NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638925 |
6q2z   |
34334 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6q2z
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 2290
_Distance_constraint_stats_list.Viol_count 7165
_Distance_constraint_stats_list.Viol_total 10198.444
_Distance_constraint_stats_list.Viol_max 0.952
_Distance_constraint_stats_list.Viol_rms 0.0378
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.0712
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 2.710 0.171 4 0 "[ . 1 . 2]"
1 2 ASN 9.545 0.952 11 5 "[ . *+ * * - 2]"
1 3 LYS 12.456 0.952 11 5 "[ . *+ * * * 2]"
1 4 ALA 2.394 0.108 4 0 "[ . 1 . 2]"
1 5 HIS 11.984 0.347 1 0 "[ . 1 . 2]"
1 6 PHE 12.146 0.217 18 0 "[ . 1 . 2]"
1 7 GLU 5.314 0.158 4 0 "[ . 1 . 2]"
1 8 VAL 4.306 0.138 17 0 "[ . 1 . 2]"
1 9 PHE 5.907 0.132 2 0 "[ . 1 . 2]"
1 10 VAL 10.693 0.192 8 0 "[ . 1 . 2]"
1 11 ASP 8.282 0.168 19 0 "[ . 1 . 2]"
1 12 ALA 5.085 0.168 19 0 "[ . 1 . 2]"
1 13 ALA 2.225 0.141 3 0 "[ . 1 . 2]"
1 14 ASP 11.032 0.298 13 0 "[ . 1 . 2]"
1 15 LYS 16.137 0.298 13 0 "[ . 1 . 2]"
1 16 TYR 8.341 0.213 13 0 "[ . 1 . 2]"
1 17 ARG 2.166 0.270 4 0 "[ . 1 . 2]"
1 18 TRP 13.715 0.327 8 0 "[ . 1 . 2]"
1 19 ARG 12.076 0.327 8 0 "[ . 1 . 2]"
1 20 LEU 10.063 0.146 8 0 "[ . 1 . 2]"
1 21 VAL 7.148 0.140 18 0 "[ . 1 . 2]"
1 22 HIS 12.178 0.370 1 0 "[ . 1 . 2]"
1 23 ASP 2.825 0.141 17 0 "[ . 1 . 2]"
1 24 ASN 4.851 0.180 14 0 "[ . 1 . 2]"
1 25 GLY 7.768 0.188 17 0 "[ . 1 . 2]"
1 26 ASN 17.306 0.370 1 0 "[ . 1 . 2]"
1 27 ILE 3.636 0.246 15 0 "[ . 1 . 2]"
1 28 LEU 15.428 0.404 12 0 "[ . 1 . 2]"
1 29 ALA 12.160 0.404 12 0 "[ . 1 . 2]"
1 30 ASP 3.729 0.110 10 0 "[ . 1 . 2]"
1 31 SER 12.789 0.269 16 0 "[ . 1 . 2]"
1 32 GLY 3.657 0.161 8 0 "[ . 1 . 2]"
1 33 GLU 7.669 0.421 18 0 "[ . 1 . 2]"
1 34 GLY 2.268 0.270 4 0 "[ . 1 . 2]"
1 35 TYR 3.999 0.216 13 0 "[ . 1 . 2]"
1 36 ALA 1.610 0.175 6 0 "[ . 1 . 2]"
1 37 SER 6.961 0.144 7 0 "[ . 1 . 2]"
1 38 LYS 9.463 0.636 19 1 "[ . 1 . +2]"
1 39 GLN 5.751 0.175 9 0 "[ . 1 . 2]"
1 40 LYS 2.252 0.133 11 0 "[ . 1 . 2]"
1 41 ALA 5.191 0.233 19 0 "[ . 1 . 2]"
1 42 LYS 10.230 0.943 19 1 "[ . 1 . +2]"
1 43 GLN 7.330 0.730 19 1 "[ . 1 . +2]"
1 44 GLY 4.780 0.222 11 0 "[ . 1 . 2]"
1 45 ILE 15.930 0.236 13 0 "[ . 1 . 2]"
1 46 GLU 9.309 0.223 19 0 "[ . 1 . 2]"
1 47 SER 0.414 0.058 3 0 "[ . 1 . 2]"
1 48 VAL 7.592 0.183 4 0 "[ . 1 . 2]"
1 49 LYS 8.114 0.244 8 0 "[ . 1 . 2]"
1 50 ARG 9.524 0.265 1 0 "[ . 1 . 2]"
1 51 ASN 11.879 0.229 12 0 "[ . 1 . 2]"
1 52 ALA 11.602 0.183 4 0 "[ . 1 . 2]"
1 53 PRO 6.924 0.244 8 0 "[ . 1 . 2]"
1 54 ASP 7.681 0.180 3 0 "[ . 1 . 2]"
1 55 ALA 10.027 0.152 14 0 "[ . 1 . 2]"
1 56 ASP 8.937 0.162 6 0 "[ . 1 . 2]"
1 57 VAL 0.881 0.082 9 0 "[ . 1 . 2]"
1 58 ILE 10.680 0.193 9 0 "[ . 1 . 2]"
1 59 GLU 16.367 0.290 20 0 "[ . 1 . 2]"
1 60 ALA 8.471 0.209 1 0 "[ . 1 . 2]"
2 1 MET 2.444 0.229 12 0 "[ . 1 . 2]"
2 2 ASN 4.743 0.179 2 0 "[ . 1 . 2]"
2 3 LYS 1.970 0.374 11 0 "[ . 1 . 2]"
2 4 ALA 2.435 0.106 18 0 "[ . 1 . 2]"
2 5 HIS 12.142 0.179 2 0 "[ . 1 . 2]"
2 6 PHE 11.747 0.164 20 0 "[ . 1 . 2]"
2 7 GLU 6.028 0.164 20 0 "[ . 1 . 2]"
2 8 VAL 4.655 0.115 18 0 "[ . 1 . 2]"
2 9 PHE 6.261 0.253 10 0 "[ . 1 . 2]"
2 10 VAL 8.243 0.162 4 0 "[ . 1 . 2]"
2 11 ASP 8.511 0.162 2 0 "[ . 1 . 2]"
2 12 ALA 5.729 0.162 2 0 "[ . 1 . 2]"
2 13 ALA 2.999 0.162 4 0 "[ . 1 . 2]"
2 14 ASP 4.002 0.263 11 0 "[ . 1 . 2]"
2 15 LYS 10.187 0.263 11 0 "[ . 1 . 2]"
2 16 TYR 10.173 0.249 16 0 "[ . 1 . 2]"
2 17 ARG 3.202 0.261 5 0 "[ . 1 . 2]"
2 18 TRP 13.930 0.303 9 0 "[ . 1 . 2]"
2 19 ARG 11.324 0.319 16 0 "[ . 1 . 2]"
2 20 LEU 10.595 0.155 14 0 "[ . 1 . 2]"
2 21 VAL 7.539 0.135 19 0 "[ . 1 . 2]"
2 22 HIS 11.511 0.338 11 0 "[ . 1 . 2]"
2 23 ASP 2.577 0.156 1 0 "[ . 1 . 2]"
2 24 ASN 5.152 0.193 15 0 "[ . 1 . 2]"
2 25 GLY 7.710 0.199 3 0 "[ . 1 . 2]"
2 26 ASN 17.335 0.338 11 0 "[ . 1 . 2]"
2 27 ILE 3.586 0.421 18 0 "[ . 1 . 2]"
2 28 LEU 15.551 0.389 16 0 "[ . 1 . 2]"
2 29 ALA 11.847 0.389 16 0 "[ . 1 . 2]"
2 30 ASP 3.326 0.314 10 0 "[ . 1 . 2]"
2 31 SER 11.984 0.319 16 0 "[ . 1 . 2]"
2 32 GLY 3.932 0.218 20 0 "[ . 1 . 2]"
2 33 GLU 8.007 0.246 15 0 "[ . 1 . 2]"
2 34 GLY 3.396 0.261 5 0 "[ . 1 . 2]"
2 35 TYR 5.270 0.221 13 0 "[ . 1 . 2]"
2 36 ALA 1.699 0.133 3 0 "[ . 1 . 2]"
2 37 SER 6.864 0.146 16 0 "[ . 1 . 2]"
2 38 LYS 10.859 0.394 19 0 "[ . 1 . 2]"
2 39 GLN 5.940 0.203 9 0 "[ . 1 . 2]"
2 40 LYS 2.628 0.125 1 0 "[ . 1 . 2]"
2 41 ALA 6.151 0.249 12 0 "[ . 1 . 2]"
2 42 LYS 10.653 0.852 19 1 "[ . 1 . +2]"
2 43 GLN 7.436 0.852 19 1 "[ . 1 . +2]"
2 44 GLY 5.077 0.225 6 0 "[ . 1 . 2]"
2 45 ILE 15.976 0.233 13 0 "[ . 1 . 2]"
2 46 GLU 9.733 0.175 20 0 "[ . 1 . 2]"
2 47 SER 0.228 0.033 9 0 "[ . 1 . 2]"
2 48 VAL 7.402 0.177 7 0 "[ . 1 . 2]"
2 49 LYS 8.779 0.264 8 0 "[ . 1 . 2]"
2 50 ARG 9.612 0.251 5 0 "[ . 1 . 2]"
2 51 ASN 12.595 0.234 15 0 "[ . 1 . 2]"
2 52 ALA 11.867 0.196 19 0 "[ . 1 . 2]"
2 53 PRO 7.004 0.264 8 0 "[ . 1 . 2]"
2 54 ASP 7.560 0.195 20 0 "[ . 1 . 2]"
2 55 ALA 8.969 0.153 4 0 "[ . 1 . 2]"
2 56 ASP 9.179 0.217 18 0 "[ . 1 . 2]"
2 57 VAL 1.864 0.146 1 0 "[ . 1 . 2]"
2 58 ILE 11.927 0.347 1 0 "[ . 1 . 2]"
2 59 GLU 17.043 0.277 1 0 "[ . 1 . 2]"
2 60 ALA 8.463 0.212 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS HA 1 3 LYS QD 2.810 . 2.810 2.367 2.045 3.121 0.311 10 0 "[ . 1 . 2]" 1
2 1 3 LYS HA 1 3 LYS HG2 3.410 . 3.410 3.133 2.644 3.701 0.291 17 0 "[ . 1 . 2]" 1
3 1 3 LYS HA 1 3 LYS HG3 4.010 . 4.010 3.429 2.363 3.825 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS HB3 1 3 LYS QE 4.130 . 4.130 3.876 1.976 4.344 0.214 17 0 "[ . 1 . 2]" 1
5 1 3 LYS QD 1 3 LYS HG3 2.740 . 2.740 2.353 2.154 2.441 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS QE 1 3 LYS HG3 2.920 . 2.920 2.624 2.227 3.514 0.594 10 2 "[ . +- . 2]" 1
7 1 3 LYS H 1 3 LYS HB2 2.820 . 2.820 2.693 2.552 2.808 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS H 1 3 LYS HG2 4.080 . 4.080 3.716 3.104 4.593 0.513 10 2 "[ . +- . 2]" 1
9 1 3 LYS H 1 3 LYS HG3 4.640 . 4.640 4.395 4.020 4.691 0.051 5 0 "[ . 1 . 2]" 1
10 1 4 ALA H 1 4 ALA MB 3.000 . 3.000 2.882 2.848 2.909 . 0 0 "[ . 1 . 2]" 1
11 1 5 HIS H 1 5 HIS HA 2.830 . 2.830 2.804 2.796 2.817 . 0 0 "[ . 1 . 2]" 1
12 1 5 HIS H 1 5 HIS HB3 3.690 . 3.690 3.513 3.462 3.556 . 0 0 "[ . 1 . 2]" 1
13 1 6 PHE HA 1 6 PHE QD 3.650 . 3.650 2.588 2.536 2.666 . 0 0 "[ . 1 . 2]" 1
14 1 6 PHE H 1 6 PHE HB3 3.630 . 3.630 3.574 3.563 3.599 . 0 0 "[ . 1 . 2]" 1
15 1 6 PHE H 1 6 PHE HB2 2.590 . 2.590 2.306 2.285 2.340 . 0 0 "[ . 1 . 2]" 1
16 1 6 PHE H 1 6 PHE QD 3.500 . 3.500 2.943 2.847 3.029 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLU HA 1 7 GLU HG2 3.320 . 3.320 2.449 2.374 2.536 . 0 0 "[ . 1 . 2]" 1
18 1 7 GLU H 1 7 GLU QB 2.960 . 2.960 2.688 2.661 2.723 . 0 0 "[ . 1 . 2]" 1
19 1 7 GLU H 1 7 GLU HG2 4.220 . 4.220 4.127 4.066 4.160 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLU H 1 7 GLU HG3 3.840 . 3.840 3.288 3.169 3.395 . 0 0 "[ . 1 . 2]" 1
21 1 8 VAL HA 1 8 VAL MG2 3.110 . 3.110 2.379 2.341 2.432 . 0 0 "[ . 1 . 2]" 1
22 1 8 VAL HA 1 8 VAL MG1 3.090 . 3.090 2.451 2.414 2.489 . 0 0 "[ . 1 . 2]" 1
23 1 8 VAL H 1 8 VAL HB 3.220 . 3.220 2.459 2.423 2.494 . 0 0 "[ . 1 . 2]" 1
24 1 8 VAL H 1 8 VAL MG2 2.980 . 2.980 2.517 2.445 2.605 . 0 0 "[ . 1 . 2]" 1
25 1 8 VAL H 1 8 VAL MG1 3.870 . 3.870 3.783 3.766 3.801 . 0 0 "[ . 1 . 2]" 1
26 1 9 PHE HA 1 9 PHE HB3 3.010 . 3.010 2.529 2.503 2.548 . 0 0 "[ . 1 . 2]" 1
27 1 9 PHE HA 1 9 PHE QD 3.740 . 3.740 3.708 3.694 3.727 . 0 0 "[ . 1 . 2]" 1
28 1 9 PHE H 1 9 PHE HB3 3.220 . 3.220 3.201 3.163 3.248 0.028 3 0 "[ . 1 . 2]" 1
29 1 9 PHE H 1 9 PHE QD 2.610 . 2.610 2.265 2.134 2.409 . 0 0 "[ . 1 . 2]" 1
30 1 9 PHE H 1 9 PHE QE 4.230 . 4.230 4.054 3.978 4.151 . 0 0 "[ . 1 . 2]" 1
31 1 10 VAL HA 1 10 VAL MG2 3.090 . 3.090 2.221 2.192 2.239 . 0 0 "[ . 1 . 2]" 1
32 1 10 VAL HA 1 10 VAL MG1 3.000 . 3.000 2.629 2.594 2.655 . 0 0 "[ . 1 . 2]" 1
33 1 10 VAL H 1 10 VAL HB 2.550 . 2.550 2.413 2.362 2.460 . 0 0 "[ . 1 . 2]" 1
34 1 10 VAL H 1 10 VAL MG2 3.400 . 3.400 3.079 3.000 3.163 . 0 0 "[ . 1 . 2]" 1
35 1 10 VAL H 1 10 VAL MG1 3.930 . 3.930 3.666 3.641 3.687 . 0 0 "[ . 1 . 2]" 1
36 1 11 ASP H 1 11 ASP HA 2.930 . 2.930 2.882 2.865 2.901 . 0 0 "[ . 1 . 2]" 1
37 1 11 ASP H 1 11 ASP HB2 2.830 . 2.830 2.419 2.365 2.533 . 0 0 "[ . 1 . 2]" 1
38 1 11 ASP H 1 11 ASP HB3 3.040 . 3.040 2.662 2.605 2.703 . 0 0 "[ . 1 . 2]" 1
39 1 12 ALA H 1 12 ALA MB 2.490 . 2.490 2.249 2.235 2.258 . 0 0 "[ . 1 . 2]" 1
40 1 13 ALA H 1 13 ALA MB 2.550 . 2.550 2.399 2.348 2.476 . 0 0 "[ . 1 . 2]" 1
41 1 14 ASP H 1 14 ASP HA 2.400 . 2.400 2.267 2.253 2.277 . 0 0 "[ . 1 . 2]" 1
42 1 14 ASP H 1 14 ASP HB2 3.940 . 3.940 3.661 3.501 3.728 . 0 0 "[ . 1 . 2]" 1
43 1 14 ASP H 1 14 ASP HB3 4.090 . 4.090 4.118 4.070 4.135 0.045 10 0 "[ . 1 . 2]" 1
44 1 15 LYS HA 1 15 LYS HB3 2.820 . 2.820 2.347 2.324 2.404 . 0 0 "[ . 1 . 2]" 1
45 1 15 LYS HB3 1 15 LYS HD3 3.000 . 3.000 2.561 2.425 3.020 0.020 2 0 "[ . 1 . 2]" 1
46 1 15 LYS HB3 1 15 LYS HD2 2.700 . 2.700 2.433 2.318 2.549 . 0 0 "[ . 1 . 2]" 1
47 1 15 LYS HB2 1 15 LYS HD3 3.890 . 3.890 3.675 3.627 3.753 . 0 0 "[ . 1 . 2]" 1
48 1 15 LYS H 1 15 LYS HB2 2.660 . 2.660 2.664 2.613 2.715 0.055 14 0 "[ . 1 . 2]" 1
49 1 15 LYS H 1 15 LYS HD3 4.450 . 4.450 4.413 3.558 4.625 0.175 14 0 "[ . 1 . 2]" 1
50 1 15 LYS H 1 15 LYS HD2 5.000 . 5.000 4.812 4.678 4.854 . 0 0 "[ . 1 . 2]" 1
51 1 15 LYS H 1 15 LYS QG 2.770 . 2.770 2.308 2.264 2.427 . 0 0 "[ . 1 . 2]" 1
52 1 16 TYR H 1 16 TYR HB3 3.930 . 3.930 3.673 3.637 3.703 . 0 0 "[ . 1 . 2]" 1
53 1 16 TYR H 1 16 TYR HB2 2.770 . 2.770 2.477 2.415 2.523 . 0 0 "[ . 1 . 2]" 1
54 1 17 ARG H 1 17 ARG QG 4.260 . 4.260 2.807 2.730 2.893 . 0 0 "[ . 1 . 2]" 1
55 1 18 TRP HB3 1 18 TRP HD1 3.470 . 3.470 2.582 2.567 2.606 . 0 0 "[ . 1 . 2]" 1
56 1 18 TRP H 1 18 TRP HB2 4.060 . 4.060 3.941 3.927 3.959 . 0 0 "[ . 1 . 2]" 1
57 1 18 TRP H 1 18 TRP HE1 5.080 . 5.080 4.961 4.883 5.051 . 0 0 "[ . 1 . 2]" 1
58 1 19 ARG HB2 1 19 ARG QD 3.350 . 3.350 2.504 2.142 3.447 0.097 16 0 "[ . 1 . 2]" 1
59 1 19 ARG H 1 19 ARG HB2 3.330 . 3.330 2.789 2.679 2.833 . 0 0 "[ . 1 . 2]" 1
60 1 19 ARG H 1 19 ARG QD 4.230 . 4.230 4.023 3.813 4.329 0.099 12 0 "[ . 1 . 2]" 1
61 1 19 ARG H 1 19 ARG QG 3.770 . 3.770 3.359 3.002 3.673 . 0 0 "[ . 1 . 2]" 1
62 1 20 LEU HA 1 20 LEU MD1 2.960 . 2.960 1.909 1.877 1.956 . 0 0 "[ . 1 . 2]" 1
63 1 20 LEU HA 1 20 LEU MD2 4.010 . 4.010 3.845 3.832 3.864 . 0 0 "[ . 1 . 2]" 1
64 1 20 LEU HA 1 20 LEU HG 3.440 . 3.440 3.035 3.004 3.071 . 0 0 "[ . 1 . 2]" 1
65 1 20 LEU HB2 1 20 LEU MD2 2.850 . 2.850 2.382 2.354 2.407 . 0 0 "[ . 1 . 2]" 1
66 1 20 LEU HB3 1 20 LEU MD2 3.520 . 3.520 2.349 2.330 2.378 . 0 0 "[ . 1 . 2]" 1
67 1 20 LEU H 1 20 LEU HB2 2.790 . 2.790 2.761 2.707 2.816 0.026 12 0 "[ . 1 . 2]" 1
68 1 20 LEU H 1 20 LEU HB3 3.550 . 3.550 2.601 2.563 2.644 . 0 0 "[ . 1 . 2]" 1
69 1 20 LEU H 1 20 LEU MD1 4.240 . 4.240 4.184 4.158 4.219 . 0 0 "[ . 1 . 2]" 1
70 1 20 LEU H 1 20 LEU MD2 4.440 . 4.440 4.415 4.385 4.456 0.016 12 0 "[ . 1 . 2]" 1
71 1 21 VAL HA 1 21 VAL QG 2.990 . 2.990 2.128 2.117 2.140 . 0 0 "[ . 1 . 2]" 1
72 1 21 VAL H 1 21 VAL HB 3.230 . 3.230 2.826 2.795 2.883 . 0 0 "[ . 1 . 2]" 1
73 1 21 VAL H 1 21 VAL QG 2.790 . 2.790 2.586 2.518 2.641 . 0 0 "[ . 1 . 2]" 1
74 1 22 HIS HA 1 22 HIS HD2 4.250 . 4.250 3.022 2.695 3.184 . 0 0 "[ . 1 . 2]" 1
75 1 22 HIS H 1 22 HIS HB3 3.160 . 3.160 2.894 2.826 2.961 . 0 0 "[ . 1 . 2]" 1
76 1 22 HIS H 1 22 HIS HB2 2.640 . 2.640 2.286 2.257 2.313 . 0 0 "[ . 1 . 2]" 1
77 1 22 HIS H 1 22 HIS HD2 4.580 . 4.580 4.628 4.536 4.674 0.094 9 0 "[ . 1 . 2]" 1
78 1 23 ASP H 1 23 ASP HA 2.940 . 2.940 2.774 2.717 2.805 . 0 0 "[ . 1 . 2]" 1
79 1 23 ASP H 1 23 ASP HB3 3.220 . 3.220 2.559 2.444 2.675 . 0 0 "[ . 1 . 2]" 1
80 1 23 ASP H 1 23 ASP HB2 2.680 . 2.680 2.482 2.297 2.574 . 0 0 "[ . 1 . 2]" 1
81 1 24 ASN HA 1 24 ASN HB3 2.910 . 2.910 2.327 2.305 2.359 . 0 0 "[ . 1 . 2]" 1
82 1 24 ASN HA 1 24 ASN HD22 5.240 . 5.240 4.980 4.903 5.048 . 0 0 "[ . 1 . 2]" 1
83 1 24 ASN HA 1 24 ASN HD21 4.750 . 4.750 4.571 4.532 4.605 . 0 0 "[ . 1 . 2]" 1
84 1 24 ASN HB3 1 24 ASN HD22 3.940 . 3.940 3.784 3.766 3.823 . 0 0 "[ . 1 . 2]" 1
85 1 24 ASN HB3 1 24 ASN HD21 3.140 . 3.140 2.950 2.927 3.009 . 0 0 "[ . 1 . 2]" 1
86 1 24 ASN HB2 1 24 ASN HD22 3.640 . 3.640 3.429 3.409 3.444 . 0 0 "[ . 1 . 2]" 1
87 1 24 ASN HB2 1 24 ASN HD21 3.010 . 3.010 2.140 2.108 2.160 . 0 0 "[ . 1 . 2]" 1
88 1 24 ASN H 1 24 ASN HB2 3.070 . 3.070 2.869 2.799 2.954 . 0 0 "[ . 1 . 2]" 1
89 1 25 GLY H 1 25 GLY HA2 2.550 . 2.550 2.424 2.407 2.442 . 0 0 "[ . 1 . 2]" 1
90 1 26 ASN HA 1 26 ASN HD22 5.080 . 5.080 4.856 4.825 4.975 . 0 0 "[ . 1 . 2]" 1
91 1 26 ASN HA 1 26 ASN HD21 4.200 . 4.200 3.619 3.552 3.976 . 0 0 "[ . 1 . 2]" 1
92 1 26 ASN HB2 1 26 ASN HD22 3.590 . 3.590 3.625 3.523 3.646 0.056 2 0 "[ . 1 . 2]" 1
93 1 26 ASN HB2 1 26 ASN HD21 2.860 . 2.860 2.660 2.364 2.720 . 0 0 "[ . 1 . 2]" 1
94 1 26 ASN H 1 26 ASN HB3 3.670 . 3.670 3.158 3.133 3.188 . 0 0 "[ . 1 . 2]" 1
95 1 26 ASN H 1 26 ASN HB2 3.570 . 3.570 3.544 3.475 3.563 . 0 0 "[ . 1 . 2]" 1
96 1 26 ASN H 1 26 ASN HD22 3.570 . 3.570 2.892 2.833 3.041 . 0 0 "[ . 1 . 2]" 1
97 1 26 ASN H 1 26 ASN HD21 3.530 . 3.530 2.426 2.312 2.961 . 0 0 "[ . 1 . 2]" 1
98 1 27 ILE HA 1 27 ILE MD 3.290 . 3.290 2.056 1.997 2.103 . 0 0 "[ . 1 . 2]" 1
99 1 27 ILE HA 1 27 ILE HG13 3.860 . 3.860 3.741 3.716 3.767 . 0 0 "[ . 1 . 2]" 1
100 1 27 ILE HA 1 27 ILE MG 3.070 . 3.070 2.388 2.360 2.424 . 0 0 "[ . 1 . 2]" 1
101 1 27 ILE HG13 1 27 ILE MG 2.880 . 2.880 2.323 2.279 2.366 . 0 0 "[ . 1 . 2]" 1
102 1 27 ILE HG12 1 27 ILE MG 3.200 . 3.200 3.208 3.202 3.216 0.016 16 0 "[ . 1 . 2]" 1
103 1 27 ILE H 1 27 ILE HB 2.620 . 2.620 2.508 2.465 2.536 . 0 0 "[ . 1 . 2]" 1
104 1 27 ILE H 1 27 ILE MD 3.630 . 3.630 3.302 3.209 3.481 . 0 0 "[ . 1 . 2]" 1
105 1 27 ILE H 1 27 ILE HG13 4.100 . 4.100 3.728 3.681 3.797 . 0 0 "[ . 1 . 2]" 1
106 1 27 ILE H 1 27 ILE HG12 2.740 . 2.740 2.293 2.231 2.389 . 0 0 "[ . 1 . 2]" 1
107 1 27 ILE H 1 27 ILE MG 3.780 . 3.780 3.780 3.770 3.792 0.012 2 0 "[ . 1 . 2]" 1
108 1 28 LEU HA 1 28 LEU MD2 2.850 . 2.850 2.278 2.201 2.328 . 0 0 "[ . 1 . 2]" 1
109 1 28 LEU HA 1 28 LEU HG 3.730 . 3.730 3.047 3.016 3.069 . 0 0 "[ . 1 . 2]" 1
110 1 28 LEU H 1 28 LEU QB 2.950 . 2.950 2.454 2.423 2.493 . 0 0 "[ . 1 . 2]" 1
111 1 28 LEU H 1 28 LEU MD1 3.310 . 3.310 3.347 3.314 3.390 0.080 4 0 "[ . 1 . 2]" 1
112 1 28 LEU H 1 28 LEU HG 2.770 . 2.770 2.280 2.228 2.357 . 0 0 "[ . 1 . 2]" 1
113 1 29 ALA H 1 29 ALA MB 2.620 . 2.620 2.647 2.620 2.673 0.053 17 0 "[ . 1 . 2]" 1
114 1 30 ASP H 1 30 ASP HB3 2.980 . 2.980 2.694 2.617 2.764 . 0 0 "[ . 1 . 2]" 1
115 1 30 ASP H 1 30 ASP HB2 3.810 . 3.810 3.262 3.188 3.396 . 0 0 "[ . 1 . 2]" 1
116 1 31 SER H 1 31 SER HA 2.860 . 2.860 2.801 2.768 2.830 . 0 0 "[ . 1 . 2]" 1
117 1 31 SER H 1 31 SER QB 2.810 . 2.810 2.536 2.412 2.579 . 0 0 "[ . 1 . 2]" 1
118 1 32 GLY H 1 32 GLY HA2 2.620 . 2.620 2.339 2.318 2.353 . 0 0 "[ . 1 . 2]" 1
119 1 33 GLU HA 1 33 GLU HB3 3.010 . 3.010 2.511 2.415 2.574 . 0 0 "[ . 1 . 2]" 1
120 1 33 GLU HA 1 33 GLU HG2 3.820 . 3.820 2.735 2.370 2.986 . 0 0 "[ . 1 . 2]" 1
121 1 33 GLU H 1 33 GLU HB2 2.750 . 2.750 2.436 2.353 2.597 . 0 0 "[ . 1 . 2]" 1
122 1 33 GLU H 1 33 GLU HG3 4.410 . 4.410 3.418 2.290 4.149 . 0 0 "[ . 1 . 2]" 1
123 1 33 GLU H 1 33 GLU HG2 3.900 . 3.900 3.253 2.706 4.139 0.239 13 0 "[ . 1 . 2]" 1
124 1 34 GLY H 1 34 GLY HA2 2.930 . 2.930 2.915 2.825 2.952 0.022 6 0 "[ . 1 . 2]" 1
125 1 35 TYR H 1 35 TYR HB2 3.920 . 3.920 2.830 2.722 2.940 . 0 0 "[ . 1 . 2]" 1
126 1 35 TYR H 1 35 TYR QD 3.660 . 3.660 3.314 3.034 3.552 . 0 0 "[ . 1 . 2]" 1
127 1 35 TYR H 1 35 TYR QE 5.330 . 5.330 5.201 4.838 5.360 0.030 10 0 "[ . 1 . 2]" 1
128 1 37 SER H 1 37 SER HB3 4.010 . 4.010 3.773 3.285 3.928 . 0 0 "[ . 1 . 2]" 1
129 1 37 SER H 1 37 SER HB2 3.650 . 3.650 2.983 2.776 3.705 0.055 14 0 "[ . 1 . 2]" 1
130 1 38 LYS HA 1 38 LYS HG2 3.780 . 3.780 3.688 3.642 3.754 . 0 0 "[ . 1 . 2]" 1
131 1 38 LYS QE 1 38 LYS HG3 3.290 . 3.290 2.765 2.383 3.481 0.191 5 0 "[ . 1 . 2]" 1
132 1 38 LYS H 1 38 LYS HB3 2.830 . 2.830 2.524 2.475 2.609 . 0 0 "[ . 1 . 2]" 1
133 1 38 LYS H 1 38 LYS QD 3.610 . 3.610 3.550 3.286 3.911 0.301 5 0 "[ . 1 . 2]" 1
134 1 38 LYS H 1 38 LYS QE 4.450 . 4.450 4.182 2.791 4.573 0.123 19 0 "[ . 1 . 2]" 1
135 1 38 LYS H 1 38 LYS HG2 4.380 . 4.380 2.073 1.854 2.231 . 0 0 "[ . 1 . 2]" 1
136 1 38 LYS H 1 38 LYS HG3 5.110 . 5.110 3.466 3.202 3.588 . 0 0 "[ . 1 . 2]" 1
137 1 39 GLN HA 1 39 GLN HB2 2.860 . 2.860 2.443 2.392 2.468 . 0 0 "[ . 1 . 2]" 1
138 1 39 GLN HA 1 39 GLN QG 3.180 . 3.180 2.479 2.443 2.528 . 0 0 "[ . 1 . 2]" 1
139 1 39 GLN HE22 1 39 GLN QG 3.630 . 3.630 3.481 3.472 3.492 . 0 0 "[ . 1 . 2]" 1
140 1 39 GLN H 1 39 GLN HB2 4.000 . 4.000 2.552 2.510 2.643 . 0 0 "[ . 1 . 2]" 1
141 1 39 GLN H 1 39 GLN HE21 4.610 . 4.610 4.112 4.007 4.209 . 0 0 "[ . 1 . 2]" 1
142 1 40 LYS HA 1 40 LYS QD 3.660 . 3.660 2.448 2.003 3.125 . 0 0 "[ . 1 . 2]" 1
143 1 40 LYS HA 1 40 LYS HG3 3.390 . 3.390 3.136 3.011 3.284 . 0 0 "[ . 1 . 2]" 1
144 1 40 LYS HA 1 40 LYS HG2 3.900 . 3.900 3.821 3.753 3.883 . 0 0 "[ . 1 . 2]" 1
145 1 40 LYS H 1 40 LYS HA 2.930 . 2.930 2.796 2.770 2.813 . 0 0 "[ . 1 . 2]" 1
146 1 40 LYS H 1 40 LYS QB 2.400 . 2.400 2.244 2.211 2.275 . 0 0 "[ . 1 . 2]" 1
147 1 40 LYS H 1 40 LYS HG3 4.450 . 4.450 4.446 4.397 4.488 0.038 11 0 "[ . 1 . 2]" 1
148 1 40 LYS H 1 40 LYS HG2 4.680 . 4.680 4.598 4.538 4.643 . 0 0 "[ . 1 . 2]" 1
149 1 41 ALA H 1 41 ALA HA 2.850 . 2.850 2.789 2.778 2.801 . 0 0 "[ . 1 . 2]" 1
150 1 41 ALA H 1 41 ALA MB 2.400 . 2.400 2.242 2.228 2.255 . 0 0 "[ . 1 . 2]" 1
151 1 42 LYS HA 1 42 LYS QD 4.380 . 4.380 3.782 3.730 3.876 . 0 0 "[ . 1 . 2]" 1
152 1 42 LYS HA 1 42 LYS HG2 3.610 . 3.610 2.389 2.337 2.565 . 0 0 "[ . 1 . 2]" 1
153 1 42 LYS HA 1 42 LYS HG3 3.840 . 3.840 3.320 3.244 3.443 . 0 0 "[ . 1 . 2]" 1
154 1 42 LYS HE2 1 42 LYS HG3 3.070 . 3.070 2.496 2.371 3.636 0.566 19 1 "[ . 1 . +2]" 1
155 1 42 LYS H 1 42 LYS HA 2.850 . 2.850 2.793 2.778 2.813 . 0 0 "[ . 1 . 2]" 1
156 1 42 LYS H 1 42 LYS HB2 3.700 . 3.700 2.554 2.513 2.703 . 0 0 "[ . 1 . 2]" 1
157 1 42 LYS H 1 42 LYS HB3 3.790 . 3.790 3.568 3.543 3.601 . 0 0 "[ . 1 . 2]" 1
158 1 42 LYS H 1 42 LYS QD 4.270 . 4.270 4.121 4.067 4.169 . 0 0 "[ . 1 . 2]" 1
159 1 42 LYS H 1 42 LYS HE2 4.640 . 4.640 4.280 3.995 5.583 0.943 19 1 "[ . 1 . +2]" 1
160 1 42 LYS H 1 42 LYS HG2 2.790 . 2.790 2.865 2.772 2.906 0.116 3 0 "[ . 1 . 2]" 1
161 1 42 LYS H 1 42 LYS HG3 2.400 . 2.400 2.135 2.020 2.223 . 0 0 "[ . 1 . 2]" 1
162 1 43 GLN HA 1 43 GLN HE21 3.920 . 3.920 3.038 2.938 3.153 . 0 0 "[ . 1 . 2]" 1
163 1 43 GLN HA 1 43 GLN HE22 4.090 . 4.090 3.328 3.251 3.419 . 0 0 "[ . 1 . 2]" 1
164 1 43 GLN HA 1 43 GLN HG2 4.110 . 4.110 3.357 3.325 3.381 . 0 0 "[ . 1 . 2]" 1
165 1 43 GLN QB 1 43 GLN HE21 4.290 . 4.290 3.580 3.546 3.625 . 0 0 "[ . 1 . 2]" 1
166 1 43 GLN QB 1 43 GLN HE22 4.570 . 4.570 4.272 4.246 4.317 . 0 0 "[ . 1 . 2]" 1
167 1 43 GLN HE22 1 43 GLN HG3 4.070 . 4.070 4.034 4.022 4.044 . 0 0 "[ . 1 . 2]" 1
168 1 43 GLN HE22 1 43 GLN HG2 3.520 . 3.520 3.458 3.448 3.473 . 0 0 "[ . 1 . 2]" 1
169 1 43 GLN H 1 43 GLN HA 2.850 . 2.850 2.823 2.807 2.830 . 0 0 "[ . 1 . 2]" 1
170 1 43 GLN H 1 43 GLN QB 3.220 . 3.220 2.563 2.522 2.591 . 0 0 "[ . 1 . 2]" 1
171 1 43 GLN H 1 43 GLN HG3 4.590 . 4.590 3.847 3.735 3.925 . 0 0 "[ . 1 . 2]" 1
172 1 43 GLN H 1 43 GLN HG2 3.190 . 3.190 2.386 2.235 2.505 . 0 0 "[ . 1 . 2]" 1
173 1 44 GLY H 1 44 GLY QA 2.400 . 2.400 2.211 2.206 2.218 . 0 0 "[ . 1 . 2]" 1
174 1 45 ILE HA 1 45 ILE QG 3.490 . 3.490 2.386 2.321 2.443 . 0 0 "[ . 1 . 2]" 1
175 1 45 ILE HA 1 45 ILE MG 3.110 . 3.110 2.405 2.322 2.476 . 0 0 "[ . 1 . 2]" 1
176 1 45 ILE HB 1 45 ILE MD 3.060 . 3.060 2.299 2.279 2.319 . 0 0 "[ . 1 . 2]" 1
177 1 45 ILE MD 1 45 ILE MG 2.870 . 2.870 2.089 2.045 2.120 . 0 0 "[ . 1 . 2]" 1
178 1 45 ILE H 1 45 ILE HA 2.870 . 2.870 2.799 2.787 2.813 . 0 0 "[ . 1 . 2]" 1
179 1 45 ILE H 1 45 ILE HB 3.390 . 3.390 2.461 2.337 2.549 . 0 0 "[ . 1 . 2]" 1
180 1 45 ILE H 1 45 ILE MD 3.040 . 3.040 3.203 3.171 3.233 0.193 6 0 "[ . 1 . 2]" 1
181 1 45 ILE H 1 45 ILE QG 2.630 . 2.630 1.967 1.864 2.093 . 0 0 "[ . 1 . 2]" 1
182 1 45 ILE H 1 45 ILE MG 3.890 . 3.890 3.728 3.695 3.748 . 0 0 "[ . 1 . 2]" 1
183 1 46 GLU HA 1 46 GLU QB 2.760 . 2.760 2.368 2.320 2.402 . 0 0 "[ . 1 . 2]" 1
184 1 46 GLU HA 1 46 GLU HG3 3.790 . 3.790 3.400 3.014 3.754 . 0 0 "[ . 1 . 2]" 1
185 1 46 GLU HA 1 46 GLU HG2 3.640 . 3.640 2.684 2.517 2.995 . 0 0 "[ . 1 . 2]" 1
186 1 46 GLU H 1 46 GLU QB 2.850 . 2.850 2.484 2.349 2.602 . 0 0 "[ . 1 . 2]" 1
187 1 46 GLU H 1 46 GLU HG3 3.410 . 3.410 2.663 2.074 3.565 0.155 2 0 "[ . 1 . 2]" 1
188 1 46 GLU H 1 46 GLU HG2 3.440 . 3.440 2.867 2.094 3.352 . 0 0 "[ . 1 . 2]" 1
189 1 47 SER H 1 47 SER HB2 2.970 . 2.970 2.520 2.498 2.548 . 0 0 "[ . 1 . 2]" 1
190 1 48 VAL HA 1 48 VAL MG2 2.920 . 2.920 2.200 2.166 2.224 . 0 0 "[ . 1 . 2]" 1
191 1 48 VAL HA 1 48 VAL MG1 3.140 . 3.140 3.187 3.175 3.200 0.060 2 0 "[ . 1 . 2]" 1
192 1 48 VAL H 1 48 VAL HB 2.560 . 2.560 2.423 2.383 2.484 . 0 0 "[ . 1 . 2]" 1
193 1 48 VAL H 1 48 VAL MG2 3.820 . 3.820 3.740 3.713 3.771 . 0 0 "[ . 1 . 2]" 1
194 1 48 VAL H 1 48 VAL MG1 2.670 . 2.670 2.645 2.541 2.715 0.045 19 0 "[ . 1 . 2]" 1
195 1 49 LYS HA 1 49 LYS QG 2.840 . 2.840 2.392 2.361 2.429 . 0 0 "[ . 1 . 2]" 1
196 1 49 LYS HB3 1 49 LYS QE 3.060 . 3.060 2.139 2.086 2.199 . 0 0 "[ . 1 . 2]" 1
197 1 49 LYS H 1 49 LYS HB3 3.900 . 3.900 3.573 3.541 3.591 . 0 0 "[ . 1 . 2]" 1
198 1 49 LYS H 1 49 LYS HB2 2.570 . 2.570 2.398 2.317 2.444 . 0 0 "[ . 1 . 2]" 1
199 1 49 LYS H 1 49 LYS QG 2.630 . 2.630 2.282 2.192 2.397 . 0 0 "[ . 1 . 2]" 1
200 1 50 ARG HA 1 50 ARG QD 3.800 . 3.800 3.554 1.860 4.065 0.265 1 0 "[ . 1 . 2]" 1
201 1 50 ARG HA 1 50 ARG HG3 3.420 . 3.420 2.566 2.247 3.655 0.235 16 0 "[ . 1 . 2]" 1
202 1 50 ARG HA 1 50 ARG HG2 3.470 . 3.470 3.044 2.298 3.684 0.214 12 0 "[ . 1 . 2]" 1
203 1 50 ARG HB3 1 50 ARG QD 3.610 . 3.610 2.687 2.316 3.337 . 0 0 "[ . 1 . 2]" 1
204 1 50 ARG HB2 1 50 ARG QD 3.920 . 3.920 2.363 2.212 3.328 . 0 0 "[ . 1 . 2]" 1
205 1 50 ARG H 1 50 ARG HB3 3.780 . 3.780 2.833 2.507 3.522 . 0 0 "[ . 1 . 2]" 1
206 1 50 ARG H 1 50 ARG HB2 3.610 . 3.610 2.521 2.191 2.722 . 0 0 "[ . 1 . 2]" 1
207 1 50 ARG H 1 50 ARG QD 4.390 . 4.390 4.328 3.361 4.636 0.246 10 0 "[ . 1 . 2]" 1
208 1 50 ARG H 1 50 ARG HG3 4.870 . 4.870 4.307 2.984 4.614 . 0 0 "[ . 1 . 2]" 1
209 1 51 ASN HB2 1 51 ASN HD21 3.210 . 3.210 2.290 2.216 2.344 . 0 0 "[ . 1 . 2]" 1
210 1 51 ASN HB2 1 51 ASN HD22 3.730 . 3.730 3.498 3.449 3.528 . 0 0 "[ . 1 . 2]" 1
211 1 51 ASN HB3 1 51 ASN HD21 3.560 . 3.560 3.489 3.462 3.511 . 0 0 "[ . 1 . 2]" 1
212 1 51 ASN H 1 51 ASN HB2 2.860 . 2.860 2.674 2.580 2.727 . 0 0 "[ . 1 . 2]" 1
213 1 51 ASN H 1 51 ASN HB3 3.880 . 3.880 3.795 3.740 3.832 . 0 0 "[ . 1 . 2]" 1
214 1 51 ASN H 1 51 ASN HD21 3.320 . 3.320 2.900 2.711 3.012 . 0 0 "[ . 1 . 2]" 1
215 1 51 ASN H 1 51 ASN HD22 4.630 . 4.630 4.379 4.255 4.464 . 0 0 "[ . 1 . 2]" 1
216 1 52 ALA H 1 52 ALA HA 2.760 . 2.760 2.782 2.771 2.791 0.031 1 0 "[ . 1 . 2]" 1
217 1 52 ALA H 1 52 ALA MB 2.400 . 2.400 2.242 2.232 2.251 . 0 0 "[ . 1 . 2]" 1
218 1 54 ASP H 1 54 ASP HB2 2.750 . 2.750 2.534 2.469 2.614 . 0 0 "[ . 1 . 2]" 1
219 1 55 ALA H 1 55 ALA MB 2.400 . 2.400 2.217 2.189 2.250 . 0 0 "[ . 1 . 2]" 1
220 1 56 ASP HA 1 56 ASP QB 2.720 . 2.720 2.395 2.367 2.434 . 0 0 "[ . 1 . 2]" 1
221 1 56 ASP H 1 56 ASP QB 2.400 . 2.400 2.375 2.322 2.410 0.010 12 0 "[ . 1 . 2]" 1
222 1 57 VAL H 1 57 VAL HB 3.050 . 3.050 2.960 2.537 3.097 0.047 9 0 "[ . 1 . 2]" 1
223 1 57 VAL H 1 57 VAL QG 2.530 . 2.530 1.896 1.786 2.186 . 0 0 "[ . 1 . 2]" 1
224 1 58 ILE HA 1 58 ILE MG 2.980 . 2.980 2.279 2.241 2.320 . 0 0 "[ . 1 . 2]" 1
225 1 58 ILE HB 1 58 ILE MD 2.980 . 2.980 2.459 2.431 2.492 . 0 0 "[ . 1 . 2]" 1
226 1 58 ILE H 1 58 ILE HB 3.190 . 3.190 2.815 2.746 2.881 . 0 0 "[ . 1 . 2]" 1
227 1 58 ILE H 1 58 ILE HG12 3.550 . 3.550 3.539 3.431 3.597 0.047 10 0 "[ . 1 . 2]" 1
228 1 58 ILE H 1 58 ILE HG13 2.980 . 2.980 2.504 2.369 2.675 . 0 0 "[ . 1 . 2]" 1
229 1 58 ILE H 1 58 ILE MG 4.150 . 4.150 3.910 3.883 3.945 . 0 0 "[ . 1 . 2]" 1
230 1 59 GLU HA 1 59 GLU HG2 2.740 . 2.740 2.606 2.523 2.687 . 0 0 "[ . 1 . 2]" 1
231 1 59 GLU H 1 59 GLU HA 2.910 . 2.910 2.891 2.867 2.902 . 0 0 "[ . 1 . 2]" 1
232 1 59 GLU H 1 59 GLU HB3 3.360 . 3.360 3.618 3.587 3.650 0.290 20 0 "[ . 1 . 2]" 1
233 1 59 GLU H 1 59 GLU HB2 4.110 . 4.110 2.667 2.632 2.704 . 0 0 "[ . 1 . 2]" 1
234 1 59 GLU H 1 59 GLU HG2 2.700 . 2.700 2.922 2.882 2.980 0.280 12 0 "[ . 1 . 2]" 1
235 1 59 GLU H 1 59 GLU HG3 2.710 . 2.710 2.153 2.017 2.349 . 0 0 "[ . 1 . 2]" 1
236 1 60 ALA H 1 60 ALA HA 2.840 . 2.840 2.880 2.854 2.899 0.059 18 0 "[ . 1 . 2]" 1
237 1 60 ALA H 1 60 ALA MB 2.400 . 2.400 2.270 2.242 2.296 . 0 0 "[ . 1 . 2]" 1
238 2 3 LYS HA 2 3 LYS QD 2.810 . 2.810 2.214 2.019 3.184 0.374 11 0 "[ . 1 . 2]" 1
239 2 3 LYS HA 2 3 LYS QG 3.410 . 3.410 2.815 2.351 3.012 . 0 0 "[ . 1 . 2]" 1
240 2 3 LYS HB3 2 3 LYS QE 4.130 . 4.130 3.790 1.950 4.201 0.071 14 0 "[ . 1 . 2]" 1
241 2 3 LYS QE 2 3 LYS QG 2.920 . 2.920 2.311 2.107 2.806 . 0 0 "[ . 1 . 2]" 1
242 2 3 LYS H 2 3 LYS HB2 2.820 . 2.820 2.720 2.600 2.834 0.014 15 0 "[ . 1 . 2]" 1
243 2 3 LYS H 2 3 LYS QG 4.080 . 4.080 3.371 3.018 3.797 . 0 0 "[ . 1 . 2]" 1
244 2 4 ALA H 2 4 ALA MB 3.000 . 3.000 2.875 2.859 2.892 . 0 0 "[ . 1 . 2]" 1
245 2 5 HIS H 2 5 HIS HA 2.830 . 2.830 2.807 2.793 2.824 . 0 0 "[ . 1 . 2]" 1
246 2 5 HIS H 2 5 HIS HB3 3.690 . 3.690 3.516 3.493 3.548 . 0 0 "[ . 1 . 2]" 1
247 2 6 PHE HA 2 6 PHE QD 3.650 . 3.650 2.593 2.518 2.705 . 0 0 "[ . 1 . 2]" 1
248 2 6 PHE H 2 6 PHE HB3 3.630 . 3.630 3.579 3.562 3.601 . 0 0 "[ . 1 . 2]" 1
249 2 6 PHE H 2 6 PHE HB2 2.590 . 2.590 2.311 2.283 2.348 . 0 0 "[ . 1 . 2]" 1
