NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437676 |
2k3i   |
15762 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k3i
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 1882
_Distance_constraint_stats_list.Viol_count 1358
_Distance_constraint_stats_list.Viol_total 3231.156
_Distance_constraint_stats_list.Viol_max 2.611
_Distance_constraint_stats_list.Viol_rms 0.0513
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.1190
_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]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.526 0.146 7 0 "[ . 1 . 2]"
1 7 VAL 0.820 0.146 7 0 "[ . 1 . 2]"
1 8 ASP 1.394 0.274 14 0 "[ . 1 . 2]"
1 9 LYS 1.394 0.274 14 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.244 0.103 10 0 "[ . 1 . 2]"
1 13 LYS 0.244 0.103 10 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.053 0.015 2 0 "[ . 1 . 2]"
1 17 ILE 0.641 0.121 3 0 "[ . 1 . 2]"
1 18 ASP 1.026 0.135 16 0 "[ . 1 . 2]"
1 19 ILE 5.149 0.740 19 3 "[ - . 1 * +2]"
1 20 GLY 0.442 0.151 13 0 "[ . 1 . 2]"
1 21 THR 1.840 0.545 3 1 "[ + . 1 . 2]"
1 22 VAL 1.631 0.199 15 0 "[ . 1 . 2]"
1 23 ILE 1.578 0.956 12 1 "[ . 1 + . 2]"
1 24 ASP 0.216 0.113 3 0 "[ . 1 . 2]"
1 25 ASN 2.057 0.956 12 1 "[ . 1 + . 2]"
1 26 ASP 4.085 0.808 9 2 "[ - . +1 . 2]"
1 27 ASN 1.686 0.284 6 0 "[ . 1 . 2]"
1 28 CYS 4.073 0.773 5 2 "[ - + 1 . 2]"
1 29 THR 2.617 0.808 9 2 "[ - . +1 . 2]"
1 30 SER 0.726 0.141 19 0 "[ . 1 . 2]"
1 31 LYS 3.987 0.331 12 0 "[ . 1 . 2]"
1 32 PHE 2.836 0.231 1 0 "[ . 1 . 2]"
1 33 SER 5.633 2.032 7 3 "[ .*+ 1 - . 2]"
1 34 ARG 2.393 0.297 8 0 "[ . 1 . 2]"
1 35 PHE 3.082 0.821 1 2 "[+ . - 1 . 2]"
1 36 PHE 1.857 0.297 8 0 "[ . 1 . 2]"
1 37 ALA 0.138 0.082 17 0 "[ . 1 . 2]"
1 38 THR 1.868 0.129 15 0 "[ . 1 . 2]"
1 39 ARG 11.395 1.890 20 6 "[ ** * -1* . +]"
1 40 GLU 7.754 1.475 18 3 "[ . - 1 * + 2]"
1 41 GLU 2.691 0.162 13 0 "[ . 1 . 2]"
1 42 ALA 7.080 1.722 18 3 "[ . - 1 * + 2]"
1 43 GLU 1.056 0.934 18 1 "[ . 1 . + 2]"
1 44 SER 0.400 0.106 1 0 "[ . 1 . 2]"
1 45 PHE 2.016 0.150 12 0 "[ . 1 . 2]"
1 46 MET 0.939 0.296 7 0 "[ . 1 . 2]"
1 47 THR 1.191 0.126 4 0 "[ . 1 . 2]"
1 48 LYS 13.404 1.343 8 6 "[ .* + - * *.* 2]"
1 49 LEU 3.732 0.764 7 2 "[ . + - . 2]"
1 50 LYS 17.116 2.611 6 10 "[** *+ *1 * .* *-*]"
1 51 GLU 1.406 0.180 20 0 "[ . 1 . 2]"
1 52 LEU 3.162 0.565 7 1 "[ . + 1 . 2]"
1 53 ALA 0.347 0.318 12 0 "[ . 1 . 2]"
1 54 ALA 1.169 1.053 2 1 "[ + . 1 . 2]"
1 55 ALA 0.161 0.026 5 0 "[ . 1 . 2]"
1 56 ALA 0.737 0.274 19 0 "[ . 1 . 2]"
1 57 SER 2.271 0.318 12 0 "[ . 1 . 2]"
1 58 SER 3.500 0.481 12 0 "[ . 1 . 2]"
1 59 ALA 12.486 1.940 4 8 "[-**+. * * * *. 2]"
1 60 ASP 1.211 0.381 1 0 "[ . 1 . 2]"
1 61 GLU 0.080 0.054 14 0 "[ . 1 . 2]"
1 62 GLY 1.554 1.053 2 1 "[ + . 1 . 2]"
1 63 ALA 15.215 1.940 4 8 "[-**+. * * * *. 2]"
1 64 SER 1.147 0.118 6 0 "[ . 1 . 2]"
1 65 VAL 14.278 2.611 6 10 "[** *+ *1 * .* *-*]"
1 66 ALA 0.855 0.271 6 0 "[ . 1 . 2]"
1 67 TYR 0.946 0.608 13 1 "[ . 1 + . 2]"
1 68 LYS 3.288 0.225 12 0 "[ . 1 . 2]"
1 69 ILE 14.462 1.722 18 4 "[ . - 1 * * + 2]"
1 70 LYS 4.683 0.251 5 0 "[ . 1 . 2]"
1 71 ASP 15.502 1.890 20 6 "[ ** * -1* . +]"
1 72 LEU 3.631 0.821 1 2 "[+ . - 1 . 2]"
1 73 GLU 0.770 0.128 2 0 "[ . 1 . 2]"
1 74 GLY 0.729 0.074 2 0 "[ . 1 . 2]"
1 75 GLN 0.777 0.082 17 0 "[ . 1 . 2]"
1 76 VAL 1.239 0.083 18 0 "[ . 1 . 2]"
