 0 0 "[ . 1 . 2]" 1
544 1 42 VAL HA 1 43 TYR H . . 3.170 2.441 2.327 2.501 . 0 0 "[ . 1 . 2]" 1
545 1 42 VAL HA 1 43 TYR QD . . 4.070 2.618 2.299 4.043 . 0 0 "[ . 1 . 2]" 1
546 1 42 VAL HA 1 43 TYR QE . . 4.450 3.368 3.176 4.333 . 0 0 "[ . 1 . 2]" 1
547 1 42 VAL HB 1 43 TYR H . . 3.240 2.571 2.436 2.943 . 0 0 "[ . 1 . 2]" 1
548 1 42 VAL QG 1 120 PHE HA . . 6.200 2.610 2.313 2.927 . 0 0 "[ . 1 . 2]" 1
549 1 42 VAL QG 1 120 PHE HD1 . . 7.250 2.861 2.439 3.619 . 0 0 "[ . 1 . 2]" 1
550 1 42 VAL MG1 1 120 PHE HA . . 6.530 2.810 2.375 3.383 . 0 0 "[ . 1 . 2]" 1
551 1 42 VAL MG2 1 43 TYR H . . 4.450 3.320 3.068 3.602 . 0 0 "[ . 1 . 2]" 1
552 1 42 VAL MG2 1 44 ARG H . . 6.530 4.753 4.458 5.148 . 0 0 "[ . 1 . 2]" 1
553 1 42 VAL MG2 1 120 PHE HA . . 4.170 3.174 3.129 3.222 . 0 0 "[ . 1 . 2]" 1
554 1 43 TYR H 1 43 TYR HB2 . . 3.050 2.526 2.433 2.696 . 0 0 "[ . 1 . 2]" 1
555 1 43 TYR H 1 43 TYR HB3 . . 3.450 3.574 3.537 3.606 0.156 16 0 "[ . 1 . 2]" 1
556 1 43 TYR H 1 43 TYR QD . . 3.140 2.082 1.872 2.834 . 0 0 "[ . 1 . 2]" 1
557 1 43 TYR H 1 43 TYR QE . . 4.820 4.109 3.932 4.225 . 0 0 "[ . 1 . 2]" 1
558 1 43 TYR HA 1 43 TYR QD . . 4.450 3.307 2.674 3.454 . 0 0 "[ . 1 . 2]" 1
559 1 43 TYR HA 1 44 ARG H . . 2.710 2.373 2.292 2.449 . 0 0 "[ . 1 . 2]" 1
560 1 43 TYR HB2 1 43 TYR QD . . 3.140 2.825 2.623 2.938 . 0 0 "[ . 1 . 2]" 1
561 1 43 TYR HB2 1 44 ARG H . . 3.700 3.775 3.691 3.879 0.179 1 0 "[ . 1 . 2]" 1
562 1 43 TYR HB3 1 44 ARG H . . 3.420 2.986 2.780 3.300 . 0 0 "[ . 1 . 2]" 1
563 1 43 TYR QD 1 126 ASP HA . . 3.420 2.136 2.023 2.287 . 0 0 "[ . 1 . 2]" 1
564 1 43 TYR QE 1 126 ASP HA . . 3.730 2.484 2.215 2.745 . 0 0 "[ . 1 . 2]" 1
565 1 43 TYR QE 1 129 LEU MD2 . . 6.530 4.859 3.568 4.966 . 0 0 "[ . 1 . 2]" 1
566 1 44 ARG H 1 44 ARG QB . . 3.820 2.619 2.391 2.885 . 0 0 "[ . 1 . 2]" 1
567 1 44 ARG HA 1 45 ARG H . . 2.860 2.320 2.253 2.412 . 0 0 "[ . 1 . 2]" 1
568 1 45 ARG H 1 45 ARG QB . . 3.570 2.915 2.326 3.248 . 0 0 "[ . 1 . 2]" 1
569 1 45 ARG H 1 48 GLU HB2 . . 3.580 2.293 2.055 2.517 . 0 0 "[ . 1 . 2]" 1
570 1 45 ARG H 1 48 GLU HB3 . . 4.140 3.588 3.350 3.799 . 0 0 "[ . 1 . 2]" 1
571 1 45 ARG H 1 48 GLU QG . . 5.330 3.046 1.994 3.827 . 0 0 "[ . 1 . 2]" 1
572 1 45 ARG H 1 49 ILE MD . . 5.850 3.321 2.422 4.145 . 0 0 "[ . 1 . 2]" 1
573 1 45 ARG HA 1 46 PHE H . . 3.240 2.410 2.346 2.466 . 0 0 "[ . 1 . 2]" 1
574 1 45 ARG QB 1 47 THR H . . 4.490 3.421 2.857 3.882 . 0 0 "[ . 1 . 2]" 1
575 1 45 ARG O 1 49 ILE H . . 2.000 2.063 1.962 2.208 0.208 14 0 "[ . 1 . 2]" 1
576 1 45 ARG O 1 49 ILE N . . 3.000 3.038 2.935 3.178 0.178 14 0 "[ . 1 . 2]" 1
577 1 46 PHE H 1 46 PHE HB2 . . 3.360 3.471 2.838 3.584 0.224 3 0 "[ . 1 . 2]" 1
578 1 46 PHE H 1 46 PHE QB . . 3.180 2.624 2.454 2.991 . 0 0 "[ . 1 . 2]" 1
579 1 46 PHE H 1 46 PHE HB3 . . 3.360 2.783 2.504 3.518 0.158 7 0 "[ . 1 . 2]" 1
580 1 46 PHE H 1 46 PHE HD1 . . 4.070 2.609 1.945 4.378 0.308 6 0 "[ . 1 . 2]" 1
581 1 46 PHE H 1 47 THR H . . 3.610 2.962 2.698 3.140 . 0 0 "[ . 1 . 2]" 1
582 1 46 PHE H 1 48 GLU HB2 . . 5.500 5.157 4.815 5.326 . 0 0 "[ . 1 . 2]" 1
583 1 46 PHE HA 1 46 PHE HD1 . . 4.850 3.917 2.846 4.364 . 0 0 "[ . 1 . 2]" 1
584 1 46 PHE HA 1 49 ILE H . . 3.420 3.470 3.302 3.546 0.126 8 0 "[ . 1 . 2]" 1
585 1 46 PHE HA 1 49 ILE HB . . 3.640 3.054 2.886 3.503 . 0 0 "[ . 1 . 2]" 1
586 1 46 PHE HA 1 49 ILE MD . . 6.530 3.084 2.460 4.028 . 0 0 "[ . 1 . 2]" 1
587 1 46 PHE QB 1 47 THR H . . 3.420 2.984 2.185 3.191 . 0 0 "[ . 1 . 2]" 1
588 1 46 PHE HB2 1 47 THR H . . 3.640 3.123 2.207 3.393 . 0 0 "[ . 1 . 2]" 1
589 1 46 PHE HB3 1 47 THR H . . 3.640 3.866 3.522 3.997 0.357 5 0 "[ . 1 . 2]" 1
590 1 46 PHE HD1 1 47 THR MG . . 5.470 5.000 3.684 5.943 0.473 7 0 "[ . 1 . 2]" 1
591 1 46 PHE O 1 50 TYR H . . 2.000 1.951 1.898 2.008 0.008 14 0 "[ . 1 . 2]" 1
592 1 46 PHE O 1 50 TYR N . . 3.000 2.944 2.886 3.013 0.013 14 0 "[ . 1 . 2]" 1
593 1 47 THR H 1 47 THR HB . . 3.240 2.633 2.482 3.314 0.074 14 0 "[ . 1 . 2]" 1
594 1 47 THR H 1 47 THR MG . . 4.170 2.082 1.819 2.252 . 0 0 "[ . 1 . 2]" 1
595 1 47 THR H 1 48 GLU H . . 3.420 2.855 2.722 2.914 . 0 0 "[ . 1 . 2]" 1
596 1 47 THR H 1 48 GLU HB2 . . 5.000 4.965 4.808 5.037 0.037 20 0 "[ . 1 . 2]" 1
597 1 47 THR HA 1 50 TYR H . . 3.670 3.398 3.179 3.563 . 0 0 "[ . 1 . 2]" 1
598 1 47 THR HA 1 50 TYR QB . . 4.520 2.516 2.407 2.669 . 0 0 "[ . 1 . 2]" 1
599 1 47 THR HA 1 50 TYR QE . . 4.850 3.958 3.786 4.144 . 0 0 "[ . 1 . 2]" 1
600 1 47 THR HA 1 51 GLU H . . 3.610 3.636 3.494 3.683 0.073 9 0 "[ . 1 . 2]" 1
601 1 47 THR MG 1 48 GLU QG . . 5.640 2.880 2.434 3.922 . 0 0 "[ . 1 . 2]" 1
602 1 47 THR O 1 51 GLU H . . 2.000 1.883 1.818 1.957 . 0 0 "[ . 1 . 2]" 1
603 1 47 THR O 1 51 GLU N . . 3.000 2.826 2.750 2.864 . 0 0 "[ . 1 . 2]" 1
604 1 48 GLU H 1 48 GLU HB2 . . 2.710 2.329 2.245 2.423 . 0 0 "[ . 1 . 2]" 1
605 1 48 GLU H 1 48 GLU HB3 . . 3.240 3.467 3.424 3.507 0.267 20 0 "[ . 1 . 2]" 1
606 1 48 GLU H 1 48 GLU HG2 . . 3.730 3.047 2.372 3.890 0.160 18 0 "[ . 1 . 2]" 1
607 1 48 GLU H 1 48 GLU QG . . 3.330 2.783 2.338 3.113 . 0 0 "[ . 1 . 2]" 1
608 1 48 GLU H 1 48 GLU HG3 . . 3.730 3.640 2.807 3.988 0.258 13 0 "[ . 1 . 2]" 1
609 1 48 GLU H 1 49 ILE H . . 3.050 2.376 2.215 2.484 . 0 0 "[ . 1 . 2]" 1
610 1 48 GLU H 1 50 TYR H . . 4.260 3.726 3.672 3.802 . 0 0 "[ . 1 . 2]" 1
611 1 48 GLU H 1 50 TYR QD . . 5.500 5.210 5.145 5.281 . 0 0 "[ . 1 . 2]" 1
612 1 48 GLU H 1 51 GLU H . . 5.500 4.352 4.220 4.444 . 0 0 "[ . 1 . 2]" 1
613 1 48 GLU HA 1 48 GLU HB2 . . 3.050 3.061 3.037 3.088 0.038 9 0 "[ . 1 . 2]" 1
614 1 48 GLU HA 1 48 GLU HG2 . . 3.730 2.706 2.459 3.228 . 0 0 "[ . 1 . 2]" 1
615 1 48 GLU HA 1 48 GLU QG . . 3.330 2.631 2.409 3.045 . 0 0 "[ . 1 . 2]" 1
616 1 48 GLU HA 1 48 GLU HG3 . . 3.730 3.624 3.225 3.770 0.040 20 0 "[ . 1 . 2]" 1
617 1 48 GLU HA 1 49 ILE H . . 3.610 3.598 3.571 3.616 0.006 3 0 "[ . 1 . 2]" 1
618 1 48 GLU HA 1 51 GLU H . . 3.240 3.209 3.033 3.320 0.080 9 0 "[ . 1 . 2]" 1
619 1 48 GLU HA 1 51 GLU QB . . 3.780 2.476 2.278 2.653 . 0 0 "[ . 1 . 2]" 1
620 1 48 GLU HA 1 52 PHE H . . 4.070 3.594 3.313 3.943 . 0 0 "[ . 1 . 2]" 1
621 1 48 GLU HB2 1 49 ILE H . . 3.520 2.614 2.390 2.896 . 0 0 "[ . 1 . 2]" 1
622 1 48 GLU HB3 1 49 ILE H . . 3.240 3.318 3.193 3.411 0.171 16 0 "[ . 1 . 2]" 1
623 1 48 GLU QG 1 49 ILE H . . 6.380 4.209 3.910 4.396 . 0 0 "[ . 1 . 2]" 1
624 1 48 GLU O 1 52 PHE H . . 2.000 1.827 1.791 1.865 . 0 0 "[ . 1 . 2]" 1
625 1 48 GLU O 1 52 PHE N . . 3.000 2.805 2.761 2.846 . 0 0 "[ . 1 . 2]" 1
626 1 49 ILE H 1 49 ILE HB . . 2.860 2.532 2.412 2.875 0.015 13 0 "[ . 1 . 2]" 1
627 1 49 ILE H 1 49 ILE MD . . 4.450 2.552 2.190 3.630 . 0 0 "[ . 1 . 2]" 1
628 1 49 ILE H 1 49 ILE QG . . 4.950 2.906 2.007 3.571 . 0 0 "[ . 1 . 2]" 1
629 1 49 ILE H 1 49 ILE MG . . 4.760 3.788 3.761 3.830 . 0 0 "[ . 1 . 2]" 1
630 1 49 ILE H 1 50 TYR H . . 3.050 2.659 2.607 2.719 . 0 0 "[ . 1 . 2]" 1
631 1 49 ILE HA 1 52 PHE H . . 3.920 3.728 3.395 3.982 0.062 15 0 "[ . 1 . 2]" 1
632 1 49 ILE HA 1 52 PHE QB . . 4.740 2.666 2.481 2.991 . 0 0 "[ . 1 . 2]" 1
633 1 49 ILE HA 1 53 HIS H . . 4.290 3.859 3.636 4.118 . 0 0 "[ . 1 . 2]" 1
634 1 49 ILE HB 1 50 TYR H . . 3.050 2.765 2.486 2.900 . 0 0 "[ . 1 . 2]" 1
635 1 49 ILE HB 1 50 TYR QD . . 4.450 3.412 2.831 3.723 . 0 0 "[ . 1 . 2]" 1
636 1 49 ILE HB 1 50 TYR QE . . 4.910 3.813 3.181 4.060 . 0 0 "[ . 1 . 2]" 1
637 1 49 ILE HB 1 51 GLU H . . 5.500 5.358 5.168 5.502 0.002 2 0 "[ . 1 . 2]" 1
638 1 49 ILE QG 1 50 TYR H . . 6.380 4.293 3.516 4.637 . 0 0 "[ . 1 . 2]" 1
639 1 49 ILE MG 1 50 TYR H . . 5.380 3.296 3.037 3.710 . 0 0 "[ . 1 . 2]" 1
640 1 49 ILE MG 1 99 TYR HD1 . . 5.470 5.388 5.023 5.589 0.119 6 0 "[ . 1 . 2]" 1
641 1 49 ILE MG 1 99 TYR QE . . 5.470 3.050 2.615 3.388 . 0 0 "[ . 1 . 2]" 1
642 1 49 ILE O 1 53 HIS H . . 2.000 1.942 1.847 2.073 0.073 14 0 "[ . 1 . 2]" 1
643 1 49 ILE O 1 53 HIS N . . 3.000 2.937 2.840 3.073 0.073 14 0 "[ . 1 . 2]" 1
644 1 50 TYR H 1 50 TYR HB2 . . 3.300 2.635 2.574 2.679 . 0 0 "[ . 1 . 2]" 1
645 1 50 TYR H 1 50 TYR HB3 . . 3.300 3.591 3.563 3.615 0.315 9 0 "[ . 1 . 2]" 1
646 1 50 TYR H 1 50 TYR QD . . 3.730 2.840 2.746 2.917 . 0 0 "[ . 1 . 2]" 1
647 1 50 TYR H 1 50 TYR QE . . 4.720 4.264 4.131 4.328 . 0 0 "[ . 1 . 2]" 1
648 1 50 TYR H 1 51 GLU H . . 3.050 2.764 2.632 2.860 . 0 0 "[ . 1 . 2]" 1
649 1 50 TYR HA 1 50 TYR QD . . 4.510 2.340 2.209 2.469 . 0 0 "[ . 1 . 2]" 1
650 1 50 TYR HA 1 51 GLU H . . 3.520 3.573 3.552 3.592 0.072 13 0 "[ . 1 . 2]" 1
651 1 50 TYR HA 1 53 HIS H . . 3.610 3.642 3.594 3.694 0.084 6 0 "[ . 1 . 2]" 1
652 1 50 TYR HA 1 53 HIS HB2 . . 5.500 3.765 3.604 3.934 . 0 0 "[ . 1 . 2]" 1
653 1 50 TYR HA 1 53 HIS HB3 . . 5.500 2.849 2.669 3.021 . 0 0 "[ . 1 . 2]" 1
654 1 50 TYR HA 1 54 LYS H . . 3.450 3.628 3.583 3.667 0.217 5 0 "[ . 1 . 2]" 1
655 1 50 TYR HA 1 95 THR MG . . 6.530 5.482 5.320 5.521 . 0 0 "[ . 1 . 2]" 1
656 1 50 TYR QB 1 51 GLU H . . 3.550 2.331 2.239 2.438 . 0 0 "[ . 1 . 2]" 1
657 1 50 TYR HB2 1 51 GLU H . . 3.730 2.364 2.268 2.474 . 0 0 "[ . 1 . 2]" 1
658 1 50 TYR HB3 1 51 GLU H . . 3.730 3.554 3.445 3.681 . 0 0 "[ . 1 . 2]" 1
659 1 50 TYR QD 1 51 GLU H . . 4.350 4.365 4.322 4.395 0.045 16 0 "[ . 1 . 2]" 1
660 1 50 TYR QD 1 79 ALA MB . . 5.470 3.306 2.955 3.978 . 0 0 "[ . 1 . 2]" 1
661 1 50 TYR QE 1 79 ALA MB . . 4.760 2.494 2.049 2.807 . 0 0 "[ . 1 . 2]" 1
662 1 50 TYR O 1 54 LYS H . . 2.000 1.796 1.762 1.836 . 0 0 "[ . 1 . 2]" 1
663 1 50 TYR O 1 54 LYS N . . 3.000 2.721 2.694 2.751 . 0 0 "[ . 1 . 2]" 1
664 1 51 GLU H 1 51 GLU HA . . 2.800 2.835 2.812 2.852 0.052 6 0 "[ . 1 . 2]" 1
665 1 51 GLU H 1 51 GLU QB . . 3.310 2.350 2.260 2.422 . 0 0 "[ . 1 . 2]" 1
666 1 51 GLU H 1 51 GLU QG . . 4.610 3.464 2.482 4.184 . 0 0 "[ . 1 . 2]" 1
667 1 51 GLU H 1 52 PHE H . . 2.710 2.769 2.732 2.809 0.099 5 0 "[ . 1 . 2]" 1
