NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437503 |
2k37   |
15742 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k37
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 1262
_Distance_constraint_stats_list.Viol_count 1270
_Distance_constraint_stats_list.Viol_total 964.351
_Distance_constraint_stats_list.Viol_max 2.262
_Distance_constraint_stats_list.Viol_rms 0.0489
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.0844
_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 0.000 0.000 . 0 "[ . ]"
1 2 SER 1.904 0.554 8 2 "[ - . + ]"
1 3 GLY 2.174 0.554 8 2 "[ - . + ]"
1 4 GLY 3.421 0.957 6 1 "[ .+ ]"
1 5 GLY 0.400 0.133 2 0 "[ . ]"
1 6 VAL 2.523 0.267 3 0 "[ . ]"
1 7 PHE 3.154 0.957 6 1 "[ .+ ]"
1 8 THR 2.698 0.700 6 1 "[ .+ ]"
1 9 ASP 2.575 0.162 2 0 "[ . ]"
1 10 ILE 6.892 2.262 4 1 "[ +. ]"
1 11 LEU 5.274 2.262 4 1 "[ +. ]"
1 12 ALA 3.319 0.162 2 0 "[ . ]"
1 13 ALA 0.579 0.100 4 0 "[ . ]"
1 14 ALA 3.236 0.141 4 0 "[ . ]"
1 15 GLY 3.113 0.173 9 0 "[ . ]"
1 16 ARG 1.491 0.165 8 0 "[ . ]"
1 17 ILE 6.837 0.173 9 0 "[ . ]"
1 18 PHE 7.531 0.864 6 2 "[ .+ -]"
1 19 GLU 2.805 0.284 3 0 "[ . ]"
1 20 VAL 1.518 0.171 8 0 "[ . ]"
1 21 MET 3.828 0.284 3 0 "[ . ]"
1 22 VAL 4.614 0.864 6 2 "[ .+ -]"
1 23 GLU 10.195 0.804 3 3 "[- + * ]"
1 24 GLY 1.569 0.136 9 0 "[ . ]"
1 25 HIS 3.186 0.157 3 0 "[ . ]"
1 26 TRP 6.538 0.804 3 3 "[- + * ]"
1 27 GLU 5.593 0.345 6 0 "[ . ]"
1 28 THR 4.361 0.930 5 1 "[ + ]"
1 29 VAL 10.055 0.345 6 0 "[ . ]"
1 30 GLY 3.553 0.279 9 0 "[ . ]"
1 31 MET 3.062 0.930 5 1 "[ + ]"
1 32 LEU 3.098 0.288 3 0 "[ . ]"
1 33 PHE 2.468 0.193 2 0 "[ . ]"
1 34 ASP 2.593 0.197 2 0 "[ . ]"
1 35 SER 0.712 0.115 9 0 "[ . ]"
1 36 LEU 3.439 0.225 6 0 "[ . ]"
1 37 GLY 2.659 0.190 4 0 "[ . ]"
1 38 LYS 6.679 0.897 4 1 "[ +. ]"
1 39 GLY 4.154 0.349 9 0 "[ . ]"
1 40 THR 5.886 0.369 3 0 "[ . ]"
1 41 MET 5.438 0.897 4 1 "[ +. ]"
1 42 ARG 3.395 0.516 1 1 "[+ . ]"
1 43 ILE 2.035 0.106 1 0 "[ . ]"
1 44 ASN 2.439 0.167 1 0 "[ . ]"
1 45 ARG 5.276 0.817 2 2 "[ + - ]"
1 46 ASN 3.141 0.516 1 1 "[+ . ]"
1 47 ALA 1.438 0.103 2 0 "[ . ]"
1 48 TYR 3.165 0.498 1 0 "[ . ]"
1 49 GLY 0.939 0.095 8 0 "[ . ]"
1 50 SER 1.321 0.211 6 0 "[ . ]"
1 51 MET 4.369 0.498 1 0 "[ . ]"
1 52 GLY 1.675 0.336 7 0 "[ . ]"
1 53 GLY 0.780 0.214 9 0 "[ . ]"
1 54 GLY 1.414 0.513 5 1 "[ + ]"
1 55 SER 0.347 0.170 9 0 "[ . ]"
1 56 LEU 1.578 0.496 8 0 "[ . ]"
1 57 ARG 6.178 0.700 8 3 "[- * + ]"
1 58 GLY 0.272 0.104 2 0 "[ . ]"
1 59 SER 0.004 0.004 4 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET HB3 3.784 . 5.574 2.245 2.215 2.280 . 0 0 "[ . ]" 1
2 1 1 MET HA 1 1 MET QG 3.722 . 5.454 2.868 2.359 3.487 . 0 0 "[ . ]" 1
3 1 1 MET HA 1 2 SER H 2.463 . 3.221 2.665 2.194 3.221 . 0 0 "[ . ]" 1
4 1 1 MET HB2 1 2 SER H 3.740 . 5.489 3.999 3.024 4.466 . 0 0 "[ . ]" 1
5 1 1 MET HB3 1 2 SER H 3.551 . 5.127 3.901 1.985 4.538 . 0 0 "[ . ]" 1
6 1 1 MET ME 1 2 SER H 4.157 . 6.318 5.651 4.851 6.158 . 0 0 "[ . ]" 1
7 1 1 MET QG 1 2 SER H 3.895 . 5.792 4.168 3.151 4.834 . 0 0 "[ . ]" 1
8 1 2 SER H 1 2 SER HA 2.908 . 3.965 2.820 2.271 2.947 . 0 0 "[ . ]" 1
9 1 2 SER H 1 2 SER HB2 2.955 . 4.046 3.060 2.487 4.021 . 0 0 "[ . ]" 1
10 1 2 SER H 1 2 SER HB3 3.225 . 4.525 3.536 2.694 3.921 . 0 0 "[ . ]" 1
11 1 2 SER H 1 3 GLY H 3.032 . 4.181 3.062 1.892 4.177 . 0 0 "[ . ]" 1
12 1 2 SER H 1 4 GLY H 3.341 . 4.736 4.294 3.794 4.740 0.004 1 0 "[ . ]" 1
13 1 2 SER H 1 6 VAL H 4.457 . 6.940 5.504 3.645 6.952 0.012 2 0 "[ . ]" 1
14 1 2 SER HA 1 3 GLY H 2.517 . 3.309 2.779 2.141 3.508 0.199 3 0 "[ . ]" 1
15 1 2 SER HA 1 4 GLY H 3.647 . 5.309 4.737 3.712 5.323 0.014 8 0 "[ . ]" 1
16 1 2 SER HA 1 5 GLY H 4.205 . 6.415 4.868 4.018 5.871 . 0 0 "[ . ]" 1
17 1 2 SER HB3 1 3 GLY H 2.858 . 3.879 3.942 3.450 4.433 0.554 8 2 "[ - . + ]" 1
18 1 3 GLY H 1 3 GLY HA2 2.433 . 3.173 2.561 2.319 2.955 . 0 0 "[ . ]" 1
19 1 3 GLY H 1 3 GLY HA3 2.555 . 3.371 2.843 2.481 2.956 . 0 0 "[ . ]" 1
20 1 3 GLY H 1 4 GLY H 2.820 . 3.814 3.253 2.453 3.836 0.022 2 0 "[ . ]" 1
21 1 3 GLY H 1 5 GLY H 3.052 . 4.216 3.160 2.813 3.957 . 0 0 "[ . ]" 1
22 1 3 GLY H 1 6 VAL H 3.820 . 5.644 4.236 3.140 5.407 . 0 0 "[ . ]" 1
23 1 3 GLY H 1 6 VAL HB 3.745 . 5.498 5.286 4.038 5.567 0.069 6 0 "[ . ]" 1
24 1 3 GLY H 1 6 VAL QG 4.499 . 7.029 3.756 2.936 4.507 . 0 0 "[ . ]" 1
25 1 3 GLY HA2 1 6 VAL QG 2.784 . 3.753 3.473 3.123 3.660 . 0 0 "[ . ]" 1
26 1 3 GLY HA2 1 6 VAL QG 3.815 . 5.634 4.518 3.717 5.613 . 0 0 "[ . ]" 1
27 1 3 GLY HA3 1 6 VAL QG 3.174 . 4.433 3.990 3.248 4.587 0.154 4 0 "[ . ]" 1
28 1 4 GLY H 1 4 GLY HA2 2.164 . 2.749 2.735 2.302 2.930 0.181 1 0 "[ . ]" 1
29 1 4 GLY H 1 4 GLY HA3 2.303 . 2.966 2.511 2.297 2.886 . 0 0 "[ . ]" 1
30 1 4 GLY H 1 5 GLY H 2.295 . 2.953 2.450 1.847 2.758 . 0 0 "[ . ]" 1
31 1 4 GLY H 1 6 VAL H 3.462 . 4.960 4.322 2.920 4.972 0.012 9 0 "[ . ]" 1
32 1 4 GLY H 1 7 PHE QB 3.544 . 5.114 4.411 3.149 5.252 0.138 6 0 "[ . ]" 1
33 1 4 GLY QA 1 7 PHE QB 2.289 . 2.944 2.483 1.965 3.113 0.169 5 0 "[ . ]" 1
34 1 4 GLY HA2 1 7 PHE QD 3.385 . 4.817 4.058 2.453 5.774 0.957 6 1 "[ .+ ]" 1
35 1 4 GLY HA2 1 8 THR H 2.662 . 3.548 3.239 2.491 4.248 0.700 6 1 "[ .+ ]" 1
36 1 4 GLY HA3 1 5 GLY H 1.919 . 6.000 3.232 2.986 3.505 . 0 0 "[ . ]" 1
37 1 4 GLY HA3 1 7 PHE QD 3.209 . 6.000 4.933 3.688 5.764 . 0 0 "[ . ]" 1
38 1 4 GLY HA3 1 8 THR H 3.018 . 4.157 3.976 2.644 4.252 0.095 7 0 "[ . ]" 1
39 1 5 GLY H 1 5 GLY QA 1.976 . 2.464 2.220 2.200 2.281 . 0 0 "[ . ]" 1
40 1 5 GLY H 1 6 VAL H 2.678 . 3.574 2.747 2.194 2.924 . 0 0 "[ . ]" 1
41 1 5 GLY H 1 6 VAL HB 3.735 . 5.479 4.970 4.327 5.465 . 0 0 "[ . ]" 1
42 1 5 GLY H 1 6 VAL QG 3.774 . 5.555 3.894 3.688 4.703 . 0 0 "[ . ]" 1
43 1 5 GLY H 1 7 PHE H 3.896 . 5.793 3.910 3.585 4.056 . 0 0 "[ . ]" 1
44 1 5 GLY H 1 7 PHE QD 4.530 . 7.096 6.371 5.048 6.651 . 0 0 "[ . ]" 1
45 1 5 GLY H 1 8 THR H 2.816 . 6.000 4.634 4.492 4.951 . 0 0 "[ . ]" 1
46 1 5 GLY H 1 8 THR MG 4.368 . 6.753 6.470 6.214 6.702 . 0 0 "[ . ]" 1
47 1 5 GLY QA 1 6 VAL H 2.149 . 2.727 2.668 2.476 2.860 0.133 2 0 "[ . ]" 1
48 1 6 VAL H 1 6 VAL HA 2.384 . 3.094 2.764 2.239 2.872 . 0 0 "[ . ]" 1
49 1 6 VAL H 1 6 VAL HB 2.283 . 2.935 2.874 2.579 3.202 0.267 3 0 "[ . ]" 1
50 1 6 VAL H 1 6 VAL QG 2.553 . 3.368 2.496 1.868 3.206 . 0 0 "[ . ]" 1
51 1 6 VAL H 1 7 PHE QD 5.388 . 9.016 5.808 4.541 6.330 . 0 0 "[ . ]" 1
52 1 6 VAL HA 1 6 VAL HB 2.571 . 3.397 2.632 2.408 3.030 . 0 0 "[ . ]" 1
53 1 6 VAL HA 1 6 VAL QG 2.374 . 3.078 2.199 1.938 2.329 . 0 0 "[ . ]" 1
54 1 6 VAL HA 1 7 PHE H 3.044 . 4.203 3.496 3.246 3.575 . 0 0 "[ . ]" 1
55 1 6 VAL HA 1 9 ASP H 2.785 . 3.754 3.323 3.172 3.497 . 0 0 "[ . ]" 1
56 1 6 VAL HA 1 9 ASP HA 3.683 . 5.378 5.273 5.116 5.372 . 0 0 "[ . ]" 1
57 1 6 VAL HA 1 9 ASP QB 2.198 . 3.187 2.552 2.385 2.888 . 0 0 "[ . ]" 1
58 1 6 VAL HA 1 10 ILE HG13 3.561 . 5.146 4.388 4.244 4.773 . 0 0 "[ . ]" 1
59 1 6 VAL HB 1 6 VAL QG 2.058 . 2.587 1.892 1.890 1.895 . 0 0 "[ . ]" 1
60 1 6 VAL HB 1 6 VAL QG 1.982 . 2.473 1.768 1.766 1.771 . 0 0 "[ . ]" 1
61 1 6 VAL HB 1 7 PHE H 2.726 . 3.655 3.460 2.234 3.836 0.181 8 0 "[ . ]" 1
62 1 6 VAL QG 1 7 PHE H 3.269 . 4.150 2.319 1.891 3.114 0.042 9 0 "[ . ]" 1
63 1 6 VAL QG 1 7 PHE HA 3.854 . 5.710 3.014 2.844 3.269 . 0 0 "[ . ]" 1
64 1 6 VAL QG 1 7 PHE QB 3.013 . 4.148 2.915 2.709 3.359 . 0 0 "[ . ]" 1
65 1 6 VAL QG 1 7 PHE QB 3.609 . 5.237 2.903 2.604 3.545 . 0 0 "[ . ]" 1
66 1 6 VAL QG 1 8 THR H 4.022 . 4.919 4.155 3.880 4.546 . 0 0 "[ . ]" 1
67 1 6 VAL QG 1 9 ASP H 3.308 . 4.676 4.050 3.828 4.273 . 0 0 "[ . ]" 1
68 1 6 VAL QG 1 9 ASP QB 3.012 . 4.146 3.282 2.745 3.519 . 0 0 "[ . ]" 1
69 1 6 VAL MG1 1 6 VAL MG2 1.728 . 2.101 1.759 1.750 1.768 . 0 0 "[ . ]" 1
70 1 7 PHE H 1 7 PHE QB 2.225 . 2.844 2.232 2.204 2.247 . 0 0 "[ . ]" 1
71 1 7 PHE H 1 7 PHE QD 3.168 . 6.000 4.083 3.484 4.178 . 0 0 "[ . ]" 1
72 1 7 PHE H 1 8 THR H 2.332 . 3.012 2.711 2.566 2.831 . 0 0 "[ . ]" 1
73 1 7 PHE HA 1 7 PHE QB 2.193 . 2.794 2.365 2.159 2.404 . 0 0 "[ . ]" 1
74 1 7 PHE HA 1 7 PHE QD 2.778 . 3.742 3.131 3.047 3.530 . 0 0 "[ . ]" 1
75 1 7 PHE HA 1 10 ILE HB 2.368 . 3.069 2.456 2.382 2.509 . 0 0 "[ . ]" 1
76 1 7 PHE HA 1 10 ILE MD 2.440 . 3.184 1.932 1.803 2.123 . 0 0 "[ . ]" 1
77 1 7 PHE HA 1 10 ILE HG12 3.080 . 4.266 4.288 4.242 4.330 0.064 4 0 "[ . ]" 1
78 1 7 PHE HA 1 10 ILE MG 2.720 . 3.645 3.675 3.617 3.718 0.073 6 0 "[ . ]" 1
79 1 7 PHE HA 1 11 LEU QD 3.210 . 6.000 4.772 4.624 5.394 . 0 0 "[ . ]" 1
80 1 7 PHE QB 1 7 PHE QD 2.515 . 3.306 2.124 2.118 2.143 . 0 0 "[ . ]" 1
81 1 7 PHE QB 1 8 THR H 2.625 . 3.487 2.708 2.456 3.497 0.010 5 0 "[ . ]" 1
82 1 7 PHE QB 1 8 THR MG 3.859 . 5.721 5.260 5.111 5.753 0.032 5 0 "[ . ]" 1
83 1 7 PHE QB 1 10 ILE H 3.204 . 4.487 3.910 3.646 4.109 . 0 0 "[ . ]" 1
84 1 7 PHE QB 1 10 ILE MG 3.465 . 4.966 4.914 4.340 5.028 0.062 1 0 "[ . ]" 1
85 1 7 PHE QB 1 10 ILE MG 3.713 . 5.436 4.746 4.293 4.881 . 0 0 "[ . ]" 1
86 1 7 PHE QB 1 11 LEU QD 3.169 . 4.425 4.015 3.837 4.466 0.041 4 0 "[ . ]" 1
87 1 7 PHE QD 1 8 THR H 3.921 . 5.843 3.487 2.957 3.740 . 0 0 "[ . ]" 1
88 1 7 PHE QD 1 8 THR HB 3.683 . 5.378 5.190 4.635 5.360 . 0 0 "[ . ]" 1
89 1 7 PHE QD 1 8 THR MG 4.360 . 6.736 4.621 4.007 4.814 . 0 0 "[ . ]" 1
90 1 7 PHE QD 1 10 ILE H 3.277 . 6.000 5.105 4.796 5.288 . 0 0 "[ . ]" 1
91 1 7 PHE QD 1 10 ILE HB 3.324 . 4.705 4.161 4.107 4.211 . 0 0 "[ . ]" 1
92 1 7 PHE QD 1 10 ILE MG 3.097 . 6.000 4.406 4.179 4.951 . 0 0 "[ . ]" 1
93 1 7 PHE QD 1 11 LEU H 4.245 . 6.497 4.353 3.952 4.622 . 0 0 "[ . ]" 1
94 1 7 PHE QD 1 11 LEU QB 3.602 . 5.224 3.802 2.909 4.041 . 0 0 "[ . ]" 1
95 1 8 THR H 1 8 THR HA 2.364 . 3.063 2.839 2.809 2.867 . 0 0 "[ . ]" 1
96 1 8 THR H 1 8 THR HB 2.456 . 3.210 2.595 2.488 2.706 . 0 0 "[ . ]" 1
97 1 8 THR H 1 8 THR MG 2.929 . 4.001 3.779 3.757 3.798 . 0 0 "[ . ]" 1
98 1 8 THR H 1 9 ASP H 2.461 . 3.218 2.538 2.430 2.604 . 0 0 "[ . ]" 1
99 1 8 THR H 1 9 ASP HA 3.405 . 6.000 5.177 5.075 5.225 . 0 0 "[ . ]" 1
100 1 8 THR H 1 9 ASP QB 3.854 . 5.710 4.265 4.197 4.319 . 0 0 "[ . ]" 1
101 1 8 THR H 1 10 ILE H 3.105 . 4.310 3.966 3.885 4.183 . 0 0 "[ . ]" 1
102 1 8 THR H 1 10 ILE HB 4.109 . 6.220 4.707 4.589 4.835 . 0 0 "[ . ]" 1
103 1 8 THR H 1 10 ILE HG13 3.794 . 5.593 4.886 4.752 4.986 . 0 0 "[ . ]" 1
104 1 8 THR H 1 11 LEU QB 3.320 . 4.698 4.494 4.158 4.602 . 0 0 "[ . ]" 1
105 1 8 THR H 1 11 LEU QD 3.081 . 4.267 4.028 3.918 4.189 . 0 0 "[ . ]" 1
106 1 8 THR H 1 11 LEU HG 3.517 . 5.063 4.964 4.895 5.091 0.028 4 0 "[ . ]" 1
107 1 8 THR H 1 12 ALA H 3.643 . 6.000 5.743 5.578 5.828 . 0 0 "[ . ]" 1
108 1 8 THR HA 1 8 THR HB 2.839 . 3.846 3.005 2.991 3.016 . 0 0 "[ . ]" 1
109 1 8 THR HA 1 8 THR MG 2.189 . 2.788 2.363 2.276 2.473 . 0 0 "[ . ]" 1
110 1 8 THR HA 1 9 ASP H 2.396 . 6.000 3.497 3.470 3.527 . 0 0 "[ . ]" 1
111 1 8 THR HA 1 11 LEU H 3.056 . 4.223 3.034 2.915 3.185 . 0 0 "[ . ]" 1
112 1 8 THR HA 1 12 ALA H 3.487 . 5.007 3.929 3.639 4.081 . 0 0 "[ . ]" 1
113 1 8 THR HA 1 12 ALA MB 3.358 . 4.767 4.723 4.562 4.822 0.055 2 0 "[ . ]" 1
114 1 8 THR HB 1 8 THR MG 2.410 . 3.136 2.131 2.124 2.133 . 0 0 "[ . ]" 1
115 1 8 THR HB 1 9 ASP H 2.654 . 3.534 2.795 2.651 2.882 . 0 0 "[ . ]" 1
116 1 8 THR HB 1 9 ASP HA 3.889 . 5.780 4.242 4.089 4.368 . 0 0 "[ . ]" 1
117 1 8 THR HB 1 10 ILE HB 2.286 . 6.000 5.840 5.176 6.183 0.183 3 0 "[ . ]" 1
118 1 8 THR HB 1 11 LEU H 2.650 . 6.000 5.077 4.941 5.178 . 0 0 "[ . ]" 1
119 1 8 THR HB 1 11 LEU QB 2.571 . 5.013 4.487 4.424 4.734 . 0 0 "[ . ]" 1
120 1 8 THR HB 1 11 LEU QB 2.808 . 3.793 3.786 3.541 3.949 0.156 9 0 "[ . ]" 1
121 1 8 THR HB 1 11 LEU QD 2.855 . 4.701 4.370 3.686 4.589 . 0 0 "[ . ]" 1
122 1 8 THR HB 1 11 LEU HG 2.461 . 6.000 5.842 4.433 6.036 0.036 8 0 "[ . ]" 1
123 1 8 THR HB 1 12 ALA H 2.945 . 6.000 5.225 5.097 5.301 . 0 0 "[ . ]" 1
124 1 8 THR MG 1 9 ASP H 3.074 . 4.255 3.700 3.552 3.816 . 0 0 "[ . ]" 1
125 1 8 THR MG 1 9 ASP HA 3.256 . 4.581 3.708 3.544 3.893 . 0 0 "[ . ]" 1
126 1 8 THR MG 1 11 LEU H 3.375 . 4.799 4.245 4.186 4.293 . 0 0 "[ . ]" 1
127 1 8 THR MG 1 11 LEU QB 3.209 . 4.496 2.947 2.767 3.556 . 0 0 "[ . ]" 1
128 1 8 THR MG 1 11 LEU QD 2.625 . 3.487 2.789 1.775 3.072 . 0 0 "[ . ]" 1
129 1 8 THR MG 1 12 ALA H 3.195 . 4.471 3.699 3.564 3.763 . 0 0 "[ . ]" 1
130 1 8 THR MG 1 12 ALA MB 2.413 . 3.141 3.131 3.066 3.172 0.031 6 0 "[ . ]" 1
131 1 9 ASP H 1 9 ASP HA 2.447 . 3.195 2.837 2.817 2.848 . 0 0 "[ . ]" 1
132 1 9 ASP H 1 9 ASP QB 2.641 . 3.184 2.101 2.056 2.178 . 0 0 "[ . ]" 1
133 1 9 ASP H 1 10 ILE H 2.191 . 2.791 2.423 2.389 2.484 . 0 0 "[ . ]" 1
134 1 9 ASP H 1 10 ILE HA 3.238 . 6.000 5.089 5.068 5.120 . 0 0 "[ . ]" 1