1 77 GLU 2.186 0.761 1 1 "[+ . 1 . 2]"
1 78 LEU 5.684 0.342 12 0 "[ . 1 . 2]"
1 79 ASP 3.337 0.761 1 1 "[+ . 1 . 2]"
1 80 ALA 0.033 0.033 17 0 "[ . 1 . 2]"
1 81 ALA 1.903 0.331 12 0 "[ . 1 . 2]"
1 82 PHE 4.721 0.873 10 2 "[ . * + . 2]"
1 83 THR 3.854 0.941 10 2 "[ - + . 2]"
1 84 PHE 0.455 0.192 12 0 "[ . 1 . 2]"
1 85 SER 0.654 0.211 10 0 "[ . 1 . 2]"
1 86 CYS 0.501 0.081 9 0 "[ . 1 . 2]"
1 87 GLN 3.512 0.382 19 0 "[ . 1 . 2]"
1 88 ALA 0.125 0.075 3 0 "[ . 1 . 2]"
1 89 GLU 2.258 0.247 3 0 "[ . 1 . 2]"
1 90 MET 1.225 0.284 6 0 "[ . 1 . 2]"
1 91 ILE 4.878 0.382 19 0 "[ . 1 . 2]"
1 92 ILE 3.695 0.158 4 0 "[ . 1 . 2]"
1 93 PHE 1.186 0.274 19 0 "[ . 1 . 2]"
1 94 GLU 1.112 0.099 20 0 "[ . 1 . 2]"
1 95 LEU 0.589 0.125 2 0 "[ . 1 . 2]"
1 96 SER 1.661 0.199 19 0 "[ . 1 . 2]"
1 97 LEU 6.162 2.032 7 3 "[ .*+ 1 - . 2]"
1 98 ARG 8.523 2.000 20 3 "[ . 1 - *+]"
1 99 SER 1.134 0.565 7 1 "[ . + 1 . 2]"
1 100 LEU 12.014 1.343 8 6 "[ .* + - * *.* 2]"
1 101 ALA 0.446 0.068 19 0 "[ . 1 . 2]"
1 102 LEU 8.407 2.000 20 3 "[ . 1 - *+]"
1 103 GLU 0.416 0.104 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HB2 1 2 ALA H . . 5.190 4.048 2.261 4.496 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HB3 1 2 ALA H . . 5.190 3.869 2.883 4.484 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 3 MET H . . 5.500 3.704 2.097 4.537 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASP H 1 6 VAL H . . 5.340 4.020 2.054 4.611 . 0 0 "[ . 1 . 2]" 1
5 1 5 ASP HB2 1 6 VAL H . . 5.500 4.028 2.577 4.611 . 0 0 "[ . 1 . 2]" 1
6 1 5 ASP HB3 1 6 VAL H . . 5.500 4.165 3.430 4.477 . 0 0 "[ . 1 . 2]" 1
7 1 6 VAL HB 1 7 VAL H . . 4.200 3.748 2.476 4.346 0.146 7 0 "[ . 1 . 2]" 1
8 1 7 VAL H 1 7 VAL HB . . 3.240 3.013 2.569 3.325 0.085 1 0 "[ . 1 . 2]" 1
9 1 7 VAL HB 1 8 ASP H . . 4.850 4.287 4.091 4.489 . 0 0 "[ . 1 . 2]" 1
10 1 7 VAL MG1 1 8 ASP H . . 6.520 3.758 2.802 4.273 . 0 0 "[ . 1 . 2]" 1
11 1 7 VAL MG2 1 8 ASP H . . 6.520 3.298 2.234 4.343 . 0 0 "[ . 1 . 2]" 1
12 1 8 ASP HA 1 9 LYS H . . 3.170 2.239 2.027 3.083 . 0 0 "[ . 1 . 2]" 1
13 1 8 ASP HA 1 9 LYS HB2 . . 5.380 4.759 4.293 5.532 0.152 9 0 "[ . 1 . 2]" 1
14 1 8 ASP HA 1 9 LYS QB . . 5.180 4.245 3.939 4.837 . 0 0 "[ . 1 . 2]" 1
15 1 8 ASP HA 1 9 LYS HB3 . . 5.380 4.906 4.389 5.654 0.274 14 0 "[ . 1 . 2]" 1
16 1 8 ASP HB2 1 9 LYS H . . 5.100 3.805 2.522 4.470 . 0 0 "[ . 1 . 2]" 1
17 1 8 ASP HB3 1 9 LYS H . . 5.100 4.163 2.438 4.471 . 0 0 "[ . 1 . 2]" 1
18 1 9 LYS H 1 9 LYS HB2 . . 4.040 3.158 2.476 3.817 . 0 0 "[ . 1 . 2]" 1
19 1 9 LYS H 1 9 LYS QB . . 3.820 2.740 2.336 3.321 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS H 1 9 LYS HB3 . . 4.040 3.161 2.539 3.812 . 0 0 "[ . 1 . 2]" 1
21 1 9 LYS H 1 9 LYS HG2 . . 5.500 4.269 2.246 4.851 . 0 0 "[ . 1 . 2]" 1
22 1 9 LYS H 1 9 LYS HG3 . . 5.500 4.084 2.068 4.893 . 0 0 "[ . 1 . 2]" 1
23 1 9 LYS HB2 1 10 CYS H . . 5.130 4.243 2.487 4.629 . 0 0 "[ . 1 . 2]" 1
24 1 9 LYS HB3 1 10 CYS H . . 5.130 4.058 2.092 4.472 . 0 0 "[ . 1 . 2]" 1
25 1 10 CYS HB2 1 11 SER H . . 5.500 4.137 2.966 4.595 . 0 0 "[ . 1 . 2]" 1
26 1 10 CYS HB3 1 11 SER H . . 5.500 4.227 2.503 4.646 . 0 0 "[ . 1 . 2]" 1
27 1 11 SER H 1 12 THR H . . 5.040 3.996 3.436 4.599 . 0 0 "[ . 1 . 2]" 1
28 1 11 SER HB2 1 12 THR H . . 5.500 4.317 3.650 4.596 . 0 0 "[ . 1 . 2]" 1