668 1 51 GLU HA 1 52 PHE H . . 3.610 3.538 3.520 3.568 . 0 0 "[ . 1 . 2]" 1
669 1 51 GLU HA 1 54 LYS H . . 3.610 3.607 3.459 3.678 0.068 20 0 "[ . 1 . 2]" 1
670 1 51 GLU HA 1 54 LYS QB . . 4.300 2.394 2.245 2.688 . 0 0 "[ . 1 . 2]" 1
671 1 51 GLU HA 1 55 THR H . . 4.010 3.985 3.911 4.032 0.022 2 0 "[ . 1 . 2]" 1
672 1 51 GLU QB 1 52 PHE H . . 4.270 2.714 2.501 2.946 . 0 0 "[ . 1 . 2]" 1
673 1 51 GLU QG 1 52 PHE H . . 5.320 4.119 3.601 4.736 . 0 0 "[ . 1 . 2]" 1
674 1 52 PHE H 1 52 PHE HB2 . . 2.960 2.697 2.646 2.768 . 0 0 "[ . 1 . 2]" 1
675 1 52 PHE H 1 52 PHE QB . . 2.700 2.263 2.208 2.296 . 0 0 "[ . 1 . 2]" 1
676 1 52 PHE H 1 52 PHE HB3 . . 2.960 2.433 2.353 2.509 . 0 0 "[ . 1 . 2]" 1
677 1 52 PHE H 1 52 PHE QD . . 4.880 4.411 4.340 4.439 . 0 0 "[ . 1 . 2]" 1
678 1 52 PHE H 1 53 HIS H . . 3.050 2.842 2.743 2.947 . 0 0 "[ . 1 . 2]" 1
679 1 52 PHE HA 1 52 PHE QD . . 3.730 3.041 2.917 3.204 . 0 0 "[ . 1 . 2]" 1
680 1 52 PHE HA 1 55 THR H . . 3.420 3.535 3.511 3.553 0.133 18 0 "[ . 1 . 2]" 1
681 1 52 PHE HA 1 55 THR HB . . 5.500 2.926 2.887 2.956 . 0 0 "[ . 1 . 2]" 1
682 1 52 PHE HA 1 56 LEU H . . 4.660 4.205 4.143 4.261 . 0 0 "[ . 1 . 2]" 1
683 1 52 PHE HA 1 115 HIS HE1 . . 4.070 4.100 4.087 4.117 0.047 19 0 "[ . 1 . 2]" 1
684 1 52 PHE QB 1 53 HIS H . . 3.440 2.078 2.040 2.132 . 0 0 "[ . 1 . 2]" 1
685 1 52 PHE HB2 1 53 HIS H . . 3.640 3.542 3.506 3.595 . 0 0 "[ . 1 . 2]" 1
686 1 52 PHE HB3 1 53 HIS H . . 3.640 2.093 2.054 2.148 . 0 0 "[ . 1 . 2]" 1
687 1 52 PHE QD 1 53 HIS H . . 3.640 2.686 2.562 2.836 . 0 0 "[ . 1 . 2]" 1
688 1 52 PHE QD 1 53 HIS HA . . 4.450 2.320 2.196 2.778 . 0 0 "[ . 1 . 2]" 1
689 1 52 PHE QD 1 53 HIS QB . . 4.950 2.607 2.532 2.670 . 0 0 "[ . 1 . 2]" 1
690 1 52 PHE QD 1 54 LYS H . . 5.500 4.756 4.674 4.894 . 0 0 "[ . 1 . 2]" 1
691 1 52 PHE QD 1 56 LEU HB2 . . 4.450 3.911 3.705 4.312 . 0 0 "[ . 1 . 2]" 1
692 1 52 PHE QD 1 103 LEU MD1 . . 5.470 3.827 3.342 4.019 . 0 0 "[ . 1 . 2]" 1
693 1 52 PHE QD 1 115 HIS HD2 . . 3.420 3.798 3.745 3.845 0.425 6 0 "[ . 1 . 2]" 1
694 1 52 PHE QD 1 116 LEU HA . . 5.500 4.832 4.712 5.110 . 0 0 "[ . 1 . 2]" 1
695 1 52 PHE QD 1 119 PHE QD . . 3.760 3.309 2.419 3.530 . 0 0 "[ . 1 . 2]" 1
696 1 52 PHE O 1 56 LEU H . . 2.000 1.885 1.854 1.915 . 0 0 "[ . 1 . 2]" 1
697 1 52 PHE O 1 56 LEU N . . 3.000 2.844 2.814 2.877 . 0 0 "[ . 1 . 2]" 1
698 1 53 HIS H 1 53 HIS HA . . 2.860 2.733 2.699 2.774 . 0 0 "[ . 1 . 2]" 1
699 1 53 HIS H 1 53 HIS HB2 . . 2.900 2.185 2.093 2.267 . 0 0 "[ . 1 . 2]" 1
700 1 53 HIS H 1 53 HIS QB . . 2.680 2.094 2.033 2.146 . 0 0 "[ . 1 . 2]" 1
701 1 53 HIS H 1 53 HIS HB3 . . 2.900 2.688 2.619 2.761 . 0 0 "[ . 1 . 2]" 1
702 1 53 HIS H 1 54 LYS H . . 3.020 2.695 2.640 2.763 . 0 0 "[ . 1 . 2]" 1
703 1 53 HIS H 1 54 LYS QB . . 5.450 4.605 4.438 4.648 . 0 0 "[ . 1 . 2]" 1
704 1 53 HIS H 1 99 TYR QE . . 5.410 3.676 3.544 3.961 . 0 0 "[ . 1 . 2]" 1
705 1 53 HIS HA 1 54 LYS H . . 3.480 3.406 3.374 3.445 . 0 0 "[ . 1 . 2]" 1
706 1 53 HIS HA 1 55 THR H . . 4.070 4.180 4.166 4.206 0.136 9 0 "[ . 1 . 2]" 1
707 1 53 HIS HA 1 56 LEU H . . 3.170 3.242 3.208 3.277 0.107 8 0 "[ . 1 . 2]" 1
708 1 53 HIS HA 1 56 LEU HB2 . . 3.420 3.009 2.946 3.050 . 0 0 "[ . 1 . 2]" 1
709 1 53 HIS HA 1 56 LEU HB3 . . 3.640 2.953 2.897 2.989 . 0 0 "[ . 1 . 2]" 1
710 1 53 HIS HA 1 57 LYS H . . 3.980 4.024 3.983 4.066 0.086 18 0 "[ . 1 . 2]" 1
711 1 53 HIS HA 1 99 TYR QE . . 4.450 3.667 3.441 3.967 . 0 0 "[ . 1 . 2]" 1
712 1 53 HIS QB 1 54 LYS H . . 3.230 2.608 2.492 2.761 . 0 0 "[ . 1 . 2]" 1
713 1 53 HIS HB2 1 54 LYS H . . 3.450 3.697 3.593 3.799 0.349 17 0 "[ . 1 . 2]" 1
714 1 53 HIS HB3 1 54 LYS H . . 3.450 2.667 2.540 2.835 . 0 0 "[ . 1 . 2]" 1
715 1 53 HIS HE1 1 56 LEU HG . . 4.070 4.144 4.090 4.200 0.130 4 0 "[ . 1 . 2]" 1
716 1 53 HIS HE1 1 74 ILE MG . . 4.170 2.532 2.480 2.602 . 0 0 "[ . 1 . 2]" 1
717 1 53 HIS HE1 1 99 TYR QE . . 3.140 3.129 2.763 3.345 0.205 5 0 "[ . 1 . 2]" 1
718 1 53 HIS HE1 1 103 LEU QD . . 6.980 5.112 5.021 5.186 . 0 0 "[ . 1 . 2]" 1
719 1 53 HIS O 1 57 LYS H . . 2.000 1.971 1.914 2.058 0.058 17 0 "[ . 1 . 2]" 1
720 1 53 HIS O 1 57 LYS N . . 3.000 2.974 2.915 3.066 0.066 17 0 "[ . 1 . 2]" 1
721 1 54 LYS H 1 54 LYS HA . . 2.860 2.892 2.878 2.904 0.044 6 0 "[ . 1 . 2]" 1
722 1 54 LYS H 1 54 LYS QB . . 3.740 2.337 2.193 2.413 . 0 0 "[ . 1 . 2]" 1
723 1 54 LYS H 1 54 LYS QG . . 4.950 3.175 2.584 4.125 . 0 0 "[ . 1 . 2]" 1
724 1 54 LYS H 1 55 THR H . . 3.050 2.628 2.540 2.691 . 0 0 "[ . 1 . 2]" 1
725 1 54 LYS H 1 56 LEU H . . 4.480 4.081 4.014 4.142 . 0 0 "[ . 1 . 2]" 1
726 1 54 LYS HA 1 55 THR H . . 3.420 3.530 3.524 3.538 0.118 10 0 "[ . 1 . 2]" 1
727 1 54 LYS HA 1 56 LEU H . . 5.500 4.440 4.366 4.538 . 0 0 "[ . 1 . 2]" 1
728 1 54 LYS HA 1 57 LYS H . . 3.980 3.490 3.333 3.701 . 0 0 "[ . 1 . 2]" 1
729 1 54 LYS HA 1 58 GLU H . . 5.500 4.270 4.215 4.361 . 0 0 "[ . 1 . 2]" 1
730 1 54 LYS QB 1 55 THR H . . 3.930 2.696 2.515 3.356 . 0 0 "[ . 1 . 2]" 1
731 1 54 LYS QG 1 55 THR H . . 5.690 4.030 2.467 4.601 . 0 0 "[ . 1 . 2]" 1
732 1 54 LYS O 1 58 GLU H . . 2.000 2.088 2.019 2.135 0.135 10 0 "[ . 1 . 2]" 1
733 1 54 LYS O 1 58 GLU N . . 3.000 2.858 2.797 2.896 . 0 0 "[ . 1 . 2]" 1
734 1 55 THR H 1 55 THR HA . . 2.930 2.931 2.914 2.945 0.015 14 0 "[ . 1 . 2]" 1
735 1 55 THR H 1 55 THR HB . . 2.590 2.512 2.466 2.553 . 0 0 "[ . 1 . 2]" 1
736 1 55 THR H 1 55 THR MG . . 4.730 3.793 3.778 3.801 . 0 0 "[ . 1 . 2]" 1
737 1 55 THR H 1 56 LEU H . . 2.710 2.590 2.529 2.667 . 0 0 "[ . 1 . 2]" 1
738 1 55 THR HA 1 55 THR MG . . 3.680 2.416 2.393 2.433 . 0 0 "[ . 1 . 2]" 1
739 1 55 THR HA 1 56 LEU H . . 3.450 3.512 3.503 3.522 0.072 17 0 "[ . 1 . 2]" 1
740 1 55 THR HA 1 58 GLU H . . 3.170 3.044 2.880 3.148 . 0 0 "[ . 1 . 2]" 1
741 1 55 THR HA 1 58 GLU QB . . 3.240 2.240 2.214 2.300 . 0 0 "[ . 1 . 2]" 1
742 1 55 THR HA 1 59 MET H . . 3.300 3.488 3.467 3.511 0.211 14 0 "[ . 1 . 2]" 1
743 1 55 THR HA 1 59 MET ME . . 6.530 4.215 4.073 4.297 . 0 0 "[ . 1 . 2]" 1
744 1 55 THR HB 1 56 LEU H . . 3.050 2.800 2.750 2.938 . 0 0 "[ . 1 . 2]" 1
745 1 55 THR HB 1 59 MET ME . . 6.530 3.683 3.474 3.817 . 0 0 "[ . 1 . 2]" 1
746 1 55 THR HB 1 115 HIS HE1 . . 3.730 3.066 2.999 3.238 . 0 0 "[ . 1 . 2]" 1
747 1 55 THR MG 1 56 LEU H . . 4.300 3.549 3.535 3.573 . 0 0 "[ . 1 . 2]" 1
748 1 55 THR MG 1 58 GLU H . . 5.540 4.432 4.281 4.520 . 0 0 "[ . 1 . 2]" 1
749 1 55 THR MG 1 58 GLU QB . . 5.330 3.359 3.120 3.514 . 0 0 "[ . 1 . 2]" 1
750 1 55 THR MG 1 59 MET H . . 5.100 3.581 3.469 3.654 . 0 0 "[ . 1 . 2]" 1
751 1 55 THR MG 1 59 MET ME . . 5.850 2.065 2.019 2.109 . 0 0 "[ . 1 . 2]" 1
752 1 55 THR MG 1 59 MET QG . . 5.330 2.287 2.227 2.363 . 0 0 "[ . 1 . 2]" 1
753 1 55 THR MG 1 115 HIS HE1 . . 5.100 2.513 2.393 2.873 . 0 0 "[ . 1 . 2]" 1
754 1 55 THR O 1 59 MET H . . 2.000 1.817 1.789 1.849 . 0 0 "[ . 1 . 2]" 1
755 1 55 THR O 1 59 MET N . . 3.000 2.824 2.795 2.860 . 0 0 "[ . 1 . 2]" 1
756 1 56 LEU H 1 56 LEU HA . . 2.770 2.821 2.814 2.826 0.056 18 0 "[ . 1 . 2]" 1
757 1 56 LEU H 1 56 LEU HB2 . . 2.860 2.369 2.354 2.385 . 0 0 "[ . 1 . 2]" 1
758 1 56 LEU H 1 56 LEU HB3 . . 2.860 2.739 2.688 2.765 . 0 0 "[ . 1 . 2]" 1
759 1 56 LEU H 1 56 LEU HG . . 4.450 4.506 4.486 4.519 0.069 17 0 "[ . 1 . 2]" 1
760 1 56 LEU H 1 57 LYS H . . 2.710 2.751 2.734 2.782 0.072 6 0 "[ . 1 . 2]" 1
761 1 56 LEU H 1 115 HIS HD2 . . 4.820 3.857 3.662 4.079 . 0 0 "[ . 1 . 2]" 1
762 1 56 LEU HA 1 56 LEU QD . . 4.170 2.147 2.075 2.193 . 0 0 "[ . 1 . 2]" 1
763 1 56 LEU HA 1 57 LYS H . . 3.520 3.557 3.543 3.564 0.044 11 0 "[ . 1 . 2]" 1
764 1 56 LEU HA 1 58 GLU H . . 4.070 4.123 4.100 4.158 0.088 19 0 "[ . 1 . 2]" 1
765 1 56 LEU HA 1 59 MET H . . 3.670 3.761 3.737 3.784 0.114 20 0 "[ . 1 . 2]" 1
766 1 56 LEU HA 1 59 MET HB2 . . 3.640 3.332 3.237 3.376 . 0 0 "[ . 1 . 2]" 1
767 1 56 LEU HA 1 115 HIS HD2 . . 4.320 3.649 3.367 3.943 . 0 0 "[ . 1 . 2]" 1
768 1 56 LEU HB2 1 57 LYS H . . 3.760 3.603 3.572 3.633 . 0 0 "[ . 1 . 2]" 1
769 1 56 LEU HB3 1 57 LYS H . . 2.900 2.371 2.321 2.422 . 0 0 "[ . 1 . 2]" 1
770 1 56 LEU QD 1 57 LYS H . . 4.170 3.189 3.026 3.274 . 0 0 "[ . 1 . 2]" 1
771 1 56 LEU QD 1 60 PHE H . . 5.100 3.340 3.268 3.415 . 0 0 "[ . 1 . 2]" 1
772 1 56 LEU QD 1 60 PHE HB2 . . 5.880 2.053 2.013 2.082 . 0 0 "[ . 1 . 2]" 1
773 1 56 LEU QD 1 60 PHE QD . . 3.920 2.027 1.965 2.152 . 0 0 "[ . 1 . 2]" 1
774 1 56 LEU QD 1 63 GLU H . . 4.700 3.978 3.925 4.035 . 0 0 "[ . 1 . 2]" 1
775 1 56 LEU QD 1 64 ALA H . . 5.470 4.538 4.392 4.563 . 0 0 "[ . 1 . 2]" 1
776 1 56 LEU QD 1 64 ALA MB . . 5.850 3.671 3.209 3.768 . 0 0 "[ . 1 . 2]" 1
777 1 56 LEU QD 1 115 HIS HD2 . . 4.170 2.295 2.190 2.392 . 0 0 "[ . 1 . 2]" 1
778 1 56 LEU O 1 60 PHE H . . 2.000 1.827 1.811 1.856 . 0 0 "[ . 1 . 2]" 1
779 1 56 LEU O 1 60 PHE N . . 3.000 2.771 2.741 2.805 . 0 0 "[ . 1 . 2]" 1
780 1 57 LYS H 1 57 LYS QB . . 3.490 2.373 2.138 2.656 . 0 0 "[ . 1 . 2]" 1
781 1 57 LYS H 1 58 GLU H . . 2.860 2.745 2.673 2.817 . 0 0 "[ . 1 . 2]" 1
782 1 57 LYS HA 1 58 GLU H . . 3.420 3.447 3.428 3.464 0.044 8 0 "[ . 1 . 2]" 1
783 1 57 LYS HA 1 60 PHE H . . 3.670 3.793 3.759 3.834 0.164 14 0 "[ . 1 . 2]" 1
784 1 57 LYS HA 1 64 ALA MB . . 4.450 2.313 2.122 2.679 . 0 0 "[ . 1 . 2]" 1
785 1 57 LYS QB 1 58 GLU H . . 3.250 2.910 2.806 3.037 . 0 0 "[ . 1 . 2]" 1
786 1 57 LYS HB2 1 58 GLU H . . 3.550 3.013 2.874 3.206 . 0 0 "[ . 1 . 2]" 1
787 1 57 LYS HB3 1 58 GLU H . . 3.550 3.862 3.750 3.922 0.372 14 0 "[ . 1 . 2]" 1
788 1 58 GLU H 1 58 GLU HA . . 2.710 2.884 2.870 2.907 0.197 9 0 "[ . 1 . 2]" 1
789 1 58 GLU H 1 58 GLU QB . . 2.950 2.388 2.333 2.496 . 0 0 "[ . 1 . 2]" 1
790 1 58 GLU H 1 58 GLU HG2 . . 3.300 2.911 2.737 3.892 0.592 19 2 "[ . -1 . +2]" 1
791 1 58 GLU H 1 58 GLU QG . . 3.110 2.700 2.555 2.763 . 0 0 "[ . 1 . 2]" 1
792 1 58 GLU H 1 58 GLU HG3 . . 3.300 3.478 2.737 3.725 0.425 8 0 "[ . 1 . 2]" 1