250 2 6 PHE H 2 6 PHE QD 3.500 . 3.500 2.930 2.803 3.058 . 0 0 "[ . 1 . 2]" 1
251 2 7 GLU HA 2 7 GLU HG2 3.320 . 3.320 2.462 2.391 2.556 . 0 0 "[ . 1 . 2]" 1
252 2 7 GLU H 2 7 GLU QB 2.960 . 2.960 2.688 2.662 2.709 . 0 0 "[ . 1 . 2]" 1
253 2 7 GLU H 2 7 GLU HG2 4.220 . 4.220 4.127 4.049 4.165 . 0 0 "[ . 1 . 2]" 1
254 2 7 GLU H 2 7 GLU HG3 3.840 . 3.840 3.266 3.116 3.412 . 0 0 "[ . 1 . 2]" 1
255 2 8 VAL HA 2 8 VAL MG2 3.110 . 3.110 2.375 2.333 2.413 . 0 0 "[ . 1 . 2]" 1
256 2 8 VAL HA 2 8 VAL MG1 3.090 . 3.090 2.453 2.415 2.506 . 0 0 "[ . 1 . 2]" 1
257 2 8 VAL H 2 8 VAL HB 3.220 . 3.220 2.460 2.399 2.512 . 0 0 "[ . 1 . 2]" 1
258 2 8 VAL H 2 8 VAL MG2 2.980 . 2.980 2.527 2.454 2.618 . 0 0 "[ . 1 . 2]" 1
259 2 8 VAL H 2 8 VAL MG1 3.870 . 3.870 3.785 3.755 3.804 . 0 0 "[ . 1 . 2]" 1
260 2 9 PHE HA 2 9 PHE HB3 3.010 . 3.010 2.532 2.505 2.553 . 0 0 "[ . 1 . 2]" 1
261 2 9 PHE HA 2 9 PHE QD 3.740 . 3.740 3.705 3.681 3.729 . 0 0 "[ . 1 . 2]" 1
262 2 9 PHE H 2 9 PHE HB3 3.220 . 3.220 3.199 3.123 3.231 0.011 20 0 "[ . 1 . 2]" 1
263 2 9 PHE H 2 9 PHE QD 2.610 . 2.610 2.228 2.118 2.388 . 0 0 "[ . 1 . 2]" 1
264 2 9 PHE H 2 9 PHE QE 4.230 . 4.230 4.040 3.967 4.116 . 0 0 "[ . 1 . 2]" 1
265 2 10 VAL HA 2 10 VAL MG2 3.090 . 3.090 2.209 2.174 2.243 . 0 0 "[ . 1 . 2]" 1
266 2 10 VAL HA 2 10 VAL MG1 3.000 . 3.000 2.642 2.602 2.781 . 0 0 "[ . 1 . 2]" 1
267 2 10 VAL H 2 10 VAL HB 2.550 . 2.550 2.404 2.331 2.512 . 0 0 "[ . 1 . 2]" 1
268 2 10 VAL H 2 10 VAL MG2 3.400 . 3.400 3.100 3.018 3.302 . 0 0 "[ . 1 . 2]" 1
269 2 10 VAL H 2 10 VAL MG1 3.930 . 3.930 3.647 3.498 3.686 . 0 0 "[ . 1 . 2]" 1
270 2 11 ASP H 2 11 ASP HA 2.930 . 2.930 2.884 2.872 2.897 . 0 0 "[ . 1 . 2]" 1
271 2 11 ASP H 2 11 ASP HB2 2.830 . 2.830 2.452 2.386 2.526 . 0 0 "[ . 1 . 2]" 1
272 2 11 ASP H 2 11 ASP HB3 3.040 . 3.040 2.640 2.598 2.693 . 0 0 "[ . 1 . 2]" 1
273 2 12 ALA H 2 12 ALA MB 2.490 . 2.490 2.246 2.234 2.263 . 0 0 "[ . 1 . 2]" 1
274 2 13 ALA H 2 13 ALA MB 2.550 . 2.550 2.385 2.331 2.431 . 0 0 "[ . 1 . 2]" 1
275 2 14 ASP H 2 14 ASP HA 2.400 . 2.400 2.261 2.241 2.270 . 0 0 "[ . 1 . 2]" 1
276 2 15 LYS HA 2 15 LYS HB3 2.820 . 2.820 2.360 2.329 2.395 . 0 0 "[ . 1 . 2]" 1
277 2 15 LYS HB3 2 15 LYS QD . . 2.700 2.255 2.159 2.422 . 0 0 "[ . 1 . 2]" 1
278 2 15 LYS HB2 2 15 LYS QD 3.890 . 3.890 3.123 2.962 3.311 . 0 0 "[ . 1 . 2]" 1
279 2 15 LYS H 2 15 LYS HB2 2.660 . 2.660 2.657 2.597 2.702 0.042 3 0 "[ . 1 . 2]" 1
280 2 15 LYS H 2 15 LYS QD 4.450 . 4.450 3.927 3.438 4.185 . 0 0 "[ . 1 . 2]" 1
281 2 15 LYS H 2 15 LYS QG 2.770 . 2.770 2.337 2.263 2.443 . 0 0 "[ . 1 . 2]" 1
282 2 16 TYR H 2 16 TYR HB3 3.930 . 3.930 3.665 3.641 3.699 . 0 0 "[ . 1 . 2]" 1
283 2 16 TYR H 2 16 TYR HB2 2.770 . 2.770 2.459 2.413 2.512 . 0 0 "[ . 1 . 2]" 1
284 2 17 ARG H 2 17 ARG QG 4.260 . 4.260 2.812 2.666 2.963 . 0 0 "[ . 1 . 2]" 1
285 2 18 TRP HB3 2 18 TRP HD1 3.470 . 3.470 2.577 2.563 2.601 . 0 0 "[ . 1 . 2]" 1
286 2 18 TRP H 2 18 TRP HB2 4.060 . 4.060 3.949 3.926 3.977 . 0 0 "[ . 1 . 2]" 1
287 2 18 TRP H 2 18 TRP HE1 5.080 . 5.080 4.991 4.894 5.081 0.001 16 0 "[ . 1 . 2]" 1
288 2 19 ARG HB2 2 19 ARG QD 3.350 . 3.350 2.342 2.120 3.236 . 0 0 "[ . 1 . 2]" 1
289 2 19 ARG H 2 19 ARG HB2 3.330 . 3.330 2.786 2.703 2.814 . 0 0 "[ . 1 . 2]" 1
290 2 19 ARG H 2 19 ARG QD 4.230 . 4.230 3.892 3.035 4.347 0.117 12 0 "[ . 1 . 2]" 1
291 2 19 ARG H 2 19 ARG QG 3.770 . 3.770 3.451 3.153 3.835 0.065 10 0 "[ . 1 . 2]" 1
292 2 20 LEU HA 2 20 LEU MD1 2.960 . 2.960 1.912 1.889 1.947 . 0 0 "[ . 1 . 2]" 1
293 2 20 LEU HA 2 20 LEU MD2 4.010 . 4.010 3.844 3.828 3.861 . 0 0 "[ . 1 . 2]" 1
294 2 20 LEU HA 2 20 LEU HG 3.440 . 3.440 3.036 3.018 3.060 . 0 0 "[ . 1 . 2]" 1
295 2 20 LEU HB2 2 20 LEU MD2 2.850 . 2.850 2.383 2.358 2.407 . 0 0 "[ . 1 . 2]" 1
296 2 20 LEU HB3 2 20 LEU MD2 3.520 . 3.520 2.341 2.313 2.380 . 0 0 "[ . 1 . 2]" 1
297 2 20 LEU H 2 20 LEU HB2 2.790 . 2.790 2.751 2.705 2.833 0.043 16 0 "[ . 1 . 2]" 1
298 2 20 LEU H 2 20 LEU HB3 3.550 . 3.550 2.594 2.564 2.625 . 0 0 "[ . 1 . 2]" 1
299 2 20 LEU H 2 20 LEU MD1 4.240 . 4.240 4.179 4.152 4.221 . 0 0 "[ . 1 . 2]" 1
300 2 20 LEU H 2 20 LEU MD2 4.440 . 4.440 4.404 4.386 4.455 0.015 12 0 "[ . 1 . 2]" 1
301 2 21 VAL HA 2 21 VAL QG 2.990 . 2.990 2.131 2.119 2.147 . 0 0 "[ . 1 . 2]" 1
302 2 21 VAL H 2 21 VAL HB 3.230 . 3.230 2.828 2.799 2.878 . 0 0 "[ . 1 . 2]" 1
303 2 21 VAL H 2 21 VAL QG 2.790 . 2.790 2.572 2.504 2.641 . 0 0 "[ . 1 . 2]" 1
304 2 22 HIS HA 2 22 HIS HD2 4.250 . 4.250 3.054 2.621 3.200 . 0 0 "[ . 1 . 2]" 1
305 2 22 HIS H 2 22 HIS HB3 3.160 . 3.160 2.911 2.808 2.987 . 0 0 "[ . 1 . 2]" 1
306 2 22 HIS H 2 22 HIS HB2 2.640 . 2.640 2.283 2.259 2.308 . 0 0 "[ . 1 . 2]" 1
307 2 22 HIS H 2 22 HIS HD2 4.580 . 4.580 4.612 4.508 4.693 0.113 1 0 "[ . 1 . 2]" 1
308 2 23 ASP H 2 23 ASP HA 2.940 . 2.940 2.767 2.726 2.812 . 0 0 "[ . 1 . 2]" 1
309 2 23 ASP H 2 23 ASP HB3 3.220 . 3.220 2.541 2.461 2.602 . 0 0 "[ . 1 . 2]" 1
310 2 23 ASP H 2 23 ASP HB2 2.680 . 2.680 2.496 2.363 2.599 . 0 0 "[ . 1 . 2]" 1
311 2 24 ASN HA 2 24 ASN HB3 2.910 . 2.910 2.338 2.316 2.385 . 0 0 "[ . 1 . 2]" 1
312 2 24 ASN HA 2 24 ASN HD22 5.240 . 5.240 4.936 4.703 4.998 . 0 0 "[ . 1 . 2]" 1
313 2 24 ASN HA 2 24 ASN HD21 4.750 . 4.750 4.540 4.231 4.583 . 0 0 "[ . 1 . 2]" 1
314 2 24 ASN HB3 2 24 ASN HD22 3.940 . 3.940 3.803 3.770 3.958 0.018 18 0 "[ . 1 . 2]" 1
315 2 24 ASN HB3 2 24 ASN HD21 3.140 . 3.140 2.986 2.922 3.291 0.151 18 0 "[ . 1 . 2]" 1
316 2 24 ASN HB2 2 24 ASN HD22 3.640 . 3.640 3.418 3.383 3.432 . 0 0 "[ . 1 . 2]" 1
317 2 24 ASN HB2 2 24 ASN HD21 3.010 . 3.010 2.124 2.058 2.143 . 0 0 "[ . 1 . 2]" 1
318 2 24 ASN H 2 24 ASN HB2 3.070 . 3.070 2.834 2.763 2.903 . 0 0 "[ . 1 . 2]" 1
319 2 25 GLY H 2 25 GLY HA2 2.550 . 2.550 2.419 2.385 2.435 . 0 0 "[ . 1 . 2]" 1
320 2 26 ASN HA 2 26 ASN HD22 5.080 . 5.080 4.863 4.834 4.943 . 0 0 "[ . 1 . 2]" 1
321 2 26 ASN HA 2 26 ASN HD21 4.200 . 4.200 3.624 3.558 3.936 . 0 0 "[ . 1 . 2]" 1
322 2 26 ASN HB2 2 26 ASN HD22 3.590 . 3.590 3.627 3.518 3.650 0.060 2 0 "[ . 1 . 2]" 1
323 2 26 ASN HB2 2 26 ASN HD21 2.860 . 2.860 2.664 2.353 2.725 . 0 0 "[ . 1 . 2]" 1
324 2 26 ASN H 2 26 ASN HB3 3.670 . 3.670 3.159 3.135 3.183 . 0 0 "[ . 1 . 2]" 1
325 2 26 ASN H 2 26 ASN HB2 3.570 . 3.570 3.544 3.496 3.556 . 0 0 "[ . 1 . 2]" 1
326 2 26 ASN H 2 26 ASN HD22 3.570 . 3.570 2.902 2.828 3.018 . 0 0 "[ . 1 . 2]" 1
327 2 26 ASN H 2 26 ASN HD21 3.530 . 3.530 2.425 2.289 2.972 . 0 0 "[ . 1 . 2]" 1
328 2 27 ILE HA 2 27 ILE MD 3.290 . 3.290 2.053 1.965 2.090 . 0 0 "[ . 1 . 2]" 1
329 2 27 ILE HA 2 27 ILE HG13 3.860 . 3.860 3.744 3.723 3.767 . 0 0 "[ . 1 . 2]" 1
330 2 27 ILE HA 2 27 ILE MG 3.070 . 3.070 2.389 2.360 2.417 . 0 0 "[ . 1 . 2]" 1
331 2 27 ILE HG13 2 27 ILE MG 2.880 . 2.880 2.319 2.298 2.340 . 0 0 "[ . 1 . 2]" 1
332 2 27 ILE HG12 2 27 ILE MG 3.200 . 3.200 3.207 3.202 3.212 0.012 15 0 "[ . 1 . 2]" 1
333 2 27 ILE H 2 27 ILE HB 2.620 . 2.620 2.510 2.471 2.531 . 0 0 "[ . 1 . 2]" 1
334 2 27 ILE H 2 27 ILE MD 3.630 . 3.630 3.296 3.199 3.361 . 0 0 "[ . 1 . 2]" 1
335 2 27 ILE H 2 27 ILE HG13 4.100 . 4.100 3.727 3.675 3.802 . 0 0 "[ . 1 . 2]" 1
336 2 27 ILE H 2 27 ILE HG12 2.740 . 2.740 2.287 2.226 2.385 . 0 0 "[ . 1 . 2]" 1
337 2 27 ILE H 2 27 ILE MG 3.780 . 3.780 3.782 3.765 3.796 0.016 9 0 "[ . 1 . 2]" 1
338 2 28 LEU HA 2 28 LEU MD2 2.850 . 2.850 2.274 2.234 2.315 . 0 0 "[ . 1 . 2]" 1
339 2 28 LEU HA 2 28 LEU HG 3.730 . 3.730 3.049 3.024 3.074 . 0 0 "[ . 1 . 2]" 1
340 2 28 LEU H 2 28 LEU QB 2.950 . 2.950 2.461 2.421 2.500 . 0 0 "[ . 1 . 2]" 1
341 2 28 LEU H 2 28 LEU MD1 3.310 . 3.310 3.345 3.314 3.398 0.088 4 0 "[ . 1 . 2]" 1
342 2 28 LEU H 2 28 LEU HG 2.770 . 2.770 2.280 2.208 2.393 . 0 0 "[ . 1 . 2]" 1
343 2 29 ALA H 2 29 ALA MB 2.620 . 2.620 2.649 2.616 2.665 0.045 9 0 "[ . 1 . 2]" 1
344 2 30 ASP H 2 30 ASP HB3 2.980 . 2.980 2.693 2.646 2.749 . 0 0 "[ . 1 . 2]" 1
345 2 30 ASP H 2 30 ASP HB2 3.810 . 3.810 3.252 3.144 3.335 . 0 0 "[ . 1 . 2]" 1
346 2 31 SER H 2 31 SER HA 2.860 . 2.860 2.796 2.766 2.823 . 0 0 "[ . 1 . 2]" 1
347 2 31 SER H 2 31 SER QB 2.810 . 2.810 2.528 2.455 2.586 . 0 0 "[ . 1 . 2]" 1
348 2 32 GLY H 2 32 GLY HA2 2.620 . 2.620 2.342 2.314 2.363 . 0 0 "[ . 1 . 2]" 1
349 2 33 GLU HA 2 33 GLU HB3 3.010 . 3.010 2.521 2.437 2.592 . 0 0 "[ . 1 . 2]" 1
350 2 33 GLU HA 2 33 GLU HG2 3.820 . 3.820 2.701 2.367 3.022 . 0 0 "[ . 1 . 2]" 1
351 2 33 GLU H 2 33 GLU HB2 2.750 . 2.750 2.424 2.282 2.571 . 0 0 "[ . 1 . 2]" 1
352 2 33 GLU H 2 33 GLU HG3 4.410 . 4.410 3.432 2.330 4.149 . 0 0 "[ . 1 . 2]" 1
353 2 33 GLU H 2 33 GLU HG2 3.900 . 3.900 3.262 2.641 3.970 0.070 12 0 "[ . 1 . 2]" 1
354 2 34 GLY H 2 34 GLY HA2 2.930 . 2.930 2.911 2.823 2.951 0.021 3 0 "[ . 1 . 2]" 1
355 2 35 TYR H 2 35 TYR HB2 3.920 . 3.920 2.804 2.613 2.920 . 0 0 "[ . 1 . 2]" 1
356 2 35 TYR H 2 35 TYR QD 3.660 . 3.660 3.248 2.951 3.509 . 0 0 "[ . 1 . 2]" 1
357 2 35 TYR H 2 35 TYR QE 5.330 . 5.330 5.116 4.722 5.283 . 0 0 "[ . 1 . 2]" 1
358 2 37 SER H 2 37 SER HB3 4.010 . 4.010 3.790 3.159 3.949 . 0 0 "[ . 1 . 2]" 1
359 2 37 SER H 2 37 SER HB2 3.650 . 3.650 3.003 2.794 3.753 0.103 3 0 "[ . 1 . 2]" 1
360 2 38 LYS HA 2 38 LYS HG2 3.780 . 3.780 3.708 3.639 3.761 . 0 0 "[ . 1 . 2]" 1
361 2 38 LYS QE 2 38 LYS HG3 3.290 . 3.290 2.711 2.375 3.474 0.184 5 0 "[ . 1 . 2]" 1
362 2 38 LYS H 2 38 LYS HB3 2.830 . 2.830 2.515 2.452 2.596 . 0 0 "[ . 1 . 2]" 1
363 2 38 LYS H 2 38 LYS QD 3.610 . 3.610 3.602 3.294 3.959 0.349 9 0 "[ . 1 . 2]" 1
364 2 38 LYS H 2 38 LYS QE 4.450 . 4.450 4.282 2.764 4.584 0.134 12 0 "[ . 1 . 2]" 1
365 2 38 LYS H 2 38 LYS HG2 4.380 . 4.380 2.113 1.860 2.261 . 0 0 "[ . 1 . 2]" 1
366 2 38 LYS H 2 38 LYS HG3 5.110 . 5.110 3.465 3.189 3.606 . 0 0 "[ . 1 . 2]" 1
367 2 39 GLN HA 2 39 GLN HB2 2.860 . 2.860 2.427 2.395 2.453 . 0 0 "[ . 1 . 2]" 1
368 2 39 GLN HA 2 39 GLN QG 3.180 . 3.180 2.507 2.479 2.559 . 0 0 "[ . 1 . 2]" 1
369 2 39 GLN HE22 2 39 GLN QG 3.630 . 3.630 3.482 3.473 3.490 . 0 0 "[ . 1 . 2]" 1
370 2 39 GLN H 2 39 GLN HB2 4.000 . 4.000 2.561 2.495 2.624 . 0 0 "[ . 1 . 2]" 1
371 2 39 GLN H 2 39 GLN HE21 4.610 . 4.610 4.098 3.996 4.207 . 0 0 "[ . 1 . 2]" 1
372 2 40 LYS HA 2 40 LYS QD 3.660 . 3.660 2.389 2.013 3.283 . 0 0 "[ . 1 . 2]" 1
373 2 40 LYS HA 2 40 LYS HG3 3.390 . 3.390 3.121 2.960 3.278 . 0 0 "[ . 1 . 2]" 1
374 2 40 LYS HA 2 40 LYS HG2 3.900 . 3.900 3.806 3.757 3.881 . 0 0 "[ . 1 . 2]" 1
375 2 40 LYS H 2 40 LYS HA 2.930 . 2.930 2.802 2.781 2.813 . 0 0 "[ . 1 . 2]" 1
376 2 40 LYS H 2 40 LYS QB 2.400 . 2.400 2.251 2.222 2.283 . 0 0 "[ . 1 . 2]" 1
377 2 40 LYS H 2 40 LYS HG3 4.450 . 4.450 4.450 4.403 4.483 0.033 1 0 "[ . 1 . 2]" 1
378 2 40 LYS H 2 40 LYS HG2 4.680 . 4.680 4.605 4.559 4.644 . 0 0 "[ . 1 . 2]" 1
379 2 41 ALA H 2 41 ALA HA 2.850 . 2.850 2.792 2.787 2.803 . 0 0 "[ . 1 . 2]" 1
380 2 41 ALA H 2 41 ALA MB 2.400 . 2.400 2.239 2.218 2.251 . 0 0 "[ . 1 . 2]" 1
381 2 42 LYS HA 2 42 LYS QD 4.380 . 4.380 3.793 3.717 3.887 . 0 0 "[ . 1 . 2]" 1
382 2 42 LYS HA 2 42 LYS HG2 3.610 . 3.610 2.388 2.342 2.531 . 0 0 "[ . 1 . 2]" 1
383 2 42 LYS HA 2 42 LYS HG3 3.840 . 3.840 3.306 3.218 3.388 . 0 0 "[ . 1 . 2]" 1
384 2 42 LYS HE2 2 42 LYS HG3 3.070 . 3.070 2.483 2.373 3.597 0.527 19 1 "[ . 1 . +2]" 1
385 2 42 LYS H 2 42 LYS HA 2.850 . 2.850 2.792 2.773 2.816 . 0 0 "[ . 1 . 2]" 1
386 2 42 LYS H 2 42 LYS HB2 3.700 . 3.700 2.549 2.500 2.648 . 0 0 "[ . 1 . 2]" 1
387 2 42 LYS H 2 42 LYS HB3 3.790 . 3.790 3.564 3.541 3.582 . 0 0 "[ . 1 . 2]" 1
388 2 42 LYS H 2 42 LYS QD 4.270 . 4.270 4.115 4.044 4.171 . 0 0 "[ . 1 . 2]" 1
389 2 42 LYS H 2 42 LYS HE2 4.640 . 4.640 4.244 3.993 5.462 0.822 19 1 "[ . 1 . +2]" 1
390 2 42 LYS H 2 42 LYS HG2 2.790 . 2.790 2.875 2.802 2.923 0.133 16 0 "[ . 1 . 2]" 1
391 2 42 LYS H 2 42 LYS HG3 2.400 . 2.400 2.117 2.028 2.242 . 0 0 "[ . 1 . 2]" 1
392 2 43 GLN HA 2 43 GLN HE21 3.920 . 3.920 3.081 2.964 3.317 . 0 0 "[ . 1 . 2]" 1
393 2 43 GLN HA 2 43 GLN HE22 4.090 . 4.090 3.374 3.258 3.513 . 0 0 "[ . 1 . 2]" 1
394 2 43 GLN HA 2 43 GLN HG2 4.110 . 4.110 3.371 3.331 3.418 . 0 0 "[ . 1 . 2]" 1
395 2 43 GLN QB 2 43 GLN HE21 4.290 . 4.290 3.593 3.564 3.677 . 0 0 "[ . 1 . 2]" 1
396 2 43 GLN QB 2 43 GLN HE22 4.570 . 4.570 4.283 4.221 4.357 . 0 0 "[ . 1 . 2]" 1
397 2 43 GLN HE22 2 43 GLN HG3 4.070 . 4.070 4.033 4.020 4.049 . 0 0 "[ . 1 . 2]" 1
398 2 43 GLN HE22 2 43 GLN HG2 3.520 . 3.520 3.459 3.444 3.472 . 0 0 "[ . 1 . 2]" 1
399 2 43 GLN H 2 43 GLN HA 2.850 . 2.850 2.822 2.806 2.831 . 0 0 "[ . 1 . 2]" 1
400 2 43 GLN H 2 43 GLN QB 3.220 . 3.220 2.578 2.527 2.642 . 0 0 "[ . 1 . 2]" 1
401 2 43 GLN H 2 43 GLN HG3 4.590 . 4.590 3.839 3.740 3.936 . 0 0 "[ . 1 . 2]" 1
402 2 43 GLN H 2 43 GLN HG2 3.190 . 3.190 2.375 2.233 2.510 . 0 0 "[ . 1 . 2]" 1
403 2 44 GLY H 2 44 GLY QA 2.400 . 2.400 2.211 2.206 2.217 . 0 0 "[ . 1 . 2]" 1
404 2 45 ILE HA 2 45 ILE QG 3.490 . 3.490 2.383 2.343 2.439 . 0 0 "[ . 1 . 2]" 1
405 2 45 ILE HA 2 45 ILE MG 3.110 . 3.110 2.413 2.319 2.472 . 0 0 "[ . 1 . 2]" 1
406 2 45 ILE HB 2 45 ILE MD 3.060 . 3.060 2.297 2.273 2.316 . 0 0 "[ . 1 . 2]" 1
407 2 45 ILE MD 2 45 ILE MG 2.870 . 2.870 2.088 2.059 2.118 . 0 0 "[ . 1 . 2]" 1
408 2 45 ILE H 2 45 ILE HA 2.870 . 2.870 2.799 2.791 2.809 . 0 0 "[ . 1 . 2]" 1
409 2 45 ILE H 2 45 ILE HB 3.390 . 3.390 2.455 2.351 2.534 . 0 0 "[ . 1 . 2]" 1
410 2 45 ILE H 2 45 ILE MD 3.040 . 3.040 3.208 3.184 3.237 0.197 13 0 "[ . 1 . 2]" 1
411 2 45 ILE H 2 45 ILE QG 2.630 . 2.630 1.974 1.899 2.120 . 0 0 "[ . 1 . 2]" 1
412 2 45 ILE H 2 45 ILE MG 3.890 . 3.890 3.727 3.702 3.743 . 0 0 "[ . 1 . 2]" 1
413 2 46 GLU HA 2 46 GLU QB 2.760 . 2.760 2.365 2.344 2.393 . 0 0 "[ . 1 . 2]" 1
414 2 46 GLU HA 2 46 GLU HG3 3.790 . 3.790 3.510 3.225 3.748 . 0 0 "[ . 1 . 2]" 1
415 2 46 GLU HA 2 46 GLU HG2 3.640 . 3.640 2.729 2.500 2.963 . 0 0 "[ . 1 . 2]" 1
416 2 46 GLU H 2 46 GLU QB 2.850 . 2.850 2.477 2.386 2.574 . 0 0 "[ . 1 . 2]" 1
417 2 46 GLU H 2 46 GLU HG3 3.410 . 3.410 2.866 2.143 3.561 0.151 3 0 "[ . 1 . 2]" 1
418 2 46 GLU H 2 46 GLU HG2 3.440 . 3.440 2.653 2.147 3.256 . 0 0 "[ . 1 . 2]" 1
419 2 47 SER H 2 47 SER HB2 2.970 . 2.970 2.507 2.483 2.527 . 0 0 "[ . 1 . 2]" 1
420 2 48 VAL HA 2 48 VAL MG2 2.920 . 2.920 2.202 2.178 2.231 . 0 0 "[ . 1 . 2]" 1
421 2 48 VAL HA 2 48 VAL MG1 3.140 . 3.140 3.188 3.175 3.199 0.059 4 0 "[ . 1 . 2]" 1
422 2 48 VAL H 2 48 VAL HB 2.560 . 2.560 2.417 2.373 2.471 . 0 0 "[ . 1 . 2]" 1
423 2 48 VAL H 2 48 VAL MG2 3.820 . 3.820 3.735 3.706 3.777 . 0 0 "[ . 1 . 2]" 1
424 2 48 VAL H 2 48 VAL MG1 2.670 . 2.670 2.657 2.573 2.709 0.039 15 0 "[ . 1 . 2]" 1
425 2 49 LYS HA 2 49 LYS QG 2.840 . 2.840 2.390 2.324 2.432 . 0 0 "[ . 1 . 2]" 1
426 2 49 LYS HB3 2 49 LYS QE 3.060 . 3.060 2.142 2.100 2.195 . 0 0 "[ . 1 . 2]" 1
427 2 49 LYS H 2 49 LYS HB3 3.900 . 3.900 3.567 3.534 3.597 . 0 0 "[ . 1 . 2]" 1
428 2 49 LYS H 2 49 LYS HB2 2.570 . 2.570 2.396 2.347 2.446 . 0 0 "[ . 1 . 2]" 1
429 2 49 LYS H 2 49 LYS QG 2.630 . 2.630 2.264 2.189 2.382 . 0 0 "[ . 1 . 2]" 1
430 2 50 ARG HA 2 50 ARG QD 3.800 . 3.800 3.522 1.890 3.923 0.123 8 0 "[ . 1 . 2]" 1
431 2 50 ARG HA 2 50 ARG HG3 3.420 . 3.420 2.536 2.282 3.620 0.200 16 0 "[ . 1 . 2]" 1
432 2 50 ARG HA 2 50 ARG HG2 3.470 . 3.470 3.124 2.438 3.679 0.209 2 0 "[ . 1 . 2]" 1
433 2 50 ARG HB3 2 50 ARG QD 3.610 . 3.610 2.629 2.395 3.473 . 0 0 "[ . 1 . 2]" 1
434 2 50 ARG HB2 2 50 ARG QD 3.920 . 3.920 2.355 2.191 3.324 . 0 0 "[ . 1 . 2]" 1
435 2 50 ARG H 2 50 ARG HB3 3.780 . 3.780 2.671 2.527 2.925 . 0 0 "[ . 1 . 2]" 1
436 2 50 ARG H 2 50 ARG HB2 3.610 . 3.610 2.621 2.396 2.745 . 0 0 "[ . 1 . 2]" 1
437 2 50 ARG H 2 50 ARG QD 4.390 . 4.390 4.428 3.895 4.641 0.251 5 0 "[ . 1 . 2]" 1
438 2 50 ARG H 2 50 ARG HG3 4.870 . 4.870 4.521 4.387 4.662 . 0 0 "[ . 1 . 2]" 1
439 2 51 ASN HB2 2 51 ASN HD21 3.210 . 3.210 2.301 2.269 2.340 . 0 0 "[ . 1 . 2]" 1
440 2 51 ASN HB2 2 51 ASN HD22 3.730 . 3.730 3.504 3.486 3.527 . 0 0 "[ . 1 . 2]" 1
441 2 51 ASN HB3 2 51 ASN HD21 3.560 . 3.560 3.493 3.479 3.514 . 0 0 "[ . 1 . 2]" 1
442 2 51 ASN H 2 51 ASN HB2 2.860 . 2.860 2.654 2.557 2.721 . 0 0 "[ . 1 . 2]" 1
443 2 51 ASN H 2 51 ASN HB3 3.880 . 3.880 3.784 3.728 3.826 . 0 0 "[ . 1 . 2]" 1
444 2 51 ASN H 2 51 ASN HD21 3.320 . 3.320 2.874 2.762 2.972 . 0 0 "[ . 1 . 2]" 1
445 2 51 ASN H 2 51 ASN HD22 4.630 . 4.630 4.363 4.255 4.451 . 0 0 "[ . 1 . 2]" 1
446 2 52 ALA H 2 52 ALA HA 2.760 . 2.760 2.780 2.771 2.792 0.032 14 0 "[ . 1 . 2]" 1
447 2 52 ALA H 2 52 ALA MB 2.400 . 2.400 2.241 2.221 2.254 . 0 0 "[ . 1 . 2]" 1
448 2 54 ASP H 2 54 ASP HB2 2.750 . 2.750 2.521 2.406 2.613 . 0 0 "[ . 1 . 2]" 1
449 2 55 ALA H 2 55 ALA MB 2.400 . 2.400 2.213 2.182 2.232 . 0 0 "[ . 1 . 2]" 1
450 2 56 ASP HA 2 56 ASP QB 2.720 . 2.720 2.397 2.340 2.431 . 0 0 "[ . 1 . 2]" 1
451 2 56 ASP H 2 56 ASP QB 2.400 . 2.400 2.355 2.316 2.384 . 0 0 "[ . 1 . 2]" 1
452 2 57 VAL H 2 57 VAL HB 3.050 . 3.050 2.889 2.523 3.109 0.059 1 0 "[ . 1 . 2]" 1
453 2 57 VAL H 2 57 VAL QG 2.530 . 2.530 1.949 1.787 2.209 . 0 0 "[ . 1 . 2]" 1
454 2 58 ILE HA 2 58 ILE MG 2.980 . 2.980 2.272 2.111 2.303 . 0 0 "[ . 1 . 2]" 1
455 2 58 ILE HB 2 58 ILE MD 2.980 . 2.980 2.465 2.428 2.505 . 0 0 "[ . 1 . 2]" 1
456 2 58 ILE H 2 58 ILE HB 3.190 . 3.190 2.826 2.750 3.387 0.197 1 0 "[ . 1 . 2]" 1
457 2 58 ILE H 2 58 ILE HG12 3.550 . 3.550 3.490 2.333 3.615 0.065 7 0 "[ . 1 . 2]" 1
458 2 58 ILE H 2 58 ILE HG13 2.980 . 2.980 2.505 2.320 2.663 . 0 0 "[ . 1 . 2]" 1
459 2 58 ILE H 2 58 ILE MG 4.150 . 4.150 3.894 3.681 3.933 . 0 0 "[ . 1 . 2]" 1
460 2 59 GLU HA 2 59 GLU HG2 2.740 . 2.740 2.611 2.533 2.699 . 0 0 "[ . 1 . 2]" 1
461 2 59 GLU H 2 59 GLU HA 2.910 . 2.910 2.889 2.873 2.899 . 0 0 "[ . 1 . 2]" 1
462 2 59 GLU H 2 59 GLU HB3 3.360 . 3.360 3.603 3.571 3.630 0.270 1 0 "[ . 1 . 2]" 1
463 2 59 GLU H 2 59 GLU HB2 4.110 . 4.110 2.657 2.629 2.687 . 0 0 "[ . 1 . 2]" 1
464 2 59 GLU H 2 59 GLU HG2 2.700 . 2.700 2.927 2.891 2.966 0.266 18 0 "[ . 1 . 2]" 1
465 2 59 GLU H 2 59 GLU HG3 2.710 . 2.710 2.076 1.931 2.198 . 0 0 "[ . 1 . 2]" 1
466 2 60 ALA H 2 60 ALA HA 2.840 . 2.840 2.881 2.852 2.905 0.065 15 0 "[ . 1 . 2]" 1
467 2 60 ALA H 2 60 ALA MB 2.400 . 2.400 2.272 2.238 2.302 . 0 0 "[ . 1 . 2]" 1
468 1 2 ASN HA 1 3 LYS HA 4.490 . 4.490 4.484 4.380 4.540 0.050 6 0 "[ . 1 . 2]" 1
469 1 2 ASN HA 1 3 LYS HB2 4.660 . 4.660 4.479 4.129 4.678 0.018 10 0 "[ . 1 . 2]" 1
470 1 2 ASN HA 1 3 LYS HG2 4.860 . 4.860 4.424 3.634 5.812 0.952 11 5 "[ . *+ * * - 2]" 1
471 1 2 ASN HA 1 3 LYS H 2.400 . 2.400 2.414 2.295 2.489 0.089 4 0 "[ . 1 . 2]" 1
472 1 2 ASN HD22 1 3 LYS H 4.740 . 4.740 4.586 4.235 4.810 0.070 15 0 "[ . 1 . 2]" 1
473 1 3 LYS HA 1 4 ALA H 2.400 . 2.400 2.162 2.097 2.236 . 0 0 "[ . 1 . 2]" 1
474 1 3 LYS HB2 1 4 ALA HA 5.500 . 5.500 5.179 5.036 5.450 . 0 0 "[ . 1 . 2]" 1
475 1 3 LYS HB3 1 4 ALA MB 4.990 . 4.990 4.724 4.479 4.839 . 0 0 "[ . 1 . 2]" 1
476 1 3 LYS HB3 1 4 ALA H 4.080 . 4.080 3.867 3.743 3.991 . 0 0 "[ . 1 . 2]" 1
477 1 3 LYS H 1 4 ALA MB 3.750 . 3.750 3.612 3.466 3.772 0.022 10 0 "[ . 1 . 2]" 1
478 1 3 LYS H 1 4 ALA H 4.430 . 4.430 3.747 3.631 3.866 . 0 0 "[ . 1 . 2]" 1
479 1 4 ALA HA 1 5 HIS H 2.700 . 2.700 2.517 2.443 2.588 . 0 0 "[ . 1 . 2]" 1
480 1 4 ALA MB 1 5 HIS HA 4.010 . 4.010 3.745 3.661 3.817 . 0 0 "[ . 1 . 2]" 1
481 1 4 ALA MB 1 5 HIS HB3 4.510 . 4.510 4.559 4.544 4.580 0.070 12 0 "[ . 1 . 2]" 1
482 1 4 ALA MB 1 5 HIS H 2.400 . 2.400 2.167 2.029 2.311 . 0 0 "[ . 1 . 2]" 1
483 1 5 HIS HA 1 6 PHE QD 4.770 . 4.770 4.173 4.033 4.269 . 0 0 "[ . 1 . 2]" 1
484 1 5 HIS HA 1 6 PHE H 2.520 . 2.520 2.247 2.224 2.287 . 0 0 "[ . 1 . 2]" 1
485 1 5 HIS HB2 1 6 PHE H 3.800 . 3.800 2.792 2.719 2.853 . 0 0 "[ . 1 . 2]" 1
486 1 5 HIS H 1 6 PHE HA 4.650 . 4.650 4.545 4.483 4.597 . 0 0 "[ . 1 . 2]" 1
487 1 5 HIS H 1 6 PHE H 4.200 . 4.200 4.208 4.169 4.234 0.034 4 0 "[ . 1 . 2]" 1
488 1 6 PHE HA 1 7 GLU HG2 4.990 . 4.990 5.018 4.913 5.069 0.079 10 0 "[ . 1 . 2]" 1
489 1 6 PHE HA 1 7 GLU H 2.400 . 2.400 2.247 2.217 2.294 . 0 0 "[ . 1 . 2]" 1
490 1 6 PHE HB3 1 7 GLU HA 4.790 . 4.790 4.221 4.165 4.269 . 0 0 "[ . 1 . 2]" 1
491 1 6 PHE HB3 1 7 GLU H 3.540 . 3.540 2.828 2.705 2.910 . 0 0 "[ . 1 . 2]" 1
492 1 6 PHE HB2 1 7 GLU HA 5.160 . 5.160 4.822 4.744 4.881 . 0 0 "[ . 1 . 2]" 1
493 1 6 PHE QD 1 7 GLU QB 5.450 . 5.450 5.561 5.506 5.608 0.158 4 0 "[ . 1 . 2]" 1
494 1 6 PHE QD 1 7 GLU H 3.420 . 3.420 3.376 3.276 3.430 0.010 7 0 "[ . 1 . 2]" 1
495 1 6 PHE H 1 7 GLU HG3 5.400 . 5.400 4.782 4.662 4.864 . 0 0 "[ . 1 . 2]" 1
496 1 7 GLU HA 1 8 VAL HA 4.420 . 4.420 4.391 4.374 4.416 . 0 0 "[ . 1 . 2]" 1
497 1 7 GLU HA 1 8 VAL H 2.400 . 2.400 2.116 2.090 2.152 . 0 0 "[ . 1 . 2]" 1
498 1 7 GLU H 1 8 VAL H 4.280 . 4.280 4.132 4.092 4.193 . 0 0 "[ . 1 . 2]" 1
499 1 8 VAL HA 1 9 PHE QD 3.720 . 3.720 3.069 2.957 3.169 . 0 0 "[ . 1 . 2]" 1
500 1 8 VAL HA 1 9 PHE QE 5.310 . 5.310 4.761 4.573 4.901 . 0 0 "[ . 1 . 2]" 1
501 1 8 VAL HA 1 9 PHE H 2.400 . 2.400 2.198 2.167 2.238 . 0 0 "[ . 1 . 2]" 1
502 1 8 VAL HB 1 9 PHE H 4.760 . 4.760 4.127 4.079 4.188 . 0 0 "[ . 1 . 2]" 1
503 1 8 VAL MG2 1 9 PHE QD 5.000 . 5.000 4.882 4.822 4.947 . 0 0 "[ . 1 . 2]" 1
504 1 8 VAL MG1 1 9 PHE QD 4.610 . 4.610 4.239 4.148 4.333 . 0 0 "[ . 1 . 2]" 1
505 1 8 VAL MG1 1 9 PHE H 2.510 . 2.510 2.517 2.468 2.561 0.051 6 0 "[ . 1 . 2]" 1
506 1 9 PHE HA 1 10 VAL HA 4.690 . 4.690 4.379 4.349 4.401 . 0 0 "[ . 1 . 2]" 1
507 1 9 PHE HA 1 10 VAL HB 4.510 . 4.510 4.541 4.491 4.565 0.055 4 0 "[ . 1 . 2]" 1
508 1 9 PHE HA 1 10 VAL MG2 4.170 . 4.170 3.851 3.713 3.970 . 0 0 "[ . 1 . 2]" 1
509 1 9 PHE HA 1 10 VAL H 2.850 . 2.850 2.600 2.566 2.638 . 0 0 "[ . 1 . 2]" 1
510 1 9 PHE HB2 1 10 VAL H 2.590 . 2.590 2.149 2.086 2.209 . 0 0 "[ . 1 . 2]" 1
511 1 9 PHE HB3 1 10 VAL H 3.760 . 3.760 3.652 3.602 3.694 . 0 0 "[ . 1 . 2]" 1
512 1 9 PHE QD 1 10 VAL HA 4.880 . 4.880 4.294 4.127 4.373 . 0 0 "[ . 1 . 2]" 1
513 1 9 PHE QD 1 10 VAL MG2 5.240 . 5.240 4.994 4.901 5.051 . 0 0 "[ . 1 . 2]" 1
514 1 9 PHE QD 1 10 VAL MG1 4.580 . 4.580 4.589 4.526 4.634 0.054 10 0 "[ . 1 . 2]" 1
515 1 9 PHE QD 1 10 VAL H 2.720 . 2.720 2.718 2.650 2.766 0.046 18 0 "[ . 1 . 2]" 1
516 1 9 PHE QE 1 10 VAL HA 5.490 . 5.490 5.216 5.110 5.363 . 0 0 "[ . 1 . 2]" 1
517 1 9 PHE QE 1 10 VAL H 4.650 . 4.650 4.749 4.724 4.782 0.132 2 0 "[ . 1 . 2]" 1
518 1 9 PHE H 1 10 VAL H 4.870 . 4.870 4.372 4.354 4.389 . 0 0 "[ . 1 . 2]" 1
519 1 10 VAL HA 1 11 ASP HB2 4.500 . 4.500 4.263 4.219 4.334 . 0 0 "[ . 1 . 2]" 1
520 1 10 VAL HA 1 11 ASP H 2.400 . 2.400 2.138 2.113 2.157 . 0 0 "[ . 1 . 2]" 1
521 1 10 VAL HB 1 11 ASP HA 5.500 . 5.500 5.500 5.451 5.540 0.040 19 0 "[ . 1 . 2]" 1
522 1 10 VAL HB 1 11 ASP H 4.630 . 4.630 4.257 4.211 4.294 . 0 0 "[ . 1 . 2]" 1
523 1 10 VAL MG2 1 11 ASP HA 5.500 . 5.500 5.517 5.488 5.549 0.049 3 0 "[ . 1 . 2]" 1
524 1 10 VAL MG2 1 11 ASP H 3.570 . 3.570 3.481 3.402 3.554 . 0 0 "[ . 1 . 2]" 1
525 1 10 VAL MG1 1 11 ASP HA 4.230 . 4.230 3.831 3.793 3.872 . 0 0 "[ . 1 . 2]" 1
526 1 10 VAL MG1 1 11 ASP H 2.560 . 2.560 2.437 2.337 2.518 . 0 0 "[ . 1 . 2]" 1
527 1 11 ASP HA 1 12 ALA HA 4.440 . 4.440 4.308 4.285 4.342 . 0 0 "[ . 1 . 2]" 1
528 1 11 ASP HA 1 12 ALA MB 4.370 . 4.370 4.206 4.178 4.240 . 0 0 "[ . 1 . 2]" 1
529 1 11 ASP HA 1 12 ALA H 2.850 . 2.850 2.605 2.556 2.684 . 0 0 "[ . 1 . 2]" 1
530 1 11 ASP HB2 1 12 ALA H 3.910 . 3.910 3.693 3.631 3.741 . 0 0 "[ . 1 . 2]" 1
531 1 11 ASP HB3 1 12 ALA HA 4.650 . 4.650 4.781 4.753 4.801 0.151 4 0 "[ . 1 . 2]" 1
532 1 11 ASP HB3 1 12 ALA MB 4.380 . 4.380 4.405 4.307 4.472 0.092 19 0 "[ . 1 . 2]" 1
533 1 11 ASP HB3 1 12 ALA H 2.830 . 2.830 2.923 2.784 2.998 0.168 19 0 "[ . 1 . 2]" 1
534 1 11 ASP H 1 12 ALA H 4.650 . 4.650 4.490 4.462 4.507 . 0 0 "[ . 1 . 2]" 1
535 1 12 ALA HA 1 13 ALA HA 4.650 . 4.650 4.550 4.512 4.596 . 0 0 "[ . 1 . 2]" 1
536 1 12 ALA MB 1 13 ALA HA 4.320 . 4.320 4.069 4.009 4.147 . 0 0 "[ . 1 . 2]" 1
537 1 12 ALA MB 1 13 ALA H 3.450 . 3.450 3.112 3.010 3.187 . 0 0 "[ . 1 . 2]" 1
538 1 12 ALA H 1 13 ALA MB 4.430 . 4.430 4.146 4.015 4.270 . 0 0 "[ . 1 . 2]" 1
539 1 12 ALA H 1 13 ALA H 2.870 . 2.870 2.514 2.374 2.636 . 0 0 "[ . 1 . 2]" 1
540 1 13 ALA HA 1 14 ASP H 3.110 . 3.110 3.031 2.892 3.076 . 0 0 "[ . 1 . 2]" 1
541 1 13 ALA MB 1 14 ASP H 3.790 . 3.790 3.527 3.476 3.636 . 0 0 "[ . 1 . 2]" 1
542 1 13 ALA H 1 14 ASP HA 4.620 . 4.620 4.534 4.427 4.624 0.004 10 0 "[ . 1 . 2]" 1
543 1 13 ALA H 1 14 ASP H 2.550 . 2.550 2.409 2.293 2.560 0.010 6 0 "[ . 1 . 2]" 1
544 1 14 ASP HA 1 15 LYS HA 4.750 . 4.750 4.483 4.459 4.552 . 0 0 "[ . 1 . 2]" 1
545 1 14 ASP HA 1 15 LYS QE 5.500 . 5.500 5.697 5.545 5.798 0.298 13 0 "[ . 1 . 2]" 1
546 1 14 ASP HA 1 15 LYS QG 5.160 . 5.160 4.157 4.016 4.688 . 0 0 "[ . 1 . 2]" 1
547 1 14 ASP HA 1 15 LYS H 2.880 . 2.880 2.786 2.691 2.849 . 0 0 "[ . 1 . 2]" 1
548 1 14 ASP HB2 1 15 LYS HD3 5.120 . 5.120 5.163 4.138 5.351 0.231 9 0 "[ . 1 . 2]" 1
549 1 14 ASP H 1 15 LYS QG 3.860 . 3.860 3.506 3.367 3.858 . 0 0 "[ . 1 . 2]" 1
550 1 14 ASP H 1 15 LYS H 2.760 . 2.760 2.498 2.422 2.694 . 0 0 "[ . 1 . 2]" 1
551 1 15 LYS HA 1 16 TYR QE 4.830 . 4.830 4.762 4.536 4.876 0.046 4 0 "[ . 1 . 2]" 1
552 1 15 LYS HA 1 16 TYR H 2.700 . 2.700 2.235 2.145 2.585 . 0 0 "[ . 1 . 2]" 1
553 1 15 LYS HB3 1 16 TYR H 3.800 . 3.800 2.663 2.198 2.769 . 0 0 "[ . 1 . 2]" 1
554 1 15 LYS HB2 1 16 TYR H 3.330 . 3.330 3.480 3.095 3.543 0.213 13 0 "[ . 1 . 2]" 1
555 1 15 LYS QG 1 16 TYR H . . 4.840 4.261 4.189 4.392 . 0 0 "[ . 1 . 2]" 1
556 1 16 TYR HA 1 17 ARG H 2.400 . 2.400 2.090 2.046 2.192 . 0 0 "[ . 1 . 2]" 1
557 1 16 TYR HB3 1 17 ARG H 4.390 . 4.390 3.513 3.372 3.737 . 0 0 "[ . 1 . 2]" 1
558 1 17 ARG HA 1 18 TRP H 2.800 . 2.800 2.602 2.551 2.681 . 0 0 "[ . 1 . 2]" 1
559 1 17 ARG HB3 1 18 TRP HA 5.070 . 5.070 4.475 4.292 4.658 . 0 0 "[ . 1 . 2]" 1
560 1 17 ARG HB3 1 18 TRP H 2.840 . 2.840 2.202 2.084 2.325 . 0 0 "[ . 1 . 2]" 1
561 1 17 ARG HB2 1 18 TRP H 3.040 . 3.040 3.056 2.936 3.155 0.115 14 0 "[ . 1 . 2]" 1
562 1 17 ARG QD 1 18 TRP H 4.960 . 4.960 4.620 4.340 4.882 . 0 0 "[ . 1 . 2]" 1