29 1 11 SER HB3 1 12 THR H . . 5.500 4.125 2.533 4.464 . 0 0 "[ . 1 . 2]" 1
30 1 12 THR H 1 13 LYS H . . 4.320 3.684 1.520 4.423 0.103 10 0 "[ . 1 . 2]" 1
31 1 12 THR HB 1 13 LYS H . . 5.310 4.042 1.737 4.477 . 0 0 "[ . 1 . 2]" 1
32 1 12 THR MG 1 13 LYS H . . 6.520 3.491 2.433 4.268 . 0 0 "[ . 1 . 2]" 1
33 1 13 LYS H 1 13 LYS HG2 . . 5.500 3.796 2.560 5.230 . 0 0 "[ . 1 . 2]" 1
34 1 13 LYS H 1 13 LYS HG3 . . 5.500 3.721 2.747 4.817 . 0 0 "[ . 1 . 2]" 1
35 1 13 LYS HB2 1 14 GLY H . . 5.500 3.561 2.265 4.515 . 0 0 "[ . 1 . 2]" 1
36 1 13 LYS HB3 1 14 GLY H . . 5.500 3.501 1.753 4.473 . 0 0 "[ . 1 . 2]" 1
37 1 14 GLY H 1 15 CYS H . . 5.500 2.877 1.629 4.437 . 0 0 "[ . 1 . 2]" 1
38 1 15 CYS H 1 15 CYS HA . . 2.930 2.845 2.264 2.945 0.015 2 0 "[ . 1 . 2]" 1
39 1 17 ILE HA 1 18 ASP H . . 3.110 2.269 2.030 3.132 0.022 6 0 "[ . 1 . 2]" 1
40 1 17 ILE HB 1 18 ASP H . . 4.170 3.560 1.832 4.272 0.102 3 0 "[ . 1 . 2]" 1
41 1 17 ILE MD 1 18 ASP H . . 5.440 4.005 2.210 5.540 0.100 9 0 "[ . 1 . 2]" 1
42 1 17 ILE QG 1 18 ASP H . . 4.970 3.566 2.383 4.664 . 0 0 "[ . 1 . 2]" 1
43 1 17 ILE HG12 1 18 ASP H . . 5.310 4.359 2.658 5.238 . 0 0 "[ . 1 . 2]" 1
44 1 17 ILE HG13 1 18 ASP H . . 5.310 3.853 2.692 5.431 0.121 3 0 "[ . 1 . 2]" 1
45 1 17 ILE MG 1 18 ASP H . . 5.590 3.756 2.471 4.373 . 0 0 "[ . 1 . 2]" 1
46 1 18 ASP H 1 18 ASP HB2 . . 3.580 3.226 2.469 3.683 0.103 16 0 "[ . 1 . 2]" 1
47 1 18 ASP H 1 18 ASP QB . . 3.400 2.635 2.279 3.061 . 0 0 "[ . 1 . 2]" 1
48 1 18 ASP H 1 18 ASP HB3 . . 3.580 2.833 2.385 3.660 0.080 14 0 "[ . 1 . 2]" 1
49 1 18 ASP H 1 19 ILE H . . 4.350 3.976 2.392 4.485 0.135 16 0 "[ . 1 . 2]" 1
50 1 18 ASP HB2 1 19 ILE H . . 4.790 4.076 2.700 4.582 . 0 0 "[ . 1 . 2]" 1
51 1 18 ASP HB3 1 19 ILE H . . 4.790 3.980 2.213 4.516 . 0 0 "[ . 1 . 2]" 1
52 1 19 ILE H 1 19 ILE HB . . 3.580 2.816 2.345 3.698 0.118 3 0 "[ . 1 . 2]" 1
53 1 19 ILE H 1 19 ILE MD . . 5.310 3.415 2.054 4.147 . 0 0 "[ . 1 . 2]" 1
54 1 19 ILE H 1 19 ILE HG12 . . 3.830 2.730 1.814 3.885 0.055 4 0 "[ . 1 . 2]" 1
55 1 19 ILE H 1 19 ILE QG . . 3.510 2.277 1.792 2.771 . 0 0 "[ . 1 . 2]" 1
56 1 19 ILE H 1 19 ILE HG13 . . 3.830 3.136 2.038 3.896 0.066 7 0 "[ . 1 . 2]" 1
57 1 19 ILE H 1 19 ILE MG . . 4.500 3.678 2.725 3.935 . 0 0 "[ . 1 . 2]" 1
58 1 19 ILE H 1 20 GLY H . . 3.920 2.674 2.112 4.071 0.151 13 0 "[ . 1 . 2]" 1
59 1 19 ILE HB 1 20 GLY H . . 4.510 3.000 1.720 3.982 . 0 0 "[ . 1 . 2]" 1
60 1 19 ILE MD 1 20 GLY H . . 6.520 4.672 3.659 5.527 . 0 0 "[ . 1 . 2]" 1
61 1 19 ILE MD 1 98 ARG H . . 6.020 5.268 2.947 6.760 0.740 19 2 "[ . 1 - +2]" 1
62 1 19 ILE QG 1 20 GLY H . . 5.370 4.072 3.350 4.804 . 0 0 "[ . 1 . 2]" 1
63 1 19 ILE QG 1 21 THR H . . 6.160 5.012 4.287 6.053 . 0 0 "[ . 1 . 2]" 1
64 1 19 ILE QG 1 96 SER H . . 5.200 4.667 4.003 4.953 . 0 0 "[ . 1 . 2]" 1
65 1 19 ILE HG12 1 20 GLY H . . 5.500 4.611 3.968 5.649 0.149 13 0 "[ . 1 . 2]" 1
66 1 19 ILE HG12 1 96 SER H . . 5.500 5.418 4.090 5.628 0.128 1 0 "[ . 1 . 2]" 1
67 1 19 ILE HG13 1 20 GLY H . . 5.500 4.758 3.472 5.406 . 0 0 "[ . 1 . 2]" 1
68 1 19 ILE HG13 1 96 SER H . . 5.500 5.199 4.612 5.699 0.199 19 0 "[ . 1 . 2]" 1
69 1 19 ILE MG 1 20 GLY H . . 4.910 3.680 2.945 4.288 . 0 0 "[ . 1 . 2]" 1
70 1 19 ILE MG 1 21 THR H . . 4.810 3.834 2.699 5.355 0.545 3 1 "[ + . 1 . 2]" 1
71 1 19 ILE MG 1 21 THR HB . . 6.520 4.707 3.478 6.119 . 0 0 "[ . 1 . 2]" 1