793 1 58 GLU H 1 59 MET H . . 2.550 2.598 2.583 2.625 0.075 14 0 "[ . 1 . 2]" 1
794 1 58 GLU H 1 60 PHE H . . 3.830 3.934 3.920 3.961 0.131 14 0 "[ . 1 . 2]" 1
795 1 58 GLU HA 1 58 GLU HG2 . . 3.420 2.612 2.524 2.802 . 0 0 "[ . 1 . 2]" 1
796 1 58 GLU HA 1 58 GLU QG . . 3.160 2.553 2.486 2.616 . 0 0 "[ . 1 . 2]" 1
797 1 58 GLU HA 1 58 GLU HG3 . . 3.420 3.675 3.074 3.762 0.342 16 0 "[ . 1 . 2]" 1
798 1 58 GLU HA 1 59 MET H . . 3.610 3.636 3.627 3.644 0.034 17 0 "[ . 1 . 2]" 1
799 1 58 GLU QB 1 58 GLU QG . . 2.400 2.179 2.158 2.229 . 0 0 "[ . 1 . 2]" 1
800 1 59 MET H 1 59 MET HA . . 2.680 2.830 2.813 2.840 0.160 14 0 "[ . 1 . 2]" 1
801 1 59 MET H 1 59 MET HB2 . . 2.860 2.540 2.504 2.603 . 0 0 "[ . 1 . 2]" 1
802 1 59 MET H 1 59 MET HB3 . . 3.450 3.565 3.557 3.571 0.121 8 0 "[ . 1 . 2]" 1
803 1 59 MET H 1 59 MET ME . . 4.450 3.442 3.396 3.476 . 0 0 "[ . 1 . 2]" 1
804 1 59 MET H 1 59 MET HG2 . . 3.420 3.359 3.316 3.412 . 0 0 "[ . 1 . 2]" 1
805 1 59 MET H 1 59 MET QG . . 3.210 2.163 2.117 2.230 . 0 0 "[ . 1 . 2]" 1
806 1 59 MET H 1 59 MET HG3 . . 3.420 2.189 2.142 2.260 . 0 0 "[ . 1 . 2]" 1
807 1 59 MET H 1 60 PHE H . . 2.710 2.752 2.723 2.771 0.061 2 0 "[ . 1 . 2]" 1
808 1 59 MET HA 1 59 MET HG2 . . 3.420 2.834 2.812 2.882 . 0 0 "[ . 1 . 2]" 1
809 1 59 MET HA 1 59 MET QG . . 3.160 2.681 2.667 2.715 . 0 0 "[ . 1 . 2]" 1
810 1 59 MET HA 1 59 MET HG3 . . 3.420 3.310 3.294 3.324 . 0 0 "[ . 1 . 2]" 1
811 1 59 MET HA 1 60 PHE H . . 3.520 3.610 3.599 3.620 0.100 16 0 "[ . 1 . 2]" 1
812 1 59 MET HB2 1 60 PHE H . . 3.240 2.313 2.305 2.325 . 0 0 "[ . 1 . 2]" 1
813 1 59 MET HB2 1 60 PHE QD . . 4.450 2.635 2.265 2.821 . 0 0 "[ . 1 . 2]" 1
814 1 59 MET HB3 1 60 PHE H . . 3.520 3.548 3.531 3.564 0.044 11 0 "[ . 1 . 2]" 1
815 1 59 MET HB3 1 60 PHE QD . . 5.220 3.930 3.490 4.100 . 0 0 "[ . 1 . 2]" 1
816 1 59 MET ME 1 60 PHE H . . 4.420 3.605 3.537 3.640 . 0 0 "[ . 1 . 2]" 1
817 1 59 MET ME 1 60 PHE QD . . 6.250 2.298 2.122 2.430 . 0 0 "[ . 1 . 2]" 1
818 1 59 MET ME 1 115 HIS HA . . 5.880 4.221 3.822 4.608 . 0 0 "[ . 1 . 2]" 1
819 1 59 MET ME 1 115 HIS HB2 . . 5.880 3.623 3.339 4.004 . 0 0 "[ . 1 . 2]" 1
820 1 59 MET ME 1 115 HIS QB . . 5.610 3.503 3.241 3.846 . 0 0 "[ . 1 . 2]" 1
821 1 59 MET ME 1 115 HIS HB3 . . 5.880 4.652 4.385 4.970 . 0 0 "[ . 1 . 2]" 1
822 1 59 MET ME 1 115 HIS HD2 . . 4.760 3.899 3.632 4.041 . 0 0 "[ . 1 . 2]" 1
823 1 59 MET ME 1 115 HIS HE1 . . 5.880 2.780 2.562 2.957 . 0 0 "[ . 1 . 2]" 1
824 1 59 MET QG 1 60 PHE H . . 4.950 3.987 3.941 4.028 . 0 0 "[ . 1 . 2]" 1
825 1 60 PHE H 1 60 PHE HA . . 2.860 2.911 2.898 2.926 0.066 14 0 "[ . 1 . 2]" 1
826 1 60 PHE H 1 60 PHE HB2 . . 2.900 2.430 2.380 2.463 . 0 0 "[ . 1 . 2]" 1
827 1 60 PHE H 1 60 PHE HB3 . . 3.300 3.511 3.483 3.524 0.224 10 0 "[ . 1 . 2]" 1
828 1 60 PHE H 1 60 PHE QD . . 3.080 2.697 2.530 2.842 . 0 0 "[ . 1 . 2]" 1
829 1 60 PHE H 1 61 PRO HD2 . . 5.500 4.943 4.911 4.975 . 0 0 "[ . 1 . 2]" 1
830 1 60 PHE H 1 61 PRO HD3 . . 4.200 4.232 4.208 4.273 0.073 12 0 "[ . 1 . 2]" 1
831 1 60 PHE HA 1 60 PHE QD . . 3.730 2.962 2.811 3.146 . 0 0 "[ . 1 . 2]" 1
832 1 60 PHE HA 1 61 PRO HD2 . . 3.140 2.690 2.666 2.721 . 0 0 "[ . 1 . 2]" 1
833 1 60 PHE HA 1 61 PRO HD3 . . 3.730 3.016 2.976 3.067 . 0 0 "[ . 1 . 2]" 1
834 1 60 PHE HA 1 62 ILE H . . 3.610 3.431 3.305 3.615 0.005 19 0 "[ . 1 . 2]" 1
835 1 61 PRO HA 1 62 ILE H . . 3.420 3.442 3.429 3.466 0.046 19 0 "[ . 1 . 2]" 1
836 1 61 PRO HA 1 64 ALA H . . 3.360 3.367 3.314 3.417 0.057 14 0 "[ . 1 . 2]" 1
837 1 61 PRO HA 1 64 ALA MB . . 6.530 2.527 2.374 2.919 . 0 0 "[ . 1 . 2]" 1
838 1 61 PRO QB 1 62 ILE H . . 3.970 3.589 3.529 3.622 . 0 0 "[ . 1 . 2]" 1
839 1 61 PRO HD2 1 62 ILE H . . 3.420 2.332 2.288 2.403 . 0 0 "[ . 1 . 2]" 1
840 1 61 PRO HD2 1 63 GLU H . . 4.320 4.452 4.418 4.484 0.164 7 0 "[ . 1 . 2]" 1
841 1 61 PRO HD3 1 62 ILE H . . 4.070 3.663 3.627 3.734 . 0 0 "[ . 1 . 2]" 1
842 1 62 ILE H 1 62 ILE HA . . 2.860 2.854 2.834 2.885 0.025 19 0 "[ . 1 . 2]" 1
843 1 62 ILE H 1 62 ILE HB . . 2.400 2.464 2.449 2.478 0.078 6 0 "[ . 1 . 2]" 1
844 1 62 ILE H 1 62 ILE MD . . 4.170 3.056 3.022 3.133 . 0 0 "[ . 1 . 2]" 1
845 1 62 ILE H 1 62 ILE HG12 . . 3.140 2.116 2.097 2.151 . 0 0 "[ . 1 . 2]" 1
846 1 62 ILE H 1 62 ILE QG . . 2.870 2.101 2.084 2.136 . 0 0 "[ . 1 . 2]" 1
847 1 62 ILE H 1 62 ILE HG13 . . 3.140 3.587 3.574 3.609 0.469 12 0 "[ . 1 . 2]" 1
848 1 62 ILE H 1 62 ILE MG . . 4.330 3.701 3.694 3.709 . 0 0 "[ . 1 . 2]" 1
849 1 62 ILE H 1 63 GLU H . . 2.860 2.530 2.478 2.564 . 0 0 "[ . 1 . 2]" 1
850 1 62 ILE H 1 64 ALA H . . 3.610 3.611 3.502 3.664 0.054 14 0 "[ . 1 . 2]" 1
851 1 62 ILE HA 1 63 GLU H . . 3.520 3.593 3.575 3.615 0.095 17 0 "[ . 1 . 2]" 1
852 1 62 ILE HA 1 64 ALA H . . 3.450 3.485 3.383 3.552 0.102 9 0 "[ . 1 . 2]" 1
853 1 62 ILE HA 1 65 GLY H . . 4.040 3.468 3.362 3.653 . 0 0 "[ . 1 . 2]" 1
854 1 62 ILE HA 1 66 ALA H . . 3.170 2.343 2.302 2.416 . 0 0 "[ . 1 . 2]" 1
855 1 62 ILE HA 1 67 ILE H . . 4.070 4.116 4.083 4.155 0.085 19 0 "[ . 1 . 2]" 1
856 1 62 ILE HB 1 63 GLU H . . 2.550 2.408 2.380 2.441 . 0 0 "[ . 1 . 2]" 1
857 1 62 ILE HB 1 64 ALA H . . 5.500 4.407 4.334 4.480 . 0 0 "[ . 1 . 2]" 1
858 1 62 ILE HB 1 66 ALA H . . 4.480 4.639 4.627 4.653 0.173 4 0 "[ . 1 . 2]" 1
859 1 62 ILE MD 1 66 ALA MB . . 7.560 3.002 2.924 3.122 . 0 0 "[ . 1 . 2]" 1
860 1 62 ILE HG12 1 63 GLU H . . 4.450 4.043 3.987 4.088 . 0 0 "[ . 1 . 2]" 1
861 1 62 ILE HG13 1 63 GLU H . . 4.450 4.792 4.750 4.831 0.381 2 0 "[ . 1 . 2]" 1
862 1 62 ILE MG 1 63 GLU H . . 4.020 3.395 3.377 3.402 . 0 0 "[ . 1 . 2]" 1
863 1 62 ILE MG 1 63 GLU HA . . 6.530 3.423 3.282 3.563 . 0 0 "[ . 1 . 2]" 1
864 1 62 ILE MG 1 65 GLY H . . 5.470 4.289 4.180 4.412 . 0 0 "[ . 1 . 2]" 1
865 1 62 ILE MG 1 66 ALA H . . 5.100 3.016 2.939 3.096 . 0 0 "[ . 1 . 2]" 1
866 1 62 ILE MG 1 66 ALA MB . . 7.560 1.903 1.875 1.926 . 0 0 "[ . 1 . 2]" 1
867 1 62 ILE MG 1 67 ILE H . . 4.640 3.679 3.669 3.696 . 0 0 "[ . 1 . 2]" 1
868 1 63 GLU H 1 63 GLU QB . . 3.430 2.317 2.135 2.443 . 0 0 "[ . 1 . 2]" 1
869 1 63 GLU H 1 64 ALA H . . 3.050 2.638 2.563 2.726 . 0 0 "[ . 1 . 2]" 1
870 1 63 GLU H 1 67 ILE MD . . 5.630 4.240 4.068 4.470 . 0 0 "[ . 1 . 2]" 1
871 1 63 GLU HA 1 64 ALA H . . 3.420 3.380 3.316 3.434 0.014 14 0 "[ . 1 . 2]" 1
872 1 63 GLU HA 1 67 ILE QG . . 6.380 2.681 2.524 3.077 . 0 0 "[ . 1 . 2]" 1
873 1 63 GLU QB 1 64 ALA H . . 4.430 3.341 3.176 3.539 . 0 0 "[ . 1 . 2]" 1
874 1 64 ALA H 1 64 ALA HA . . 2.860 2.914 2.899 2.926 0.066 9 0 "[ . 1 . 2]" 1
875 1 64 ALA H 1 64 ALA MB . . 3.460 2.443 2.322 2.575 . 0 0 "[ . 1 . 2]" 1
876 1 64 ALA H 1 65 GLY H . . 2.860 2.468 2.295 2.655 . 0 0 "[ . 1 . 2]" 1
877 1 64 ALA H 1 66 ALA H . . 3.700 3.799 3.756 3.865 0.165 2 0 "[ . 1 . 2]" 1
878 1 64 ALA HA 1 65 GLY H . . 3.300 2.854 2.745 2.976 . 0 0 "[ . 1 . 2]" 1
879 1 64 ALA HA 1 67 ILE H . . 4.260 4.352 4.282 4.389 0.129 17 0 "[ . 1 . 2]" 1
880 1 64 ALA HA 1 68 ASN H . . 4.200 4.225 4.147 4.264 0.064 6 0 "[ . 1 . 2]" 1
881 1 64 ALA HA 1 68 ASN QD . . 4.600 2.212 2.111 2.317 . 0 0 "[ . 1 . 2]" 1
882 1 64 ALA MB 1 65 GLY H . . 4.260 3.633 3.596 3.656 . 0 0 "[ . 1 . 2]" 1
883 1 65 GLY H 1 65 GLY HA2 . . 2.800 2.882 2.856 2.907 0.107 1 0 "[ . 1 . 2]" 1
884 1 65 GLY H 1 65 GLY HA3 . . 2.620 2.690 2.648 2.732 0.112 4 0 "[ . 1 . 2]" 1
885 1 65 GLY H 1 66 ALA H . . 2.710 2.176 2.117 2.246 . 0 0 "[ . 1 . 2]" 1
886 1 65 GLY H 1 66 ALA MB . . 6.530 4.067 4.020 4.111 . 0 0 "[ . 1 . 2]" 1
887 1 65 GLY H 1 67 ILE H . . 3.610 2.185 2.140 2.271 . 0 0 "[ . 1 . 2]" 1
888 1 65 GLY H 1 67 ILE HB . . 3.790 3.833 3.688 3.892 0.102 4 0 "[ . 1 . 2]" 1
889 1 65 GLY H 1 69 PRO QD . . 5.420 4.359 4.226 4.560 . 0 0 "[ . 1 . 2]" 1
890 1 65 GLY HA2 1 66 ALA H . . 3.580 3.616 3.607 3.622 0.042 17 0 "[ . 1 . 2]" 1
891 1 65 GLY HA2 1 68 ASN H . . 3.550 3.600 3.564 3.625 0.075 14 0 "[ . 1 . 2]" 1
892 1 65 GLY HA2 1 68 ASN QD . . 5.500 4.845 4.811 4.899 . 0 0 "[ . 1 . 2]" 1
893 1 65 GLY HA3 1 66 ALA H . . 2.960 2.696 2.661 2.750 . 0 0 "[ . 1 . 2]" 1
894 1 65 GLY HA3 1 67 ILE H . . 4.070 4.141 4.126 4.166 0.096 13 0 "[ . 1 . 2]" 1
895 1 65 GLY HA3 1 68 ASN H . . 4.660 4.471 4.449 4.494 . 0 0 "[ . 1 . 2]" 1
896 1 66 ALA H 1 66 ALA HA . . 2.740 2.919 2.910 2.929 0.189 13 0 "[ . 1 . 2]" 1
897 1 66 ALA H 1 66 ALA MB . . 3.430 2.359 2.321 2.385 . 0 0 "[ . 1 . 2]" 1
898 1 66 ALA H 1 67 ILE H . . 2.860 2.155 2.131 2.178 . 0 0 "[ . 1 . 2]" 1
899 1 66 ALA H 1 67 ILE HB . . 4.540 4.499 4.392 4.544 0.004 4 0 "[ . 1 . 2]" 1
900 1 66 ALA H 1 67 ILE QG . . 6.100 3.497 3.420 3.602 . 0 0 "[ . 1 . 2]" 1
901 1 66 ALA H 1 68 ASN H . . 3.610 3.663 3.644 3.684 0.074 19 0 "[ . 1 . 2]" 1
902 1 66 ALA H 1 69 PRO QD . . 5.640 4.550 4.482 4.628 . 0 0 "[ . 1 . 2]" 1
903 1 66 ALA HA 1 67 ILE H . . 3.240 3.352 3.334 3.368 0.128 18 0 "[ . 1 . 2]" 1
904 1 66 ALA HA 1 68 ASN H . . 3.670 3.774 3.741 3.802 0.132 13 0 "[ . 1 . 2]" 1
905 1 67 ILE H 1 67 ILE HB . . 2.710 2.656 2.594 2.689 . 0 0 "[ . 1 . 2]" 1
906 1 67 ILE H 1 67 ILE MD . . 4.880 4.022 3.922 4.108 . 0 0 "[ . 1 . 2]" 1
907 1 67 ILE H 1 67 ILE HG12 . . 3.420 3.483 3.333 3.627 0.207 13 0 "[ . 1 . 2]" 1
908 1 67 ILE H 1 67 ILE QG . . 3.030 2.484 2.344 2.572 . 0 0 "[ . 1 . 2]" 1
909 1 67 ILE H 1 67 ILE HG13 . . 3.420 2.543 2.395 2.633 . 0 0 "[ . 1 . 2]" 1
910 1 67 ILE H 1 68 ASN H . . 2.400 2.203 2.126 2.328 . 0 0 "[ . 1 . 2]" 1
911 1 67 ILE H 1 69 PRO QD . . 4.300 3.729 3.502 3.789 . 0 0 "[ . 1 . 2]" 1
912 1 67 ILE HA 1 68 ASN H . . 3.080 3.146 3.120 3.175 0.095 13 0 "[ . 1 . 2]" 1
913 1 67 ILE HA 1 70 GLU H . . 4.510 4.378 4.207 4.565 0.055 17 0 "[ . 1 . 2]" 1
914 1 67 ILE HA 1 71 ASN H . . 3.450 3.497 3.455 3.543 0.093 3 0 "[ . 1 . 2]" 1
915 1 67 ILE HB 1 68 ASN H . . 3.760 3.762 3.677 3.798 0.038 19 0 "[ . 1 . 2]" 1
916 1 67 ILE HB 1 68 ASN QD . . 4.690 3.881 3.855 3.898 . 0 0 "[ . 1 . 2]" 1