135 1 9 ASP H 1 10 ILE HB 3.059 . 4.228 4.310 4.296 4.324 0.096 4 0 "[ . ]" 1
136 1 9 ASP H 1 10 ILE MD 2.938 . 6.000 4.958 4.902 5.067 . 0 0 "[ . ]" 1
137 1 9 ASP H 1 10 ILE HG12 3.842 . 5.687 5.716 5.657 5.749 0.062 9 0 "[ . ]" 1
138 1 9 ASP H 1 10 ILE HG13 3.367 . 4.784 4.147 4.094 4.181 . 0 0 "[ . ]" 1
139 1 9 ASP H 1 10 ILE MG 3.502 . 6.000 5.543 5.534 5.550 . 0 0 "[ . ]" 1
140 1 9 ASP H 1 12 ALA H 3.207 . 4.493 4.285 4.258 4.299 . 0 0 "[ . ]" 1
141 1 9 ASP H 1 12 ALA MB 3.067 . 4.243 4.352 4.286 4.405 0.162 2 0 "[ . ]" 1
142 1 9 ASP HA 1 9 ASP QB 2.265 . 2.906 2.398 2.127 2.543 . 0 0 "[ . ]" 1
143 1 9 ASP HA 1 10 ILE H 3.021 . 4.161 3.467 3.452 3.480 . 0 0 "[ . ]" 1
144 1 9 ASP HA 1 10 ILE HA 4.457 . 6.940 4.824 4.811 4.841 . 0 0 "[ . ]" 1
145 1 9 ASP HA 1 11 LEU H 3.063 . 4.236 4.038 3.732 4.235 . 0 0 "[ . ]" 1
146 1 9 ASP HA 1 12 ALA H 2.992 . 4.111 3.006 2.849 3.252 . 0 0 "[ . ]" 1
147 1 9 ASP HA 1 12 ALA MB 2.272 . 2.917 2.115 2.048 2.215 . 0 0 "[ . ]" 1
148 1 9 ASP HA 1 13 ALA H 3.121 . 4.339 3.739 3.446 3.865 . 0 0 "[ . ]" 1
149 1 9 ASP HA 1 13 ALA MB 3.203 . 4.485 4.517 4.203 4.585 0.100 4 0 "[ . ]" 1
150 1 9 ASP QB 1 10 ILE H 2.754 . 3.625 2.775 2.561 3.127 . 0 0 "[ . ]" 1
151 1 9 ASP QB 1 10 ILE HG13 3.774 . 5.554 3.595 3.274 4.185 . 0 0 "[ . ]" 1
152 1 9 ASP QB 1 11 LEU H 3.255 . 4.955 4.514 4.381 4.585 . 0 0 "[ . ]" 1
153 1 9 ASP QB 1 12 ALA H 3.610 . 5.239 4.547 4.435 4.664 . 0 0 "[ . ]" 1
154 1 9 ASP QB 1 12 ALA MB 3.064 . 4.238 3.789 3.479 3.965 . 0 0 "[ . ]" 1
155 1 9 ASP QB 1 13 ALA H 3.568 . 4.869 4.603 4.508 4.671 . 0 0 "[ . ]" 1
156 1 9 ASP QB 1 13 ALA MB 3.162 . 4.412 4.282 4.216 4.357 . 0 0 "[ . ]" 1
157 1 10 ILE H 1 11 LEU HG 2.521 . 6.000 3.654 3.567 3.787 . 0 0 "[ . ]" 1
158 1 10 ILE H 1 10 ILE HA 2.446 . 3.194 2.799 2.766 2.816 . 0 0 "[ . ]" 1
159 1 10 ILE H 1 10 ILE HB 2.211 . 2.822 2.320 2.284 2.347 . 0 0 "[ . ]" 1
160 1 10 ILE H 1 10 ILE MD 2.606 . 3.455 3.524 3.504 3.552 0.097 6 0 "[ . ]" 1
161 1 10 ILE H 1 10 ILE HG12 2.658 . 3.541 3.462 3.336 3.558 0.017 9 0 "[ . ]" 1
162 1 10 ILE H 1 10 ILE HG13 2.433 . 3.173 2.199 2.115 2.286 . 0 0 "[ . ]" 1
163 1 10 ILE H 1 10 ILE MG 2.253 . 6.000 3.688 3.678 3.696 . 0 0 "[ . ]" 1
164 1 10 ILE H 1 11 LEU H 2.320 . 2.993 2.484 2.464 2.520 . 0 0 "[ . ]" 1
165 1 10 ILE H 1 11 LEU QB 3.089 . 4.282 4.087 3.974 4.213 . 0 0 "[ . ]" 1
166 1 10 ILE H 1 11 LEU HG 2.785 . 6.000 4.756 4.642 5.088 . 0 0 "[ . ]" 1
167 1 10 ILE H 1 12 ALA H 3.164 . 4.416 3.828 3.718 4.004 . 0 0 "[ . ]" 1
168 1 10 ILE HA 1 10 ILE HB 2.691 . 3.596 3.017 3.015 3.019 . 0 0 "[ . ]" 1
169 1 10 ILE HA 1 10 ILE MD 2.464 . 6.000 3.795 3.761 3.804 . 0 0 "[ . ]" 1
170 1 10 ILE HA 1 10 ILE HG12 2.301 . 2.963 2.448 2.378 2.473 . 0 0 "[ . ]" 1
171 1 10 ILE HA 1 10 ILE HG13 2.466 . 3.226 2.887 2.852 2.921 . 0 0 "[ . ]" 1
172 1 10 ILE HA 1 10 ILE MG 2.353 . 3.045 2.513 2.483 2.539 . 0 0 "[ . ]" 1
173 1 10 ILE HA 1 11 LEU H 2.964 . 4.062 3.462 3.420 3.490 . 0 0 "[ . ]" 1
174 1 10 ILE HA 1 12 ALA H 3.281 . 4.627 4.311 4.227 4.469 . 0 0 "[ . ]" 1
175 1 10 ILE HA 1 13 ALA H 2.430 . 6.000 3.565 3.303 3.863 . 0 0 "[ . ]" 1
176 1 10 ILE HA 1 13 ALA MB 2.332 . 3.012 2.798 2.538 3.024 0.012 3 0 "[ . ]" 1
177 1 10 ILE HA 1 14 ALA H 2.952 . 4.042 3.763 3.620 3.829 . 0 0 "[ . ]" 1
178 1 10 ILE HA 1 14 ALA HA 4.112 . 6.225 6.122 5.892 6.245 0.020 1 0 "[ . ]" 1
179 1 10 ILE HB 1 10 ILE MD 1.952 . 2.428 2.422 2.404 2.450 0.022 6 0 "[ . ]" 1
180 1 10 ILE HB 1 10 ILE HG12 2.646 . 3.521 3.014 3.005 3.021 . 0 0 "[ . ]" 1
181 1 10 ILE HB 1 10 ILE MG 1.944 . 2.416 1.895 1.892 1.898 . 0 0 "[ . ]" 1
182 1 10 ILE HB 1 11 LEU H 2.545 . 3.355 2.579 2.443 2.750 . 0 0 "[ . ]" 1
183 1 10 ILE HB 1 13 ALA MB 2.776 . 6.000 5.247 4.969 5.485 . 0 0 "[ . ]" 1
184 1 10 ILE MD 1 10 ILE HG12 2.184 . 2.780 2.119 2.118 2.121 . 0 0 "[ . ]" 1
185 1 10 ILE MD 1 10 ILE HG13 1.653 . 1.994 1.884 1.882 1.885 . 0 0 "[ . ]" 1
186 1 10 ILE MD 1 10 ILE MG 1.492 . 1.770 1.719 1.695 1.745 . 0 0 "[ . ]" 1
187 1 10 ILE HG12 1 10 ILE MG 2.187 . 2.785 2.414 2.388 2.452 . 0 0 "[ . ]" 1
188 1 10 ILE HG12 1 11 LEU H 3.418 . 4.878 4.905 4.886 4.928 0.050 4 0 "[ . ]" 1
189 1 10 ILE HG12 1 12 ALA H 4.167 . 6.338 6.410 6.360 6.499 0.161 6 0 "[ . ]" 1
190 1 10 ILE HG13 1 10 ILE MG 2.447 . 3.195 3.209 3.207 3.212 0.017 2 0 "[ . ]" 1
191 1 10 ILE HG13 1 11 LEU H 3.091 . 4.285 4.214 4.204 4.237 . 0 0 "[ . ]" 1
192 1 10 ILE MG 1 11 LEU H 2.804 . 3.787 3.299 3.147 3.446 . 0 0 "[ . ]" 1
193 1 10 ILE MG 1 11 LEU HA 3.007 . 4.137 3.354 3.282 3.410 . 0 0 "[ . ]" 1
194 1 10 ILE MG 1 11 LEU HG 2.699 . 3.609 3.888 3.617 5.871 2.262 4 1 "[ +. ]" 1
195 1 10 ILE MG 1 12 ALA H 3.731 . 5.471 4.870 4.764 5.030 . 0 0 "[ . ]" 1
196 1 10 ILE MG 1 14 ALA H 3.338 . 4.731 3.940 3.785 4.150 . 0 0 "[ . ]" 1
197 1 10 ILE MG 1 14 ALA MB 2.521 . 3.315 3.249 2.960 3.374 0.059 9 0 "[ . ]" 1
198 1 11 LEU H 1 11 LEU HA 2.242 . 2.870 2.844 2.814 2.886 0.016 6 0 "[ . ]" 1
199 1 11 LEU H 1 11 LEU QB 2.506 . 3.291 2.192 1.998 2.226 . 0 0 "[ . ]" 1
200 1 11 LEU H 1 11 LEU QD 2.800 . 3.780 3.321 3.245 3.458 . 0 0 "[ . ]" 1
201 1 11 LEU H 1 11 LEU HG 2.344 . 3.031 2.783 2.623 3.164 0.133 4 0 "[ . ]" 1
202 1 11 LEU H 1 12 ALA H 2.510 . 3.297 2.406 2.304 2.492 . 0 0 "[ . ]" 1
203 1 11 LEU H 1 12 ALA HA 3.387 . 6.000 5.079 4.991 5.152 . 0 0 "[ . ]" 1
204 1 11 LEU H 1 14 ALA H 3.294 . 4.651 4.685 4.564 4.739 0.088 5 0 "[ . ]" 1
205 1 11 LEU H 1 15 GLY H 3.406 . 6.000 5.555 5.432 5.633 . 0 0 "[ . ]" 1
206 1 11 LEU HA 1 11 LEU QB 2.421 . 3.154 2.416 2.140 2.458 . 0 0 "[ . ]" 1
207 1 11 LEU HA 1 11 LEU QD 2.325 . 3.001 2.051 1.900 2.966 . 0 0 "[ . ]" 1
208 1 11 LEU HA 1 12 ALA H 2.555 . 3.371 3.465 3.433 3.474 0.103 6 0 "[ . ]" 1
209 1 11 LEU HA 1 14 ALA H 2.922 . 3.989 3.743 3.669 3.898 . 0 0 "[ . ]" 1
210 1 11 LEU HA 1 15 GLY H 2.676 . 3.571 3.627 3.603 3.660 0.089 4 0 "[ . ]" 1
211 1 11 LEU QB 1 11 LEU QD . . 2.271 1.940 1.906 1.952 . 0 0 "[ . ]" 1
212 1 11 LEU QB 1 12 ALA H 2.736 . 3.672 2.657 2.558 3.070 . 0 0 "[ . ]" 1
213 1 11 LEU QB 1 14 ALA H 3.859 . 5.721 5.188 5.162 5.242 . 0 0 "[ . ]" 1
214 1 11 LEU QB 1 15 GLY HA3 3.745 . 5.498 4.157 2.532 4.765 . 0 0 "[ . ]" 1
215 1 11 LEU QD 1 11 LEU HG 2.157 . 2.739 1.894 1.885 1.897 . 0 0 "[ . ]" 1
216 1 11 LEU QD 1 12 ALA H 3.172 . 4.430 3.981 2.894 4.145 . 0 0 "[ . ]" 1
217 1 11 LEU QD 1 14 ALA H 3.595 . 5.210 4.949 4.875 5.078 . 0 0 "[ . ]" 1
218 1 12 ALA H 1 12 ALA HA 2.279 . 2.928 2.835 2.814 2.846 . 0 0 "[ . ]" 1
219 1 12 ALA H 1 12 ALA MB 2.080 . 2.621 2.197 2.150 2.228 . 0 0 "[ . ]" 1
220 1 12 ALA H 1 13 ALA H 2.413 . 3.141 2.564 2.483 2.746 . 0 0 "[ . ]" 1
221 1 12 ALA H 1 16 ARG H 2.898 . 6.000 5.756 5.671 5.882 . 0 0 "[ . ]" 1
222 1 12 ALA HA 1 12 ALA MB 2.056 . 2.584 2.130 2.119 2.136 . 0 0 "[ . ]" 1
223 1 12 ALA HA 1 13 ALA H 2.790 . 3.763 3.513 3.497 3.535 . 0 0 "[ . ]" 1
224 1 12 ALA HA 1 15 GLY H 2.733 . 3.666 3.736 3.714 3.753 0.087 2 0 "[ . ]" 1
225 1 12 ALA MB 1 13 ALA H 2.319 . 2.991 2.421 2.296 2.566 . 0 0 "[ . ]" 1
226 1 12 ALA MB 1 16 ARG QB 2.696 . 6.000 4.386 4.189 4.610 . 0 0 "[ . ]" 1
227 1 12 ALA MB 1 16 ARG QD 3.799 . 5.603 5.034 4.110 5.330 . 0 0 "[ . ]" 1
228 1 13 ALA H 1 13 ALA HA 2.289 . 2.944 2.806 2.777 2.821 . 0 0 "[ . ]" 1
229 1 13 ALA H 1 13 ALA MB 2.032 . 2.548 2.189 2.156 2.214 . 0 0 "[ . ]" 1
230 1 13 ALA H 1 14 ALA H 2.454 . 3.207 2.813 2.777 2.898 . 0 0 "[ . ]" 1
231 1 13 ALA HA 1 13 ALA MB 1.835 . 2.256 1.893 1.886 1.896 . 0 0 "[ . ]" 1
232 1 13 ALA HA 1 16 ARG QB 2.827 . 3.826 2.755 2.397 3.823 . 0 0 "[ . ]" 1
233 1 13 ALA MB 1 16 ARG H 2.877 . 6.000 4.584 4.470 4.766 . 0 0 "[ . ]" 1
234 1 13 ALA MB 1 16 ARG QB 2.490 . 6.000 4.128 3.843 4.977 . 0 0 "[ . ]" 1
235 1 13 ALA MB 1 17 ILE HG12 2.671 . 6.000 4.176 3.895 4.291 . 0 0 "[ . ]" 1
236 1 14 ALA H 1 14 ALA HA 2.259 . 2.897 2.785 2.774 2.806 . 0 0 "[ . ]" 1
237 1 14 ALA H 1 14 ALA MB 2.032 . 2.548 2.242 2.191 2.269 . 0 0 "[ . ]" 1
238 1 14 ALA H 1 17 ILE H 2.512 . 6.000 4.385 4.321 4.437 . 0 0 "[ . ]" 1
239 1 14 ALA H 1 17 ILE HB 2.742 . 6.000 4.567 4.470 4.624 . 0 0 "[ . ]" 1
240 1 14 ALA H 1 17 ILE MD 2.982 . 6.000 4.521 4.450 4.593 . 0 0 "[ . ]" 1
241 1 14 ALA H 1 17 ILE HG12 3.815 . 5.634 5.717 5.692 5.751 0.117 4 0 "[ . ]" 1
242 1 14 ALA H 1 17 ILE HG13 2.729 . 6.000 3.982 3.955 4.014 . 0 0 "[ . ]" 1
243 1 14 ALA H 1 17 ILE MG 3.784 . 5.574 5.632 5.549 5.676 0.102 7 0 "[ . ]" 1
244 1 14 ALA HA 1 17 ILE H 2.633 . 3.500 3.115 2.974 3.308 . 0 0 "[ . ]" 1
245 1 14 ALA HA 1 17 ILE HA 3.914 . 5.829 4.860 4.796 4.979 . 0 0 "[ . ]" 1
246 1 14 ALA HA 1 17 ILE HB 1.956 . 2.434 2.056 1.983 2.094 . 0 0 "[ . ]" 1
247 1 14 ALA HA 1 17 ILE MD 2.456 . 3.210 3.032 2.859 3.222 0.012 6 0 "[ . ]" 1
248 1 14 ALA HA 1 17 ILE HG12 3.247 . 4.565 4.221 4.132 4.398 . 0 0 "[ . ]" 1
249 1 14 ALA HA 1 17 ILE MG 2.709 . 3.626 3.433 3.383 3.458 . 0 0 "[ . ]" 1
250 1 14 ALA MB 1 15 GLY H 2.350 . 3.040 2.462 2.414 2.535 . 0 0 "[ . ]" 1
251 1 14 ALA MB 1 15 GLY HA2 2.893 . 3.939 3.736 3.622 3.783 . 0 0 "[ . ]" 1
252 1 14 ALA MB 1 15 GLY HA3 2.987 . 4.103 4.157 4.141 4.178 0.075 6 0 "[ . ]" 1
253 1 14 ALA MB 1 17 ILE H 2.925 . 6.000 4.261 4.167 4.397 . 0 0 "[ . ]" 1
254 1 14 ALA MB 1 17 ILE HB 2.662 . 3.548 3.604 3.572 3.689 0.141 4 0 "[ . ]" 1
255 1 14 ALA MB 1 18 PHE H 3.097 . 4.296 3.976 3.772 4.084 . 0 0 "[ . ]" 1
256 1 14 ALA MB 1 18 PHE HB2 3.631 . 5.279 3.876 3.449 4.061 . 0 0 "[ . ]" 1
257 1 14 ALA MB 1 18 PHE HB3 3.789 . 5.583 4.228 3.827 4.392 . 0 0 "[ . ]" 1
258 1 14 ALA MB 1 18 PHE QD 3.554 . 5.133 5.089 4.733 5.271 0.138 1 0 "[ . ]" 1
259 1 15 GLY H 1 15 GLY HA3 2.114 . 2.673 2.290 2.275 2.303 . 0 0 "[ . ]" 1
260 1 15 GLY H 1 16 ARG H 2.548 . 3.360 2.693 2.598 2.834 . 0 0 "[ . ]" 1
261 1 15 GLY H 1 17 ILE H 2.763 . 3.717 3.831 3.774 3.890 0.173 9 0 "[ . ]" 1
262 1 15 GLY H 1 18 PHE HB2 3.215 . 6.000 5.548 5.424 5.605 . 0 0 "[ . ]" 1
263 1 15 GLY H 1 18 PHE HB3 3.369 . 4.788 4.797 4.674 4.847 0.059 5 0 "[ . ]" 1
264 1 15 GLY H 1 18 PHE QD 4.195 . 6.395 6.161 5.928 6.231 . 0 0 "[ . ]" 1
265 1 15 GLY HA2 1 16 ARG H 2.197 . 6.000 3.515 3.501 3.544 . 0 0 "[ . ]" 1
266 1 15 GLY HA2 1 18 PHE HB2 3.015 . 4.152 4.118 4.009 4.283 0.131 6 0 "[ . ]" 1
267 1 15 GLY HA2 1 18 PHE HB3 3.029 . 4.176 2.800 2.674 3.006 . 0 0 "[ . ]" 1
268 1 15 GLY HA2 1 18 PHE QD 3.345 . 4.743 3.787 3.516 3.960 . 0 0 "[ . ]" 1
269 1 15 GLY HA3 1 16 ARG H 2.210 . 2.820 2.491 2.400 2.535 . 0 0 "[ . ]" 1
270 1 15 GLY HA3 1 16 ARG QD 2.846 . 6.000 5.569 4.842 5.801 . 0 0 "[ . ]" 1
271 1 15 GLY HA3 1 18 PHE HB2 3.206 . 6.000 5.750 5.684 5.852 . 0 0 "[ . ]" 1
272 1 16 ARG H 1 16 ARG HA 2.267 . 2.910 2.832 2.817 2.838 . 0 0 "[ . ]" 1
273 1 16 ARG H 1 16 ARG HA 2.209 . 2.819 2.473 2.437 2.531 . 0 0 "[ . ]" 1
274 1 16 ARG H 1 16 ARG QB 2.134 . 2.703 2.161 1.966 2.600 . 0 0 "[ . ]" 1
275 1 16 ARG H 1 16 ARG QD 3.571 . 5.165 4.125 3.772 4.360 . 0 0 "[ . ]" 1
276 1 16 ARG H 1 16 ARG HE 4.035 . 6.070 4.997 3.915 5.812 . 0 0 "[ . ]" 1
277 1 16 ARG H 1 17 ILE H 2.374 . 3.078 2.499 2.449 2.582 . 0 0 "[ . ]" 1
278 1 16 ARG H 1 17 ILE HA 3.190 . 6.000 5.128 5.094 5.178 . 0 0 "[ . ]" 1
279 1 16 ARG H 1 17 ILE MD 3.562 . 6.000 5.744 5.676 5.870 . 0 0 "[ . ]" 1
280 1 16 ARG H 1 17 ILE HG12 3.410 . 6.000 5.438 5.352 5.576 . 0 0 "[ . ]" 1
281 1 16 ARG H 1 17 ILE MG 3.332 . 6.000 5.718 5.657 5.801 . 0 0 "[ . ]" 1
282 1 16 ARG H 1 18 PHE H 2.944 . 6.000 4.377 4.269 4.468 . 0 0 "[ . ]" 1
283 1 16 ARG H 1 18 PHE HB2 4.017 . 6.034 6.103 6.081 6.142 0.108 4 0 "[ . ]" 1
284 1 16 ARG H 1 19 GLU QB 3.371 . 4.791 4.135 3.957 4.216 . 0 0 "[ . ]" 1
285 1 16 ARG HA 1 16 ARG QB 2.248 . 2.830 2.446 2.170 2.524 . 0 0 "[ . ]" 1
286 1 16 ARG HA 1 16 ARG QD 2.171 . 2.760 2.192 1.923 2.366 . 0 0 "[ . ]" 1
287 1 16 ARG HA 1 16 ARG HE 3.799 . 5.603 4.047 3.249 5.294 . 0 0 "[ . ]" 1
288 1 16 ARG HA 1 16 ARG HG3 2.641 . 3.513 3.369 2.309 3.678 0.165 8 0 "[ . ]" 1
289 1 16 ARG HA 1 17 ILE H 2.769 . 3.728 3.501 3.475 3.526 . 0 0 "[ . ]" 1
290 1 16 ARG HA 1 19 GLU QB 2.625 . 3.340 2.115 1.840 2.340 . 0 0 "[ . ]" 1
291 1 16 ARG HA 1 19 GLU QG 3.028 . 4.174 3.692 3.401 4.036 . 0 0 "[ . ]" 1
292 1 16 ARG HA 1 20 VAL H 2.992 . 4.111 3.694 3.388 3.865 . 0 0 "[ . ]" 1
293 1 16 ARG HA 1 20 VAL QG 3.554 . 5.133 3.443 3.231 3.543 . 0 0 "[ . ]" 1
294 1 16 ARG QB 1 16 ARG QD 2.506 . 2.636 2.138 1.969 2.227 . 0 0 "[ . ]" 1
295 1 16 ARG QB 1 16 ARG QD 2.054 . 2.582 2.082 1.956 2.194 . 0 0 "[ . ]" 1
296 1 16 ARG QB 1 16 ARG HE 3.214 . 4.505 3.688 1.933 3.979 . 0 0 "[ . ]" 1
297 1 16 ARG QB 1 17 ILE H 2.878 . 3.913 2.881 2.715 3.575 . 0 0 "[ . ]" 1