72 1 20 GLY H 1 21 THR H . . 4.010 2.827 1.876 3.847 . 0 0 "[ . 1 . 2]" 1
73 1 21 THR H 1 21 THR HB . . 3.610 2.918 2.591 3.690 0.080 14 0 "[ . 1 . 2]" 1
74 1 21 THR H 1 21 THR MG . . 4.500 3.517 2.003 4.020 . 0 0 "[ . 1 . 2]" 1
75 1 21 THR H 1 22 VAL H . . 5.000 3.942 2.093 4.620 . 0 0 "[ . 1 . 2]" 1
76 1 21 THR HA 1 22 VAL H . . 3.140 2.360 2.082 3.330 0.190 2 0 "[ . 1 . 2]" 1
77 1 21 THR HA 1 22 VAL QG . . 8.070 3.618 3.255 4.345 . 0 0 "[ . 1 . 2]" 1
78 1 21 THR HB 1 22 VAL H . . 4.200 4.066 3.144 4.399 0.199 15 0 "[ . 1 . 2]" 1
79 1 21 THR MG 1 22 VAL H . . 4.630 3.138 1.599 4.103 . 0 0 "[ . 1 . 2]" 1
80 1 22 VAL H 1 22 VAL HB . . 3.670 3.357 2.523 3.764 0.094 10 0 "[ . 1 . 2]" 1
81 1 22 VAL HA 1 23 ILE H . . 2.960 2.335 2.091 3.069 0.109 18 0 "[ . 1 . 2]" 1
82 1 22 VAL HB 1 23 ILE H . . 4.540 3.478 1.917 4.457 . 0 0 "[ . 1 . 2]" 1
83 1 22 VAL MG1 1 23 ILE H . . 6.520 3.545 2.524 4.126 . 0 0 "[ . 1 . 2]" 1
84 1 22 VAL MG2 1 23 ILE H . . 6.520 3.647 2.429 4.339 . 0 0 "[ . 1 . 2]" 1
85 1 23 ILE H 1 23 ILE HB . . 3.520 2.954 2.458 3.612 0.092 10 0 "[ . 1 . 2]" 1
86 1 23 ILE H 1 23 ILE HG12 . . 5.310 3.991 1.989 5.123 . 0 0 "[ . 1 . 2]" 1
87 1 23 ILE H 1 23 ILE QG . . 4.950 3.333 1.962 4.199 . 0 0 "[ . 1 . 2]" 1
88 1 23 ILE H 1 23 ILE HG13 . . 5.310 3.737 2.232 4.798 . 0 0 "[ . 1 . 2]" 1
89 1 23 ILE HA 1 24 ASP H . . 3.520 2.471 2.111 3.552 0.032 15 0 "[ . 1 . 2]" 1
90 1 23 ILE HB 1 24 ASP H . . 5.500 3.791 1.605 4.473 . 0 0 "[ . 1 . 2]" 1
91 1 23 ILE HG12 1 24 ASP H . . 5.500 4.178 2.105 5.613 0.113 3 0 "[ . 1 . 2]" 1
92 1 23 ILE HG13 1 24 ASP H . . 5.500 4.030 2.447 5.148 . 0 0 "[ . 1 . 2]" 1
93 1 23 ILE MG 1 25 ASN H . . 5.150 4.251 3.124 6.106 0.956 12 1 "[ . 1 + . 2]" 1
94 1 24 ASP HB2 1 25 ASN H . . 5.500 3.571 1.895 4.551 . 0 0 "[ . 1 . 2]" 1
95 1 24 ASP HB3 1 25 ASN H . . 5.500 3.217 1.630 4.509 . 0 0 "[ . 1 . 2]" 1
96 1 25 ASN H 1 25 ASN HB2 . . 4.200 3.438 2.306 4.124 . 0 0 "[ . 1 . 2]" 1
97 1 25 ASN H 1 25 ASN HB3 . . 4.200 3.288 2.448 3.814 . 0 0 "[ . 1 . 2]" 1
98 1 25 ASN H 1 25 ASN HD21 . . 5.500 4.217 1.577 5.107 . 0 0 "[ . 1 . 2]" 1
99 1 25 ASN H 1 25 ASN QD . . 5.320 3.909 1.573 4.723 . 0 0 "[ . 1 . 2]" 1
100 1 25 ASN H 1 25 ASN HD22 . . 5.500 4.808 3.172 5.677 0.177 14 0 "[ . 1 . 2]" 1
101 1 25 ASN HA 1 25 ASN HD22 . . 5.500 4.605 3.355 5.172 . 0 0 "[ . 1 . 2]" 1
102 1 25 ASN QB 1 26 ASP H . . 4.340 3.242 2.242 4.027 . 0 0 "[ . 1 . 2]" 1
103 1 25 ASN QB 1 87 GLN QE . . 5.630 3.333 2.276 4.508 . 0 0 "[ . 1 . 2]" 1
104 1 25 ASN HB2 1 26 ASP H . . 4.540 3.659 2.261 4.552 0.012 5 0 "[ . 1 . 2]" 1
105 1 25 ASN HB2 1 87 GLN HE21 . . 6.580 4.793 3.141 6.593 0.013 5 0 "[ . 1 . 2]" 1
106 1 25 ASN HB2 1 87 GLN HE22 . . 6.580 3.913 2.309 6.231 . 0 0 "[ . 1 . 2]" 1
107 1 25 ASN HB3 1 26 ASP H . . 4.540 3.987 2.511 4.629 0.089 2 0 "[ . 1 . 2]" 1
108 1 25 ASN HB3 1 87 GLN HE21 . . 6.580 5.422 4.083 6.639 0.059 17 0 "[ . 1 . 2]" 1
109 1 25 ASN HB3 1 87 GLN HE22 . . 6.580 4.607 3.275 5.784 . 0 0 "[ . 1 . 2]" 1
110 1 25 ASN HD21 1 26 ASP H . . 5.500 4.078 2.795 5.331 . 0 0 "[ . 1 . 2]" 1
111 1 25 ASN HD22 1 26 ASP H . . 5.500 5.181 3.921 5.686 0.186 11 0 "[ . 1 . 2]" 1
112 1 26 ASP H 1 26 ASP HB2 . . 4.070 3.112 2.403 3.617 . 0 0 "[ . 1 . 2]" 1
113 1 26 ASP H 1 26 ASP QB . . 3.830 2.652 2.247 3.046 . 0 0 "[ . 1 . 2]" 1