563 1 17 ARG QG 1 18 TRP H 4.600 . 4.600 4.035 3.866 4.161 . 0 0 "[ . 1 . 2]" 1
564 1 17 ARG H 1 18 TRP HA 5.010 . 5.010 4.675 4.561 4.812 . 0 0 "[ . 1 . 2]" 1
565 1 17 ARG H 1 18 TRP H 4.420 . 4.420 4.369 4.343 4.421 0.001 4 0 "[ . 1 . 2]" 1
566 1 18 TRP HA 1 19 ARG HA 4.810 . 4.810 4.473 4.438 4.496 . 0 0 "[ . 1 . 2]" 1
567 1 18 TRP HA 1 19 ARG HB2 4.690 . 4.690 4.255 4.085 4.396 . 0 0 "[ . 1 . 2]" 1
568 1 18 TRP HA 1 19 ARG QG 4.670 . 4.670 3.763 3.234 4.296 . 0 0 "[ . 1 . 2]" 1
569 1 18 TRP HA 1 19 ARG H 2.610 . 2.610 2.362 2.322 2.427 . 0 0 "[ . 1 . 2]" 1
570 1 18 TRP HB3 1 19 ARG H 4.100 . 4.100 3.622 3.466 3.678 . 0 0 "[ . 1 . 2]" 1
571 1 18 TRP HB2 1 19 ARG HA 4.730 . 4.730 4.266 4.147 4.389 . 0 0 "[ . 1 . 2]" 1
572 1 18 TRP HB2 1 19 ARG HB2 5.500 . 5.500 5.060 4.779 5.169 . 0 0 "[ . 1 . 2]" 1
573 1 18 TRP HB2 1 19 ARG QD 5.500 . 5.500 5.682 5.537 5.827 0.327 8 0 "[ . 1 . 2]" 1
574 1 18 TRP HB2 1 19 ARG QG 5.440 . 5.440 4.875 4.694 5.183 . 0 0 "[ . 1 . 2]" 1
575 1 18 TRP HB2 1 19 ARG H 2.870 . 2.870 2.292 2.080 2.369 . 0 0 "[ . 1 . 2]" 1
576 1 18 TRP H 1 19 ARG HA 4.800 . 4.800 4.815 4.781 4.849 0.049 20 0 "[ . 1 . 2]" 1
577 1 18 TRP H 1 19 ARG QG 4.310 . 4.310 3.914 3.675 4.305 . 0 0 "[ . 1 . 2]" 1
578 1 18 TRP H 1 19 ARG H 4.410 . 4.410 4.361 4.341 4.381 . 0 0 "[ . 1 . 2]" 1
579 1 19 ARG HA 1 20 LEU H 2.500 . 2.500 2.220 2.180 2.267 . 0 0 "[ . 1 . 2]" 1
580 1 19 ARG HB3 1 20 LEU H 3.370 . 3.370 2.908 2.705 3.065 . 0 0 "[ . 1 . 2]" 1
581 1 19 ARG H 1 20 LEU HA 4.740 . 4.740 4.593 4.541 4.653 . 0 0 "[ . 1 . 2]" 1
582 1 19 ARG H 1 20 LEU MD1 5.500 . 5.500 5.597 5.577 5.634 0.134 6 0 "[ . 1 . 2]" 1
583 1 20 LEU HA 1 21 VAL QG 3.700 . 3.700 3.233 3.199 3.262 . 0 0 "[ . 1 . 2]" 1
584 1 20 LEU HA 1 21 VAL H 2.450 . 2.450 2.177 2.160 2.201 . 0 0 "[ . 1 . 2]" 1
585 1 20 LEU HB2 1 21 VAL QG 5.160 . 5.160 5.065 5.024 5.097 . 0 0 "[ . 1 . 2]" 1
586 1 20 LEU HB2 1 21 VAL H 4.360 . 4.360 4.204 4.168 4.239 . 0 0 "[ . 1 . 2]" 1
587 1 20 LEU HB3 1 21 VAL H 3.930 . 3.930 3.985 3.956 4.010 0.080 12 0 "[ . 1 . 2]" 1
588 1 20 LEU MD1 1 21 VAL HA 5.050 . 5.050 4.719 4.612 4.775 . 0 0 "[ . 1 . 2]" 1
589 1 20 LEU MD1 1 21 VAL HB 5.270 . 5.270 4.764 4.650 4.841 . 0 0 "[ . 1 . 2]" 1
590 1 20 LEU MD1 1 21 VAL H 2.730 . 2.730 2.402 2.272 2.523 . 0 0 "[ . 1 . 2]" 1
591 1 20 LEU MD2 1 21 VAL H 4.320 . 4.320 4.303 4.234 4.349 0.029 12 0 "[ . 1 . 2]" 1
592 1 20 LEU HG 1 21 VAL H 3.060 . 3.060 2.798 2.692 2.880 . 0 0 "[ . 1 . 2]" 1
593 1 20 LEU H 1 21 VAL HA 5.500 . 5.500 5.057 4.980 5.126 . 0 0 "[ . 1 . 2]" 1
594 1 21 VAL HA 1 22 HIS HB2 4.290 . 4.290 4.274 4.233 4.310 0.020 20 0 "[ . 1 . 2]" 1
595 1 21 VAL HA 1 22 HIS H 2.400 . 2.400 2.169 2.153 2.179 . 0 0 "[ . 1 . 2]" 1
596 1 21 VAL HB 1 22 HIS HA 5.000 . 5.000 4.937 4.851 4.999 . 0 0 "[ . 1 . 2]" 1
597 1 21 VAL HB 1 22 HIS H 4.070 . 4.070 4.033 3.957 4.092 0.022 8 0 "[ . 1 . 2]" 1
598 1 21 VAL QG 1 22 HIS H 2.960 . 2.960 2.629 2.553 2.688 . 0 0 "[ . 1 . 2]" 1
599 1 22 HIS HA 1 23 ASP H 2.700 . 2.700 2.475 2.438 2.495 . 0 0 "[ . 1 . 2]" 1
600 1 22 HIS HB3 1 23 ASP H 3.170 . 3.170 2.977 2.889 3.055 . 0 0 "[ . 1 . 2]" 1
601 1 22 HIS HB2 1 23 ASP H 3.870 . 3.870 3.904 3.797 3.964 0.094 4 0 "[ . 1 . 2]" 1
602 1 22 HIS HD2 1 23 ASP H 4.660 . 4.660 4.158 3.639 4.424 . 0 0 "[ . 1 . 2]" 1
603 1 23 ASP HB2 1 24 ASN H 4.440 . 4.440 3.977 3.678 4.166 . 0 0 "[ . 1 . 2]" 1
604 1 24 ASN HB2 1 25 GLY H 3.720 . 3.720 2.688 2.632 2.741 . 0 0 "[ . 1 . 2]" 1
605 1 24 ASN HD22 1 25 GLY H 5.070 . 5.070 5.197 5.144 5.250 0.180 14 0 "[ . 1 . 2]" 1
606 1 24 ASN HD21 1 25 GLY H 4.170 . 4.170 4.275 4.223 4.306 0.136 1 0 "[ . 1 . 2]" 1
607 1 25 GLY HA2 1 26 ASN HD22 5.500 . 5.500 5.586 5.544 5.688 0.188 17 0 "[ . 1 . 2]" 1
608 1 25 GLY HA2 1 26 ASN H 3.080 . 3.080 3.115 3.080 3.144 0.064 3 0 "[ . 1 . 2]" 1
609 1 25 GLY H 1 26 ASN HD22 3.760 . 3.760 3.704 3.640 3.838 0.078 10 0 "[ . 1 . 2]" 1
610 1 26 ASN HA 1 27 ILE HB 4.710 . 4.710 4.697 4.625 4.729 0.019 9 0 "[ . 1 . 2]" 1
611 1 26 ASN HA 1 27 ILE H 2.400 . 2.400 2.206 2.178 2.246 . 0 0 "[ . 1 . 2]" 1
612 1 26 ASN HB3 1 27 ILE H 3.670 . 3.670 3.697 3.588 3.723 0.053 19 0 "[ . 1 . 2]" 1
613 1 26 ASN HB2 1 27 ILE HA 4.920 . 4.920 4.677 4.594 4.728 . 0 0 "[ . 1 . 2]" 1
614 1 26 ASN HB2 1 27 ILE H 3.800 . 3.800 2.905 2.830 2.965 . 0 0 "[ . 1 . 2]" 1
615 1 26 ASN HD21 1 27 ILE H 4.820 . 4.820 4.125 4.049 4.310 . 0 0 "[ . 1 . 2]" 1
616 1 27 ILE HA 1 28 LEU H 2.440 . 2.440 2.109 2.072 2.141 . 0 0 "[ . 1 . 2]" 1
617 1 27 ILE MD 1 28 LEU H 3.830 . 3.830 3.701 3.578 3.765 . 0 0 "[ . 1 . 2]" 1
618 1 27 ILE MG 1 28 LEU H 3.140 . 3.140 2.828 2.706 2.914 . 0 0 "[ . 1 . 2]" 1
619 1 27 ILE H 1 28 LEU HA 5.480 . 5.480 5.251 5.160 5.300 . 0 0 "[ . 1 . 2]" 1
620 1 27 ILE H 1 28 LEU MD2 5.160 . 5.160 4.982 4.875 5.078 . 0 0 "[ . 1 . 2]" 1
621 1 28 LEU HA 1 29 ALA HA 4.700 . 4.700 4.563 4.548 4.581 . 0 0 "[ . 1 . 2]" 1
622 1 28 LEU QB 1 29 ALA HA 4.500 . 4.500 4.290 4.252 4.321 . 0 0 "[ . 1 . 2]" 1
623 1 28 LEU QB 1 29 ALA MB 3.410 . 3.410 3.195 3.155 3.228 . 0 0 "[ . 1 . 2]" 1
624 1 28 LEU QB 1 29 ALA H 2.730 . 2.730 2.315 2.278 2.373 . 0 0 "[ . 1 . 2]" 1
625 1 28 LEU MD1 1 29 ALA H 3.650 . 3.650 4.004 3.964 4.054 0.404 12 0 "[ . 1 . 2]" 1
626 1 28 LEU HG 1 29 ALA H 5.150 . 5.150 3.950 3.893 4.019 . 0 0 "[ . 1 . 2]" 1
627 1 28 LEU H 1 29 ALA MB 4.690 . 4.690 4.426 4.338 4.481 . 0 0 "[ . 1 . 2]" 1
628 1 28 LEU H 1 29 ALA H 2.640 . 2.640 2.194 2.065 2.253 . 0 0 "[ . 1 . 2]" 1
629 1 29 ALA HA 1 30 ASP HB3 4.330 . 4.330 4.330 4.194 4.404 0.074 4 0 "[ . 1 . 2]" 1
630 1 29 ALA HA 1 30 ASP H 2.700 . 2.700 2.365 2.285 2.417 . 0 0 "[ . 1 . 2]" 1
631 1 29 ALA MB 1 30 ASP HB2 4.850 . 4.850 4.802 4.722 4.877 0.027 15 0 "[ . 1 . 2]" 1
632 1 29 ALA MB 1 30 ASP H 2.500 . 2.500 2.286 2.193 2.464 . 0 0 "[ . 1 . 2]" 1
633 1 29 ALA H 1 30 ASP HB2 5.210 . 5.210 5.250 5.207 5.320 0.110 10 0 "[ . 1 . 2]" 1
634 1 29 ALA H 1 30 ASP H 4.560 . 4.560 4.386 4.369 4.408 . 0 0 "[ . 1 . 2]" 1
635 1 30 ASP HA 1 31 SER H 2.400 . 2.400 2.349 2.283 2.402 0.002 10 0 "[ . 1 . 2]" 1
636 1 30 ASP HB3 1 31 SER H 4.110 . 4.110 3.846 3.751 3.940 . 0 0 "[ . 1 . 2]" 1
637 1 30 ASP HB2 1 31 SER H 3.920 . 3.920 3.922 3.769 3.979 0.059 9 0 "[ . 1 . 2]" 1
638 1 30 ASP H 1 31 SER HA 5.490 . 5.490 5.011 4.958 5.101 . 0 0 "[ . 1 . 2]" 1
639 1 31 SER QB 1 32 GLY HA3 5.500 . 5.500 4.703 4.634 4.767 . 0 0 "[ . 1 . 2]" 1
640 1 31 SER QB 1 32 GLY H 3.410 . 3.410 3.430 3.339 3.493 0.083 13 0 "[ . 1 . 2]" 1
641 1 31 SER H 1 32 GLY H 3.580 . 3.580 2.766 2.637 2.876 . 0 0 "[ . 1 . 2]" 1
642 1 32 GLY HA2 1 33 GLU HA 4.650 . 4.650 4.612 4.540 4.701 0.051 4 0 "[ . 1 . 2]" 1
643 1 32 GLY H 1 33 GLU H 3.070 . 3.070 3.166 3.050 3.231 0.161 8 0 "[ . 1 . 2]" 1
644 1 33 GLU HA 1 34 GLY H 2.840 . 2.840 2.509 2.416 2.673 . 0 0 "[ . 1 . 2]" 1
645 1 33 GLU HB2 1 34 GLY HA2 5.040 . 5.040 4.554 3.886 4.851 . 0 0 "[ . 1 . 2]" 1
646 1 33 GLU HB2 1 34 GLY H 3.510 . 3.510 3.378 2.856 3.582 0.072 9 0 "[ . 1 . 2]" 1
647 1 33 GLU HB3 1 34 GLY H 2.510 . 2.510 2.100 1.868 2.251 . 0 0 "[ . 1 . 2]" 1
648 1 33 GLU HG3 1 34 GLY H 4.690 . 4.690 4.567 4.381 4.737 0.047 16 0 "[ . 1 . 2]" 1
649 1 33 GLU HG2 1 34 GLY H 4.500 . 4.500 4.276 3.621 4.667 0.167 19 0 "[ . 1 . 2]" 1
650 1 34 GLY HA2 1 35 TYR H 2.600 . 2.600 2.211 2.125 2.307 . 0 0 "[ . 1 . 2]" 1
651 1 34 GLY HA3 1 35 TYR H 3.340 . 3.340 3.111 2.965 3.283 . 0 0 "[ . 1 . 2]" 1
652 1 34 GLY H 1 35 TYR H 4.390 . 4.390 4.244 3.877 4.423 0.033 7 0 "[ . 1 . 2]" 1
653 1 35 TYR HB3 1 36 ALA HA 4.610 . 4.610 4.640 4.542 4.785 0.175 6 0 "[ . 1 . 2]" 1
654 1 35 TYR H 1 36 ALA HA 5.180 . 5.180 4.788 4.693 4.913 . 0 0 "[ . 1 . 2]" 1
655 1 36 ALA HA 1 37 SER H 3.140 . 3.140 3.179 3.149 3.198 0.058 2 0 "[ . 1 . 2]" 1
656 1 36 ALA MB 1 37 SER H 3.500 . 3.500 3.471 3.443 3.500 0.000 13 0 "[ . 1 . 2]" 1
657 1 37 SER HA 1 38 LYS H 3.270 . 3.270 2.122 2.078 2.184 . 0 0 "[ . 1 . 2]" 1
658 1 37 SER HB3 1 38 LYS H 4.750 . 4.750 3.270 3.008 4.017 . 0 0 "[ . 1 . 2]" 1
659 1 37 SER HB2 1 38 LYS HA 5.010 . 5.010 5.047 4.951 5.123 0.113 11 0 "[ . 1 . 2]" 1
660 1 37 SER HB2 1 38 LYS H 3.820 . 3.820 3.835 3.273 3.964 0.144 7 0 "[ . 1 . 2]" 1
661 1 37 SER H 1 38 LYS H 4.450 . 4.450 4.327 4.274 4.379 . 0 0 "[ . 1 . 2]" 1
662 1 38 LYS HA 1 39 GLN HA 4.870 . 4.870 4.799 4.756 4.835 . 0 0 "[ . 1 . 2]" 1
663 1 38 LYS HB2 1 39 GLN HA 4.750 . 4.750 4.576 4.465 4.688 . 0 0 "[ . 1 . 2]" 1
664 1 38 LYS HG2 1 39 GLN HA 5.020 . 5.020 4.396 4.173 4.656 . 0 0 "[ . 1 . 2]" 1
665 1 38 LYS HG2 1 39 GLN HB3 4.370 . 4.370 4.460 4.399 4.545 0.175 9 0 "[ . 1 . 2]" 1
666 1 38 LYS HG3 1 39 GLN HA 5.080 . 5.080 3.447 3.200 3.567 . 0 0 "[ . 1 . 2]" 1
667 1 38 LYS HG3 1 39 GLN H 5.280 . 5.280 2.659 2.416 2.995 . 0 0 "[ . 1 . 2]" 1
668 1 38 LYS H 1 39 GLN HB3 4.880 . 4.880 4.760 4.619 4.885 0.005 16 0 "[ . 1 . 2]" 1
669 1 39 GLN HB2 1 40 LYS H 4.190 . 4.190 3.876 3.790 3.949 . 0 0 "[ . 1 . 2]" 1
670 1 39 GLN HB3 1 40 LYS H 3.810 . 3.810 2.573 2.455 2.706 . 0 0 "[ . 1 . 2]" 1
671 1 39 GLN QG 1 40 LYS HA 3.610 . 3.610 3.552 3.356 3.647 0.037 14 0 "[ . 1 . 2]" 1
672 1 39 GLN QG 1 40 LYS H 3.630 . 3.630 3.569 3.378 3.673 0.043 14 0 "[ . 1 . 2]" 1
673 1 39 GLN H 1 40 LYS H 3.140 . 3.140 2.660 2.568 2.792 . 0 0 "[ . 1 . 2]" 1
674 1 40 LYS QB 1 41 ALA H 2.660 . 2.660 2.568 2.440 2.664 0.004 18 0 "[ . 1 . 2]" 1
675 1 40 LYS HG3 1 41 ALA HA 3.660 . 3.660 3.708 3.585 3.793 0.133 11 0 "[ . 1 . 2]" 1
676 1 40 LYS HG3 1 41 ALA H 4.250 . 4.250 3.716 3.541 3.808 . 0 0 "[ . 1 . 2]" 1
677 1 40 LYS H 1 41 ALA MB 4.660 . 4.660 4.376 4.308 4.441 . 0 0 "[ . 1 . 2]" 1
678 1 40 LYS H 1 41 ALA H 2.990 . 2.990 2.716 2.635 2.796 . 0 0 "[ . 1 . 2]" 1
679 1 41 ALA HA 1 42 LYS HA 4.930 . 4.930 4.727 4.708 4.757 . 0 0 "[ . 1 . 2]" 1
680 1 41 ALA HA 1 42 LYS HG2 5.500 . 5.500 5.656 5.618 5.733 0.233 19 0 "[ . 1 . 2]" 1
681 1 41 ALA MB 1 42 LYS H 2.510 . 2.510 2.326 2.230 2.530 0.020 14 0 "[ . 1 . 2]" 1
682 1 41 ALA H 1 42 LYS H 3.000 . 3.000 2.791 2.714 2.854 . 0 0 "[ . 1 . 2]" 1
683 1 42 LYS HB2 1 43 GLN HE22 4.330 . 4.330 3.710 3.444 3.905 . 0 0 "[ . 1 . 2]" 1
684 1 42 LYS HB2 1 43 GLN H 3.070 . 3.070 2.749 2.523 2.813 . 0 0 "[ . 1 . 2]" 1
685 1 42 LYS HB3 1 43 GLN HE21 4.180 . 4.180 3.672 3.582 3.784 . 0 0 "[ . 1 . 2]" 1
686 1 42 LYS HB3 1 43 GLN HE22 4.240 . 4.240 4.261 4.156 4.300 0.060 13 0 "[ . 1 . 2]" 1
687 1 42 LYS HB3 1 43 GLN H 3.760 . 3.760 3.834 3.771 3.882 0.122 9 0 "[ . 1 . 2]" 1
688 1 42 LYS HE2 1 43 GLN HE21 5.010 . 5.010 4.815 4.455 5.017 0.007 15 0 "[ . 1 . 2]" 1
689 1 42 LYS HE2 1 43 GLN H 5.500 . 5.500 5.551 5.448 6.230 0.730 19 1 "[ . 1 . +2]" 1
690 1 42 LYS HE3 1 43 GLN HE21 4.730 . 4.730 3.900 3.470 4.089 . 0 0 "[ . 1 . 2]" 1
691 1 43 GLN QB 1 44 GLY H 3.700 . 3.700 2.896 2.806 2.990 . 0 0 "[ . 1 . 2]" 1
692 1 43 GLN H 1 44 GLY H 2.800 . 2.800 2.625 2.584 2.668 . 0 0 "[ . 1 . 2]" 1
693 1 44 GLY QA 1 45 ILE HB 5.050 . 5.050 4.832 4.757 4.902 . 0 0 "[ . 1 . 2]" 1
694 1 44 GLY QA 1 45 ILE H 2.730 . 2.730 2.658 2.592 2.692 . 0 0 "[ . 1 . 2]" 1
695 1 44 GLY H 1 45 ILE MD 4.520 . 4.520 4.618 4.595 4.652 0.132 14 0 "[ . 1 . 2]" 1
696 1 44 GLY H 1 45 ILE H 2.820 . 2.820 2.509 2.461 2.546 . 0 0 "[ . 1 . 2]" 1
697 1 45 ILE HB 1 46 GLU HG2 4.510 . 4.510 3.872 3.001 4.447 . 0 0 "[ . 1 . 2]" 1
698 1 45 ILE HB 1 46 GLU H 2.860 . 2.860 2.429 2.299 2.586 . 0 0 "[ . 1 . 2]" 1
699 1 45 ILE MG 1 46 GLU HA 3.810 . 3.810 3.386 3.189 3.596 . 0 0 "[ . 1 . 2]" 1
700 1 45 ILE MG 1 46 GLU QB 4.920 . 4.920 4.609 4.358 4.854 . 0 0 "[ . 1 . 2]" 1
701 1 45 ILE MG 1 46 GLU HG3 4.730 . 4.730 4.384 3.655 4.785 0.055 1 0 "[ . 1 . 2]" 1
702 1 45 ILE MG 1 46 GLU HG2 4.680 . 4.680 3.839 3.245 4.368 . 0 0 "[ . 1 . 2]" 1
703 1 45 ILE MG 1 46 GLU H 3.690 . 3.690 3.283 3.057 3.494 . 0 0 "[ . 1 . 2]" 1
704 1 45 ILE H 1 46 GLU HA 5.500 . 5.500 5.301 5.266 5.344 . 0 0 "[ . 1 . 2]" 1
705 1 45 ILE H 1 46 GLU H 2.690 . 2.690 2.720 2.679 2.777 0.087 18 0 "[ . 1 . 2]" 1
706 1 46 GLU QB 1 47 SER H 2.900 . 2.900 2.610 2.453 2.762 . 0 0 "[ . 1 . 2]" 1
707 1 47 SER HB2 1 48 VAL HA 4.730 . 4.730 4.279 4.212 4.325 . 0 0 "[ . 1 . 2]" 1
708 1 47 SER HB3 1 48 VAL HA 4.570 . 4.570 4.423 4.366 4.456 . 0 0 "[ . 1 . 2]" 1
709 1 48 VAL HB 1 49 LYS H 3.840 . 3.840 3.734 3.653 3.818 . 0 0 "[ . 1 . 2]" 1
710 1 48 VAL MG2 1 49 LYS H 4.300 . 4.300 4.065 4.007 4.138 . 0 0 "[ . 1 . 2]" 1
711 1 48 VAL MG1 1 49 LYS HA 3.880 . 3.880 3.025 2.953 3.091 . 0 0 "[ . 1 . 2]" 1
712 1 48 VAL MG1 1 49 LYS QG 3.100 . 3.100 2.219 2.142 2.384 . 0 0 "[ . 1 . 2]" 1
713 1 48 VAL MG1 1 49 LYS H 2.890 . 2.890 2.213 2.119 2.420 . 0 0 "[ . 1 . 2]" 1
714 1 48 VAL H 1 49 LYS QG 4.790 . 4.790 4.136 4.017 4.261 . 0 0 "[ . 1 . 2]" 1
715 1 48 VAL H 1 49 LYS H 2.540 . 2.540 2.471 2.388 2.526 . 0 0 "[ . 1 . 2]" 1
716 1 49 LYS HA 1 50 ARG H 3.490 . 3.490 3.336 3.303 3.394 . 0 0 "[ . 1 . 2]" 1
717 1 49 LYS HB3 1 50 ARG H 4.200 . 4.200 4.095 3.987 4.170 . 0 0 "[ . 1 . 2]" 1
718 1 49 LYS HB2 1 50 ARG H 3.850 . 3.850 3.308 3.204 3.389 . 0 0 "[ . 1 . 2]" 1
719 1 49 LYS QG 1 50 ARG H 5.450 . 5.450 4.277 4.207 4.369 . 0 0 "[ . 1 . 2]" 1
720 1 49 LYS H 1 50 ARG HB3 5.500 . 5.500 5.141 4.736 5.713 0.213 1 0 "[ . 1 . 2]" 1
721 1 49 LYS H 1 50 ARG HB2 4.530 . 4.530 4.449 4.141 4.624 0.094 8 0 "[ . 1 . 2]" 1
722 1 49 LYS H 1 50 ARG H 2.790 . 2.790 2.569 2.369 2.663 . 0 0 "[ . 1 . 2]" 1
723 1 50 ARG HA 1 51 ASN HD21 5.290 . 5.290 4.521 4.369 4.672 . 0 0 "[ . 1 . 2]" 1
724 1 50 ARG HA 1 51 ASN H 3.390 . 3.390 3.286 3.263 3.348 . 0 0 "[ . 1 . 2]" 1
725 1 50 ARG HB3 1 51 ASN HA 4.700 . 4.700 4.588 4.324 4.757 0.057 17 0 "[ . 1 . 2]" 1
726 1 50 ARG HB3 1 51 ASN HB2 4.910 . 4.910 4.596 4.286 5.131 0.221 1 0 "[ . 1 . 2]" 1
727 1 50 ARG HB3 1 51 ASN HD21 3.620 . 3.620 2.599 2.189 3.391 . 0 0 "[ . 1 . 2]" 1
728 1 50 ARG HB3 1 51 ASN HD22 3.670 . 3.670 2.912 2.387 3.361 . 0 0 "[ . 1 . 2]" 1
729 1 50 ARG QD 1 51 ASN HD22 5.320 . 5.320 4.316 2.560 5.411 0.091 7 0 "[ . 1 . 2]" 1
730 1 50 ARG HG3 1 51 ASN HD21 5.390 . 5.390 5.029 4.127 5.582 0.192 13 0 "[ . 1 . 2]" 1
731 1 50 ARG H 1 51 ASN HB3 5.500 . 5.500 5.587 5.555 5.629 0.129 10 0 "[ . 1 . 2]" 1
732 1 50 ARG H 1 51 ASN H 3.630 . 3.630 2.217 2.165 2.274 . 0 0 "[ . 1 . 2]" 1
733 1 51 ASN HB2 1 52 ALA HA 4.650 . 4.650 4.318 4.244 4.362 . 0 0 "[ . 1 . 2]" 1
734 1 51 ASN HB2 1 52 ALA MB 4.170 . 4.170 4.136 4.096 4.182 0.012 12 0 "[ . 1 . 2]" 1
735 1 51 ASN HB2 1 52 ALA H 4.420 . 4.420 2.737 2.681 2.780 . 0 0 "[ . 1 . 2]" 1
736 1 51 ASN HB3 1 52 ALA H 3.650 . 3.650 3.597 3.512 3.664 0.014 18 0 "[ . 1 . 2]" 1
737 1 51 ASN HD21 1 52 ALA MB 5.500 . 5.500 5.481 5.395 5.528 0.028 6 0 "[ . 1 . 2]" 1
738 1 51 ASN HD21 1 52 ALA H 4.370 . 4.370 4.124 4.071 4.166 . 0 0 "[ . 1 . 2]" 1
739 1 51 ASN HD22 1 52 ALA H 5.500 . 5.500 5.643 5.600 5.670 0.170 10 0 "[ . 1 . 2]" 1
740 1 51 ASN H 1 52 ALA MB 3.660 . 3.660 3.571 3.533 3.623 . 0 0 "[ . 1 . 2]" 1
741 1 51 ASN H 1 52 ALA H 2.470 . 2.470 1.854 1.829 1.920 . 0 0 "[ . 1 . 2]" 1
742 1 52 ALA MB 1 53 PRO HD2 3.380 . 3.380 2.873 2.815 2.948 . 0 0 "[ . 1 . 2]" 1
743 1 52 ALA MB 1 53 PRO HD3 2.960 . 2.960 2.126 2.073 2.173 . 0 0 "[ . 1 . 2]" 1
744 1 52 ALA H 1 53 PRO HA 5.500 . 5.500 5.529 5.513 5.545 0.045 15 0 "[ . 1 . 2]" 1
745 1 52 ALA H 1 53 PRO QB 5.500 . 5.500 5.331 5.305 5.349 . 0 0 "[ . 1 . 2]" 1
746 1 52 ALA H 1 53 PRO HD2 2.500 . 2.500 2.302 2.238 2.373 . 0 0 "[ . 1 . 2]" 1
747 1 52 ALA H 1 53 PRO HD3 3.120 . 3.120 3.085 3.015 3.138 0.018 6 0 "[ . 1 . 2]" 1
748 1 52 ALA H 1 53 PRO HG3 4.780 . 4.780 4.821 4.784 4.850 0.070 17 0 "[ . 1 . 2]" 1
749 1 53 PRO HA 1 54 ASP H 3.510 . 3.510 3.417 3.385 3.456 . 0 0 "[ . 1 . 2]" 1
750 1 53 PRO QB 1 54 ASP HA 4.910 . 4.910 4.246 4.171 4.304 . 0 0 "[ . 1 . 2]" 1
751 1 53 PRO QB 1 54 ASP H 3.750 . 3.750 3.589 3.520 3.659 . 0 0 "[ . 1 . 2]" 1
752 1 53 PRO HD2 1 54 ASP H 3.080 . 3.080 2.951 2.843 3.068 . 0 0 "[ . 1 . 2]" 1
753 1 53 PRO HD3 1 54 ASP H 4.150 . 4.150 4.048 3.972 4.121 . 0 0 "[ . 1 . 2]" 1
754 1 53 PRO HG2 1 54 ASP H 3.130 . 3.130 3.095 2.994 3.141 0.011 4 0 "[ . 1 . 2]" 1
755 1 53 PRO HG3 1 54 ASP H 4.450 . 4.450 4.452 4.384 4.491 0.041 13 0 "[ . 1 . 2]" 1
756 1 54 ASP HA 1 55 ALA MB 4.990 . 4.990 4.926 4.893 4.947 . 0 0 "[ . 1 . 2]" 1
757 1 54 ASP HA 1 55 ALA H 3.270 . 3.270 3.386 3.302 3.421 0.151 4 0 "[ . 1 . 2]" 1
758 1 54 ASP HB2 1 55 ALA H 3.850 . 3.850 3.087 2.870 3.511 . 0 0 "[ . 1 . 2]" 1
759 1 54 ASP H 1 55 ALA HA 4.540 . 4.540 4.570 4.492 4.599 0.059 4 0 "[ . 1 . 2]" 1
760 1 54 ASP H 1 55 ALA MB 3.580 . 3.580 3.616 3.586 3.649 0.069 10 0 "[ . 1 . 2]" 1
761 1 54 ASP H 1 55 ALA H 2.410 . 2.410 1.909 1.869 1.947 . 0 0 "[ . 1 . 2]" 1
762 1 55 ALA HA 1 56 ASP QB 4.140 . 4.140 4.236 4.012 4.292 0.152 14 0 "[ . 1 . 2]" 1
763 1 55 ALA HA 1 56 ASP H 2.400 . 2.400 2.093 2.074 2.136 . 0 0 "[ . 1 . 2]" 1
764 1 55 ALA MB 1 56 ASP H 2.730 . 2.730 2.846 2.793 2.878 0.148 3 0 "[ . 1 . 2]" 1
765 1 55 ALA H 1 56 ASP H 4.690 . 4.690 4.537 4.516 4.560 . 0 0 "[ . 1 . 2]" 1
766 1 56 ASP HA 1 57 VAL HB 4.910 . 4.910 4.732 4.653 4.803 . 0 0 "[ . 1 . 2]" 1
767 1 56 ASP HA 1 57 VAL QG 3.600 . 3.600 3.395 3.322 3.452 . 0 0 "[ . 1 . 2]" 1
768 1 56 ASP HA 1 57 VAL H 2.400 . 2.400 2.200 2.156 2.283 . 0 0 "[ . 1 . 2]" 1
769 1 56 ASP QB 1 57 VAL H 3.400 . 3.400 2.900 2.565 3.482 0.082 9 0 "[ . 1 . 2]" 1
770 1 56 ASP H 1 57 VAL H 5.260 . 5.260 4.519 4.502 4.536 . 0 0 "[ . 1 . 2]" 1
771 1 57 VAL HA 1 58 ILE H 2.400 . 2.400 2.104 2.038 2.178 . 0 0 "[ . 1 . 2]" 1
772 1 57 VAL QG 1 58 ILE H 2.570 . 2.570 2.504 2.351 2.623 0.053 20 0 "[ . 1 . 2]" 1
773 1 58 ILE HA 1 59 GLU H 2.550 . 2.550 2.218 2.110 2.306 . 0 0 "[ . 1 . 2]" 1
774 1 58 ILE HB 1 59 GLU H 3.690 . 3.690 3.772 3.648 3.879 0.189 10 0 "[ . 1 . 2]" 1
775 1 58 ILE MD 1 59 GLU H 4.850 . 4.850 4.960 4.882 5.038 0.188 1 0 "[ . 1 . 2]" 1
776 1 58 ILE HG12 1 59 GLU H 4.770 . 4.770 4.611 4.545 4.715 . 0 0 "[ . 1 . 2]" 1
777 1 58 ILE HG13 1 59 GLU H 5.270 . 5.270 5.151 5.125 5.195 . 0 0 "[ . 1 . 2]" 1
778 1 58 ILE MG 1 59 GLU H 2.680 . 2.680 2.303 2.177 2.461 . 0 0 "[ . 1 . 2]" 1
779 1 59 GLU HA 1 60 ALA H 2.400 . 2.400 2.166 2.124 2.201 . 0 0 "[ . 1 . 2]" 1
780 1 59 GLU HB3 1 60 ALA H 4.410 . 4.410 3.744 3.531 3.862 . 0 0 "[ . 1 . 2]" 1
781 1 59 GLU HB2 1 60 ALA H 4.130 . 4.130 4.274 4.180 4.339 0.209 1 0 "[ . 1 . 2]" 1
782 2 2 ASN HA 2 3 LYS HA 4.490 . 4.490 4.501 4.404 4.531 0.041 4 0 "[ . 1 . 2]" 1
783 2 2 ASN HA 2 3 LYS HB2 4.660 . 4.660 4.465 4.214 4.667 0.007 12 0 "[ . 1 . 2]" 1
784 2 2 ASN HA 2 3 LYS QG 4.860 . 4.860 3.948 3.541 4.728 . 0 0 "[ . 1 . 2]" 1
785 2 2 ASN HA 2 3 LYS H 2.400 . 2.400 2.412 2.288 2.485 0.085 12 0 "[ . 1 . 2]" 1
786 2 2 ASN HD22 2 3 LYS H 4.740 . 4.740 4.548 4.231 4.817 0.077 14 0 "[ . 1 . 2]" 1
787 2 3 LYS HA 2 4 ALA H 2.400 . 2.400 2.159 2.101 2.219 . 0 0 "[ . 1 . 2]" 1
788 2 3 LYS HB2 2 4 ALA HA 5.500 . 5.500 5.168 5.028 5.368 . 0 0 "[ . 1 . 2]" 1
789 2 3 LYS HB3 2 4 ALA MB 4.990 . 4.990 4.735 4.491 4.894 . 0 0 "[ . 1 . 2]" 1
790 2 3 LYS HB3 2 4 ALA H 4.080 . 4.080 3.866 3.719 3.939 . 0 0 "[ . 1 . 2]" 1
791 2 3 LYS H 2 4 ALA MB 3.750 . 3.750 3.563 3.398 3.681 . 0 0 "[ . 1 . 2]" 1
792 2 3 LYS H 2 4 ALA H 4.430 . 4.430 3.725 3.619 3.873 . 0 0 "[ . 1 . 2]" 1
793 2 4 ALA HA 2 5 HIS H 2.700 . 2.700 2.507 2.424 2.578 . 0 0 "[ . 1 . 2]" 1
794 2 4 ALA MB 2 5 HIS HA 4.010 . 4.010 3.748 3.708 3.838 . 0 0 "[ . 1 . 2]" 1
795 2 4 ALA MB 2 5 HIS HB3 4.510 . 4.510 4.562 4.545 4.584 0.074 11 0 "[ . 1 . 2]" 1
796 2 4 ALA MB 2 5 HIS H 2.400 . 2.400 2.179 2.048 2.379 . 0 0 "[ . 1 . 2]" 1
797 2 5 HIS HA 2 6 PHE QD 4.770 . 4.770 4.164 3.987 4.277 . 0 0 "[ . 1 . 2]" 1
798 2 5 HIS HA 2 6 PHE H 2.520 . 2.520 2.253 2.232 2.274 . 0 0 "[ . 1 . 2]" 1
799 2 5 HIS HB2 2 6 PHE H 3.800 . 3.800 2.781 2.722 2.831 . 0 0 "[ . 1 . 2]" 1
800 2 5 HIS H 2 6 PHE HA 4.650 . 4.650 4.544 4.500 4.588 . 0 0 "[ . 1 . 2]" 1
801 2 5 HIS H 2 6 PHE H 4.200 . 4.200 4.214 4.196 4.238 0.038 11 0 "[ . 1 . 2]" 1
802 2 6 PHE HA 2 7 GLU HG2 4.990 . 4.990 5.005 4.896 5.083 0.093 8 0 "[ . 1 . 2]" 1
803 2 6 PHE HA 2 7 GLU H 2.400 . 2.400 2.248 2.222 2.293 . 0 0 "[ . 1 . 2]" 1
804 2 6 PHE HB3 2 7 GLU HA 4.790 . 4.790 4.233 4.161 4.301 . 0 0 "[ . 1 . 2]" 1
805 2 6 PHE HB3 2 7 GLU H 3.540 . 3.540 2.825 2.731 2.932 . 0 0 "[ . 1 . 2]" 1
806 2 6 PHE HB2 2 7 GLU HA 5.160 . 5.160 4.823 4.748 4.875 . 0 0 "[ . 1 . 2]" 1
807 2 6 PHE QD 2 7 GLU QB 5.450 . 5.450 5.567 5.522 5.614 0.164 20 0 "[ . 1 . 2]" 1
808 2 6 PHE QD 2 7 GLU H 3.420 . 3.420 3.387 3.327 3.436 0.016 20 0 "[ . 1 . 2]" 1
809 2 6 PHE H 2 7 GLU HG3 5.400 . 5.400 4.755 4.662 4.877 . 0 0 "[ . 1 . 2]" 1
810 2 7 GLU HA 2 8 VAL HA 4.420 . 4.420 4.394 4.374 4.410 . 0 0 "[ . 1 . 2]" 1
811 2 7 GLU HA 2 8 VAL H 2.400 . 2.400 2.120 2.097 2.147 . 0 0 "[ . 1 . 2]" 1
812 2 7 GLU H 2 8 VAL H 4.280 . 4.280 4.131 4.099 4.162 . 0 0 "[ . 1 . 2]" 1
813 2 8 VAL HA 2 9 PHE QD 3.720 . 3.720 3.061 2.953 3.210 . 0 0 "[ . 1 . 2]" 1
814 2 8 VAL HA 2 9 PHE QE 5.310 . 5.310 4.763 4.550 4.943 . 0 0 "[ . 1 . 2]" 1
815 2 8 VAL HA 2 9 PHE H 2.400 . 2.400 2.195 2.172 2.215 . 0 0 "[ . 1 . 2]" 1
816 2 8 VAL HB 2 9 PHE H 4.760 . 4.760 4.136 4.110 4.165 . 0 0 "[ . 1 . 2]" 1
817 2 8 VAL MG2 2 9 PHE QD 5.000 . 5.000 4.874 4.794 5.025 0.025 10 0 "[ . 1 . 2]" 1
818 2 8 VAL MG1 2 9 PHE QD 4.610 . 4.610 4.225 4.153 4.309 . 0 0 "[ . 1 . 2]" 1
819 2 8 VAL MG1 2 9 PHE H 2.510 . 2.510 2.523 2.479 2.554 0.044 4 0 "[ . 1 . 2]" 1
820 2 9 PHE HA 2 10 VAL HA 4.690 . 4.690 4.378 4.344 4.400 . 0 0 "[ . 1 . 2]" 1
821 2 9 PHE HA 2 10 VAL HB 4.510 . 4.510 4.520 4.384 4.572 0.062 18 0 "[ . 1 . 2]" 1
822 2 9 PHE HA 2 10 VAL MG2 4.170 . 4.170 3.868 3.691 4.214 0.044 15 0 "[ . 1 . 2]" 1
823 2 9 PHE HA 2 10 VAL H 2.850 . 2.850 2.611 2.551 2.644 . 0 0 "[ . 1 . 2]" 1
824 2 9 PHE HB2 2 10 VAL H 2.590 . 2.590 2.142 2.055 2.287 . 0 0 "[ . 1 . 2]" 1
825 2 9 PHE HB3 2 10 VAL H 3.760 . 3.760 3.647 3.578 3.756 . 0 0 "[ . 1 . 2]" 1
826 2 9 PHE QD 2 10 VAL HA 4.880 . 4.880 4.322 4.147 4.473 . 0 0 "[ . 1 . 2]" 1
827 2 9 PHE QD 2 10 VAL MG2 5.240 . 5.240 5.006 4.936 5.130 . 0 0 "[ . 1 . 2]" 1
828 2 9 PHE QD 2 10 VAL MG1 4.580 . 4.580 4.581 4.329 4.660 0.080 6 0 "[ . 1 . 2]" 1
829 2 9 PHE QD 2 10 VAL H 2.720 . 2.720 2.714 2.616 2.763 0.043 15 0 "[ . 1 . 2]" 1
830 2 9 PHE QE 2 10 VAL HA 5.490 . 5.490 5.225 5.090 5.381 . 0 0 "[ . 1 . 2]" 1
831 2 9 PHE QE 2 10 VAL H 4.650 . 4.650 4.729 4.681 4.783 0.133 16 0 "[ . 1 . 2]" 1
832 2 9 PHE H 2 10 VAL H 4.870 . 4.870 4.368 4.335 4.397 . 0 0 "[ . 1 . 2]" 1
833 2 10 VAL HA 2 11 ASP HB2 4.500 . 4.500 4.295 4.224 4.375 . 0 0 "[ . 1 . 2]" 1
834 2 10 VAL HA 2 11 ASP H 2.400 . 2.400 2.141 2.097 2.165 . 0 0 "[ . 1 . 2]" 1
835 2 10 VAL HB 2 11 ASP HA 5.500 . 5.500 5.512 5.477 5.619 0.119 8 0 "[ . 1 . 2]" 1
836 2 10 VAL HB 2 11 ASP H 4.630 . 4.630 4.251 4.206 4.330 . 0 0 "[ . 1 . 2]" 1
837 2 10 VAL MG2 2 11 ASP HA 5.500 . 5.500 5.496 5.372 5.533 0.033 16 0 "[ . 1 . 2]" 1
838 2 10 VAL MG2 2 11 ASP H 3.570 . 3.570 3.442 3.251 3.536 . 0 0 "[ . 1 . 2]" 1
839 2 10 VAL MG1 2 11 ASP HA 4.230 . 4.230 3.811 3.758 3.853 . 0 0 "[ . 1 . 2]" 1
840 2 10 VAL MG1 2 11 ASP H 2.560 . 2.560 2.420 2.316 2.587 0.027 15 0 "[ . 1 . 2]" 1
841 2 11 ASP HA 2 12 ALA HA 4.440 . 4.440 4.313 4.278 4.351 . 0 0 "[ . 1 . 2]" 1
842 2 11 ASP HA 2 12 ALA MB 4.370 . 4.370 4.207 4.173 4.256 . 0 0 "[ . 1 . 2]" 1
843 2 11 ASP HA 2 12 ALA H 2.850 . 2.850 2.599 2.547 2.674 . 0 0 "[ . 1 . 2]" 1
844 2 11 ASP HB2 2 12 ALA H 3.910 . 3.910 3.672 3.632 3.711 . 0 0 "[ . 1 . 2]" 1
845 2 11 ASP HB3 2 12 ALA HA 4.650 . 4.650 4.787 4.757 4.812 0.162 2 0 "[ . 1 . 2]" 1
846 2 11 ASP HB3 2 12 ALA MB 4.380 . 4.380 4.413 4.348 4.448 0.068 7 0 "[ . 1 . 2]" 1
847 2 11 ASP HB3 2 12 ALA H 2.830 . 2.830 2.945 2.880 2.991 0.161 5 0 "[ . 1 . 2]" 1
848 2 11 ASP H 2 12 ALA H 4.650 . 4.650 4.487 4.475 4.499 . 0 0 "[ . 1 . 2]" 1
849 2 12 ALA HA 2 13 ALA HA 4.650 . 4.650 4.561 4.502 4.598 . 0 0 "[ . 1 . 2]" 1
850 2 12 ALA MB 2 13 ALA HA 4.320 . 4.320 4.056 4.013 4.159 . 0 0 "[ . 1 . 2]" 1
851 2 12 ALA MB 2 13 ALA H 3.450 . 3.450 3.079 3.004 3.207 . 0 0 "[ . 1 . 2]" 1
852 2 12 ALA H 2 13 ALA MB 4.430 . 4.430 4.151 4.042 4.219 . 0 0 "[ . 1 . 2]" 1
853 2 12 ALA H 2 13 ALA H 2.870 . 2.870 2.505 2.409 2.613 . 0 0 "[ . 1 . 2]" 1
854 2 13 ALA HA 2 14 ASP H 3.110 . 3.110 3.035 2.969 3.102 . 0 0 "[ . 1 . 2]" 1
855 2 13 ALA MB 2 14 ASP H 3.790 . 3.790 3.521 3.461 3.591 . 0 0 "[ . 1 . 2]" 1
856 2 13 ALA H 2 14 ASP HA 4.620 . 4.620 4.528 4.404 4.609 . 0 0 "[ . 1 . 2]" 1
857 2 13 ALA H 2 14 ASP H 2.550 . 2.550 2.424 2.271 2.549 . 0 0 "[ . 1 . 2]" 1
858 2 14 ASP HA 2 15 LYS HA 4.750 . 4.750 4.476 4.427 4.530 . 0 0 "[ . 1 . 2]" 1
859 2 14 ASP HA 2 15 LYS QE 5.500 . 5.500 5.657 5.524 5.763 0.263 11 0 "[ . 1 . 2]" 1
860 2 14 ASP HA 2 15 LYS QG 5.160 . 5.160 4.246 3.993 4.662 . 0 0 "[ . 1 . 2]" 1
861 2 14 ASP HA 2 15 LYS H 2.880 . 2.880 2.744 2.669 2.801 . 0 0 "[ . 1 . 2]" 1
862 2 14 ASP QB 2 15 LYS QD 5.120 . 5.120 4.556 3.960 4.958 . 0 0 "[ . 1 . 2]" 1
863 2 14 ASP H 2 15 LYS QG 3.860 . 3.860 3.561 3.346 3.847 . 0 0 "[ . 1 . 2]" 1
864 2 14 ASP H 2 15 LYS H 2.760 . 2.760 2.529 2.438 2.680 . 0 0 "[ . 1 . 2]" 1
865 2 15 LYS HA 2 16 TYR QE 4.830 . 4.830 4.804 4.650 4.904 0.074 18 0 "[ . 1 . 2]" 1
866 2 15 LYS HA 2 16 TYR H 2.700 . 2.700 2.257 2.124 2.338 . 0 0 "[ . 1 . 2]" 1
867 2 15 LYS HB3 2 16 TYR H 3.800 . 3.800 2.642 2.531 2.807 . 0 0 "[ . 1 . 2]" 1
868 2 15 LYS HB2 2 16 TYR H 3.330 . 3.330 3.485 3.415 3.579 0.249 16 0 "[ . 1 . 2]" 1
869 2 15 LYS QG 2 16 TYR H . . 4.840 4.306 4.237 4.404 . 0 0 "[ . 1 . 2]" 1
870 2 16 TYR HA 2 17 ARG H 2.400 . 2.400 2.103 2.047 2.192 . 0 0 "[ . 1 . 2]" 1
871 2 16 TYR HB3 2 17 ARG H 4.390 . 4.390 3.542 3.358 3.772 . 0 0 "[ . 1 . 2]" 1
872 2 17 ARG HA 2 18 TRP H 2.800 . 2.800 2.602 2.564 2.637 . 0 0 "[ . 1 . 2]" 1
873 2 17 ARG HB3 2 18 TRP HA 5.070 . 5.070 4.453 4.266 4.642 . 0 0 "[ . 1 . 2]" 1
874 2 17 ARG HB3 2 18 TRP H 2.840 . 2.840 2.180 2.053 2.341 . 0 0 "[ . 1 . 2]" 1