917 1 67 ILE HB 1 71 ASN QD . . 6.370 4.999 4.385 5.494 . 0 0 "[ . 1 . 2]" 1
918 1 67 ILE HB 1 108 THR MG . . 4.760 3.873 3.598 3.980 . 0 0 "[ . 1 . 2]" 1
919 1 67 ILE QG 1 68 ASN H . . 4.870 4.160 4.115 4.196 . 0 0 "[ . 1 . 2]" 1
920 1 67 ILE HG12 1 68 ASN H . . 5.130 4.881 4.820 4.963 . 0 0 "[ . 1 . 2]" 1
921 1 67 ILE HG13 1 68 ASN H . . 5.130 4.511 4.441 4.563 . 0 0 "[ . 1 . 2]" 1
922 1 67 ILE MG 1 68 ASN H . . 5.130 4.279 4.262 4.295 . 0 0 "[ . 1 . 2]" 1
923 1 68 ASN H 1 68 ASN HB2 . . 3.050 2.344 2.288 2.396 . 0 0 "[ . 1 . 2]" 1
924 1 68 ASN H 1 68 ASN QB . . 2.820 2.302 2.253 2.347 . 0 0 "[ . 1 . 2]" 1
925 1 68 ASN H 1 68 ASN HB3 . . 3.050 3.370 3.264 3.472 0.422 10 0 "[ . 1 . 2]" 1
926 1 68 ASN H 1 69 PRO HD2 . . 3.420 2.280 2.111 2.907 . 0 0 "[ . 1 . 2]" 1
927 1 68 ASN H 1 69 PRO QD . . 3.160 2.135 2.050 2.194 . 0 0 "[ . 1 . 2]" 1
928 1 68 ASN H 1 69 PRO HD3 . . 3.420 2.740 2.095 2.938 . 0 0 "[ . 1 . 2]" 1
929 1 68 ASN H 1 74 ILE MD . . 5.040 4.294 4.239 4.320 . 0 0 "[ . 1 . 2]" 1
930 1 68 ASN HA 1 69 PRO HD2 . . 4.010 3.993 3.931 4.078 0.068 2 0 "[ . 1 . 2]" 1
931 1 68 ASN HA 1 69 PRO QD . . 3.790 3.561 3.531 3.571 . 0 0 "[ . 1 . 2]" 1
932 1 68 ASN HA 1 69 PRO HD3 . . 4.010 4.006 3.895 4.069 0.059 18 0 "[ . 1 . 2]" 1
933 1 68 ASN QD 1 69 PRO QD . . 6.380 4.499 4.370 4.585 . 0 0 "[ . 1 . 2]" 1
934 1 69 PRO HA 1 70 GLU H . . 3.360 3.489 3.466 3.506 0.146 2 0 "[ . 1 . 2]" 1
935 1 69 PRO HA 1 71 ASN H . . 4.200 4.263 4.240 4.280 0.080 17 0 "[ . 1 . 2]" 1
936 1 69 PRO HA 1 72 ARG H . . 3.700 3.791 3.755 3.810 0.110 11 0 "[ . 1 . 2]" 1
937 1 69 PRO QB 1 70 GLU H . . 3.400 2.943 2.530 3.035 . 0 0 "[ . 1 . 2]" 1
938 1 69 PRO HB2 1 70 GLU H . . 3.580 3.042 2.580 3.152 . 0 0 "[ . 1 . 2]" 1
939 1 69 PRO HB3 1 70 GLU H . . 3.580 3.918 3.661 3.961 0.381 6 0 "[ . 1 . 2]" 1
940 1 69 PRO QD 1 70 GLU H . . 3.660 2.436 2.116 2.562 . 0 0 "[ . 1 . 2]" 1
941 1 69 PRO QD 1 71 ASN H . . 4.720 3.595 2.712 3.807 . 0 0 "[ . 1 . 2]" 1
942 1 69 PRO HD2 1 70 GLU H . . 4.070 2.469 2.132 2.603 . 0 0 "[ . 1 . 2]" 1
943 1 69 PRO HD2 1 71 ASN H . . 5.440 3.689 2.741 3.927 . 0 0 "[ . 1 . 2]" 1
944 1 69 PRO HD3 1 70 GLU H . . 4.070 3.745 3.529 3.826 . 0 0 "[ . 1 . 2]" 1
945 1 69 PRO HD3 1 71 ASN H . . 5.440 4.995 4.327 5.163 . 0 0 "[ . 1 . 2]" 1
946 1 69 PRO QG 1 70 GLU H . . 5.260 2.037 1.921 2.102 . 0 0 "[ . 1 . 2]" 1
947 1 69 PRO QG 1 71 ASN H . . 6.380 4.346 4.088 4.445 . 0 0 "[ . 1 . 2]" 1
948 1 70 GLU H 1 70 GLU HB2 . . 3.450 3.353 2.205 3.658 0.208 16 0 "[ . 1 . 2]" 1
949 1 70 GLU H 1 70 GLU QB . . 3.080 2.483 2.182 2.680 . 0 0 "[ . 1 . 2]" 1
950 1 70 GLU H 1 70 GLU HB3 . . 3.450 2.788 2.402 3.496 0.046 20 0 "[ . 1 . 2]" 1
951 1 70 GLU H 1 70 GLU HG2 . . 3.700 3.125 2.003 4.102 0.402 14 0 "[ . 1 . 2]" 1
952 1 70 GLU H 1 70 GLU QG . . 3.440 2.399 1.990 2.962 . 0 0 "[ . 1 . 2]" 1
953 1 70 GLU H 1 70 GLU HG3 . . 3.700 2.734 2.291 3.431 . 0 0 "[ . 1 . 2]" 1
954 1 70 GLU H 1 71 ASN H . . 2.710 2.553 2.482 2.658 . 0 0 "[ . 1 . 2]" 1
955 1 70 GLU H 1 72 ARG H . . 4.290 4.321 4.301 4.348 0.058 9 0 "[ . 1 . 2]" 1
956 1 70 GLU HA 1 70 GLU HB2 . . 2.900 2.725 2.530 3.085 0.185 18 0 "[ . 1 . 2]" 1
957 1 70 GLU HA 1 70 GLU QB . . 2.670 2.413 2.339 2.632 . 0 0 "[ . 1 . 2]" 1
958 1 70 GLU HA 1 70 GLU HB3 . . 2.900 2.703 2.603 2.858 . 0 0 "[ . 1 . 2]" 1
959 1 70 GLU HA 1 71 ASN H . . 3.450 3.458 3.413 3.508 0.058 14 0 "[ . 1 . 2]" 1
960 1 70 GLU HA 1 72 ARG H . . 3.790 3.824 3.770 3.867 0.077 6 0 "[ . 1 . 2]" 1
961 1 70 GLU HA 1 73 ILE MD . . 6.530 5.105 4.558 5.470 . 0 0 "[ . 1 . 2]" 1
962 1 70 GLU QB 1 70 GLU QG . . 2.360 2.151 2.113 2.203 . 0 0 "[ . 1 . 2]" 1
963 1 70 GLU QB 1 71 ASN H . . 3.710 3.339 2.819 3.489 . 0 0 "[ . 1 . 2]" 1
964 1 70 GLU HB2 1 70 GLU HG2 . . 2.900 2.929 2.690 3.129 0.229 11 0 "[ . 1 . 2]" 1
965 1 70 GLU HB2 1 70 GLU HG3 . . 2.900 2.878 2.446 3.123 0.223 19 0 "[ . 1 . 2]" 1
966 1 70 GLU HB2 1 71 ASN H . . 3.890 3.695 3.033 4.004 0.114 19 0 "[ . 1 . 2]" 1
967 1 70 GLU HB3 1 70 GLU HG2 . . 2.900 2.449 2.328 2.746 . 0 0 "[ . 1 . 2]" 1
968 1 70 GLU HB3 1 70 GLU HG3 . . 2.900 2.961 2.741 3.117 0.217 13 0 "[ . 1 . 2]" 1
969 1 70 GLU HB3 1 71 ASN H . . 3.890 3.827 3.350 4.056 0.166 13 0 "[ . 1 . 2]" 1
970 1 70 GLU QG 1 71 ASN H . . 5.690 2.484 1.848 4.450 . 0 0 "[ . 1 . 2]" 1
971 1 70 GLU QG 1 73 ILE MD . . 7.410 5.402 5.236 5.514 . 0 0 "[ . 1 . 2]" 1
972 1 71 ASN H 1 71 ASN HB2 . . 2.590 2.629 2.462 2.733 0.143 7 0 "[ . 1 . 2]" 1
973 1 71 ASN H 1 71 ASN HB3 . . 3.110 3.021 2.687 3.193 0.083 18 0 "[ . 1 . 2]" 1
974 1 71 ASN H 1 72 ARG H . . 2.860 2.899 2.832 2.973 0.113 19 0 "[ . 1 . 2]" 1
975 1 71 ASN HA 1 71 ASN HB2 . . 2.900 2.848 2.769 2.919 0.019 5 0 "[ . 1 . 2]" 1
976 1 71 ASN HA 1 71 ASN HB3 . . 2.900 3.014 2.960 3.067 0.167 2 0 "[ . 1 . 2]" 1
977 1 71 ASN HA 1 71 ASN HD22 . . 5.500 4.335 4.027 4.602 . 0 0 "[ . 1 . 2]" 1
978 1 71 ASN HB2 1 71 ASN QD . . 3.410 2.847 2.121 3.174 . 0 0 "[ . 1 . 2]" 1
979 1 71 ASN HB2 1 71 ASN HD22 . . 3.860 3.830 3.471 3.989 0.129 14 0 "[ . 1 . 2]" 1
980 1 71 ASN HB2 1 72 ARG H . . 4.570 4.596 4.571 4.620 0.050 17 0 "[ . 1 . 2]" 1
981 1 71 ASN HB3 1 71 ASN HD22 . . 3.860 3.548 3.427 3.963 0.103 19 0 "[ . 1 . 2]" 1
982 1 71 ASN HB3 1 72 ARG H . . 4.510 4.330 4.226 4.414 . 0 0 "[ . 1 . 2]" 1
983 1 71 ASN QD 1 106 LEU MD1 . . 5.970 4.110 3.576 4.358 . 0 0 "[ . 1 . 2]" 1
984 1 71 ASN QD 1 106 LEU QD . . 7.450 2.779 2.072 3.161 . 0 0 "[ . 1 . 2]" 1
985 1 72 ARG H 1 72 ARG QB . . 3.430 2.361 2.165 2.567 . 0 0 "[ . 1 . 2]" 1
986 1 72 ARG H 1 73 ILE H . . 3.890 3.571 3.237 3.795 . 0 0 "[ . 1 . 2]" 1
987 1 72 ARG HA 1 73 ILE H . . 3.140 2.582 2.446 2.918 . 0 0 "[ . 1 . 2]" 1
988 1 72 ARG HA 1 73 ILE MD . . 6.530 3.927 3.747 4.110 . 0 0 "[ . 1 . 2]" 1
989 1 72 ARG HA 1 74 ILE H . . 3.240 3.249 3.039 3.319 0.079 10 0 "[ . 1 . 2]" 1
990 1 72 ARG QB 1 74 ILE H . . 6.310 4.954 4.669 5.150 . 0 0 "[ . 1 . 2]" 1
991 1 73 ILE H 1 73 ILE MD . . 4.510 2.559 2.204 2.911 . 0 0 "[ . 1 . 2]" 1
992 1 73 ILE H 1 74 ILE H . . 3.240 2.019 1.712 2.677 . 0 0 "[ . 1 . 2]" 1
993 1 73 ILE H 1 74 ILE HB . . 3.980 4.009 3.871 4.050 0.070 16 0 "[ . 1 . 2]" 1
994 1 73 ILE H 1 74 ILE MD . . 5.320 3.664 3.343 4.122 . 0 0 "[ . 1 . 2]" 1
995 1 73 ILE H 1 74 ILE MG . . 6.160 5.080 4.952 5.214 . 0 0 "[ . 1 . 2]" 1
996 1 74 ILE H 1 74 ILE HB . . 2.860 2.506 2.411 2.685 . 0 0 "[ . 1 . 2]" 1
997 1 74 ILE H 1 74 ILE MD . . 4.760 3.296 2.894 3.824 . 0 0 "[ . 1 . 2]" 1
998 1 74 ILE H 1 74 ILE MG . . 4.760 3.778 3.710 3.885 . 0 0 "[ . 1 . 2]" 1
999 1 74 ILE MD 1 75 PRO QD . . 6.500 4.756 4.623 4.817 . 0 0 "[ . 1 . 2]" 1
1000 1 74 ILE MD 1 76 HIS HD2 . . 6.530 4.427 2.849 5.332 . 0 0 "[ . 1 . 2]" 1
1001 1 74 ILE MG 1 75 PRO QB . . 7.400 4.338 4.262 4.527 . 0 0 "[ . 1 . 2]" 1
1002 1 74 ILE MG 1 75 PRO QD . . 6.350 2.074 1.952 2.186 . 0 0 "[ . 1 . 2]" 1
1003 1 74 ILE MG 1 99 TYR QE . . 5.100 3.168 2.791 3.476 . 0 0 "[ . 1 . 2]" 1
1004 1 75 PRO HA 1 76 HIS H . . 2.550 2.500 2.370 2.616 0.066 20 0 "[ . 1 . 2]" 1
1005 1 75 PRO HA 1 102 THR MG . . 5.910 4.749 4.709 4.820 . 0 0 "[ . 1 . 2]" 1
1006 1 75 PRO QB 1 76 HIS H . . 4.420 3.514 2.442 4.032 . 0 0 "[ . 1 . 2]" 1
1007 1 75 PRO QD 1 102 THR MG . . 5.980 2.061 1.939 2.165 . 0 0 "[ . 1 . 2]" 1
1008 1 75 PRO QD 1 106 LEU MD2 . . 7.370 3.574 3.152 3.938 . 0 0 "[ . 1 . 2]" 1
1009 1 76 HIS H 1 76 HIS HD2 . . 3.730 3.689 3.289 3.778 0.048 9 0 "[ . 1 . 2]" 1
1010 1 76 HIS HA 1 77 LEU H . . 3.140 2.755 2.482 3.402 0.262 18 0 "[ . 1 . 2]" 1
1011 1 76 HIS QB 1 77 LEU H . . 4.700 3.216 1.880 4.112 . 0 0 "[ . 1 . 2]" 1
1012 1 78 PRO HA 1 79 ALA H . . 2.710 2.582 2.460 2.729 0.019 16 0 "[ . 1 . 2]" 1
1013 1 78 PRO QB 1 79 ALA H . . 3.210 2.213 2.011 2.403 . 0 0 "[ . 1 . 2]" 1
1014 1 78 PRO HB2 1 79 ALA H . . 3.420 2.243 2.027 2.449 . 0 0 "[ . 1 . 2]" 1
1015 1 78 PRO HB3 1 79 ALA H . . 3.420 3.408 3.304 3.517 0.097 4 0 "[ . 1 . 2]" 1
1016 1 79 ALA H 1 80 PRO QD . . 5.320 4.391 4.096 4.500 . 0 0 "[ . 1 . 2]" 1
1017 1 79 ALA H 1 82 TRP HD1 . . 4.820 4.254 2.998 4.862 0.042 10 0 "[ . 1 . 2]" 1
1018 1 79 ALA MB 1 82 TRP HD1 . . 5.100 3.623 2.489 4.106 . 0 0 "[ . 1 . 2]" 1
1019 1 79 ALA MB 1 82 TRP HE1 . . 6.530 3.459 2.461 4.856 . 0 0 "[ . 1 . 2]" 1
1020 1 81 LYS H 1 81 LYS HA . . 2.860 2.851 2.307 2.980 0.120 7 0 "[ . 1 . 2]" 1
1021 1 81 LYS H 1 81 LYS QB . . 3.570 3.110 2.357 3.316 . 0 0 "[ . 1 . 2]" 1
1022 1 81 LYS H 1 82 TRP H . . 3.610 2.196 1.828 3.078 . 0 0 "[ . 1 . 2]" 1
1023 1 81 LYS H 1 82 TRP HA . . 5.250 4.567 4.286 5.303 0.053 14 0 "[ . 1 . 2]" 1
1024 1 81 LYS H 1 82 TRP HD1 . . 5.500 2.851 2.451 4.248 . 0 0 "[ . 1 . 2]" 1
1025 1 81 LYS HA 1 81 LYS QD . . 4.950 3.965 2.328 4.408 . 0 0 "[ . 1 . 2]" 1
1026 1 81 LYS HA 1 82 TRP H . . 3.050 2.912 2.339 3.103 0.053 4 0 "[ . 1 . 2]" 1
1027 1 81 LYS HA 1 84 ASP H . . 3.170 3.252 3.041 3.354 0.184 16 0 "[ . 1 . 2]" 1
1028 1 81 LYS QB 1 82 TRP H . . 4.400 3.999 3.866 4.039 . 0 0 "[ . 1 . 2]" 1
1029 1 81 LYS QD 1 82 TRP HE1 . . 6.130 4.399 2.950 5.444 . 0 0 "[ . 1 . 2]" 1
1030 1 81 LYS QG 1 82 TRP H . . 6.380 3.961 3.664 4.455 . 0 0 "[ . 1 . 2]" 1
1031 1 81 LYS QG 1 82 TRP HE1 . . 6.380 4.369 3.584 5.571 . 0 0 "[ . 1 . 2]" 1
1032 1 82 TRP H 1 82 TRP HB2 . . 3.390 2.538 2.302 3.528 0.138 20 0 "[ . 1 . 2]" 1
1033 1 82 TRP H 1 82 TRP QB . . 3.010 2.405 2.274 2.909 . 0 0 "[ . 1 . 2]" 1
1034 1 82 TRP H 1 82 TRP HB3 . . 3.390 3.494 2.742 3.715 0.325 12 0 "[ . 1 . 2]" 1
1035 1 82 TRP H 1 82 TRP HD1 . . 5.470 2.784 2.240 3.400 . 0 0 "[ . 1 . 2]" 1
1036 1 82 TRP H 1 84 ASP H . . 3.830 3.764 3.113 3.913 0.083 4 0 "[ . 1 . 2]" 1
1037 1 82 TRP HA 1 82 TRP HD1 . . 4.850 3.610 3.019 4.331 . 0 0 "[ . 1 . 2]" 1
1038 1 82 TRP HA 1 82 TRP HE3 . . 4.850 4.151 3.036 4.844 . 0 0 "[ . 1 . 2]" 1
1039 1 82 TRP HA 1 84 ASP H . . 4.660 4.409 3.856 4.670 0.010 17 0 "[ . 1 . 2]" 1