114 1 26 ASP H 1 26 ASP HB3 . . 4.070 3.038 2.407 3.901 . 0 0 "[ . 1 . 2]" 1
115 1 26 ASP H 1 27 ASN H . . 4.110 2.957 2.181 4.262 0.152 6 0 "[ . 1 . 2]" 1
116 1 26 ASP QB 1 28 CYS H . . 6.380 5.928 3.279 6.948 0.568 2 1 "[ + . 1 . 2]" 1
117 1 26 ASP QB 1 29 THR H . . 6.380 5.893 3.525 7.188 0.808 9 2 "[ - . +1 . 2]" 1
118 1 26 ASP HB2 1 27 ASN H . . 4.970 3.554 2.429 4.475 . 0 0 "[ . 1 . 2]" 1
119 1 26 ASP HB3 1 27 ASN H . . 4.970 2.520 1.539 4.463 . 0 0 "[ . 1 . 2]" 1
120 1 27 ASN H 1 27 ASN QB . . 3.880 2.850 2.421 3.402 . 0 0 "[ . 1 . 2]" 1
121 1 27 ASN H 1 28 CYS H . . 4.380 4.279 2.195 4.497 0.117 11 0 "[ . 1 . 2]" 1
122 1 27 ASN HA 1 28 CYS H . . 3.450 2.638 2.352 3.508 0.058 6 0 "[ . 1 . 2]" 1
123 1 27 ASN HA 1 29 THR H . . 5.190 4.180 3.772 5.004 . 0 0 "[ . 1 . 2]" 1
124 1 27 ASN QB 1 28 CYS H . . 4.880 2.247 1.686 3.260 . 0 0 "[ . 1 . 2]" 1
125 1 27 ASN QB 1 83 THR MG . . 6.520 5.463 4.706 6.666 0.146 2 0 "[ . 1 . 2]" 1
126 1 27 ASN QD 1 90 MET ME . . 5.830 4.752 3.070 6.114 0.284 6 0 "[ . 1 . 2]" 1
127 1 28 CYS H 1 28 CYS HB2 . . 4.140 2.962 2.481 4.130 . 0 0 "[ . 1 . 2]" 1
128 1 28 CYS H 1 28 CYS HB3 . . 4.140 3.469 2.767 3.733 . 0 0 "[ . 1 . 2]" 1
129 1 28 CYS H 1 29 THR H . . 3.330 2.311 1.531 3.452 0.122 12 0 "[ . 1 . 2]" 1
130 1 28 CYS H 1 29 THR HB . . 5.130 4.416 3.742 5.076 . 0 0 "[ . 1 . 2]" 1
131 1 28 CYS H 1 29 THR MG . . 6.520 5.415 4.917 5.937 . 0 0 "[ . 1 . 2]" 1
132 1 28 CYS H 1 83 THR MG . . 5.150 4.873 4.052 5.923 0.773 5 1 "[ + 1 . 2]" 1
133 1 28 CYS HA 1 29 THR H . . 3.520 3.152 2.463 3.438 . 0 0 "[ . 1 . 2]" 1
134 1 28 CYS HA 1 83 THR MG . . 6.520 5.410 5.000 6.157 . 0 0 "[ . 1 . 2]" 1
135 1 28 CYS HA 1 87 GLN HA . . 5.500 3.032 2.300 4.031 . 0 0 "[ . 1 . 2]" 1
136 1 28 CYS HA 1 87 GLN HE21 . . 5.500 3.897 2.864 5.528 0.028 4 0 "[ . 1 . 2]" 1
137 1 28 CYS HA 1 87 GLN QE . . 5.010 3.735 2.835 4.421 . 0 0 "[ . 1 . 2]" 1
138 1 28 CYS HA 1 87 GLN HE22 . . 5.500 5.232 3.847 5.564 0.064 13 0 "[ . 1 . 2]" 1
139 1 28 CYS QB 1 83 THR MG . . 6.310 3.600 2.927 4.715 . 0 0 "[ . 1 . 2]" 1
140 1 28 CYS QB 1 84 PHE H . . 4.950 3.376 2.771 3.993 . 0 0 "[ . 1 . 2]" 1
141 1 28 CYS QB 1 87 GLN HA . . 6.380 3.535 2.665 4.561 . 0 0 "[ . 1 . 2]" 1
142 1 28 CYS QB 1 87 GLN QB . . 7.040 4.020 2.486 5.577 . 0 0 "[ . 1 . 2]" 1
143 1 28 CYS HB2 1 29 THR H . . 5.130 3.885 3.079 4.420 . 0 0 "[ . 1 . 2]" 1
144 1 28 CYS HB2 1 83 THR MG . . 6.490 3.798 3.080 4.914 . 0 0 "[ . 1 . 2]" 1
145 1 28 CYS HB2 1 84 PHE H . . 5.500 3.953 3.081 4.890 . 0 0 "[ . 1 . 2]" 1
146 1 28 CYS HB3 1 29 THR H . . 5.130 4.339 4.047 4.650 . 0 0 "[ . 1 . 2]" 1
147 1 28 CYS HB3 1 83 THR MG . . 6.490 4.509 3.627 6.072 . 0 0 "[ . 1 . 2]" 1
148 1 28 CYS HB3 1 84 PHE H . . 5.500 4.088 3.016 5.517 0.017 2 0 "[ . 1 . 2]" 1
149 1 29 THR H 1 29 THR HB . . 3.360 2.627 2.469 2.839 . 0 0 "[ . 1 . 2]" 1
150 1 29 THR H 1 29 THR MG . . 4.720 3.839 3.779 3.921 . 0 0 "[ . 1 . 2]" 1
151 1 29 THR H 1 30 SER H . . 5.500 4.351 4.152 4.502 . 0 0 "[ . 1 . 2]" 1
152 1 29 THR H 1 83 THR HA . . 5.500 4.599 4.242 4.938 . 0 0 "[ . 1 . 2]" 1
153 1 29 THR H 1 90 MET ME . . 5.430 4.374 3.433 5.341 . 0 0 "[ . 1 . 2]" 1
154 1 29 THR HA 1 30 SER H . . 3.210 2.152 2.084 2.191 . 0 0 "[ . 1 . 2]" 1
155 1 29 THR HA 1 30 SER HB2 . . 5.500 4.501 4.393 4.658 . 0 0 "[ . 1 . 2]" 1