875 2 17 ARG HB2 2 18 TRP H 3.040 . 3.040 3.074 2.955 3.147 0.107 14 0 "[ . 1 . 2]" 1
876 2 17 ARG QD 2 18 TRP H 4.960 . 4.960 4.600 4.225 4.861 . 0 0 "[ . 1 . 2]" 1
877 2 17 ARG QG 2 18 TRP H 4.600 . 4.600 4.017 3.847 4.182 . 0 0 "[ . 1 . 2]" 1
878 2 17 ARG H 2 18 TRP HA 5.010 . 5.010 4.703 4.634 4.812 . 0 0 "[ . 1 . 2]" 1
879 2 17 ARG H 2 18 TRP H 4.420 . 4.420 4.376 4.346 4.424 0.004 5 0 "[ . 1 . 2]" 1
880 2 18 TRP HA 2 19 ARG HA 4.810 . 4.810 4.473 4.449 4.497 . 0 0 "[ . 1 . 2]" 1
881 2 18 TRP HA 2 19 ARG HB2 4.690 . 4.690 4.252 4.153 4.380 . 0 0 "[ . 1 . 2]" 1
882 2 18 TRP HA 2 19 ARG QG 4.670 . 4.670 3.925 3.360 4.576 . 0 0 "[ . 1 . 2]" 1
883 2 18 TRP HA 2 19 ARG H 2.610 . 2.610 2.356 2.318 2.408 . 0 0 "[ . 1 . 2]" 1
884 2 18 TRP HB3 2 19 ARG H 4.100 . 4.100 3.645 3.460 3.727 . 0 0 "[ . 1 . 2]" 1
885 2 18 TRP HB2 2 19 ARG HA 4.730 . 4.730 4.275 4.216 4.306 . 0 0 "[ . 1 . 2]" 1
886 2 18 TRP HB2 2 19 ARG HB2 5.500 . 5.500 5.085 4.771 5.208 . 0 0 "[ . 1 . 2]" 1
887 2 18 TRP HB2 2 19 ARG QD 5.500 . 5.500 5.614 4.609 5.803 0.303 9 0 "[ . 1 . 2]" 1
888 2 18 TRP HB2 2 19 ARG QG 5.440 . 5.440 4.965 4.696 5.444 0.004 10 0 "[ . 1 . 2]" 1
889 2 18 TRP HB2 2 19 ARG H 2.870 . 2.870 2.322 2.072 2.432 . 0 0 "[ . 1 . 2]" 1
890 2 18 TRP H 2 19 ARG HA 4.800 . 4.800 4.808 4.738 4.841 0.041 12 0 "[ . 1 . 2]" 1
891 2 18 TRP H 2 19 ARG QG 4.310 . 4.310 3.952 3.689 4.465 0.155 10 0 "[ . 1 . 2]" 1
892 2 18 TRP H 2 19 ARG H 4.410 . 4.410 4.356 4.327 4.376 . 0 0 "[ . 1 . 2]" 1
893 2 19 ARG HA 2 20 LEU H 2.500 . 2.500 2.217 2.178 2.254 . 0 0 "[ . 1 . 2]" 1
894 2 19 ARG HB3 2 20 LEU H 3.370 . 3.370 2.871 2.658 3.001 . 0 0 "[ . 1 . 2]" 1
895 2 19 ARG H 2 20 LEU HA 4.740 . 4.740 4.598 4.574 4.639 . 0 0 "[ . 1 . 2]" 1
896 2 19 ARG H 2 20 LEU MD1 5.500 . 5.500 5.609 5.590 5.636 0.136 11 0 "[ . 1 . 2]" 1
897 2 20 LEU HA 2 21 VAL QG 3.700 . 3.700 3.226 3.186 3.270 . 0 0 "[ . 1 . 2]" 1
898 2 20 LEU HA 2 21 VAL H 2.450 . 2.450 2.177 2.153 2.204 . 0 0 "[ . 1 . 2]" 1
899 2 20 LEU HB2 2 21 VAL QG 5.160 . 5.160 5.059 5.024 5.099 . 0 0 "[ . 1 . 2]" 1
900 2 20 LEU HB2 2 21 VAL H 4.360 . 4.360 4.212 4.183 4.232 . 0 0 "[ . 1 . 2]" 1
901 2 20 LEU HB3 2 21 VAL H 3.930 . 3.930 3.991 3.970 4.020 0.090 12 0 "[ . 1 . 2]" 1
902 2 20 LEU MD1 2 21 VAL HA 5.050 . 5.050 4.721 4.623 4.755 . 0 0 "[ . 1 . 2]" 1
903 2 20 LEU MD1 2 21 VAL HB 5.270 . 5.270 4.774 4.709 4.828 . 0 0 "[ . 1 . 2]" 1
904 2 20 LEU MD1 2 21 VAL H 2.730 . 2.730 2.403 2.313 2.455 . 0 0 "[ . 1 . 2]" 1
905 2 20 LEU MD2 2 21 VAL H 4.320 . 4.320 4.318 4.271 4.355 0.035 13 0 "[ . 1 . 2]" 1
906 2 20 LEU HG 2 21 VAL H 3.060 . 3.060 2.817 2.752 2.875 . 0 0 "[ . 1 . 2]" 1
907 2 20 LEU H 2 21 VAL HA 5.500 . 5.500 5.056 4.982 5.121 . 0 0 "[ . 1 . 2]" 1
908 2 21 VAL HA 2 22 HIS HB2 4.290 . 4.290 4.261 4.217 4.301 0.011 1 0 "[ . 1 . 2]" 1
909 2 21 VAL HA 2 22 HIS H 2.400 . 2.400 2.170 2.157 2.188 . 0 0 "[ . 1 . 2]" 1
910 2 21 VAL HB 2 22 HIS HA 5.000 . 5.000 4.916 4.833 4.969 . 0 0 "[ . 1 . 2]" 1
911 2 21 VAL HB 2 22 HIS H 4.070 . 4.070 4.020 3.951 4.065 . 0 0 "[ . 1 . 2]" 1
912 2 21 VAL QG 2 22 HIS H 2.960 . 2.960 2.616 2.548 2.661 . 0 0 "[ . 1 . 2]" 1
913 2 22 HIS HA 2 23 ASP H 2.700 . 2.700 2.472 2.423 2.499 . 0 0 "[ . 1 . 2]" 1
914 2 22 HIS HB3 2 23 ASP H 3.170 . 3.170 2.955 2.864 3.096 . 0 0 "[ . 1 . 2]" 1
915 2 22 HIS HB2 2 23 ASP H 3.870 . 3.870 3.903 3.844 3.959 0.089 12 0 "[ . 1 . 2]" 1
916 2 22 HIS HD2 2 23 ASP H 4.660 . 4.660 4.217 3.702 4.460 . 0 0 "[ . 1 . 2]" 1
917 2 23 ASP HB2 2 24 ASN H 4.440 . 4.440 4.001 3.768 4.158 . 0 0 "[ . 1 . 2]" 1
918 2 24 ASN HB2 2 25 GLY H 3.720 . 3.720 2.688 2.593 2.835 . 0 0 "[ . 1 . 2]" 1
919 2 24 ASN HD22 2 25 GLY H 5.070 . 5.070 5.210 5.157 5.263 0.193 15 0 "[ . 1 . 2]" 1
920 2 24 ASN HD21 2 25 GLY H 4.170 . 4.170 4.236 3.806 4.298 0.128 16 0 "[ . 1 . 2]" 1
921 2 25 GLY HA2 2 26 ASN HD22 5.500 . 5.500 5.589 5.542 5.699 0.199 3 0 "[ . 1 . 2]" 1
922 2 25 GLY HA2 2 26 ASN H 3.080 . 3.080 3.110 3.086 3.128 0.048 10 0 "[ . 1 . 2]" 1
923 2 25 GLY H 2 26 ASN HD22 3.760 . 3.760 3.721 3.618 3.835 0.075 3 0 "[ . 1 . 2]" 1
924 2 26 ASN HA 2 27 ILE HB 4.710 . 4.710 4.695 4.651 4.728 0.018 3 0 "[ . 1 . 2]" 1
925 2 26 ASN HA 2 27 ILE H 2.400 . 2.400 2.203 2.170 2.252 . 0 0 "[ . 1 . 2]" 1
926 2 26 ASN HB3 2 27 ILE H 3.670 . 3.670 3.696 3.617 3.728 0.058 8 0 "[ . 1 . 2]" 1
927 2 26 ASN HB2 2 27 ILE HA 4.920 . 4.920 4.682 4.628 4.728 . 0 0 "[ . 1 . 2]" 1
928 2 26 ASN HB2 2 27 ILE H 3.800 . 3.800 2.911 2.869 2.966 . 0 0 "[ . 1 . 2]" 1
929 2 26 ASN HD21 2 27 ILE H 4.820 . 4.820 4.140 4.074 4.227 . 0 0 "[ . 1 . 2]" 1
930 2 27 ILE HA 2 28 LEU H 2.440 . 2.440 2.110 2.088 2.157 . 0 0 "[ . 1 . 2]" 1
931 2 27 ILE MD 2 28 LEU H 3.830 . 3.830 3.704 3.648 3.744 . 0 0 "[ . 1 . 2]" 1
932 2 27 ILE MG 2 28 LEU H 3.140 . 3.140 2.824 2.675 2.895 . 0 0 "[ . 1 . 2]" 1
933 2 27 ILE H 2 28 LEU HA 5.480 . 5.480 5.247 5.137 5.318 . 0 0 "[ . 1 . 2]" 1
934 2 27 ILE H 2 28 LEU MD2 5.160 . 5.160 4.972 4.920 5.041 . 0 0 "[ . 1 . 2]" 1
935 2 28 LEU HA 2 29 ALA HA 4.700 . 4.700 4.563 4.547 4.586 . 0 0 "[ . 1 . 2]" 1
936 2 28 LEU QB 2 29 ALA HA 4.500 . 4.500 4.298 4.274 4.343 . 0 0 "[ . 1 . 2]" 1
937 2 28 LEU QB 2 29 ALA MB 3.410 . 3.410 3.203 3.174 3.235 . 0 0 "[ . 1 . 2]" 1
938 2 28 LEU QB 2 29 ALA H 2.730 . 2.730 2.313 2.263 2.363 . 0 0 "[ . 1 . 2]" 1
939 2 28 LEU MD1 2 29 ALA H 3.650 . 3.650 3.997 3.960 4.039 0.389 16 0 "[ . 1 . 2]" 1
940 2 28 LEU HG 2 29 ALA H 5.150 . 5.150 3.942 3.905 3.991 . 0 0 "[ . 1 . 2]" 1
941 2 28 LEU H 2 29 ALA MB 4.690 . 4.690 4.426 4.358 4.471 . 0 0 "[ . 1 . 2]" 1
942 2 28 LEU H 2 29 ALA H 2.640 . 2.640 2.189 2.099 2.266 . 0 0 "[ . 1 . 2]" 1
943 2 29 ALA HA 2 30 ASP HB3 4.330 . 4.330 4.347 4.249 4.424 0.094 20 0 "[ . 1 . 2]" 1
944 2 29 ALA HA 2 30 ASP H 2.700 . 2.700 2.346 2.284 2.410 . 0 0 "[ . 1 . 2]" 1
945 2 29 ALA MB 2 30 ASP HB2 4.850 . 4.850 4.815 4.738 4.879 0.029 5 0 "[ . 1 . 2]" 1
946 2 29 ALA MB 2 30 ASP H 2.500 . 2.500 2.319 2.193 2.422 . 0 0 "[ . 1 . 2]" 1
947 2 29 ALA H 2 30 ASP HB2 5.210 . 5.210 5.243 5.207 5.296 0.086 5 0 "[ . 1 . 2]" 1
948 2 29 ALA H 2 30 ASP H 4.560 . 4.560 4.382 4.361 4.406 . 0 0 "[ . 1 . 2]" 1
949 2 30 ASP HA 2 31 SER H 2.400 . 2.400 2.350 2.294 2.408 0.008 9 0 "[ . 1 . 2]" 1
950 2 30 ASP HB3 2 31 SER H 4.110 . 4.110 3.820 3.722 3.938 . 0 0 "[ . 1 . 2]" 1
951 2 30 ASP HB2 2 31 SER H 3.920 . 3.920 3.910 3.763 3.974 0.054 12 0 "[ . 1 . 2]" 1
952 2 30 ASP H 2 31 SER HA 5.490 . 5.490 5.032 4.936 5.092 . 0 0 "[ . 1 . 2]" 1
953 2 31 SER QB 2 32 GLY HA3 5.500 . 5.500 4.697 4.625 4.766 . 0 0 "[ . 1 . 2]" 1
954 2 31 SER QB 2 32 GLY H 3.410 . 3.410 3.421 3.325 3.487 0.077 9 0 "[ . 1 . 2]" 1
955 2 31 SER H 2 32 GLY H 3.580 . 3.580 2.785 2.660 2.867 . 0 0 "[ . 1 . 2]" 1
956 2 32 GLY HA2 2 33 GLU HA 4.650 . 4.650 4.615 4.537 4.696 0.046 5 0 "[ . 1 . 2]" 1
957 2 32 GLY H 2 33 GLU H 3.070 . 3.070 3.177 3.017 3.288 0.218 20 0 "[ . 1 . 2]" 1
958 2 33 GLU HA 2 34 GLY H 2.840 . 2.840 2.538 2.355 2.740 . 0 0 "[ . 1 . 2]" 1
959 2 33 GLU HB2 2 34 GLY HA2 5.040 . 5.040 4.570 3.945 4.803 . 0 0 "[ . 1 . 2]" 1
960 2 33 GLU HB2 2 34 GLY H 3.510 . 3.510 3.373 2.936 3.590 0.080 6 0 "[ . 1 . 2]" 1
961 2 33 GLU HB3 2 34 GLY H 2.510 . 2.510 2.089 1.876 2.283 . 0 0 "[ . 1 . 2]" 1
962 2 33 GLU HG3 2 34 GLY H 4.690 . 4.690 4.558 4.309 4.765 0.075 13 0 "[ . 1 . 2]" 1
963 2 33 GLU HG2 2 34 GLY H 4.500 . 4.500 4.263 3.751 4.668 0.168 7 0 "[ . 1 . 2]" 1
964 2 34 GLY HA2 2 35 TYR H 2.600 . 2.600 2.206 2.130 2.291 . 0 0 "[ . 1 . 2]" 1
965 2 34 GLY HA3 2 35 TYR H 3.340 . 3.340 3.115 2.979 3.371 0.031 4 0 "[ . 1 . 2]" 1
966 2 34 GLY H 2 35 TYR H 4.390 . 4.390 4.245 3.633 4.434 0.044 13 0 "[ . 1 . 2]" 1
967 2 35 TYR HB3 2 36 ALA HA 4.610 . 4.610 4.653 4.574 4.743 0.133 3 0 "[ . 1 . 2]" 1
968 2 35 TYR H 2 36 ALA HA 5.180 . 5.180 4.812 4.637 5.010 . 0 0 "[ . 1 . 2]" 1
969 2 36 ALA HA 2 37 SER H 3.140 . 3.140 3.174 3.144 3.189 0.049 5 0 "[ . 1 . 2]" 1
970 2 36 ALA MB 2 37 SER H 3.500 . 3.500 3.473 3.444 3.510 0.010 19 0 "[ . 1 . 2]" 1
971 2 37 SER HA 2 38 LYS H 3.270 . 3.270 2.131 2.096 2.183 . 0 0 "[ . 1 . 2]" 1
972 2 37 SER HB3 2 38 LYS H 4.750 . 4.750 3.264 3.063 4.068 . 0 0 "[ . 1 . 2]" 1
973 2 37 SER HB2 2 38 LYS HA 5.010 . 5.010 5.061 4.961 5.122 0.112 1 0 "[ . 1 . 2]" 1
974 2 37 SER HB2 2 38 LYS H 3.820 . 3.820 3.840 3.314 3.966 0.146 16 0 "[ . 1 . 2]" 1
975 2 37 SER H 2 38 LYS H 4.450 . 4.450 4.318 4.247 4.407 . 0 0 "[ . 1 . 2]" 1
976 2 38 LYS HA 2 39 GLN HA 4.870 . 4.870 4.816 4.791 4.850 . 0 0 "[ . 1 . 2]" 1
977 2 38 LYS HB2 2 39 GLN HA 4.750 . 4.750 4.578 4.364 4.705 . 0 0 "[ . 1 . 2]" 1
978 2 38 LYS HG2 2 39 GLN HA 5.020 . 5.020 4.417 4.197 4.698 . 0 0 "[ . 1 . 2]" 1
979 2 38 LYS HG2 2 39 GLN HB3 4.370 . 4.370 4.479 4.421 4.573 0.203 9 0 "[ . 1 . 2]" 1
980 2 38 LYS HG3 2 39 GLN HA 5.080 . 5.080 3.380 3.163 3.661 . 0 0 "[ . 1 . 2]" 1
981 2 38 LYS HG3 2 39 GLN H 5.280 . 5.280 2.584 2.266 2.827 . 0 0 "[ . 1 . 2]" 1
982 2 38 LYS H 2 39 GLN HB3 4.880 . 4.880 4.747 4.624 4.887 0.007 18 0 "[ . 1 . 2]" 1
983 2 39 GLN HB2 2 40 LYS H 4.190 . 4.190 3.890 3.826 3.951 . 0 0 "[ . 1 . 2]" 1
984 2 39 GLN HB3 2 40 LYS H 3.810 . 3.810 2.570 2.479 2.660 . 0 0 "[ . 1 . 2]" 1
985 2 39 GLN QG 2 40 LYS HA 3.610 . 3.610 3.472 3.347 3.610 . 0 0 "[ . 1 . 2]" 1
986 2 39 GLN QG 2 40 LYS H 3.630 . 3.630 3.510 3.394 3.640 0.010 14 0 "[ . 1 . 2]" 1
987 2 39 GLN H 2 40 LYS H 3.140 . 3.140 2.704 2.625 2.781 . 0 0 "[ . 1 . 2]" 1
988 2 40 LYS QB 2 41 ALA H 2.660 . 2.660 2.584 2.488 2.697 0.037 20 0 "[ . 1 . 2]" 1
989 2 40 LYS HG3 2 41 ALA HA 3.660 . 3.660 3.727 3.586 3.778 0.118 19 0 "[ . 1 . 2]" 1
990 2 40 LYS HG3 2 41 ALA H 4.250 . 4.250 3.750 3.574 3.878 . 0 0 "[ . 1 . 2]" 1
991 2 40 LYS H 2 41 ALA MB 4.660 . 4.660 4.359 4.323 4.440 . 0 0 "[ . 1 . 2]" 1
992 2 40 LYS H 2 41 ALA H 2.990 . 2.990 2.694 2.650 2.792 . 0 0 "[ . 1 . 2]" 1
993 2 41 ALA HA 2 42 LYS HA 4.930 . 4.930 4.732 4.715 4.753 . 0 0 "[ . 1 . 2]" 1
994 2 41 ALA HA 2 42 LYS HG2 5.500 . 5.500 5.670 5.601 5.749 0.249 12 0 "[ . 1 . 2]" 1
995 2 41 ALA MB 2 42 LYS H 2.510 . 2.510 2.338 2.213 2.457 . 0 0 "[ . 1 . 2]" 1
996 2 41 ALA H 2 42 LYS H 3.000 . 3.000 2.765 2.702 2.829 . 0 0 "[ . 1 . 2]" 1
997 2 42 LYS HB2 2 43 GLN HE22 4.330 . 4.330 3.659 3.149 3.855 . 0 0 "[ . 1 . 2]" 1
998 2 42 LYS HB2 2 43 GLN H 3.070 . 3.070 2.751 2.608 2.800 . 0 0 "[ . 1 . 2]" 1
999 2 42 LYS HB3 2 43 GLN HE21 4.180 . 4.180 3.676 3.530 3.761 . 0 0 "[ . 1 . 2]" 1
1000 2 42 LYS HB3 2 43 GLN HE22 4.240 . 4.240 4.242 3.986 4.305 0.065 2 0 "[ . 1 . 2]" 1
1001 2 42 LYS HB3 2 43 GLN H 3.760 . 3.760 3.835 3.777 3.871 0.111 5 0 "[ . 1 . 2]" 1
1002 2 42 LYS HE2 2 43 GLN HE21 5.010 . 5.010 4.800 4.358 4.982 . 0 0 "[ . 1 . 2]" 1
1003 2 42 LYS HE2 2 43 GLN H 5.500 . 5.500 5.550 5.265 6.352 0.852 19 1 "[ . 1 . +2]" 1
1004 2 42 LYS HE3 2 43 GLN HE21 4.730 . 4.730 3.852 3.223 4.089 . 0 0 "[ . 1 . 2]" 1
1005 2 43 GLN QB 2 44 GLY H 3.700 . 3.700 2.880 2.782 2.961 . 0 0 "[ . 1 . 2]" 1
1006 2 43 GLN H 2 44 GLY H 2.800 . 2.800 2.630 2.600 2.661 . 0 0 "[ . 1 . 2]" 1
1007 2 44 GLY QA 2 45 ILE HB 5.050 . 5.050 4.830 4.766 4.888 . 0 0 "[ . 1 . 2]" 1
1008 2 44 GLY QA 2 45 ILE H 2.730 . 2.730 2.664 2.629 2.692 . 0 0 "[ . 1 . 2]" 1
1009 2 44 GLY H 2 45 ILE MD 4.520 . 4.520 4.623 4.604 4.650 0.130 13 0 "[ . 1 . 2]" 1
1010 2 44 GLY H 2 45 ILE H 2.820 . 2.820 2.514 2.488 2.570 . 0 0 "[ . 1 . 2]" 1
1011 2 45 ILE HB 2 46 GLU HG2 4.510 . 4.510 3.587 2.997 4.224 . 0 0 "[ . 1 . 2]" 1
1012 2 45 ILE HB 2 46 GLU H 2.860 . 2.860 2.399 2.265 2.545 . 0 0 "[ . 1 . 2]" 1
1013 2 45 ILE MG 2 46 GLU HA 3.810 . 3.810 3.330 3.170 3.487 . 0 0 "[ . 1 . 2]" 1
1014 2 45 ILE MG 2 46 GLU QB 4.920 . 4.920 4.550 4.311 4.772 . 0 0 "[ . 1 . 2]" 1
1015 2 45 ILE MG 2 46 GLU HG3 4.730 . 4.730 4.509 4.050 4.836 0.106 19 0 "[ . 1 . 2]" 1
1016 2 45 ILE MG 2 46 GLU HG2 4.680 . 4.680 3.658 3.239 4.131 . 0 0 "[ . 1 . 2]" 1
1017 2 45 ILE MG 2 46 GLU H 3.690 . 3.690 3.247 3.030 3.429 . 0 0 "[ . 1 . 2]" 1
1018 2 45 ILE H 2 46 GLU HA 5.500 . 5.500 5.305 5.279 5.338 . 0 0 "[ . 1 . 2]" 1
1019 2 45 ILE H 2 46 GLU H 2.690 . 2.690 2.728 2.692 2.784 0.094 4 0 "[ . 1 . 2]" 1
1020 2 46 GLU QB 2 47 SER H 2.900 . 2.900 2.639 2.492 2.757 . 0 0 "[ . 1 . 2]" 1
1021 2 47 SER HB2 2 48 VAL HA 4.730 . 4.730 4.288 4.249 4.339 . 0 0 "[ . 1 . 2]" 1
1022 2 47 SER HB3 2 48 VAL HA 4.570 . 4.570 4.419 4.352 4.458 . 0 0 "[ . 1 . 2]" 1
1023 2 48 VAL HB 2 49 LYS H 3.840 . 3.840 3.716 3.627 3.802 . 0 0 "[ . 1 . 2]" 1
1024 2 48 VAL MG2 2 49 LYS H 4.300 . 4.300 4.057 4.012 4.111 . 0 0 "[ . 1 . 2]" 1
1025 2 48 VAL MG1 2 49 LYS HA 3.880 . 3.880 3.008 2.920 3.054 . 0 0 "[ . 1 . 2]" 1
1026 2 48 VAL MG1 2 49 LYS QG 3.100 . 3.100 2.216 2.123 2.290 . 0 0 "[ . 1 . 2]" 1
1027 2 48 VAL MG1 2 49 LYS H 2.890 . 2.890 2.190 2.118 2.299 . 0 0 "[ . 1 . 2]" 1
1028 2 48 VAL H 2 49 LYS QG 4.790 . 4.790 4.142 4.041 4.267 . 0 0 "[ . 1 . 2]" 1
1029 2 48 VAL H 2 49 LYS H 2.540 . 2.540 2.476 2.389 2.534 . 0 0 "[ . 1 . 2]" 1
1030 2 49 LYS HA 2 50 ARG H 3.490 . 3.490 3.352 3.314 3.388 . 0 0 "[ . 1 . 2]" 1
1031 2 49 LYS HB3 2 50 ARG H 4.200 . 4.200 4.087 4.001 4.166 . 0 0 "[ . 1 . 2]" 1
1032 2 49 LYS HB2 2 50 ARG H 3.850 . 3.850 3.303 3.143 3.407 . 0 0 "[ . 1 . 2]" 1
1033 2 49 LYS QG 2 50 ARG H 5.450 . 5.450 4.291 4.220 4.353 . 0 0 "[ . 1 . 2]" 1
1034 2 49 LYS H 2 50 ARG HB3 5.500 . 5.500 5.001 4.732 5.328 . 0 0 "[ . 1 . 2]" 1
1035 2 49 LYS H 2 50 ARG HB2 4.530 . 4.530 4.562 4.366 4.655 0.125 17 0 "[ . 1 . 2]" 1
1036 2 49 LYS H 2 50 ARG H 2.790 . 2.790 2.612 2.543 2.669 . 0 0 "[ . 1 . 2]" 1
1037 2 50 ARG HA 2 51 ASN HD21 5.290 . 5.290 4.574 4.361 4.777 . 0 0 "[ . 1 . 2]" 1
1038 2 50 ARG HA 2 51 ASN H 3.390 . 3.390 3.292 3.269 3.353 . 0 0 "[ . 1 . 2]" 1
1039 2 50 ARG HB3 2 51 ASN HA 4.700 . 4.700 4.619 4.458 4.734 0.034 3 0 "[ . 1 . 2]" 1
1040 2 50 ARG HB3 2 51 ASN HB2 4.910 . 4.910 4.541 4.409 4.741 . 0 0 "[ . 1 . 2]" 1
1041 2 50 ARG HB3 2 51 ASN HD21 3.620 . 3.620 2.522 2.301 2.793 . 0 0 "[ . 1 . 2]" 1
1042 2 50 ARG HB3 2 51 ASN HD22 3.670 . 3.670 2.937 2.572 3.218 . 0 0 "[ . 1 . 2]" 1
1043 2 50 ARG QD 2 51 ASN HD22 5.320 . 5.320 4.202 3.490 5.463 0.143 7 0 "[ . 1 . 2]" 1
1044 2 50 ARG HG3 2 51 ASN HD21 5.390 . 5.390 5.085 3.672 5.624 0.234 15 0 "[ . 1 . 2]" 1
1045 2 50 ARG H 2 51 ASN HB3 5.500 . 5.500 5.587 5.542 5.630 0.130 5 0 "[ . 1 . 2]" 1
1046 2 50 ARG H 2 51 ASN H 3.630 . 3.630 2.196 2.138 2.295 . 0 0 "[ . 1 . 2]" 1
1047 2 51 ASN HB2 2 52 ALA HA 4.650 . 4.650 4.322 4.242 4.385 . 0 0 "[ . 1 . 2]" 1
1048 2 51 ASN HB2 2 52 ALA MB 4.170 . 4.170 4.138 4.064 4.184 0.014 10 0 "[ . 1 . 2]" 1
1049 2 51 ASN HB2 2 52 ALA H 4.420 . 4.420 2.737 2.658 2.776 . 0 0 "[ . 1 . 2]" 1
1050 2 51 ASN HB3 2 52 ALA H 3.650 . 3.650 3.593 3.497 3.661 0.011 20 0 "[ . 1 . 2]" 1
1051 2 51 ASN HD21 2 52 ALA MB 5.500 . 5.500 5.488 5.372 5.547 0.047 10 0 "[ . 1 . 2]" 1
1052 2 51 ASN HD21 2 52 ALA H 4.370 . 4.370 4.132 4.064 4.195 . 0 0 "[ . 1 . 2]" 1
1053 2 51 ASN HD22 2 52 ALA H 5.500 . 5.500 5.649 5.596 5.696 0.196 19 0 "[ . 1 . 2]" 1
1054 2 51 ASN H 2 52 ALA MB 3.660 . 3.660 3.574 3.494 3.659 . 0 0 "[ . 1 . 2]" 1
1055 2 51 ASN H 2 52 ALA H 2.470 . 2.470 1.862 1.807 1.939 . 0 0 "[ . 1 . 2]" 1
1056 2 52 ALA MB 2 53 PRO HD2 3.380 . 3.380 2.856 2.811 2.908 . 0 0 "[ . 1 . 2]" 1
1057 2 52 ALA MB 2 53 PRO HD3 2.960 . 2.960 2.127 2.064 2.203 . 0 0 "[ . 1 . 2]" 1
1058 2 52 ALA H 2 53 PRO HA 5.500 . 5.500 5.526 5.500 5.539 0.039 8 0 "[ . 1 . 2]" 1
1059 2 52 ALA H 2 53 PRO QB 5.500 . 5.500 5.331 5.304 5.352 . 0 0 "[ . 1 . 2]" 1
1060 2 52 ALA H 2 53 PRO HD2 2.500 . 2.500 2.290 2.238 2.332 . 0 0 "[ . 1 . 2]" 1
1061 2 52 ALA H 2 53 PRO HD3 3.120 . 3.120 3.101 3.061 3.142 0.022 11 0 "[ . 1 . 2]" 1
1062 2 52 ALA H 2 53 PRO HG3 4.780 . 4.780 4.820 4.783 4.844 0.064 6 0 "[ . 1 . 2]" 1
1063 2 53 PRO HA 2 54 ASP H 3.510 . 3.510 3.426 3.382 3.460 . 0 0 "[ . 1 . 2]" 1
1064 2 53 PRO QB 2 54 ASP HA 4.910 . 4.910 4.230 4.148 4.320 . 0 0 "[ . 1 . 2]" 1
1065 2 53 PRO QB 2 54 ASP H 3.750 . 3.750 3.569 3.502 3.633 . 0 0 "[ . 1 . 2]" 1
1066 2 53 PRO HD2 2 54 ASP H 3.080 . 3.080 2.981 2.880 3.092 0.012 7 0 "[ . 1 . 2]" 1
1067 2 53 PRO HD3 2 54 ASP H 4.150 . 4.150 4.070 4.004 4.138 . 0 0 "[ . 1 . 2]" 1
1068 2 53 PRO HG2 2 54 ASP H 3.130 . 3.130 3.084 3.013 3.142 0.012 1 0 "[ . 1 . 2]" 1
1069 2 53 PRO HG3 2 54 ASP H 4.450 . 4.450 4.450 4.375 4.493 0.043 7 0 "[ . 1 . 2]" 1
1070 2 54 ASP HA 2 55 ALA MB 4.990 . 4.990 4.912 4.888 4.937 . 0 0 "[ . 1 . 2]" 1
1071 2 54 ASP HA 2 55 ALA H 3.270 . 3.270 3.369 3.320 3.423 0.153 4 0 "[ . 1 . 2]" 1
1072 2 54 ASP HB2 2 55 ALA H 3.850 . 3.850 3.199 2.876 3.419 . 0 0 "[ . 1 . 2]" 1
1073 2 54 ASP H 2 55 ALA HA 4.540 . 4.540 4.563 4.490 4.633 0.093 19 0 "[ . 1 . 2]" 1
1074 2 54 ASP H 2 55 ALA MB 3.580 . 3.580 3.620 3.580 3.642 0.062 11 0 "[ . 1 . 2]" 1
1075 2 54 ASP H 2 55 ALA H 2.410 . 2.410 1.923 1.882 1.972 . 0 0 "[ . 1 . 2]" 1
1076 2 55 ALA HA 2 56 ASP QB 4.140 . 4.140 4.198 4.001 4.269 0.129 17 0 "[ . 1 . 2]" 1
1077 2 55 ALA HA 2 56 ASP H 2.400 . 2.400 2.110 2.068 2.143 . 0 0 "[ . 1 . 2]" 1
1078 2 55 ALA MB 2 56 ASP H 2.730 . 2.730 2.841 2.796 2.874 0.144 1 0 "[ . 1 . 2]" 1
1079 2 55 ALA H 2 56 ASP H 4.690 . 4.690 4.549 4.518 4.572 . 0 0 "[ . 1 . 2]" 1
1080 2 56 ASP HA 2 57 VAL HB 4.910 . 4.910 4.733 4.652 4.805 . 0 0 "[ . 1 . 2]" 1
1081 2 56 ASP HA 2 57 VAL QG 3.600 . 3.600 3.383 3.295 3.444 . 0 0 "[ . 1 . 2]" 1
1082 2 56 ASP HA 2 57 VAL H 2.400 . 2.400 2.188 2.147 2.258 . 0 0 "[ . 1 . 2]" 1
1083 2 56 ASP QB 2 57 VAL H 3.400 . 3.400 2.999 2.683 3.546 0.146 1 0 "[ . 1 . 2]" 1
1084 2 56 ASP H 2 57 VAL H 5.260 . 5.260 4.518 4.495 4.538 . 0 0 "[ . 1 . 2]" 1
1085 2 57 VAL HA 2 58 ILE H 2.400 . 2.400 2.102 2.049 2.183 . 0 0 "[ . 1 . 2]" 1
1086 2 57 VAL QG 2 58 ILE H 2.570 . 2.570 2.560 2.396 2.692 0.122 2 0 "[ . 1 . 2]" 1
1087 2 58 ILE HA 2 59 GLU H 2.550 . 2.550 2.194 2.120 2.276 . 0 0 "[ . 1 . 2]" 1
1088 2 58 ILE HB 2 59 GLU H 3.690 . 3.690 3.754 3.047 3.892 0.202 20 0 "[ . 1 . 2]" 1
1089 2 58 ILE MD 2 59 GLU H 4.850 . 4.850 4.952 4.875 5.004 0.154 5 0 "[ . 1 . 2]" 1
1090 2 58 ILE HG12 2 59 GLU H 4.770 . 4.770 4.603 4.496 5.047 0.277 1 0 "[ . 1 . 2]" 1
1091 2 58 ILE HG13 2 59 GLU H 5.270 . 5.270 5.130 4.874 5.168 . 0 0 "[ . 1 . 2]" 1
1092 2 58 ILE MG 2 59 GLU H 2.680 . 2.680 2.345 2.197 2.724 0.044 1 0 "[ . 1 . 2]" 1
1093 2 59 GLU HA 2 60 ALA H 2.400 . 2.400 2.170 2.126 2.203 . 0 0 "[ . 1 . 2]" 1
1094 2 59 GLU HB3 2 60 ALA H 4.410 . 4.410 3.805 3.594 3.907 . 0 0 "[ . 1 . 2]" 1
1095 2 59 GLU HB2 2 60 ALA H 4.130 . 4.130 4.297 4.200 4.342 0.212 16 0 "[ . 1 . 2]" 1
1096 1 2 ASN HD21 1 4 ALA MB 4.880 . 4.880 2.214 1.904 2.788 . 0 0 "[ . 1 . 2]" 1
1097 1 2 ASN HD22 1 4 ALA MB 4.240 . 4.240 2.854 2.221 3.492 . 0 0 "[ . 1 . 2]" 1
1098 1 2 ASN HD22 1 4 ALA H 3.990 . 3.990 3.385 3.112 3.556 . 0 0 "[ . 1 . 2]" 1
1099 1 2 ASN HD22 1 5 HIS HB3 5.500 . 5.500 5.637 5.504 5.717 0.217 1 0 "[ . 1 . 2]" 1
1100 1 5 HIS HD2 1 7 GLU HG2 3.640 . 3.640 2.476 2.317 2.583 . 0 0 "[ . 1 . 2]" 1
1101 1 7 GLU QB 1 9 PHE QD 4.960 . 4.960 4.288 4.089 4.512 . 0 0 "[ . 1 . 2]" 1
1102 1 9 PHE QD 1 11 ASP HA 4.240 . 4.240 3.967 3.733 4.189 . 0 0 "[ . 1 . 2]" 1
1103 1 9 PHE QE 1 11 ASP HB2 4.930 . 4.930 4.570 4.223 4.968 0.038 4 0 "[ . 1 . 2]" 1
1104 1 10 VAL MG2 1 14 ASP HA 3.570 . 3.570 3.392 3.233 3.471 . 0 0 "[ . 1 . 2]" 1
1105 1 10 VAL MG2 1 14 ASP HB3 4.210 . 4.210 4.338 4.287 4.402 0.192 8 0 "[ . 1 . 2]" 1
1106 1 10 VAL MG2 1 14 ASP H 4.870 . 4.870 4.904 4.828 4.939 0.069 4 0 "[ . 1 . 2]" 1
1107 1 10 VAL MG1 1 12 ALA HA 4.850 . 4.850 4.139 3.993 4.258 . 0 0 "[ . 1 . 2]" 1
1108 1 10 VAL MG1 1 12 ALA H 4.790 . 4.790 4.698 4.614 4.760 . 0 0 "[ . 1 . 2]" 1
1109 1 10 VAL MG1 1 13 ALA HA 5.500 . 5.500 5.379 5.245 5.477 . 0 0 "[ . 1 . 2]" 1
1110 1 10 VAL MG1 1 13 ALA H 4.160 . 4.160 4.243 4.176 4.296 0.136 19 0 "[ . 1 . 2]" 1
1111 1 10 VAL MG1 1 14 ASP HA 2.720 . 2.720 1.966 1.878 2.072 . 0 0 "[ . 1 . 2]" 1
1112 1 10 VAL MG1 1 14 ASP HB2 4.610 . 4.610 4.474 4.383 4.578 . 0 0 "[ . 1 . 2]" 1
1113 1 10 VAL MG1 1 14 ASP HB3 3.940 . 3.940 3.763 3.672 3.928 . 0 0 "[ . 1 . 2]" 1
1114 1 10 VAL MG1 1 14 ASP H 2.960 . 2.960 2.865 2.779 2.916 . 0 0 "[ . 1 . 2]" 1
1115 1 11 ASP HA 1 15 LYS QG 5.500 . 5.500 5.172 5.086 5.226 . 0 0 "[ . 1 . 2]" 1
1116 1 11 ASP HB2 1 13 ALA H 4.050 . 4.050 3.951 3.816 4.104 0.054 6 0 "[ . 1 . 2]" 1
1117 1 11 ASP HB2 1 15 LYS HB3 3.940 . 3.940 4.018 3.822 4.091 0.151 18 0 "[ . 1 . 2]" 1
1118 1 11 ASP HB2 1 15 LYS H 3.780 . 3.780 3.359 3.168 3.535 . 0 0 "[ . 1 . 2]" 1
1119 1 11 ASP HB3 1 13 ALA H 3.410 . 3.410 2.271 2.208 2.392 . 0 0 "[ . 1 . 2]" 1
1120 1 11 ASP HB3 1 14 ASP H 4.090 . 4.090 3.444 3.124 3.946 . 0 0 "[ . 1 . 2]" 1
1121 1 11 ASP HB3 1 15 LYS HB2 3.980 . 3.980 2.373 2.224 2.480 . 0 0 "[ . 1 . 2]" 1
1122 1 11 ASP HB3 1 15 LYS H 3.960 . 3.960 2.340 2.082 2.516 . 0 0 "[ . 1 . 2]" 1
1123 1 11 ASP H 1 13 ALA H 4.360 . 4.360 4.280 4.210 4.353 . 0 0 "[ . 1 . 2]" 1
1124 1 11 ASP H 1 14 ASP HA 4.370 . 4.370 4.060 3.804 4.197 . 0 0 "[ . 1 . 2]" 1
1125 1 11 ASP H 1 14 ASP H 4.290 . 4.290 3.999 3.916 4.176 . 0 0 "[ . 1 . 2]" 1
1126 1 11 ASP H 1 15 LYS HB2 3.690 . 3.690 3.171 3.075 3.295 . 0 0 "[ . 1 . 2]" 1
1127 1 11 ASP H 1 15 LYS QG 4.360 . 4.360 4.035 3.981 4.183 . 0 0 "[ . 1 . 2]" 1
1128 1 11 ASP H 1 15 LYS H 2.810 . 2.810 2.391 2.307 2.516 . 0 0 "[ . 1 . 2]" 1
1129 1 12 ALA MB 1 14 ASP H 4.720 . 4.720 4.489 4.406 4.680 . 0 0 "[ . 1 . 2]" 1
1130 1 13 ALA HA 1 15 LYS QG 4.390 . 4.390 4.090 4.026 4.284 . 0 0 "[ . 1 . 2]" 1
1131 1 13 ALA MB 1 15 LYS QE 3.530 . 3.530 1.918 1.823 2.049 . 0 0 "[ . 1 . 2]" 1
1132 1 13 ALA MB 1 15 LYS H 4.110 . 4.110 3.769 3.683 3.854 . 0 0 "[ . 1 . 2]" 1
1133 1 13 ALA H 1 15 LYS HB2 4.420 . 4.420 4.295 4.165 4.428 0.008 19 0 "[ . 1 . 2]" 1
1134 1 13 ALA H 1 15 LYS QE 4.300 . 4.300 4.292 4.147 4.441 0.141 3 0 "[ . 1 . 2]" 1
1135 1 15 LYS HB2 1 17 ARG QD 4.130 . 4.130 3.307 2.784 3.719 . 0 0 "[ . 1 . 2]" 1
1136 1 15 LYS HB2 1 17 ARG QG 3.330 . 3.330 2.904 2.701 3.086 . 0 0 "[ . 1 . 2]" 1
1137 1 20 LEU MD1 1 22 HIS HA 5.050 . 5.050 4.981 4.833 5.066 0.016 14 0 "[ . 1 . 2]" 1
1138 1 20 LEU MD1 1 22 HIS H 5.500 . 5.500 5.492 5.370 5.542 0.042 14 0 "[ . 1 . 2]" 1
1139 1 21 VAL HB 1 25 GLY H 5.500 . 5.500 5.521 5.467 5.599 0.099 10 0 "[ . 1 . 2]" 1
1140 1 21 VAL QG 1 25 GLY HA2 3.450 . 3.450 2.052 1.910 2.131 . 0 0 "[ . 1 . 2]" 1
1141 1 21 VAL QG 1 25 GLY HA3 3.760 . 3.760 3.372 3.246 3.454 . 0 0 "[ . 1 . 2]" 1
1142 1 22 HIS HA 1 24 ASN H 4.750 . 4.750 4.275 4.032 4.517 . 0 0 "[ . 1 . 2]" 1
1143 1 22 HIS HB3 1 25 GLY H 3.220 . 3.220 2.824 2.711 2.958 . 0 0 "[ . 1 . 2]" 1
1144 1 22 HIS HB3 1 26 ASN H 3.780 . 3.780 3.145 3.037 3.269 . 0 0 "[ . 1 . 2]" 1
1145 1 22 HIS HB2 1 25 GLY H 4.590 . 4.590 4.133 4.061 4.192 . 0 0 "[ . 1 . 2]" 1
1146 1 22 HIS HB2 1 26 ASN HB2 4.520 . 4.520 4.817 4.711 4.890 0.370 1 0 "[ . 1 . 2]" 1
1147 1 22 HIS HB2 1 26 ASN HD22 4.120 . 4.120 1.730 1.640 1.968 0.060 1 0 "[ . 1 . 2]" 1
1148 1 22 HIS HB2 1 26 ASN HD21 4.190 . 4.190 2.345 2.281 2.431 . 0 0 "[ . 1 . 2]" 1
1149 1 22 HIS HB2 1 26 ASN H 3.750 . 3.750 3.817 3.763 3.862 0.112 12 0 "[ . 1 . 2]" 1
1150 1 22 HIS H 1 25 GLY HA2 5.110 . 5.110 4.285 3.973 4.414 . 0 0 "[ . 1 . 2]" 1
1151 1 22 HIS H 1 25 GLY H 3.600 . 3.600 3.570 3.531 3.618 0.018 4 0 "[ . 1 . 2]" 1
1152 1 22 HIS H 1 26 ASN H 3.180 . 3.180 3.223 3.184 3.252 0.072 2 0 "[ . 1 . 2]" 1
1153 1 23 ASP H 1 26 ASN HD22 4.640 . 4.640 4.735 4.694 4.781 0.141 17 0 "[ . 1 . 2]" 1
1154 1 24 ASN HB3 1 26 ASN H 5.140 . 5.140 4.277 4.095 4.468 . 0 0 "[ . 1 . 2]" 1
1155 1 24 ASN HB2 1 26 ASN HD22 4.050 . 4.050 3.293 3.063 3.565 . 0 0 "[ . 1 . 2]" 1
1156 1 24 ASN HB2 1 26 ASN HD21 4.560 . 4.560 4.085 3.836 4.587 0.027 17 0 "[ . 1 . 2]" 1
1157 1 24 ASN HB2 1 26 ASN H 4.350 . 4.350 2.627 2.497 2.795 . 0 0 "[ . 1 . 2]" 1
1158 1 24 ASN HD22 1 26 ASN HD22 3.520 . 3.520 3.413 3.145 3.559 0.039 14 0 "[ . 1 . 2]" 1
1159 1 24 ASN HD22 1 28 LEU MD2 5.050 . 5.050 4.742 4.442 5.065 0.015 10 0 "[ . 1 . 2]" 1
1160 1 24 ASN HD21 1 26 ASN HD22 3.920 . 3.920 2.606 2.373 2.842 . 0 0 "[ . 1 . 2]" 1
1161 1 24 ASN HD21 1 26 ASN H 4.220 . 4.220 3.816 3.757 3.918 . 0 0 "[ . 1 . 2]" 1
1162 1 24 ASN HD21 1 28 LEU MD2 4.710 . 4.710 4.474 4.201 4.729 0.019 10 0 "[ . 1 . 2]" 1
1163 1 24 ASN H 1 26 ASN HD22 4.340 . 4.340 3.814 3.644 3.966 . 0 0 "[ . 1 . 2]" 1
1164 1 26 ASN HB2 1 28 LEU MD2 3.590 . 3.590 3.647 3.607 3.686 0.096 18 0 "[ . 1 . 2]" 1
1165 1 26 ASN HB2 1 28 LEU HG 5.500 . 5.500 4.618 4.462 4.705 . 0 0 "[ . 1 . 2]" 1
1166 1 26 ASN HD22 1 28 LEU MD2 3.360 . 3.360 2.511 2.356 2.631 . 0 0 "[ . 1 . 2]" 1
1167 1 26 ASN HD22 1 28 LEU HG 5.430 . 5.430 3.889 3.674 4.030 . 0 0 "[ . 1 . 2]" 1
1168 1 26 ASN HD21 1 28 LEU MD2 3.390 . 3.390 2.593 2.147 2.707 . 0 0 "[ . 1 . 2]" 1
1169 1 26 ASN HD21 1 28 LEU HG 4.520 . 4.520 2.897 2.691 3.010 . 0 0 "[ . 1 . 2]" 1
1170 1 27 ILE HA 1 29 ALA H 4.100 . 4.100 3.874 3.777 3.920 . 0 0 "[ . 1 . 2]" 1
1171 1 27 ILE HB 1 29 ALA H 5.500 . 5.500 5.271 5.119 5.372 . 0 0 "[ . 1 . 2]" 1
1172 1 27 ILE MG 1 29 ALA HA 3.980 . 3.980 3.518 3.373 3.611 . 0 0 "[ . 1 . 2]" 1
1173 1 27 ILE MG 1 29 ALA H 3.000 . 3.000 2.943 2.783 3.042 0.042 8 0 "[ . 1 . 2]" 1
1174 1 27 ILE MG 1 30 ASP HA 4.730 . 4.730 4.049 3.872 4.227 . 0 0 "[ . 1 . 2]" 1
1175 1 27 ILE MG 1 30 ASP HB2 4.730 . 4.730 3.079 2.837 3.292 . 0 0 "[ . 1 . 2]" 1
1176 1 29 ALA MB 1 31 SER H 5.500 . 5.500 5.290 5.217 5.356 . 0 0 "[ . 1 . 2]" 1
1177 1 30 ASP HB3 1 32 GLY H 4.560 . 4.560 3.444 3.179 3.742 . 0 0 "[ . 1 . 2]" 1
1178 1 30 ASP HB2 1 32 GLY H 4.990 . 4.990 4.485 4.310 4.725 . 0 0 "[ . 1 . 2]" 1
1179 1 31 SER HA 1 33 GLU HB2 5.500 . 5.500 5.490 4.955 5.694 0.194 13 0 "[ . 1 . 2]" 1
1180 1 31 SER QB 1 33 GLU HB2 5.080 . 5.080 3.728 2.849 4.098 . 0 0 "[ . 1 . 2]" 1
1181 1 31 SER QB 1 33 GLU H 3.470 . 3.470 2.914 2.619 3.072 . 0 0 "[ . 1 . 2]" 1
1182 1 33 GLU HA 1 35 TYR QE 4.880 . 4.880 4.697 4.083 5.011 0.131 6 0 "[ . 1 . 2]" 1