1040 1 84 ASP H 1 84 ASP QB . . 3.420 2.324 2.094 2.642 . 0 0 "[ . 1 . 2]" 1
1041 1 84 ASP H 1 85 GLY H . . 4.110 4.138 4.017 4.211 0.101 12 0 "[ . 1 . 2]" 1
1042 1 84 ASP H 1 88 ALA MB . . 5.320 3.637 2.577 4.259 . 0 0 "[ . 1 . 2]" 1
1043 1 84 ASP HA 1 84 ASP QB . . 2.750 2.477 2.346 2.547 . 0 0 "[ . 1 . 2]" 1
1044 1 84 ASP HA 1 85 GLY H . . 2.960 2.506 2.286 3.113 0.153 10 0 "[ . 1 . 2]" 1
1045 1 84 ASP QB 1 85 GLY H . . 4.490 3.593 1.920 4.109 . 0 0 "[ . 1 . 2]" 1
1046 1 85 GLY H 1 85 GLY HA2 . . 2.710 2.779 2.716 2.915 0.205 16 0 "[ . 1 . 2]" 1
1047 1 85 GLY H 1 85 GLY HA3 . . 2.830 2.804 2.606 2.866 0.036 12 0 "[ . 1 . 2]" 1
1048 1 85 GLY H 1 86 GLN H . . 4.140 3.982 3.127 4.190 0.050 18 0 "[ . 1 . 2]" 1
1049 1 85 GLY H 1 88 ALA HA . . 4.420 4.236 3.963 4.478 0.058 16 0 "[ . 1 . 2]" 1
1050 1 85 GLY H 1 88 ALA MB . . 5.100 2.136 1.876 2.817 . 0 0 "[ . 1 . 2]" 1
1051 1 85 GLY HA2 1 86 GLN H . . 3.300 3.155 2.261 3.461 0.161 16 0 "[ . 1 . 2]" 1
1052 1 85 GLY HA3 1 86 GLN H . . 2.960 2.416 2.266 3.310 0.350 17 0 "[ . 1 . 2]" 1
1053 1 85 GLY HA3 1 87 ARG H . . 3.640 3.555 3.337 3.784 0.144 17 0 "[ . 1 . 2]" 1
1054 1 86 GLN HA 1 87 ARG H . . 3.360 3.424 3.407 3.462 0.102 17 0 "[ . 1 . 2]" 1
1055 1 86 GLN HA 1 88 ALA H . . 3.610 3.648 3.613 3.690 0.080 6 0 "[ . 1 . 2]" 1
1056 1 86 GLN HA 1 89 ALA H . . 3.270 3.184 3.113 3.304 0.034 17 0 "[ . 1 . 2]" 1
1057 1 86 GLN HA 1 89 ALA MB . . 6.530 2.434 2.322 2.694 . 0 0 "[ . 1 . 2]" 1
1058 1 86 GLN HA 1 90 GLU H . . 3.700 3.726 3.591 3.802 0.102 8 0 "[ . 1 . 2]" 1
1059 1 87 ARG H 1 87 ARG HB2 . . 3.240 2.297 2.177 2.710 . 0 0 "[ . 1 . 2]" 1
1060 1 87 ARG H 1 87 ARG QB . . 3.020 2.238 2.156 2.357 . 0 0 "[ . 1 . 2]" 1
1061 1 87 ARG H 1 87 ARG HB3 . . 3.240 3.385 2.446 3.625 0.385 4 0 "[ . 1 . 2]" 1
1062 1 87 ARG H 1 88 ALA H . . 3.050 2.355 2.298 2.400 . 0 0 "[ . 1 . 2]" 1
1063 1 87 ARG H 1 88 ALA MB . . 6.530 4.058 3.940 4.109 . 0 0 "[ . 1 . 2]" 1
1064 1 87 ARG HA 1 87 ARG HB2 . . 3.050 3.028 2.602 3.138 0.088 4 0 "[ . 1 . 2]" 1
1065 1 87 ARG HA 1 87 ARG HB3 . . 3.050 2.815 2.670 3.146 0.096 7 0 "[ . 1 . 2]" 1
1066 1 87 ARG HA 1 88 ALA H . . 3.240 3.293 3.229 3.338 0.098 15 0 "[ . 1 . 2]" 1
1067 1 87 ARG HA 1 89 ALA H . . 3.920 3.964 3.777 4.033 0.113 7 0 "[ . 1 . 2]" 1
1068 1 87 ARG HA 1 90 GLU H . . 3.610 3.372 3.047 3.627 0.017 3 0 "[ . 1 . 2]" 1
1069 1 87 ARG HA 1 90 GLU QB . . 4.120 2.750 2.348 3.337 . 0 0 "[ . 1 . 2]" 1
1070 1 87 ARG HB2 1 88 ALA H . . 3.670 3.636 3.300 4.271 0.601 7 2 "[- . + 1 . 2]" 1
1071 1 87 ARG HB3 1 88 ALA H . . 3.670 3.968 3.465 4.144 0.474 4 0 "[ . 1 . 2]" 1
1072 1 88 ALA H 1 88 ALA HA . . 2.900 2.952 2.928 2.968 0.068 3 0 "[ . 1 . 2]" 1
1073 1 88 ALA H 1 89 ALA H . . 2.550 1.972 1.926 2.001 . 0 0 "[ . 1 . 2]" 1
1074 1 88 ALA HA 1 89 ALA H . . 3.330 3.448 3.393 3.468 0.138 17 0 "[ . 1 . 2]" 1
1075 1 88 ALA HA 1 91 ASN QB . . 4.740 2.686 2.321 3.065 . 0 0 "[ . 1 . 2]" 1
1076 1 88 ALA HA 1 92 ARG H . . 4.290 4.161 3.377 4.332 0.042 1 0 "[ . 1 . 2]" 1
1077 1 89 ALA H 1 90 GLU H . . 3.240 2.705 2.400 2.895 . 0 0 "[ . 1 . 2]" 1
1078 1 89 ALA HA 1 90 GLU H . . 3.450 3.545 3.534 3.557 0.107 9 0 "[ . 1 . 2]" 1
1079 1 89 ALA HA 1 93 GLN H . . 4.660 4.089 3.980 4.183 . 0 0 "[ . 1 . 2]" 1
1080 1 89 ALA MB 1 91 ASN H . . 5.540 4.179 4.112 4.349 . 0 0 "[ . 1 . 2]" 1
1081 1 90 GLU H 1 91 ASN H . . 3.420 2.878 2.782 3.035 . 0 0 "[ . 1 . 2]" 1
1082 1 90 GLU HA 1 91 ASN H . . 3.450 3.376 3.230 3.464 0.014 17 0 "[ . 1 . 2]" 1
1083 1 90 GLU HA 1 93 GLN H . . 3.210 3.275 3.244 3.325 0.115 14 0 "[ . 1 . 2]" 1
1084 1 90 GLU HA 1 93 GLN QB . . 4.300 2.288 2.193 2.480 . 0 0 "[ . 1 . 2]" 1
1085 1 90 GLU HA 1 94 GLY H . . 3.890 3.953 3.917 4.002 0.112 12 0 "[ . 1 . 2]" 1
1086 1 90 GLU QG 1 91 ASN H . . 6.380 4.435 4.151 4.932 . 0 0 "[ . 1 . 2]" 1
1087 1 91 ASN H 1 92 ARG H . . 3.140 2.511 2.195 2.703 . 0 0 "[ . 1 . 2]" 1
1088 1 91 ASN H 1 93 GLN H . . 3.240 3.378 3.322 3.432 0.192 11 0 "[ . 1 . 2]" 1
1089 1 91 ASN HA 1 91 ASN QB . . 2.700 2.469 2.413 2.632 . 0 0 "[ . 1 . 2]" 1
1090 1 92 ARG H 1 92 ARG QB . . 3.650 2.434 2.203 2.594 . 0 0 "[ . 1 . 2]" 1
1091 1 92 ARG H 1 93 GLN H . . 3.240 2.641 2.398 2.760 . 0 0 "[ . 1 . 2]" 1
1092 1 92 ARG HA 1 93 GLN H . . 3.360 3.481 3.470 3.490 0.130 15 0 "[ . 1 . 2]" 1
1093 1 92 ARG HA 1 95 THR H . . 3.360 3.403 3.357 3.466 0.106 12 0 "[ . 1 . 2]" 1
1094 1 92 ARG HA 1 96 LEU H . . 3.270 3.311 3.190 3.416 0.146 8 0 "[ . 1 . 2]" 1
1095 1 92 ARG O 1 96 LEU H . . 2.000 2.025 1.961 2.086 0.086 14 0 "[ . 1 . 2]" 1
1096 1 92 ARG O 1 96 LEU N . . 3.000 2.988 2.886 3.067 0.067 14 0 "[ . 1 . 2]" 1
1097 1 93 GLN H 1 93 GLN QB . . 3.430 2.432 2.299 2.498 . 0 0 "[ . 1 . 2]" 1
1098 1 93 GLN H 1 94 GLY H . . 3.240 2.638 2.509 2.739 . 0 0 "[ . 1 . 2]" 1
1099 1 93 GLN HA 1 96 LEU H . . 4.170 3.928 3.566 4.134 . 0 0 "[ . 1 . 2]" 1
1100 1 93 GLN HA 1 96 LEU QB . . 4.300 3.340 2.567 3.765 . 0 0 "[ . 1 . 2]" 1
1101 1 93 GLN HA 1 97 THR H . . 4.070 3.694 3.367 3.911 . 0 0 "[ . 1 . 2]" 1
1102 1 93 GLN QB 1 94 GLY H . . 3.930 3.475 3.321 3.552 . 0 0 "[ . 1 . 2]" 1
1103 1 94 GLY H 1 94 GLY HA2 . . 2.930 3.014 2.994 3.025 0.095 12 0 "[ . 1 . 2]" 1
1104 1 94 GLY H 1 94 GLY HA3 . . 2.930 2.442 2.383 2.486 . 0 0 "[ . 1 . 2]" 1
1105 1 94 GLY H 1 95 THR H . . 3.020 1.973 1.919 2.079 . 0 0 "[ . 1 . 2]" 1
1106 1 94 GLY H 1 95 THR HB . . 3.760 3.860 3.822 3.894 0.134 8 0 "[ . 1 . 2]" 1
1107 1 94 GLY H 1 96 LEU H . . 3.670 3.450 3.246 3.658 . 0 0 "[ . 1 . 2]" 1
1108 1 94 GLY QA 1 97 THR H . . 4.330 3.631 3.439 3.728 . 0 0 "[ . 1 . 2]" 1
1109 1 94 GLY QA 1 97 THR HB . . 3.870 2.234 2.189 2.285 . 0 0 "[ . 1 . 2]" 1
1110 1 94 GLY QA 1 97 THR MG . . 4.560 3.001 2.975 3.033 . 0 0 "[ . 1 . 2]" 1
1111 1 94 GLY QA 1 98 GLU H . . 4.360 3.832 3.796 3.866 . 0 0 "[ . 1 . 2]" 1
1112 1 94 GLY HA2 1 95 THR H . . 3.550 3.557 3.525 3.583 0.033 17 0 "[ . 1 . 2]" 1
1113 1 94 GLY HA2 1 97 THR HB . . 4.070 2.248 2.201 2.300 . 0 0 "[ . 1 . 2]" 1
1114 1 94 GLY HA3 1 95 THR H . . 3.550 2.732 2.666 2.778 . 0 0 "[ . 1 . 2]" 1
1115 1 94 GLY HA3 1 97 THR HB . . 4.070 3.886 3.858 3.947 . 0 0 "[ . 1 . 2]" 1
1116 1 94 GLY O 1 98 GLU H . . 2.000 1.917 1.882 1.948 . 0 0 "[ . 1 . 2]" 1
1117 1 94 GLY O 1 98 GLU N . . 3.000 2.751 2.715 2.775 . 0 0 "[ . 1 . 2]" 1
1118 1 95 THR H 1 95 THR HB . . 2.860 2.391 2.339 2.430 . 0 0 "[ . 1 . 2]" 1
1119 1 95 THR H 1 95 THR MG . . 4.760 3.765 3.728 3.819 . 0 0 "[ . 1 . 2]" 1
1120 1 95 THR H 1 96 LEU H . . 2.710 2.760 2.720 2.811 0.101 14 0 "[ . 1 . 2]" 1
1121 1 95 THR H 1 98 GLU QB . . 5.420 4.837 4.744 4.892 . 0 0 "[ . 1 . 2]" 1
1122 1 95 THR HA 1 96 LEU H . . 3.520 3.575 3.557 3.589 0.069 5 0 "[ . 1 . 2]" 1
1123 1 95 THR HA 1 98 GLU H . . 3.360 3.486 3.459 3.514 0.154 6 0 "[ . 1 . 2]" 1
1124 1 95 THR HA 1 99 TYR H . . 3.670 3.718 3.673 3.778 0.108 15 0 "[ . 1 . 2]" 1
1125 1 95 THR MG 1 99 TYR QB . . 5.980 3.398 3.232 3.542 . 0 0 "[ . 1 . 2]" 1
1126 1 95 THR O 1 99 TYR H . . 2.000 1.813 1.779 1.829 . 0 0 "[ . 1 . 2]" 1
1127 1 95 THR O 1 99 TYR N . . 3.000 2.748 2.698 2.775 . 0 0 "[ . 1 . 2]" 1
1128 1 96 LEU H 1 97 THR H . . 3.330 2.565 2.424 2.745 . 0 0 "[ . 1 . 2]" 1
1129 1 96 LEU HA 1 96 LEU MD1 . . 4.170 2.558 2.197 3.283 . 0 0 "[ . 1 . 2]" 1
1130 1 96 LEU HA 1 96 LEU HG . . 4.070 3.298 2.870 3.899 . 0 0 "[ . 1 . 2]" 1
1131 1 96 LEU HA 1 97 THR H . . 3.450 3.504 3.487 3.542 0.092 8 0 "[ . 1 . 2]" 1
1132 1 96 LEU HA 1 99 TYR H . . 3.450 3.179 3.058 3.352 . 0 0 "[ . 1 . 2]" 1
1133 1 96 LEU HA 1 99 TYR HB2 . . 3.240 3.138 2.711 3.312 0.072 13 0 "[ . 1 . 2]" 1
1134 1 96 LEU HA 1 99 TYR QB . . 3.020 2.770 2.536 2.856 . 0 0 "[ . 1 . 2]" 1
1135 1 96 LEU HA 1 99 TYR HB3 . . 3.240 3.099 2.942 3.199 . 0 0 "[ . 1 . 2]" 1
1136 1 96 LEU HA 1 100 CYS H . . 3.760 3.787 3.626 3.850 0.090 15 0 "[ . 1 . 2]" 1
1137 1 96 LEU QB 1 97 THR H . . 5.230 2.353 2.181 2.658 . 0 0 "[ . 1 . 2]" 1
1138 1 96 LEU MD1 1 99 TYR QB . . 5.640 3.383 2.765 4.216 . 0 0 "[ . 1 . 2]" 1
1139 1 96 LEU MD2 1 99 TYR QB . . 6.760 4.385 2.437 5.115 . 0 0 "[ . 1 . 2]" 1
1140 1 97 THR H 1 97 THR HB . . 3.170 2.317 2.299 2.346 . 0 0 "[ . 1 . 2]" 1
1141 1 97 THR H 1 97 THR MG . . 4.760 3.713 3.686 3.734 . 0 0 "[ . 1 . 2]" 1
1142 1 97 THR H 1 98 GLU H . . 2.860 2.865 2.787 2.935 0.075 2 0 "[ . 1 . 2]" 1
1143 1 97 THR HA 1 97 THR MG . . 3.460 2.759 2.699 2.839 . 0 0 "[ . 1 . 2]" 1
1144 1 97 THR HA 1 98 GLU H . . 3.420 3.501 3.486 3.512 0.092 6 0 "[ . 1 . 2]" 1
1145 1 97 THR HA 1 100 CYS H . . 3.860 3.803 3.601 3.909 0.049 12 0 "[ . 1 . 2]" 1
1146 1 97 THR HA 1 100 CYS QB . . 5.500 3.313 3.121 3.480 . 0 0 "[ . 1 . 2]" 1
1147 1 97 THR HA 1 101 SER H . . 4.380 4.446 4.399 4.471 0.091 20 0 "[ . 1 . 2]" 1
1148 1 97 THR HB 1 98 GLU H . . 3.270 2.960 2.867 3.147 . 0 0 "[ . 1 . 2]" 1
1149 1 97 THR MG 1 98 GLU H . . 5.100 3.168 3.096 3.270 . 0 0 "[ . 1 . 2]" 1
1150 1 97 THR MG 1 98 GLU HA . . 4.450 3.392 3.323 3.456 . 0 0 "[ . 1 . 2]" 1
1151 1 97 THR MG 1 98 GLU QB . . 5.640 3.316 3.199 3.506 . 0 0 "[ . 1 . 2]" 1
1152 1 97 THR MG 1 98 GLU QG . . 6.350 4.440 4.415 4.526 . 0 0 "[ . 1 . 2]" 1
1153 1 98 GLU H 1 98 GLU HA . . 2.860 2.956 2.941 2.975 0.115 16 0 "[ . 1 . 2]" 1
1154 1 98 GLU H 1 98 GLU QB . . 3.370 2.326 2.300 2.355 . 0 0 "[ . 1 . 2]" 1
1155 1 98 GLU H 1 98 GLU QG . . 4.950 4.015 4.000 4.106 . 0 0 "[ . 1 . 2]" 1
1156 1 98 GLU H 1 99 TYR H . . 3.050 2.332 2.238 2.391 . 0 0 "[ . 1 . 2]" 1
1157 1 98 GLU HA 1 99 TYR H . . 3.420 3.547 3.528 3.566 0.146 12 0 "[ . 1 . 2]" 1
1158 1 98 GLU HA 1 101 SER H . . 3.240 3.342 3.316 3.372 0.132 8 0 "[ . 1 . 2]" 1
1159 1 98 GLU HA 1 101 SER QB . . 3.590 2.771 2.728 2.926 . 0 0 "[ . 1 . 2]" 1
1160 1 98 GLU HA 1 102 THR H . . 3.830 3.886 3.811 3.922 0.092 20 0 "[ . 1 . 2]" 1
1161 1 98 GLU QB 1 99 TYR H . . 3.740 2.735 2.640 2.837 . 0 0 "[ . 1 . 2]" 1
1162 1 98 GLU QG 1 101 SER QB . . 7.250 3.594 3.408 3.711 . 0 0 "[ . 1 . 2]" 1