156 1 29 THR HA 1 30 SER QB . . 5.080 4.125 4.026 4.402 . 0 0 "[ . 1 . 2]" 1
157 1 29 THR HA 1 30 SER HB3 . . 5.500 4.838 4.602 5.641 0.141 19 0 "[ . 1 . 2]" 1
158 1 29 THR HA 1 81 ALA MB . . 6.520 5.141 4.494 5.842 . 0 0 "[ . 1 . 2]" 1
159 1 29 THR HA 1 82 PHE H . . 5.500 4.581 4.251 5.047 . 0 0 "[ . 1 . 2]" 1
160 1 29 THR HA 1 83 THR HA . . 3.450 2.190 1.903 2.456 . 0 0 "[ . 1 . 2]" 1
161 1 29 THR HA 1 83 THR HB . . 5.500 5.068 4.719 5.357 . 0 0 "[ . 1 . 2]" 1
162 1 29 THR HA 1 83 THR MG . . 6.520 3.534 2.955 3.922 . 0 0 "[ . 1 . 2]" 1
163 1 29 THR HA 1 84 PHE H . . 4.320 3.129 2.582 3.701 . 0 0 "[ . 1 . 2]" 1
164 1 29 THR HB 1 30 SER H . . 5.500 4.198 4.077 4.307 . 0 0 "[ . 1 . 2]" 1
165 1 29 THR HB 1 83 THR MG . . 6.520 4.465 4.087 5.484 . 0 0 "[ . 1 . 2]" 1
166 1 29 THR MG 1 30 SER H . . 4.100 2.795 2.597 3.086 . 0 0 "[ . 1 . 2]" 1
167 1 29 THR MG 1 30 SER HA . . 6.520 3.940 3.760 4.105 . 0 0 "[ . 1 . 2]" 1
168 1 29 THR MG 1 31 LYS H . . 5.590 4.112 3.454 4.751 . 0 0 "[ . 1 . 2]" 1
169 1 29 THR MG 1 31 LYS HA . . 6.520 4.092 3.642 4.718 . 0 0 "[ . 1 . 2]" 1
170 1 29 THR MG 1 31 LYS QD . . 7.400 3.121 1.914 4.204 . 0 0 "[ . 1 . 2]" 1
171 1 29 THR MG 1 31 LYS QE . . 7.400 4.152 2.122 5.234 . 0 0 "[ . 1 . 2]" 1
172 1 29 THR MG 1 31 LYS HG2 . . 6.150 3.674 2.177 5.769 . 0 0 "[ . 1 . 2]" 1
173 1 29 THR MG 1 31 LYS QG . . 5.820 3.205 2.150 5.028 . 0 0 "[ . 1 . 2]" 1
174 1 29 THR MG 1 31 LYS HG3 . . 6.150 4.003 2.208 5.536 . 0 0 "[ . 1 . 2]" 1
175 1 29 THR MG 1 81 ALA HA . . 5.650 3.314 2.948 4.112 . 0 0 "[ . 1 . 2]" 1
176 1 29 THR MG 1 82 PHE H . . 4.410 3.262 2.807 3.901 . 0 0 "[ . 1 . 2]" 1
177 1 29 THR MG 1 82 PHE HA . . 6.520 4.112 3.637 4.961 . 0 0 "[ . 1 . 2]" 1
178 1 29 THR MG 1 83 THR H . . 6.520 3.684 3.234 4.685 . 0 0 "[ . 1 . 2]" 1
179 1 30 SER H 1 31 LYS H . . 5.100 4.336 4.161 4.547 . 0 0 "[ . 1 . 2]" 1
180 1 30 SER H 1 31 LYS HA . . 5.500 5.038 4.797 5.146 . 0 0 "[ . 1 . 2]" 1
181 1 30 SER H 1 81 ALA HA . . 5.500 4.553 4.083 4.950 . 0 0 "[ . 1 . 2]" 1
182 1 30 SER H 1 81 ALA MB . . 6.520 4.866 4.342 5.212 . 0 0 "[ . 1 . 2]" 1
183 1 30 SER H 1 82 PHE H . . 4.260 3.100 2.767 3.392 . 0 0 "[ . 1 . 2]" 1
184 1 30 SER H 1 82 PHE HA . . 4.720 4.615 4.428 4.781 0.061 5 0 "[ . 1 . 2]" 1
185 1 30 SER H 1 82 PHE HB2 . . 5.500 3.159 2.839 3.493 . 0 0 "[ . 1 . 2]" 1
186 1 30 SER H 1 82 PHE QB . . 5.220 3.074 2.782 3.375 . 0 0 "[ . 1 . 2]" 1
187 1 30 SER H 1 82 PHE HB3 . . 5.500 4.230 3.994 4.467 . 0 0 "[ . 1 . 2]" 1
188 1 30 SER H 1 82 PHE QD . . 7.630 4.642 4.319 4.966 . 0 0 "[ . 1 . 2]" 1
189 1 30 SER H 1 83 THR H . . 5.500 4.812 4.515 5.056 . 0 0 "[ . 1 . 2]" 1
190 1 30 SER H 1 83 THR MG . . 6.210 5.191 4.680 5.621 . 0 0 "[ . 1 . 2]" 1
191 1 30 SER H 1 84 PHE H . . 5.500 4.249 3.603 4.856 . 0 0 "[ . 1 . 2]" 1
192 1 30 SER H 1 84 PHE QD . . 7.630 3.548 2.799 4.195 . 0 0 "[ . 1 . 2]" 1
193 1 30 SER H 1 90 MET QG . . 6.380 3.660 2.972 5.499 . 0 0 "[ . 1 . 2]" 1
194 1 30 SER HA 1 31 LYS H . . 3.520 2.155 2.123 2.278 . 0 0 "[ . 1 . 2]" 1
195 1 30 SER HA 1 82 PHE H . . 5.500 4.654 4.467 4.887 . 0 0 "[ . 1 . 2]" 1
196 1 30 SER QB 1 53 ALA MB . . 7.400 6.278 5.589 7.353 . 0 0 "[ . 1 . 2]" 1
197 1 30 SER QB 1 84 PHE QD . . 8.510 3.571 2.792 4.244 . 0 0 "[ . 1 . 2]" 1
198 1 30 SER QB 1 84 PHE QE . . 8.510 2.485 1.693 3.826 . 0 0 "[ . 1 . 2]" 1