298 1 16 ARG QB 1 17 ILE HA 4.179 . 6.362 3.913 3.789 4.389 . 0 0 "[ . ]" 1
299 1 16 ARG QB 1 18 PHE H 2.545 . 6.000 4.990 4.880 5.422 . 0 0 "[ . ]" 1
300 1 16 ARG QB 1 19 GLU H 2.874 . 5.512 4.721 4.591 4.781 . 0 0 "[ . ]" 1
301 1 16 ARG QB 1 19 GLU QB 3.671 . 4.788 3.985 3.502 4.156 . 0 0 "[ . ]" 1
302 1 16 ARG QB 1 20 VAL QG 3.010 . 3.340 3.230 3.177 3.292 . 0 0 "[ . ]" 1
303 1 16 ARG QD 1 17 ILE H 3.666 . 5.346 4.750 3.017 5.155 . 0 0 "[ . ]" 1
304 1 16 ARG QD 1 19 GLU H 2.961 . 6.000 4.442 4.247 4.620 . 0 0 "[ . ]" 1
305 1 16 ARG QD 1 20 VAL H 3.373 . 4.795 4.200 4.040 4.554 . 0 0 "[ . ]" 1
306 1 16 ARG QD 1 20 VAL QG 3.201 . 4.482 3.385 3.059 4.114 . 0 0 "[ . ]" 1
307 1 16 ARG HE 1 20 VAL QG 3.687 . 5.386 4.942 3.139 5.288 . 0 0 "[ . ]" 1
308 1 17 ILE H 1 17 ILE HA 2.415 . 3.144 2.850 2.838 2.857 . 0 0 "[ . ]" 1
309 1 17 ILE H 1 17 ILE HB 2.162 . 2.746 2.341 2.321 2.381 . 0 0 "[ . ]" 1
310 1 17 ILE H 1 17 ILE MD 2.767 . 6.000 4.053 4.021 4.128 . 0 0 "[ . ]" 1
311 1 17 ILE H 1 17 ILE HG12 2.660 . 3.545 3.298 3.236 3.381 . 0 0 "[ . ]" 1
312 1 17 ILE H 1 17 ILE HG13 2.510 . 3.298 2.638 2.579 2.759 . 0 0 "[ . ]" 1
313 1 17 ILE H 1 17 ILE MG 2.719 . 3.643 3.703 3.691 3.724 0.081 6 0 "[ . ]" 1
314 1 17 ILE H 1 17 ILE MG 2.753 . 3.701 3.393 3.371 3.409 . 0 0 "[ . ]" 1
315 1 17 ILE H 1 18 PHE H 1.971 . 2.457 2.545 2.504 2.578 0.121 6 0 "[ . ]" 1
316 1 17 ILE H 1 18 PHE HB2 3.349 . 4.751 4.839 4.797 4.873 0.122 7 0 "[ . ]" 1
317 1 17 ILE H 1 18 PHE HB3 3.203 . 4.485 4.216 4.174 4.270 . 0 0 "[ . ]" 1
318 1 17 ILE H 1 18 PHE QD 4.591 . 7.226 5.754 5.701 5.808 . 0 0 "[ . ]" 1
319 1 17 ILE H 1 19 GLU QB 2.482 . 6.000 4.274 4.134 4.318 . 0 0 "[ . ]" 1
320 1 17 ILE H 1 20 VAL QG 2.940 . 6.000 3.940 3.851 3.978 . 0 0 "[ . ]" 1
321 1 17 ILE HA 1 17 ILE HB 2.545 . 3.355 3.025 3.022 3.033 . 0 0 "[ . ]" 1
322 1 17 ILE HA 1 17 ILE MD 2.662 . 3.548 3.556 3.527 3.581 0.033 1 0 "[ . ]" 1
323 1 17 ILE HA 1 17 ILE HG12 2.469 . 3.231 2.233 2.219 2.259 . 0 0 "[ . ]" 1
324 1 17 ILE HA 1 17 ILE HG13 2.498 . 6.000 3.250 3.212 3.300 . 0 0 "[ . ]" 1
325 1 17 ILE HA 1 17 ILE MG 2.090 . 2.636 2.054 2.019 2.098 . 0 0 "[ . ]" 1
326 1 17 ILE HA 1 18 PHE H 2.860 . 3.882 3.451 3.442 3.459 . 0 0 "[ . ]" 1
327 1 17 ILE HA 1 19 GLU H 2.923 . 6.000 4.305 4.245 4.342 . 0 0 "[ . ]" 1
328 1 17 ILE HB 1 17 ILE HG12 2.641 . 3.513 2.976 2.966 2.981 . 0 0 "[ . ]" 1
329 1 17 ILE HB 1 17 ILE HG13 1.860 . 2.293 2.290 2.274 2.295 0.002 1 0 "[ . ]" 1
330 1 17 ILE HB 1 17 ILE MG 1.883 . 2.326 2.122 2.120 2.128 . 0 0 "[ . ]" 1
331 1 17 ILE HB 1 18 PHE H 2.462 . 3.220 2.042 1.968 2.113 . 0 0 "[ . ]" 1
332 1 17 ILE HB 1 18 PHE HE1 5.569 . 9.445 8.704 8.386 8.811 . 0 0 "[ . ]" 1
333 1 17 ILE MD 1 17 ILE HG12 2.043 . 2.565 1.888 1.886 1.890 . 0 0 "[ . ]" 1
334 1 17 ILE MD 1 18 PHE H 3.349 . 4.751 4.384 4.330 4.448 . 0 0 "[ . ]" 1
335 1 17 ILE MD 1 21 MET HG2 3.142 . 6.000 5.274 5.143 5.387 . 0 0 "[ . ]" 1
336 1 17 ILE HG12 1 17 ILE MG 2.201 . 2.806 2.696 2.665 2.726 . 0 0 "[ . ]" 1
337 1 17 ILE HG12 1 18 PHE H 2.676 . 6.000 4.496 4.445 4.540 . 0 0 "[ . ]" 1
338 1 17 ILE HG12 1 19 GLU H 3.643 . 6.000 6.071 6.041 6.097 0.097 2 0 "[ . ]" 1
339 1 17 ILE HG13 1 17 ILE MG 2.484 . 3.256 3.146 3.132 3.154 . 0 0 "[ . ]" 1
340 1 17 ILE HG13 1 18 PHE H 3.296 . 4.654 4.067 3.999 4.144 . 0 0 "[ . ]" 1
341 1 17 ILE HG13 1 18 PHE H 2.348 . 3.037 3.060 2.802 3.145 0.108 5 0 "[ . ]" 1
342 1 17 ILE HG13 1 21 MET HG3 3.605 . 6.000 6.077 6.044 6.106 0.106 6 0 "[ . ]" 1
343 1 17 ILE MG 1 18 PHE H 2.710 . 3.628 2.650 2.626 2.715 . 0 0 "[ . ]" 1
344 1 17 ILE MG 1 18 PHE HA 3.204 . 4.487 2.917 2.885 2.949 . 0 0 "[ . ]" 1
345 1 17 ILE MG 1 18 PHE HB3 3.328 . 4.712 4.415 4.390 4.449 . 0 0 "[ . ]" 1
346 1 17 ILE MG 1 18 PHE QD 3.538 . 6.000 4.746 4.654 4.800 . 0 0 "[ . ]" 1
347 1 17 ILE MG 1 19 GLU H 3.244 . 4.559 4.538 4.494 4.569 0.010 7 0 "[ . ]" 1
348 1 17 ILE MG 1 21 MET HG2 2.571 . 3.397 2.994 2.873 3.131 . 0 0 "[ . ]" 1
349 1 17 ILE MG 1 21 MET HG3 2.637 . 3.506 2.036 1.972 2.124 . 0 0 "[ . ]" 1
350 1 18 PHE H 1 18 PHE HA 2.314 . 2.983 2.741 2.722 2.756 . 0 0 "[ . ]" 1
351 1 18 PHE H 1 18 PHE HB2 2.376 . 3.082 2.454 2.402 2.492 . 0 0 "[ . ]" 1
352 1 18 PHE H 1 18 PHE HB3 2.477 . 3.244 2.342 2.303 2.408 . 0 0 "[ . ]" 1
353 1 18 PHE H 1 18 PHE HB3 2.148 . 2.724 2.146 2.116 2.199 . 0 0 "[ . ]" 1
354 1 18 PHE H 1 18 PHE QD 3.002 . 6.000 4.063 4.047 4.072 . 0 0 "[ . ]" 1
355 1 18 PHE H 1 19 GLU H 2.366 . 3.066 2.739 2.675 2.820 . 0 0 "[ . ]" 1
356 1 18 PHE H 1 19 GLU H 1.900 . 2.351 2.395 2.315 2.441 0.090 6 0 "[ . ]" 1
357 1 18 PHE H 1 19 GLU QB 3.328 . 4.713 4.448 4.348 4.533 . 0 0 "[ . ]" 1
358 1 18 PHE HA 1 18 PHE HB3 2.461 . 3.218 3.015 3.010 3.020 . 0 0 "[ . ]" 1
359 1 18 PHE HA 1 18 PHE QD 2.646 . 6.000 3.044 2.944 3.111 . 0 0 "[ . ]" 1
360 1 18 PHE HA 1 18 PHE HE1 4.269 . 6.547 5.628 5.048 5.811 . 0 0 "[ . ]" 1
361 1 18 PHE HA 1 19 GLU H 2.260 . 6.000 3.530 3.518 3.550 . 0 0 "[ . ]" 1
362 1 18 PHE HA 1 20 VAL H 3.571 . 5.165 4.781 4.658 4.899 . 0 0 "[ . ]" 1
363 1 18 PHE HA 1 21 MET H 2.706 . 3.622 3.468 3.381 3.563 . 0 0 "[ . ]" 1
364 1 18 PHE HA 1 21 MET HB2 2.524 . 3.320 1.967 1.870 2.028 . 0 0 "[ . ]" 1
365 1 18 PHE HA 1 21 MET HB3 2.728 . 3.658 3.344 3.244 3.488 . 0 0 "[ . ]" 1
366 1 18 PHE HA 1 21 MET HG2 3.249 . 4.568 3.887 3.790 3.985 . 0 0 "[ . ]" 1
367 1 18 PHE HA 1 22 VAL H 3.047 . 4.207 4.117 4.034 4.164 . 0 0 "[ . ]" 1
368 1 18 PHE HA 1 22 VAL MG2 3.499 . 5.029 3.754 3.694 3.809 . 0 0 "[ . ]" 1
369 1 18 PHE HB2 1 18 PHE QD 2.606 . 6.000 2.399 2.370 2.448 . 0 0 "[ . ]" 1
370 1 18 PHE HB2 1 19 GLU H 2.637 . 6.000 3.889 3.819 3.930 . 0 0 "[ . ]" 1
371 1 18 PHE HB2 1 19 GLU QB 3.401 . 6.000 5.603 5.514 5.653 . 0 0 "[ . ]" 1
372 1 18 PHE HB2 1 20 VAL H 3.997 . 5.994 6.133 6.076 6.165 0.171 8 0 "[ . ]" 1
373 1 18 PHE HB2 1 21 MET HB2 3.517 . 5.063 4.348 4.249 4.435 . 0 0 "[ . ]" 1
374 1 18 PHE HB2 1 22 VAL MG2 3.254 . 4.578 4.661 4.624 4.689 0.111 6 0 "[ . ]" 1
375 1 18 PHE HB3 1 18 PHE QD 2.658 . 3.541 2.327 2.247 2.367 . 0 0 "[ . ]" 1
376 1 18 PHE HB3 1 19 GLU H 2.896 . 3.944 2.576 2.494 2.616 . 0 0 "[ . ]" 1
377 1 18 PHE HB3 1 19 GLU QB 3.244 . 4.559 4.185 4.070 4.250 . 0 0 "[ . ]" 1
378 1 18 PHE HB3 1 19 GLU QG 3.289 . 4.641 4.486 4.269 4.626 . 0 0 "[ . ]" 1
379 1 18 PHE HB3 1 20 VAL H 3.731 . 5.471 5.215 5.186 5.243 . 0 0 "[ . ]" 1
380 1 18 PHE HB3 1 22 VAL MG2 3.172 . 4.430 4.350 4.230 4.437 0.007 7 0 "[ . ]" 1
381 1 18 PHE QD 1 19 GLU H 3.228 . 4.531 3.082 3.008 3.168 . 0 0 "[ . ]" 1
382 1 18 PHE QD 1 19 GLU HA 3.086 . 4.276 2.968 2.879 3.134 . 0 0 "[ . ]" 1
383 1 18 PHE QD 1 19 GLU QB 2.972 . 4.076 3.947 3.922 3.987 . 0 0 "[ . ]" 1
384 1 18 PHE QD 1 19 GLU QG 3.508 . 5.046 3.225 2.983 3.402 . 0 0 "[ . ]" 1
385 1 18 PHE QD 1 21 MET H 4.347 . 6.709 5.197 5.141 5.265 . 0 0 "[ . ]" 1
386 1 18 PHE QD 1 21 MET HB2 3.523 . 5.074 4.257 4.139 4.302 . 0 0 "[ . ]" 1
387 1 18 PHE QD 1 22 VAL H 3.815 . 5.634 4.746 4.686 4.829 . 0 0 "[ . ]" 1
388 1 18 PHE QD 1 22 VAL HA 3.639 . 6.000 5.660 5.550 5.717 . 0 0 "[ . ]" 1
389 1 18 PHE QD 1 22 VAL HB 3.114 . 4.326 4.205 4.019 4.290 . 0 0 "[ . ]" 1
390 1 18 PHE QD 1 22 VAL MG1 2.875 . 6.000 4.764 4.609 4.815 . 0 0 "[ . ]" 1
391 1 18 PHE QD 1 22 VAL MG2 2.461 . 3.218 2.943 2.886 2.998 . 0 0 "[ . ]" 1
392 1 18 PHE HE1 1 19 GLU HA 4.903 . 7.908 4.825 4.134 7.040 . 0 0 "[ . ]" 1
393 1 18 PHE HE1 1 22 VAL HB 4.678 . 7.414 4.926 4.269 6.876 . 0 0 "[ . ]" 1
394 1 18 PHE HE1 1 22 VAL MG1 3.696 . 5.403 4.477 3.814 6.267 0.864 6 2 "[ .+ -]" 1
395 1 18 PHE HE1 1 22 VAL MG2 2.992 . 4.111 2.769 2.432 3.935 . 0 0 "[ . ]" 1
396 1 19 GLU H 1 19 GLU HA 2.325 . 3.001 2.812 2.805 2.817 . 0 0 "[ . ]" 1
397 1 19 GLU H 1 19 GLU QB 2.424 . 3.158 2.077 2.053 2.084 . 0 0 "[ . ]" 1
398 1 19 GLU H 1 19 GLU QG 2.449 . 3.199 2.590 2.479 2.737 . 0 0 "[ . ]" 1
399 1 19 GLU H 1 20 VAL H 2.346 . 3.034 2.776 2.754 2.795 . 0 0 "[ . ]" 1
400 1 19 GLU H 1 20 VAL QG 3.772 . 4.584 3.686 3.655 3.724 . 0 0 "[ . ]" 1
401 1 19 GLU H 1 21 MET HB2 2.901 . 6.000 4.296 4.227 4.476 . 0 0 "[ . ]" 1
402 1 19 GLU H 1 22 VAL MG2 3.704 . 5.419 4.355 4.224 4.495 . 0 0 "[ . ]" 1
403 1 19 GLU HA 1 19 GLU QB 2.370 . 3.072 2.533 2.527 2.537 . 0 0 "[ . ]" 1
404 1 19 GLU HA 1 19 GLU QG 2.850 . 3.866 2.355 2.220 2.490 . 0 0 "[ . ]" 1
405 1 19 GLU HA 1 21 MET H 3.065 . 4.239 4.012 3.943 4.123 . 0 0 "[ . ]" 1
406 1 19 GLU HA 1 21 MET HB2 3.145 . 4.381 4.572 4.470 4.665 0.284 3 0 "[ . ]" 1
407 1 19 GLU HA 1 22 VAL H 2.192 . 6.000 3.159 3.010 3.291 . 0 0 "[ . ]" 1
408 1 19 GLU HA 1 22 VAL HA 3.598 . 5.216 5.050 4.867 5.221 0.005 7 0 "[ . ]" 1
409 1 19 GLU HA 1 22 VAL HB 2.343 . 3.029 2.323 2.133 2.468 . 0 0 "[ . ]" 1
410 1 19 GLU HA 1 22 VAL MG2 2.821 . 3.816 3.006 2.805 3.250 . 0 0 "[ . ]" 1
411 1 19 GLU HA 1 23 GLU H 2.765 . 6.000 4.112 4.022 4.274 . 0 0 "[ . ]" 1
412 1 19 GLU QB 1 19 GLU QG 2.014 . 2.521 2.036 1.995 2.086 . 0 0 "[ . ]" 1
413 1 19 GLU QB 1 20 VAL H 2.729 . 3.660 2.476 2.429 2.521 . 0 0 "[ . ]" 1
414 1 19 GLU QB 1 20 VAL HA 2.816 . 6.000 3.688 3.651 3.720 . 0 0 "[ . ]" 1
415 1 19 GLU QB 1 20 VAL QG 3.015 . 3.756 2.949 2.869 3.008 . 0 0 "[ . ]" 1
416 1 19 GLU QB 1 22 VAL H 2.853 . 6.000 4.463 4.359 4.562 . 0 0 "[ . ]" 1
417 1 19 GLU QB 1 22 VAL MG1 4.255 . 6.518 5.063 4.872 5.178 . 0 0 "[ . ]" 1
418 1 19 GLU QB 1 22 VAL MG2 3.347 . 5.564 4.731 4.581 4.910 . 0 0 "[ . ]" 1
419 1 19 GLU QG 1 20 VAL H 3.520 . 5.068 4.328 4.283 4.385 . 0 0 "[ . ]" 1
420 1 19 GLU QG 1 22 VAL H 3.281 . 4.627 4.184 4.121 4.293 . 0 0 "[ . ]" 1
421 1 20 VAL H 1 20 VAL HA 2.339 . 3.023 2.841 2.822 2.851 . 0 0 "[ . ]" 1
422 1 20 VAL H 1 20 VAL HB 2.242 . 6.000 3.644 3.639 3.652 . 0 0 "[ . ]" 1
423 1 20 VAL H 1 20 VAL QG 2.337 . 3.020 1.960 1.907 2.028 . 0 0 "[ . ]" 1
424 1 20 VAL H 1 21 MET H 2.384 . 3.094 2.422 2.403 2.459 . 0 0 "[ . ]" 1
425 1 20 VAL H 1 21 MET HA 3.020 . 6.000 5.090 5.071 5.132 . 0 0 "[ . ]" 1
426 1 20 VAL H 1 21 MET HG2 3.289 . 4.641 4.628 4.561 4.680 0.039 5 0 "[ . ]" 1
427 1 20 VAL H 1 22 VAL H 2.021 . 6.000 3.791 3.718 3.813 . 0 0 "[ . ]" 1
428 1 20 VAL H 1 22 VAL MG2 4.110 . 6.221 5.225 5.170 5.294 . 0 0 "[ . ]" 1
429 1 20 VAL H 1 24 GLY H 4.277 . 6.564 6.131 5.910 6.494 . 0 0 "[ . ]" 1
430 1 20 VAL HA 1 20 VAL HB 2.113 . 2.671 2.425 2.407 2.436 . 0 0 "[ . ]" 1
431 1 20 VAL HA 1 20 VAL QG 2.173 . 2.763 2.316 2.280 2.381 . 0 0 "[ . ]" 1
432 1 20 VAL HA 1 21 MET H 2.820 . 3.814 3.422 3.411 3.444 . 0 0 "[ . ]" 1
433 1 20 VAL HA 1 21 MET HG2 3.574 . 6.000 5.517 5.462 5.557 . 0 0 "[ . ]" 1
434 1 20 VAL HA 1 22 VAL H 3.676 . 5.365 3.893 3.819 3.949 . 0 0 "[ . ]" 1
435 1 20 VAL HA 1 23 GLU H 2.907 . 3.963 3.190 3.158 3.224 . 0 0 "[ . ]" 1
436 1 20 VAL HA 1 23 GLU HA 3.620 . 5.258 5.277 5.246 5.302 0.044 2 0 "[ . ]" 1
437 1 20 VAL HA 1 23 GLU HB2 2.542 . 6.000 3.659 2.854 4.557 . 0 0 "[ . ]" 1
438 1 20 VAL HA 1 23 GLU HG3 3.581 . 5.184 3.393 2.697 4.605 . 0 0 "[ . ]" 1
439 1 20 VAL HA 1 24 GLY H 3.256 . 4.581 4.105 3.834 4.534 . 0 0 "[ . ]" 1
440 1 20 VAL MG1 1 20 VAL MG2 1.946 . 2.419 2.075 2.047 2.101 . 0 0 "[ . ]" 1
441 1 20 VAL QG 1 21 MET H 2.790 . 3.763 2.330 2.264 2.364 . 0 0 "[ . ]" 1
442 1 20 VAL QG 1 21 MET HA 3.087 . 4.278 3.160 3.138 3.184 . 0 0 "[ . ]" 1
443 1 20 VAL QG 1 21 MET HG2 . . 3.443 2.418 2.366 2.452 . 0 0 "[ . ]" 1
444 1 20 VAL QG 1 21 MET HG3 2.789 . 3.762 3.550 3.331 3.652 . 0 0 "[ . ]" 1
445 1 20 VAL QG 1 22 VAL H 3.877 . 5.756 4.003 3.955 4.033 . 0 0 "[ . ]" 1
446 1 20 VAL QG 1 23 GLU H 3.776 . 4.970 4.469 4.424 4.493 . 0 0 "[ . ]" 1
447 1 20 VAL QG 1 24 GLY H 4.132 . 5.203 4.760 4.598 4.987 . 0 0 "[ . ]" 1
448 1 21 MET H 1 21 MET HA 2.539 . 3.345 2.855 2.849 2.862 . 0 0 "[ . ]" 1
449 1 21 MET H 1 21 MET HA 2.056 . 2.584 2.517 2.511 2.529 . 0 0 "[ . ]" 1
450 1 21 MET H 1 21 MET HB2 2.308 . 2.974 2.283 2.252 2.357 . 0 0 "[ . ]" 1
451 1 21 MET H 1 21 MET HB3 2.237 . 6.000 3.535 3.522 3.562 . 0 0 "[ . ]" 1
452 1 21 MET H 1 21 MET HG2 2.800 . 3.780 2.761 2.714 2.801 . 0 0 "[ . ]" 1
453 1 21 MET H 1 21 MET HG2 2.228 . 2.848 2.422 2.137 2.723 . 0 0 "[ . ]" 1
454 1 21 MET H 1 21 MET HG3 2.614 . 3.468 3.374 3.118 3.480 0.012 2 0 "[ . ]" 1
455 1 21 MET H 1 22 VAL HA 3.390 . 4.827 4.963 4.928 4.977 0.150 3 0 "[ . ]" 1
456 1 21 MET H 1 22 VAL MG1 3.390 . 6.000 5.505 5.436 5.537 . 0 0 "[ . ]" 1
457 1 21 MET H 1 22 VAL MG2 3.367 . 4.784 4.251 4.228 4.278 . 0 0 "[ . ]" 1
458 1 21 MET H 1 24 GLY H 3.953 . 5.906 4.858 4.690 5.118 . 0 0 "[ . ]" 1
459 1 21 MET H 1 24 GLY H 3.133 . 4.360 3.925 3.782 4.055 . 0 0 "[ . ]" 1
460 1 21 MET HA 1 21 MET HB2 2.421 . 3.154 3.021 3.017 3.029 . 0 0 "[ . ]" 1