1183 1 33 GLU HB2 1 35 TYR QE 4.540 . 4.540 2.663 2.294 3.359 . 0 0 "[ . 1 . 2]" 1
1184 1 33 GLU HB3 1 35 TYR QE 4.650 . 4.650 2.515 1.973 3.174 . 0 0 "[ . 1 . 2]" 1
1185 1 33 GLU HG3 1 35 TYR QE 4.820 . 4.820 3.692 2.810 4.666 . 0 0 "[ . 1 . 2]" 1
1186 1 33 GLU HG2 1 35 TYR QE 4.750 . 4.750 4.243 3.048 4.966 0.216 13 0 "[ . 1 . 2]" 1
1187 1 35 TYR HB2 1 37 SER H 3.100 . 3.100 2.932 2.640 3.043 . 0 0 "[ . 1 . 2]" 1
1188 1 35 TYR H 1 37 SER H 4.530 . 4.530 4.484 4.341 4.646 0.116 6 0 "[ . 1 . 2]" 1
1189 1 37 SER HB3 1 39 GLN H 5.240 . 5.240 3.264 2.842 4.763 . 0 0 "[ . 1 . 2]" 1
1190 1 37 SER HB3 1 40 LYS QB 4.240 . 4.240 3.719 3.468 3.940 . 0 0 "[ . 1 . 2]" 1
1191 1 37 SER HB3 1 40 LYS H 4.630 . 4.630 3.306 2.934 4.382 . 0 0 "[ . 1 . 2]" 1
1192 1 37 SER HB2 1 39 GLN H 3.590 . 3.590 3.604 3.042 3.726 0.136 20 0 "[ . 1 . 2]" 1
1193 1 37 SER HB2 1 40 LYS QB 4.170 . 4.170 2.417 2.082 3.128 . 0 0 "[ . 1 . 2]" 1
1194 1 37 SER HB2 1 40 LYS HG2 5.270 . 5.270 4.417 3.930 5.329 0.059 3 0 "[ . 1 . 2]" 1
1195 1 37 SER HB2 1 40 LYS H 3.540 . 3.540 2.472 2.337 2.751 . 0 0 "[ . 1 . 2]" 1
1196 1 38 LYS HA 1 40 LYS H 4.800 . 4.800 4.319 4.192 4.442 . 0 0 "[ . 1 . 2]" 1
1197 1 38 LYS HA 1 41 ALA MB 3.100 . 3.100 2.887 2.663 3.090 . 0 0 "[ . 1 . 2]" 1
1198 1 38 LYS HA 1 41 ALA H 3.740 . 3.740 3.435 3.333 3.572 . 0 0 "[ . 1 . 2]" 1
1199 1 38 LYS HA 1 42 LYS H 4.680 . 4.680 4.391 4.189 4.535 . 0 0 "[ . 1 . 2]" 1
1200 1 38 LYS HG3 1 42 LYS HE2 4.010 . 4.010 3.508 3.021 4.646 0.636 19 1 "[ . 1 . +2]" 1
1201 1 38 LYS H 1 40 LYS H 4.310 . 4.310 4.194 4.107 4.304 . 0 0 "[ . 1 . 2]" 1
1202 1 39 GLN HA 1 41 ALA H 4.680 . 4.680 4.430 4.368 4.547 . 0 0 "[ . 1 . 2]" 1
1203 1 39 GLN HA 1 42 LYS HB2 3.720 . 3.720 2.949 2.734 3.133 . 0 0 "[ . 1 . 2]" 1
1204 1 39 GLN HA 1 42 LYS HG3 3.310 . 3.310 3.183 2.529 3.363 0.053 1 0 "[ . 1 . 2]" 1
1205 1 39 GLN HA 1 42 LYS H 4.200 . 4.200 3.535 3.413 3.632 . 0 0 "[ . 1 . 2]" 1
1206 1 39 GLN HA 1 43 GLN H 4.730 . 4.730 4.087 3.875 4.426 . 0 0 "[ . 1 . 2]" 1
1207 1 39 GLN HB3 1 41 ALA H 5.390 . 5.390 5.054 4.952 5.158 . 0 0 "[ . 1 . 2]" 1
1208 1 39 GLN HB3 1 43 GLN HE21 4.940 . 4.940 5.031 4.996 5.069 0.129 15 0 "[ . 1 . 2]" 1
1209 1 39 GLN QG 1 41 ALA H 5.370 . 5.370 5.229 5.145 5.297 . 0 0 "[ . 1 . 2]" 1
1210 1 39 GLN QG 1 43 GLN HE21 3.300 . 3.300 2.687 2.585 2.767 . 0 0 "[ . 1 . 2]" 1
1211 1 39 GLN QG 1 43 GLN HE22 3.450 . 3.450 3.392 3.230 3.476 0.026 20 0 "[ . 1 . 2]" 1
1212 1 39 GLN QG 1 43 GLN HG2 3.130 . 3.130 2.289 2.100 2.958 . 0 0 "[ . 1 . 2]" 1
1213 1 39 GLN QG 1 43 GLN H 4.240 . 4.240 3.931 3.764 4.197 . 0 0 "[ . 1 . 2]" 1
1214 1 39 GLN H 1 41 ALA H 4.540 . 4.540 4.204 4.082 4.305 . 0 0 "[ . 1 . 2]" 1
1215 1 40 LYS HA 1 43 GLN QB 3.330 . 3.330 2.529 2.254 2.935 . 0 0 "[ . 1 . 2]" 1
1216 1 40 LYS HA 1 43 GLN HE21 5.250 . 5.250 4.528 4.096 4.837 . 0 0 "[ . 1 . 2]" 1
1217 1 40 LYS HA 1 43 GLN HG2 3.770 . 3.770 2.614 2.177 2.962 . 0 0 "[ . 1 . 2]" 1
1218 1 40 LYS H 1 42 LYS H 5.040 . 5.040 4.314 4.093 4.421 . 0 0 "[ . 1 . 2]" 1
1219 1 41 ALA HA 1 43 GLN H 5.040 . 5.040 4.423 4.220 4.519 . 0 0 "[ . 1 . 2]" 1
1220 1 41 ALA HA 1 44 GLY QA 4.120 . 4.120 3.869 3.775 3.966 . 0 0 "[ . 1 . 2]" 1
1221 1 41 ALA HA 1 44 GLY H 3.780 . 3.780 3.478 3.361 3.576 . 0 0 "[ . 1 . 2]" 1
1222 1 41 ALA HA 1 45 ILE MD 5.220 . 5.220 4.910 4.760 5.049 . 0 0 "[ . 1 . 2]" 1
1223 1 41 ALA MB 1 44 GLY QA 5.170 . 5.170 4.900 4.792 5.002 . 0 0 "[ . 1 . 2]" 1
1224 1 41 ALA MB 1 44 GLY H 5.300 . 5.300 4.453 4.393 4.513 . 0 0 "[ . 1 . 2]" 1
1225 1 41 ALA MB 1 45 ILE MD 3.990 . 3.990 3.732 3.619 3.855 . 0 0 "[ . 1 . 2]" 1
1226 1 41 ALA H 1 43 GLN QB 5.110 . 5.110 5.025 4.863 5.138 0.028 14 0 "[ . 1 . 2]" 1
1227 1 41 ALA H 1 43 GLN H 4.470 . 4.470 4.042 3.953 4.121 . 0 0 "[ . 1 . 2]" 1
1228 1 42 LYS HA 1 44 GLY H 4.060 . 4.060 3.867 3.758 3.982 . 0 0 "[ . 1 . 2]" 1
1229 1 42 LYS HA 1 45 ILE HB 3.670 . 3.670 2.989 2.846 3.128 . 0 0 "[ . 1 . 2]" 1
1230 1 42 LYS HA 1 45 ILE MD 2.970 . 2.970 1.851 1.803 1.904 . 0 0 "[ . 1 . 2]" 1
1231 1 42 LYS HA 1 45 ILE QG 4.190 . 4.190 3.127 2.868 3.283 . 0 0 "[ . 1 . 2]" 1
1232 1 42 LYS HA 1 45 ILE MG 4.850 . 4.850 4.253 4.129 4.402 . 0 0 "[ . 1 . 2]" 1
1233 1 42 LYS HA 1 45 ILE H 3.530 . 3.530 3.238 3.099 3.331 . 0 0 "[ . 1 . 2]" 1
1234 1 42 LYS HA 1 46 GLU H 4.810 . 4.810 4.319 4.043 4.515 . 0 0 "[ . 1 . 2]" 1
1235 1 42 LYS HB2 1 45 ILE MD 4.910 . 4.910 4.470 4.343 4.584 . 0 0 "[ . 1 . 2]" 1
1236 1 42 LYS HB3 1 45 ILE MD 4.870 . 4.870 3.509 3.314 3.631 . 0 0 "[ . 1 . 2]" 1
1237 1 42 LYS HG3 1 45 ILE MD 5.320 . 5.320 4.336 4.165 4.645 . 0 0 "[ . 1 . 2]" 1
1238 1 42 LYS H 1 44 GLY H 5.250 . 5.250 3.982 3.906 4.054 . 0 0 "[ . 1 . 2]" 1
1239 1 42 LYS H 1 45 ILE MD 4.240 . 4.240 4.139 4.055 4.227 . 0 0 "[ . 1 . 2]" 1
1240 1 43 GLN HA 1 46 GLU HG3 3.830 . 3.830 3.092 2.528 3.890 0.060 2 0 "[ . 1 . 2]" 1
1241 1 43 GLN HA 1 46 GLU HG2 4.110 . 4.110 4.106 3.620 4.333 0.223 19 0 "[ . 1 . 2]" 1
1242 1 43 GLN HA 1 46 GLU H 3.920 . 3.920 3.233 3.072 3.485 . 0 0 "[ . 1 . 2]" 1
1243 1 43 GLN QB 1 45 ILE H 4.990 . 4.990 4.834 4.782 4.914 . 0 0 "[ . 1 . 2]" 1
1244 1 43 GLN QB 1 46 GLU H 4.890 . 4.890 4.755 4.616 4.943 0.053 1 0 "[ . 1 . 2]" 1
1245 1 44 GLY QA 1 47 SER H 4.400 . 4.400 3.324 3.227 3.447 . 0 0 "[ . 1 . 2]" 1
1246 1 44 GLY H 1 47 SER H 4.660 . 4.660 4.557 4.461 4.621 . 0 0 "[ . 1 . 2]" 1
1247 1 45 ILE HA 1 48 VAL MG1 3.770 . 3.770 2.453 2.269 2.653 . 0 0 "[ . 1 . 2]" 1
1248 1 45 ILE HA 1 48 VAL H 4.020 . 4.020 3.358 3.243 3.512 . 0 0 "[ . 1 . 2]" 1
1249 1 45 ILE HA 1 49 LYS H 4.580 . 4.580 4.170 4.019 4.446 . 0 0 "[ . 1 . 2]" 1
1250 1 45 ILE HB 1 49 LYS QD 4.390 . 4.390 4.332 4.127 4.465 0.075 19 0 "[ . 1 . 2]" 1
1251 1 45 ILE QG 1 49 LYS QD 4.920 . 4.920 4.885 4.690 4.986 0.066 16 0 "[ . 1 . 2]" 1
1252 1 45 ILE MG 1 48 VAL HB 5.240 . 5.240 4.791 4.547 5.119 . 0 0 "[ . 1 . 2]" 1
1253 1 45 ILE MG 1 48 VAL MG2 5.500 . 5.500 5.124 4.899 5.375 . 0 0 "[ . 1 . 2]" 1
1254 1 45 ILE MG 1 48 VAL MG1 4.660 . 4.660 2.943 2.756 3.177 . 0 0 "[ . 1 . 2]" 1
1255 1 45 ILE MG 1 49 LYS HA 5.450 . 5.450 5.361 5.193 5.474 0.024 3 0 "[ . 1 . 2]" 1
1256 1 45 ILE MG 1 49 LYS HB3 5.050 . 5.050 5.008 4.879 5.098 0.048 1 0 "[ . 1 . 2]" 1
1257 1 45 ILE MG 1 49 LYS HB2 5.160 . 5.160 4.195 4.028 4.339 . 0 0 "[ . 1 . 2]" 1
1258 1 45 ILE MG 1 49 LYS QG 2.920 . 2.920 2.860 2.668 3.029 0.109 8 0 "[ . 1 . 2]" 1
1259 1 45 ILE MG 1 49 LYS H 4.530 . 4.530 4.085 3.905 4.348 . 0 0 "[ . 1 . 2]" 1
1260 1 45 ILE H 1 48 VAL H 5.050 . 5.050 4.629 4.534 4.734 . 0 0 "[ . 1 . 2]" 1
1261 1 46 GLU HA 1 48 VAL H 4.020 . 4.020 4.140 4.117 4.161 0.141 8 0 "[ . 1 . 2]" 1
1262 1 46 GLU HA 1 49 LYS HB2 3.850 . 3.850 2.810 2.431 3.072 . 0 0 "[ . 1 . 2]" 1
1263 1 46 GLU HA 1 49 LYS QE 4.730 . 4.730 4.291 3.579 4.765 0.035 17 0 "[ . 1 . 2]" 1
1264 1 46 GLU HA 1 49 LYS H 3.360 . 3.360 3.432 3.292 3.524 0.164 19 0 "[ . 1 . 2]" 1
1265 1 47 SER HA 1 49 LYS H 4.930 . 4.930 4.486 4.225 4.603 . 0 0 "[ . 1 . 2]" 1
1266 1 47 SER HA 1 51 ASN HD21 3.680 . 3.680 3.341 3.010 3.592 . 0 0 "[ . 1 . 2]" 1
1267 1 47 SER HA 1 51 ASN HD22 3.960 . 3.960 3.844 3.494 4.018 0.058 3 0 "[ . 1 . 2]" 1
1268 1 47 SER HB2 1 49 LYS H 5.420 . 5.420 5.139 4.957 5.232 . 0 0 "[ . 1 . 2]" 1
1269 1 47 SER H 1 49 LYS H 4.250 . 4.250 4.198 4.004 4.289 0.039 4 0 "[ . 1 . 2]" 1
1270 1 48 VAL HA 1 51 ASN HD21 4.340 . 4.340 3.652 3.383 3.835 . 0 0 "[ . 1 . 2]" 1
1271 1 48 VAL HA 1 51 ASN HD22 5.420 . 5.420 5.251 4.980 5.440 0.020 14 0 "[ . 1 . 2]" 1
1272 1 48 VAL HA 1 51 ASN H 4.500 . 4.500 3.447 3.329 3.539 . 0 0 "[ . 1 . 2]" 1
1273 1 48 VAL HA 1 52 ALA MB 3.890 . 3.890 3.415 3.208 3.571 . 0 0 "[ . 1 . 2]" 1
1274 1 48 VAL HA 1 52 ALA H 3.950 . 3.950 3.191 3.065 3.346 . 0 0 "[ . 1 . 2]" 1
1275 1 48 VAL HB 1 52 ALA MB 4.400 . 4.400 4.380 4.296 4.417 0.017 18 0 "[ . 1 . 2]" 1
1276 1 48 VAL MG2 1 51 ASN HD21 5.280 . 5.280 5.145 4.881 5.323 0.043 14 0 "[ . 1 . 2]" 1
1277 1 48 VAL MG1 1 50 ARG H 4.110 . 4.110 4.128 4.078 4.213 0.103 8 0 "[ . 1 . 2]" 1
1278 1 48 VAL MG1 1 52 ALA MB 2.820 . 2.820 2.931 2.875 3.003 0.183 4 0 "[ . 1 . 2]" 1
1279 1 48 VAL MG1 1 52 ALA H 4.360 . 4.360 4.197 4.097 4.287 . 0 0 "[ . 1 . 2]" 1
1280 1 49 LYS HA 1 52 ALA MB 3.180 . 3.180 3.125 3.007 3.201 0.021 5 0 "[ . 1 . 2]" 1
1281 1 49 LYS HA 1 52 ALA H 4.550 . 4.550 3.886 3.775 3.972 . 0 0 "[ . 1 . 2]" 1
1282 1 49 LYS HA 1 53 PRO HG3 4.080 . 4.080 3.775 3.635 4.047 . 0 0 "[ . 1 . 2]" 1
1283 1 49 LYS QG 1 53 PRO HD3 4.420 . 4.420 4.560 4.500 4.664 0.244 8 0 "[ . 1 . 2]" 1
1284 1 49 LYS H 1 51 ASN H 4.270 . 4.270 4.122 3.996 4.192 . 0 0 "[ . 1 . 2]" 1
1285 1 49 LYS H 1 52 ALA H 4.880 . 4.880 4.681 4.645 4.736 . 0 0 "[ . 1 . 2]" 1
1286 1 50 ARG H 1 52 ALA MB 5.500 . 5.500 4.564 4.504 4.655 . 0 0 "[ . 1 . 2]" 1
1287 1 50 ARG H 1 52 ALA H 3.850 . 3.850 3.672 3.621 3.755 . 0 0 "[ . 1 . 2]" 1
1288 1 50 ARG H 1 53 PRO HD2 5.020 . 5.020 4.135 4.044 4.298 . 0 0 "[ . 1 . 2]" 1
1289 1 50 ARG H 1 53 PRO HD3 4.610 . 4.610 4.685 4.659 4.741 0.131 2 0 "[ . 1 . 2]" 1
1290 1 51 ASN HA 1 53 PRO HD2 4.530 . 4.530 3.640 3.549 3.703 . 0 0 "[ . 1 . 2]" 1
1291 1 51 ASN HA 1 53 PRO HD3 5.430 . 5.430 5.375 5.263 5.441 0.011 13 0 "[ . 1 . 2]" 1
1292 1 51 ASN H 1 53 PRO HD3 3.810 . 3.810 3.672 3.602 3.821 0.011 8 0 "[ . 1 . 2]" 1
1293 1 52 ALA HA 1 55 ALA MB 3.030 . 3.030 2.461 2.366 2.622 . 0 0 "[ . 1 . 2]" 1
1294 1 52 ALA HA 1 55 ALA H 3.610 . 3.610 3.358 3.255 3.519 . 0 0 "[ . 1 . 2]" 1
1295 1 52 ALA MB 1 54 ASP H 4.840 . 4.840 4.218 4.179 4.266 . 0 0 "[ . 1 . 2]" 1
1296 1 52 ALA H 1 54 ASP H 3.990 . 3.990 4.118 4.080 4.170 0.180 3 0 "[ . 1 . 2]" 1
1297 1 52 ALA H 1 55 ALA H 4.830 . 4.830 4.635 4.555 4.711 . 0 0 "[ . 1 . 2]" 1
1298 1 53 PRO HA 1 55 ALA H 4.750 . 4.750 4.469 4.327 4.609 . 0 0 "[ . 1 . 2]" 1
1299 1 56 ASP QB 1 58 ILE H 5.420 . 5.420 5.199 5.088 5.474 0.054 9 0 "[ . 1 . 2]" 1
1300 1 58 ILE HB 1 60 ALA HA 4.770 . 4.770 4.808 4.603 4.915 0.145 1 0 "[ . 1 . 2]" 1
1301 1 58 ILE HB 1 60 ALA H 4.980 . 4.980 4.699 4.490 4.991 0.011 12 0 "[ . 1 . 2]" 1
1302 2 2 ASN HD21 2 4 ALA MB 4.880 . 4.880 2.210 1.957 2.434 . 0 0 "[ . 1 . 2]" 1
1303 2 2 ASN HD22 2 4 ALA MB 4.240 . 4.240 2.911 2.413 3.161 . 0 0 "[ . 1 . 2]" 1
1304 2 2 ASN HD22 2 4 ALA H 3.990 . 3.990 3.369 3.091 3.539 . 0 0 "[ . 1 . 2]" 1
1305 2 2 ASN HD22 2 5 HIS HB3 5.500 . 5.500 5.640 5.554 5.679 0.179 2 0 "[ . 1 . 2]" 1
1306 2 5 HIS HD2 2 7 GLU HG2 3.640 . 3.640 2.477 2.347 2.594 . 0 0 "[ . 1 . 2]" 1
1307 2 7 GLU QB 2 9 PHE QD 4.960 . 4.960 4.311 4.156 4.441 . 0 0 "[ . 1 . 2]" 1
1308 2 9 PHE QD 2 11 ASP HA 4.240 . 4.240 4.049 3.870 4.239 . 0 0 "[ . 1 . 2]" 1
1309 2 9 PHE QE 2 11 ASP HB2 4.930 . 4.930 4.635 4.266 4.864 . 0 0 "[ . 1 . 2]" 1
1310 2 10 VAL MG2 2 14 ASP HA 3.570 . 3.570 3.312 2.683 3.437 . 0 0 "[ . 1 . 2]" 1
1311 2 10 VAL MG2 2 14 ASP QB 4.210 . 4.210 4.157 4.075 4.210 . 0 0 "[ . 1 . 2]" 1
1312 2 10 VAL MG2 2 14 ASP H 4.870 . 4.870 4.867 4.402 4.956 0.086 12 0 "[ . 1 . 2]" 1
1313 2 10 VAL MG1 2 12 ALA HA 4.850 . 4.850 4.125 4.054 4.243 . 0 0 "[ . 1 . 2]" 1
1314 2 10 VAL MG1 2 12 ALA H 4.790 . 4.790 4.674 4.620 4.727 . 0 0 "[ . 1 . 2]" 1
1315 2 10 VAL MG1 2 13 ALA HA 5.500 . 5.500 5.391 5.275 5.491 . 0 0 "[ . 1 . 2]" 1
1316 2 10 VAL MG1 2 13 ALA H 4.160 . 4.160 4.265 4.184 4.322 0.162 4 0 "[ . 1 . 2]" 1
1317 2 10 VAL MG1 2 14 ASP HA 2.720 . 2.720 1.941 1.817 2.031 . 0 0 "[ . 1 . 2]" 1
1318 2 10 VAL MG1 2 14 ASP QB . . 3.940 3.558 3.441 3.667 . 0 0 "[ . 1 . 2]" 1
1319 2 10 VAL MG1 2 14 ASP H 2.960 . 2.960 2.867 2.673 2.933 . 0 0 "[ . 1 . 2]" 1
1320 2 11 ASP HA 2 15 LYS QG 5.500 . 5.500 5.174 5.121 5.237 . 0 0 "[ . 1 . 2]" 1
1321 2 11 ASP HB2 2 13 ALA H 4.050 . 4.050 3.945 3.852 4.049 . 0 0 "[ . 1 . 2]" 1
1322 2 11 ASP HB2 2 15 LYS HB3 3.940 . 3.940 4.010 3.914 4.068 0.128 16 0 "[ . 1 . 2]" 1
1323 2 11 ASP HB2 2 15 LYS H 3.780 . 3.780 3.351 3.245 3.511 . 0 0 "[ . 1 . 2]" 1
1324 2 11 ASP HB3 2 13 ALA H 3.410 . 3.410 2.281 2.196 2.375 . 0 0 "[ . 1 . 2]" 1
1325 2 11 ASP HB3 2 14 ASP H 4.090 . 4.090 3.409 3.196 3.633 . 0 0 "[ . 1 . 2]" 1
1326 2 11 ASP HB3 2 15 LYS HB2 3.980 . 3.980 2.369 2.247 2.471 . 0 0 "[ . 1 . 2]" 1
1327 2 11 ASP HB3 2 15 LYS H 3.960 . 3.960 2.295 2.209 2.442 . 0 0 "[ . 1 . 2]" 1
1328 2 11 ASP H 2 13 ALA H 4.360 . 4.360 4.303 4.156 4.383 0.023 12 0 "[ . 1 . 2]" 1
1329 2 11 ASP H 2 14 ASP HA 4.370 . 4.370 3.967 3.758 4.162 . 0 0 "[ . 1 . 2]" 1
1330 2 11 ASP H 2 14 ASP H 4.290 . 4.290 3.985 3.789 4.158 . 0 0 "[ . 1 . 2]" 1
1331 2 11 ASP H 2 15 LYS HB2 3.690 . 3.690 3.159 3.034 3.252 . 0 0 "[ . 1 . 2]" 1
1332 2 11 ASP H 2 15 LYS QG 4.360 . 4.360 4.053 3.944 4.178 . 0 0 "[ . 1 . 2]" 1
1333 2 11 ASP H 2 15 LYS H 2.810 . 2.810 2.363 2.204 2.478 . 0 0 "[ . 1 . 2]" 1
1334 2 12 ALA MB 2 14 ASP H 4.720 . 4.720 4.458 4.366 4.547 . 0 0 "[ . 1 . 2]" 1
1335 2 13 ALA HA 2 15 LYS QG 4.390 . 4.390 4.136 4.007 4.349 . 0 0 "[ . 1 . 2]" 1
1336 2 13 ALA MB 2 15 LYS QE 3.530 . 3.530 1.936 1.851 2.046 . 0 0 "[ . 1 . 2]" 1
1337 2 13 ALA MB 2 15 LYS H 4.110 . 4.110 3.768 3.679 3.837 . 0 0 "[ . 1 . 2]" 1
1338 2 13 ALA H 2 15 LYS HB2 4.420 . 4.420 4.327 4.218 4.438 0.018 3 0 "[ . 1 . 2]" 1
1339 2 13 ALA H 2 15 LYS QE 4.300 . 4.300 4.321 4.218 4.455 0.155 17 0 "[ . 1 . 2]" 1
1340 2 15 LYS HB2 2 17 ARG QD 4.130 . 4.130 3.227 2.714 3.606 . 0 0 "[ . 1 . 2]" 1
1341 2 15 LYS HB2 2 17 ARG QG 3.330 . 3.330 2.848 2.700 3.057 . 0 0 "[ . 1 . 2]" 1
1342 2 20 LEU MD1 2 22 HIS HA 5.050 . 5.050 5.008 4.943 5.070 0.020 17 0 "[ . 1 . 2]" 1
1343 2 20 LEU MD1 2 22 HIS H 5.500 . 5.500 5.509 5.454 5.557 0.057 14 0 "[ . 1 . 2]" 1
1344 2 21 VAL HB 2 25 GLY H 5.500 . 5.500 5.531 5.476 5.582 0.082 20 0 "[ . 1 . 2]" 1
1345 2 21 VAL QG 2 25 GLY HA2 3.450 . 3.450 2.045 1.944 2.182 . 0 0 "[ . 1 . 2]" 1
1346 2 21 VAL QG 2 25 GLY HA3 3.760 . 3.760 3.366 3.262 3.492 . 0 0 "[ . 1 . 2]" 1
1347 2 22 HIS HA 2 24 ASN H 4.750 . 4.750 4.306 4.078 4.493 . 0 0 "[ . 1 . 2]" 1
1348 2 22 HIS HB3 2 25 GLY H 3.220 . 3.220 2.871 2.701 3.009 . 0 0 "[ . 1 . 2]" 1
1349 2 22 HIS HB3 2 26 ASN H 3.780 . 3.780 3.180 2.976 3.356 . 0 0 "[ . 1 . 2]" 1
1350 2 22 HIS HB2 2 25 GLY H 4.590 . 4.590 4.149 4.098 4.227 . 0 0 "[ . 1 . 2]" 1
1351 2 22 HIS HB2 2 26 ASN HB2 4.520 . 4.520 4.819 4.684 4.858 0.338 11 0 "[ . 1 . 2]" 1
1352 2 22 HIS HB2 2 26 ASN HD22 4.120 . 4.120 1.745 1.654 1.851 0.046 9 0 "[ . 1 . 2]" 1
1353 2 22 HIS HB2 2 26 ASN HD21 4.190 . 4.190 2.335 2.267 2.401 . 0 0 "[ . 1 . 2]" 1
1354 2 22 HIS HB2 2 26 ASN H 3.750 . 3.750 3.819 3.795 3.853 0.103 12 0 "[ . 1 . 2]" 1
1355 2 22 HIS H 2 25 GLY HA2 5.110 . 5.110 4.254 4.069 4.465 . 0 0 "[ . 1 . 2]" 1
1356 2 22 HIS H 2 25 GLY H 3.600 . 3.600 3.570 3.517 3.623 0.023 6 0 "[ . 1 . 2]" 1
1357 2 22 HIS H 2 26 ASN H 3.180 . 3.180 3.215 3.198 3.241 0.061 17 0 "[ . 1 . 2]" 1
1358 2 23 ASP H 2 26 ASN HD22 4.640 . 4.640 4.726 4.668 4.796 0.156 1 0 "[ . 1 . 2]" 1
1359 2 24 ASN HB3 2 26 ASN H 5.140 . 5.140 4.239 4.093 4.431 . 0 0 "[ . 1 . 2]" 1
1360 2 24 ASN HB2 2 26 ASN HD22 4.050 . 4.050 3.286 3.125 3.563 . 0 0 "[ . 1 . 2]" 1
1361 2 24 ASN HB2 2 26 ASN HD21 4.560 . 4.560 4.064 3.903 4.565 0.005 1 0 "[ . 1 . 2]" 1
1362 2 24 ASN HB2 2 26 ASN H 4.350 . 4.350 2.614 2.519 2.767 . 0 0 "[ . 1 . 2]" 1
1363 2 24 ASN HD22 2 26 ASN HD22 3.520 . 3.520 3.480 3.330 3.592 0.072 18 0 "[ . 1 . 2]" 1
1364 2 24 ASN HD22 2 28 LEU MD2 5.050 . 5.050 4.850 4.630 5.089 0.039 2 0 "[ . 1 . 2]" 1
1365 2 24 ASN HD21 2 26 ASN HD22 3.920 . 3.920 2.580 2.151 2.829 . 0 0 "[ . 1 . 2]" 1
1366 2 24 ASN HD21 2 26 ASN H 4.220 . 4.220 3.799 3.634 3.899 . 0 0 "[ . 1 . 2]" 1
1367 2 24 ASN HD21 2 28 LEU MD2 4.710 . 4.710 4.475 4.251 4.750 0.040 3 0 "[ . 1 . 2]" 1
1368 2 24 ASN H 2 26 ASN HD22 4.340 . 4.340 3.792 3.603 3.965 . 0 0 "[ . 1 . 2]" 1
1369 2 26 ASN HB2 2 28 LEU MD2 3.590 . 3.590 3.639 3.609 3.671 0.081 5 0 "[ . 1 . 2]" 1
1370 2 26 ASN HB2 2 28 LEU HG 5.500 . 5.500 4.608 4.468 4.672 . 0 0 "[ . 1 . 2]" 1
1371 2 26 ASN HD22 2 28 LEU MD2 3.360 . 3.360 2.504 2.376 2.591 . 0 0 "[ . 1 . 2]" 1
1372 2 26 ASN HD22 2 28 LEU HG 5.430 . 5.430 3.922 3.787 4.076 . 0 0 "[ . 1 . 2]" 1
1373 2 26 ASN HD21 2 28 LEU MD2 3.390 . 3.390 2.571 2.226 2.671 . 0 0 "[ . 1 . 2]" 1
1374 2 26 ASN HD21 2 28 LEU HG 4.520 . 4.520 2.911 2.716 3.016 . 0 0 "[ . 1 . 2]" 1
1375 2 27 ILE HA 2 29 ALA H 4.100 . 4.100 3.885 3.825 3.962 . 0 0 "[ . 1 . 2]" 1
1376 2 27 ILE HB 2 29 ALA H 5.500 . 5.500 5.282 5.174 5.351 . 0 0 "[ . 1 . 2]" 1
1377 2 27 ILE MG 2 29 ALA HA 3.980 . 3.980 3.522 3.403 3.628 . 0 0 "[ . 1 . 2]" 1
1378 2 27 ILE MG 2 29 ALA H 3.000 . 3.000 2.961 2.878 3.008 0.008 2 0 "[ . 1 . 2]" 1
1379 2 27 ILE MG 2 30 ASP HA 4.730 . 4.730 4.054 3.922 4.247 . 0 0 "[ . 1 . 2]" 1
1380 2 27 ILE MG 2 30 ASP HB2 4.730 . 4.730 3.062 2.921 3.302 . 0 0 "[ . 1 . 2]" 1
1381 2 29 ALA MB 2 31 SER H 5.500 . 5.500 5.293 5.205 5.368 . 0 0 "[ . 1 . 2]" 1
1382 2 30 ASP HB3 2 32 GLY H 4.560 . 4.560 3.448 3.205 3.972 . 0 0 "[ . 1 . 2]" 1
1383 2 30 ASP HB2 2 32 GLY H 4.990 . 4.990 4.509 4.346 4.801 . 0 0 "[ . 1 . 2]" 1
1384 2 31 SER HA 2 33 GLU HB2 5.500 . 5.500 5.525 4.867 5.716 0.216 9 0 "[ . 1 . 2]" 1
1385 2 31 SER QB 2 33 GLU HB2 5.080 . 5.080 3.781 2.699 4.078 . 0 0 "[ . 1 . 2]" 1
1386 2 31 SER QB 2 33 GLU H 3.470 . 3.470 2.944 2.460 3.318 . 0 0 "[ . 1 . 2]" 1
1387 2 33 GLU HA 2 35 TYR QE 4.880 . 4.880 4.790 3.733 5.101 0.221 13 0 "[ . 1 . 2]" 1
1388 2 33 GLU HB2 2 35 TYR QE 4.540 . 4.540 2.634 2.256 3.564 . 0 0 "[ . 1 . 2]" 1
1389 2 33 GLU HB3 2 35 TYR QE 4.650 . 4.650 2.643 1.983 3.184 . 0 0 "[ . 1 . 2]" 1
1390 2 33 GLU HG3 2 35 TYR QE 4.820 . 4.820 3.813 3.048 4.601 . 0 0 "[ . 1 . 2]" 1
1391 2 33 GLU HG2 2 35 TYR QE 4.750 . 4.750 4.378 2.931 4.897 0.147 1 0 "[ . 1 . 2]" 1
1392 2 35 TYR HB2 2 37 SER H 3.100 . 3.100 2.910 2.602 3.116 0.016 19 0 "[ . 1 . 2]" 1
1393 2 35 TYR H 2 37 SER H 4.530 . 4.530 4.510 4.242 4.615 0.085 13 0 "[ . 1 . 2]" 1
1394 2 37 SER HB3 2 39 GLN H 5.240 . 5.240 3.275 2.916 4.801 . 0 0 "[ . 1 . 2]" 1
1395 2 37 SER HB3 2 40 LYS QB 4.240 . 4.240 3.837 3.649 3.996 . 0 0 "[ . 1 . 2]" 1
1396 2 37 SER HB3 2 40 LYS H 4.630 . 4.630 3.385 3.124 4.306 . 0 0 "[ . 1 . 2]" 1
1397 2 37 SER HB2 2 39 GLN H 3.590 . 3.590 3.605 3.170 3.701 0.111 15 0 "[ . 1 . 2]" 1
1398 2 37 SER HB2 2 40 LYS QB 4.170 . 4.170 2.524 2.173 3.124 . 0 0 "[ . 1 . 2]" 1
1399 2 37 SER HB2 2 40 LYS HG2 5.270 . 5.270 4.559 4.182 5.349 0.079 3 0 "[ . 1 . 2]" 1
1400 2 37 SER HB2 2 40 LYS H 3.540 . 3.540 2.505 2.336 2.668 . 0 0 "[ . 1 . 2]" 1
1401 2 38 LYS HA 2 40 LYS H 4.800 . 4.800 4.307 4.181 4.406 . 0 0 "[ . 1 . 2]" 1
1402 2 38 LYS HA 2 41 ALA MB 3.100 . 3.100 2.837 2.729 2.963 . 0 0 "[ . 1 . 2]" 1
1403 2 38 LYS HA 2 41 ALA H 3.740 . 3.740 3.403 3.248 3.492 . 0 0 "[ . 1 . 2]" 1
1404 2 38 LYS HA 2 42 LYS H 4.680 . 4.680 4.340 4.211 4.501 . 0 0 "[ . 1 . 2]" 1
1405 2 38 LYS HG3 2 42 LYS HE2 4.010 . 4.010 3.299 2.812 4.404 0.394 19 0 "[ . 1 . 2]" 1
1406 2 38 LYS H 2 40 LYS H 4.310 . 4.310 4.235 4.131 4.343 0.033 18 0 "[ . 1 . 2]" 1
1407 2 39 GLN HA 2 41 ALA H 4.680 . 4.680 4.442 4.330 4.528 . 0 0 "[ . 1 . 2]" 1
1408 2 39 GLN HA 2 42 LYS HB2 3.720 . 3.720 2.940 2.716 3.125 . 0 0 "[ . 1 . 2]" 1
1409 2 39 GLN HA 2 42 LYS HG3 3.310 . 3.310 3.179 2.653 3.372 0.062 5 0 "[ . 1 . 2]" 1
1410 2 39 GLN HA 2 42 LYS H 4.200 . 4.200 3.558 3.420 3.657 . 0 0 "[ . 1 . 2]" 1
1411 2 39 GLN HA 2 43 GLN H 4.730 . 4.730 4.130 3.942 4.331 . 0 0 "[ . 1 . 2]" 1
1412 2 39 GLN HB3 2 41 ALA H 5.390 . 5.390 5.036 4.935 5.133 . 0 0 "[ . 1 . 2]" 1
1413 2 39 GLN HB3 2 43 GLN HE21 4.940 . 4.940 5.035 4.994 5.090 0.150 12 0 "[ . 1 . 2]" 1
1414 2 39 GLN QG 2 41 ALA H 5.370 . 5.370 5.199 5.073 5.310 . 0 0 "[ . 1 . 2]" 1
1415 2 39 GLN QG 2 43 GLN HE21 3.300 . 3.300 2.712 2.633 2.811 . 0 0 "[ . 1 . 2]" 1
1416 2 39 GLN QG 2 43 GLN HE22 3.450 . 3.450 3.368 3.156 3.465 0.015 15 0 "[ . 1 . 2]" 1
1417 2 39 GLN QG 2 43 GLN HG2 3.130 . 3.130 2.381 2.095 2.626 . 0 0 "[ . 1 . 2]" 1
1418 2 39 GLN QG 2 43 GLN H 4.240 . 4.240 3.994 3.844 4.139 . 0 0 "[ . 1 . 2]" 1
1419 2 39 GLN H 2 41 ALA H 4.540 . 4.540 4.214 4.127 4.347 . 0 0 "[ . 1 . 2]" 1
1420 2 40 LYS HA 2 43 GLN QB 3.330 . 3.330 2.569 2.398 2.787 . 0 0 "[ . 1 . 2]" 1
1421 2 40 LYS HA 2 43 GLN HE21 5.250 . 5.250 4.422 4.212 4.742 . 0 0 "[ . 1 . 2]" 1
1422 2 40 LYS HA 2 43 GLN HG2 3.770 . 3.770 2.514 2.238 2.833 . 0 0 "[ . 1 . 2]" 1
1423 2 40 LYS H 2 42 LYS H 5.040 . 5.040 4.282 4.147 4.393 . 0 0 "[ . 1 . 2]" 1
1424 2 41 ALA HA 2 43 GLN H 5.040 . 5.040 4.400 4.301 4.505 . 0 0 "[ . 1 . 2]" 1
1425 2 41 ALA HA 2 44 GLY QA 4.120 . 4.120 3.883 3.707 4.015 . 0 0 "[ . 1 . 2]" 1
1426 2 41 ALA HA 2 44 GLY H 3.780 . 3.780 3.467 3.361 3.561 . 0 0 "[ . 1 . 2]" 1
1427 2 41 ALA HA 2 45 ILE MD 5.220 . 5.220 4.902 4.790 5.181 . 0 0 "[ . 1 . 2]" 1
1428 2 41 ALA MB 2 44 GLY QA 5.170 . 5.170 4.913 4.737 5.000 . 0 0 "[ . 1 . 2]" 1
1429 2 41 ALA MB 2 44 GLY H 5.300 . 5.300 4.459 4.362 4.508 . 0 0 "[ . 1 . 2]" 1
1430 2 41 ALA MB 2 45 ILE MD 3.990 . 3.990 3.722 3.585 3.951 . 0 0 "[ . 1 . 2]" 1
1431 2 41 ALA H 2 43 GLN QB 5.110 . 5.110 5.048 4.935 5.133 0.023 6 0 "[ . 1 . 2]" 1
1432 2 41 ALA H 2 43 GLN H 4.470 . 4.470 4.030 3.945 4.116 . 0 0 "[ . 1 . 2]" 1
1433 2 42 LYS HA 2 44 GLY H 4.060 . 4.060 3.895 3.784 4.044 . 0 0 "[ . 1 . 2]" 1
1434 2 42 LYS HA 2 45 ILE HB 3.670 . 3.670 3.004 2.787 3.259 . 0 0 "[ . 1 . 2]" 1
1435 2 42 LYS HA 2 45 ILE MD 2.970 . 2.970 1.860 1.795 1.952 . 0 0 "[ . 1 . 2]" 1
1436 2 42 LYS HA 2 45 ILE QG 4.190 . 4.190 3.151 2.961 3.318 . 0 0 "[ . 1 . 2]" 1
1437 2 42 LYS HA 2 45 ILE MG 4.850 . 4.850 4.257 4.081 4.449 . 0 0 "[ . 1 . 2]" 1
1438 2 42 LYS HA 2 45 ILE H 3.530 . 3.530 3.270 3.132 3.413 . 0 0 "[ . 1 . 2]" 1
1439 2 42 LYS HA 2 46 GLU H 4.810 . 4.810 4.331 4.167 4.541 . 0 0 "[ . 1 . 2]" 1
1440 2 42 LYS HB2 2 45 ILE MD 4.910 . 4.910 4.490 4.389 4.644 . 0 0 "[ . 1 . 2]" 1
1441 2 42 LYS HB3 2 45 ILE MD 4.870 . 4.870 3.539 3.354 3.692 . 0 0 "[ . 1 . 2]" 1
1442 2 42 LYS HG3 2 45 ILE MD 5.320 . 5.320 4.343 4.213 4.597 . 0 0 "[ . 1 . 2]" 1
1443 2 42 LYS H 2 44 GLY H 5.250 . 5.250 3.996 3.932 4.057 . 0 0 "[ . 1 . 2]" 1
1444 2 42 LYS H 2 45 ILE MD 4.240 . 4.240 4.144 4.052 4.251 0.011 10 0 "[ . 1 . 2]" 1
1445 2 43 GLN HA 2 46 GLU HG3 3.830 . 3.830 3.219 2.592 3.915 0.085 8 0 "[ . 1 . 2]" 1
1446 2 43 GLN HA 2 46 GLU HG2 4.110 . 4.110 4.042 3.659 4.285 0.175 20 0 "[ . 1 . 2]" 1
1447 2 43 GLN HA 2 46 GLU H 3.920 . 3.920 3.288 3.109 3.496 . 0 0 "[ . 1 . 2]" 1
1448 2 43 GLN QB 2 45 ILE H 4.990 . 4.990 4.823 4.765 4.889 . 0 0 "[ . 1 . 2]" 1
1449 2 43 GLN QB 2 46 GLU H 4.890 . 4.890 4.793 4.640 4.929 0.039 18 0 "[ . 1 . 2]" 1
1450 2 44 GLY QA 2 47 SER H 4.400 . 4.400 3.357 3.261 3.463 . 0 0 "[ . 1 . 2]" 1
1451 2 44 GLY H 2 47 SER H 4.660 . 4.660 4.584 4.507 4.637 . 0 0 "[ . 1 . 2]" 1
1452 2 45 ILE HA 2 48 VAL MG1 3.770 . 3.770 2.468 2.307 2.656 . 0 0 "[ . 1 . 2]" 1
1453 2 45 ILE HA 2 48 VAL H 4.020 . 4.020 3.380 3.277 3.527 . 0 0 "[ . 1 . 2]" 1
1454 2 45 ILE HA 2 49 LYS H 4.580 . 4.580 4.166 3.989 4.304 . 0 0 "[ . 1 . 2]" 1
1455 2 45 ILE HB 2 49 LYS QD 4.390 . 4.390 4.307 4.105 4.511 0.121 19 0 "[ . 1 . 2]" 1
1456 2 45 ILE QG 2 49 LYS QD 4.920 . 4.920 4.851 4.636 5.004 0.084 2 0 "[ . 1 . 2]" 1
1457 2 45 ILE MG 2 48 VAL HB 5.240 . 5.240 4.811 4.546 5.095 . 0 0 "[ . 1 . 2]" 1
1458 2 45 ILE MG 2 48 VAL MG2 5.500 . 5.500 5.155 4.905 5.368 . 0 0 "[ . 1 . 2]" 1
1459 2 45 ILE MG 2 48 VAL MG1 4.660 . 4.660 2.976 2.713 3.172 . 0 0 "[ . 1 . 2]" 1
1460 2 45 ILE MG 2 49 LYS HA 5.450 . 5.450 5.356 5.143 5.501 0.051 9 0 "[ . 1 . 2]" 1
1461 2 45 ILE MG 2 49 LYS HB3 5.050 . 5.050 5.000 4.889 5.073 0.023 8 0 "[ . 1 . 2]" 1
1462 2 45 ILE MG 2 49 LYS HB2 5.160 . 5.160 4.187 4.030 4.301 . 0 0 "[ . 1 . 2]" 1
1463 2 45 ILE MG 2 49 LYS QG 2.920 . 2.920 2.870 2.673 3.047 0.127 8 0 "[ . 1 . 2]" 1
1464 2 45 ILE MG 2 49 LYS H 4.530 . 4.530 4.074 3.901 4.226 . 0 0 "[ . 1 . 2]" 1
1465 2 45 ILE H 2 48 VAL H 5.050 . 5.050 4.627 4.587 4.677 . 0 0 "[ . 1 . 2]" 1
1466 2 46 GLU HA 2 48 VAL H 4.020 . 4.020 4.132 4.108 4.160 0.140 4 0 "[ . 1 . 2]" 1
1467 2 46 GLU HA 2 49 LYS HB2 3.850 . 3.850 2.796 2.493 3.043 . 0 0 "[ . 1 . 2]" 1
1468 2 46 GLU HA 2 49 LYS QE 4.730 . 4.730 4.205 3.593 4.785 0.055 11 0 "[ . 1 . 2]" 1
1469 2 46 GLU HA 2 49 LYS H 3.360 . 3.360 3.424 3.333 3.503 0.143 2 0 "[ . 1 . 2]" 1
1470 2 47 SER HA 2 49 LYS H 4.930 . 4.930 4.503 4.314 4.617 . 0 0 "[ . 1 . 2]" 1
1471 2 47 SER HA 2 51 ASN HD21 3.680 . 3.680 3.367 3.192 3.526 . 0 0 "[ . 1 . 2]" 1
1472 2 47 SER HA 2 51 ASN HD22 3.960 . 3.960 3.881 3.700 3.993 0.033 9 0 "[ . 1 . 2]" 1
1473 2 47 SER HB2 2 49 LYS H 5.420 . 5.420 5.152 4.999 5.227 . 0 0 "[ . 1 . 2]" 1
1474 2 47 SER H 2 49 LYS H 4.250 . 4.250 4.200 4.034 4.281 0.031 12 0 "[ . 1 . 2]" 1
1475 2 48 VAL HA 2 51 ASN HD21 4.340 . 4.340 3.654 3.373 3.859 . 0 0 "[ . 1 . 2]" 1
1476 2 48 VAL HA 2 51 ASN HD22 5.420 . 5.420 5.247 4.974 5.415 . 0 0 "[ . 1 . 2]" 1
1477 2 48 VAL HA 2 51 ASN H 4.500 . 4.500 3.428 3.333 3.552 . 0 0 "[ . 1 . 2]" 1
1478 2 48 VAL HA 2 52 ALA MB 3.890 . 3.890 3.433 3.286 3.617 . 0 0 "[ . 1 . 2]" 1
1479 2 48 VAL HA 2 52 ALA H 3.950 . 3.950 3.207 3.075 3.329 . 0 0 "[ . 1 . 2]" 1
1480 2 48 VAL HB 2 52 ALA MB 4.400 . 4.400 4.395 4.351 4.434 0.034 4 0 "[ . 1 . 2]" 1
1481 2 48 VAL MG2 2 51 ASN HD21 5.280 . 5.280 5.143 4.900 5.335 0.055 11 0 "[ . 1 . 2]" 1
1482 2 48 VAL MG1 2 50 ARG H 4.110 . 4.110 4.143 4.108 4.185 0.075 13 0 "[ . 1 . 2]" 1
1483 2 48 VAL MG1 2 52 ALA MB 2.820 . 2.820 2.920 2.875 2.997 0.177 7 0 "[ . 1 . 2]" 1
1484 2 48 VAL MG1 2 52 ALA H 4.360 . 4.360 4.194 4.132 4.288 . 0 0 "[ . 1 . 2]" 1
1485 2 49 LYS HA 2 52 ALA MB 3.180 . 3.180 3.105 2.978 3.199 0.019 14 0 "[ . 1 . 2]" 1
1486 2 49 LYS HA 2 52 ALA H 4.550 . 4.550 3.898 3.795 3.975 . 0 0 "[ . 1 . 2]" 1
1487 2 49 LYS HA 2 53 PRO HG3 4.080 . 4.080 3.831 3.683 3.999 . 0 0 "[ . 1 . 2]" 1
1488 2 49 LYS QG 2 53 PRO HD3 4.420 . 4.420 4.588 4.467 4.684 0.264 8 0 "[ . 1 . 2]" 1