199 1 30 SER QB 1 90 MET QG . . 7.260 2.395 1.469 5.088 . 0 0 "[ . 1 . 2]" 1
200 1 30 SER QB 1 94 GLU QB . . 7.260 4.829 3.538 5.709 . 0 0 "[ . 1 . 2]" 1
201 1 30 SER QB 1 94 GLU QG . . 7.260 4.084 3.213 5.871 . 0 0 "[ . 1 . 2]" 1
202 1 30 SER QB 1 97 LEU QD . . 7.400 4.405 3.631 5.503 . 0 0 "[ . 1 . 2]" 1
203 1 30 SER HB2 1 31 LYS H . . 4.850 4.342 4.063 4.509 . 0 0 "[ . 1 . 2]" 1
204 1 30 SER HB2 1 82 PHE H . . 5.500 4.554 2.801 5.504 0.004 5 0 "[ . 1 . 2]" 1
205 1 30 SER HB2 1 82 PHE HB2 . . 5.500 3.667 2.127 4.473 . 0 0 "[ . 1 . 2]" 1
206 1 30 SER HB2 1 82 PHE HB3 . . 5.500 4.999 3.796 5.540 0.040 1 0 "[ . 1 . 2]" 1
207 1 30 SER HB2 1 82 PHE QD . . 7.630 4.786 2.873 5.752 . 0 0 "[ . 1 . 2]" 1
208 1 30 SER HB2 1 93 PHE QE . . 7.630 4.919 3.516 6.629 . 0 0 "[ . 1 . 2]" 1
209 1 30 SER HB3 1 31 LYS H . . 4.850 4.124 3.597 4.382 . 0 0 "[ . 1 . 2]" 1
210 1 30 SER HB3 1 82 PHE H . . 5.500 3.502 2.820 4.384 . 0 0 "[ . 1 . 2]" 1
211 1 30 SER HB3 1 82 PHE HB2 . . 5.500 2.702 1.718 3.863 . 0 0 "[ . 1 . 2]" 1
212 1 30 SER HB3 1 82 PHE HB3 . . 5.500 4.286 3.413 5.536 0.036 12 0 "[ . 1 . 2]" 1
213 1 30 SER HB3 1 82 PHE QD . . 7.630 3.492 2.623 4.357 . 0 0 "[ . 1 . 2]" 1
214 1 30 SER HB3 1 93 PHE QE . . 7.630 3.962 2.892 5.284 . 0 0 "[ . 1 . 2]" 1
215 1 31 LYS H 1 31 LYS HB2 . . 4.040 2.642 2.305 3.731 . 0 0 "[ . 1 . 2]" 1
216 1 31 LYS H 1 31 LYS QB . . 3.880 2.478 2.278 2.886 . 0 0 "[ . 1 . 2]" 1
217 1 31 LYS H 1 31 LYS HB3 . . 4.040 3.540 2.881 3.841 . 0 0 "[ . 1 . 2]" 1
218 1 31 LYS H 1 31 LYS HD2 . . 5.500 3.801 1.940 5.245 . 0 0 "[ . 1 . 2]" 1
219 1 31 LYS H 1 31 LYS QD . . 5.350 3.334 1.417 4.790 . 0 0 "[ . 1 . 2]" 1
220 1 31 LYS H 1 31 LYS HD3 . . 5.500 4.018 1.430 5.537 0.037 17 0 "[ . 1 . 2]" 1
221 1 31 LYS H 1 31 LYS QE . . 6.380 4.448 2.800 5.643 . 0 0 "[ . 1 . 2]" 1
222 1 31 LYS H 1 31 LYS HG2 . . 4.380 3.388 2.693 4.413 0.033 5 0 "[ . 1 . 2]" 1
223 1 31 LYS H 1 31 LYS QG . . 4.120 3.062 2.652 3.795 . 0 0 "[ . 1 . 2]" 1
224 1 31 LYS H 1 31 LYS HG3 . . 4.380 3.826 2.819 4.295 . 0 0 "[ . 1 . 2]" 1
225 1 31 LYS H 1 32 PHE H . . 4.720 4.346 4.116 4.511 . 0 0 "[ . 1 . 2]" 1
226 1 31 LYS H 1 81 ALA HA . . 5.500 4.601 4.070 4.890 . 0 0 "[ . 1 . 2]" 1
227 1 31 LYS H 1 81 ALA MB . . 6.360 5.184 4.484 5.603 . 0 0 "[ . 1 . 2]" 1
228 1 31 LYS HA 1 31 LYS HD2 . . 5.500 2.979 1.899 4.536 . 0 0 "[ . 1 . 2]" 1
229 1 31 LYS HA 1 31 LYS HD3 . . 5.500 3.769 2.799 4.572 . 0 0 "[ . 1 . 2]" 1
230 1 31 LYS HA 1 32 PHE H . . 3.300 2.147 2.033 2.349 . 0 0 "[ . 1 . 2]" 1
231 1 31 LYS HA 1 32 PHE QB . . 6.220 4.041 3.815 4.211 . 0 0 "[ . 1 . 2]" 1
232 1 31 LYS HA 1 80 ALA MB . . 6.020 4.436 3.808 4.853 . 0 0 "[ . 1 . 2]" 1
233 1 31 LYS HA 1 81 ALA H . . 4.690 4.690 4.279 4.848 0.158 9 0 "[ . 1 . 2]" 1
234 1 31 LYS HA 1 81 ALA HA . . 3.360 2.361 1.942 2.566 . 0 0 "[ . 1 . 2]" 1
235 1 31 LYS HA 1 81 ALA MB . . 5.590 3.463 3.124 3.892 . 0 0 "[ . 1 . 2]" 1
236 1 31 LYS HA 1 82 PHE H . . 4.260 3.564 2.912 4.059 . 0 0 "[ . 1 . 2]" 1
237 1 31 LYS HA 1 82 PHE QD . . 7.630 4.442 3.573 5.161 . 0 0 "[ . 1 . 2]" 1
238 1 31 LYS QB 1 81 ALA HA . . 6.380 4.006 2.919 4.571 . 0 0 "[ . 1 . 2]" 1
239 1 31 LYS QB 1 81 ALA MB . . 7.400 3.901 2.505 4.534 . 0 0 "[ . 1 . 2]" 1
240 1 31 LYS HB2 1 32 PHE H . . 4.380 4.065 2.406 4.452 0.072 11 0 "[ . 1 . 2]" 1