461 1 21 MET HA 1 21 MET HB3 2.398 . 3.117 2.568 2.530 2.585 . 0 0 "[ . ]" 1
462 1 21 MET HA 1 21 MET HG2 2.809 . 3.796 2.498 2.445 2.546 . 0 0 "[ . ]" 1
463 1 21 MET HA 1 21 MET HG3 3.083 . 4.271 3.701 3.682 3.720 . 0 0 "[ . ]" 1
464 1 21 MET HA 1 22 VAL H 2.255 . 6.000 3.450 3.433 3.461 . 0 0 "[ . ]" 1
465 1 21 MET HA 1 22 VAL MG2 3.411 . 6.000 5.126 5.083 5.168 . 0 0 "[ . ]" 1
466 1 21 MET HB2 1 21 MET HG2 2.492 . 3.269 2.708 2.674 2.797 . 0 0 "[ . ]" 1
467 1 21 MET HB2 1 21 MET HG3 2.206 . 2.814 2.244 2.216 2.264 . 0 0 "[ . ]" 1
468 1 21 MET HB2 1 22 VAL H 2.474 . 3.239 2.834 2.788 2.901 . 0 0 "[ . ]" 1
469 1 21 MET HB2 1 22 VAL HA 3.238 . 4.549 3.999 3.737 4.219 . 0 0 "[ . ]" 1
470 1 21 MET HB2 1 22 VAL MG2 3.184 . 4.451 3.541 3.436 3.599 . 0 0 "[ . ]" 1
471 1 21 MET HB2 1 25 HIS HB2 3.468 . 6.000 5.965 5.766 6.049 0.049 4 0 "[ . ]" 1
472 1 21 MET HB3 1 21 MET HG2 2.610 . 3.462 2.936 2.875 2.956 . 0 0 "[ . ]" 1
473 1 21 MET HB3 1 21 MET HG3 2.530 . 3.330 2.706 2.670 2.792 . 0 0 "[ . ]" 1
474 1 21 MET HB3 1 25 HIS HB2 3.588 . 5.197 5.019 4.788 5.196 . 0 0 "[ . ]" 1
475 1 21 MET HG2 1 22 VAL H 3.281 . 4.626 4.549 4.520 4.576 . 0 0 "[ . ]" 1
476 1 21 MET HG3 1 22 VAL H 2.827 . 6.000 4.880 4.741 4.977 . 0 0 "[ . ]" 1
477 1 22 VAL H 1 22 VAL HA 2.597 . 3.440 2.848 2.839 2.864 . 0 0 "[ . ]" 1
478 1 22 VAL H 1 22 VAL HB 2.225 . 2.844 2.274 2.237 2.294 . 0 0 "[ . ]" 1
479 1 22 VAL H 1 22 VAL MG1 2.878 . 3.913 3.656 3.620 3.674 . 0 0 "[ . ]" 1
480 1 22 VAL H 1 22 VAL MG2 2.390 . 3.104 2.723 2.687 2.791 . 0 0 "[ . ]" 1
481 1 22 VAL H 1 23 GLU H 2.256 . 2.892 2.500 2.454 2.533 . 0 0 "[ . ]" 1
482 1 22 VAL H 1 24 GLY H 3.435 . 4.910 3.992 3.834 4.178 . 0 0 "[ . ]" 1
483 1 22 VAL HA 1 22 VAL HB 2.678 . 3.574 2.983 2.975 2.988 . 0 0 "[ . ]" 1
484 1 22 VAL HA 1 22 VAL MG1 2.404 . 3.126 2.606 2.578 2.656 . 0 0 "[ . ]" 1
485 1 22 VAL HA 1 22 VAL MG2 2.259 . 2.897 2.113 2.065 2.155 . 0 0 "[ . ]" 1
486 1 22 VAL HA 1 23 GLU H 2.998 . 4.122 3.547 3.536 3.554 . 0 0 "[ . ]" 1
487 1 22 VAL HA 1 24 GLY H 3.404 . 4.852 4.357 4.247 4.469 . 0 0 "[ . ]" 1
488 1 22 VAL HB 1 22 VAL MG2 2.265 . 2.906 2.121 2.111 2.127 . 0 0 "[ . ]" 1
489 1 22 VAL HB 1 23 GLU H 2.571 . 3.397 2.779 2.662 2.974 . 0 0 "[ . ]" 1
490 1 22 VAL HB 1 24 GLY H 3.696 . 5.403 5.142 5.030 5.364 . 0 0 "[ . ]" 1
491 1 22 VAL HB 1 25 HIS H 3.258 . 6.000 5.289 5.214 5.353 . 0 0 "[ . ]" 1
492 1 22 VAL HB 1 25 HIS HD2 4.589 . 7.221 7.024 6.737 7.216 . 0 0 "[ . ]" 1
493 1 22 VAL HB 1 26 TRP HD1 3.067 . 6.000 4.707 4.549 4.866 . 0 0 "[ . ]" 1
494 1 22 VAL HB 1 26 TRP HE1 4.098 . 6.198 5.645 5.001 6.229 0.031 7 0 "[ . ]" 1
495 1 22 VAL MG1 1 22 VAL MG2 1.990 . 2.485 2.059 2.048 2.072 . 0 0 "[ . ]" 1
496 1 22 VAL MG1 1 23 GLU H 2.852 . 3.869 2.995 2.900 3.072 . 0 0 "[ . ]" 1
497 1 22 VAL MG1 1 24 GLY H 4.138 . 6.278 4.727 4.656 4.815 . 0 0 "[ . ]" 1
498 1 22 VAL MG1 1 25 HIS H 2.850 . 6.000 4.241 4.151 4.329 . 0 0 "[ . ]" 1
499 1 22 VAL MG1 1 25 HIS HD2 4.676 . 7.409 4.177 3.857 4.370 . 0 0 "[ . ]" 1
500 1 22 VAL MG1 1 26 TRP H 2.447 . 3.195 2.783 2.743 2.840 . 0 0 "[ . ]" 1
501 1 22 VAL MG1 1 26 TRP HD1 2.187 . 2.785 2.183 1.955 2.430 . 0 0 "[ . ]" 1
502 1 22 VAL MG1 1 26 TRP HE1 2.736 . 3.672 2.672 2.105 3.175 . 0 0 "[ . ]" 1
503 1 22 VAL MG1 1 26 TRP HZ2 3.984 . 5.968 4.967 4.286 5.524 . 0 0 "[ . ]" 1
504 1 22 VAL MG1 1 27 GLU H 3.958 . 5.916 5.876 5.742 5.956 0.040 2 0 "[ . ]" 1
505 1 22 VAL MG2 1 23 GLU H 3.045 . 4.204 4.078 4.019 4.183 . 0 0 "[ . ]" 1
506 1 22 VAL MG2 1 24 GLY H 4.068 . 6.136 5.499 5.423 5.603 . 0 0 "[ . ]" 1
507 1 22 VAL MG2 1 25 HIS H 3.324 . 4.705 4.809 4.760 4.842 0.137 6 0 "[ . ]" 1
508 1 22 VAL MG2 1 25 HIS HD2 4.261 . 6.530 4.866 4.558 5.065 . 0 0 "[ . ]" 1
509 1 22 VAL MG2 1 26 TRP H 3.112 . 6.000 5.486 5.340 5.596 . 0 0 "[ . ]" 1
510 1 22 VAL MG2 1 26 TRP HD1 3.360 . 4.771 4.517 4.242 4.761 . 0 0 "[ . ]" 1
511 1 22 VAL MG2 1 26 TRP HE1 3.696 . 5.403 4.579 4.009 5.100 . 0 0 "[ . ]" 1
512 1 23 GLU H 1 23 GLU HA 2.444 . 3.191 2.784 2.777 2.791 . 0 0 "[ . ]" 1
513 1 23 GLU H 1 23 GLU HB2 2.602 . 3.448 3.047 2.601 3.557 0.109 4 0 "[ . ]" 1
514 1 23 GLU H 1 23 GLU HB3 2.452 . 3.203 3.005 2.260 3.561 0.358 8 0 "[ . ]" 1
515 1 23 GLU H 1 23 GLU HG2 2.840 . 3.848 2.178 1.826 2.748 0.006 1 0 "[ . ]" 1
516 1 23 GLU H 1 23 GLU HG3 2.658 . 3.541 3.508 3.320 3.861 0.320 9 0 "[ . ]" 1
517 1 23 GLU H 1 24 GLY H 2.833 . 3.837 2.676 2.625 2.721 . 0 0 "[ . ]" 1
518 1 23 GLU H 1 26 TRP H 3.662 . 5.339 4.775 4.554 5.048 . 0 0 "[ . ]" 1
519 1 23 GLU H 1 26 TRP HD1 4.307 . 6.625 4.582 4.411 4.783 . 0 0 "[ . ]" 1
520 1 23 GLU HA 1 23 GLU HB2 2.539 . 3.345 2.709 2.296 3.019 . 0 0 "[ . ]" 1
521 1 23 GLU HA 1 23 GLU HB3 2.555 . 3.371 2.471 2.369 2.606 . 0 0 "[ . ]" 1
522 1 23 GLU HA 1 23 GLU HG2 2.662 . 3.548 3.422 2.999 3.827 0.279 2 0 "[ . ]" 1
523 1 23 GLU HA 1 23 GLU HG3 2.964 . 4.062 3.736 3.597 3.845 . 0 0 "[ . ]" 1
524 1 23 GLU HA 1 24 GLY H 2.606 . 3.455 3.515 3.500 3.528 0.073 9 0 "[ . ]" 1
525 1 23 GLU HA 1 25 HIS H 2.961 . 4.057 4.100 4.069 4.141 0.084 4 0 "[ . ]" 1
526 1 23 GLU HA 1 26 TRP H 2.913 . 3.973 3.356 3.161 3.609 . 0 0 "[ . ]" 1
527 1 23 GLU HA 1 26 TRP QB 2.987 . 4.102 2.826 2.278 3.536 . 0 0 "[ . ]" 1
528 1 23 GLU HA 1 26 TRP HD1 3.114 . 4.326 3.051 2.730 3.425 . 0 0 "[ . ]" 1
529 1 23 GLU HA 1 26 TRP HE1 4.424 . 6.871 5.435 5.000 5.861 . 0 0 "[ . ]" 1
530 1 23 GLU HA 1 27 GLU H 2.951 . 6.000 4.561 4.361 4.899 . 0 0 "[ . ]" 1
531 1 23 GLU HB2 1 24 GLY H 2.846 . 3.858 3.097 2.412 3.917 0.059 2 0 "[ . ]" 1
532 1 23 GLU HB2 1 25 HIS H 3.266 . 6.000 5.113 4.714 5.594 . 0 0 "[ . ]" 1
533 1 23 GLU HB2 1 26 TRP QB 3.557 . 5.139 4.958 4.005 5.943 0.804 3 3 "[- + * ]" 1
534 1 23 GLU HB3 1 23 GLU HG3 2.234 . 2.858 2.719 2.445 3.006 0.148 9 0 "[ . ]" 1
535 1 23 GLU HB3 1 24 GLY H 2.786 . 3.756 3.696 3.607 3.765 0.009 4 0 "[ . ]" 1
536 1 23 GLU HB3 1 25 HIS H 3.201 . 6.000 5.456 5.384 5.554 . 0 0 "[ . ]" 1
537 1 23 GLU HB3 1 26 TRP HD1 4.813 . 7.709 5.342 5.097 5.681 . 0 0 "[ . ]" 1
538 1 23 GLU HG2 1 24 GLY H 3.502 . 5.035 3.186 2.082 3.995 . 0 0 "[ . ]" 1
539 1 23 GLU HG2 1 25 HIS H 3.708 . 5.427 5.188 4.596 5.536 0.109 5 0 "[ . ]" 1
540 1 23 GLU HG2 1 26 TRP HD1 5.021 . 8.172 5.883 5.137 6.819 . 0 0 "[ . ]" 1
541 1 23 GLU HG3 1 24 GLY H 3.493 . 5.018 3.652 2.323 4.682 . 0 0 "[ . ]" 1
542 1 24 GLY H 1 24 GLY HA2 2.428 . 3.165 2.828 2.805 2.853 . 0 0 "[ . ]" 1
543 1 24 GLY H 1 24 GLY HA3 2.372 . 3.075 2.302 2.295 2.312 . 0 0 "[ . ]" 1
544 1 24 GLY H 1 25 HIS H 2.778 . 3.743 2.577 2.516 2.637 . 0 0 "[ . ]" 1
545 1 24 GLY H 1 25 HIS HA 3.853 . 5.709 5.184 5.109 5.247 . 0 0 "[ . ]" 1
546 1 24 GLY H 1 25 HIS HB2 3.691 . 5.394 4.885 4.779 5.017 . 0 0 "[ . ]" 1
547 1 24 GLY H 1 25 HIS HB3 3.491 . 5.014 4.950 4.851 5.024 0.010 3 0 "[ . ]" 1
548 1 24 GLY H 1 26 TRP H 3.526 . 5.080 4.153 3.985 4.346 . 0 0 "[ . ]" 1
549 1 24 GLY H 1 27 GLU H 3.404 . 4.852 4.613 4.513 4.758 . 0 0 "[ . ]" 1
550 1 24 GLY H 1 28 THR H 4.305 . 6.621 6.423 6.166 6.637 0.016 1 0 "[ . ]" 1
551 1 24 GLY HA2 1 25 HIS H 2.417 . 6.000 3.513 3.495 3.528 . 0 0 "[ . ]" 1
552 1 24 GLY HA2 1 27 GLU H 2.962 . 4.059 3.059 3.005 3.107 . 0 0 "[ . ]" 1
553 1 24 GLY HA2 1 27 GLU HB2 2.712 . 3.631 2.322 2.258 2.411 . 0 0 "[ . ]" 1
554 1 24 GLY HA2 1 27 GLU HB3 2.741 . 3.680 3.737 3.694 3.816 0.136 9 0 "[ . ]" 1
555 1 24 GLY HA3 1 25 HIS H 1.969 . 6.000 2.919 2.875 2.970 . 0 0 "[ . ]" 1
556 1 24 GLY HA3 1 27 GLU H 3.021 . 4.161 4.196 4.150 4.234 0.073 5 0 "[ . ]" 1
557 1 24 GLY HA3 1 27 GLU HB3 2.428 . 6.000 5.210 5.134 5.267 . 0 0 "[ . ]" 1
558 1 25 HIS H 1 25 HIS HA 2.515 . 3.306 2.822 2.803 2.838 . 0 0 "[ . ]" 1
559 1 25 HIS H 1 25 HIS HB2 2.201 . 2.806 2.493 2.466 2.542 . 0 0 "[ . ]" 1
560 1 25 HIS H 1 25 HIS HB3 2.334 . 3.015 2.633 2.561 2.680 . 0 0 "[ . ]" 1
561 1 25 HIS H 1 25 HIS HD2 3.831 . 5.666 5.265 5.163 5.337 . 0 0 "[ . ]" 1
562 1 25 HIS H 1 26 TRP HD1 3.831 . 5.666 4.651 4.217 4.983 . 0 0 "[ . ]" 1
563 1 25 HIS H 1 27 GLU H 3.174 . 4.433 3.703 3.673 3.735 . 0 0 "[ . ]" 1
564 1 25 HIS HA 1 25 HIS HB2 2.603 . 3.450 2.516 2.483 2.531 . 0 0 "[ . ]" 1
565 1 25 HIS HA 1 25 HIS HB3 2.571 . 3.397 3.025 3.020 3.032 . 0 0 "[ . ]" 1
566 1 25 HIS HA 1 25 HIS HD2 3.700 . 5.411 4.550 4.436 4.662 . 0 0 "[ . ]" 1
567 1 25 HIS HA 1 27 GLU H 3.121 . 4.339 3.899 3.819 4.081 . 0 0 "[ . ]" 1
568 1 25 HIS HB2 1 25 HIS HD2 3.438 . 4.916 3.725 3.624 3.832 . 0 0 "[ . ]" 1
569 1 25 HIS HB2 1 26 TRP H 2.923 . 3.991 3.753 3.670 3.878 . 0 0 "[ . ]" 1
570 1 25 HIS HB2 1 26 TRP HD1 4.054 . 6.109 5.184 4.805 5.630 . 0 0 "[ . ]" 1
571 1 25 HIS HB2 1 28 THR H 4.315 . 6.643 5.977 5.752 6.176 . 0 0 "[ . ]" 1
572 1 25 HIS HB2 1 29 VAL H 4.712 . 7.488 6.714 6.467 6.922 . 0 0 "[ . ]" 1
573 1 25 HIS HB2 1 29 VAL MG1 3.983 . 5.966 5.149 5.013 5.239 . 0 0 "[ . ]" 1
574 1 25 HIS HB3 1 25 HIS HD2 3.016 . 4.153 2.700 2.685 2.737 . 0 0 "[ . ]" 1
575 1 25 HIS HB3 1 26 TRP HD1 2.996 . 4.118 3.576 3.279 3.940 . 0 0 "[ . ]" 1
576 1 25 HIS HB3 1 29 VAL H 3.567 . 6.000 5.921 5.781 6.024 0.024 1 0 "[ . ]" 1
577 1 25 HIS HB3 1 29 VAL MG1 2.998 . 4.122 4.223 4.137 4.279 0.157 3 0 "[ . ]" 1
578 1 25 HIS HD2 1 26 TRP H 3.754 . 5.516 4.350 4.158 4.511 . 0 0 "[ . ]" 1
579 1 25 HIS HD2 1 26 TRP HA 3.736 . 5.480 4.241 3.876 4.565 . 0 0 "[ . ]" 1
580 1 25 HIS HD2 1 26 TRP HD1 4.025 . 6.050 4.531 4.288 4.734 . 0 0 "[ . ]" 1
581 1 25 HIS HD2 1 26 TRP HE1 3.927 . 5.855 4.438 3.959 4.993 . 0 0 "[ . ]" 1
582 1 25 HIS HD2 1 26 TRP HE3 4.289 . 6.589 5.716 4.908 6.339 . 0 0 "[ . ]" 1
583 1 25 HIS HD2 1 26 TRP HZ2 4.121 . 6.244 5.255 4.193 6.238 . 0 0 "[ . ]" 1
584 1 25 HIS HD2 1 26 TRP HZ3 4.635 . 7.320 6.473 5.266 7.331 0.011 8 0 "[ . ]" 1
585 1 25 HIS HD2 1 29 VAL H 4.925 . 7.957 6.039 5.479 6.520 . 0 0 "[ . ]" 1
586 1 25 HIS HD2 1 29 VAL HB 4.294 . 6.599 6.197 5.668 6.609 0.010 3 0 "[ . ]" 1
587 1 25 HIS HD2 1 29 VAL MG1 3.078 . 4.263 3.368 2.882 3.769 . 0 0 "[ . ]" 1
588 1 25 HIS HD2 1 29 VAL MG2 3.696 . 5.403 5.079 4.707 5.413 0.010 1 0 "[ . ]" 1
589 1 25 HIS HE1 1 29 VAL MG1 3.252 . 4.574 4.599 4.573 4.613 0.039 5 0 "[ . ]" 1
590 1 26 TRP H 1 26 TRP HA 2.621 . 3.479 2.847 2.834 2.862 . 0 0 "[ . ]" 1
591 1 26 TRP H 1 26 TRP QB 2.362 . 3.060 2.236 2.016 2.504 . 0 0 "[ . ]" 1
592 1 26 TRP H 1 26 TRP HD1 3.118 . 4.333 3.025 2.586 3.370 . 0 0 "[ . ]" 1
593 1 26 TRP H 1 26 TRP HE1 4.274 . 6.557 5.167 4.629 5.626 . 0 0 "[ . ]" 1
594 1 26 TRP H 1 26 TRP HE3 3.895 . 5.792 5.136 4.962 5.252 . 0 0 "[ . ]" 1
595 1 26 TRP H 1 27 GLU H 2.725 . 3.653 2.474 2.422 2.529 . 0 0 "[ . ]" 1
596 1 26 TRP H 1 29 VAL MG1 3.572 . 5.167 3.867 3.767 3.987 . 0 0 "[ . ]" 1
597 1 26 TRP HA 1 26 TRP QB 2.588 . 3.425 2.417 2.319 2.502 . 0 0 "[ . ]" 1
598 1 26 TRP HA 1 26 TRP HD1 3.404 . 4.852 4.187 4.049 4.356 . 0 0 "[ . ]" 1
599 1 26 TRP HA 1 26 TRP HE1 4.685 . 7.428 5.385 5.223 5.579 . 0 0 "[ . ]" 1
600 1 26 TRP HA 1 26 TRP HE3 2.603 . 3.450 2.856 2.722 2.923 . 0 0 "[ . ]" 1
601 1 26 TRP HA 1 26 TRP HZ3 3.784 . 5.574 4.940 4.873 5.041 . 0 0 "[ . ]" 1
602 1 26 TRP HA 1 27 GLU H 3.300 . 4.661 3.378 3.315 3.410 . 0 0 "[ . ]" 1
603 1 26 TRP HA 1 29 VAL H 2.711 . 3.629 2.897 2.601 3.107 . 0 0 "[ . ]" 1
604 1 26 TRP HA 1 29 VAL HB 2.464 . 6.000 3.946 3.768 4.141 . 0 0 "[ . ]" 1
605 1 26 TRP HA 1 29 VAL MG1 2.801 . 3.782 1.829 1.751 1.980 0.069 2 0 "[ . ]" 1
606 1 26 TRP HA 1 29 VAL MG2 2.730 . 3.661 1.758 1.730 1.783 0.069 7 0 "[ . ]" 1
607 1 26 TRP HA 1 30 GLY H 3.159 . 4.407 4.502 4.227 4.686 0.279 9 0 "[ . ]" 1
608 1 26 TRP QB 1 26 TRP HD1 2.766 . 3.722 2.558 2.535 2.604 . 0 0 "[ . ]" 1
609 1 26 TRP QB 1 26 TRP HE3 2.891 . 3.936 2.622 2.500 2.705 . 0 0 "[ . ]" 1
610 1 26 TRP QB 1 26 TRP HZ3 3.459 . 4.955 4.824 4.734 4.884 . 0 0 "[ . ]" 1
611 1 26 TRP QB 1 27 GLU H 2.926 . 3.996 3.146 3.049 3.281 . 0 0 "[ . ]" 1
612 1 26 TRP QB 1 27 GLU HG2 3.401 . 4.847 4.018 3.798 4.235 . 0 0 "[ . ]" 1
613 1 26 TRP QB 1 28 THR H 4.367 . 5.419 4.847 4.656 4.910 . 0 0 "[ . ]" 1
614 1 26 TRP QB 1 29 VAL H 4.161 . 6.325 4.430 4.092 4.650 . 0 0 "[ . ]" 1
615 1 26 TRP QB 1 29 VAL HB 3.574 . 6.000 5.220 4.645 5.692 . 0 0 "[ . ]" 1
616 1 26 TRP HD1 1 27 GLU H 4.260 . 6.528 5.210 4.718 5.520 . 0 0 "[ . ]" 1
617 1 26 TRP HD1 1 29 VAL HB 4.769 . 7.611 7.650 7.543 7.711 0.100 7 0 "[ . ]" 1
618 1 26 TRP HD1 1 29 VAL MG1 3.490 . 5.013 4.960 4.770 5.047 0.034 3 0 "[ . ]" 1
619 1 26 TRP HE1 1 29 VAL MG1 4.444 . 6.913 5.313 5.062 5.490 . 0 0 "[ . ]" 1
620 1 26 TRP HE3 1 27 GLU H 4.475 . 6.978 5.694 5.449 6.027 . 0 0 "[ . ]" 1
621 1 26 TRP HE3 1 28 THR H 4.168 . 6.339 6.462 6.418 6.500 0.161 2 0 "[ . ]" 1