1163 1 99 TYR H 1 99 TYR HB2 . . 3.140 2.553 2.486 2.628 . 0 0 "[ . 1 . 2]" 1
1164 1 99 TYR H 1 99 TYR QB . . 2.800 2.445 2.385 2.485 . 0 0 "[ . 1 . 2]" 1
1165 1 99 TYR H 1 99 TYR HB3 . . 3.140 3.130 3.058 3.256 0.116 20 0 "[ . 1 . 2]" 1
1166 1 99 TYR H 1 99 TYR HD1 . . 4.720 4.659 4.526 4.739 0.019 11 0 "[ . 1 . 2]" 1
1167 1 99 TYR H 1 100 CYS H . . 3.050 2.807 2.702 2.909 . 0 0 "[ . 1 . 2]" 1
1168 1 99 TYR HA 1 99 TYR HD1 . . 3.730 2.030 2.002 2.065 . 0 0 "[ . 1 . 2]" 1
1169 1 99 TYR HA 1 99 TYR QE . . 5.280 4.354 4.285 4.394 . 0 0 "[ . 1 . 2]" 1
1170 1 99 TYR HA 1 100 CYS H . . 3.520 3.529 3.446 3.561 0.041 15 0 "[ . 1 . 2]" 1
1171 1 99 TYR HA 1 102 THR H . . 3.450 3.043 2.956 3.165 . 0 0 "[ . 1 . 2]" 1
1172 1 99 TYR HA 1 103 LEU H . . 3.520 3.413 3.282 3.540 0.020 16 0 "[ . 1 . 2]" 1
1173 1 99 TYR QB 1 100 CYS H . . 3.590 2.838 2.635 3.044 . 0 0 "[ . 1 . 2]" 1
1174 1 99 TYR HD1 1 100 CYS H . . 4.850 5.117 4.953 5.274 0.424 17 0 "[ . 1 . 2]" 1
1175 1 99 TYR HD1 1 103 LEU H . . 4.940 3.142 2.651 3.716 . 0 0 "[ . 1 . 2]" 1
1176 1 99 TYR HD1 1 103 LEU HB2 . . 4.070 3.821 3.374 4.219 0.149 7 0 "[ . 1 . 2]" 1
1177 1 99 TYR HD1 1 103 LEU HB3 . . 5.160 5.205 4.835 5.735 0.575 7 1 "[ . + 1 . 2]" 1
1178 1 99 TYR HD1 1 103 LEU QD . . 6.580 3.868 3.408 4.391 . 0 0 "[ . 1 . 2]" 1
1179 1 99 TYR QE 1 103 LEU MD1 . . 4.170 2.754 2.420 3.014 . 0 0 "[ . 1 . 2]" 1
1180 1 99 TYR QE 1 103 LEU QD . . 6.110 2.665 2.372 2.883 . 0 0 "[ . 1 . 2]" 1
1181 1 99 TYR QE 1 103 LEU MD2 . . 4.670 3.585 3.318 3.779 . 0 0 "[ . 1 . 2]" 1
1182 1 99 TYR O 1 103 LEU H . . 2.000 1.728 1.704 1.746 . 0 0 "[ . 1 . 2]" 1
1183 1 99 TYR O 1 103 LEU N . . 3.000 2.659 2.634 2.706 . 0 0 "[ . 1 . 2]" 1
1184 1 100 CYS H 1 100 CYS QB . . 2.930 2.318 2.282 2.349 . 0 0 "[ . 1 . 2]" 1
1185 1 100 CYS H 1 101 SER H . . 2.710 2.730 2.655 2.781 0.071 7 0 "[ . 1 . 2]" 1
1186 1 100 CYS HA 1 101 SER H . . 3.640 3.559 3.522 3.578 . 0 0 "[ . 1 . 2]" 1
1187 1 100 CYS HA 1 103 LEU H . . 3.420 3.611 3.573 3.653 0.233 4 0 "[ . 1 . 2]" 1
1188 1 100 CYS HA 1 103 LEU HB2 . . 3.420 2.971 2.898 3.037 . 0 0 "[ . 1 . 2]" 1
1189 1 100 CYS HA 1 103 LEU HB3 . . 3.830 3.829 3.537 3.915 0.085 12 0 "[ . 1 . 2]" 1
1190 1 100 CYS QB 1 101 SER H . . 3.020 2.443 2.384 2.495 . 0 0 "[ . 1 . 2]" 1
1191 1 101 SER H 1 102 THR H . . 2.710 2.663 2.583 2.724 0.014 16 0 "[ . 1 . 2]" 1
1192 1 101 SER HA 1 102 THR H . . 3.450 3.485 3.467 3.507 0.057 16 0 "[ . 1 . 2]" 1
1193 1 101 SER HA 1 104 MET H . . 3.830 3.911 3.872 3.964 0.134 12 0 "[ . 1 . 2]" 1
1194 1 102 THR H 1 102 THR HA . . 2.740 2.900 2.886 2.919 0.179 1 0 "[ . 1 . 2]" 1
1195 1 102 THR H 1 102 THR HB . . 2.650 2.443 2.395 2.472 . 0 0 "[ . 1 . 2]" 1
1196 1 102 THR H 1 102 THR MG . . 4.450 3.759 3.739 3.786 . 0 0 "[ . 1 . 2]" 1
1197 1 102 THR H 1 103 LEU H . . 2.430 2.520 2.453 2.610 0.180 16 0 "[ . 1 . 2]" 1
1198 1 102 THR H 1 103 LEU HB2 . . 5.500 4.343 4.299 4.416 . 0 0 "[ . 1 . 2]" 1
1199 1 102 THR H 1 103 LEU HB3 . . 5.500 5.532 5.505 5.549 0.049 10 0 "[ . 1 . 2]" 1
1200 1 102 THR HA 1 102 THR MG . . 3.680 2.445 2.401 2.527 . 0 0 "[ . 1 . 2]" 1
1201 1 102 THR HA 1 103 LEU H . . 3.450 3.462 3.425 3.493 0.043 6 0 "[ . 1 . 2]" 1
1202 1 102 THR HA 1 104 MET H . . 3.830 3.821 3.691 3.877 0.047 12 0 "[ . 1 . 2]" 1
1203 1 102 THR HA 1 105 SER H . . 3.170 2.703 2.527 2.809 . 0 0 "[ . 1 . 2]" 1
1204 1 102 THR HA 1 106 LEU H . . 3.300 3.495 3.470 3.568 0.268 1 0 "[ . 1 . 2]" 1
1205 1 102 THR HB 1 103 LEU H . . 3.240 3.100 2.882 3.247 0.007 7 0 "[ . 1 . 2]" 1
1206 1 102 THR MG 1 103 LEU H . . 4.760 3.810 3.654 3.933 . 0 0 "[ . 1 . 2]" 1
1207 1 102 THR MG 1 105 SER H . . 5.470 4.121 3.936 4.238 . 0 0 "[ . 1 . 2]" 1
1208 1 102 THR MG 1 106 LEU H . . 4.450 3.534 3.427 3.591 . 0 0 "[ . 1 . 2]" 1
1209 1 102 THR MG 1 106 LEU MD2 . . 5.260 1.907 1.862 1.972 . 0 0 "[ . 1 . 2]" 1
1210 1 102 THR MG 1 106 LEU HG . . 3.920 3.025 2.761 3.112 . 0 0 "[ . 1 . 2]" 1
1211 1 102 THR O 1 106 LEU H . . 2.000 1.815 1.795 1.840 . 0 0 "[ . 1 . 2]" 1
1212 1 102 THR O 1 106 LEU N . . 3.000 2.800 2.780 2.832 . 0 0 "[ . 1 . 2]" 1
1213 1 103 LEU H 1 103 LEU HB2 . . 2.960 2.081 2.044 2.146 . 0 0 "[ . 1 . 2]" 1
1214 1 103 LEU H 1 103 LEU HB3 . . 3.210 3.186 3.079 3.232 0.022 18 0 "[ . 1 . 2]" 1
1215 1 103 LEU H 1 103 LEU HG . . 3.790 3.872 3.817 3.937 0.147 11 0 "[ . 1 . 2]" 1
1216 1 103 LEU H 1 104 MET H . . 3.050 2.517 2.405 2.644 . 0 0 "[ . 1 . 2]" 1
1217 1 103 LEU H 1 106 LEU HG . . 5.130 4.435 4.353 4.510 . 0 0 "[ . 1 . 2]" 1
1218 1 103 LEU HA 1 103 LEU MD1 . . 4.480 3.945 3.889 3.972 . 0 0 "[ . 1 . 2]" 1
1219 1 103 LEU HA 1 103 LEU MD2 . . 4.450 3.073 2.804 3.352 . 0 0 "[ . 1 . 2]" 1
1220 1 103 LEU HA 1 103 LEU HG . . 3.730 2.718 2.648 2.777 . 0 0 "[ . 1 . 2]" 1
1221 1 103 LEU HA 1 105 SER H . . 4.600 3.930 3.820 4.089 . 0 0 "[ . 1 . 2]" 1
1222 1 103 LEU HA 1 106 LEU H . . 3.610 3.756 3.723 3.796 0.186 2 0 "[ . 1 . 2]" 1
1223 1 103 LEU HA 1 106 LEU MD1 . . 4.170 3.408 3.326 3.473 . 0 0 "[ . 1 . 2]" 1
1224 1 103 LEU HA 1 106 LEU MD2 . . 4.760 3.972 3.883 4.051 . 0 0 "[ . 1 . 2]" 1
1225 1 103 LEU HB2 1 104 MET H . . 3.240 3.263 3.186 3.343 0.103 16 0 "[ . 1 . 2]" 1
1226 1 103 LEU HB2 1 104 MET QB . . 5.730 4.785 4.600 4.964 . 0 0 "[ . 1 . 2]" 1
1227 1 103 LEU HB3 1 104 MET H . . 3.420 3.159 3.026 3.308 . 0 0 "[ . 1 . 2]" 1
1228 1 103 LEU QD 1 104 MET H . . 7.630 4.348 4.266 4.438 . 0 0 "[ . 1 . 2]" 1
1229 1 103 LEU QD 1 119 PHE QD . . 6.210 2.066 1.921 2.470 . 0 0 "[ . 1 . 2]" 1
1230 1 103 LEU MD1 1 119 PHE QD . . 4.330 2.797 2.477 3.017 . 0 0 "[ . 1 . 2]" 1
1231 1 103 LEU MD2 1 116 LEU QD . . 6.100 2.589 2.462 2.720 . 0 0 "[ . 1 . 2]" 1
1232 1 103 LEU MD2 1 119 PHE QD . . 4.330 2.139 1.994 2.689 . 0 0 "[ . 1 . 2]" 1
1233 1 103 LEU HG 1 104 MET H . . 5.500 5.266 5.205 5.306 . 0 0 "[ . 1 . 2]" 1
1234 1 104 MET H 1 104 MET HB2 . . 3.240 2.277 2.038 2.509 . 0 0 "[ . 1 . 2]" 1
1235 1 104 MET H 1 104 MET QB . . 2.930 2.210 2.022 2.329 . 0 0 "[ . 1 . 2]" 1
1236 1 104 MET H 1 104 MET HB3 . . 3.240 3.214 2.733 3.568 0.328 5 0 "[ . 1 . 2]" 1
1237 1 104 MET H 1 104 MET ME . . 5.100 3.598 3.145 4.212 . 0 0 "[ . 1 . 2]" 1
1238 1 104 MET H 1 105 SER H . . 2.430 2.411 2.345 2.559 0.129 20 0 "[ . 1 . 2]" 1
1239 1 104 MET H 1 105 SER QB . . 5.820 4.213 4.115 4.450 . 0 0 "[ . 1 . 2]" 1
1240 1 104 MET HA 1 104 MET ME . . 4.170 2.089 1.995 2.163 . 0 0 "[ . 1 . 2]" 1
1241 1 104 MET HA 1 105 SER H . . 3.300 3.261 3.006 3.399 0.099 1 0 "[ . 1 . 2]" 1
1242 1 104 MET QB 1 105 SER H . . 3.630 3.219 2.789 3.485 . 0 0 "[ . 1 . 2]" 1
1243 1 104 MET HB2 1 105 SER H . . 3.790 3.656 2.921 4.148 0.358 15 0 "[ . 1 . 2]" 1
1244 1 104 MET HB3 1 105 SER H . . 3.790 3.740 3.366 4.134 0.344 4 0 "[ . 1 . 2]" 1
1245 1 104 MET ME 1 105 SER H . . 5.600 4.540 4.461 4.599 . 0 0 "[ . 1 . 2]" 1
1246 1 105 SER H 1 105 SER HA . . 2.830 2.958 2.918 2.980 0.150 7 0 "[ . 1 . 2]" 1
1247 1 105 SER H 1 105 SER QB . . 3.900 2.499 2.392 2.850 . 0 0 "[ . 1 . 2]" 1
1248 1 105 SER H 1 106 LEU H . . 2.550 2.331 2.110 2.552 0.002 1 0 "[ . 1 . 2]" 1
1249 1 105 SER H 1 106 LEU HB3 . . 5.500 5.624 5.387 5.962 0.462 1 0 "[ . 1 . 2]" 1
1250 1 105 SER H 1 106 LEU MD2 . . 5.100 4.042 3.967 4.086 . 0 0 "[ . 1 . 2]" 1
1251 1 105 SER H 1 106 LEU HG . . 4.850 4.098 3.969 4.256 . 0 0 "[ . 1 . 2]" 1
1252 1 105 SER HA 1 105 SER HB2 . . 2.400 2.760 2.665 2.779 0.379 13 0 "[ . 1 . 2]" 1
1253 1 105 SER HA 1 105 SER HB3 . . 3.050 3.039 2.817 3.076 0.026 3 0 "[ . 1 . 2]" 1
1254 1 105 SER HA 1 106 LEU H . . 3.550 3.615 3.565 3.646 0.096 4 0 "[ . 1 . 2]" 1
1255 1 105 SER QB 1 106 LEU H . . 4.330 2.721 2.429 3.672 . 0 0 "[ . 1 . 2]" 1
1256 1 106 LEU H 1 106 LEU HA . . 2.860 2.413 2.390 2.452 . 0 0 "[ . 1 . 2]" 1
1257 1 106 LEU H 1 106 LEU HB2 . . 3.210 2.561 2.429 2.745 . 0 0 "[ . 1 . 2]" 1
1258 1 106 LEU H 1 106 LEU HB3 . . 3.520 3.425 3.406 3.464 . 0 0 "[ . 1 . 2]" 1
1259 1 106 LEU H 1 106 LEU MD1 . . 4.880 3.873 3.804 3.957 . 0 0 "[ . 1 . 2]" 1
1260 1 106 LEU H 1 106 LEU MD2 . . 4.140 2.400 2.278 2.629 . 0 0 "[ . 1 . 2]" 1
1261 1 106 LEU H 1 106 LEU HG . . 2.860 2.552 2.473 2.673 . 0 0 "[ . 1 . 2]" 1
1262 1 106 LEU H 1 107 PRO HD2 . . 4.820 4.926 4.904 4.946 0.126 16 0 "[ . 1 . 2]" 1
1263 1 106 LEU H 1 107 PRO HD3 . . 4.540 4.644 4.585 4.669 0.129 2 0 "[ . 1 . 2]" 1
1264 1 106 LEU HA 1 106 LEU MD2 . . 3.460 2.103 2.063 2.136 . 0 0 "[ . 1 . 2]" 1
1265 1 106 LEU HA 1 107 PRO HD2 . . 3.730 2.657 2.602 2.707 . 0 0 "[ . 1 . 2]" 1
1266 1 106 LEU HA 1 107 PRO HD3 . . 3.730 2.276 2.228 2.312 . 0 0 "[ . 1 . 2]" 1
1267 1 106 LEU HA 1 108 THR H . . 3.420 3.656 3.590 3.701 0.281 4 0 "[ . 1 . 2]" 1
1268 1 106 LEU HB2 1 106 LEU MD2 . . 3.610 3.257 3.205 3.284 . 0 0 "[ . 1 . 2]" 1
1269 1 106 LEU HB2 1 108 THR H . . 4.290 3.663 3.330 3.952 . 0 0 "[ . 1 . 2]" 1
1270 1 106 LEU QD 1 107 PRO HD2 . . 6.580 2.818 2.621 2.920 . 0 0 "[ . 1 . 2]" 1
1271 1 106 LEU QD 1 107 PRO HD3 . . 6.580 3.065 3.027 3.092 . 0 0 "[ . 1 . 2]" 1
1272 1 106 LEU QD 1 108 THR H . . 7.630 3.598 3.404 3.725 . 0 0 "[ . 1 . 2]" 1
1273 1 106 LEU MD1 1 107 PRO HD2 . . 5.470 3.483 3.337 3.558 . 0 0 "[ . 1 . 2]" 1
1274 1 106 LEU MD1 1 107 PRO HD3 . . 5.570 4.517 4.388 4.546 . 0 0 "[ . 1 . 2]" 1
1275 1 106 LEU MD2 1 107 PRO HD2 . . 4.450 2.979 2.724 3.118 . 0 0 "[ . 1 . 2]" 1
1276 1 106 LEU MD2 1 107 PRO HD3 . . 3.920 3.119 3.074 3.152 . 0 0 "[ . 1 . 2]" 1
1277 1 107 PRO HA 1 108 THR H . . 3.080 3.280 3.227 3.325 0.245 17 0 "[ . 1 . 2]" 1
1278 1 107 PRO HA 1 109 LYS H . . 3.240 3.189 3.076 3.264 0.024 6 0 "[ . 1 . 2]" 1
1279 1 107 PRO QB 1 108 THR H . . 4.490 3.671 3.576 3.786 . 0 0 "[ . 1 . 2]" 1
1280 1 107 PRO QB 1 109 LYS H . . 4.670 4.236 4.200 4.302 . 0 0 "[ . 1 . 2]" 1
1281 1 107 PRO HD3 1 108 THR H . . 5.470 3.680 3.551 3.822 . 0 0 "[ . 1 . 2]" 1