1489 2 49 LYS H 2 51 ASN H 4.270 . 4.270 4.128 4.063 4.202 . 0 0 "[ . 1 . 2]" 1
1490 2 49 LYS H 2 52 ALA H 4.880 . 4.880 4.689 4.660 4.739 . 0 0 "[ . 1 . 2]" 1
1491 2 50 ARG H 2 52 ALA MB 5.500 . 5.500 4.554 4.466 4.679 . 0 0 "[ . 1 . 2]" 1
1492 2 50 ARG H 2 52 ALA H 3.850 . 3.850 3.669 3.598 3.820 . 0 0 "[ . 1 . 2]" 1
1493 2 50 ARG H 2 53 PRO HD2 5.020 . 5.020 4.109 4.036 4.197 . 0 0 "[ . 1 . 2]" 1
1494 2 50 ARG H 2 53 PRO HD3 4.610 . 4.610 4.679 4.654 4.702 0.092 16 0 "[ . 1 . 2]" 1
1495 2 51 ASN HA 2 53 PRO HD2 4.530 . 4.530 3.636 3.575 3.697 . 0 0 "[ . 1 . 2]" 1
1496 2 51 ASN HA 2 53 PRO HD3 5.430 . 5.430 5.377 5.309 5.440 0.010 15 0 "[ . 1 . 2]" 1
1497 2 51 ASN H 2 53 PRO HD3 3.810 . 3.810 3.709 3.616 3.834 0.024 17 0 "[ . 1 . 2]" 1
1498 2 52 ALA HA 2 55 ALA MB 3.030 . 3.030 2.474 2.389 2.557 . 0 0 "[ . 1 . 2]" 1
1499 2 52 ALA HA 2 55 ALA H 3.610 . 3.610 3.361 3.266 3.452 . 0 0 "[ . 1 . 2]" 1
1500 2 52 ALA MB 2 54 ASP H 4.840 . 4.840 4.233 4.197 4.264 . 0 0 "[ . 1 . 2]" 1
1501 2 52 ALA H 2 54 ASP H 3.990 . 3.990 4.135 4.086 4.185 0.195 20 0 "[ . 1 . 2]" 1
1502 2 52 ALA H 2 55 ALA H 4.830 . 4.830 4.670 4.592 4.742 . 0 0 "[ . 1 . 2]" 1
1503 2 53 PRO HA 2 55 ALA H 4.750 . 4.750 4.433 4.291 4.599 . 0 0 "[ . 1 . 2]" 1
1504 2 56 ASP QB 2 58 ILE H 5.420 . 5.420 5.189 5.011 5.519 0.099 19 0 "[ . 1 . 2]" 1
1505 2 58 ILE HB 2 60 ALA HA 4.770 . 4.770 4.823 4.635 4.875 0.105 3 0 "[ . 1 . 2]" 1
1506 2 58 ILE HB 2 60 ALA H 4.980 . 4.980 4.655 4.504 4.900 . 0 0 "[ . 1 . 2]" 1
1507 1 3 LYS HA 1 23 ASP H 5.100 . 5.100 4.911 4.634 5.195 0.095 10 0 "[ . 1 . 2]" 1
1508 1 3 LYS HB2 1 22 HIS HA 5.310 . 5.310 5.135 4.807 5.373 0.063 11 0 "[ . 1 . 2]" 1
1509 1 4 ALA HA 1 20 LEU MD1 4.420 . 4.420 4.283 4.127 4.405 . 0 0 "[ . 1 . 2]" 1
1510 1 4 ALA HA 1 22 HIS HA 3.100 . 3.100 2.470 2.326 2.711 . 0 0 "[ . 1 . 2]" 1
1511 1 4 ALA MB 1 20 LEU MD1 2.980 . 2.980 2.408 2.273 2.530 . 0 0 "[ . 1 . 2]" 1
1512 1 4 ALA MB 1 22 HIS HA 3.110 . 3.110 2.314 2.212 2.433 . 0 0 "[ . 1 . 2]" 1
1513 1 4 ALA MB 1 22 HIS HB2 4.080 . 4.080 4.015 3.896 4.092 0.012 6 0 "[ . 1 . 2]" 1
1514 1 4 ALA MB 1 23 ASP H 4.120 . 4.120 3.796 3.604 3.978 . 0 0 "[ . 1 . 2]" 1
1515 1 4 ALA H 1 22 HIS HA 4.900 . 4.900 4.764 4.626 4.939 0.039 10 0 "[ . 1 . 2]" 1
1516 1 5 HIS HA 1 20 LEU MD1 4.080 . 4.080 3.052 3.000 3.121 . 0 0 "[ . 1 . 2]" 1
1517 1 5 HIS HA 1 21 VAL H 4.930 . 4.930 4.871 4.792 4.934 0.004 4 0 "[ . 1 . 2]" 1
1518 1 5 HIS H 1 20 LEU HA 4.500 . 4.500 4.230 4.075 4.379 . 0 0 "[ . 1 . 2]" 1
1519 1 5 HIS H 1 20 LEU MD1 2.930 . 2.930 2.552 2.487 2.616 . 0 0 "[ . 1 . 2]" 1
1520 1 5 HIS H 1 20 LEU MD2 4.480 . 4.480 4.488 4.358 4.558 0.078 17 0 "[ . 1 . 2]" 1
1521 1 5 HIS H 1 21 VAL HB 4.450 . 4.450 4.033 3.894 4.150 . 0 0 "[ . 1 . 2]" 1
1522 1 5 HIS H 1 21 VAL H 2.840 . 2.840 2.784 2.656 2.895 0.055 4 0 "[ . 1 . 2]" 1
1523 1 5 HIS H 1 28 LEU MD1 3.890 . 3.890 3.911 3.840 3.954 0.064 1 0 "[ . 1 . 2]" 1
1524 1 6 PHE HA 1 20 LEU HA 3.180 . 3.180 2.444 2.340 2.554 . 0 0 "[ . 1 . 2]" 1
1525 1 6 PHE HA 1 20 LEU MD1 3.510 . 3.510 2.476 2.285 2.622 . 0 0 "[ . 1 . 2]" 1
1526 1 6 PHE HA 1 21 VAL QG 4.110 . 4.110 4.171 4.130 4.242 0.132 1 0 "[ . 1 . 2]" 1
1527 1 6 PHE HA 1 21 VAL H 3.870 . 3.870 3.663 3.523 3.818 . 0 0 "[ . 1 . 2]" 1
1528 1 6 PHE HA 1 45 ILE MD 5.500 . 5.500 4.585 4.471 4.861 . 0 0 "[ . 1 . 2]" 1
1529 1 6 PHE HB3 1 18 TRP HB2 4.350 . 4.350 3.514 3.341 3.609 . 0 0 "[ . 1 . 2]" 1
1530 1 6 PHE HB3 1 20 LEU MD1 4.980 . 4.980 4.094 4.004 4.156 . 0 0 "[ . 1 . 2]" 1
1531 1 6 PHE HB3 1 45 ILE MD 3.330 . 3.330 2.368 2.248 2.591 . 0 0 "[ . 1 . 2]" 1
1532 1 6 PHE HB2 1 45 ILE MD 4.190 . 4.190 3.108 2.960 3.306 . 0 0 "[ . 1 . 2]" 1
1533 1 6 PHE HB2 1 45 ILE QG 5.190 . 5.190 4.362 4.241 4.504 . 0 0 "[ . 1 . 2]" 1
1534 1 6 PHE QD 1 18 TRP HB2 4.560 . 4.560 3.602 3.471 3.737 . 0 0 "[ . 1 . 2]" 1
1535 1 6 PHE QD 1 19 ARG HA 4.200 . 4.200 4.287 4.174 4.349 0.149 12 0 "[ . 1 . 2]" 1
1536 1 6 PHE QD 1 19 ARG H 4.720 . 4.720 4.003 3.795 4.150 . 0 0 "[ . 1 . 2]" 1
1537 1 6 PHE QD 1 20 LEU HA 4.010 . 4.010 3.138 3.030 3.229 . 0 0 "[ . 1 . 2]" 1
1538 1 6 PHE QD 1 20 LEU HB2 3.770 . 3.770 2.970 2.812 3.083 . 0 0 "[ . 1 . 2]" 1
1539 1 6 PHE QD 1 20 LEU HB3 4.780 . 4.780 4.548 4.408 4.643 . 0 0 "[ . 1 . 2]" 1
1540 1 6 PHE QD 1 20 LEU MD1 3.680 . 3.680 2.860 2.825 2.894 . 0 0 "[ . 1 . 2]" 1
1541 1 6 PHE QD 1 20 LEU MD2 4.230 . 4.230 4.162 4.044 4.243 0.013 8 0 "[ . 1 . 2]" 1
1542 1 6 PHE QD 1 20 LEU H 4.150 . 4.150 4.016 3.914 4.090 . 0 0 "[ . 1 . 2]" 1
1543 1 6 PHE QD 1 45 ILE HA 4.970 . 4.970 4.878 4.766 4.993 0.023 10 0 "[ . 1 . 2]" 1
1544 1 6 PHE QD 1 45 ILE MD 4.170 . 4.170 3.489 3.355 3.705 . 0 0 "[ . 1 . 2]" 1
1545 1 6 PHE QD 1 45 ILE MG 3.550 . 3.550 2.706 2.656 2.775 . 0 0 "[ . 1 . 2]" 1
1546 1 6 PHE QD 1 48 VAL MG1 4.920 . 4.920 4.540 4.367 4.777 . 0 0 "[ . 1 . 2]" 1
1547 1 6 PHE H 1 20 LEU MD1 3.460 . 3.460 3.231 3.183 3.318 . 0 0 "[ . 1 . 2]" 1
1548 1 6 PHE H 1 20 LEU MD2 5.500 . 5.500 5.600 5.558 5.646 0.146 8 0 "[ . 1 . 2]" 1
1549 1 6 PHE H 1 45 ILE MG 4.940 . 4.940 4.811 4.740 4.882 . 0 0 "[ . 1 . 2]" 1
1550 1 7 GLU HA 1 18 TRP HA 5.500 . 5.500 5.375 5.261 5.458 . 0 0 "[ . 1 . 2]" 1
1551 1 7 GLU HA 1 18 TRP HB2 5.110 . 5.110 4.806 4.740 4.849 . 0 0 "[ . 1 . 2]" 1
1552 1 7 GLU HA 1 45 ILE MD 5.500 . 5.500 4.808 4.707 5.004 . 0 0 "[ . 1 . 2]" 1
1553 1 7 GLU HG3 1 21 VAL HB 5.080 . 5.080 4.332 4.002 4.816 . 0 0 "[ . 1 . 2]" 1
1554 1 7 GLU H 1 18 TRP HA 4.550 . 4.550 4.338 4.227 4.404 . 0 0 "[ . 1 . 2]" 1
1555 1 7 GLU H 1 18 TRP HB2 3.760 . 3.760 3.165 3.087 3.207 . 0 0 "[ . 1 . 2]" 1
1556 1 7 GLU H 1 20 LEU MD1 4.490 . 4.490 4.338 4.170 4.459 . 0 0 "[ . 1 . 2]" 1
1557 1 7 GLU H 1 45 ILE MD 4.480 . 4.480 4.206 4.086 4.482 0.002 14 0 "[ . 1 . 2]" 1
1558 1 7 GLU H 1 45 ILE MG 5.500 . 5.500 5.529 5.477 5.572 0.072 3 0 "[ . 1 . 2]" 1
1559 1 8 VAL HA 1 18 TRP HA 3.330 . 3.330 2.289 2.177 2.347 . 0 0 "[ . 1 . 2]" 1
1560 1 8 VAL HA 1 18 TRP HB3 3.720 . 3.720 2.333 2.236 2.444 . 0 0 "[ . 1 . 2]" 1
1561 1 8 VAL HA 1 18 TRP HB2 4.010 . 4.010 3.168 3.107 3.242 . 0 0 "[ . 1 . 2]" 1
1562 1 8 VAL HA 1 18 TRP HD1 5.500 . 5.500 4.630 4.479 4.719 . 0 0 "[ . 1 . 2]" 1
1563 1 8 VAL HA 1 18 TRP H 4.550 . 4.550 4.523 4.448 4.566 0.016 1 0 "[ . 1 . 2]" 1
1564 1 8 VAL HA 1 19 ARG H 3.930 . 3.930 3.913 3.792 3.981 0.051 4 0 "[ . 1 . 2]" 1
1565 1 8 VAL HA 1 41 ALA MB 4.710 . 4.710 4.058 3.869 4.249 . 0 0 "[ . 1 . 2]" 1
1566 1 8 VAL HA 1 45 ILE MD 4.420 . 4.420 4.092 4.008 4.189 . 0 0 "[ . 1 . 2]" 1
1567 1 8 VAL HB 1 18 TRP HB2 5.260 . 5.260 5.350 5.311 5.398 0.138 17 0 "[ . 1 . 2]" 1
1568 1 8 VAL MG2 1 18 TRP HA 4.350 . 4.350 3.650 3.550 3.713 . 0 0 "[ . 1 . 2]" 1
1569 1 8 VAL MG2 1 18 TRP HB3 3.760 . 3.760 1.869 1.844 1.897 . 0 0 "[ . 1 . 2]" 1
1570 1 8 VAL MG2 1 18 TRP HB2 3.340 . 3.340 2.965 2.911 3.055 . 0 0 "[ . 1 . 2]" 1
1571 1 8 VAL MG2 1 18 TRP HD1 4.240 . 4.240 3.046 2.876 3.229 . 0 0 "[ . 1 . 2]" 1
1572 1 8 VAL MG2 1 18 TRP H 4.730 . 4.730 4.788 4.754 4.825 0.095 20 0 "[ . 1 . 2]" 1
1573 1 8 VAL MG2 1 19 ARG H 4.700 . 4.700 4.521 4.426 4.596 . 0 0 "[ . 1 . 2]" 1
1574 1 8 VAL MG2 1 45 ILE MD 2.890 . 2.890 2.109 2.033 2.211 . 0 0 "[ . 1 . 2]" 1
1575 1 8 VAL MG2 1 45 ILE MG 4.730 . 4.730 4.505 4.419 4.608 . 0 0 "[ . 1 . 2]" 1
1576 1 8 VAL MG1 1 16 TYR HA 4.040 . 4.040 3.554 3.430 3.666 . 0 0 "[ . 1 . 2]" 1
1577 1 8 VAL MG1 1 16 TYR HB3 4.100 . 4.100 2.747 2.533 2.897 . 0 0 "[ . 1 . 2]" 1
1578 1 8 VAL MG1 1 17 ARG H 4.550 . 4.550 3.209 3.033 3.354 . 0 0 "[ . 1 . 2]" 1
1579 1 8 VAL MG1 1 18 TRP HB2 5.000 . 5.000 4.544 4.426 4.663 . 0 0 "[ . 1 . 2]" 1
1580 1 8 VAL MG1 1 18 TRP HD1 4.910 . 4.910 3.942 3.664 4.126 . 0 0 "[ . 1 . 2]" 1
1581 1 8 VAL MG1 1 41 ALA H 5.500 . 5.500 4.556 4.381 4.743 . 0 0 "[ . 1 . 2]" 1
1582 1 8 VAL MG1 1 42 LYS H 4.970 . 4.970 3.956 3.829 4.362 . 0 0 "[ . 1 . 2]" 1
1583 1 8 VAL H 1 18 TRP HA 4.820 . 4.820 4.678 4.562 4.771 . 0 0 "[ . 1 . 2]" 1
1584 1 8 VAL H 1 18 TRP HB3 4.530 . 4.530 4.412 4.255 4.511 . 0 0 "[ . 1 . 2]" 1
1585 1 8 VAL H 1 18 TRP HB2 4.590 . 4.590 4.532 4.473 4.602 0.012 1 0 "[ . 1 . 2]" 1
1586 1 8 VAL H 1 45 ILE MD 4.590 . 4.590 4.435 4.317 4.570 . 0 0 "[ . 1 . 2]" 1
1587 1 9 PHE QD 1 18 TRP HA 3.450 . 3.450 2.425 2.251 2.528 . 0 0 "[ . 1 . 2]" 1
1588 1 9 PHE QD 1 18 TRP HB3 4.770 . 4.770 4.497 4.389 4.602 . 0 0 "[ . 1 . 2]" 1
1589 1 9 PHE QD 1 19 ARG HB2 5.080 . 5.080 4.451 4.051 4.671 . 0 0 "[ . 1 . 2]" 1
1590 1 9 PHE QD 1 19 ARG QG 4.910 . 4.910 4.198 3.151 4.875 . 0 0 "[ . 1 . 2]" 1
1591 1 9 PHE QD 1 19 ARG H 4.360 . 4.360 3.916 3.712 4.099 . 0 0 "[ . 1 . 2]" 1
1592 1 9 PHE QE 1 17 ARG HB2 4.330 . 4.330 2.732 2.499 3.138 . 0 0 "[ . 1 . 2]" 1
1593 1 9 PHE QE 1 17 ARG QG 5.170 . 5.170 4.262 4.004 4.436 . 0 0 "[ . 1 . 2]" 1
1594 1 9 PHE QE 1 18 TRP HA 3.770 . 3.770 2.999 2.708 3.240 . 0 0 "[ . 1 . 2]" 1
1595 1 9 PHE QE 1 18 TRP H 3.510 . 3.510 3.352 3.087 3.537 0.027 4 0 "[ . 1 . 2]" 1
1596 1 9 PHE QE 1 19 ARG HB2 4.350 . 4.350 4.003 3.559 4.327 . 0 0 "[ . 1 . 2]" 1
1597 1 9 PHE QE 1 19 ARG QG 4.020 . 4.020 2.608 1.980 3.434 . 0 0 "[ . 1 . 2]" 1
1598 1 9 PHE QE 1 19 ARG H 4.790 . 4.790 4.122 3.679 4.459 . 0 0 "[ . 1 . 2]" 1
1599 1 9 PHE H 1 17 ARG H 3.380 . 3.380 2.895 2.750 3.038 . 0 0 "[ . 1 . 2]" 1
1600 1 9 PHE H 1 18 TRP HA 3.090 . 3.090 3.073 2.942 3.151 0.061 13 0 "[ . 1 . 2]" 1
1601 1 9 PHE H 1 18 TRP HB3 4.970 . 4.970 3.989 3.867 4.083 . 0 0 "[ . 1 . 2]" 1
1602 1 9 PHE H 1 18 TRP H 4.650 . 4.650 4.650 4.520 4.723 0.073 5 0 "[ . 1 . 2]" 1
1603 1 10 VAL HA 1 16 TYR HA 3.120 . 3.120 2.767 2.635 2.845 . 0 0 "[ . 1 . 2]" 1
1604 1 10 VAL HA 1 17 ARG HB2 5.500 . 5.500 5.113 4.813 5.439 . 0 0 "[ . 1 . 2]" 1
1605 1 10 VAL HA 1 17 ARG QG 4.250 . 4.250 4.240 4.156 4.310 0.060 15 0 "[ . 1 . 2]" 1
1606 1 10 VAL HA 1 17 ARG H 3.610 . 3.610 3.440 3.308 3.518 . 0 0 "[ . 1 . 2]" 1
1607 1 10 VAL HB 1 16 TYR HA 5.500 . 5.500 5.477 5.279 5.563 0.063 4 0 "[ . 1 . 2]" 1
1608 1 10 VAL MG2 1 15 LYS HA 4.990 . 4.990 4.359 4.189 4.590 . 0 0 "[ . 1 . 2]" 1
1609 1 10 VAL MG2 1 15 LYS H 3.960 . 3.960 4.023 3.995 4.106 0.146 2 0 "[ . 1 . 2]" 1
1610 1 10 VAL MG2 1 16 TYR HA 3.730 . 3.730 3.325 3.099 3.414 . 0 0 "[ . 1 . 2]" 1
1611 1 10 VAL MG2 1 16 TYR HB3 5.010 . 5.010 4.736 4.483 5.006 . 0 0 "[ . 1 . 2]" 1
1612 1 10 VAL MG2 1 16 TYR QE 3.580 . 3.580 3.073 2.770 3.479 . 0 0 "[ . 1 . 2]" 1
1613 1 10 VAL MG2 1 16 TYR H 4.970 . 4.970 4.612 4.322 4.982 0.012 4 0 "[ . 1 . 2]" 1
1614 1 10 VAL MG1 1 15 LYS H 2.910 . 2.910 2.657 2.507 2.797 . 0 0 "[ . 1 . 2]" 1
1615 1 10 VAL MG1 1 16 TYR HA 5.110 . 5.110 4.615 4.469 4.691 . 0 0 "[ . 1 . 2]" 1
1616 1 10 VAL H 1 17 ARG H 5.360 . 5.360 4.895 4.810 4.977 . 0 0 "[ . 1 . 2]" 1
1617 1 11 ASP HB3 1 16 TYR H 5.500 . 5.500 5.525 5.194 5.606 0.106 11 0 "[ . 1 . 2]" 1
1618 1 15 LYS HA 1 35 TYR H 4.560 . 4.560 4.000 3.847 4.550 . 0 0 "[ . 1 . 2]" 1
1619 1 15 LYS HB3 1 34 GLY HA2 3.630 . 3.630 3.456 3.197 3.645 0.015 3 0 "[ . 1 . 2]" 1
1620 1 15 LYS HB3 1 35 TYR H 4.240 . 4.240 2.512 2.427 2.665 . 0 0 "[ . 1 . 2]" 1
1621 1 15 LYS HB2 1 35 TYR H 4.390 . 4.390 3.793 3.597 4.064 . 0 0 "[ . 1 . 2]" 1
1622 1 15 LYS QG 1 35 TYR H . . 5.120 4.613 4.169 4.717 . 0 0 "[ . 1 . 2]" 1
1623 1 16 TYR HA 1 41 ALA MB 3.830 . 3.830 3.826 3.715 3.904 0.074 4 0 "[ . 1 . 2]" 1
1624 1 16 TYR HB3 1 35 TYR H 5.500 . 5.500 5.272 5.020 5.685 0.185 4 0 "[ . 1 . 2]" 1
1625 1 16 TYR HB3 1 41 ALA MB 3.360 . 3.360 2.186 2.098 2.292 . 0 0 "[ . 1 . 2]" 1
1626 1 16 TYR HB3 1 41 ALA H 3.900 . 3.900 3.928 3.897 3.966 0.066 19 0 "[ . 1 . 2]" 1
1627 1 16 TYR HB2 1 35 TYR H 4.630 . 4.630 3.992 3.719 4.392 . 0 0 "[ . 1 . 2]" 1
1628 1 16 TYR HB2 1 37 SER H 4.090 . 4.090 3.550 3.215 3.753 . 0 0 "[ . 1 . 2]" 1
1629 1 16 TYR HB2 1 38 LYS HB3 5.290 . 5.290 4.722 4.549 4.876 . 0 0 "[ . 1 . 2]" 1
1630 1 16 TYR HB2 1 38 LYS H 4.850 . 4.850 4.400 4.262 4.535 . 0 0 "[ . 1 . 2]" 1
1631 1 16 TYR HB2 1 41 ALA MB 3.480 . 3.480 2.622 2.456 2.789 . 0 0 "[ . 1 . 2]" 1
1632 1 16 TYR QE 1 36 ALA MB 4.530 . 4.530 4.180 3.910 4.601 0.071 6 0 "[ . 1 . 2]" 1
1633 1 16 TYR QE 1 37 SER HA 3.420 . 3.420 3.326 3.146 3.437 0.017 10 0 "[ . 1 . 2]" 1
1634 1 16 TYR QE 1 37 SER HB3 5.500 . 5.500 5.546 5.391 5.619 0.119 4 0 "[ . 1 . 2]" 1
1635 1 16 TYR QE 1 38 LYS HA 4.160 . 4.160 4.087 3.977 4.188 0.028 1 0 "[ . 1 . 2]" 1
1636 1 16 TYR QE 1 38 LYS HB3 3.290 . 3.290 2.934 2.568 3.148 . 0 0 "[ . 1 . 2]" 1
1637 1 16 TYR QE 1 38 LYS HB2 4.690 . 4.690 3.942 3.861 4.074 . 0 0 "[ . 1 . 2]" 1
1638 1 16 TYR QE 1 38 LYS QD 4.050 . 4.050 3.998 3.710 4.176 0.126 5 0 "[ . 1 . 2]" 1
1639 1 16 TYR QE 1 38 LYS QE 3.730 . 3.730 3.422 2.262 3.804 0.074 18 0 "[ . 1 . 2]" 1
1640 1 16 TYR QE 1 38 LYS H 3.580 . 3.580 3.585 3.479 3.647 0.067 11 0 "[ . 1 . 2]" 1
1641 1 16 TYR H 1 34 GLY HA3 5.330 . 5.330 5.133 4.815 5.476 0.146 4 0 "[ . 1 . 2]" 1
1642 1 16 TYR H 1 35 TYR H 2.910 . 2.910 2.727 2.562 2.997 0.087 4 0 "[ . 1 . 2]" 1
1643 1 16 TYR H 1 37 SER H 4.520 . 4.520 4.034 3.852 4.260 . 0 0 "[ . 1 . 2]" 1
1644 1 16 TYR H 1 38 LYS HA 5.500 . 5.500 5.197 5.071 5.383 . 0 0 "[ . 1 . 2]" 1
1645 1 16 TYR H 1 41 ALA MB 4.650 . 4.650 4.339 4.174 4.493 . 0 0 "[ . 1 . 2]" 1
1646 1 17 ARG HA 1 35 TYR H 5.500 . 5.500 4.655 4.401 4.988 . 0 0 "[ . 1 . 2]" 1
1647 1 17 ARG HB3 1 34 GLY HA3 5.500 . 5.500 5.388 5.012 5.770 0.270 4 0 "[ . 1 . 2]" 1
1648 1 17 ARG QD 1 35 TYR H 4.770 . 4.770 4.557 2.551 4.900 0.130 10 0 "[ . 1 . 2]" 1
1649 1 17 ARG QG 1 34 GLY HA3 4.400 . 4.400 3.161 2.827 4.165 . 0 0 "[ . 1 . 2]" 1
1650 1 17 ARG QG 1 35 TYR H 5.200 . 5.200 3.447 3.116 4.413 . 0 0 "[ . 1 . 2]" 1
1651 1 18 TRP HA 1 45 ILE MD 5.410 . 5.410 4.540 4.438 4.639 . 0 0 "[ . 1 . 2]" 1
1652 1 18 TRP HB3 1 41 ALA MB 4.340 . 4.340 3.276 3.060 3.437 . 0 0 "[ . 1 . 2]" 1
1653 1 18 TRP HB3 1 45 ILE MD 3.210 . 3.210 2.579 2.456 2.707 . 0 0 "[ . 1 . 2]" 1
1654 1 18 TRP HB3 1 45 ILE QG 5.490 . 5.490 3.730 3.627 3.863 . 0 0 "[ . 1 . 2]" 1
1655 1 18 TRP HB2 1 31 SER QB 5.330 . 5.330 4.434 4.291 4.581 . 0 0 "[ . 1 . 2]" 1
1656 1 18 TRP HB2 1 41 ALA MB 5.250 . 5.250 4.788 4.590 4.940 . 0 0 "[ . 1 . 2]" 1
1657 1 18 TRP HB2 1 45 ILE MD 3.780 . 3.780 2.701 2.553 2.919 . 0 0 "[ . 1 . 2]" 1
1658 1 18 TRP HD1 1 31 SER QB 4.490 . 4.490 2.907 2.825 2.997 . 0 0 "[ . 1 . 2]" 1
1659 1 18 TRP HD1 1 41 ALA HA 3.830 . 3.830 2.938 2.727 3.205 . 0 0 "[ . 1 . 2]" 1
1660 1 18 TRP HD1 1 41 ALA MB 3.510 . 3.510 2.315 2.124 2.464 . 0 0 "[ . 1 . 2]" 1
1661 1 18 TRP HD1 1 42 LYS HA 4.930 . 4.930 4.204 4.117 4.355 . 0 0 "[ . 1 . 2]" 1
1662 1 18 TRP HD1 1 42 LYS HG2 5.500 . 5.500 5.232 4.984 5.580 0.080 19 0 "[ . 1 . 2]" 1
1663 1 18 TRP HD1 1 42 LYS H 4.720 . 4.720 4.631 4.529 4.714 . 0 0 "[ . 1 . 2]" 1
1664 1 18 TRP HD1 1 44 GLY QA 4.610 . 4.610 4.238 4.127 4.433 . 0 0 "[ . 1 . 2]" 1
1665 1 18 TRP HD1 1 44 GLY H 4.870 . 4.870 4.546 4.446 4.668 . 0 0 "[ . 1 . 2]" 1
1666 1 18 TRP HD1 1 45 ILE MD 3.970 . 3.970 3.083 2.973 3.202 . 0 0 "[ . 1 . 2]" 1
1667 1 18 TRP HD1 1 45 ILE H 4.180 . 4.180 4.062 3.976 4.197 0.017 6 0 "[ . 1 . 2]" 1
1668 1 18 TRP HE1 1 31 SER HA 3.310 . 3.310 3.348 3.153 3.426 0.116 11 0 "[ . 1 . 2]" 1
1669 1 18 TRP HE1 1 31 SER QB 3.140 . 3.140 2.862 2.771 2.945 . 0 0 "[ . 1 . 2]" 1
1670 1 18 TRP HE1 1 41 ALA HA 3.860 . 3.860 3.739 3.542 3.880 0.020 20 0 "[ . 1 . 2]" 1
1671 1 18 TRP HE1 1 41 ALA MB 4.690 . 4.690 4.293 4.012 4.442 . 0 0 "[ . 1 . 2]" 1
1672 1 18 TRP HE1 1 44 GLY QA 2.690 . 2.690 2.278 2.150 2.462 . 0 0 "[ . 1 . 2]" 1
1673 1 18 TRP HE1 1 44 GLY H 4.060 . 4.060 3.672 3.570 3.832 . 0 0 "[ . 1 . 2]" 1
1674 1 18 TRP HE1 1 45 ILE HA 4.150 . 4.150 3.901 3.764 4.128 . 0 0 "[ . 1 . 2]" 1
1675 1 18 TRP HE1 1 45 ILE MD 3.940 . 3.940 4.044 3.996 4.090 0.150 9 0 "[ . 1 . 2]" 1
1676 1 18 TRP HE1 1 45 ILE QG 3.220 . 3.220 2.680 2.625 2.722 . 0 0 "[ . 1 . 2]" 1
1677 1 18 TRP HE1 1 45 ILE H 3.160 . 3.160 2.939 2.857 3.000 . 0 0 "[ . 1 . 2]" 1
1678 1 18 TRP HE1 1 46 GLU H 5.500 . 5.500 5.562 5.456 5.632 0.132 3 0 "[ . 1 . 2]" 1
1679 1 18 TRP H 1 31 SER QB 3.010 . 3.010 2.213 2.008 2.370 . 0 0 "[ . 1 . 2]" 1
1680 1 19 ARG HA 1 27 ILE MD 4.730 . 4.730 4.449 4.119 4.685 . 0 0 "[ . 1 . 2]" 1
1681 1 19 ARG HA 1 27 ILE MG 4.330 . 4.330 3.868 3.647 4.262 . 0 0 "[ . 1 . 2]" 1
1682 1 19 ARG HA 1 30 ASP HA 3.230 . 3.230 2.056 1.963 2.247 . 0 0 "[ . 1 . 2]" 1
1683 1 19 ARG HA 1 30 ASP HB3 5.000 . 5.000 4.936 4.849 5.062 0.062 12 0 "[ . 1 . 2]" 1
1684 1 19 ARG HA 1 30 ASP HB2 4.780 . 4.780 3.826 3.739 3.994 . 0 0 "[ . 1 . 2]" 1
1685 1 19 ARG HA 1 30 ASP H 4.690 . 4.690 4.531 4.376 4.718 0.028 12 0 "[ . 1 . 2]" 1
1686 1 19 ARG HA 1 31 SER H 4.280 . 4.280 3.594 3.376 3.943 . 0 0 "[ . 1 . 2]" 1
1687 1 19 ARG HB3 1 27 ILE MD 2.940 . 2.940 2.254 2.123 2.456 . 0 0 "[ . 1 . 2]" 1
1688 1 19 ARG HB2 1 27 ILE MD 3.570 . 3.570 3.179 2.977 3.599 0.029 10 0 "[ . 1 . 2]" 1
1689 1 19 ARG HB2 1 30 ASP HA 4.980 . 4.980 4.650 4.371 5.021 0.041 10 0 "[ . 1 . 2]" 1
1690 1 19 ARG QD 1 27 ILE MD 3.650 . 3.650 3.248 2.113 3.699 0.049 16 0 "[ . 1 . 2]" 1
1691 1 19 ARG QD 1 27 ILE MG 4.320 . 4.320 3.600 2.004 4.382 0.062 4 0 "[ . 1 . 2]" 1
1692 1 19 ARG QD 1 30 ASP HB3 5.500 . 5.500 5.000 3.516 5.595 0.095 13 0 "[ . 1 . 2]" 1
1693 1 19 ARG QD 1 30 ASP HB2 4.840 . 4.840 3.689 2.051 4.405 . 0 0 "[ . 1 . 2]" 1
1694 1 19 ARG QD 1 31 SER H 4.850 . 4.850 4.560 3.209 5.063 0.213 15 0 "[ . 1 . 2]" 1
1695 1 19 ARG QG 1 31 SER H 3.870 . 3.870 3.492 3.200 4.139 0.269 16 0 "[ . 1 . 2]" 1
1696 1 19 ARG H 1 30 ASP HA 4.660 . 4.660 4.610 4.495 4.730 0.070 17 0 "[ . 1 . 2]" 1
1697 1 20 LEU HB2 1 28 LEU H 4.800 . 4.800 4.862 4.818 4.886 0.086 17 0 "[ . 1 . 2]" 1
1698 1 20 LEU HB2 1 29 ALA H 4.280 . 4.280 3.553 3.516 3.611 . 0 0 "[ . 1 . 2]" 1
1699 1 20 LEU HB3 1 28 LEU H 3.220 . 3.220 3.234 3.197 3.258 0.038 20 0 "[ . 1 . 2]" 1
1700 1 20 LEU HB3 1 29 ALA H 2.720 . 2.720 2.105 2.014 2.158 . 0 0 "[ . 1 . 2]" 1
1701 1 20 LEU MD1 1 28 LEU QB 4.680 . 4.680 4.079 3.953 4.161 . 0 0 "[ . 1 . 2]" 1
1702 1 20 LEU MD1 1 28 LEU MD1 3.730 . 3.730 3.168 3.083 3.227 . 0 0 "[ . 1 . 2]" 1
1703 1 20 LEU MD1 1 29 ALA MB 4.630 . 4.630 4.343 4.261 4.472 . 0 0 "[ . 1 . 2]" 1
1704 1 20 LEU MD2 1 28 LEU HA 5.210 . 5.210 4.834 4.706 4.893 . 0 0 "[ . 1 . 2]" 1
1705 1 20 LEU MD2 1 28 LEU H 4.420 . 4.420 4.426 4.355 4.474 0.054 13 0 "[ . 1 . 2]" 1
1706 1 20 LEU MD2 1 29 ALA MB 3.640 . 3.640 2.980 2.834 3.143 . 0 0 "[ . 1 . 2]" 1
1707 1 20 LEU MD2 1 29 ALA H 3.730 . 3.730 3.725 3.630 3.773 0.043 1 0 "[ . 1 . 2]" 1
1708 1 20 LEU HG 1 28 LEU MD1 4.000 . 4.000 1.741 1.719 1.761 . 0 0 "[ . 1 . 2]" 1
1709 1 20 LEU H 1 27 ILE HA 4.870 . 4.870 4.621 4.496 4.765 . 0 0 "[ . 1 . 2]" 1
1710 1 20 LEU H 1 27 ILE MG 3.640 . 3.640 3.311 3.107 3.488 . 0 0 "[ . 1 . 2]" 1
1711 1 20 LEU H 1 28 LEU MD1 5.260 . 5.260 5.011 4.904 5.154 . 0 0 "[ . 1 . 2]" 1
1712 1 20 LEU H 1 28 LEU H 4.420 . 4.420 3.820 3.703 3.986 . 0 0 "[ . 1 . 2]" 1
1713 1 20 LEU H 1 29 ALA MB 3.560 . 3.560 3.322 3.207 3.442 . 0 0 "[ . 1 . 2]" 1
1714 1 20 LEU H 1 29 ALA H 2.960 . 2.960 2.655 2.569 2.764 . 0 0 "[ . 1 . 2]" 1
1715 1 20 LEU H 1 30 ASP HA 3.490 . 3.490 3.427 3.301 3.512 0.022 10 0 "[ . 1 . 2]" 1
1716 1 20 LEU H 1 30 ASP HB2 4.700 . 4.700 4.735 4.640 4.795 0.095 1 0 "[ . 1 . 2]" 1
1717 1 20 LEU H 1 30 ASP H 4.620 . 4.620 4.577 4.488 4.670 0.050 10 0 "[ . 1 . 2]" 1
1718 1 21 VAL HA 1 26 ASN H 4.550 . 4.550 4.576 4.524 4.613 0.063 5 0 "[ . 1 . 2]" 1
1719 1 21 VAL HA 1 27 ILE HA 3.160 . 3.160 2.855 2.714 2.965 . 0 0 "[ . 1 . 2]" 1
1720 1 21 VAL HA 1 27 ILE MD 3.780 . 3.780 3.359 3.205 3.526 . 0 0 "[ . 1 . 2]" 1
1721 1 21 VAL HA 1 28 LEU H 3.410 . 3.410 3.065 2.902 3.163 . 0 0 "[ . 1 . 2]" 1
1722 1 21 VAL HA 1 29 ALA H 5.500 . 5.500 4.807 4.700 4.872 . 0 0 "[ . 1 . 2]" 1
1723 1 21 VAL QG 1 26 ASN HA 3.730 . 3.730 3.790 3.749 3.815 0.085 1 0 "[ . 1 . 2]" 1
1724 1 21 VAL QG 1 26 ASN HD22 4.960 . 4.960 4.624 4.499 4.911 . 0 0 "[ . 1 . 2]" 1
1725 1 21 VAL QG 1 26 ASN HD21 4.380 . 4.380 3.766 3.609 4.347 . 0 0 "[ . 1 . 2]" 1
1726 1 21 VAL H 1 28 LEU MD1 3.220 . 3.220 3.329 3.300 3.360 0.140 18 0 "[ . 1 . 2]" 1
1727 1 21 VAL H 1 29 ALA H 5.490 . 5.490 5.262 5.179 5.331 . 0 0 "[ . 1 . 2]" 1
1728 1 22 HIS HA 1 28 LEU HG 5.500 . 5.500 4.413 4.275 4.522 . 0 0 "[ . 1 . 2]" 1
1729 1 22 HIS HB3 1 28 LEU MD1 4.210 . 4.210 3.747 3.663 3.862 . 0 0 "[ . 1 . 2]" 1
1730 1 22 HIS HB2 1 28 LEU MD1 3.380 . 3.380 2.312 2.213 2.441 . 0 0 "[ . 1 . 2]" 1
1731 1 22 HIS HB2 1 28 LEU HG 4.060 . 4.060 3.049 2.910 3.178 . 0 0 "[ . 1 . 2]" 1
1732 1 22 HIS HD2 1 28 LEU MD1 3.190 . 3.190 2.185 2.009 2.296 . 0 0 "[ . 1 . 2]" 1
1733 1 22 HIS HD2 1 28 LEU MD2 3.320 . 3.320 2.929 2.689 3.249 . 0 0 "[ . 1 . 2]" 1
1734 1 22 HIS H 1 27 ILE HA 4.650 . 4.650 4.225 4.083 4.343 . 0 0 "[ . 1 . 2]" 1
1735 1 22 HIS H 1 28 LEU MD2 3.250 . 3.250 3.321 3.290 3.358 0.108 10 0 "[ . 1 . 2]" 1
1736 1 22 HIS H 1 28 LEU HG 3.050 . 3.050 2.692 2.606 2.778 . 0 0 "[ . 1 . 2]" 1
1737 1 31 SER HA 1 45 ILE HA 5.500 . 5.500 5.653 5.564 5.736 0.236 13 0 "[ . 1 . 2]" 1
1738 1 31 SER QB 1 41 ALA MB 4.210 . 4.210 4.068 3.840 4.223 0.013 4 0 "[ . 1 . 2]" 1
1739 1 31 SER QB 1 44 GLY H 5.500 . 5.500 5.641 5.574 5.722 0.222 11 0 "[ . 1 . 2]" 1
1740 1 35 TYR HB2 1 40 LYS QB 3.970 . 3.970 2.863 2.728 2.983 . 0 0 "[ . 1 . 2]" 1
1741 1 35 TYR QD 1 40 LYS QB 4.020 . 4.020 3.793 3.315 3.992 . 0 0 "[ . 1 . 2]" 1
1742 1 35 TYR QD 1 40 LYS HG3 4.430 . 4.430 2.988 2.554 3.449 . 0 0 "[ . 1 . 2]" 1
1743 1 35 TYR QD 1 40 LYS HG2 4.470 . 4.470 2.896 2.602 3.130 . 0 0 "[ . 1 . 2]" 1
1744 1 35 TYR QE 1 40 LYS QB 5.360 . 5.360 5.135 4.754 5.426 0.066 18 0 "[ . 1 . 2]" 1
1745 1 35 TYR H 1 40 LYS QB 5.290 . 5.290 5.248 4.954 5.415 0.125 6 0 "[ . 1 . 2]" 1
1746 1 35 TYR H 1 41 ALA MB 5.330 . 5.330 4.650 4.375 4.959 . 0 0 "[ . 1 . 2]" 1
1747 1 48 VAL MG1 1 53 PRO HD3 4.650 . 4.650 4.502 4.343 4.652 0.002 8 0 "[ . 1 . 2]" 1
1748 2 3 LYS HA 2 23 ASP H 5.100 . 5.100 4.946 4.701 5.177 0.077 11 0 "[ . 1 . 2]" 1
1749 2 3 LYS HB2 2 22 HIS HA 5.310 . 5.310 5.095 4.773 5.308 . 0 0 "[ . 1 . 2]" 1
1750 2 4 ALA HA 2 20 LEU MD1 4.420 . 4.420 4.279 4.176 4.421 0.001 12 0 "[ . 1 . 2]" 1
1751 2 4 ALA HA 2 22 HIS HA 3.100 . 3.100 2.478 2.401 2.690 . 0 0 "[ . 1 . 2]" 1
1752 2 4 ALA MB 2 20 LEU MD1 2.980 . 2.980 2.408 2.292 2.639 . 0 0 "[ . 1 . 2]" 1
1753 2 4 ALA MB 2 22 HIS HA 3.110 . 3.110 2.330 2.243 2.452 . 0 0 "[ . 1 . 2]" 1
1754 2 4 ALA MB 2 22 HIS HB2 4.080 . 4.080 4.006 3.911 4.099 0.019 14 0 "[ . 1 . 2]" 1
1755 2 4 ALA MB 2 23 ASP H 4.120 . 4.120 3.829 3.641 3.987 . 0 0 "[ . 1 . 2]" 1
1756 2 4 ALA H 2 22 HIS HA 4.900 . 4.900 4.768 4.668 4.933 0.033 11 0 "[ . 1 . 2]" 1
1757 2 5 HIS HA 2 20 LEU MD1 4.080 . 4.080 3.041 2.956 3.105 . 0 0 "[ . 1 . 2]" 1
1758 2 5 HIS HA 2 21 VAL H 4.930 . 4.930 4.887 4.805 4.949 0.019 15 0 "[ . 1 . 2]" 1
1759 2 5 HIS H 2 20 LEU HA 4.500 . 4.500 4.226 4.080 4.365 . 0 0 "[ . 1 . 2]" 1
1760 2 5 HIS H 2 20 LEU MD1 2.930 . 2.930 2.561 2.496 2.635 . 0 0 "[ . 1 . 2]" 1
1761 2 5 HIS H 2 20 LEU MD2 4.480 . 4.480 4.502 4.395 4.591 0.111 16 0 "[ . 1 . 2]" 1
1762 2 5 HIS H 2 21 VAL HB 4.450 . 4.450 4.051 3.935 4.172 . 0 0 "[ . 1 . 2]" 1
1763 2 5 HIS H 2 21 VAL H 2.840 . 2.840 2.794 2.651 2.888 0.048 12 0 "[ . 1 . 2]" 1
1764 2 5 HIS H 2 28 LEU MD1 3.890 . 3.890 3.930 3.885 3.977 0.087 15 0 "[ . 1 . 2]" 1
1765 2 6 PHE HA 2 20 LEU HA 3.180 . 3.180 2.455 2.305 2.542 . 0 0 "[ . 1 . 2]" 1
1766 2 6 PHE HA 2 20 LEU MD1 3.510 . 3.510 2.494 2.366 2.590 . 0 0 "[ . 1 . 2]" 1
1767 2 6 PHE HA 2 21 VAL QG 4.110 . 4.110 4.170 4.059 4.211 0.101 9 0 "[ . 1 . 2]" 1
1768 2 6 PHE HA 2 21 VAL H 3.870 . 3.870 3.674 3.499 3.805 . 0 0 "[ . 1 . 2]" 1
1769 2 6 PHE HA 2 45 ILE MD 5.500 . 5.500 4.601 4.439 4.739 . 0 0 "[ . 1 . 2]" 1
1770 2 6 PHE HB3 2 18 TRP HB2 4.350 . 4.350 3.513 3.441 3.620 . 0 0 "[ . 1 . 2]" 1
1771 2 6 PHE HB3 2 20 LEU MD1 4.980 . 4.980 4.102 4.033 4.195 . 0 0 "[ . 1 . 2]" 1
1772 2 6 PHE HB3 2 45 ILE MD 3.330 . 3.330 2.381 2.245 2.519 . 0 0 "[ . 1 . 2]" 1
1773 2 6 PHE HB2 2 45 ILE MD 4.190 . 4.190 3.119 2.983 3.267 . 0 0 "[ . 1 . 2]" 1
1774 2 6 PHE HB2 2 45 ILE QG 5.190 . 5.190 4.366 4.208 4.547 . 0 0 "[ . 1 . 2]" 1
1775 2 6 PHE QD 2 18 TRP HB2 4.560 . 4.560 3.625 3.526 3.734 . 0 0 "[ . 1 . 2]" 1
1776 2 6 PHE QD 2 19 ARG HA 4.200 . 4.200 4.271 4.196 4.356 0.156 12 0 "[ . 1 . 2]" 1
1777 2 6 PHE QD 2 19 ARG H 4.720 . 4.720 4.025 3.873 4.136 . 0 0 "[ . 1 . 2]" 1
1778 2 6 PHE QD 2 20 LEU HA 4.010 . 4.010 3.143 3.039 3.241 . 0 0 "[ . 1 . 2]" 1
1779 2 6 PHE QD 2 20 LEU HB2 3.770 . 3.770 2.972 2.843 3.077 . 0 0 "[ . 1 . 2]" 1
1780 2 6 PHE QD 2 20 LEU HB3 4.780 . 4.780 4.549 4.429 4.646 . 0 0 "[ . 1 . 2]" 1
1781 2 6 PHE QD 2 20 LEU MD1 3.680 . 3.680 2.863 2.833 2.911 . 0 0 "[ . 1 . 2]" 1
1782 2 6 PHE QD 2 20 LEU MD2 4.230 . 4.230 4.161 4.050 4.229 . 0 0 "[ . 1 . 2]" 1
1783 2 6 PHE QD 2 20 LEU H 4.150 . 4.150 4.007 3.914 4.124 . 0 0 "[ . 1 . 2]" 1
1784 2 6 PHE QD 2 45 ILE HA 4.970 . 4.970 4.877 4.752 4.978 0.008 6 0 "[ . 1 . 2]" 1
1785 2 6 PHE QD 2 45 ILE MD 4.170 . 4.170 3.509 3.339 3.627 . 0 0 "[ . 1 . 2]" 1
1786 2 6 PHE QD 2 45 ILE MG 3.550 . 3.550 2.718 2.665 2.758 . 0 0 "[ . 1 . 2]" 1
1787 2 6 PHE QD 2 48 VAL MG1 4.920 . 4.920 4.555 4.416 4.801 . 0 0 "[ . 1 . 2]" 1
1788 2 6 PHE H 2 20 LEU MD1 3.460 . 3.460 3.234 3.201 3.267 . 0 0 "[ . 1 . 2]" 1
1789 2 6 PHE H 2 20 LEU MD2 5.500 . 5.500 5.598 5.565 5.655 0.155 14 0 "[ . 1 . 2]" 1
1790 2 6 PHE H 2 45 ILE MG 4.940 . 4.940 4.811 4.692 4.931 . 0 0 "[ . 1 . 2]" 1
1791 2 7 GLU HA 2 18 TRP HA 5.500 . 5.500 5.383 5.353 5.446 . 0 0 "[ . 1 . 2]" 1
1792 2 7 GLU HA 2 18 TRP HB2 5.110 . 5.110 4.809 4.719 4.871 . 0 0 "[ . 1 . 2]" 1
1793 2 7 GLU HA 2 45 ILE MD 5.500 . 5.500 4.819 4.700 4.929 . 0 0 "[ . 1 . 2]" 1
1794 2 7 GLU HG3 2 21 VAL HB 5.080 . 5.080 4.345 4.054 4.605 . 0 0 "[ . 1 . 2]" 1
1795 2 7 GLU H 2 18 TRP HA 4.550 . 4.550 4.330 4.260 4.441 . 0 0 "[ . 1 . 2]" 1
1796 2 7 GLU H 2 18 TRP HB2 3.760 . 3.760 3.166 3.079 3.225 . 0 0 "[ . 1 . 2]" 1