622 1 26 TRP HE3 1 29 VAL H 3.895 . 5.792 4.785 4.699 4.849 . 0 0 "[ . ]" 1
623 1 26 TRP HE3 1 29 VAL HB 2.921 . 3.987 3.688 3.119 4.110 0.123 4 0 "[ . ]" 1
624 1 26 TRP HE3 1 29 VAL MG1 3.171 . 4.428 2.924 2.084 3.632 . 0 0 "[ . ]" 1
625 1 26 TRP HE3 1 29 VAL MG2 2.899 . 3.950 1.813 1.781 1.833 0.067 3 0 "[ . ]" 1
626 1 26 TRP HE3 1 30 GLY H 4.336 . 6.686 5.023 4.653 5.407 . 0 0 "[ . ]" 1
627 1 26 TRP HZ3 1 29 VAL HB 4.368 . 6.753 4.159 3.879 4.337 . 0 0 "[ . ]" 1
628 1 26 TRP HZ3 1 29 VAL MG1 3.535 . 5.097 3.801 3.106 4.394 . 0 0 "[ . ]" 1
629 1 26 TRP HZ3 1 29 VAL MG2 3.074 . 4.255 3.175 2.800 3.683 . 0 0 "[ . ]" 1
630 1 27 GLU H 1 27 GLU HA 2.518 . 3.310 2.840 2.819 2.853 . 0 0 "[ . ]" 1
631 1 27 GLU H 1 27 GLU HB2 2.574 . 3.402 2.297 2.258 2.361 . 0 0 "[ . ]" 1
632 1 27 GLU H 1 27 GLU HB3 2.637 . 3.506 3.548 3.531 3.574 0.068 3 0 "[ . ]" 1
633 1 27 GLU H 1 27 GLU HG2 2.789 . 3.761 2.660 2.518 2.774 . 0 0 "[ . ]" 1
634 1 27 GLU H 1 27 GLU HG3 2.797 . 3.775 3.802 3.780 3.823 0.048 8 0 "[ . ]" 1
635 1 27 GLU H 1 28 THR H 2.753 . 3.701 2.434 2.325 2.486 . 0 0 "[ . ]" 1
636 1 27 GLU H 1 28 THR MG 4.328 . 6.670 4.575 4.181 5.681 . 0 0 "[ . ]" 1
637 1 27 GLU H 1 29 VAL H 3.457 . 4.951 3.655 3.583 3.747 . 0 0 "[ . ]" 1
638 1 27 GLU H 1 29 VAL MG1 4.371 . 6.759 4.174 4.061 4.358 . 0 0 "[ . ]" 1
639 1 27 GLU HA 1 27 GLU HB2 2.515 . 3.306 3.008 2.999 3.021 . 0 0 "[ . ]" 1
640 1 27 GLU HA 1 27 GLU HB3 2.332 . 3.012 2.589 2.557 2.619 . 0 0 "[ . ]" 1
641 1 27 GLU HA 1 27 GLU HG2 2.452 . 3.203 2.825 2.692 2.968 . 0 0 "[ . ]" 1
642 1 27 GLU HA 1 27 GLU HG3 2.926 . 3.997 3.708 3.691 3.736 . 0 0 "[ . ]" 1
643 1 27 GLU HA 1 28 THR H 2.957 . 4.050 3.472 3.419 3.486 . 0 0 "[ . ]" 1
644 1 27 GLU HA 1 29 VAL H 3.818 . 5.641 4.076 4.029 4.151 . 0 0 "[ . ]" 1
645 1 27 GLU HA 1 29 VAL HA 4.145 . 6.293 6.592 6.571 6.638 0.345 6 0 "[ . ]" 1
646 1 27 GLU HA 1 29 VAL MG2 2.341 . 3.026 3.051 2.999 3.088 0.062 5 0 "[ . ]" 1
647 1 27 GLU HA 1 30 GLY H 2.490 . 6.000 3.971 3.795 4.123 . 0 0 "[ . ]" 1
648 1 27 GLU HA 1 30 GLY HA3 3.945 . 5.891 5.090 4.726 5.365 . 0 0 "[ . ]" 1
649 1 27 GLU HB2 1 27 GLU HG2 2.133 . 2.702 2.488 2.460 2.531 . 0 0 "[ . ]" 1
650 1 27 GLU HB2 1 27 GLU HG3 2.064 . 2.596 2.372 2.335 2.407 . 0 0 "[ . ]" 1
651 1 27 GLU HB2 1 28 THR H 2.430 . 3.168 2.663 2.495 2.754 . 0 0 "[ . ]" 1
652 1 27 GLU HB2 1 28 THR MG 3.514 . 5.057 4.891 4.697 5.247 0.190 3 0 "[ . ]" 1
653 1 27 GLU HB2 1 29 VAL H 3.797 . 5.599 4.796 4.753 4.822 . 0 0 "[ . ]" 1
654 1 27 GLU HB2 1 30 GLY H 3.549 . 6.000 5.979 5.794 6.044 0.044 2 0 "[ . ]" 1
655 1 27 GLU HB3 1 27 GLU HG3 2.133 . 2.701 2.481 2.447 2.524 . 0 0 "[ . ]" 1
656 1 27 GLU HB3 1 28 THR H 2.952 . 4.041 3.465 3.380 3.528 . 0 0 "[ . ]" 1
657 1 27 GLU HB3 1 28 THR HB 2.961 . 6.000 4.968 4.636 5.847 . 0 0 "[ . ]" 1
658 1 27 GLU HB3 1 28 THR MG 3.704 . 5.419 5.479 5.433 5.555 0.136 7 0 "[ . ]" 1
659 1 27 GLU HG2 1 28 THR H 3.902 . 5.805 4.484 4.289 4.606 . 0 0 "[ . ]" 1
660 1 27 GLU HG3 1 28 THR H 3.603 . 5.226 4.964 4.832 5.026 . 0 0 "[ . ]" 1
661 1 28 THR H 1 28 THR HB 2.413 . 3.141 2.441 2.345 2.617 . 0 0 "[ . ]" 1
662 1 28 THR H 1 28 THR MG 2.897 . 3.946 2.830 2.473 3.716 . 0 0 "[ . ]" 1
663 1 28 THR H 1 29 VAL HA 3.018 . 6.000 4.939 4.869 5.061 . 0 0 "[ . ]" 1
664 1 28 THR H 1 29 VAL MG1 2.921 . 3.987 3.790 3.511 3.981 . 0 0 "[ . ]" 1
665 1 28 THR H 1 29 VAL MG2 3.508 . 5.046 4.086 3.990 4.164 . 0 0 "[ . ]" 1
666 1 28 THR H 1 30 GLY H 3.102 . 4.305 4.312 4.280 4.346 0.041 9 0 "[ . ]" 1
667 1 28 THR H 1 31 MET H 2.820 . 6.000 5.570 5.501 5.642 . 0 0 "[ . ]" 1
668 1 28 THR HA 1 28 THR MG 2.103 . 6.000 2.944 2.225 3.167 . 0 0 "[ . ]" 1
669 1 28 THR HA 1 29 VAL H 2.606 . 3.455 3.466 3.448 3.499 0.044 7 0 "[ . ]" 1
670 1 28 THR HA 1 29 VAL MG1 2.976 . 6.000 5.046 4.784 5.204 . 0 0 "[ . ]" 1
671 1 28 THR HB 1 28 THR MG 2.400 . 3.120 2.129 2.115 2.135 . 0 0 "[ . ]" 1
672 1 28 THR HB 1 29 VAL H 2.884 . 3.924 3.695 2.833 3.978 0.054 9 0 "[ . ]" 1
673 1 28 THR HB 1 31 MET QB 2.464 . 6.000 5.494 5.342 5.842 . 0 0 "[ . ]" 1
674 1 28 THR HB 1 31 MET HG2 3.605 . 5.230 5.387 5.060 6.160 0.930 5 1 "[ + ]" 1
675 1 28 THR HB 1 31 MET HG3 4.050 . 6.101 5.610 4.976 6.109 0.008 3 0 "[ . ]" 1
676 1 28 THR MG 1 29 VAL H 3.077 . 4.261 2.824 2.493 3.839 . 0 0 "[ . ]" 1
677 1 28 THR MG 1 29 VAL HA 3.401 . 4.847 3.129 2.931 3.803 . 0 0 "[ . ]" 1
678 1 28 THR MG 1 29 VAL MG1 2.832 . 3.835 3.058 2.611 4.007 0.172 3 0 "[ . ]" 1
679 1 28 THR MG 1 30 GLY H 3.877 . 5.756 4.609 4.405 5.185 . 0 0 "[ . ]" 1
680 1 28 THR MG 1 31 MET H 3.871 . 5.744 4.187 3.960 4.306 . 0 0 "[ . ]" 1
681 1 28 THR MG 1 31 MET QB 3.392 . 4.830 3.808 3.392 4.372 . 0 0 "[ . ]" 1
682 1 28 THR MG 1 32 LEU H 3.382 . 4.812 3.642 3.441 3.819 . 0 0 "[ . ]" 1
683 1 28 THR MG 1 32 LEU QB 3.219 . 4.514 3.618 3.295 3.875 . 0 0 "[ . ]" 1
684 1 28 THR MG 1 32 LEU QD 2.011 . 2.516 1.963 1.807 2.097 . 0 0 "[ . ]" 1
685 1 28 THR MG 1 32 LEU HG 2.728 . 3.658 3.611 3.492 3.688 0.030 2 0 "[ . ]" 1
686 1 28 THR MG 1 33 PHE H 4.180 . 6.364 5.053 4.818 5.306 . 0 0 "[ . ]" 1
687 1 29 VAL H 1 29 VAL HA 2.650 . 3.528 2.782 2.768 2.791 . 0 0 "[ . ]" 1
688 1 29 VAL H 1 29 VAL HB 2.464 . 6.000 3.659 3.615 3.692 . 0 0 "[ . ]" 1
689 1 29 VAL H 1 29 VAL MG1 2.410 . 3.136 2.204 1.925 2.347 . 0 0 "[ . ]" 1
690 1 29 VAL H 1 29 VAL MG2 2.816 . 3.808 2.367 2.227 2.529 . 0 0 "[ . ]" 1
691 1 29 VAL H 1 30 GLY H 2.745 . 3.687 2.674 2.634 2.718 . 0 0 "[ . ]" 1
692 1 29 VAL H 1 31 MET H 3.273 . 4.612 4.043 4.007 4.114 . 0 0 "[ . ]" 1
693 1 29 VAL H 1 32 LEU H 3.249 . 6.000 5.021 4.859 5.105 . 0 0 "[ . ]" 1
694 1 29 VAL H 1 32 LEU HG 3.598 . 5.216 4.386 4.184 4.523 . 0 0 "[ . ]" 1
695 1 29 VAL H 1 33 PHE H 4.463 . 6.953 5.300 5.127 5.442 . 0 0 "[ . ]" 1
696 1 29 VAL HA 1 29 VAL HB 2.767 . 3.724 2.408 2.340 2.451 . 0 0 "[ . ]" 1
697 1 29 VAL HA 1 29 VAL MG1 2.362 . 3.060 2.290 2.193 2.370 . 0 0 "[ . ]" 1
698 1 29 VAL HA 1 29 VAL MG2 2.459 . 3.215 3.165 3.154 3.174 . 0 0 "[ . ]" 1
699 1 29 VAL HA 1 30 GLY H 2.980 . 4.090 3.478 3.453 3.507 . 0 0 "[ . ]" 1
700 1 29 VAL HA 1 31 MET QB 3.895 . 5.792 4.318 3.991 5.075 . 0 0 "[ . ]" 1
701 1 29 VAL HA 1 32 LEU H 2.958 . 4.051 2.954 2.898 3.023 . 0 0 "[ . ]" 1
702 1 29 VAL HA 1 32 LEU QB 2.705 . 6.000 3.726 3.644 3.798 . 0 0 "[ . ]" 1
703 1 29 VAL HA 1 32 LEU QD 2.297 . 2.956 2.289 2.219 2.397 . 0 0 "[ . ]" 1
704 1 29 VAL HA 1 32 LEU HG 2.561 . 6.000 1.661 1.541 1.773 . 0 0 "[ . ]" 1
705 1 29 VAL HA 1 33 PHE H 3.341 . 4.736 2.768 2.535 2.975 . 0 0 "[ . ]" 1
706 1 29 VAL HB 1 29 VAL MG1 2.410 . 3.136 2.106 2.091 2.114 . 0 0 "[ . ]" 1
707 1 29 VAL HB 1 29 VAL MG2 2.237 . 2.862 2.059 2.055 2.063 . 0 0 "[ . ]" 1
708 1 29 VAL HB 1 29 VAL MG2 2.341 . 3.026 2.020 2.015 2.026 . 0 0 "[ . ]" 1
709 1 29 VAL HB 1 30 GLY H 2.770 . 3.729 3.840 3.774 3.909 0.180 3 0 "[ . ]" 1
710 1 29 VAL HB 1 30 GLY HA3 3.831 . 5.666 5.528 5.453 5.623 . 0 0 "[ . ]" 1
711 1 29 VAL MG1 1 29 VAL MG2 1.768 . 2.159 2.066 1.998 2.095 . 0 0 "[ . ]" 1
712 1 29 VAL MG1 1 29 VAL MG2 2.106 . 2.660 1.786 1.743 1.892 . 0 0 "[ . ]" 1
713 1 29 VAL MG1 1 30 GLY H 3.132 . 4.358 3.924 3.833 3.968 . 0 0 "[ . ]" 1
714 1 29 VAL MG1 1 31 MET H 3.987 . 5.974 4.750 4.714 4.794 . 0 0 "[ . ]" 1
715 1 29 VAL MG1 1 32 LEU H 3.628 . 5.273 4.723 4.643 4.818 . 0 0 "[ . ]" 1
716 1 29 VAL MG1 1 32 LEU HA 3.992 . 5.984 6.195 6.134 6.272 0.288 3 0 "[ . ]" 1
717 1 29 VAL MG1 1 32 LEU QB 3.263 . 4.594 4.462 4.398 4.602 0.008 3 0 "[ . ]" 1
718 1 29 VAL MG1 1 32 LEU HG 3.140 . 4.372 3.033 2.981 3.130 . 0 0 "[ . ]" 1
719 1 29 VAL MG1 1 33 PHE H 4.115 . 6.232 4.219 3.972 4.541 . 0 0 "[ . ]" 1
720 1 29 VAL MG1 1 33 PHE QB 4.024 . 6.048 3.474 3.154 3.775 . 0 0 "[ . ]" 1
721 1 29 VAL MG1 1 33 PHE HD1 3.584 . 6.000 6.016 5.926 6.096 0.096 2 0 "[ . ]" 1
722 1 29 VAL MG2 1 30 GLY H 2.868 . 3.896 1.853 1.821 1.921 0.019 7 0 "[ . ]" 1
723 1 29 VAL MG2 1 30 GLY QA 2.773 . 3.735 3.063 2.967 3.098 . 0 0 "[ . ]" 1
724 1 29 VAL MG2 1 33 PHE QB 2.835 . 3.840 2.533 2.465 2.656 . 0 0 "[ . ]" 1
725 1 29 VAL MG2 1 33 PHE HD1 2.364 . 6.000 5.602 4.556 5.921 . 0 0 "[ . ]" 1
726 1 30 GLY H 1 30 GLY HA2 2.248 . 2.880 2.755 2.743 2.767 . 0 0 "[ . ]" 1
727 1 30 GLY H 1 30 GLY HA3 2.219 . 2.835 2.328 2.313 2.342 . 0 0 "[ . ]" 1
728 1 30 GLY H 1 31 MET H 2.468 . 3.230 2.788 2.746 2.867 . 0 0 "[ . ]" 1
729 1 30 GLY H 1 33 PHE H 3.360 . 4.771 4.693 4.648 4.718 . 0 0 "[ . ]" 1
730 1 30 GLY H 1 33 PHE QB 2.984 . 4.097 4.135 4.055 4.217 0.120 7 0 "[ . ]" 1
731 1 30 GLY H 1 34 ASP H 3.038 . 6.000 5.515 5.316 5.789 . 0 0 "[ . ]" 1
732 1 30 GLY QA 1 31 MET H 2.273 . 2.919 2.466 2.300 2.545 . 0 0 "[ . ]" 1
733 1 30 GLY QA 1 33 PHE H 2.344 . 6.000 4.203 4.120 4.279 . 0 0 "[ . ]" 1
734 1 30 GLY QA 1 33 PHE QB 2.298 . 2.958 3.039 2.994 3.114 0.156 2 0 "[ . ]" 1
735 1 30 GLY QA 1 33 PHE QD 3.145 . 4.381 2.848 2.049 3.406 . 0 0 "[ . ]" 1
736 1 30 GLY QA 1 34 ASP H 2.935 . 4.012 3.794 3.587 4.066 0.054 9 0 "[ . ]" 1
737 1 31 MET H 1 31 MET HA 2.364 . 3.063 2.928 2.922 2.933 . 0 0 "[ . ]" 1
738 1 31 MET H 1 31 MET QB 2.277 . 2.925 2.507 2.418 2.662 . 0 0 "[ . ]" 1
739 1 31 MET H 1 31 MET HG2 3.014 . 4.150 2.826 2.219 3.925 . 0 0 "[ . ]" 1
740 1 31 MET H 1 31 MET HG3 3.030 . 4.178 3.598 2.511 4.008 . 0 0 "[ . ]" 1
741 1 31 MET H 1 33 PHE QB 2.773 . 3.734 3.578 2.804 3.708 . 0 0 "[ . ]" 1
742 1 31 MET H 1 32 LEU HG 3.580 . 5.182 3.683 3.523 3.888 . 0 0 "[ . ]" 1
743 1 31 MET H 1 33 PHE H 2.950 . 4.038 3.233 3.039 3.363 . 0 0 "[ . ]" 1
744 1 31 MET H 1 34 ASP H 2.982 . 4.093 3.913 3.721 4.090 . 0 0 "[ . ]" 1
745 1 31 MET H 1 34 ASP QB 3.573 . 5.169 4.197 3.943 4.529 . 0 0 "[ . ]" 1
746 1 31 MET HA 1 31 MET QB 2.539 . 3.345 2.291 2.133 2.359 . 0 0 "[ . ]" 1
747 1 31 MET HA 1 31 MET HG2 2.914 . 3.976 3.457 2.717 4.243 0.267 6 0 "[ . ]" 1
748 1 31 MET HA 1 31 MET HG3 3.041 . 4.197 3.737 3.692 3.853 . 0 0 "[ . ]" 1
749 1 31 MET HA 1 32 LEU H 2.730 . 3.661 3.574 3.554 3.594 . 0 0 "[ . ]" 1
750 1 31 MET HA 1 32 LEU HA 3.859 . 5.721 4.742 4.719 4.755 . 0 0 "[ . ]" 1
751 1 31 MET HA 1 33 PHE H 3.535 . 5.097 4.437 4.038 4.661 . 0 0 "[ . ]" 1
752 1 31 MET HA 1 34 ASP H 3.067 . 4.243 3.613 3.421 3.701 . 0 0 "[ . ]" 1
753 1 31 MET HA 1 34 ASP QB 2.348 . 3.037 2.682 2.450 2.777 . 0 0 "[ . ]" 1
754 1 31 MET QB 1 31 MET HG2 2.545 . 3.355 2.271 2.128 2.491 . 0 0 "[ . ]" 1
755 1 31 MET QB 1 31 MET HG3 2.444 . 3.191 2.210 2.119 2.455 . 0 0 "[ . ]" 1
756 1 31 MET QB 1 32 LEU H 2.984 . 4.097 2.195 1.847 3.218 0.029 2 0 "[ . ]" 1
757 1 31 MET QB 1 32 LEU HG 4.033 . 6.000 4.278 3.995 5.140 . 0 0 "[ . ]" 1
758 1 31 MET QB 1 33 PHE H 3.580 . 5.182 4.281 4.132 4.763 . 0 0 "[ . ]" 1
759 1 31 MET QB 1 34 ASP H 3.864 . 5.574 4.716 4.595 4.926 . 0 0 "[ . ]" 1
760 1 31 MET QB 1 35 SER H 4.103 . 5.883 5.224 5.106 5.391 . 0 0 "[ . ]" 1
761 1 31 MET HG2 1 34 ASP H 4.262 . 6.533 6.127 5.579 6.716 0.183 7 0 "[ . ]" 1
762 1 31 MET HG3 1 34 ASP H 4.404 . 6.828 6.543 5.287 6.955 0.127 4 0 "[ . ]" 1
763 1 32 LEU H 1 32 LEU HA 2.451 . 3.202 2.799 2.788 2.821 . 0 0 "[ . ]" 1
764 1 32 LEU H 1 32 LEU QB 2.351 . 3.042 2.440 2.332 2.520 . 0 0 "[ . ]" 1
765 1 32 LEU H 1 32 LEU HG 2.384 . 3.095 2.369 2.216 2.604 . 0 0 "[ . ]" 1
766 1 32 LEU H 1 33 PHE H 2.506 . 3.291 2.615 2.472 2.675 . 0 0 "[ . ]" 1
767 1 32 LEU H 1 34 ASP H 2.998 . 4.122 4.062 3.926 4.175 0.053 7 0 "[ . ]" 1
768 1 32 LEU HA 1 32 LEU QB 2.581 . 3.414 2.163 2.159 2.168 . 0 0 "[ . ]" 1
769 1 32 LEU HA 1 32 LEU HG 2.428 . 6.000 3.656 3.644 3.666 . 0 0 "[ . ]" 1
770 1 32 LEU HA 1 33 PHE H 2.548 . 6.000 3.464 3.399 3.495 . 0 0 "[ . ]" 1
771 1 32 LEU HA 1 34 ASP H 3.404 . 4.852 4.313 4.147 4.563 . 0 0 "[ . ]" 1
772 1 32 LEU HA 1 35 SER H 2.671 . 3.563 3.496 3.411 3.609 0.046 6 0 "[ . ]" 1
773 1 32 LEU QB 1 32 LEU HG 1.957 . 2.436 2.485 2.466 2.506 0.070 2 0 "[ . ]" 1
774 1 32 LEU QB 1 33 PHE H 2.874 . 3.906 3.452 3.349 3.589 . 0 0 "[ . ]" 1
775 1 32 LEU QB 1 34 ASP H 4.371 . 6.759 5.083 4.916 5.284 . 0 0 "[ . ]" 1
776 1 32 LEU QD 1 32 LEU HG 1.862 . 2.295 1.697 1.684 1.709 . 0 0 "[ . ]" 1
777 1 32 LEU QD 1 33 PHE H 2.867 . 3.895 2.607 2.492 2.705 . 0 0 "[ . ]" 1
778 1 32 LEU QD 1 33 PHE QB 2.953 . 4.043 2.768 2.710 2.826 . 0 0 "[ . ]" 1
779 1 32 LEU QD 1 34 ASP H 3.859 . 5.721 4.013 3.879 4.127 . 0 0 "[ . ]" 1
780 1 32 LEU HG 1 33 PHE H 2.739 . 3.677 2.073 1.746 2.437 0.055 2 0 "[ . ]" 1
781 1 32 LEU HG 1 33 PHE HD1 3.567 . 6.000 5.923 5.719 6.193 0.193 2 0 "[ . ]" 1
782 1 32 LEU HG 1 34 ASP H 3.703 . 5.417 4.512 4.217 4.836 . 0 0 "[ . ]" 1
783 1 33 PHE H 1 33 PHE HA 2.541 . 3.348 2.845 2.827 2.873 . 0 0 "[ . ]" 1