1282 1 108 THR H 1 108 THR HB . . 3.240 3.410 3.287 3.475 0.235 5 0 "[ . 1 . 2]" 1
1283 1 108 THR H 1 108 THR MG . . 3.890 2.805 2.468 3.213 . 0 0 "[ . 1 . 2]" 1
1284 1 108 THR H 1 109 LYS H . . 3.050 3.126 2.918 3.206 0.156 1 0 "[ . 1 . 2]" 1
1285 1 108 THR HA 1 108 THR MG . . 3.460 2.337 2.244 2.395 . 0 0 "[ . 1 . 2]" 1
1286 1 108 THR HA 1 109 LYS H . . 3.580 2.745 2.650 2.952 . 0 0 "[ . 1 . 2]" 1
1287 1 108 THR HA 1 110 ILE H . . 3.450 3.023 2.709 3.186 . 0 0 "[ . 1 . 2]" 1
1288 1 108 THR HA 1 111 SER H . . 3.170 3.073 2.710 3.259 0.089 6 0 "[ . 1 . 2]" 1
1289 1 108 THR HA 1 112 ARG H . . 3.980 4.019 3.921 4.153 0.173 6 0 "[ . 1 . 2]" 1
1290 1 108 THR HB 1 109 LYS H . . 4.450 4.400 4.357 4.444 . 0 0 "[ . 1 . 2]" 1
1291 1 108 THR HB 1 110 ILE H . . 4.540 4.434 4.190 4.542 0.002 10 0 "[ . 1 . 2]" 1
1292 1 108 THR HB 1 111 SER H . . 3.240 3.303 3.244 3.353 0.113 12 0 "[ . 1 . 2]" 1
1293 1 108 THR HB 1 112 ARG H . . 2.930 2.626 2.537 2.847 . 0 0 "[ . 1 . 2]" 1
1294 1 108 THR HB 1 112 ARG QB . . 4.950 2.851 2.472 3.459 . 0 0 "[ . 1 . 2]" 1
1295 1 108 THR MG 1 109 LYS H . . 5.260 4.394 4.365 4.432 . 0 0 "[ . 1 . 2]" 1
1296 1 108 THR MG 1 111 SER H . . 5.100 3.908 3.363 4.133 . 0 0 "[ . 1 . 2]" 1
1297 1 108 THR MG 1 111 SER HA . . 6.530 5.214 5.000 5.343 . 0 0 "[ . 1 . 2]" 1
1298 1 108 THR MG 1 111 SER QB . . 7.190 2.782 2.405 3.540 . 0 0 "[ . 1 . 2]" 1
1299 1 108 THR MG 1 112 ARG H . . 4.880 4.128 4.016 4.158 . 0 0 "[ . 1 . 2]" 1
1300 1 108 THR MG 1 112 ARG QB . . 6.350 4.093 3.640 4.644 . 0 0 "[ . 1 . 2]" 1
1301 1 109 LYS H 1 109 LYS HA . . 2.830 2.897 2.860 2.921 0.091 12 0 "[ . 1 . 2]" 1
1302 1 109 LYS H 1 109 LYS HB2 . . 2.710 2.410 2.118 2.566 . 0 0 "[ . 1 . 2]" 1
1303 1 109 LYS H 1 109 LYS QB . . 2.480 2.279 2.098 2.346 . 0 0 "[ . 1 . 2]" 1
1304 1 109 LYS H 1 109 LYS HB3 . . 2.710 2.868 2.712 3.379 0.669 6 1 "[ .+ 1 . 2]" 1
1305 1 109 LYS H 1 109 LYS QG . . 4.610 4.053 3.819 4.156 . 0 0 "[ . 1 . 2]" 1
1306 1 109 LYS H 1 110 ILE H . . 2.550 2.645 2.576 2.763 0.213 6 0 "[ . 1 . 2]" 1
1307 1 109 LYS HA 1 109 LYS HB2 . . 2.900 2.781 2.696 3.041 0.141 6 0 "[ . 1 . 2]" 1
1308 1 109 LYS HA 1 109 LYS QB . . 2.670 2.597 2.554 2.675 0.005 19 0 "[ . 1 . 2]" 1
1309 1 109 LYS HA 1 109 LYS HB3 . . 2.900 3.129 2.948 3.165 0.265 9 0 "[ . 1 . 2]" 1
1310 1 109 LYS HA 1 110 ILE H . . 3.240 3.269 3.126 3.321 0.081 19 0 "[ . 1 . 2]" 1
1311 1 109 LYS HA 1 111 SER H . . 4.110 4.143 4.110 4.171 0.061 14 0 "[ . 1 . 2]" 1
1312 1 109 LYS HA 1 112 ARG H . . 3.270 3.522 3.438 3.554 0.284 9 0 "[ . 1 . 2]" 1
1313 1 109 LYS HA 1 113 CYS H . . 3.670 3.640 3.302 3.753 0.083 17 0 "[ . 1 . 2]" 1
1314 1 109 LYS QB 1 110 ILE H . . 3.670 3.249 3.114 3.384 . 0 0 "[ . 1 . 2]" 1
1315 1 109 LYS HB2 1 110 ILE H . . 4.070 4.102 3.690 4.221 0.151 9 0 "[ . 1 . 2]" 1
1316 1 109 LYS HB3 1 110 ILE H . . 4.070 3.416 3.303 3.726 . 0 0 "[ . 1 . 2]" 1
1317 1 110 ILE H 1 110 ILE HB . . 2.860 2.525 2.507 2.574 . 0 0 "[ . 1 . 2]" 1
1318 1 110 ILE H 1 111 SER H . . 2.550 2.226 2.015 2.336 . 0 0 "[ . 1 . 2]" 1
1319 1 110 ILE HA 1 111 SER H . . 3.450 3.528 3.514 3.548 0.098 12 0 "[ . 1 . 2]" 1
1320 1 110 ILE HA 1 113 CYS H . . 3.670 3.721 3.689 3.751 0.081 16 0 "[ . 1 . 2]" 1
1321 1 110 ILE HB 1 111 SER H . . 2.930 2.869 2.771 2.935 0.005 6 0 "[ . 1 . 2]" 1
1322 1 110 ILE MG 1 111 SER H . . 5.470 3.706 3.591 3.835 . 0 0 "[ . 1 . 2]" 1
1323 1 111 SER H 1 111 SER HA . . 2.830 2.903 2.876 2.954 0.124 6 0 "[ . 1 . 2]" 1
1324 1 111 SER H 1 112 ARG H . . 2.860 2.374 2.131 2.499 . 0 0 "[ . 1 . 2]" 1
1325 1 111 SER H 1 112 ARG QB . . 5.350 4.293 3.957 4.592 . 0 0 "[ . 1 . 2]" 1
1326 1 111 SER HA 1 112 ARG H . . 3.420 3.511 3.484 3.534 0.114 19 0 "[ . 1 . 2]" 1
1327 1 111 SER HA 1 113 CYS H . . 4.480 4.090 3.878 4.389 . 0 0 "[ . 1 . 2]" 1
1328 1 112 ARG H 1 113 CYS H . . 2.710 2.579 2.476 2.708 . 0 0 "[ . 1 . 2]" 1
1329 1 112 ARG H 1 114 PRO QD . . 5.110 4.222 4.119 4.296 . 0 0 "[ . 1 . 2]" 1
1330 1 112 ARG HA 1 113 CYS H . . 3.360 3.423 3.314 3.481 0.121 16 0 "[ . 1 . 2]" 1
1331 1 112 ARG HA 1 115 HIS H . . 3.670 3.234 2.920 3.679 0.009 2 0 "[ . 1 . 2]" 1
1332 1 112 ARG HA 1 116 LEU H . . 4.070 3.893 2.992 4.138 0.068 12 0 "[ . 1 . 2]" 1
1333 1 112 ARG O 1 116 LEU H . . 2.000 1.865 1.810 1.911 . 0 0 "[ . 1 . 2]" 1
1334 1 112 ARG O 1 116 LEU N . . 3.000 2.852 2.805 2.911 . 0 0 "[ . 1 . 2]" 1
1335 1 113 CYS H 1 113 CYS HB2 . . 3.050 2.513 2.163 2.933 . 0 0 "[ . 1 . 2]" 1
1336 1 113 CYS H 1 113 CYS QB . . 2.810 2.248 2.136 2.338 . 0 0 "[ . 1 . 2]" 1
1337 1 113 CYS H 1 113 CYS HB3 . . 3.050 2.907 2.357 3.519 0.469 20 0 "[ . 1 . 2]" 1
1338 1 113 CYS H 1 114 PRO QD . . 4.520 2.511 2.255 2.914 . 0 0 "[ . 1 . 2]" 1
1339 1 113 CYS HA 1 116 LEU QB . . 4.990 3.362 3.172 3.577 . 0 0 "[ . 1 . 2]" 1
1340 1 113 CYS O 1 117 LEU H . . 2.000 1.976 1.883 2.029 0.029 13 0 "[ . 1 . 2]" 1
1341 1 113 CYS O 1 117 LEU N . . 3.000 2.980 2.888 3.031 0.031 13 0 "[ . 1 . 2]" 1
1342 1 114 PRO HA 1 115 HIS H . . 3.420 3.500 3.482 3.539 0.119 6 0 "[ . 1 . 2]" 1
1343 1 114 PRO HA 1 117 LEU H . . 3.330 3.366 3.267 3.418 0.088 1 0 "[ . 1 . 2]" 1
1344 1 114 PRO HA 1 117 LEU HB2 . . 5.500 2.249 2.214 2.275 . 0 0 "[ . 1 . 2]" 1
1345 1 114 PRO HA 1 117 LEU HB3 . . 5.500 3.886 3.856 3.918 . 0 0 "[ . 1 . 2]" 1
1346 1 114 PRO HA 1 117 LEU QD . . 4.760 2.463 2.243 3.012 . 0 0 "[ . 1 . 2]" 1
1347 1 114 PRO HA 1 118 ASP H . . 3.450 3.615 3.572 3.640 0.190 14 0 "[ . 1 . 2]" 1
1348 1 114 PRO QD 1 115 HIS H . . 5.320 2.981 2.874 3.112 . 0 0 "[ . 1 . 2]" 1
1349 1 114 PRO O 1 118 ASP H . . 2.000 1.874 1.837 1.915 . 0 0 "[ . 1 . 2]" 1
1350 1 114 PRO O 1 118 ASP N . . 3.000 2.803 2.751 2.850 . 0 0 "[ . 1 . 2]" 1
1351 1 115 HIS H 1 115 HIS HA . . 2.860 2.843 2.813 2.860 0.000 2 0 "[ . 1 . 2]" 1
1352 1 115 HIS H 1 115 HIS HB2 . . 2.710 2.388 2.287 2.467 . 0 0 "[ . 1 . 2]" 1
1353 1 115 HIS H 1 115 HIS HB3 . . 2.710 2.926 2.861 3.034 0.324 6 0 "[ . 1 . 2]" 1
1354 1 115 HIS H 1 116 LEU H . . 3.300 2.836 2.752 2.956 . 0 0 "[ . 1 . 2]" 1
1355 1 115 HIS HA 1 116 LEU H . . 3.640 3.671 3.659 3.681 0.041 1 0 "[ . 1 . 2]" 1
1356 1 115 HIS HA 1 118 ASP H . . 3.610 3.317 3.225 3.479 . 0 0 "[ . 1 . 2]" 1
1357 1 115 HIS HA 1 118 ASP QB . . 3.210 2.389 2.241 2.711 . 0 0 "[ . 1 . 2]" 1
1358 1 115 HIS QB 1 116 LEU H . . 3.260 2.636 2.548 2.704 . 0 0 "[ . 1 . 2]" 1
1359 1 115 HIS HB2 1 116 LEU H . . 3.450 3.777 3.665 3.869 0.419 14 0 "[ . 1 . 2]" 1
1360 1 115 HIS HB3 1 116 LEU H . . 3.450 2.690 2.599 2.760 . 0 0 "[ . 1 . 2]" 1
1361 1 115 HIS HD2 1 116 LEU H . . 5.250 5.292 5.262 5.309 0.059 19 0 "[ . 1 . 2]" 1
1362 1 115 HIS O 1 119 PHE H . . 2.000 2.382 2.332 2.411 0.411 16 0 "[ . 1 . 2]" 1
1363 1 115 HIS O 1 119 PHE N . . 3.000 2.810 2.770 2.847 . 0 0 "[ . 1 . 2]" 1
1364 1 116 LEU H 1 116 LEU HB2 . . 2.710 2.324 2.301 2.337 . 0 0 "[ . 1 . 2]" 1
1365 1 116 LEU H 1 116 LEU HB3 . . 2.710 2.898 2.844 2.944 0.234 1 0 "[ . 1 . 2]" 1
1366 1 116 LEU H 1 116 LEU QD . . 4.950 3.808 3.785 3.826 . 0 0 "[ . 1 . 2]" 1
1367 1 116 LEU H 1 116 LEU HG . . 4.140 4.242 4.232 4.259 0.119 11 0 "[ . 1 . 2]" 1
1368 1 116 LEU H 1 117 LEU H . . 2.860 2.874 2.818 2.909 0.049 5 0 "[ . 1 . 2]" 1
1369 1 116 LEU HA 1 116 LEU HG . . 4.070 2.952 2.929 2.974 . 0 0 "[ . 1 . 2]" 1
1370 1 116 LEU HA 1 117 LEU H . . 3.520 3.539 3.522 3.578 0.058 15 0 "[ . 1 . 2]" 1
1371 1 116 LEU HA 1 119 PHE H . . 3.450 3.241 3.081 3.315 . 0 0 "[ . 1 . 2]" 1
1372 1 116 LEU HA 1 119 PHE QD . . 3.730 2.531 2.213 3.575 . 0 0 "[ . 1 . 2]" 1
1373 1 116 LEU HA 1 120 PHE H . . 4.450 4.374 4.191 4.450 . 0 0 "[ . 1 . 2]" 1
1374 1 116 LEU QB 1 117 LEU H . . 3.530 2.438 2.402 2.483 . 0 0 "[ . 1 . 2]" 1
1375 1 116 LEU QB 1 118 ASP H . . 5.820 4.684 4.622 4.826 . 0 0 "[ . 1 . 2]" 1
1376 1 116 LEU QB 1 119 PHE QD . . 6.380 3.862 3.655 4.508 . 0 0 "[ . 1 . 2]" 1
1377 1 116 LEU HB2 1 117 LEU H . . 3.890 3.630 3.584 3.697 . 0 0 "[ . 1 . 2]" 1
1378 1 116 LEU HB3 1 117 LEU H . . 3.890 2.478 2.440 2.523 . 0 0 "[ . 1 . 2]" 1
1379 1 116 LEU QD 1 117 LEU H . . 4.730 3.512 3.416 3.563 . 0 0 "[ . 1 . 2]" 1
1380 1 116 LEU QD 1 117 LEU HA . . 5.160 3.470 3.380 3.532 . 0 0 "[ . 1 . 2]" 1
1381 1 116 LEU QD 1 119 PHE H . . 6.530 3.319 3.261 3.360 . 0 0 "[ . 1 . 2]" 1
1382 1 116 LEU QD 1 119 PHE QD . . 5.100 2.229 1.876 2.419 . 0 0 "[ . 1 . 2]" 1
1383 1 116 LEU QD 1 120 PHE H . . 5.100 3.130 3.039 3.203 . 0 0 "[ . 1 . 2]" 1
1384 1 116 LEU QD 1 120 PHE HD1 . . 4.170 3.256 2.980 3.534 . 0 0 "[ . 1 . 2]" 1
1385 1 116 LEU QD 1 120 PHE HE1 . . 5.100 2.931 2.742 3.189 . 0 0 "[ . 1 . 2]" 1
1386 1 116 LEU HG 1 119 PHE QD . . 4.480 3.196 2.977 3.466 . 0 0 "[ . 1 . 2]" 1
1387 1 116 LEU O 1 120 PHE H . . 2.000 2.099 2.042 2.136 0.136 14 0 "[ . 1 . 2]" 1
1388 1 116 LEU O 1 120 PHE N . . 3.000 3.048 3.019 3.068 0.068 14 0 "[ . 1 . 2]" 1
1389 1 117 LEU H 1 117 LEU HB2 . . 3.210 2.502 2.386 2.559 . 0 0 "[ . 1 . 2]" 1
1390 1 117 LEU H 1 117 LEU QB . . 3.010 2.460 2.352 2.513 . 0 0 "[ . 1 . 2]" 1
1391 1 117 LEU H 1 117 LEU HB3 . . 3.210 3.637 3.575 3.662 0.452 5 0 "[ . 1 . 2]" 1
1392 1 117 LEU H 1 117 LEU HG . . 3.420 3.483 3.436 3.580 0.160 4 0 "[ . 1 . 2]" 1
1393 1 117 LEU H 1 118 ASP H . . 3.050 2.828 2.782 2.920 . 0 0 "[ . 1 . 2]" 1
1394 1 117 LEU HA 1 117 LEU QD . . 3.920 3.040 2.900 3.089 . 0 0 "[ . 1 . 2]" 1
1395 1 117 LEU HA 1 117 LEU HG . . 3.420 2.535 2.412 2.619 . 0 0 "[ . 1 . 2]" 1
1396 1 117 LEU HA 1 118 ASP H . . 3.450 3.538 3.507 3.556 0.106 16 0 "[ . 1 . 2]" 1
1397 1 117 LEU HA 1 119 PHE H . . 4.110 3.713 3.640 3.800 . 0 0 "[ . 1 . 2]" 1
1398 1 117 LEU HA 1 120 PHE H . . 3.580 3.537 3.356 3.610 0.030 9 0 "[ . 1 . 2]" 1
1399 1 117 LEU HA 1 121 LYS H . . 3.390 3.420 3.332 3.495 0.105 15 0 "[ . 1 . 2]" 1
1400 1 117 LEU HB2 1 118 ASP H . . 3.080 2.785 2.547 2.963 . 0 0 "[ . 1 . 2]" 1
1401 1 117 LEU HB3 1 118 ASP H . . 3.080 3.505 3.286 3.628 0.548 4 1 "[ +. 1 . 2]" 1