1797 2 7 GLU H 2 20 LEU MD1 4.490 . 4.490 4.352 4.279 4.445 . 0 0 "[ . 1 . 2]" 1
1798 2 7 GLU H 2 45 ILE MD 4.480 . 4.480 4.215 4.089 4.327 . 0 0 "[ . 1 . 2]" 1
1799 2 7 GLU H 2 45 ILE MG 5.500 . 5.500 5.520 5.474 5.548 0.048 3 0 "[ . 1 . 2]" 1
1800 2 8 VAL HA 2 18 TRP HA 3.330 . 3.330 2.305 2.195 2.391 . 0 0 "[ . 1 . 2]" 1
1801 2 8 VAL HA 2 18 TRP HB3 3.720 . 3.720 2.338 2.182 2.420 . 0 0 "[ . 1 . 2]" 1
1802 2 8 VAL HA 2 18 TRP HB2 4.010 . 4.010 3.162 3.107 3.203 . 0 0 "[ . 1 . 2]" 1
1803 2 8 VAL HA 2 18 TRP HD1 5.500 . 5.500 4.639 4.449 4.743 . 0 0 "[ . 1 . 2]" 1
1804 2 8 VAL HA 2 18 TRP H 4.550 . 4.550 4.532 4.491 4.576 0.026 16 0 "[ . 1 . 2]" 1
1805 2 8 VAL HA 2 19 ARG H 3.930 . 3.930 3.931 3.731 4.011 0.081 10 0 "[ . 1 . 2]" 1
1806 2 8 VAL HA 2 41 ALA MB 4.710 . 4.710 4.081 3.923 4.375 . 0 0 "[ . 1 . 2]" 1
1807 2 8 VAL HA 2 45 ILE MD 4.420 . 4.420 4.094 4.046 4.181 . 0 0 "[ . 1 . 2]" 1
1808 2 8 VAL HB 2 18 TRP HB2 5.260 . 5.260 5.344 5.298 5.375 0.115 18 0 "[ . 1 . 2]" 1
1809 2 8 VAL MG2 2 18 TRP HA 4.350 . 4.350 3.658 3.590 3.761 . 0 0 "[ . 1 . 2]" 1
1810 2 8 VAL MG2 2 18 TRP HB3 3.760 . 3.760 1.871 1.838 1.911 . 0 0 "[ . 1 . 2]" 1
1811 2 8 VAL MG2 2 18 TRP HB2 3.340 . 3.340 2.960 2.906 3.001 . 0 0 "[ . 1 . 2]" 1
1812 2 8 VAL MG2 2 18 TRP HD1 4.240 . 4.240 3.046 2.819 3.174 . 0 0 "[ . 1 . 2]" 1
1813 2 8 VAL MG2 2 18 TRP H 4.730 . 4.730 4.794 4.768 4.833 0.103 12 0 "[ . 1 . 2]" 1
1814 2 8 VAL MG2 2 19 ARG H 4.700 . 4.700 4.548 4.347 4.635 . 0 0 "[ . 1 . 2]" 1
1815 2 8 VAL MG2 2 45 ILE MD 2.890 . 2.890 2.113 2.009 2.195 . 0 0 "[ . 1 . 2]" 1
1816 2 8 VAL MG2 2 45 ILE MG 4.730 . 4.730 4.506 4.419 4.625 . 0 0 "[ . 1 . 2]" 1
1817 2 8 VAL MG1 2 16 TYR HA 4.040 . 4.040 3.564 3.386 3.834 . 0 0 "[ . 1 . 2]" 1
1818 2 8 VAL MG1 2 16 TYR HB3 4.100 . 4.100 2.778 2.543 3.125 . 0 0 "[ . 1 . 2]" 1
1819 2 8 VAL MG1 2 17 ARG H 4.550 . 4.550 3.222 3.061 3.447 . 0 0 "[ . 1 . 2]" 1
1820 2 8 VAL MG1 2 18 TRP HB2 5.000 . 5.000 4.548 4.417 4.683 . 0 0 "[ . 1 . 2]" 1
1821 2 8 VAL MG1 2 18 TRP HD1 4.910 . 4.910 3.967 3.588 4.249 . 0 0 "[ . 1 . 2]" 1
1822 2 8 VAL MG1 2 41 ALA H 5.500 . 5.500 4.567 4.323 4.851 . 0 0 "[ . 1 . 2]" 1
1823 2 8 VAL MG1 2 42 LYS H 4.970 . 4.970 3.994 3.794 4.245 . 0 0 "[ . 1 . 2]" 1
1824 2 8 VAL H 2 18 TRP HA 4.820 . 4.820 4.693 4.660 4.779 . 0 0 "[ . 1 . 2]" 1
1825 2 8 VAL H 2 18 TRP HB3 4.530 . 4.530 4.427 4.319 4.535 0.005 9 0 "[ . 1 . 2]" 1
1826 2 8 VAL H 2 18 TRP HB2 4.590 . 4.590 4.531 4.450 4.598 0.008 9 0 "[ . 1 . 2]" 1
1827 2 8 VAL H 2 45 ILE MD 4.590 . 4.590 4.441 4.365 4.552 . 0 0 "[ . 1 . 2]" 1
1828 2 9 PHE QD 2 18 TRP HA 3.450 . 3.450 2.423 2.260 2.548 . 0 0 "[ . 1 . 2]" 1
1829 2 9 PHE QD 2 18 TRP HB3 4.770 . 4.770 4.486 4.357 4.624 . 0 0 "[ . 1 . 2]" 1
1830 2 9 PHE QD 2 19 ARG HB2 5.080 . 5.080 4.486 4.152 4.863 . 0 0 "[ . 1 . 2]" 1
1831 2 9 PHE QD 2 19 ARG QG 4.910 . 4.910 4.440 3.388 5.163 0.253 10 0 "[ . 1 . 2]" 1
1832 2 9 PHE QD 2 19 ARG H 4.360 . 4.360 3.926 3.739 4.089 . 0 0 "[ . 1 . 2]" 1
1833 2 9 PHE QE 2 17 ARG HB2 4.330 . 4.330 2.744 2.510 2.966 . 0 0 "[ . 1 . 2]" 1
1834 2 9 PHE QE 2 17 ARG QG 5.170 . 5.170 4.296 4.022 4.461 . 0 0 "[ . 1 . 2]" 1
1835 2 9 PHE QE 2 18 TRP HA 3.770 . 3.770 2.995 2.706 3.215 . 0 0 "[ . 1 . 2]" 1
1836 2 9 PHE QE 2 18 TRP H 3.510 . 3.510 3.334 3.053 3.535 0.025 5 0 "[ . 1 . 2]" 1
1837 2 9 PHE QE 2 19 ARG HB2 4.350 . 4.350 3.993 3.581 4.499 0.149 10 0 "[ . 1 . 2]" 1
1838 2 9 PHE QE 2 19 ARG QG 4.020 . 4.020 2.815 2.108 3.825 . 0 0 "[ . 1 . 2]" 1
1839 2 9 PHE QE 2 19 ARG H 4.790 . 4.790 4.118 3.766 4.439 . 0 0 "[ . 1 . 2]" 1
1840 2 9 PHE H 2 17 ARG H 3.380 . 3.380 2.924 2.808 3.053 . 0 0 "[ . 1 . 2]" 1
1841 2 9 PHE H 2 18 TRP HA 3.090 . 3.090 3.076 2.880 3.157 0.067 10 0 "[ . 1 . 2]" 1
1842 2 9 PHE H 2 18 TRP HB3 4.970 . 4.970 3.983 3.875 4.061 . 0 0 "[ . 1 . 2]" 1
1843 2 9 PHE H 2 18 TRP H 4.650 . 4.650 4.648 4.536 4.726 0.076 4 0 "[ . 1 . 2]" 1
1844 2 10 VAL HA 2 16 TYR HA 3.120 . 3.120 2.787 2.669 2.913 . 0 0 "[ . 1 . 2]" 1
1845 2 10 VAL HA 2 17 ARG HB2 5.500 . 5.500 5.045 4.718 5.436 . 0 0 "[ . 1 . 2]" 1
1846 2 10 VAL HA 2 17 ARG QG 4.250 . 4.250 4.248 4.180 4.304 0.054 7 0 "[ . 1 . 2]" 1
1847 2 10 VAL HA 2 17 ARG H 3.610 . 3.610 3.410 3.235 3.626 0.016 15 0 "[ . 1 . 2]" 1
1848 2 10 VAL HB 2 16 TYR HA 5.500 . 5.500 5.468 5.336 5.560 0.060 17 0 "[ . 1 . 2]" 1
1849 2 10 VAL MG2 2 15 LYS HA 4.990 . 4.990 4.370 3.982 4.545 . 0 0 "[ . 1 . 2]" 1
1850 2 10 VAL MG2 2 15 LYS H 3.960 . 3.960 3.970 3.501 4.069 0.109 4 0 "[ . 1 . 2]" 1
1851 2 10 VAL MG2 2 16 TYR HA 3.730 . 3.730 3.298 3.058 3.505 . 0 0 "[ . 1 . 2]" 1
1852 2 10 VAL MG2 2 16 TYR HB3 5.010 . 5.010 4.754 4.498 5.035 0.025 15 0 "[ . 1 . 2]" 1
1853 2 10 VAL MG2 2 16 TYR QE 3.580 . 3.580 3.129 2.737 3.488 . 0 0 "[ . 1 . 2]" 1
1854 2 10 VAL MG2 2 16 TYR H 4.970 . 4.970 4.623 4.394 4.811 . 0 0 "[ . 1 . 2]" 1
1855 2 10 VAL MG1 2 15 LYS H 2.910 . 2.910 2.679 2.569 2.877 . 0 0 "[ . 1 . 2]" 1
1856 2 10 VAL MG1 2 16 TYR HA 5.110 . 5.110 4.638 4.423 5.057 . 0 0 "[ . 1 . 2]" 1
1857 2 10 VAL H 2 17 ARG H 5.360 . 5.360 4.888 4.809 4.949 . 0 0 "[ . 1 . 2]" 1
1858 2 11 ASP HB3 2 16 TYR H 5.500 . 5.500 5.528 5.420 5.583 0.083 15 0 "[ . 1 . 2]" 1
1859 2 15 LYS HA 2 35 TYR H 4.560 . 4.560 4.031 3.776 4.246 . 0 0 "[ . 1 . 2]" 1
1860 2 15 LYS HB3 2 34 GLY HA2 3.630 . 3.630 3.400 2.913 3.655 0.025 1 0 "[ . 1 . 2]" 1
1861 2 15 LYS HB3 2 35 TYR H 4.240 . 4.240 2.543 2.443 2.693 . 0 0 "[ . 1 . 2]" 1
1862 2 15 LYS HB2 2 35 TYR H 4.390 . 4.390 3.860 3.479 4.270 . 0 0 "[ . 1 . 2]" 1
1863 2 15 LYS QG 2 35 TYR H . . 5.120 4.567 4.331 4.711 . 0 0 "[ . 1 . 2]" 1
1864 2 16 TYR HA 2 41 ALA MB 3.830 . 3.830 3.852 3.739 3.953 0.123 3 0 "[ . 1 . 2]" 1
1865 2 16 TYR HB3 2 35 TYR H 5.500 . 5.500 5.255 4.813 5.699 0.199 19 0 "[ . 1 . 2]" 1
1866 2 16 TYR HB3 2 41 ALA MB 3.360 . 3.360 2.192 2.086 2.320 . 0 0 "[ . 1 . 2]" 1
1867 2 16 TYR HB3 2 41 ALA H 3.900 . 3.900 3.922 3.855 3.963 0.063 10 0 "[ . 1 . 2]" 1
1868 2 16 TYR HB2 2 35 TYR H 4.630 . 4.630 3.994 3.682 4.444 . 0 0 "[ . 1 . 2]" 1
1869 2 16 TYR HB2 2 37 SER H 4.090 . 4.090 3.460 3.010 3.896 . 0 0 "[ . 1 . 2]" 1
1870 2 16 TYR HB2 2 38 LYS HB3 5.290 . 5.290 4.730 4.559 5.021 . 0 0 "[ . 1 . 2]" 1
1871 2 16 TYR HB2 2 38 LYS H 4.850 . 4.850 4.356 4.033 4.591 . 0 0 "[ . 1 . 2]" 1
1872 2 16 TYR HB2 2 41 ALA MB 3.480 . 3.480 2.672 2.366 2.961 . 0 0 "[ . 1 . 2]" 1
1873 2 16 TYR QE 2 36 ALA MB 4.530 . 4.530 4.235 3.811 4.570 0.040 6 0 "[ . 1 . 2]" 1
1874 2 16 TYR QE 2 37 SER HA 3.420 . 3.420 3.324 3.163 3.447 0.027 10 0 "[ . 1 . 2]" 1
1875 2 16 TYR QE 2 37 SER HB3 5.500 . 5.500 5.535 5.380 5.630 0.130 5 0 "[ . 1 . 2]" 1
1876 2 16 TYR QE 2 38 LYS HA 4.160 . 4.160 4.113 3.900 4.249 0.089 19 0 "[ . 1 . 2]" 1
1877 2 16 TYR QE 2 38 LYS HB3 3.290 . 3.290 2.882 2.569 3.166 . 0 0 "[ . 1 . 2]" 1
1878 2 16 TYR QE 2 38 LYS HB2 4.690 . 4.690 3.939 3.750 4.167 . 0 0 "[ . 1 . 2]" 1
1879 2 16 TYR QE 2 38 LYS QD 4.050 . 4.050 3.943 3.676 4.171 0.121 5 0 "[ . 1 . 2]" 1
1880 2 16 TYR QE 2 38 LYS QE 3.730 . 3.730 3.501 2.379 3.804 0.074 2 0 "[ . 1 . 2]" 1
1881 2 16 TYR QE 2 38 LYS H 3.580 . 3.580 3.618 3.520 3.719 0.139 19 0 "[ . 1 . 2]" 1
1882 2 16 TYR H 2 34 GLY HA3 5.330 . 5.330 5.114 4.623 5.498 0.168 5 0 "[ . 1 . 2]" 1
1883 2 16 TYR H 2 35 TYR H 2.910 . 2.910 2.737 2.499 3.014 0.104 18 0 "[ . 1 . 2]" 1
1884 2 16 TYR H 2 37 SER H 4.520 . 4.520 4.019 3.910 4.302 . 0 0 "[ . 1 . 2]" 1
1885 2 16 TYR H 2 38 LYS HA 5.500 . 5.500 5.239 5.037 5.460 . 0 0 "[ . 1 . 2]" 1
1886 2 16 TYR H 2 41 ALA MB 4.650 . 4.650 4.344 4.068 4.598 . 0 0 "[ . 1 . 2]" 1
1887 2 17 ARG HA 2 35 TYR H 5.500 . 5.500 4.644 4.087 5.075 . 0 0 "[ . 1 . 2]" 1
1888 2 17 ARG HB3 2 34 GLY HA3 5.500 . 5.500 5.493 5.041 5.761 0.261 5 0 "[ . 1 . 2]" 1
1889 2 17 ARG QD 2 35 TYR H 4.770 . 4.770 4.296 2.432 4.883 0.113 14 0 "[ . 1 . 2]" 1
1890 2 17 ARG QG 2 34 GLY HA3 4.400 . 4.400 3.277 2.651 4.129 . 0 0 "[ . 1 . 2]" 1
1891 2 17 ARG QG 2 35 TYR H 5.200 . 5.200 3.591 3.158 4.432 . 0 0 "[ . 1 . 2]" 1
1892 2 18 TRP HA 2 45 ILE MD 5.410 . 5.410 4.549 4.480 4.706 . 0 0 "[ . 1 . 2]" 1
1893 2 18 TRP HB3 2 41 ALA MB 4.340 . 4.340 3.276 3.091 3.586 . 0 0 "[ . 1 . 2]" 1
1894 2 18 TRP HB3 2 45 ILE MD 3.210 . 3.210 2.586 2.508 2.723 . 0 0 "[ . 1 . 2]" 1
1895 2 18 TRP HB3 2 45 ILE QG 5.490 . 5.490 3.736 3.648 3.868 . 0 0 "[ . 1 . 2]" 1
1896 2 18 TRP HB2 2 31 SER QB 5.330 . 5.330 4.470 4.348 4.621 . 0 0 "[ . 1 . 2]" 1
1897 2 18 TRP HB2 2 41 ALA MB 5.250 . 5.250 4.784 4.600 5.038 . 0 0 "[ . 1 . 2]" 1
1898 2 18 TRP HB2 2 45 ILE MD 3.780 . 3.780 2.704 2.577 2.878 . 0 0 "[ . 1 . 2]" 1
1899 2 18 TRP HD1 2 31 SER QB 4.490 . 4.490 2.922 2.833 3.024 . 0 0 "[ . 1 . 2]" 1
1900 2 18 TRP HD1 2 41 ALA HA 3.830 . 3.830 2.957 2.807 3.380 . 0 0 "[ . 1 . 2]" 1
1901 2 18 TRP HD1 2 41 ALA MB 3.510 . 3.510 2.300 2.111 2.479 . 0 0 "[ . 1 . 2]" 1
1902 2 18 TRP HD1 2 42 LYS HA 4.930 . 4.930 4.234 4.051 4.346 . 0 0 "[ . 1 . 2]" 1
1903 2 18 TRP HD1 2 42 LYS HG2 5.500 . 5.500 5.263 4.959 5.541 0.041 19 0 "[ . 1 . 2]" 1
1904 2 18 TRP HD1 2 42 LYS H 4.720 . 4.720 4.649 4.551 4.710 . 0 0 "[ . 1 . 2]" 1
1905 2 18 TRP HD1 2 44 GLY QA 4.610 . 4.610 4.278 4.183 4.433 . 0 0 "[ . 1 . 2]" 1
1906 2 18 TRP HD1 2 44 GLY H 4.870 . 4.870 4.570 4.510 4.714 . 0 0 "[ . 1 . 2]" 1
1907 2 18 TRP HD1 2 45 ILE MD 3.970 . 3.970 3.069 3.012 3.118 . 0 0 "[ . 1 . 2]" 1
1908 2 18 TRP HD1 2 45 ILE H 4.180 . 4.180 4.083 3.996 4.185 0.005 10 0 "[ . 1 . 2]" 1
1909 2 18 TRP HE1 2 31 SER HA 3.310 . 3.310 3.358 3.164 3.432 0.122 6 0 "[ . 1 . 2]" 1
1910 2 18 TRP HE1 2 31 SER QB 3.140 . 3.140 2.860 2.792 2.967 . 0 0 "[ . 1 . 2]" 1
1911 2 18 TRP HE1 2 41 ALA HA 3.860 . 3.860 3.742 3.629 3.881 0.021 6 0 "[ . 1 . 2]" 1
1912 2 18 TRP HE1 2 41 ALA MB 4.690 . 4.690 4.277 4.115 4.425 . 0 0 "[ . 1 . 2]" 1
1913 2 18 TRP HE1 2 44 GLY QA 2.690 . 2.690 2.313 2.220 2.557 . 0 0 "[ . 1 . 2]" 1
1914 2 18 TRP HE1 2 44 GLY H 4.060 . 4.060 3.682 3.540 3.864 . 0 0 "[ . 1 . 2]" 1
1915 2 18 TRP HE1 2 45 ILE HA 4.150 . 4.150 3.890 3.737 4.072 . 0 0 "[ . 1 . 2]" 1
1916 2 18 TRP HE1 2 45 ILE MD 3.940 . 3.940 4.034 3.966 4.087 0.147 19 0 "[ . 1 . 2]" 1
1917 2 18 TRP HE1 2 45 ILE QG 3.220 . 3.220 2.670 2.625 2.719 . 0 0 "[ . 1 . 2]" 1
1918 2 18 TRP HE1 2 45 ILE H 3.160 . 3.160 2.948 2.895 2.987 . 0 0 "[ . 1 . 2]" 1
1919 2 18 TRP HE1 2 46 GLU H 5.500 . 5.500 5.583 5.516 5.635 0.135 8 0 "[ . 1 . 2]" 1
1920 2 18 TRP H 2 31 SER QB 3.010 . 3.010 2.279 2.095 2.401 . 0 0 "[ . 1 . 2]" 1
1921 2 19 ARG HA 2 27 ILE MD 4.730 . 4.730 4.474 4.285 4.599 . 0 0 "[ . 1 . 2]" 1
1922 2 19 ARG HA 2 27 ILE MG 4.330 . 4.330 3.865 3.633 4.037 . 0 0 "[ . 1 . 2]" 1
1923 2 19 ARG HA 2 30 ASP HA 3.230 . 3.230 2.054 1.966 2.205 . 0 0 "[ . 1 . 2]" 1
1924 2 19 ARG HA 2 30 ASP HB3 5.000 . 5.000 4.926 4.853 5.046 0.046 12 0 "[ . 1 . 2]" 1
1925 2 19 ARG HA 2 30 ASP HB2 4.780 . 4.780 3.807 3.705 3.963 . 0 0 "[ . 1 . 2]" 1
1926 2 19 ARG HA 2 30 ASP H 4.690 . 4.690 4.534 4.392 4.693 0.003 12 0 "[ . 1 . 2]" 1
1927 2 19 ARG HA 2 31 SER H 4.280 . 4.280 3.617 3.456 3.777 . 0 0 "[ . 1 . 2]" 1
1928 2 19 ARG HB3 2 27 ILE MD 2.940 . 2.940 2.249 2.077 2.441 . 0 0 "[ . 1 . 2]" 1
1929 2 19 ARG HB2 2 27 ILE MD 3.570 . 3.570 3.157 2.872 3.611 0.041 12 0 "[ . 1 . 2]" 1
1930 2 19 ARG HB2 2 30 ASP HA 4.980 . 4.980 4.636 4.427 5.022 0.042 16 0 "[ . 1 . 2]" 1
1931 2 19 ARG QD 2 27 ILE MD 3.650 . 3.650 3.384 2.176 3.705 0.055 4 0 "[ . 1 . 2]" 1
1932 2 19 ARG QD 2 27 ILE MG 4.320 . 4.320 3.829 2.050 4.397 0.077 10 0 "[ . 1 . 2]" 1
1933 2 19 ARG QD 2 30 ASP HB3 5.500 . 5.500 5.250 3.652 5.814 0.314 10 0 "[ . 1 . 2]" 1
1934 2 19 ARG QD 2 30 ASP HB2 4.840 . 4.840 3.958 2.165 4.670 . 0 0 "[ . 1 . 2]" 1
1935 2 19 ARG QD 2 31 SER H 4.850 . 4.850 4.745 3.638 5.058 0.208 14 0 "[ . 1 . 2]" 1
1936 2 19 ARG QG 2 31 SER H 3.870 . 3.870 3.410 3.158 4.189 0.319 16 0 "[ . 1 . 2]" 1
1937 2 19 ARG H 2 30 ASP HA 4.660 . 4.660 4.610 4.497 4.697 0.037 5 0 "[ . 1 . 2]" 1
1938 2 20 LEU HB2 2 28 LEU H 4.800 . 4.800 4.857 4.828 4.892 0.092 17 0 "[ . 1 . 2]" 1
1939 2 20 LEU HB2 2 29 ALA H 4.280 . 4.280 3.553 3.474 3.614 . 0 0 "[ . 1 . 2]" 1
1940 2 20 LEU HB3 2 28 LEU H 3.220 . 3.220 3.230 3.204 3.257 0.037 17 0 "[ . 1 . 2]" 1
1941 2 20 LEU HB3 2 29 ALA H 2.720 . 2.720 2.116 2.014 2.185 . 0 0 "[ . 1 . 2]" 1
1942 2 20 LEU MD1 2 28 LEU QB 4.680 . 4.680 4.088 3.995 4.164 . 0 0 "[ . 1 . 2]" 1
1943 2 20 LEU MD1 2 28 LEU MD1 3.730 . 3.730 3.171 3.101 3.218 . 0 0 "[ . 1 . 2]" 1
1944 2 20 LEU MD1 2 29 ALA MB 4.630 . 4.630 4.362 4.229 4.441 . 0 0 "[ . 1 . 2]" 1
1945 2 20 LEU MD2 2 28 LEU HA 5.210 . 5.210 4.845 4.762 4.922 . 0 0 "[ . 1 . 2]" 1
1946 2 20 LEU MD2 2 28 LEU H 4.420 . 4.420 4.438 4.342 4.475 0.055 14 0 "[ . 1 . 2]" 1
1947 2 20 LEU MD2 2 29 ALA MB 3.640 . 3.640 2.996 2.842 3.103 . 0 0 "[ . 1 . 2]" 1
1948 2 20 LEU MD2 2 29 ALA H 3.730 . 3.730 3.725 3.599 3.783 0.053 13 0 "[ . 1 . 2]" 1
1949 2 20 LEU HG 2 28 LEU MD1 4.000 . 4.000 1.740 1.726 1.753 . 0 0 "[ . 1 . 2]" 1
1950 2 20 LEU H 2 27 ILE HA 4.870 . 4.870 4.619 4.476 4.743 . 0 0 "[ . 1 . 2]" 1
1951 2 20 LEU H 2 27 ILE MG 3.640 . 3.640 3.328 3.097 3.486 . 0 0 "[ . 1 . 2]" 1
1952 2 20 LEU H 2 28 LEU MD1 5.260 . 5.260 4.979 4.885 5.074 . 0 0 "[ . 1 . 2]" 1
1953 2 20 LEU H 2 28 LEU H 4.420 . 4.420 3.799 3.708 3.927 . 0 0 "[ . 1 . 2]" 1
1954 2 20 LEU H 2 29 ALA MB 3.560 . 3.560 3.333 3.188 3.439 . 0 0 "[ . 1 . 2]" 1
1955 2 20 LEU H 2 29 ALA H 2.960 . 2.960 2.650 2.555 2.745 . 0 0 "[ . 1 . 2]" 1
1956 2 20 LEU H 2 30 ASP HA 3.490 . 3.490 3.439 3.348 3.523 0.033 10 0 "[ . 1 . 2]" 1
1957 2 20 LEU H 2 30 ASP HB2 4.700 . 4.700 4.735 4.693 4.781 0.081 10 0 "[ . 1 . 2]" 1
1958 2 20 LEU H 2 30 ASP H 4.620 . 4.620 4.603 4.509 4.671 0.051 18 0 "[ . 1 . 2]" 1
1959 2 21 VAL HA 2 26 ASN H 4.550 . 4.550 4.578 4.530 4.611 0.061 11 0 "[ . 1 . 2]" 1
1960 2 21 VAL HA 2 27 ILE HA 3.160 . 3.160 2.877 2.789 3.030 . 0 0 "[ . 1 . 2]" 1
1961 2 21 VAL HA 2 27 ILE MD 3.780 . 3.780 3.373 3.230 3.540 . 0 0 "[ . 1 . 2]" 1
1962 2 21 VAL HA 2 28 LEU H 3.410 . 3.410 3.098 2.950 3.239 . 0 0 "[ . 1 . 2]" 1
1963 2 21 VAL HA 2 29 ALA H 5.500 . 5.500 4.833 4.713 4.927 . 0 0 "[ . 1 . 2]" 1
1964 2 21 VAL QG 2 26 ASN HA 3.730 . 3.730 3.802 3.745 3.831 0.101 9 0 "[ . 1 . 2]" 1
1965 2 21 VAL QG 2 26 ASN HD22 4.960 . 4.960 4.638 4.425 4.778 . 0 0 "[ . 1 . 2]" 1
1966 2 21 VAL QG 2 26 ASN HD21 4.380 . 4.380 3.779 3.518 4.259 . 0 0 "[ . 1 . 2]" 1
1967 2 21 VAL H 2 28 LEU MD1 3.220 . 3.220 3.319 3.280 3.355 0.135 19 0 "[ . 1 . 2]" 1
1968 2 21 VAL H 2 29 ALA H 5.490 . 5.490 5.287 5.223 5.369 . 0 0 "[ . 1 . 2]" 1
1969 2 22 HIS HA 2 28 LEU HG 5.500 . 5.500 4.472 4.310 4.578 . 0 0 "[ . 1 . 2]" 1
1970 2 22 HIS HB3 2 28 LEU MD1 4.210 . 4.210 3.752 3.681 3.891 . 0 0 "[ . 1 . 2]" 1
1971 2 22 HIS HB2 2 28 LEU MD1 3.380 . 3.380 2.310 2.247 2.431 . 0 0 "[ . 1 . 2]" 1
1972 2 22 HIS HB2 2 28 LEU HG 4.060 . 4.060 3.075 2.881 3.214 . 0 0 "[ . 1 . 2]" 1
1973 2 22 HIS HD2 2 28 LEU MD1 3.190 . 3.190 2.161 1.938 2.472 . 0 0 "[ . 1 . 2]" 1
1974 2 22 HIS HD2 2 28 LEU MD2 3.320 . 3.320 2.924 2.663 3.272 . 0 0 "[ . 1 . 2]" 1
1975 2 22 HIS H 2 27 ILE HA 4.650 . 4.650 4.247 4.156 4.356 . 0 0 "[ . 1 . 2]" 1
1976 2 22 HIS H 2 28 LEU MD2 3.250 . 3.250 3.323 3.297 3.363 0.113 20 0 "[ . 1 . 2]" 1
1977 2 22 HIS H 2 28 LEU HG 3.050 . 3.050 2.735 2.668 2.816 . 0 0 "[ . 1 . 2]" 1
1978 2 31 SER HA 2 45 ILE HA 5.500 . 5.500 5.654 5.545 5.733 0.233 13 0 "[ . 1 . 2]" 1
1979 2 31 SER QB 2 41 ALA MB 4.210 . 4.210 4.072 3.881 4.250 0.040 5 0 "[ . 1 . 2]" 1
1980 2 31 SER QB 2 44 GLY H 5.500 . 5.500 5.651 5.590 5.725 0.225 6 0 "[ . 1 . 2]" 1
1981 2 35 TYR HB2 2 40 LYS QB 3.970 . 3.970 2.836 2.679 3.038 . 0 0 "[ . 1 . 2]" 1
1982 2 35 TYR QD 2 40 LYS QB 4.020 . 4.020 3.714 3.299 4.027 0.007 19 0 "[ . 1 . 2]" 1
1983 2 35 TYR QD 2 40 LYS HG3 4.430 . 4.430 3.014 2.553 3.481 . 0 0 "[ . 1 . 2]" 1
1984 2 35 TYR QD 2 40 LYS HG2 4.470 . 4.470 2.955 2.559 3.303 . 0 0 "[ . 1 . 2]" 1
1985 2 35 TYR QE 2 40 LYS QB 5.360 . 5.360 5.030 4.663 5.406 0.046 10 0 "[ . 1 . 2]" 1
1986 2 35 TYR H 2 40 LYS QB 5.290 . 5.290 5.256 4.835 5.415 0.125 1 0 "[ . 1 . 2]" 1
1987 2 35 TYR H 2 41 ALA MB 5.330 . 5.330 4.638 4.070 5.098 . 0 0 "[ . 1 . 2]" 1
1988 2 48 VAL MG1 2 53 PRO HD3 4.650 . 4.650 4.524 4.396 4.620 . 0 0 "[ . 1 . 2]" 1
1989 1 1 MET ME 2 51 ASN HA 5.500 . 5.500 4.512 3.240 5.660 0.160 18 0 "[ . 1 . 2]" 1
1990 1 1 MET ME 2 51 ASN HD21 5.500 . 5.500 5.389 5.073 5.662 0.162 9 0 "[ . 1 . 2]" 1
1991 1 1 MET ME 2 51 ASN HD22 4.990 . 4.990 4.985 4.359 5.161 0.171 4 0 "[ . 1 . 2]" 1
1992 1 2 ASN HB2 2 51 ASN HB2 5.100 . 5.100 4.521 4.074 5.108 0.008 10 0 "[ . 1 . 2]" 1
1993 1 2 ASN HB3 2 54 ASP HB2 3.750 . 3.750 3.455 2.558 3.813 0.063 11 0 "[ . 1 . 2]" 1
1994 1 2 ASN HD21 2 51 ASN HB2 3.990 . 3.990 3.841 3.622 4.016 0.026 2 0 "[ . 1 . 2]" 1
1995 1 2 ASN HD21 2 55 ALA MB 4.550 . 4.550 3.300 2.620 3.776 . 0 0 "[ . 1 . 2]" 1
1996 1 2 ASN HD22 2 51 ASN HB2 5.360 . 5.360 5.192 4.702 5.507 0.147 18 0 "[ . 1 . 2]" 1
1997 1 2 ASN HD22 2 54 ASP HB2 3.640 . 3.640 3.140 2.870 3.392 . 0 0 "[ . 1 . 2]" 1
1998 1 2 ASN HD22 2 54 ASP HB3 3.630 . 3.630 3.586 3.351 3.714 0.084 13 0 "[ . 1 . 2]" 1
1999 1 2 ASN HD22 2 55 ALA HA 3.860 . 3.860 2.771 2.088 3.213 . 0 0 "[ . 1 . 2]" 1
2000 1 2 ASN HD22 2 55 ALA MB 3.870 . 3.870 2.821 2.376 3.083 . 0 0 "[ . 1 . 2]" 1
2001 1 2 ASN HD22 2 55 ALA H 4.200 . 4.200 3.444 3.043 3.841 . 0 0 "[ . 1 . 2]" 1
2002 1 2 ASN HD22 2 56 ASP H 5.400 . 5.400 4.718 4.068 5.196 . 0 0 "[ . 1 . 2]" 1
2003 1 4 ALA HA 2 55 ALA MB 4.760 . 4.760 4.558 4.466 4.643 . 0 0 "[ . 1 . 2]" 1
2004 1 4 ALA MB 2 51 ASN HB2 3.340 . 3.340 3.244 2.999 3.383 0.043 4 0 "[ . 1 . 2]" 1
2005 1 4 ALA MB 2 51 ASN HD21 4.370 . 4.370 4.402 4.302 4.478 0.108 4 0 "[ . 1 . 2]" 1
2006 1 4 ALA MB 2 51 ASN HD22 4.380 . 4.380 4.325 4.138 4.422 0.042 3 0 "[ . 1 . 2]" 1
2007 1 4 ALA MB 2 54 ASP H 5.500 . 5.500 5.497 5.369 5.554 0.054 15 0 "[ . 1 . 2]" 1
2008 1 4 ALA MB 2 55 ALA HA 4.200 . 4.200 4.025 3.901 4.113 . 0 0 "[ . 1 . 2]" 1
2009 1 4 ALA MB 2 55 ALA MB 3.000 . 3.000 2.587 2.410 2.681 . 0 0 "[ . 1 . 2]" 1
2010 1 4 ALA MB 2 55 ALA H 4.990 . 4.990 4.632 4.499 4.734 . 0 0 "[ . 1 . 2]" 1
2011 1 5 HIS HA 2 55 ALA HA 3.930 . 3.930 2.993 2.822 3.117 . 0 0 "[ . 1 . 2]" 1
2012 1 5 HIS HA 2 55 ALA MB 2.970 . 2.970 1.863 1.827 1.907 . 0 0 "[ . 1 . 2]" 1
2013 1 5 HIS HA 2 55 ALA H 5.220 . 5.220 5.114 4.965 5.226 0.006 9 0 "[ . 1 . 2]" 1
2014 1 5 HIS HA 2 56 ASP HA 5.030 . 5.030 4.907 4.802 4.969 . 0 0 "[ . 1 . 2]" 1
2015 1 5 HIS HA 2 56 ASP QB 4.170 . 4.170 4.146 3.934 4.237 0.067 16 0 "[ . 1 . 2]" 1
2016 1 5 HIS HA 2 56 ASP H 2.970 . 2.970 2.606 2.500 2.691 . 0 0 "[ . 1 . 2]" 1
2017 1 5 HIS HA 2 58 ILE MD 5.170 . 5.170 5.105 4.856 5.214 0.044 6 0 "[ . 1 . 2]" 1
2018 1 5 HIS HA 2 58 ILE HG13 5.500 . 5.500 5.191 4.975 5.847 0.347 1 0 "[ . 1 . 2]" 1
2019 1 5 HIS HB2 2 56 ASP HA 5.170 . 5.170 5.229 5.182 5.276 0.106 9 0 "[ . 1 . 2]" 1
2020 1 5 HIS HB2 2 56 ASP QB 3.770 . 3.770 3.451 3.289 3.622 . 0 0 "[ . 1 . 2]" 1
2021 1 5 HIS HB2 2 56 ASP H 4.820 . 4.820 3.407 3.239 3.525 . 0 0 "[ . 1 . 2]" 1
2022 1 5 HIS HB3 2 56 ASP H 3.550 . 3.550 3.539 3.377 3.612 0.062 9 0 "[ . 1 . 2]" 1
2023 1 5 HIS HD2 2 58 ILE HB 4.170 . 4.170 3.612 3.209 4.458 0.288 1 0 "[ . 1 . 2]" 1
2024 1 5 HIS HD2 2 58 ILE MD 3.630 . 3.630 2.290 2.073 2.487 . 0 0 "[ . 1 . 2]" 1
2025 1 5 HIS HD2 2 58 ILE HG12 4.240 . 4.240 4.237 3.186 4.339 0.099 12 0 "[ . 1 . 2]" 1
2026 1 5 HIS HD2 2 58 ILE HG13 3.920 . 3.920 2.780 2.345 2.893 . 0 0 "[ . 1 . 2]" 1
2027 1 5 HIS HD2 2 58 ILE MG 4.770 . 4.770 4.492 4.171 4.666 . 0 0 "[ . 1 . 2]" 1
2028 1 5 HIS H 2 51 ASN HB3 4.830 . 4.830 4.923 4.834 4.963 0.133 9 0 "[ . 1 . 2]" 1
2029 1 5 HIS H 2 55 ALA MB 3.230 . 3.230 3.294 3.253 3.331 0.101 15 0 "[ . 1 . 2]" 1
2030 1 6 PHE HA 2 55 ALA MB 4.270 . 4.270 4.109 3.981 4.165 . 0 0 "[ . 1 . 2]" 1
2031 1 6 PHE HB3 2 57 VAL QG 4.190 . 4.190 2.885 2.700 3.035 . 0 0 "[ . 1 . 2]" 1
2032 1 6 PHE HB2 2 56 ASP HA 4.400 . 4.400 4.536 4.438 4.617 0.217 18 0 "[ . 1 . 2]" 1
2033 1 6 PHE HB2 2 57 VAL QG 3.520 . 3.520 2.816 2.319 3.106 . 0 0 "[ . 1 . 2]" 1
2034 1 6 PHE HB2 2 58 ILE H 4.220 . 4.220 3.582 3.492 3.654 . 0 0 "[ . 1 . 2]" 1
2035 1 6 PHE QD 2 48 VAL MG2 5.500 . 5.500 5.467 5.255 5.554 0.054 2 0 "[ . 1 . 2]" 1
2036 1 6 PHE QD 2 52 ALA HA 4.770 . 4.770 4.496 4.393 4.582 . 0 0 "[ . 1 . 2]" 1
2037 1 6 PHE QD 2 55 ALA MB 2.990 . 2.990 2.658 2.548 2.789 . 0 0 "[ . 1 . 2]" 1
2038 1 6 PHE QD 2 56 ASP H 4.630 . 4.630 4.308 4.135 4.430 . 0 0 "[ . 1 . 2]" 1
2039 1 6 PHE QD 2 57 VAL HA 4.060 . 4.060 3.661 3.587 3.806 . 0 0 "[ . 1 . 2]" 1
2040 1 6 PHE QD 2 57 VAL QG 3.800 . 3.800 3.393 2.821 3.658 . 0 0 "[ . 1 . 2]" 1
2041 1 6 PHE H 2 55 ALA HA 4.450 . 4.450 4.464 4.345 4.521 0.071 9 0 "[ . 1 . 2]" 1
2042 1 6 PHE H 2 55 ALA MB 2.870 . 2.870 2.659 2.562 2.763 . 0 0 "[ . 1 . 2]" 1
2043 1 6 PHE H 2 56 ASP HA 5.210 . 5.210 4.345 4.292 4.413 . 0 0 "[ . 1 . 2]" 1
2044 1 6 PHE H 2 56 ASP QB 4.580 . 4.580 4.237 4.112 4.329 . 0 0 "[ . 1 . 2]" 1
2045 1 6 PHE H 2 56 ASP H 3.570 . 3.570 3.454 3.323 3.532 . 0 0 "[ . 1 . 2]" 1
2046 1 6 PHE H 2 57 VAL HA 3.450 . 3.450 2.967 2.741 3.284 . 0 0 "[ . 1 . 2]" 1
2047 1 6 PHE H 2 57 VAL QG 4.920 . 4.920 4.223 3.932 4.387 . 0 0 "[ . 1 . 2]" 1
2048 1 6 PHE H 2 57 VAL H 4.530 . 4.530 4.403 4.267 4.615 0.085 4 0 "[ . 1 . 2]" 1
2049 1 6 PHE H 2 58 ILE MD 5.130 . 5.130 4.852 4.704 4.954 . 0 0 "[ . 1 . 2]" 1
2050 1 6 PHE H 2 58 ILE HG12 5.500 . 5.500 5.435 4.222 5.548 0.048 6 0 "[ . 1 . 2]" 1
2051 1 7 GLU HA 2 58 ILE HB 3.890 . 3.890 2.975 2.705 3.927 0.037 1 0 "[ . 1 . 2]" 1
2052 1 7 GLU HA 2 58 ILE MD 4.900 . 4.900 4.470 4.300 4.682 . 0 0 "[ . 1 . 2]" 1
2053 1 7 GLU HA 2 58 ILE HG13 4.070 . 4.070 3.993 2.952 4.142 0.072 19 0 "[ . 1 . 2]" 1
2054 1 7 GLU HA 2 58 ILE H 2.930 . 2.930 2.583 2.481 2.714 . 0 0 "[ . 1 . 2]" 1
2055 1 7 GLU HA 2 60 ALA H 4.100 . 4.100 4.118 4.019 4.171 0.071 13 0 "[ . 1 . 2]" 1
2056 1 7 GLU HG2 2 58 ILE HB 3.590 . 3.590 2.419 2.057 3.570 . 0 0 "[ . 1 . 2]" 1
2057 1 7 GLU HG2 2 58 ILE MD 3.800 . 3.800 2.885 2.664 3.152 . 0 0 "[ . 1 . 2]" 1
2058 1 7 GLU HG2 2 58 ILE HG12 4.880 . 4.880 4.729 3.946 4.929 0.049 17 0 "[ . 1 . 2]" 1
2059 1 7 GLU HG2 2 58 ILE H 3.740 . 3.740 3.712 3.422 3.873 0.133 20 0 "[ . 1 . 2]" 1
2060 1 7 GLU H 2 58 ILE H 4.500 . 4.500 4.307 4.240 4.452 . 0 0 "[ . 1 . 2]" 1
2061 1 8 VAL MG1 2 60 ALA H 4.160 . 4.160 4.093 3.947 4.192 0.032 17 0 "[ . 1 . 2]" 1
2062 1 8 VAL H 2 59 GLU HA 3.420 . 3.420 2.931 2.580 3.295 . 0 0 "[ . 1 . 2]" 1
2063 1 8 VAL H 2 60 ALA HA 5.350 . 5.350 5.247 5.113 5.350 . 2 0 "[ . 1 . 2]" 1
2064 1 8 VAL H 2 60 ALA MB 3.560 . 3.560 3.572 3.441 3.628 0.068 13 0 "[ . 1 . 2]" 1
2065 1 8 VAL H 2 60 ALA H 2.900 . 2.900 2.840 2.752 2.924 0.024 12 0 "[ . 1 . 2]" 1
2066 1 9 PHE HA 2 60 ALA MB 3.900 . 3.900 2.985 2.738 3.200 . 0 0 "[ . 1 . 2]" 1
2067 1 9 PHE HB3 2 60 ALA MB 4.120 . 4.120 2.468 2.194 2.611 . 0 0 "[ . 1 . 2]" 1
2068 1 9 PHE HB3 2 60 ALA H 4.430 . 4.430 4.436 4.309 4.513 0.083 10 0 "[ . 1 . 2]" 1
2069 1 9 PHE QD 2 60 ALA MB 4.090 . 4.090 4.127 3.890 4.211 0.121 5 0 "[ . 1 . 2]" 1
2070 1 10 VAL H 2 60 ALA MB 4.820 . 4.820 4.695 4.445 4.887 0.067 14 0 "[ . 1 . 2]" 1
2071 1 18 TRP HE1 2 29 ALA MB 5.500 . 5.500 5.532 5.475 5.575 0.075 12 0 "[ . 1 . 2]" 1
2072 1 20 LEU MD1 2 48 VAL HA 5.250 . 5.250 5.241 5.167 5.332 0.082 4 0 "[ . 1 . 2]" 1
2073 1 20 LEU MD1 2 48 VAL MG2 4.390 . 4.390 4.007 3.896 4.118 . 0 0 "[ . 1 . 2]" 1
2074 1 20 LEU MD1 2 51 ASN HB2 4.730 . 4.730 4.277 4.198 4.442 . 0 0 "[ . 1 . 2]" 1
2075 1 20 LEU MD1 2 51 ASN HB3 4.950 . 4.950 3.540 3.372 3.795 . 0 0 "[ . 1 . 2]" 1
2076 1 20 LEU MD1 2 52 ALA HA 3.590 . 3.590 2.975 2.848 3.136 . 0 0 "[ . 1 . 2]" 1
2077 1 20 LEU MD1 2 52 ALA MB 4.440 . 4.440 3.742 3.570 3.899 . 0 0 "[ . 1 . 2]" 1
2078 1 20 LEU MD1 2 52 ALA H 4.590 . 4.590 4.618 4.581 4.645 0.055 10 0 "[ . 1 . 2]" 1
2079 1 20 LEU MD1 2 55 ALA HA 4.810 . 4.810 4.156 4.088 4.258 . 0 0 "[ . 1 . 2]" 1
2080 1 20 LEU MD1 2 55 ALA MB 2.890 . 2.890 2.004 1.955 2.086 . 0 0 "[ . 1 . 2]" 1
2081 1 20 LEU MD1 2 56 ASP H 4.790 . 4.790 4.749 4.663 4.812 0.022 18 0 "[ . 1 . 2]" 1
2082 1 20 LEU MD2 2 48 VAL HA 3.640 . 3.640 2.730 2.567 2.838 . 0 0 "[ . 1 . 2]" 1
2083 1 20 LEU MD2 2 48 VAL MG2 3.450 . 3.450 1.903 1.850 1.991 . 0 0 "[ . 1 . 2]" 1
2084 1 20 LEU MD2 2 50 ARG H 5.480 . 5.480 5.273 5.099 5.411 . 0 0 "[ . 1 . 2]" 1
2085 1 20 LEU MD2 2 51 ASN H 4.230 . 4.230 4.077 3.937 4.169 . 0 0 "[ . 1 . 2]" 1
2086 1 20 LEU MD2 2 52 ALA HA 3.890 . 3.890 2.427 2.362 2.498 . 0 0 "[ . 1 . 2]" 1
2087 1 20 LEU MD2 2 52 ALA MB 3.110 . 3.110 2.329 2.163 2.509 . 0 0 "[ . 1 . 2]" 1
2088 1 20 LEU MD2 2 52 ALA H 3.330 . 3.330 2.978 2.922 3.037 . 0 0 "[ . 1 . 2]" 1
2089 1 20 LEU MD2 2 55 ALA H 5.140 . 5.140 4.704 4.614 4.846 . 0 0 "[ . 1 . 2]" 1
2090 1 22 HIS HD2 2 51 ASN HD21 4.080 . 4.080 3.918 3.655 4.110 0.030 4 0 "[ . 1 . 2]" 1
2091 1 22 HIS HD2 2 51 ASN HD22 4.240 . 4.240 3.308 2.967 3.556 . 0 0 "[ . 1 . 2]" 1
2092 1 27 ILE HA 2 32 GLY HA3 5.500 . 5.500 5.546 5.453 5.602 0.102 8 0 "[ . 1 . 2]" 1
2093 1 27 ILE MD 2 32 GLY HA3 4.960 . 4.960 4.896 4.687 4.989 0.029 20 0 "[ . 1 . 2]" 1
2094 1 27 ILE MG 2 31 SER HA 5.260 . 5.260 5.009 4.833 5.150 . 0 0 "[ . 1 . 2]" 1
2095 1 27 ILE MG 2 32 GLY HA3 3.450 . 3.450 2.170 2.111 2.224 . 0 0 "[ . 1 . 2]" 1
2096 1 27 ILE MG 2 32 GLY HA2 3.460 . 3.460 3.378 3.327 3.445 . 0 0 "[ . 1 . 2]" 1
2097 1 27 ILE MG 2 33 GLU HG3 4.160 . 4.160 3.705 2.678 4.406 0.246 15 0 "[ . 1 . 2]" 1
2098 1 27 ILE MG 2 33 GLU H 3.640 . 3.640 3.552 3.407 3.693 0.053 4 0 "[ . 1 . 2]" 1
2099 1 28 LEU HA 2 31 SER HA 5.500 . 5.500 5.480 5.314 5.609 0.109 16 0 "[ . 1 . 2]" 1
2100 1 28 LEU QB 2 48 VAL HA 4.750 . 4.750 3.213 2.965 3.409 . 0 0 "[ . 1 . 2]" 1
2101 1 28 LEU QB 2 48 VAL H 4.610 . 4.610 4.333 4.012 4.553 . 0 0 "[ . 1 . 2]" 1
2102 1 29 ALA HA 2 31 SER HA 3.360 . 3.360 3.039 2.868 3.239 . 0 0 "[ . 1 . 2]" 1