784 1 33 PHE H 1 33 PHE QB 2.235 . 2.860 2.272 2.252 2.292 . 0 0 "[ . ]" 1
785 1 33 PHE H 1 33 PHE HD1 3.336 . 4.727 4.596 4.533 4.750 0.023 2 0 "[ . ]" 1
786 1 33 PHE H 1 34 ASP H 2.614 . 3.468 2.480 2.414 2.523 . 0 0 "[ . ]" 1
787 1 33 PHE H 1 34 ASP HA 3.901 . 5.803 5.113 5.062 5.159 . 0 0 "[ . ]" 1
788 1 33 PHE H 1 34 ASP QB 3.067 . 4.243 4.118 4.060 4.151 . 0 0 "[ . ]" 1
789 1 33 PHE H 1 36 LEU HG 3.820 . 5.644 5.568 4.720 5.705 0.061 5 0 "[ . ]" 1
790 1 33 PHE HA 1 33 PHE HD1 2.866 . 3.893 2.207 1.950 3.838 . 0 0 "[ . ]" 1
791 1 33 PHE HA 1 34 ASP H 2.684 . 3.585 3.499 3.489 3.521 . 0 0 "[ . ]" 1
792 1 33 PHE HA 1 36 LEU HG 2.929 . 4.001 3.123 2.836 3.372 . 0 0 "[ . ]" 1
793 1 33 PHE QB 1 33 PHE QD 2.603 . 3.450 2.250 2.102 2.294 . 0 0 "[ . ]" 1
794 1 33 PHE QB 1 34 ASP H 2.637 . 3.506 2.577 2.368 2.746 . 0 0 "[ . ]" 1
795 1 33 PHE QB 1 34 ASP HA 3.353 . 4.759 4.072 4.001 4.139 . 0 0 "[ . ]" 1
796 1 33 PHE HD1 1 34 ASP H 3.919 . 5.839 4.530 3.827 4.673 . 0 0 "[ . ]" 1
797 1 33 PHE HD1 1 34 ASP HA 3.404 . 4.852 4.733 3.289 4.946 0.094 7 0 "[ . ]" 1
798 1 33 PHE HD1 1 36 LEU H 3.244 . 4.560 4.109 3.678 4.622 0.062 2 0 "[ . ]" 1
799 1 33 PHE HD1 1 36 LEU HG 3.658 . 5.331 3.392 2.715 4.620 . 0 0 "[ . ]" 1
800 1 33 PHE HD1 1 37 GLY H 4.091 . 6.184 4.364 4.127 4.805 . 0 0 "[ . ]" 1
801 1 34 ASP H 1 34 ASP HA 2.461 . 3.218 2.792 2.759 2.811 . 0 0 "[ . ]" 1
802 1 34 ASP H 1 34 ASP QB 2.483 . 3.254 2.093 2.023 2.191 . 0 0 "[ . ]" 1
803 1 34 ASP H 1 35 SER H 2.652 . 3.531 2.688 2.627 2.814 . 0 0 "[ . ]" 1
804 1 34 ASP H 1 35 SER HA 3.296 . 6.000 5.273 5.219 5.371 . 0 0 "[ . ]" 1
805 1 34 ASP H 1 36 LEU H 3.067 . 4.243 4.075 3.842 4.180 . 0 0 "[ . ]" 1
806 1 34 ASP H 1 36 LEU QB 4.029 . 6.059 5.300 4.825 5.696 . 0 0 "[ . ]" 1
807 1 34 ASP H 1 37 GLY H 3.336 . 4.727 4.774 4.639 4.854 0.127 3 0 "[ . ]" 1
808 1 34 ASP HA 1 34 ASP QB 2.329 . 3.007 2.435 2.278 2.529 . 0 0 "[ . ]" 1
809 1 34 ASP HA 1 35 SER H 3.107 . 4.313 3.516 3.498 3.555 . 0 0 "[ . ]" 1
810 1 34 ASP HA 1 36 LEU H 3.875 . 5.752 3.690 3.400 3.986 . 0 0 "[ . ]" 1
811 1 34 ASP HA 1 37 GLY H 3.538 . 5.102 2.961 2.661 3.168 . 0 0 "[ . ]" 1
812 1 34 ASP HA 1 37 GLY QA 3.691 . 5.394 3.150 2.885 3.480 . 0 0 "[ . ]" 1
813 1 34 ASP HA 1 38 LYS H 2.291 . 2.947 2.916 2.472 3.144 0.197 2 0 "[ . ]" 1
814 1 34 ASP HA 1 38 LYS QD 3.740 . 5.489 3.491 2.859 4.607 . 0 0 "[ . ]" 1
815 1 34 ASP QB 1 35 SER H 2.923 . 3.493 2.705 2.562 2.862 . 0 0 "[ . ]" 1
816 1 34 ASP QB 1 37 GLY H 2.902 . 6.000 4.649 4.387 4.829 . 0 0 "[ . ]" 1
817 1 34 ASP QB 1 38 LYS HB2 3.431 . 4.902 3.596 3.272 3.875 . 0 0 "[ . ]" 1
818 1 35 SER H 1 35 SER QB 2.487 . 3.260 2.397 2.262 2.545 . 0 0 "[ . ]" 1
819 1 35 SER H 1 36 LEU QD 2.807 . 3.792 3.407 3.122 3.907 0.115 9 0 "[ . ]" 1
820 1 35 SER HA 1 35 SER QB 2.492 . 3.269 2.364 2.350 2.374 . 0 0 "[ . ]" 1
821 1 35 SER HA 1 36 LEU QD 2.158 . 6.000 3.089 2.422 3.213 . 0 0 "[ . ]" 1
822 1 35 SER HA 1 38 LYS HB3 2.909 . 6.000 5.674 3.993 6.060 0.060 6 0 "[ . ]" 1
823 1 35 SER HA 1 38 LYS QD 3.052 . 6.000 5.400 5.209 5.601 . 0 0 "[ . ]" 1
824 1 36 LEU H 1 36 LEU QD 2.390 . 3.104 2.337 2.065 3.111 0.007 9 0 "[ . ]" 1
825 1 36 LEU H 1 36 LEU HG 2.603 . 3.450 2.605 2.337 2.742 . 0 0 "[ . ]" 1
826 1 36 LEU H 1 37 GLY H 2.274 . 2.921 2.249 1.942 2.411 . 0 0 "[ . ]" 1
827 1 36 LEU HA 1 36 LEU QB 2.251 . 2.884 2.178 2.166 2.229 . 0 0 "[ . ]" 1
828 1 36 LEU HA 1 36 LEU HG 2.435 . 6.000 3.644 3.339 3.702 . 0 0 "[ . ]" 1
829 1 36 LEU HA 1 37 GLY H 2.706 . 3.621 2.870 2.715 3.168 . 0 0 "[ . ]" 1
830 1 36 LEU HA 1 39 GLY H 2.800 . 3.780 3.725 3.435 3.877 0.097 5 0 "[ . ]" 1
831 1 36 LEU HA 1 39 GLY HA2 3.764 . 5.535 5.346 2.896 5.760 0.225 6 0 "[ . ]" 1
832 1 36 LEU HA 1 39 GLY HA3 3.165 . 4.417 4.253 3.943 4.490 0.073 9 0 "[ . ]" 1
833 1 36 LEU HA 1 40 THR H 3.441 . 4.921 3.005 2.741 3.376 . 0 0 "[ . ]" 1
834 1 36 LEU QB 1 36 LEU HG 1.959 . 2.438 2.471 2.406 2.501 0.063 5 0 "[ . ]" 1
835 1 36 LEU QB 1 37 GLY H 2.726 . 3.655 3.342 3.220 3.481 . 0 0 "[ . ]" 1
836 1 36 LEU QB 1 37 GLY QA 2.880 . 3.917 3.683 3.509 3.764 . 0 0 "[ . ]" 1
837 1 36 LEU QD 1 36 LEU HG 2.099 . 2.650 1.895 1.891 1.897 . 0 0 "[ . ]" 1
838 1 36 LEU QD 1 37 GLY H 3.038 . 4.191 4.044 3.849 4.191 0.000 9 0 "[ . ]" 1
839 1 36 LEU HG 1 37 GLY H 2.650 . 6.000 3.965 3.792 4.131 . 0 0 "[ . ]" 1
840 1 36 LEU HG 1 40 THR H 3.597 . 6.000 5.994 5.871 6.072 0.072 5 0 "[ . ]" 1
841 1 37 GLY H 1 37 GLY QA 2.099 . 2.650 2.388 2.332 2.438 . 0 0 "[ . ]" 1
842 1 37 GLY H 1 38 LYS H 2.224 . 2.842 1.765 1.586 2.109 0.020 6 0 "[ . ]" 1
843 1 37 GLY H 1 38 LYS HA 3.354 . 4.760 4.500 4.385 4.676 . 0 0 "[ . ]" 1
844 1 37 GLY H 1 38 LYS HB2 2.725 . 3.653 3.619 3.396 3.806 0.153 3 0 "[ . ]" 1
845 1 37 GLY H 1 38 LYS HB3 3.077 . 6.000 4.567 4.411 4.745 . 0 0 "[ . ]" 1
846 1 37 GLY H 1 38 LYS QD 3.759 . 5.525 4.532 4.346 4.909 . 0 0 "[ . ]" 1
847 1 37 GLY H 1 39 GLY H 3.363 . 4.776 2.957 2.556 3.249 . 0 0 "[ . ]" 1
848 1 37 GLY H 1 40 THR H 3.312 . 4.683 3.468 3.155 4.179 . 0 0 "[ . ]" 1
849 1 37 GLY H 1 40 THR HA 3.345 . 6.000 5.973 5.610 6.150 0.150 3 0 "[ . ]" 1
850 1 37 GLY H 1 40 THR MG 4.021 . 6.042 4.193 3.774 6.112 0.070 9 0 "[ . ]" 1
851 1 37 GLY H 1 41 MET H 3.117 . 6.000 5.029 3.961 6.033 0.033 9 0 "[ . ]" 1
852 1 37 GLY QA 1 41 MET H 2.637 . 3.506 3.594 3.381 3.696 0.190 4 0 "[ . ]" 1
853 1 38 LYS H 1 38 LYS HA 2.512 . 3.301 2.863 2.811 2.887 . 0 0 "[ . ]" 1
854 1 38 LYS H 1 38 LYS HB2 2.452 . 3.203 2.247 1.994 2.856 . 0 0 "[ . ]" 1
855 1 38 LYS H 1 38 LYS HB3 2.464 . 3.223 3.167 3.018 3.325 0.102 5 0 "[ . ]" 1
856 1 38 LYS H 1 38 LYS QD 2.564 . 3.386 3.405 3.226 3.790 0.404 5 0 "[ . ]" 1
857 1 38 LYS H 1 38 LYS QG 3.259 . 4.587 4.039 3.911 4.350 . 0 0 "[ . ]" 1
858 1 38 LYS H 1 39 GLY H 2.332 . 3.012 2.250 1.754 2.494 . 0 0 "[ . ]" 1
859 1 38 LYS H 1 40 THR HA 3.898 . 5.798 5.853 5.189 6.142 0.344 4 0 "[ . ]" 1
860 1 38 LYS H 1 41 MET QB 3.693 . 5.398 4.769 3.361 5.273 . 0 0 "[ . ]" 1
861 1 38 LYS HA 1 38 LYS HB2 2.444 . 3.191 2.823 2.772 2.850 . 0 0 "[ . ]" 1
862 1 38 LYS HA 1 38 LYS HB3 2.521 . 3.315 2.885 2.861 2.907 . 0 0 "[ . ]" 1
863 1 38 LYS HA 1 38 LYS QD 3.345 . 4.743 2.007 1.906 2.089 0.041 5 0 "[ . ]" 1
864 1 38 LYS HA 1 38 LYS QE 3.962 . 5.924 3.733 3.288 4.096 . 0 0 "[ . ]" 1
865 1 38 LYS HA 1 38 LYS QG 2.717 . 3.640 2.477 2.428 2.511 . 0 0 "[ . ]" 1
866 1 38 LYS HA 1 39 GLY H 3.004 . 4.132 3.506 3.431 3.525 . 0 0 "[ . ]" 1
867 1 38 LYS HA 1 40 THR H 2.756 . 6.000 4.314 3.927 4.916 . 0 0 "[ . ]" 1
868 1 38 LYS HA 1 41 MET H 2.809 . 3.795 3.802 3.596 4.081 0.286 9 0 "[ . ]" 1
869 1 38 LYS HA 1 41 MET QB 2.599 . 3.443 3.342 3.064 3.546 0.103 3 0 "[ . ]" 1
870 1 38 LYS HA 1 41 MET HG2 3.820 . 5.644 4.715 2.723 5.656 0.012 5 0 "[ . ]" 1
871 1 38 LYS HA 1 41 MET HG3 3.373 . 4.795 4.045 3.432 5.692 0.897 4 1 "[ +. ]" 1
872 1 38 LYS HA 1 42 ARG H 4.421 . 6.865 5.885 5.485 6.236 . 0 0 "[ . ]" 1
873 1 38 LYS HB2 1 38 LYS QD 1.756 . 2.142 2.088 1.990 2.148 0.006 9 0 "[ . ]" 1
874 1 38 LYS HB2 1 38 LYS QE 3.207 . 4.493 4.013 3.909 4.176 . 0 0 "[ . ]" 1
875 1 38 LYS HB2 1 38 LYS QG 2.581 . 3.414 2.349 2.336 2.369 . 0 0 "[ . ]" 1
876 1 38 LYS HB2 1 39 GLY H 2.856 . 3.876 3.005 2.898 3.215 . 0 0 "[ . ]" 1
877 1 38 LYS HB2 1 40 THR H 3.440 . 4.919 4.820 3.992 5.012 0.093 5 0 "[ . ]" 1
878 1 38 LYS HB3 1 38 LYS QE 3.658 . 5.331 4.362 4.252 4.515 . 0 0 "[ . ]" 1
879 1 38 LYS HB3 1 38 LYS QE 3.148 . 4.387 3.936 3.810 4.065 . 0 0 "[ . ]" 1
880 1 38 LYS HB3 1 39 GLY H 2.014 . 2.521 2.612 2.530 2.779 0.258 9 0 "[ . ]" 1
881 1 38 LYS HB3 1 39 GLY HA3 2.722 . 6.000 4.215 4.131 4.494 . 0 0 "[ . ]" 1
882 1 38 LYS HB3 1 40 THR H 3.345 . 4.744 4.535 2.812 4.778 0.034 4 0 "[ . ]" 1
883 1 38 LYS QD 1 38 LYS QE 2.182 . 2.777 2.053 2.002 2.096 . 0 0 "[ . ]" 1
884 1 38 LYS QD 1 38 LYS QG 1.930 . 2.396 2.089 2.078 2.093 . 0 0 "[ . ]" 1
885 1 38 LYS QD 1 39 GLY H 3.020 . 6.000 4.585 4.532 4.663 . 0 0 "[ . ]" 1
886 1 38 LYS QD 1 41 MET QB 3.713 . 5.436 4.211 3.736 4.596 . 0 0 "[ . ]" 1
887 1 38 LYS QE 1 38 LYS QG 2.779 . 3.744 2.232 2.137 2.372 . 0 0 "[ . ]" 1
888 1 38 LYS QG 1 39 GLY H 3.745 . 5.498 4.245 4.190 4.335 . 0 0 "[ . ]" 1
889 1 39 GLY H 1 39 GLY HA3 2.219 . 2.835 2.359 2.289 2.855 0.020 9 0 "[ . ]" 1
890 1 39 GLY H 1 40 THR H 2.398 . 3.117 2.448 2.281 2.557 . 0 0 "[ . ]" 1
891 1 39 GLY H 1 40 THR HA 3.610 . 5.239 4.975 4.350 5.109 . 0 0 "[ . ]" 1
892 1 39 GLY H 1 40 THR MG 4.413 . 6.847 4.391 4.149 4.690 . 0 0 "[ . ]" 1
893 1 39 GLY HA3 1 40 THR H 2.364 . 3.063 3.011 2.810 3.412 0.349 9 0 "[ . ]" 1
894 1 40 THR H 1 40 THR HA 2.512 . 3.301 2.749 2.286 2.836 . 0 0 "[ . ]" 1
895 1 40 THR H 1 40 THR HB 2.323 . 2.998 2.720 2.190 3.367 0.369 3 0 "[ . ]" 1
896 1 40 THR H 1 40 THR MG 2.618 . 3.475 2.756 2.576 3.007 . 0 0 "[ . ]" 1
897 1 40 THR H 1 41 MET HG2 4.534 . 7.104 5.607 3.518 6.693 . 0 0 "[ . ]" 1
898 1 40 THR H 1 41 MET HG3 4.125 . 6.252 5.302 4.724 6.291 0.039 6 0 "[ . ]" 1
899 1 40 THR HA 1 40 THR MG 2.215 . 6.000 3.158 3.069 3.200 . 0 0 "[ . ]" 1
900 1 40 THR HA 1 41 MET H 2.553 . 3.368 3.144 2.395 3.492 0.124 1 0 "[ . ]" 1
901 1 40 THR HA 1 43 ILE H 3.911 . 5.823 3.319 2.927 3.956 . 0 0 "[ . ]" 1
902 1 40 THR HA 1 44 ASN H 3.284 . 4.632 4.457 3.984 4.764 0.132 9 0 "[ . ]" 1
903 1 40 THR HA 1 44 ASN HD22 4.205 . 6.415 5.551 4.435 6.337 . 0 0 "[ . ]" 1
904 1 40 THR HB 1 40 THR MG 2.398 . 3.117 2.127 2.114 2.135 . 0 0 "[ . ]" 1
905 1 40 THR HB 1 43 ILE HB 2.343 . 6.000 4.486 4.142 5.114 . 0 0 "[ . ]" 1
906 1 40 THR HB 1 43 ILE MD 2.474 . 3.239 3.282 3.226 3.308 0.069 7 0 "[ . ]" 1
907 1 40 THR HB 1 43 ILE HG13 2.906 . 6.000 4.713 4.263 5.176 . 0 0 "[ . ]" 1
908 1 40 THR HB 1 43 ILE MG 2.738 . 6.000 5.285 4.952 5.831 . 0 0 "[ . ]" 1
909 1 40 THR HB 1 44 ASN H 2.943 . 6.000 5.580 5.237 5.894 . 0 0 "[ . ]" 1
910 1 40 THR HB 1 44 ASN HD21 3.914 . 5.829 4.580 4.368 4.917 . 0 0 "[ . ]" 1
911 1 40 THR HB 1 44 ASN HD22 4.269 . 6.547 4.950 4.445 5.309 . 0 0 "[ . ]" 1
912 1 40 THR MG 1 41 MET H 3.033 . 4.183 2.990 2.025 4.131 . 0 0 "[ . ]" 1
913 1 40 THR MG 1 41 MET HA 3.256 . 4.581 3.383 2.873 4.165 . 0 0 "[ . ]" 1
914 1 40 THR MG 1 41 MET HG2 3.953 . 5.906 4.830 4.040 5.912 0.006 9 0 "[ . ]" 1
915 1 40 THR MG 1 43 ILE HB 3.624 . 5.265 3.489 2.858 4.159 . 0 0 "[ . ]" 1
916 1 40 THR MG 1 43 ILE HG13 3.232 . 4.538 4.582 4.540 4.644 0.106 1 0 "[ . ]" 1
917 1 40 THR MG 1 43 ILE MG 2.646 . 6.000 4.317 3.744 5.068 . 0 0 "[ . ]" 1
918 1 40 THR MG 1 44 ASN HB2 3.433 . 4.906 3.605 3.170 4.005 . 0 0 "[ . ]" 1
919 1 40 THR MG 1 44 ASN HB3 3.433 . 4.906 4.765 4.441 4.928 0.022 1 0 "[ . ]" 1
920 1 40 THR MG 1 44 ASN HD21 2.875 . 3.909 1.953 1.786 2.188 0.055 6 0 "[ . ]" 1
921 1 40 THR MG 1 44 ASN HD22 2.829 . 3.829 2.313 1.956 2.555 . 0 0 "[ . ]" 1
922 1 41 MET H 1 41 MET HA 2.552 . 3.366 2.728 2.662 2.849 . 0 0 "[ . ]" 1
923 1 41 MET H 1 41 MET QB 2.580 . 3.283 2.190 2.033 2.631 . 0 0 "[ . ]" 1
924 1 41 MET H 1 41 MET HG2 2.933 . 4.008 3.516 1.774 4.178 0.170 3 0 "[ . ]" 1
925 1 41 MET H 1 41 MET HG3 2.747 . 3.690 3.326 2.758 4.041 0.351 6 0 "[ . ]" 1
926 1 41 MET H 1 42 ARG H 1.670 . 6.000 2.855 2.594 3.080 . 0 0 "[ . ]" 1
927 1 41 MET H 1 44 ASN HB2 3.367 . 4.784 4.810 4.452 4.944 0.160 1 0 "[ . ]" 1
928 1 41 MET H 1 44 ASN HD22 4.384 . 6.786 5.710 5.040 6.126 . 0 0 "[ . ]" 1
929 1 41 MET HA 1 41 MET QB 2.530 . 2.952 2.442 2.159 2.543 . 0 0 "[ . ]" 1
930 1 41 MET HA 1 41 MET HG2 2.822 . 3.818 2.616 2.115 3.690 . 0 0 "[ . ]" 1
931 1 41 MET HA 1 41 MET HG3 2.637 . 3.506 3.077 2.654 3.805 0.299 2 0 "[ . ]" 1
932 1 41 MET HA 1 42 ARG H 2.633 . 3.500 3.520 3.473 3.552 0.052 3 0 "[ . ]" 1
933 1 41 MET HA 1 44 ASN H 2.713 . 3.633 3.555 3.326 3.682 0.049 2 0 "[ . ]" 1
934 1 41 MET HA 1 44 ASN HB2 2.658 . 3.541 2.544 2.245 2.758 . 0 0 "[ . ]" 1
935 1 41 MET HA 1 44 ASN HD21 3.052 . 4.216 3.450 2.864 4.269 0.053 3 0 "[ . ]" 1
936 1 41 MET HA 1 44 ASN HD22 3.842 . 5.687 4.694 4.311 5.079 . 0 0 "[ . ]" 1
937 1 41 MET QB 1 41 MET HG2 2.482 . 3.252 2.385 2.318 2.507 . 0 0 "[ . ]" 1
938 1 41 MET QB 1 41 MET HG3 2.524 . 3.320 2.268 2.140 2.363 . 0 0 "[ . ]" 1
939 1 41 MET QB 1 42 ARG H 2.734 . 3.668 2.864 2.535 3.416 . 0 0 "[ . ]" 1
940 1 41 MET QB 1 44 ASN HB2 3.351 . 5.911 4.453 4.104 4.698 . 0 0 "[ . ]" 1
941 1 41 MET HG2 1 42 ARG H 3.529 . 5.086 4.415 2.025 5.111 0.025 7 0 "[ . ]" 1
942 1 41 MET HG3 1 42 ARG H 3.103 . 6.000 4.386 2.287 5.150 . 0 0 "[ . ]" 1
943 1 42 ARG H 1 42 ARG HA 2.304 . 2.968 2.817 2.767 2.851 . 0 0 "[ . ]" 1
944 1 42 ARG H 1 42 ARG HB2 2.146 . 2.721 2.599 2.425 2.882 0.161 1 0 "[ . ]" 1