1402 1 117 LEU QD 1 118 ASP H . . 6.580 4.008 3.878 4.069 . 0 0 "[ . 1 . 2]" 1
1403 1 117 LEU O 1 121 LYS H . . 2.000 1.757 1.726 1.785 . 0 0 "[ . 1 . 2]" 1
1404 1 117 LEU O 1 121 LYS N . . 3.000 2.709 2.687 2.737 . 0 0 "[ . 1 . 2]" 1
1405 1 118 ASP H 1 118 ASP QB . . 2.700 2.213 2.133 2.247 . 0 0 "[ . 1 . 2]" 1
1406 1 118 ASP H 1 119 PHE H . . 2.860 2.722 2.651 2.844 . 0 0 "[ . 1 . 2]" 1
1407 1 118 ASP H 1 120 PHE H . . 4.760 4.262 4.172 4.365 . 0 0 "[ . 1 . 2]" 1
1408 1 118 ASP HA 1 119 PHE H . . 3.300 3.317 3.276 3.350 0.050 15 0 "[ . 1 . 2]" 1
1409 1 118 ASP HA 1 120 PHE H . . 4.200 4.073 3.994 4.178 . 0 0 "[ . 1 . 2]" 1
1410 1 118 ASP HA 1 121 LYS H . . 3.640 3.543 3.324 3.635 . 0 0 "[ . 1 . 2]" 1
1411 1 118 ASP HA 1 122 VAL H . . 3.360 3.302 3.164 3.397 0.037 10 0 "[ . 1 . 2]" 1
1412 1 118 ASP QB 1 119 PHE H . . 3.420 3.249 3.214 3.317 . 0 0 "[ . 1 . 2]" 1
1413 1 118 ASP QB 1 121 LYS H . . 5.940 5.314 5.145 5.372 . 0 0 "[ . 1 . 2]" 1
1414 1 119 PHE H 1 119 PHE HA . . 2.900 2.957 2.947 2.972 0.072 11 0 "[ . 1 . 2]" 1
1415 1 119 PHE H 1 119 PHE HB2 . . 2.710 2.216 2.153 2.324 . 0 0 "[ . 1 . 2]" 1
1416 1 119 PHE H 1 119 PHE HB3 . . 2.710 2.765 2.642 2.806 0.096 16 0 "[ . 1 . 2]" 1
1417 1 119 PHE H 1 119 PHE QD . . 4.510 4.221 4.181 4.262 . 0 0 "[ . 1 . 2]" 1
1418 1 119 PHE H 1 120 PHE H . . 3.020 1.989 1.947 2.031 . 0 0 "[ . 1 . 2]" 1
1419 1 119 PHE H 1 120 PHE HD1 . . 4.450 4.791 4.436 5.402 0.952 12 4 "[ . -*1 +* . 2]" 1
1420 1 119 PHE H 1 121 LYS H . . 3.700 3.748 3.682 3.791 0.091 19 0 "[ . 1 . 2]" 1
1421 1 119 PHE HA 1 120 PHE H . . 3.580 3.421 3.355 3.451 . 0 0 "[ . 1 . 2]" 1
1422 1 119 PHE HA 1 122 VAL H . . 5.000 4.669 4.535 4.855 . 0 0 "[ . 1 . 2]" 1
1423 1 119 PHE HA 1 123 ARG H . . 4.110 4.239 4.193 4.324 0.214 1 0 "[ . 1 . 2]" 1
1424 1 119 PHE HB2 1 120 PHE H . . 3.610 3.207 3.168 3.322 . 0 0 "[ . 1 . 2]" 1
1425 1 119 PHE HB3 1 120 PHE H . . 3.050 2.465 2.327 2.552 . 0 0 "[ . 1 . 2]" 1
1426 1 120 PHE H 1 120 PHE HB2 . . 3.450 2.185 2.132 2.222 . 0 0 "[ . 1 . 2]" 1
1427 1 120 PHE H 1 120 PHE QB . . 3.120 2.162 2.112 2.197 . 0 0 "[ . 1 . 2]" 1
1428 1 120 PHE H 1 120 PHE HB3 . . 3.450 3.445 3.411 3.468 0.018 2 0 "[ . 1 . 2]" 1
1429 1 120 PHE H 1 120 PHE HD1 . . 3.140 3.226 2.951 3.666 0.526 12 1 "[ . 1 + . 2]" 1
1430 1 120 PHE H 1 121 LYS H . . 3.080 2.563 2.501 2.620 . 0 0 "[ . 1 . 2]" 1
1431 1 120 PHE H 1 122 VAL H . . 3.760 3.781 3.719 3.830 0.070 15 0 "[ . 1 . 2]" 1
1432 1 120 PHE HA 1 120 PHE HD1 . . 4.290 2.196 2.118 2.338 . 0 0 "[ . 1 . 2]" 1
1433 1 120 PHE HA 1 121 LYS H . . 3.520 3.563 3.552 3.576 0.056 10 0 "[ . 1 . 2]" 1
1434 1 120 PHE HA 1 123 ARG H . . 3.360 3.512 3.426 3.624 0.264 6 0 "[ . 1 . 2]" 1
1435 1 120 PHE QB 1 121 LYS H . . 3.410 2.224 2.077 2.472 . 0 0 "[ . 1 . 2]" 1
1436 1 120 PHE HB2 1 121 LYS H . . 3.610 2.275 2.117 2.541 . 0 0 "[ . 1 . 2]" 1
1437 1 120 PHE HB3 1 121 LYS H . . 3.610 3.147 3.007 3.382 . 0 0 "[ . 1 . 2]" 1
1438 1 120 PHE HD1 1 121 LYS H . . 4.510 4.943 4.836 5.054 0.544 12 2 "[ . 1 +- . 2]" 1
1439 1 121 LYS H 1 121 LYS HA . . 2.800 2.815 2.785 2.856 0.056 4 0 "[ . 1 . 2]" 1
1440 1 121 LYS H 1 121 LYS QB . . 3.310 2.331 2.248 2.501 . 0 0 "[ . 1 . 2]" 1
1441 1 121 LYS H 1 122 VAL H . . 3.270 2.693 2.455 2.780 . 0 0 "[ . 1 . 2]" 1
1442 1 121 LYS HA 1 121 LYS HG2 . . 3.760 3.660 3.567 3.845 0.085 8 0 "[ . 1 . 2]" 1
1443 1 121 LYS HA 1 121 LYS QG . . 3.500 3.261 3.238 3.297 . 0 0 "[ . 1 . 2]" 1
1444 1 121 LYS HA 1 121 LYS HG3 . . 3.760 3.666 3.587 3.742 . 0 0 "[ . 1 . 2]" 1
1445 1 121 LYS HA 1 122 VAL H . . 3.420 3.432 3.368 3.460 0.040 14 0 "[ . 1 . 2]" 1
1446 1 121 LYS HA 1 122 VAL MG2 . . 5.600 4.544 4.507 4.568 . 0 0 "[ . 1 . 2]" 1
1447 1 121 LYS QB 1 122 VAL H . . 4.270 3.739 3.610 3.881 . 0 0 "[ . 1 . 2]" 1
1448 1 121 LYS QG 1 122 VAL H . . 3.530 2.690 2.269 2.996 . 0 0 "[ . 1 . 2]" 1
1449 1 121 LYS HG2 1 122 VAL H . . 3.700 2.781 2.313 3.334 . 0 0 "[ . 1 . 2]" 1
1450 1 121 LYS HG3 1 122 VAL H . . 3.700 3.684 3.173 4.044 0.344 7 0 "[ . 1 . 2]" 1
1451 1 122 VAL H 1 122 VAL HB . . 2.860 2.573 2.526 2.631 . 0 0 "[ . 1 . 2]" 1
1452 1 122 VAL H 1 123 ARG H . . 3.830 2.389 2.190 2.574 . 0 0 "[ . 1 . 2]" 1
1453 1 122 VAL HA 1 123 ARG H . . 3.550 3.620 3.597 3.649 0.099 11 0 "[ . 1 . 2]" 1
1454 1 122 VAL HB 1 123 ARG H . . 3.450 2.658 2.530 2.975 . 0 0 "[ . 1 . 2]" 1
1455 1 122 VAL QG 1 123 ARG H . . 5.860 3.296 3.207 3.440 . 0 0 "[ . 1 . 2]" 1
1456 1 123 ARG H 1 123 ARG QB . . 3.820 2.871 2.440 3.465 . 0 0 "[ . 1 . 2]" 1
1457 1 123 ARG H 1 128 LYS QB . . 6.380 5.643 5.519 5.709 . 0 0 "[ . 1 . 2]" 1
1458 1 123 ARG HA 1 125 ASP H . . 3.890 3.454 3.314 3.908 0.018 1 0 "[ . 1 . 2]" 1
1459 1 123 ARG HA 1 126 ASP H . . 4.140 4.249 4.199 4.324 0.184 9 0 "[ . 1 . 2]" 1
1460 1 123 ARG QB 1 125 ASP H . . 3.740 3.130 2.973 3.343 . 0 0 "[ . 1 . 2]" 1
1461 1 124 PRO HA 1 125 ASP H . . 3.240 2.747 2.394 2.920 . 0 0 "[ . 1 . 2]" 1
1462 1 124 PRO HA 1 127 LEU H . . 3.830 3.951 3.862 3.991 0.161 18 0 "[ . 1 . 2]" 1
1463 1 124 PRO HA 1 128 LYS H . . 3.830 3.085 2.878 3.379 . 0 0 "[ . 1 . 2]" 1
1464 1 124 PRO HA 1 129 LEU HG . . 5.500 5.230 4.880 5.505 0.005 4 0 "[ . 1 . 2]" 1
1465 1 125 ASP H 1 125 ASP HA . . 2.900 2.835 2.710 2.898 . 0 0 "[ . 1 . 2]" 1
1466 1 125 ASP H 1 125 ASP QB . . 3.360 2.863 2.726 3.027 . 0 0 "[ . 1 . 2]" 1
1467 1 125 ASP H 1 126 ASP H . . 3.240 1.645 1.547 1.750 . 0 0 "[ . 1 . 2]" 1
1468 1 125 ASP H 1 127 LEU H . . 3.610 3.427 3.049 3.641 0.031 12 0 "[ . 1 . 2]" 1
1469 1 125 ASP H 1 128 LYS H . . 4.170 3.485 2.842 3.913 . 0 0 "[ . 1 . 2]" 1
1470 1 125 ASP H 1 128 LYS QB . . 4.520 3.967 3.563 4.128 . 0 0 "[ . 1 . 2]" 1
1471 1 125 ASP HA 1 126 ASP H . . 3.110 3.204 3.150 3.294 0.184 6 0 "[ . 1 . 2]" 1
1472 1 125 ASP HA 1 128 LYS H . . 3.670 3.710 3.530 3.765 0.095 6 0 "[ . 1 . 2]" 1
1473 1 125 ASP HA 1 129 LEU H . . 3.670 3.746 3.688 3.794 0.124 17 0 "[ . 1 . 2]" 1
1474 1 125 ASP QB 1 126 ASP H . . 4.110 3.546 3.217 3.718 . 0 0 "[ . 1 . 2]" 1
1475 1 126 ASP H 1 126 ASP HA . . 2.860 2.960 2.933 2.976 0.116 20 0 "[ . 1 . 2]" 1
1476 1 126 ASP H 1 126 ASP HB2 . . 3.020 2.961 2.843 3.106 0.086 20 0 "[ . 1 . 2]" 1
1477 1 126 ASP H 1 126 ASP QB . . 2.730 2.243 2.189 2.327 . 0 0 "[ . 1 . 2]" 1
1478 1 126 ASP H 1 126 ASP HB3 . . 3.020 2.326 2.246 2.455 . 0 0 "[ . 1 . 2]" 1
1479 1 126 ASP H 1 127 LEU H . . 2.990 2.205 2.030 2.342 . 0 0 "[ . 1 . 2]" 1
1480 1 126 ASP H 1 128 LYS H . . 3.640 2.968 2.783 3.108 . 0 0 "[ . 1 . 2]" 1
1481 1 126 ASP H 1 129 LEU HG . . 3.790 3.775 3.639 3.874 0.084 1 0 "[ . 1 . 2]" 1
1482 1 126 ASP HA 1 127 LEU H . . 3.640 3.636 3.610 3.649 0.009 18 0 "[ . 1 . 2]" 1
1483 1 126 ASP QB 1 127 LEU MD1 . . 6.350 4.177 3.733 4.363 . 0 0 "[ . 1 . 2]" 1
1484 1 127 LEU H 1 127 LEU HB2 . . 3.140 2.556 2.495 2.617 . 0 0 "[ . 1 . 2]" 1
1485 1 127 LEU H 1 127 LEU HB3 . . 3.670 3.723 3.696 3.734 0.064 12 0 "[ . 1 . 2]" 1
1486 1 127 LEU H 1 127 LEU HG . . 4.230 3.801 3.464 4.015 . 0 0 "[ . 1 . 2]" 1
1487 1 127 LEU H 1 128 LYS H . . 2.860 2.115 1.990 2.222 . 0 0 "[ . 1 . 2]" 1
1488 1 127 LEU H 1 128 LYS QB . . 4.670 3.417 3.202 3.672 . 0 0 "[ . 1 . 2]" 1
1489 1 127 LEU HA 1 127 LEU HB2 . . 2.900 3.079 3.075 3.085 0.185 10 0 "[ . 1 . 2]" 1
1490 1 127 LEU HA 1 127 LEU HB3 . . 2.590 2.792 2.747 2.827 0.237 13 0 "[ . 1 . 2]" 1
1491 1 127 LEU HA 1 127 LEU MD1 . . 4.540 3.920 3.915 3.925 . 0 0 "[ . 1 . 2]" 1
1492 1 127 LEU HA 1 127 LEU MD2 . . 4.450 2.207 2.199 2.216 . 0 0 "[ . 1 . 2]" 1
1493 1 127 LEU HA 1 127 LEU HG . . 2.900 2.964 2.915 2.983 0.083 19 0 "[ . 1 . 2]" 1
1494 1 127 LEU HA 1 128 LYS H . . 3.170 3.027 2.881 3.178 0.008 4 0 "[ . 1 . 2]" 1
1495 1 127 LEU HA 1 129 LEU H . . 4.040 3.624 3.493 3.917 . 0 0 "[ . 1 . 2]" 1
1496 1 127 LEU HB2 1 127 LEU HG . . 2.650 2.782 2.771 2.799 0.149 14 0 "[ . 1 . 2]" 1
1497 1 128 LYS H 1 128 LYS HA . . 2.740 2.878 2.854 2.908 0.168 4 0 "[ . 1 . 2]" 1
1498 1 128 LYS H 1 128 LYS QB . . 3.360 2.726 2.644 2.854 . 0 0 "[ . 1 . 2]" 1
1499 1 128 LYS H 1 128 LYS QG . . 4.950 3.959 3.702 4.368 . 0 0 "[ . 1 . 2]" 1
1500 1 128 LYS H 1 129 LEU H . . 3.420 2.093 1.967 2.320 . 0 0 "[ . 1 . 2]" 1
1501 1 128 LYS H 1 129 LEU MD1 . . 4.760 3.860 3.840 3.874 . 0 0 "[ . 1 . 2]" 1
1502 1 128 LYS H 1 129 LEU HG . . 3.240 2.961 2.886 3.078 . 0 0 "[ . 1 . 2]" 1
1503 1 128 LYS HA 1 128 LYS QB . . 2.600 2.618 2.572 2.645 0.045 20 0 "[ . 1 . 2]" 1
1504 1 128 LYS HA 1 128 LYS QD . . 4.610 3.648 2.410 4.144 . 0 0 "[ . 1 . 2]" 1
1505 1 128 LYS HA 1 129 LEU H . . 2.900 2.639 2.532 2.824 . 0 0 "[ . 1 . 2]" 1
1506 1 128 LYS QB 1 129 LEU H . . 4.150 3.833 3.819 3.861 . 0 0 "[ . 1 . 2]" 1
1507 1 128 LYS QG 1 129 LEU H . . 5.320 4.540 4.420 4.676 . 0 0 "[ . 1 . 2]" 1
1508 1 129 LEU H 1 129 LEU QB . . 3.280 2.279 2.206 2.395 . 0 0 "[ . 1 . 2]" 1
1509 1 129 LEU H 1 129 LEU MD1 . . 4.760 2.842 2.726 2.961 . 0 0 "[ . 1 . 2]" 1
1510 1 129 LEU H 1 129 LEU MD2 . . 4.450 3.782 3.736 3.806 . 0 0 "[ . 1 . 2]" 1
1511 1 129 LEU H 1 129 LEU HG . . 2.740 2.398 2.347 2.464 . 0 0 "[ . 1 . 2]" 1
1512 1 129 LEU HA 1 129 LEU MD2 . . 3.920 2.761 2.601 2.886 . 0 0 "[ . 1 . 2]" 1
1513 1 129 LEU HA 1 129 LEU HG . . 3.730 2.961 2.899 2.999 . 0 0 "[ . 1 . 2]" 1
1514 1 129 LEU HA 1 130 PRO QD . . 2.900 2.302 2.195 2.445 . 0 0 "[ . 1 . 2]" 1
1515 1 129 LEU QB 1 129 LEU HG . . 2.590 2.635 2.611 2.658 0.068 15 0 "[ . 1 . 2]" 1
1516 1 129 LEU QB 1 130 PRO QD . . 3.940 2.134 2.032 2.195 . 0 0 "[ . 1 . 2]" 1
1517 1 129 LEU HB2 1 130 PRO QD . . 4.650 3.479 3.423 3.550 . 0 0 "[ . 1 . 2]" 1
1518 1 129 LEU HB3 1 130 PRO QD . . 4.650 2.154 2.048 2.216 . 0 0 "[ . 1 . 2]" 1
1519 1 129 LEU MD1 1 130 PRO QD . . 5.330 3.983 3.904 4.031 . 0 0 "[ . 1 . 2]" 1
1520 1 129 LEU MD2 1 130 PRO QD . . 5.640 2.608 2.369 2.733 . 0 0 "[ . 1 . 2]" 1
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