2103 1 29 ALA HA 2 31 SER QB 5.060 . 5.060 4.653 4.475 4.834 . 0 0 "[ . 1 . 2]" 1
2104 1 29 ALA HA 2 32 GLY HA3 4.310 . 4.310 3.801 3.622 3.971 . 0 0 "[ . 1 . 2]" 1
2105 1 29 ALA HA 2 32 GLY HA2 5.020 . 5.020 4.916 4.729 5.045 0.025 15 0 "[ . 1 . 2]" 1
2106 1 29 ALA HA 2 48 VAL MG2 4.430 . 4.430 3.949 3.872 3.997 . 0 0 "[ . 1 . 2]" 1
2107 1 29 ALA MB 2 18 TRP HE1 5.500 . 5.500 5.538 5.494 5.582 0.082 12 0 "[ . 1 . 2]" 1
2108 1 29 ALA MB 2 31 SER HA 4.180 . 4.180 3.872 3.718 4.154 . 0 0 "[ . 1 . 2]" 1
2109 1 29 ALA MB 2 31 SER H 5.500 . 5.500 5.244 5.122 5.452 . 0 0 "[ . 1 . 2]" 1
2110 1 29 ALA MB 2 48 VAL HA 4.390 . 4.390 4.402 4.276 4.461 0.071 13 0 "[ . 1 . 2]" 1
2111 1 29 ALA MB 2 48 VAL MG2 2.900 . 2.900 1.867 1.836 1.895 . 0 0 "[ . 1 . 2]" 1
2112 1 29 ALA MB 2 48 VAL MG1 3.730 . 3.730 3.261 2.990 3.374 . 0 0 "[ . 1 . 2]" 1
2113 1 29 ALA MB 2 52 ALA HA 5.430 . 5.430 5.491 5.376 5.578 0.148 18 0 "[ . 1 . 2]" 1
2114 1 29 ALA H 2 48 VAL HB 5.450 . 5.450 5.428 4.973 5.501 0.051 10 0 "[ . 1 . 2]" 1
2115 1 30 ASP HB3 2 32 GLY HA3 4.890 . 4.890 3.463 3.286 3.647 . 0 0 "[ . 1 . 2]" 1
2116 1 30 ASP HB3 2 32 GLY HA2 4.650 . 4.650 2.828 2.460 3.247 . 0 0 "[ . 1 . 2]" 1
2117 1 30 ASP HB3 2 32 GLY H 4.770 . 4.770 3.511 3.178 3.875 . 0 0 "[ . 1 . 2]" 1
2118 1 30 ASP HB2 2 32 GLY HA3 5.260 . 5.260 2.845 2.641 3.071 . 0 0 "[ . 1 . 2]" 1
2119 1 30 ASP HB2 2 32 GLY H 5.420 . 5.420 4.287 3.944 4.599 . 0 0 "[ . 1 . 2]" 1
2120 1 30 ASP H 2 31 SER HA 5.500 . 5.500 4.368 4.231 4.549 . 0 0 "[ . 1 . 2]" 1
2121 1 30 ASP H 2 32 GLY HA3 4.700 . 4.700 4.226 3.996 4.425 . 0 0 "[ . 1 . 2]" 1
2122 1 30 ASP H 2 32 GLY HA2 4.980 . 4.980 4.593 4.235 4.961 . 0 0 "[ . 1 . 2]" 1
2123 1 31 SER HA 2 27 ILE MG 5.260 . 5.260 5.031 4.845 5.152 . 0 0 "[ . 1 . 2]" 1
2124 1 31 SER HA 2 28 LEU HA 5.500 . 5.500 5.493 5.287 5.601 0.101 4 0 "[ . 1 . 2]" 1
2125 1 31 SER HA 2 29 ALA HA 3.360 . 3.360 3.067 2.940 3.219 . 0 0 "[ . 1 . 2]" 1
2126 1 31 SER HA 2 29 ALA MB 4.180 . 4.180 3.884 3.694 4.080 . 0 0 "[ . 1 . 2]" 1
2127 1 31 SER HA 2 30 ASP H 5.500 . 5.500 4.363 4.207 4.528 . 0 0 "[ . 1 . 2]" 1
2128 1 31 SER QB 2 29 ALA HA 5.060 . 5.060 4.675 4.545 4.812 . 0 0 "[ . 1 . 2]" 1
2129 1 31 SER H 2 29 ALA MB 5.500 . 5.500 5.264 5.085 5.407 . 0 0 "[ . 1 . 2]" 1
2130 1 32 GLY HA3 2 27 ILE HA 5.500 . 5.500 5.538 5.424 5.604 0.104 3 0 "[ . 1 . 2]" 1
2131 1 32 GLY HA3 2 27 ILE MD 4.960 . 4.960 4.906 4.728 5.019 0.059 19 0 "[ . 1 . 2]" 1
2132 1 32 GLY HA3 2 27 ILE MG 3.450 . 3.450 2.169 2.095 2.228 . 0 0 "[ . 1 . 2]" 1
2133 1 32 GLY HA3 2 29 ALA HA 4.310 . 4.310 3.798 3.627 4.003 . 0 0 "[ . 1 . 2]" 1
2134 1 32 GLY HA3 2 30 ASP HB3 4.890 . 4.890 3.468 3.203 3.690 . 0 0 "[ . 1 . 2]" 1
2135 1 32 GLY HA3 2 30 ASP HB2 5.260 . 5.260 2.877 2.602 3.308 . 0 0 "[ . 1 . 2]" 1
2136 1 32 GLY HA3 2 30 ASP H 4.700 . 4.700 4.189 4.013 4.401 . 0 0 "[ . 1 . 2]" 1
2137 1 32 GLY HA2 2 27 ILE MG 3.460 . 3.460 3.370 3.276 3.444 . 0 0 "[ . 1 . 2]" 1
2138 1 32 GLY HA2 2 29 ALA HA 5.020 . 5.020 4.916 4.722 5.039 0.019 9 0 "[ . 1 . 2]" 1
2139 1 32 GLY HA2 2 30 ASP HB3 4.650 . 4.650 2.837 2.492 3.254 . 0 0 "[ . 1 . 2]" 1
2140 1 32 GLY HA2 2 30 ASP H 4.980 . 4.980 4.561 4.351 4.835 . 0 0 "[ . 1 . 2]" 1
2141 1 32 GLY H 2 30 ASP HB3 4.770 . 4.770 3.535 3.253 3.750 . 0 0 "[ . 1 . 2]" 1
2142 1 32 GLY H 2 30 ASP HB2 5.420 . 5.420 4.327 3.977 4.636 . 0 0 "[ . 1 . 2]" 1
2143 1 33 GLU HG3 2 27 ILE MG 4.160 . 4.160 3.721 2.867 4.581 0.421 18 0 "[ . 1 . 2]" 1
2144 1 33 GLU H 2 27 ILE MG 3.640 . 3.640 3.575 3.355 3.665 0.025 17 0 "[ . 1 . 2]" 1
2145 1 42 LYS HA 2 57 VAL QG 4.270 . 4.270 3.068 2.817 3.414 . 0 0 "[ . 1 . 2]" 1
2146 1 42 LYS HB3 2 57 VAL QG 4.780 . 4.780 3.080 2.831 3.412 . 0 0 "[ . 1 . 2]" 1
2147 1 45 ILE MD 2 57 VAL HA 4.250 . 4.250 3.565 3.334 3.851 . 0 0 "[ . 1 . 2]" 1
2148 1 45 ILE MD 2 57 VAL HB 4.500 . 4.500 2.720 1.899 4.027 . 0 0 "[ . 1 . 2]" 1
2149 1 45 ILE MD 2 57 VAL H 5.180 . 5.180 4.841 4.620 5.033 . 0 0 "[ . 1 . 2]" 1
2150 1 45 ILE MD 2 58 ILE H 4.800 . 4.800 4.456 4.313 4.621 . 0 0 "[ . 1 . 2]" 1
2151 1 45 ILE MG 2 57 VAL HA 4.280 . 4.280 4.024 3.891 4.180 . 0 0 "[ . 1 . 2]" 1
2152 1 45 ILE MG 2 57 VAL HB 4.750 . 4.750 3.044 2.212 4.548 . 0 0 "[ . 1 . 2]" 1
2153 1 45 ILE MG 2 57 VAL QG 2.870 . 2.870 2.397 1.782 2.746 . 0 0 "[ . 1 . 2]" 1
2154 1 45 ILE MG 2 57 VAL H 4.460 . 4.460 4.320 3.975 4.571 0.111 2 0 "[ . 1 . 2]" 1
2155 1 45 ILE MG 2 58 ILE H 5.500 . 5.500 5.599 5.547 5.657 0.157 14 0 "[ . 1 . 2]" 1
2156 1 48 VAL HA 2 20 LEU MD1 5.250 . 5.250 5.239 5.131 5.339 0.089 5 0 "[ . 1 . 2]" 1
2157 1 48 VAL HA 2 20 LEU MD2 3.640 . 3.640 2.722 2.628 2.843 . 0 0 "[ . 1 . 2]" 1
2158 1 48 VAL HA 2 28 LEU QB 4.750 . 4.750 3.215 3.054 3.454 . 0 0 "[ . 1 . 2]" 1
2159 1 48 VAL HA 2 29 ALA MB 4.390 . 4.390 4.370 4.199 4.480 0.090 19 0 "[ . 1 . 2]" 1
2160 1 48 VAL HB 2 29 ALA H 5.450 . 5.450 5.411 5.143 5.528 0.078 12 0 "[ . 1 . 2]" 1
2161 1 48 VAL MG2 2 6 PHE QD 5.500 . 5.500 5.467 5.339 5.539 0.039 20 0 "[ . 1 . 2]" 1
2162 1 48 VAL MG2 2 20 LEU MD1 4.390 . 4.390 4.034 3.927 4.118 . 0 0 "[ . 1 . 2]" 1
2163 1 48 VAL MG2 2 20 LEU MD2 3.450 . 3.450 1.932 1.847 2.037 . 0 0 "[ . 1 . 2]" 1
2164 1 48 VAL MG2 2 29 ALA HA 4.430 . 4.430 3.963 3.863 4.063 . 0 0 "[ . 1 . 2]" 1
2165 1 48 VAL MG2 2 29 ALA MB 2.900 . 2.900 1.873 1.828 1.921 . 0 0 "[ . 1 . 2]" 1
2166 1 48 VAL MG1 2 29 ALA MB 3.730 . 3.730 3.282 3.068 3.422 . 0 0 "[ . 1 . 2]" 1
2167 1 48 VAL MG1 2 53 PRO HA 5.270 . 5.270 5.112 4.974 5.281 0.011 18 0 "[ . 1 . 2]" 1
2168 1 48 VAL H 2 28 LEU QB 4.610 . 4.610 4.319 4.203 4.503 . 0 0 "[ . 1 . 2]" 1
2169 1 49 LYS HA 2 53 PRO HA 3.610 . 3.610 3.327 3.107 3.588 . 0 0 "[ . 1 . 2]" 1
2170 1 49 LYS HA 2 53 PRO QB 4.060 . 4.060 3.843 3.564 4.053 . 0 0 "[ . 1 . 2]" 1
2171 1 49 LYS QE 2 53 PRO HA 4.540 . 4.540 2.490 2.139 2.860 . 0 0 "[ . 1 . 2]" 1
2172 1 49 LYS QE 2 53 PRO QB 4.240 . 4.240 3.969 3.738 4.250 0.010 5 0 "[ . 1 . 2]" 1
2173 1 49 LYS QE 2 54 ASP H 4.160 . 4.160 3.906 3.623 4.202 0.042 1 0 "[ . 1 . 2]" 1
2174 1 49 LYS H 2 53 PRO HA 5.500 . 5.500 5.497 5.289 5.573 0.073 4 0 "[ . 1 . 2]" 1
2175 1 50 ARG H 2 20 LEU MD2 5.480 . 5.480 5.251 5.083 5.400 . 0 0 "[ . 1 . 2]" 1
2176 1 51 ASN HA 2 1 MET ME 5.500 . 5.500 4.300 3.317 5.549 0.049 8 0 "[ . 1 . 2]" 1
2177 1 51 ASN HB2 2 2 ASN HB2 5.100 . 5.100 4.530 4.158 4.824 . 0 0 "[ . 1 . 2]" 1
2178 1 51 ASN HB2 2 2 ASN HD21 3.990 . 3.990 3.871 3.621 4.034 0.044 11 0 "[ . 1 . 2]" 1
2179 1 51 ASN HB2 2 2 ASN HD22 5.360 . 5.360 5.264 4.744 5.468 0.108 8 0 "[ . 1 . 2]" 1
2180 1 51 ASN HB2 2 4 ALA MB 3.340 . 3.340 3.257 3.139 3.365 0.025 4 0 "[ . 1 . 2]" 1
2181 1 51 ASN HB2 2 20 LEU MD1 4.730 . 4.730 4.252 4.037 4.386 . 0 0 "[ . 1 . 2]" 1
2182 1 51 ASN HB3 2 5 HIS H 4.830 . 4.830 4.919 4.834 4.988 0.158 11 0 "[ . 1 . 2]" 1
2183 1 51 ASN HB3 2 20 LEU MD1 4.950 . 4.950 3.499 3.311 3.624 . 0 0 "[ . 1 . 2]" 1
2184 1 51 ASN HD21 2 1 MET ME 5.500 . 5.500 5.316 5.036 5.632 0.132 8 0 "[ . 1 . 2]" 1
2185 1 51 ASN HD21 2 4 ALA MB 4.370 . 4.370 4.396 4.306 4.476 0.106 18 0 "[ . 1 . 2]" 1
2186 1 51 ASN HD21 2 22 HIS HD2 4.080 . 4.080 3.907 3.657 4.083 0.003 6 0 "[ . 1 . 2]" 1
2187 1 51 ASN HD22 2 1 MET ME 4.990 . 4.990 5.065 4.751 5.219 0.229 12 0 "[ . 1 . 2]" 1
2188 1 51 ASN HD22 2 4 ALA MB 4.380 . 4.380 4.311 4.179 4.444 0.064 18 0 "[ . 1 . 2]" 1
2189 1 51 ASN HD22 2 22 HIS HD2 4.240 . 4.240 3.296 2.970 3.655 . 0 0 "[ . 1 . 2]" 1
2190 1 51 ASN H 2 20 LEU MD2 4.230 . 4.230 4.064 3.934 4.169 . 0 0 "[ . 1 . 2]" 1
2191 1 52 ALA HA 2 6 PHE QD 4.770 . 4.770 4.505 4.368 4.616 . 0 0 "[ . 1 . 2]" 1
2192 1 52 ALA HA 2 20 LEU MD1 3.590 . 3.590 2.994 2.934 3.133 . 0 0 "[ . 1 . 2]" 1
2193 1 52 ALA HA 2 20 LEU MD2 3.890 . 3.890 2.422 2.324 2.532 . 0 0 "[ . 1 . 2]" 1
2194 1 52 ALA HA 2 29 ALA MB 5.430 . 5.430 5.490 5.411 5.557 0.127 18 0 "[ . 1 . 2]" 1
2195 1 52 ALA MB 2 20 LEU MD1 4.440 . 4.440 3.759 3.673 3.909 . 0 0 "[ . 1 . 2]" 1
2196 1 52 ALA MB 2 20 LEU MD2 3.110 . 3.110 2.334 2.178 2.532 . 0 0 "[ . 1 . 2]" 1
2197 1 52 ALA H 2 20 LEU MD1 4.590 . 4.590 4.620 4.579 4.655 0.065 20 0 "[ . 1 . 2]" 1
2198 1 52 ALA H 2 20 LEU MD2 3.330 . 3.330 2.969 2.891 3.033 . 0 0 "[ . 1 . 2]" 1
2199 1 53 PRO HA 2 48 VAL MG1 5.270 . 5.270 5.163 4.966 5.291 0.021 8 0 "[ . 1 . 2]" 1
2200 1 53 PRO HA 2 49 LYS HA 3.610 . 3.610 3.333 3.025 3.597 . 0 0 "[ . 1 . 2]" 1
2201 1 53 PRO HA 2 49 LYS QE 4.540 . 4.540 2.570 2.298 2.911 . 0 0 "[ . 1 . 2]" 1
2202 1 53 PRO HA 2 49 LYS H 5.500 . 5.500 5.500 5.239 5.613 0.113 17 0 "[ . 1 . 2]" 1
2203 1 53 PRO QB 2 49 LYS HA 4.060 . 4.060 3.850 3.566 4.008 . 0 0 "[ . 1 . 2]" 1
2204 1 53 PRO QB 2 49 LYS QE 4.240 . 4.240 4.050 3.822 4.279 0.039 5 0 "[ . 1 . 2]" 1
2205 1 54 ASP HB2 2 2 ASN HB3 3.750 . 3.750 3.510 2.853 3.853 0.103 11 0 "[ . 1 . 2]" 1
2206 1 54 ASP HB2 2 2 ASN HD22 3.640 . 3.640 2.992 2.725 3.302 . 0 0 "[ . 1 . 2]" 1
2207 1 54 ASP HB3 2 2 ASN HD22 3.630 . 3.630 3.525 3.320 3.693 0.063 3 0 "[ . 1 . 2]" 1
2208 1 54 ASP H 2 4 ALA MB 5.500 . 5.500 5.509 5.442 5.577 0.077 2 0 "[ . 1 . 2]" 1
2209 1 54 ASP H 2 49 LYS QE 4.160 . 4.160 3.940 3.649 4.242 0.082 9 0 "[ . 1 . 2]" 1
2210 1 55 ALA HA 2 2 ASN HD22 3.860 . 3.860 2.804 2.280 3.257 . 0 0 "[ . 1 . 2]" 1
2211 1 55 ALA HA 2 4 ALA MB 4.200 . 4.200 4.032 3.916 4.122 . 0 0 "[ . 1 . 2]" 1
2212 1 55 ALA HA 2 5 HIS HA 3.930 . 3.930 2.984 2.782 3.083 . 0 0 "[ . 1 . 2]" 1
2213 1 55 ALA HA 2 6 PHE H 4.450 . 4.450 4.469 4.306 4.542 0.092 4 0 "[ . 1 . 2]" 1
2214 1 55 ALA HA 2 20 LEU MD1 4.810 . 4.810 4.142 4.079 4.218 . 0 0 "[ . 1 . 2]" 1
2215 1 55 ALA MB 2 2 ASN HD21 4.550 . 4.550 3.290 2.815 3.755 . 0 0 "[ . 1 . 2]" 1
2216 1 55 ALA MB 2 2 ASN HD22 3.870 . 3.870 2.880 2.498 3.137 . 0 0 "[ . 1 . 2]" 1
2217 1 55 ALA MB 2 4 ALA HA 4.760 . 4.760 4.543 4.474 4.667 . 0 0 "[ . 1 . 2]" 1
2218 1 55 ALA MB 2 4 ALA MB 3.000 . 3.000 2.583 2.449 2.726 . 0 0 "[ . 1 . 2]" 1
2219 1 55 ALA MB 2 5 HIS HA 2.970 . 2.970 1.854 1.816 1.896 . 0 0 "[ . 1 . 2]" 1
2220 1 55 ALA MB 2 5 HIS H 3.230 . 3.230 3.293 3.243 3.331 0.101 16 0 "[ . 1 . 2]" 1
2221 1 55 ALA MB 2 6 PHE HA 4.270 . 4.270 4.120 4.029 4.180 . 0 0 "[ . 1 . 2]" 1
2222 1 55 ALA MB 2 6 PHE QD 2.990 . 2.990 2.699 2.571 2.798 . 0 0 "[ . 1 . 2]" 1
2223 1 55 ALA MB 2 6 PHE H 2.870 . 2.870 2.681 2.565 2.744 . 0 0 "[ . 1 . 2]" 1
2224 1 55 ALA MB 2 20 LEU MD1 2.890 . 2.890 1.989 1.946 2.040 . 0 0 "[ . 1 . 2]" 1
2225 1 55 ALA H 2 2 ASN HD22 4.200 . 4.200 3.440 3.160 3.732 . 0 0 "[ . 1 . 2]" 1
2226 1 55 ALA H 2 4 ALA MB 4.990 . 4.990 4.604 4.473 4.809 . 0 0 "[ . 1 . 2]" 1
2227 1 55 ALA H 2 5 HIS HA 5.220 . 5.220 5.104 4.970 5.190 . 0 0 "[ . 1 . 2]" 1
2228 1 55 ALA H 2 20 LEU MD2 5.140 . 5.140 4.670 4.630 4.712 . 0 0 "[ . 1 . 2]" 1
2229 1 56 ASP HA 2 5 HIS HA 5.030 . 5.030 4.899 4.800 4.975 . 0 0 "[ . 1 . 2]" 1
2230 1 56 ASP HA 2 5 HIS HB2 5.170 . 5.170 5.227 5.167 5.275 0.105 13 0 "[ . 1 . 2]" 1
2231 1 56 ASP HA 2 6 PHE HB2 4.400 . 4.400 4.515 4.455 4.562 0.162 6 0 "[ . 1 . 2]" 1
2232 1 56 ASP HA 2 6 PHE H 5.210 . 5.210 4.326 4.250 4.394 . 0 0 "[ . 1 . 2]" 1
2233 1 56 ASP QB 2 5 HIS HA 4.170 . 4.170 4.188 4.034 4.283 0.113 5 0 "[ . 1 . 2]" 1
2234 1 56 ASP QB 2 5 HIS HB2 3.770 . 3.770 3.497 3.319 3.695 . 0 0 "[ . 1 . 2]" 1
2235 1 56 ASP QB 2 6 PHE H 4.580 . 4.580 4.254 4.158 4.345 . 0 0 "[ . 1 . 2]" 1
2236 1 56 ASP H 2 2 ASN HD22 5.400 . 5.400 4.735 4.229 5.202 . 0 0 "[ . 1 . 2]" 1
2237 1 56 ASP H 2 5 HIS HA 2.970 . 2.970 2.620 2.483 2.699 . 0 0 "[ . 1 . 2]" 1
2238 1 56 ASP H 2 5 HIS HB2 4.820 . 4.820 3.414 3.246 3.522 . 0 0 "[ . 1 . 2]" 1
2239 1 56 ASP H 2 5 HIS HB3 3.550 . 3.550 3.535 3.315 3.613 0.063 14 0 "[ . 1 . 2]" 1
2240 1 56 ASP H 2 6 PHE QD 4.630 . 4.630 4.296 4.060 4.459 . 0 0 "[ . 1 . 2]" 1
2241 1 56 ASP H 2 6 PHE H 3.570 . 3.570 3.471 3.302 3.545 . 0 0 "[ . 1 . 2]" 1
2242 1 56 ASP H 2 20 LEU MD1 4.790 . 4.790 4.742 4.659 4.806 0.016 5 0 "[ . 1 . 2]" 1
2243 1 57 VAL HA 2 6 PHE QD 4.060 . 4.060 3.642 3.567 3.756 . 0 0 "[ . 1 . 2]" 1
2244 1 57 VAL HA 2 6 PHE H 3.450 . 3.450 2.890 2.718 3.282 . 0 0 "[ . 1 . 2]" 1
2245 1 57 VAL HA 2 45 ILE MD 4.250 . 4.250 3.625 3.309 3.804 . 0 0 "[ . 1 . 2]" 1
2246 1 57 VAL HA 2 45 ILE MG 4.280 . 4.280 4.055 3.874 4.180 . 0 0 "[ . 1 . 2]" 1
2247 1 57 VAL HB 2 45 ILE MD 4.500 . 4.500 2.440 1.969 3.988 . 0 0 "[ . 1 . 2]" 1
2248 1 57 VAL HB 2 45 ILE MG 4.750 . 4.750 2.714 2.171 4.555 . 0 0 "[ . 1 . 2]" 1
2249 1 57 VAL QG 2 6 PHE HB3 4.190 . 4.190 2.903 2.796 2.999 . 0 0 "[ . 1 . 2]" 1
2250 1 57 VAL QG 2 6 PHE HB2 3.520 . 3.520 2.899 2.433 3.080 . 0 0 "[ . 1 . 2]" 1
2251 1 57 VAL QG 2 6 PHE QD 3.800 . 3.800 3.506 2.935 3.646 . 0 0 "[ . 1 . 2]" 1
2252 1 57 VAL QG 2 6 PHE H 4.920 . 4.920 4.263 4.050 4.386 . 0 0 "[ . 1 . 2]" 1
2253 1 57 VAL QG 2 42 LYS HA 4.270 . 4.270 3.089 2.890 3.303 . 0 0 "[ . 1 . 2]" 1
2254 1 57 VAL QG 2 45 ILE MG 2.870 . 2.870 2.528 1.823 2.762 . 0 0 "[ . 1 . 2]" 1
2255 1 57 VAL QG 2 42 LYS HB3 4.780 . 4.780 3.136 2.811 3.510 . 0 0 "[ . 1 . 2]" 1
2256 1 57 VAL H 2 6 PHE H 4.530 . 4.530 4.360 4.239 4.594 0.064 12 0 "[ . 1 . 2]" 1
2257 1 57 VAL H 2 45 ILE MD 5.180 . 5.180 4.812 4.685 4.936 . 0 0 "[ . 1 . 2]" 1
2258 1 57 VAL H 2 45 ILE MG 4.460 . 4.460 4.259 4.087 4.507 0.047 20 0 "[ . 1 . 2]" 1
2259 1 58 ILE HB 2 5 HIS HD2 4.170 . 4.170 3.576 3.356 3.846 . 0 0 "[ . 1 . 2]" 1
2260 1 58 ILE HB 2 7 GLU HA 3.890 . 3.890 3.012 2.768 3.193 . 0 0 "[ . 1 . 2]" 1
2261 1 58 ILE HB 2 7 GLU HG2 3.590 . 3.590 2.473 2.192 2.756 . 0 0 "[ . 1 . 2]" 1
2262 1 58 ILE MD 2 5 HIS HA 5.170 . 5.170 5.141 4.945 5.229 0.059 7 0 "[ . 1 . 2]" 1
2263 1 58 ILE MD 2 5 HIS HD2 3.630 . 3.630 2.318 2.159 2.507 . 0 0 "[ . 1 . 2]" 1
2264 1 58 ILE MD 2 6 PHE H 5.130 . 5.130 4.882 4.728 4.988 . 0 0 "[ . 1 . 2]" 1
2265 1 58 ILE MD 2 7 GLU HA 4.900 . 4.900 4.525 4.311 4.717 . 0 0 "[ . 1 . 2]" 1
2266 1 58 ILE MD 2 7 GLU HG2 3.800 . 3.800 2.973 2.648 3.203 . 0 0 "[ . 1 . 2]" 1
2267 1 58 ILE HG12 2 5 HIS HD2 4.240 . 4.240 4.282 4.164 4.336 0.096 12 0 "[ . 1 . 2]" 1
2268 1 58 ILE HG12 2 6 PHE H 5.500 . 5.500 5.502 5.360 5.546 0.046 7 0 "[ . 1 . 2]" 1
2269 1 58 ILE HG12 2 7 GLU HG2 4.880 . 4.880 4.853 4.619 5.036 0.156 2 0 "[ . 1 . 2]" 1
2270 1 58 ILE HG13 2 5 HIS HA 5.500 . 5.500 5.196 4.996 5.302 . 0 0 "[ . 1 . 2]" 1
2271 1 58 ILE HG13 2 5 HIS HD2 3.920 . 3.920 2.785 2.681 2.870 . 0 0 "[ . 1 . 2]" 1
2272 1 58 ILE HG13 2 7 GLU HA 4.070 . 4.070 4.065 3.898 4.179 0.109 9 0 "[ . 1 . 2]" 1
2273 1 58 ILE MG 2 5 HIS HD2 4.770 . 4.770 4.498 4.297 4.694 . 0 0 "[ . 1 . 2]" 1
2274 1 58 ILE H 2 6 PHE HB2 4.220 . 4.220 3.599 3.519 3.664 . 0 0 "[ . 1 . 2]" 1
2275 1 58 ILE H 2 7 GLU HA 2.930 . 2.930 2.573 2.461 2.634 . 0 0 "[ . 1 . 2]" 1
2276 1 58 ILE H 2 7 GLU HG2 3.740 . 3.740 3.717 3.440 3.884 0.144 6 0 "[ . 1 . 2]" 1
2277 1 58 ILE H 2 7 GLU H 4.500 . 4.500 4.307 4.260 4.367 . 0 0 "[ . 1 . 2]" 1
2278 1 58 ILE H 2 45 ILE MD 4.800 . 4.800 4.468 4.297 4.699 . 0 0 "[ . 1 . 2]" 1
2279 1 58 ILE H 2 45 ILE MG 5.500 . 5.500 5.599 5.530 5.693 0.193 9 0 "[ . 1 . 2]" 1
2280 1 59 GLU HA 2 8 VAL H 3.420 . 3.420 2.902 2.719 3.110 . 0 0 "[ . 1 . 2]" 1
2281 1 60 ALA HA 2 8 VAL H 5.350 . 5.350 5.232 5.033 5.330 . 0 0 "[ . 1 . 2]" 1
2282 1 60 ALA MB 2 8 VAL H 3.560 . 3.560 3.586 3.502 3.648 0.088 4 0 "[ . 1 . 2]" 1
2283 1 60 ALA MB 2 9 PHE HA 3.900 . 3.900 2.976 2.636 3.272 . 0 0 "[ . 1 . 2]" 1
2284 1 60 ALA MB 2 9 PHE HB3 4.120 . 4.120 2.464 2.103 2.627 . 0 0 "[ . 1 . 2]" 1
2285 1 60 ALA MB 2 9 PHE QD 4.090 . 4.090 4.129 3.843 4.255 0.165 1 0 "[ . 1 . 2]" 1
2286 1 60 ALA MB 2 10 VAL H 4.820 . 4.820 4.679 4.349 4.909 0.089 13 0 "[ . 1 . 2]" 1
2287 1 60 ALA H 2 7 GLU HA 4.100 . 4.100 4.136 4.053 4.211 0.111 7 0 "[ . 1 . 2]" 1
2288 1 60 ALA H 2 8 VAL MG1 4.160 . 4.160 4.085 3.896 4.217 0.057 9 0 "[ . 1 . 2]" 1
2289 1 60 ALA H 2 8 VAL H 2.900 . 2.900 2.855 2.731 2.931 0.031 12 0 "[ . 1 . 2]" 1
2290 1 60 ALA H 2 9 PHE HB3 4.430 . 4.430 4.418 4.141 4.501 0.071 1 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 96
_Distance_constraint_stats_list.Viol_count 224
_Distance_constraint_stats_list.Viol_total 232.292
_Distance_constraint_stats_list.Viol_max 0.165
_Distance_constraint_stats_list.Viol_rms 0.0206
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0519
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 0.751 0.084 13 0 "[ . 1 . 2]"
1 5 HIS 0.486 0.085 6 0 "[ . 1 . 2]"
1 6 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.050 0.036 4 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 0.050 0.036 4 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.486 0.085 6 0 "[ . 1 . 2]"
1 23 ASP 0.751 0.084 13 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 2.334 0.132 1 0 "[ . 1 . 2]"
1 38 LYS 0.107 0.032 8 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LYS 0.179 0.089 14 0 "[ . 1 . 2]"
1 41 ALA 4.028 0.132 1 0 "[ . 1 . 2]"
1 42 LYS 0.117 0.032 8 0 "[ . 1 . 2]"
1 43 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.179 0.089 14 0 "[ . 1 . 2]"
1 45 ILE 1.694 0.117 18 0 "[ . 1 . 2]"
1 46 GLU 0.010 0.004 2 0 "[ . 1 . 2]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 LYS 1.030 0.099 18 0 "[ . 1 . 2]"
2 5 HIS 0.635 0.079 20 0 "[ . 1 . 2]"
2 6 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 GLU 0.061 0.020 10 0 "[ . 1 . 2]"
2 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 ARG 0.061 0.020 10 0 "[ . 1 . 2]"
2 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 VAL 0.635 0.079 20 0 "[ . 1 . 2]"
2 23 ASP 1.030 0.099 18 0 "[ . 1 . 2]"
2 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 SER 2.356 0.165 5 0 "[ . 1 . 2]"
2 38 LYS 0.022 0.013 20 0 "[ . 1 . 2]"
2 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 LYS 0.078 0.031 6 0 "[ . 1 . 2]"
2 41 ALA 4.137 0.165 5 0 "[ . 1 . 2]"
2 42 LYS 0.061 0.016 6 0 "[ . 1 . 2]"
2 43 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 GLY 0.078 0.031 6 0 "[ . 1 . 2]"
2 45 ILE 1.781 0.124 5 0 "[ . 1 . 2]"
2 46 GLU 0.039 0.016 6 0 "[ . 1 . 2]"
2 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 ALA 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 3 LYS O 1 23 ASP N 2.900 2.400 3.300 3.140 2.946 3.228 . 0 0 "[ . 1 . 2]" 2
2 1 3 LYS O 1 23 ASP H 1.900 . 2.300 2.326 2.182 2.384 0.084 13 0 "[ . 1 . 2]" 2
3 1 5 HIS N 1 21 VAL O 2.900 2.400 3.300 3.118 3.020 3.198 . 0 0 "[ . 1 . 2]" 2
4 1 5 HIS H 1 21 VAL O 1.900 . 2.300 2.295 2.201 2.385 0.085 6 0 "[ . 1 . 2]" 2
5 1 5 HIS O 1 21 VAL N 2.900 2.400 3.300 3.183 3.053 3.280 . 0 0 "[ . 1 . 2]" 2
6 1 5 HIS O 1 21 VAL H 1.900 . 2.300 2.239 2.108 2.333 0.033 6 0 "[ . 1 . 2]" 2
7 1 7 GLU N 1 19 ARG O 2.900 2.400 3.300 3.044 2.861 3.223 . 0 0 "[ . 1 . 2]" 2
8 1 7 GLU H 1 19 ARG O 1.900 . 2.300 2.179 2.001 2.336 0.036 4 0 "[ . 1 . 2]" 2
9 1 7 GLU O 1 19 ARG N 2.900 2.400 3.300 3.030 2.883 3.159 . 0 0 "[ . 1 . 2]" 2
10 1 7 GLU O 1 19 ARG H 1.900 . 2.300 2.154 2.025 2.266 . 0 0 "[ . 1 . 2]" 2
11 1 9 PHE N 1 17 ARG O 2.900 2.400 3.300 2.730 2.685 2.758 . 0 0 "[ . 1 . 2]" 2
12 1 9 PHE H 1 17 ARG O 1.900 . 2.300 1.776 1.725 1.805 . 0 0 "[ . 1 . 2]" 2
13 1 9 PHE O 1 17 ARG N 2.900 2.400 3.300 2.832 2.773 2.924 . 0 0 "[ . 1 . 2]" 2
14 1 9 PHE O 1 17 ARG H 1.900 . 2.300 1.856 1.803 1.944 . 0 0 "[ . 1 . 2]" 2
15 1 11 ASP N 1 15 LYS O 2.900 2.400 3.300 2.615 2.547 3.028 . 0 0 "[ . 1 . 2]" 2
16 1 11 ASP H 1 15 LYS O 1.900 . 2.300 1.696 1.635 2.114 . 0 0 "[ . 1 . 2]" 2
17 1 18 TRP O 1 31 SER N 2.900 2.400 3.300 2.823 2.738 2.963 . 0 0 "[ . 1 . 2]" 2
18 1 18 TRP O 1 31 SER H 1.900 . 2.300 1.932 1.845 2.093 . 0 0 "[ . 1 . 2]" 2
19 1 20 LEU N 1 29 ALA O 2.900 2.400 3.300 2.698 2.649 2.753 . 0 0 "[ . 1 . 2]" 2
20 1 20 LEU H 1 29 ALA O 1.900 . 2.300 1.733 1.682 1.779 . 0 0 "[ . 1 . 2]" 2
21 1 6 PHE N 2 56 ASP O 2.900 2.400 3.300 2.670 2.628 2.709 . 0 0 "[ . 1 . 2]" 2
22 1 6 PHE H 2 56 ASP O 1.900 . 2.300 1.824 1.767 1.885 . 0 0 "[ . 1 . 2]" 2
23 1 6 PHE O 2 58 ILE N 2.900 2.400 3.300 2.738 2.688 2.840 . 0 0 "[ . 1 . 2]" 2
24 1 6 PHE O 2 58 ILE H 1.900 . 2.300 1.851 1.770 2.014 . 0 0 "[ . 1 . 2]" 2
25 1 8 VAL N 2 58 ILE O 2.900 2.400 3.300 2.786 2.707 2.861 . 0 0 "[ . 1 . 2]" 2
26 1 8 VAL H 2 58 ILE O 1.900 . 2.300 1.816 1.728 1.896 . 0 0 "[ . 1 . 2]" 2
27 1 8 VAL O 2 60 ALA N 2.900 2.400 3.300 2.748 2.634 2.843 . 0 0 "[ . 1 . 2]" 2
28 1 8 VAL O 2 60 ALA H 1.900 . 2.300 1.890 1.769 1.993 . 0 0 "[ . 1 . 2]" 2
29 1 37 SER O 1 41 ALA N 2.900 2.400 3.300 3.319 3.169 3.370 0.070 18 0 "[ . 1 . 2]" 2
30 1 37 SER O 1 41 ALA H 1.900 . 2.300 2.386 2.248 2.432 0.132 1 0 "[ . 1 . 2]" 2
31 1 38 LYS O 1 42 LYS N 2.900 2.400 3.300 3.171 2.988 3.308 0.008 20 0 "[ . 1 . 2]" 2
32 1 38 LYS O 1 42 LYS H 1.900 . 2.300 2.202 2.010 2.332 0.032 8 0 "[ . 1 . 2]" 2
33 1 39 GLN O 1 43 GLN N 2.900 2.400 3.300 2.741 2.657 2.992 . 0 0 "[ . 1 . 2]" 2
34 1 39 GLN O 1 43 GLN H 1.900 . 2.300 1.815 1.705 2.136 . 0 0 "[ . 1 . 2]" 2
35 1 40 LYS O 1 44 GLY N 2.900 2.400 3.300 2.954 2.828 3.160 . 0 0 "[ . 1 . 2]" 2
36 1 40 LYS O 1 44 GLY H 1.900 . 2.300 2.223 2.058 2.389 0.089 14 0 "[ . 1 . 2]" 2
37 1 41 ALA O 1 45 ILE N 2.900 2.400 3.300 3.288 3.239 3.323 0.023 18 0 "[ . 1 . 2]" 2
38 1 41 ALA O 1 45 ILE H 1.900 . 2.300 2.380 2.333 2.417 0.117 18 0 "[ . 1 . 2]" 2
39 1 42 LYS O 1 46 GLU N 2.900 2.400 3.300 3.065 2.735 3.284 . 0 0 "[ . 1 . 2]" 2
40 1 42 LYS O 1 46 GLU H 1.900 . 2.300 2.106 1.759 2.304 0.004 2 0 "[ . 1 . 2]" 2
41 1 43 GLN O 1 47 SER N 2.900 2.400 3.300 2.803 2.662 2.901 . 0 0 "[ . 1 . 2]" 2
42 1 43 GLN O 1 47 SER H 1.900 . 2.300 1.901 1.754 2.032 . 0 0 "[ . 1 . 2]" 2
43 1 44 GLY O 1 48 VAL N 2.900 2.400 3.300 2.841 2.761 2.967 . 0 0 "[ . 1 . 2]" 2
44 1 44 GLY O 1 48 VAL H 1.900 . 2.300 2.052 1.973 2.168 . 0 0 "[ . 1 . 2]" 2
45 1 45 ILE O 1 49 LYS N 2.900 2.400 3.300 2.946 2.865 3.034 . 0 0 "[ . 1 . 2]" 2
46 1 45 ILE O 1 49 LYS H 1.900 . 2.300 2.013 1.901 2.193 . 0 0 "[ . 1 . 2]" 2
47 2 3 LYS O 2 23 ASP N 2.900 2.400 3.300 3.167 2.975 3.245 . 0 0 "[ . 1 . 2]" 2
48 2 3 LYS O 2 23 ASP H 1.900 . 2.300 2.349 2.266 2.399 0.099 18 0 "[ . 1 . 2]" 2
49 2 5 HIS N 2 21 VAL O 2.900 2.400 3.300 3.145 3.015 3.212 . 0 0 "[ . 1 . 2]" 2
50 2 5 HIS H 2 21 VAL O 1.900 . 2.300 2.315 2.157 2.379 0.079 20 0 "[ . 1 . 2]" 2
51 2 5 HIS O 2 21 VAL N 2.900 2.400 3.300 3.212 3.089 3.264 . 0 0 "[ . 1 . 2]" 2
52 2 5 HIS O 2 21 VAL H 1.900 . 2.300 2.265 2.138 2.331 0.031 20 0 "[ . 1 . 2]" 2
53 2 7 GLU N 2 19 ARG O 2.900 2.400 3.300 3.063 2.820 3.210 . 0 0 "[ . 1 . 2]" 2
54 2 7 GLU H 2 19 ARG O 1.900 . 2.300 2.197 1.934 2.320 0.020 10 0 "[ . 1 . 2]" 2
55 2 7 GLU O 2 19 ARG N 2.900 2.400 3.300 3.058 2.877 3.208 . 0 0 "[ . 1 . 2]" 2
56 2 7 GLU O 2 19 ARG H 1.900 . 2.300 2.178 2.035 2.311 0.011 10 0 "[ . 1 . 2]" 2
57 2 9 PHE N 2 17 ARG O 2.900 2.400 3.300 2.729 2.658 2.801 . 0 0 "[ . 1 . 2]" 2
58 2 9 PHE H 2 17 ARG O 1.900 . 2.300 1.775 1.705 1.844 . 0 0 "[ . 1 . 2]" 2
59 2 9 PHE O 2 17 ARG N 2.900 2.400 3.300 2.825 2.745 2.894 . 0 0 "[ . 1 . 2]" 2
60 2 9 PHE O 2 17 ARG H 1.900 . 2.300 1.853 1.778 1.955 . 0 0 "[ . 1 . 2]" 2
61 2 11 ASP N 2 15 LYS O 2.900 2.400 3.300 2.646 2.566 2.809 . 0 0 "[ . 1 . 2]" 2
62 2 11 ASP H 2 15 LYS O 1.900 . 2.300 1.728 1.636 1.882 . 0 0 "[ . 1 . 2]" 2
63 2 18 TRP O 2 31 SER N 2.900 2.400 3.300 2.848 2.708 3.005 . 0 0 "[ . 1 . 2]" 2
64 2 18 TRP O 2 31 SER H 1.900 . 2.300 1.960 1.770 2.151 . 0 0 "[ . 1 . 2]" 2
65 2 20 LEU N 2 29 ALA O 2.900 2.400 3.300 2.686 2.631 2.755 . 0 0 "[ . 1 . 2]" 2
66 2 20 LEU H 2 29 ALA O 1.900 . 2.300 1.721 1.655 1.780 . 0 0 "[ . 1 . 2]" 2
67 1 56 ASP O 2 6 PHE N 2.900 2.400 3.300 2.681 2.610 2.730 . 0 0 "[ . 1 . 2]" 2
68 1 56 ASP O 2 6 PHE H 1.900 . 2.300 1.833 1.735 1.904 . 0 0 "[ . 1 . 2]" 2
69 1 58 ILE N 2 6 PHE O 2.900 2.400 3.300 2.741 2.695 2.807 . 0 0 "[ . 1 . 2]" 2
70 1 58 ILE H 2 6 PHE O 1.900 . 2.300 1.856 1.770 1.998 . 0 0 "[ . 1 . 2]" 2
71 1 58 ILE O 2 8 VAL N 2.900 2.400 3.300 2.801 2.739 2.999 . 0 0 "[ . 1 . 2]" 2
72 1 58 ILE O 2 8 VAL H 1.900 . 2.300 1.831 1.769 2.038 . 0 0 "[ . 1 . 2]" 2
73 1 60 ALA N 2 8 VAL O 2.900 2.400 3.300 2.756 2.661 3.048 . 0 0 "[ . 1 . 2]" 2
74 1 60 ALA H 2 8 VAL O 1.900 . 2.300 1.888 1.786 2.167 . 0 0 "[ . 1 . 2]" 2
75 2 37 SER O 2 41 ALA N 2.900 2.400 3.300 3.321 3.244 3.402 0.102 5 0 "[ . 1 . 2]" 2
76 2 37 SER O 2 41 ALA H 1.900 . 2.300 2.389 2.326 2.465 0.165 5 0 "[ . 1 . 2]" 2
77 2 38 LYS O 2 42 LYS N 2.900 2.400 3.300 3.114 2.997 3.275 . 0 0 "[ . 1 . 2]" 2
78 2 38 LYS O 2 42 LYS H 1.900 . 2.300 2.147 2.029 2.313 0.013 20 0 "[ . 1 . 2]" 2
79 2 39 GLN O 2 43 GLN N 2.900 2.400 3.300 2.768 2.666 2.884 . 0 0 "[ . 1 . 2]" 2
80 2 39 GLN O 2 43 GLN H 1.900 . 2.300 1.851 1.723 2.004 . 0 0 "[ . 1 . 2]" 2
81 2 40 LYS O 2 44 GLY N 2.900 2.400 3.300 2.968 2.868 3.098 . 0 0 "[ . 1 . 2]" 2
82 2 40 LYS O 2 44 GLY H 1.900 . 2.300 2.225 2.130 2.331 0.031 6 0 "[ . 1 . 2]" 2
83 2 41 ALA O 2 45 ILE N 2.900 2.400 3.300 3.292 3.246 3.328 0.028 10 0 "[ . 1 . 2]" 2
84 2 41 ALA O 2 45 ILE H 1.900 . 2.300 2.384 2.345 2.424 0.124 5 0 "[ . 1 . 2]" 2
85 2 42 LYS O 2 46 GLU N 2.900 2.400 3.300 3.096 2.865 3.288 . 0 0 "[ . 1 . 2]" 2
86 2 42 LYS O 2 46 GLU H 1.900 . 2.300 2.133 1.912 2.316 0.016 6 0 "[ . 1 . 2]" 2
87 2 43 GLN O 2 47 SER N 2.900 2.400 3.300 2.816 2.736 2.903 . 0 0 "[ . 1 . 2]" 2
88 2 43 GLN O 2 47 SER H 1.900 . 2.300 1.914 1.825 2.032 . 0 0 "[ . 1 . 2]" 2
89 2 44 GLY O 2 48 VAL N 2.900 2.400 3.300 2.843 2.794 2.877 . 0 0 "[ . 1 . 2]" 2
90 2 44 GLY O 2 48 VAL H 1.900 . 2.300 2.053 2.005 2.086 . 0 0 "[ . 1 . 2]" 2
91 2 45 ILE O 2 49 LYS N 2.900 2.400 3.300 2.938 2.878 3.003 . 0 0 "[ . 1 . 2]" 2
92 2 45 ILE O 2 49 LYS H 1.900 . 2.300 1.995 1.918 2.074 . 0 0 "[ . 1 . 2]" 2
93 1 30 ASP N 2 30 ASP O 2.900 2.400 3.300 2.700 2.643 2.792 . 0 0 "[ . 1 . 2]" 2
94 1 30 ASP H 2 30 ASP O 1.900 . 2.300 1.827 1.759 1.981 . 0 0 "[ . 1 . 2]" 2
95 1 30 ASP O 2 30 ASP N 2.900 2.400 3.300 2.709 2.648 2.782 . 0 0 "[ . 1 . 2]" 2
96 1 30 ASP O 2 30 ASP H 1.900 . 2.300 1.822 1.740 1.947 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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