945 1 42 ARG H 1 42 ARG HB3 2.303 . 2.966 2.473 2.209 2.645 . 0 0 "[ . ]" 1
946 1 42 ARG H 1 42 ARG HE 3.769 . 5.545 4.737 4.117 5.543 . 0 0 "[ . ]" 1
947 1 42 ARG H 1 42 ARG QG 2.967 . 4.067 3.974 3.853 4.044 . 0 0 "[ . ]" 1
948 1 42 ARG HA 1 42 ARG HB2 2.010 . 2.515 2.433 2.296 2.514 . 0 0 "[ . ]" 1
949 1 42 ARG HA 1 42 ARG HB3 2.745 . 3.687 3.014 2.940 3.028 . 0 0 "[ . ]" 1
950 1 42 ARG HA 1 42 ARG HE 3.517 . 5.063 3.168 1.936 4.900 0.035 7 0 "[ . ]" 1
951 1 42 ARG HA 1 42 ARG QG 2.568 . 3.392 2.675 2.428 2.905 . 0 0 "[ . ]" 1
952 1 42 ARG HA 1 45 ARG QB 3.165 . 4.417 2.902 2.524 3.719 . 0 0 "[ . ]" 1
953 1 42 ARG HA 1 45 ARG HE 4.198 . 6.401 5.008 2.519 6.442 0.041 2 0 "[ . ]" 1
954 1 42 ARG HA 1 46 ASN H 3.214 . 4.505 4.084 3.718 4.514 0.009 6 0 "[ . ]" 1
955 1 42 ARG HA 1 46 ASN HD21 4.621 . 7.290 4.141 3.201 4.750 . 0 0 "[ . ]" 1
956 1 42 ARG HA 1 46 ASN HD22 3.804 . 5.613 4.134 3.837 4.277 . 0 0 "[ . ]" 1
957 1 42 ARG HB2 1 42 ARG QD 2.043 . 2.565 2.489 2.277 2.821 0.256 1 0 "[ . ]" 1
958 1 42 ARG HB2 1 42 ARG HE 2.978 . 4.087 2.985 1.852 3.778 0.017 2 0 "[ . ]" 1
959 1 42 ARG HB2 1 42 ARG QG 1.904 . 2.357 2.397 2.319 2.489 0.132 3 0 "[ . ]" 1
960 1 42 ARG HB2 1 46 ASN HD21 3.654 . 5.323 5.041 4.441 5.358 0.035 6 0 "[ . ]" 1
961 1 42 ARG HB2 1 46 ASN HD22 3.588 . 5.197 4.747 4.463 5.065 . 0 0 "[ . ]" 1
962 1 42 ARG HB3 1 42 ARG HE 2.994 . 4.115 3.507 2.066 4.045 . 0 0 "[ . ]" 1
963 1 42 ARG HB3 1 43 ILE H 2.914 . 3.976 2.415 2.009 2.732 . 0 0 "[ . ]" 1
964 1 42 ARG HB3 1 46 ASN HD21 3.444 . 4.926 4.429 4.104 4.658 . 0 0 "[ . ]" 1
965 1 42 ARG HB3 1 46 ASN HD22 3.240 . 4.552 4.623 4.460 5.068 0.516 1 1 "[+ . ]" 1
966 1 42 ARG QD 1 42 ARG HE 2.512 . 3.301 2.456 2.339 2.491 . 0 0 "[ . ]" 1
967 1 42 ARG QD 1 42 ARG QG 1.862 . 2.296 1.787 1.780 1.801 . 0 0 "[ . ]" 1
968 1 42 ARG QD 1 46 ASN HD21 3.740 . 5.489 3.928 2.594 4.753 . 0 0 "[ . ]" 1
969 1 42 ARG QD 1 46 ASN HD22 3.232 . 4.538 2.940 1.845 3.851 0.081 2 0 "[ . ]" 1
970 1 42 ARG HE 1 42 ARG QG 2.897 . 3.946 2.463 2.226 2.916 . 0 0 "[ . ]" 1
971 1 42 ARG HE 1 46 ASN HD21 3.338 . 4.731 4.422 3.668 4.899 0.168 2 0 "[ . ]" 1
972 1 42 ARG HE 1 46 ASN HD22 3.473 . 4.981 3.703 2.653 4.502 . 0 0 "[ . ]" 1
973 1 42 ARG QG 1 43 ILE HG12 3.099 . 4.300 4.216 3.761 4.324 0.024 6 0 "[ . ]" 1
974 1 42 ARG QG 1 46 ASN HD21 3.584 . 5.190 2.356 1.969 2.779 0.009 2 0 "[ . ]" 1
975 1 42 ARG QG 1 46 ASN HD22 3.235 . 4.543 2.045 1.896 2.236 0.031 8 0 "[ . ]" 1
976 1 43 ILE H 1 43 ILE HA 2.458 . 3.213 2.788 2.756 2.824 . 0 0 "[ . ]" 1
977 1 43 ILE H 1 43 ILE HB 2.073 . 2.610 2.638 2.568 2.680 0.070 1 0 "[ . ]" 1
978 1 43 ILE H 1 43 ILE MD 2.495 . 6.000 3.485 3.322 3.605 . 0 0 "[ . ]" 1
979 1 43 ILE H 1 43 ILE HG12 2.546 . 3.356 3.131 2.997 3.312 . 0 0 "[ . ]" 1
980 1 43 ILE H 1 43 ILE HG13 2.325 . 3.001 1.890 1.760 2.001 . 0 0 "[ . ]" 1
981 1 43 ILE H 1 43 ILE MG 2.474 . 6.000 3.752 3.733 3.774 . 0 0 "[ . ]" 1
982 1 43 ILE H 1 46 ASN H 2.908 . 6.000 4.855 4.728 5.112 . 0 0 "[ . ]" 1
983 1 43 ILE H 1 46 ASN HB2 3.654 . 5.323 5.226 5.032 5.383 0.060 9 0 "[ . ]" 1
984 1 43 ILE H 1 46 ASN HD21 4.351 . 6.717 4.294 3.883 4.734 . 0 0 "[ . ]" 1
985 1 43 ILE HA 1 43 ILE HB 2.408 . 3.133 3.018 3.013 3.023 . 0 0 "[ . ]" 1
986 1 43 ILE HA 1 43 ILE HG12 2.536 . 3.340 2.603 2.508 2.737 . 0 0 "[ . ]" 1
987 1 43 ILE HA 1 43 ILE HG13 2.471 . 3.234 3.101 2.976 3.186 . 0 0 "[ . ]" 1
988 1 43 ILE HA 1 43 ILE MG 2.361 . 3.058 2.346 2.295 2.390 . 0 0 "[ . ]" 1
989 1 43 ILE HA 1 44 ASN H 3.255 . 4.579 3.537 3.518 3.552 . 0 0 "[ . ]" 1
990 1 43 ILE HA 1 44 ASN HA 4.625 . 7.298 4.806 4.776 4.832 . 0 0 "[ . ]" 1
991 1 43 ILE HA 1 46 ASN H 2.887 . 3.929 3.663 3.371 3.873 . 0 0 "[ . ]" 1
992 1 43 ILE HA 1 46 ASN HA 4.146 . 6.295 5.667 5.452 5.868 . 0 0 "[ . ]" 1
993 1 43 ILE HA 1 46 ASN HB2 2.610 . 3.462 2.887 2.775 3.018 . 0 0 "[ . ]" 1
994 1 43 ILE HA 1 46 ASN HB3 2.629 . 6.000 4.529 4.415 4.627 . 0 0 "[ . ]" 1
995 1 43 ILE HA 1 46 ASN HD21 3.548 . 5.121 2.779 2.208 3.296 . 0 0 "[ . ]" 1
996 1 43 ILE HA 1 46 ASN HD22 3.848 . 5.699 4.293 3.718 4.862 . 0 0 "[ . ]" 1
997 1 43 ILE HA 1 47 ALA H 2.870 . 3.900 3.927 3.893 3.948 0.048 7 0 "[ . ]" 1
998 1 43 ILE HA 1 47 ALA MB 3.544 . 5.114 4.266 4.128 4.475 . 0 0 "[ . ]" 1
999 1 43 ILE HB 1 43 ILE HG12 2.564 . 3.386 3.026 3.020 3.030 . 0 0 "[ . ]" 1
1000 1 43 ILE HB 1 44 ASN H 2.576 . 3.405 2.511 2.272 2.810 . 0 0 "[ . ]" 1
1001 1 43 ILE HB 1 44 ASN HA 3.332 . 4.720 4.122 3.995 4.243 . 0 0 "[ . ]" 1
1002 1 43 ILE HB 1 44 ASN HB2 3.654 . 5.323 4.488 4.303 4.681 . 0 0 "[ . ]" 1
1003 1 43 ILE HG12 1 43 ILE MG 2.421 . 3.154 2.392 2.339 2.438 . 0 0 "[ . ]" 1
1004 1 43 ILE HG12 1 47 ALA MB 3.740 . 6.000 5.861 5.608 6.017 0.017 7 0 "[ . ]" 1
1005 1 43 ILE HG13 1 43 ILE MG 2.440 . 3.184 3.205 3.198 3.207 0.023 9 0 "[ . ]" 1
1006 1 43 ILE HG13 1 46 ASN HB2 3.426 . 6.000 5.896 5.694 6.045 0.045 1 0 "[ . ]" 1
1007 1 43 ILE MG 1 44 ASN H 3.195 . 4.471 3.505 3.427 3.651 . 0 0 "[ . ]" 1
1008 1 43 ILE MG 1 44 ASN HA 3.149 . 4.389 3.573 3.462 3.657 . 0 0 "[ . ]" 1
1009 1 43 ILE MG 1 44 ASN HB2 3.532 . 5.091 5.099 4.964 5.139 0.048 1 0 "[ . ]" 1
1010 1 43 ILE MG 1 44 ASN HB3 3.859 . 5.721 5.658 5.544 5.756 0.035 6 0 "[ . ]" 1
1011 1 43 ILE MG 1 44 ASN HD21 3.499 . 5.029 4.204 3.351 5.042 0.013 6 0 "[ . ]" 1
1012 1 43 ILE MG 1 44 ASN HD22 4.343 . 6.700 4.767 4.308 5.658 . 0 0 "[ . ]" 1
1013 1 43 ILE MG 1 45 ARG H 3.726 . 5.462 5.157 4.946 5.424 . 0 0 "[ . ]" 1
1014 1 43 ILE MG 1 46 ASN H 2.818 . 6.000 4.876 4.584 5.107 . 0 0 "[ . ]" 1
1015 1 43 ILE MG 1 46 ASN HB2 3.449 . 4.936 3.995 3.598 4.351 . 0 0 "[ . ]" 1
1016 1 43 ILE MG 1 46 ASN HD21 4.333 . 6.680 4.515 4.095 5.094 . 0 0 "[ . ]" 1
1017 1 43 ILE MG 1 46 ASN HD22 5.010 . 8.147 5.860 5.395 6.343 . 0 0 "[ . ]" 1
1018 1 43 ILE MG 1 47 ALA H 3.548 . 5.121 3.975 3.770 4.182 . 0 0 "[ . ]" 1
1019 1 43 ILE MG 1 47 ALA MB 2.712 . 3.631 2.884 2.578 3.065 . 0 0 "[ . ]" 1
1020 1 44 ASN H 1 44 ASN HA 2.456 . 3.210 2.799 2.787 2.822 . 0 0 "[ . ]" 1
1021 1 44 ASN H 1 44 ASN HB2 2.447 . 3.195 2.203 2.093 2.289 . 0 0 "[ . ]" 1
1022 1 44 ASN H 1 44 ASN HB3 2.504 . 6.000 3.492 3.349 3.542 . 0 0 "[ . ]" 1
1023 1 44 ASN H 1 44 ASN HD21 3.385 . 4.817 2.389 2.010 3.149 . 0 0 "[ . ]" 1
1024 1 44 ASN H 1 44 ASN HD22 3.598 . 5.216 3.922 3.543 4.611 . 0 0 "[ . ]" 1
1025 1 44 ASN H 1 45 ARG H 2.330 . 3.009 2.764 2.675 2.951 . 0 0 "[ . ]" 1
1026 1 44 ASN H 1 47 ALA H 2.727 . 6.000 4.544 4.391 4.632 . 0 0 "[ . ]" 1
1027 1 44 ASN H 1 47 ALA MB 3.717 . 5.444 4.279 4.118 4.370 . 0 0 "[ . ]" 1
1028 1 44 ASN HA 1 44 ASN HB3 2.332 . 3.012 2.668 2.569 2.797 . 0 0 "[ . ]" 1
1029 1 44 ASN HA 1 44 ASN HD21 3.740 . 5.489 3.294 2.360 3.748 . 0 0 "[ . ]" 1
1030 1 44 ASN HA 1 44 ASN HD22 3.942 . 5.885 3.898 3.450 4.208 . 0 0 "[ . ]" 1
1031 1 44 ASN HA 1 45 ARG H 3.217 . 4.511 3.551 3.532 3.584 . 0 0 "[ . ]" 1
1032 1 44 ASN HA 1 47 ALA H 2.646 . 3.521 3.501 3.305 3.557 0.036 8 0 "[ . ]" 1
1033 1 44 ASN HA 1 47 ALA MB 2.359 . 3.054 2.270 2.029 2.316 . 0 0 "[ . ]" 1
1034 1 44 ASN HA 1 48 TYR H 3.102 . 4.304 3.996 3.888 4.382 0.078 1 0 "[ . ]" 1
1035 1 44 ASN HA 1 48 TYR HD1 3.683 . 5.378 4.466 3.676 4.883 . 0 0 "[ . ]" 1
1036 1 44 ASN HB2 1 44 ASN HD21 2.976 . 4.083 2.353 2.170 2.804 . 0 0 "[ . ]" 1
1037 1 44 ASN HB2 1 45 ARG H 2.934 . 4.010 2.737 2.447 2.908 . 0 0 "[ . ]" 1
1038 1 44 ASN HB2 1 45 ARG HA 4.971 . 8.060 4.705 4.412 5.008 . 0 0 "[ . ]" 1
1039 1 44 ASN HB2 1 47 ALA MB 3.367 . 4.784 4.794 4.666 4.835 0.051 7 0 "[ . ]" 1
1040 1 44 ASN HB2 1 48 TYR H 3.923 . 5.846 5.830 5.755 6.013 0.167 1 0 "[ . ]" 1
1041 1 44 ASN HB2 1 48 TYR HD1 3.921 . 5.842 5.763 5.410 5.893 0.051 6 0 "[ . ]" 1
1042 1 44 ASN HB3 1 44 ASN HD21 3.040 . 4.195 3.480 3.400 3.538 . 0 0 "[ . ]" 1
1043 1 44 ASN HB3 1 45 ARG H 2.776 . 3.740 3.180 2.528 3.368 . 0 0 "[ . ]" 1
1044 1 44 ASN HB3 1 45 ARG HA 3.198 . 4.476 4.048 3.724 4.143 . 0 0 "[ . ]" 1
1045 1 44 ASN HB3 1 47 ALA MB 3.084 . 4.273 4.250 4.080 4.374 0.101 6 0 "[ . ]" 1
1046 1 44 ASN HB3 1 48 TYR H 3.638 . 5.292 4.880 4.785 5.308 0.016 1 0 "[ . ]" 1
1047 1 44 ASN HB3 1 48 TYR HD1 3.529 . 5.086 4.116 3.857 4.438 . 0 0 "[ . ]" 1
1048 1 44 ASN HB3 1 48 TYR HE1 4.162 . 6.327 5.496 4.926 5.814 . 0 0 "[ . ]" 1
1049 1 44 ASN HD21 1 45 ARG H 4.036 . 6.072 4.536 4.167 4.949 . 0 0 "[ . ]" 1
1050 1 44 ASN HD21 1 47 ALA MB 5.347 . 8.921 5.001 4.068 5.346 . 0 0 "[ . ]" 1
1051 1 44 ASN HD22 1 45 ARG H 4.703 . 7.468 5.933 5.649 6.110 . 0 0 "[ . ]" 1
1052 1 44 ASN HD22 1 47 ALA MB 4.621 . 7.290 5.338 4.813 5.612 . 0 0 "[ . ]" 1
1053 1 45 ARG H 1 45 ARG HA 2.382 . 3.091 2.798 2.758 2.817 . 0 0 "[ . ]" 1
1054 1 45 ARG H 1 45 ARG QB 2.210 . 2.821 2.269 2.052 2.642 . 0 0 "[ . ]" 1
1055 1 45 ARG H 1 45 ARG HD2 3.700 . 5.411 4.689 3.931 5.578 0.167 6 0 "[ . ]" 1
1056 1 45 ARG H 1 45 ARG HD3 3.308 . 4.676 4.682 4.105 5.493 0.817 2 2 "[ + - ]" 1
1057 1 45 ARG H 1 45 ARG HE 3.575 . 5.172 4.830 3.950 5.194 0.022 7 0 "[ . ]" 1
1058 1 45 ARG H 1 45 ARG QG 2.957 . 4.050 3.012 1.923 4.034 . 0 0 "[ . ]" 1
1059 1 45 ARG H 1 46 ASN H 2.337 . 3.020 2.788 2.730 2.849 . 0 0 "[ . ]" 1
1060 1 45 ARG H 1 46 ASN HA 3.784 . 5.574 5.355 5.318 5.410 . 0 0 "[ . ]" 1
1061 1 45 ARG H 1 47 ALA MB 3.717 . 5.444 4.464 4.423 4.541 . 0 0 "[ . ]" 1
1062 1 45 ARG H 1 48 TYR HB2 3.433 . 4.906 4.614 4.446 4.683 . 0 0 "[ . ]" 1
1063 1 45 ARG H 1 48 TYR HB3 3.774 . 6.000 5.939 5.843 6.048 0.048 6 0 "[ . ]" 1
1064 1 45 ARG HA 1 45 ARG QB 2.069 . 3.136 2.417 2.291 2.530 . 0 0 "[ . ]" 1
1065 1 45 ARG HA 1 45 ARG HD2 3.740 . 5.489 3.465 1.983 4.939 0.008 9 0 "[ . ]" 1
1066 1 45 ARG HA 1 45 ARG HD3 3.740 . 5.489 4.141 3.540 4.959 . 0 0 "[ . ]" 1
1067 1 45 ARG HA 1 45 ARG HE 3.679 . 5.371 3.837 1.948 4.849 0.039 2 0 "[ . ]" 1
1068 1 45 ARG HA 1 45 ARG QG 2.667 . 3.556 2.529 2.243 2.795 . 0 0 "[ . ]" 1
1069 1 45 ARG HA 1 46 ASN H 2.428 . 6.000 3.562 3.554 3.567 . 0 0 "[ . ]" 1
1070 1 45 ARG HA 1 48 TYR QB 2.442 . 3.187 2.501 2.437 2.556 . 0 0 "[ . ]" 1
1071 1 45 ARG HA 1 48 TYR HD1 3.362 . 4.775 4.659 4.554 4.844 0.069 1 0 "[ . ]" 1
1072 1 45 ARG HA 1 49 GLY H 3.150 . 4.390 4.437 4.243 4.485 0.095 8 0 "[ . ]" 1
1073 1 45 ARG QB 1 45 ARG HD2 2.417 . 6.000 2.854 2.281 3.292 . 0 0 "[ . ]" 1
1074 1 45 ARG QB 1 45 ARG HD3 2.428 . 3.165 2.966 1.898 3.462 0.297 5 0 "[ . ]" 1
1075 1 45 ARG QB 1 45 ARG HE 2.831 . 3.833 2.277 1.809 3.469 0.107 4 0 "[ . ]" 1
1076 1 45 ARG QB 1 45 ARG QG 1.904 . 2.357 2.034 1.992 2.086 . 0 0 "[ . ]" 1
1077 1 45 ARG QB 1 46 ASN H 2.580 . 3.412 2.407 2.244 2.521 . 0 0 "[ . ]" 1
1078 1 45 ARG QB 1 46 ASN HA 3.490 . 5.013 3.827 3.683 4.269 . 0 0 "[ . ]" 1
1079 1 45 ARG QB 1 47 ALA H 3.444 . 4.926 4.407 4.357 4.519 . 0 0 "[ . ]" 1
1080 1 45 ARG QB 1 48 TYR HB2 3.671 . 5.165 4.597 4.470 4.708 . 0 0 "[ . ]" 1
1081 1 45 ARG HD2 1 45 ARG HE 2.862 . 3.886 2.799 2.582 2.936 . 0 0 "[ . ]" 1
1082 1 45 ARG HD3 1 45 ARG HE 2.768 . 3.726 2.760 2.553 2.930 . 0 0 "[ . ]" 1
1083 1 45 ARG HE 1 45 ARG QG 2.860 . 3.883 2.569 2.242 2.793 . 0 0 "[ . ]" 1
1084 1 45 ARG HE 1 46 ASN H 3.711 . 5.432 4.440 3.418 5.047 . 0 0 "[ . ]" 1
1085 1 45 ARG HE 1 46 ASN HA 3.628 . 5.273 4.793 2.165 5.324 0.051 3 0 "[ . ]" 1
1086 1 45 ARG QG 1 46 ASN HA 3.774 . 5.554 5.125 3.960 5.749 0.195 1 0 "[ . ]" 1
1087 1 46 ASN H 1 46 ASN HA 2.573 . 3.400 2.811 2.799 2.826 . 0 0 "[ . ]" 1
1088 1 46 ASN H 1 46 ASN HB2 2.430 . 3.168 2.436 2.318 2.532 . 0 0 "[ . ]" 1
1089 1 46 ASN H 1 46 ASN HB3 2.744 . 3.685 3.580 3.552 3.592 . 0 0 "[ . ]" 1
1090 1 46 ASN H 1 46 ASN HD21 3.647 . 5.310 2.870 2.198 3.592 . 0 0 "[ . ]" 1
1091 1 46 ASN H 1 46 ASN HD22 3.812 . 5.628 3.759 3.343 4.153 . 0 0 "[ . ]" 1
1092 1 46 ASN H 1 47 ALA H 1.973 . 2.460 2.538 2.493 2.563 0.103 2 0 "[ . ]" 1
1093 1 46 ASN H 1 47 ALA H 2.461 . 3.218 2.278 2.258 2.298 . 0 0 "[ . ]" 1
1094 1 46 ASN HA 1 46 ASN HB2 2.426 . 3.162 3.027 3.017 3.034 . 0 0 "[ . ]" 1
1095 1 46 ASN HA 1 46 ASN HB3 2.292 . 2.949 2.521 2.464 2.598 . 0 0 "[ . ]" 1
1096 1 46 ASN HA 1 46 ASN HD21 3.628 . 5.273 4.151 3.751 4.477 . 0 0 "[ . ]" 1
1097 1 46 ASN HA 1 46 ASN HD22 3.774 . 5.554 4.485 4.214 4.724 . 0 0 "[ . ]" 1
1098 1 46 ASN HA 1 47 ALA H 2.799 . 3.778 3.486 3.478 3.503 . 0 0 "[ . ]" 1
1099 1 46 ASN HA 1 49 GLY H 3.128 . 4.351 3.353 2.922 3.504 . 0 0 "[ . ]" 1
1100 1 46 ASN HA 1 50 SER H 3.462 . 6.000 5.916 5.178 6.062 0.062 9 0 "[ . ]" 1
1101 1 46 ASN HB2 1 46 ASN HD21 2.719 . 3.643 2.194 2.129 2.271 . 0 0 "[ . ]" 1
1102 1 46 ASN HB2 1 46 ASN HD22 2.961 . 4.057 3.462 3.441 3.484 . 0 0 "[ . ]" 1
1103 1 46 ASN HB2 1 47 ALA H 2.813 . 3.802 2.705 2.659 2.777 . 0 0 "[ . ]" 1
1104 1 46 ASN HB3 1 46 ASN HD21 2.676 . 3.571 3.241 2.987 3.487 . 0 0 "[ . ]" 1
1105 1 46 ASN HB3 1 46 ASN HD22 2.914 . 3.976 3.935 3.811 4.042 0.066 2 0 "[ . ]" 1
1106 1 46 ASN HB3 1 47 ALA H 2.926 . 3.997 3.676 3.470 3.818 . 0 0 "[ . ]" 1
1107 1 46 ASN HB3 1 47 ALA MB 3.588 . 5.197 4.815 4.568 4.970 . 0 0 "[ . ]" 1
1108 1 46 ASN HD21 1 47 ALA H 4.229 . 6.464 4.389 3.930 4.854 . 0 0 "[ . ]" 1
1109 1 46 ASN HD22 1 47 ALA H 4.538 . 7.112 5.708 5.431 5.982 . 0 0 "[ . ]" 1
1110 1 47 ALA H 1 47 ALA HA 2.452 . 3.203 2.833 2.829 2.840 . 0 0 "[ . ]" 1
1111 1 47 ALA H 1 47 ALA MB 2.303 . 2.966 2.236 2.225 2.251 . 0 0 "[ . ]" 1
1112 1 47 ALA H 1 48 TYR H 2.517 . 3.309 2.577 2.551 2.607 . 0 0 "[ . ]" 1
1113 1 47 ALA H 1 48 TYR HA 3.865 . 5.732 5.209 5.180 5.238 . 0 0 "[ . ]" 1
1114 1 47 ALA H 1 48 TYR HB2 2.530 . 6.000 4.369 4.265 4.414 . 0 0 "[ . ]" 1
1115 1 47 ALA H 1 48 TYR HD1 4.599 . 7.243 5.591 4.791 5.929 . 0 0 "[ . ]" 1
1116 1 47 ALA HA 1 47 ALA MB 2.078 . 2.618 2.133 2.132 2.134 . 0 0 "[ . ]" 1
1117 1 47 ALA HA 1 48 TYR H 2.787 . 3.758 3.495 3.304 3.530 . 0 0 "[ . ]" 1
1118 1 47 ALA HA 1 50 SER H 2.691 . 6.000 4.588 4.479 4.888 . 0 0 "[ . ]" 1
1119 1 47 ALA MB 1 48 TYR H 2.479 . 3.247 2.574 2.386 3.210 . 0 0 "[ . ]" 1
1120 1 47 ALA MB 1 48 TYR HA 3.517 . 5.063 3.863 3.777 4.171 . 0 0 "[ . ]" 1
1121 1 47 ALA MB 1 48 TYR HB2 3.128 . 4.351 3.907 3.841 3.955 . 0 0 "[ . ]" 1
1122 1 47 ALA MB 1 48 TYR HB3 3.347 . 6.000 5.120 5.068 5.297 . 0 0 "[ . ]" 1
1123 1 47 ALA MB 1 48 TYR HD1 3.517 . 5.063 3.851 3.066 4.243 . 0 0 "[ . ]" 1
1124 1 47 ALA MB 1 48 TYR HE1 4.142 . 6.287 5.642 4.537 6.120 . 0 0 "[ . ]" 1
1125 1 47 ALA MB 1 49 GLY H 3.676 . 5.365 4.268 4.145 4.670 . 0 0 "[ . ]" 1
1126 1 47 ALA MB 1 49 GLY QA 4.030 . 6.060 4.815 4.680 4.977 . 0 0 "[ . ]" 1
1127 1 47 ALA MB 1 51 MET H 4.116 . 6.234 4.414 4.223 5.160 . 0 0 "[ . ]" 1
1128 1 47 ALA MB 1 51 MET HB2 4.314 . 6.640 3.067 2.819 3.475 . 0 0 "[ . ]" 1
1129 1 47 ALA MB 1 51 MET HB3 3.259 . 4.587 3.998 3.769 4.171 . 0 0 "[ . ]" 1
1130 1 47 ALA MB 1 51 MET HG2 3.726 . 5.462 3.864 3.491 4.729 . 0 0 "[ . ]" 1
1131 1 48 TYR H 1 48 TYR HA 2.242 . 2.870 2.828 2.796 2.936 0.066 1 0 "[ . ]" 1
1132 1 48 TYR H 1 48 TYR HB2 2.204 . 2.811 2.099 2.025 2.356 . 0 0 "[ . ]" 1
1133 1 48 TYR H 1 48 TYR HB3 2.498 . 3.278 3.161 3.057 3.349 0.071 1 0 "[ . ]" 1
1134 1 48 TYR H 1 48 TYR HD1 3.129 . 4.353 3.565 3.239 3.775 . 0 0 "[ . ]" 1
1135 1 48 TYR H 1 48 TYR HE1 4.432 . 6.887 6.002 5.686 6.196 . 0 0 "[ . ]" 1
1136 1 48 TYR H 1 49 GLY H 2.344 . 3.031 2.490 1.946 2.628 . 0 0 "[ . ]" 1
1137 1 48 TYR H 1 50 SER H 2.585 . 6.000 4.337 3.989 4.414 . 0 0 "[ . ]" 1
1138 1 48 TYR H 1 51 MET H 4.216 . 6.437 4.737 4.505 4.812 . 0 0 "[ . ]" 1
1139 1 48 TYR H 1 51 MET HB2 3.723 . 5.455 4.330 4.135 4.411 . 0 0 "[ . ]" 1
1140 1 48 TYR H 1 51 MET HB3 3.462 . 6.000 5.992 5.800 6.046 0.046 8 0 "[ . ]" 1
1141 1 48 TYR HA 1 48 TYR QB 2.138 . 2.709 2.530 2.521 2.541 . 0 0 "[ . ]" 1
1142 1 48 TYR HA 1 48 TYR HD1 2.726 . 3.655 3.004 2.921 3.077 . 0 0 "[ . ]" 1
1143 1 48 TYR HA 1 48 TYR HE1 3.854 . 5.710 4.750 4.698 4.811 . 0 0 "[ . ]" 1
1144 1 48 TYR HA 1 49 GLY H 2.991 . 4.110 3.423 3.381 3.443 . 0 0 "[ . ]" 1
1145 1 48 TYR HA 1 50 SER H 3.961 . 5.922 3.195 3.159 3.305 . 0 0 "[ . ]" 1
1146 1 48 TYR HA 1 51 MET H 3.249 . 4.568 3.366 3.233 3.586 . 0 0 "[ . ]" 1
1147 1 48 TYR HA 1 51 MET HB2 2.723 . 3.650 3.015 2.855 3.270 . 0 0 "[ . ]" 1
1148 1 48 TYR HA 1 51 MET HG3 3.567 . 5.158 5.243 4.785 5.656 0.498 1 0 "[ . ]" 1
1149 1 48 TYR HA 1 52 GLY H 3.621 . 5.260 2.092 1.935 2.398 0.047 9 0 "[ . ]" 1
1150 1 48 TYR HA 1 52 GLY QA 3.520 . 5.068 2.647 2.325 3.047 . 0 0 "[ . ]" 1
1151 1 48 TYR QB 1 48 TYR QD 2.351 . 3.042 2.138 2.136 2.140 . 0 0 "[ . ]" 1
1152 1 48 TYR QB 1 49 GLY QA 2.959 . 4.053 3.301 3.217 3.417 . 0 0 "[ . ]" 1
1153 1 48 TYR HB2 1 49 GLY H 2.640 . 3.511 3.552 3.535 3.576 0.065 9 0 "[ . ]" 1
1154 1 48 TYR HB2 1 50 SER H 3.696 . 5.403 5.158 5.138 5.204 . 0 0 "[ . ]" 1
1155 1 48 TYR HB2 1 51 MET H 4.277 . 6.564 5.800 5.736 5.922 . 0 0 "[ . ]" 1
1156 1 48 TYR HB2 1 51 MET HB2 3.647 . 5.309 5.338 5.289 5.469 0.160 1 0 "[ . ]" 1
1157 1 48 TYR HB2 1 52 GLY H 3.709 . 5.428 4.807 4.635 5.067 . 0 0 "[ . ]" 1
1158 1 48 TYR HB3 1 49 GLY H 4.280 . 6.570 3.289 3.110 3.625 . 0 0 "[ . ]" 1
1159 1 48 TYR HB3 1 50 SER H 5.019 . 8.168 4.577 4.537 4.733 . 0 0 "[ . ]" 1
1160 1 48 TYR QD 1 52 GLY QA 3.180 . 4.444 2.924 2.765 3.093 . 0 0 "[ . ]" 1
1161 1 48 TYR QD 1 53 GLY QA 3.635 . 5.287 4.962 4.367 5.338 0.051 9 0 "[ . ]" 1
1162 1 48 TYR HD1 1 49 GLY H 3.508 . 6.000 5.474 5.249 5.610 . 0 0 "[ . ]" 1
1163 1 48 TYR HD1 1 51 MET H 5.308 . 8.830 6.133 6.010 6.245 . 0 0 "[ . ]" 1
1164 1 48 TYR HD1 1 51 MET HB2 3.848 . 5.699 4.778 4.610 4.968 . 0 0 "[ . ]" 1
1165 1 48 TYR HD1 1 51 MET HB3 3.883 . 5.768 5.750 5.574 5.823 0.055 1 0 "[ . ]" 1
1166 1 48 TYR HD1 1 53 GLY H 4.491 . 7.012 6.869 6.472 7.067 0.055 6 0 "[ . ]" 1
1167 1 48 TYR QE 1 52 GLY QA 3.598 . 5.216 3.086 2.976 3.342 . 0 0 "[ . ]" 1
1168 1 48 TYR QE 1 53 GLY QA 3.496 . 5.024 5.037 5.025 5.055 0.031 5 0 "[ . ]" 1
1169 1 49 GLY H 1 49 GLY QA 2.084 . 2.627 2.194 2.192 2.199 . 0 0 "[ . ]" 1
1170 1 49 GLY H 1 50 SER H 2.524 . 3.320 2.864 2.705 2.921 . 0 0 "[ . ]" 1
1171 1 49 GLY H 1 50 SER HA 3.799 . 5.603 5.435 5.325 5.474 . 0 0 "[ . ]" 1
1172 1 49 GLY H 1 50 SER HB2 2.433 . 6.000 5.339 5.036 5.540 . 0 0 "[ . ]" 1
1173 1 49 GLY H 1 51 MET H 3.734 . 5.477 4.060 3.776 4.162 . 0 0 "[ . ]" 1
1174 1 49 GLY H 1 52 GLY H 3.567 . 5.157 4.484 4.253 4.670 . 0 0 "[ . ]" 1
1175 1 50 SER H 1 50 SER HB2 2.238 . 6.000 3.327 3.005 3.500 . 0 0 "[ . ]" 1
1176 1 50 SER H 1 50 SER HB3 2.238 . 6.000 3.366 3.038 3.994 . 0 0 "[ . ]" 1
1177 1 50 SER H 1 51 MET H 2.662 . 3.548 1.804 1.701 1.877 0.075 1 0 "[ . ]" 1
1178 1 50 SER H 1 51 MET HG3 3.967 . 5.934 5.173 4.027 5.526 . 0 0 "[ . ]" 1
1179 1 50 SER HA 1 52 GLY H 3.007 . 4.137 4.104 3.967 4.194 0.057 2 0 "[ . ]" 1
1180 1 50 SER HA 1 53 GLY H 3.386 . 4.819 4.039 3.274 4.837 0.018 2 0 "[ . ]" 1
1181 1 50 SER HA 1 54 GLY H 3.320 . 4.698 4.297 2.729 4.705 0.007 2 0 "[ . ]" 1
1182 1 50 SER HB2 1 51 MET H 2.826 . 3.824 3.556 2.647 4.035 0.211 6 0 "[ . ]" 1
1183 1 50 SER HB3 1 51 MET H 3.058 . 4.227 3.080 2.676 3.791 . 0 0 "[ . ]" 1
1184 1 51 MET H 1 51 MET HA 2.527 . 3.325 2.851 2.836 2.856 . 0 0 "[ . ]" 1
1185 1 51 MET H 1 51 MET HB2 2.254 . 2.889 2.424 2.352 2.483 . 0 0 "[ . ]" 1
1186 1 51 MET H 1 51 MET HB3 3.484 . 5.002 3.585 3.548 3.598 . 0 0 "[ . ]" 1
1187 1 51 MET H 1 51 MET HG2 3.076 . 4.259 2.479 2.233 3.470 . 0 0 "[ . ]" 1
1188 1 51 MET H 1 51 MET HG3 2.906 . 3.962 3.558 2.318 3.824 . 0 0 "[ . ]" 1
1189 1 51 MET H 1 52 GLY H 2.662 . 3.548 2.485 2.460 2.523 . 0 0 "[ . ]" 1
1190 1 51 MET HA 1 51 MET HB2 2.210 . 6.000 3.021 3.015 3.025 . 0 0 "[ . ]" 1
1191 1 51 MET HA 1 51 MET HG2 2.840 . 3.848 2.984 2.516 3.120 . 0 0 "[ . ]" 1
1192 1 51 MET HA 1 51 MET HG3 2.971 . 4.075 3.665 3.099 3.779 . 0 0 "[ . ]" 1
1193 1 51 MET HA 1 52 GLY H 2.857 . 3.877 3.473 3.443 3.491 . 0 0 "[ . ]" 1
1194 1 51 MET HA 1 54 GLY H 3.784 . 5.573 3.914 3.274 4.466 . 0 0 "[ . ]" 1
1195 1 51 MET HB2 1 51 MET HG2 2.464 . 3.223 2.505 2.398 3.007 . 0 0 "[ . ]" 1
1196 1 51 MET HB2 1 51 MET HG3 2.256 . 2.892 2.414 2.377 2.446 . 0 0 "[ . ]" 1
1197 1 51 MET HB2 1 52 GLY H 2.717 . 3.640 2.920 2.821 3.085 . 0 0 "[ . ]" 1
1198 1 51 MET HB2 1 53 GLY H 3.978 . 5.956 5.070 4.729 5.374 . 0 0 "[ . ]" 1
1199 1 51 MET HB2 1 54 GLY H 4.064 . 6.129 6.014 5.536 6.155 0.026 9 0 "[ . ]" 1
1200 1 51 MET HB2 1 55 SER H 4.148 . 6.299 5.996 5.521 6.363 0.064 9 0 "[ . ]" 1
1201 1 51 MET HG2 1 52 GLY H 3.769 . 5.545 4.496 4.312 5.042 . 0 0 "[ . ]" 1
1202 1 51 MET HG3 1 52 GLY H 3.482 . 4.997 5.085 4.363 5.333 0.336 7 0 "[ . ]" 1
1203 1 52 GLY H 1 52 GLY QA 2.101 . 2.653 2.186 2.133 2.284 . 0 0 "[ . ]" 1
1204 1 53 GLY H 1 53 GLY QA 2.088 . 2.633 2.402 2.201 2.501 . 0 0 "[ . ]" 1
1205 1 53 GLY H 1 55 SER H 2.959 . 4.053 3.321 2.590 4.089 0.036 2 0 "[ . ]" 1
1206 1 53 GLY H 1 56 LEU H 3.220 . 4.516 4.216 3.563 4.563 0.047 9 0 "[ . ]" 1
1207 1 53 GLY QA 1 54 GLY H 2.336 . 3.018 2.828 2.507 2.918 . 0 0 "[ . ]" 1
1208 1 53 GLY QA 1 56 LEU H 3.523 . 5.074 4.816 4.032 5.288 0.214 9 0 "[ . ]" 1
1209 1 53 GLY QA 1 57 ARG H 4.340 . 6.694 5.494 3.742 6.713 0.019 5 0 "[ . ]" 1
1210 1 54 GLY H 1 54 GLY HA3 2.235 . 2.860 2.580 2.293 2.916 0.056 3 0 "[ . ]" 1
1211 1 54 GLY H 1 55 SER H 2.621 . 3.479 2.164 1.744 2.914 0.019 4 0 "[ . ]" 1
1212 1 54 GLY H 1 56 LEU H 3.651 . 5.317 3.374 2.906 4.042 . 0 0 "[ . ]" 1
1213 1 54 GLY H 1 57 ARG H 3.770 . 5.547 4.428 2.798 5.435 . 0 0 "[ . ]" 1
1214 1 54 GLY HA3 1 55 SER H 2.693 . 3.600 3.015 2.301 3.558 . 0 0 "[ . ]" 1
1215 1 54 GLY HA3 1 57 ARG H 3.520 . 5.068 4.968 3.886 5.581 0.513 5 1 "[ + ]" 1
1216 1 55 SER H 1 55 SER QB 2.406 . 2.878 2.517 2.093 3.048 0.170 9 0 "[ . ]" 1
1217 1 55 SER H 1 56 LEU H 2.626 . 3.488 2.761 2.559 2.952 . 0 0 "[ . ]" 1
1218 1 55 SER HA 1 55 SER QB 2.958 . 3.598 2.363 2.148 2.526 . 0 0 "[ . ]" 1
1219 1 55 SER QB 1 56 LEU H 3.089 . 4.127 3.196 2.013 3.928 . 0 0 "[ . ]" 1
1220 1 55 SER QB 1 56 LEU QD 3.007 . 4.137 3.237 1.920 3.760 . 0 0 "[ . ]" 1
1221 1 55 SER QB 1 57 ARG H 3.222 . 4.520 3.908 3.287 4.210 . 0 0 "[ . ]" 1
1222 1 56 LEU H 1 56 LEU HA 2.339 . 3.023 2.607 2.262 2.933 . 0 0 "[ . ]" 1
1223 1 56 LEU H 1 56 LEU QB 2.469 . 3.231 2.799 2.251 3.344 0.113 6 0 "[ . ]" 1
1224 1 56 LEU H 1 56 LEU QD 3.731 . 5.411 2.638 2.078 3.179 . 0 0 "[ . ]" 1
1225 1 56 LEU H 1 56 LEU HG 2.845 . 3.857 2.934 2.266 3.709 . 0 0 "[ . ]" 1
1226 1 56 LEU HA 1 56 LEU QB 2.344 . 3.031 2.332 2.136 2.444 . 0 0 "[ . ]" 1
1227 1 56 LEU HA 1 56 LEU QD 2.404 . 3.126 2.587 1.989 3.167 0.041 8 0 "[ . ]" 1
1228 1 56 LEU HA 1 56 LEU HG 2.362 . 3.060 2.885 2.367 3.556 0.496 8 0 "[ . ]" 1
1229 1 56 LEU HA 1 59 SER H 3.324 . 4.705 3.772 2.569 4.644 . 0 0 "[ . ]" 1
1230 1 56 LEU QB 1 56 LEU QD 2.324 . 2.999 1.918 1.887 1.944 . 0 0 "[ . ]" 1
1231 1 56 LEU QB 1 57 ARG H 3.015 . 4.152 3.455 2.820 4.009 . 0 0 "[ . ]" 1
1232 1 56 LEU QD 1 57 ARG H 4.371 . 6.759 4.103 3.820 4.384 . 0 0 "[ . ]" 1
1233 1 56 LEU QD 1 58 GLY H 3.946 . 5.892 4.586 3.993 5.077 . 0 0 "[ . ]" 1
1234 1 57 ARG H 1 57 ARG HA 2.396 . 3.113 2.733 2.261 2.898 . 0 0 "[ . ]" 1
1235 1 57 ARG H 1 57 ARG HB2 2.645 . 3.519 3.246 2.281 3.946 0.427 6 0 "[ . ]" 1
1236 1 57 ARG H 1 57 ARG HB3 2.884 . 3.924 3.068 2.310 3.703 . 0 0 "[ . ]" 1
1237 1 57 ARG H 1 57 ARG QD 3.930 . 5.861 4.099 3.660 4.576 . 0 0 "[ . ]" 1
1238 1 57 ARG H 1 57 ARG HG2 2.813 . 3.802 2.814 1.996 3.688 . 0 0 "[ . ]" 1
1239 1 57 ARG H 1 57 ARG HG3 2.912 . 3.972 3.164 2.391 4.041 0.069 6 0 "[ . ]" 1
1240 1 57 ARG H 1 58 GLY H 2.738 . 3.675 2.949 2.700 3.619 . 0 0 "[ . ]" 1
1241 1 57 ARG HA 1 57 ARG HB2 2.662 . 3.548 2.684 2.341 3.028 . 0 0 "[ . ]" 1
1242 1 57 ARG HA 1 57 ARG HB3 2.536 . 3.340 2.459 2.238 2.587 . 0 0 "[ . ]" 1
1243 1 57 ARG HA 1 57 ARG HE 3.215 . 4.507 4.238 3.826 4.540 0.033 1 0 "[ . ]" 1
1244 1 57 ARG HA 1 58 GLY H 2.515 . 3.306 2.988 2.531 3.410 0.104 2 0 "[ . ]" 1
1245 1 57 ARG HA 1 59 SER H 3.328 . 4.713 4.332 3.822 4.663 . 0 0 "[ . ]" 1
1246 1 57 ARG HB2 1 57 ARG QD 2.136 . 2.706 2.785 2.274 3.406 0.700 8 2 "[- . + ]" 1
1247 1 57 ARG HB2 1 57 ARG HE 3.508 . 5.046 2.673 1.949 3.649 0.021 9 0 "[ . ]" 1
1248 1 57 ARG HB2 1 58 GLY H 3.252 . 4.574 4.280 4.016 4.475 . 0 0 "[ . ]" 1
1249 1 57 ARG HB2 1 59 SER H 4.101 . 6.203 5.429 3.470 6.155 . 0 0 "[ . ]" 1
1250 1 57 ARG HB3 1 57 ARG QD 2.477 . 3.244 2.653 2.399 3.142 . 0 0 "[ . ]" 1
1251 1 57 ARG HB3 1 57 ARG HE 3.709 . 5.428 2.989 2.275 4.308 . 0 0 "[ . ]" 1
1252 1 57 ARG HB3 1 57 ARG QG 1.728 . 2.101 2.314 2.127 2.452 0.351 1 0 "[ . ]" 1
1253 1 57 ARG HB3 1 58 GLY H 3.373 . 4.795 4.423 3.982 4.639 . 0 0 "[ . ]" 1
1254 1 57 ARG HB3 1 59 SER H 4.475 . 6.978 5.691 4.844 6.091 . 0 0 "[ . ]" 1
1255 1 57 ARG HE 1 57 ARG HG2 3.369 . 4.788 3.352 2.416 3.672 . 0 0 "[ . ]" 1
1256 1 57 ARG HE 1 57 ARG HG3 3.433 . 4.906 2.818 2.337 3.597 . 0 0 "[ . ]" 1
1257 1 57 ARG HG2 1 58 GLY H 3.595 . 5.210 4.503 3.734 5.221 0.011 4 0 "[ . ]" 1
1258 1 58 GLY H 1 58 GLY HA3 2.230 . 2.852 2.700 2.453 2.942 0.090 5 0 "[ . ]" 1
1259 1 58 GLY H 1 59 SER H 2.378 . 3.085 2.089 1.667 2.778 0.004 4 0 "[ . ]" 1
1260 1 59 SER H 1 59 SER HA 2.809 . 3.796 2.766 2.272 2.945 . 0 0 "[ . ]" 1
1261 1 59 SER H 1 59 SER HB2 3.144 . 4.379 3.251 2.642 3.729 . 0 0 "[ . ]" 1
1262 1 59 SER H 1 59 SER HB3 2.679 . 3.576 2.957 2.465 3.548 . 0 0 "[ . ]" 1
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