241 1 31 LYS HB3 1 32 PHE H . . 4.380 3.432 2.613 4.272 . 0 0 "[ . 1 . 2]" 1
242 1 31 LYS QD 1 81 ALA HA . . 6.380 3.186 1.976 4.745 . 0 0 "[ . 1 . 2]" 1
243 1 31 LYS QD 1 82 PHE H . . 6.070 4.550 3.286 5.753 . 0 0 "[ . 1 . 2]" 1
244 1 31 LYS HD2 1 32 PHE H . . 5.500 4.542 3.597 5.729 0.229 19 0 "[ . 1 . 2]" 1
245 1 31 LYS HD3 1 32 PHE H . . 5.500 5.355 4.884 5.731 0.231 1 0 "[ . 1 . 2]" 1
246 1 31 LYS QE 1 81 ALA HA . . 6.380 4.786 3.394 6.711 0.331 12 0 "[ . 1 . 2]" 1
247 1 31 LYS QE 1 81 ALA MB . . 7.400 3.742 2.191 6.186 . 0 0 "[ . 1 . 2]" 1
248 1 31 LYS QG 1 32 PHE H . . 4.940 4.280 3.339 4.725 . 0 0 "[ . 1 . 2]" 1
249 1 31 LYS QG 1 81 ALA MB . . 7.400 3.206 2.091 4.604 . 0 0 "[ . 1 . 2]" 1
250 1 31 LYS HG2 1 32 PHE H . . 5.500 4.768 3.724 5.584 0.084 1 0 "[ . 1 . 2]" 1
251 1 31 LYS HG2 1 81 ALA HA . . 5.500 4.086 2.200 5.552 0.052 12 0 "[ . 1 . 2]" 1
252 1 31 LYS HG3 1 32 PHE H . . 5.500 5.054 3.451 5.572 0.072 7 0 "[ . 1 . 2]" 1
253 1 31 LYS HG3 1 81 ALA HA . . 5.500 4.447 1.856 5.565 0.065 12 0 "[ . 1 . 2]" 1
254 1 32 PHE H 1 32 PHE HB2 . . 4.110 3.123 2.912 3.425 . 0 0 "[ . 1 . 2]" 1
255 1 32 PHE H 1 32 PHE HB3 . . 4.110 2.715 2.486 3.020 . 0 0 "[ . 1 . 2]" 1
256 1 32 PHE H 1 33 SER H . . 5.250 4.194 3.970 4.353 . 0 0 "[ . 1 . 2]" 1
257 1 32 PHE H 1 33 SER HA . . 5.500 4.820 4.597 5.095 . 0 0 "[ . 1 . 2]" 1
258 1 32 PHE H 1 80 ALA H . . 4.200 2.940 2.726 3.168 . 0 0 "[ . 1 . 2]" 1
259 1 32 PHE H 1 81 ALA H . . 5.130 4.890 4.742 5.165 0.035 6 0 "[ . 1 . 2]" 1
260 1 32 PHE H 1 81 ALA HA . . 4.480 3.643 3.391 4.107 . 0 0 "[ . 1 . 2]" 1
261 1 32 PHE H 1 81 ALA MB . . 5.120 4.541 4.216 4.924 . 0 0 "[ . 1 . 2]" 1
262 1 32 PHE H 1 82 PHE QD . . 7.630 4.414 3.697 5.496 . 0 0 "[ . 1 . 2]" 1
263 1 32 PHE HA 1 33 SER H . . 3.110 2.138 2.110 2.157 . 0 0 "[ . 1 . 2]" 1
264 1 32 PHE HA 1 33 SER QB . . 6.380 4.512 4.021 4.662 . 0 0 "[ . 1 . 2]" 1
265 1 32 PHE QB 1 80 ALA MB . . 5.360 2.620 1.983 3.539 . 0 0 "[ . 1 . 2]" 1
266 1 32 PHE QB 1 82 PHE QD . . 7.450 3.941 2.662 5.203 . 0 0 "[ . 1 . 2]" 1
267 1 32 PHE QB 1 97 LEU QD . . 7.400 3.431 2.400 5.131 . 0 0 "[ . 1 . 2]" 1
268 1 32 PHE HB2 1 33 SER H . . 4.760 4.332 4.247 4.386 . 0 0 "[ . 1 . 2]" 1
269 1 32 PHE HB2 1 49 LEU QD . . 6.520 4.677 3.472 6.122 . 0 0 "[ . 1 . 2]" 1
270 1 32 PHE HB2 1 80 ALA H . . 5.500 4.949 4.602 5.408 . 0 0 "[ . 1 . 2]" 1
271 1 32 PHE HB2 1 80 ALA MB . . 5.530 4.046 3.433 5.016 . 0 0 "[ . 1 . 2]" 1
272 1 32 PHE HB2 1 82 PHE QD . . 7.630 4.534 3.036 6.098 . 0 0 "[ . 1 . 2]" 1
273 1 32 PHE HB3 1 33 SER H . . 4.760 4.275 4.170 4.347 . 0 0 "[ . 1 . 2]" 1
274 1 32 PHE HB3 1 49 LEU QD . . 6.520 4.402 3.266 5.680 . 0 0 "[ . 1 . 2]" 1
275 1 32 PHE HB3 1 80 ALA H . . 5.500 3.494 3.091 4.150 . 0 0 "[ . 1 . 2]" 1
276 1 32 PHE HB3 1 80 ALA MB . . 5.530 2.656 1.994 3.617 . 0 0 "[ . 1 . 2]" 1
277 1 32 PHE HB3 1 82 PHE QD . . 7.630 4.345 2.944 5.644 . 0 0 "[ . 1 . 2]" 1
278 1 32 PHE QD 1 33 SER H . . 7.630 3.642 3.213 3.807 . 0 0 "[ . 1 . 2]" 1
279 1 32 PHE QD 1 33 SER HA . . 7.630 4.215 3.664 4.856 . 0 0 "[ . 1 . 2]" 1
280 1 32 PHE QD 1 34 ARG H . . 7.630 4.369 3.806 5.314 . 0 0 "[ . 1 . 2]" 1
281 1 32 PHE QD 1 34 ARG HB2 . . 7.630 4.083 3.378 4.786 . 0 0 "[ . 1 . 2]" 1
282 1 32 PHE QD 1 34 ARG HB3 . . 7.630 4.790 3.787 5.958 . 0 0 "[ . 1 . 2]" 1
283 1 32 PHE QD 1 49 LEU QD . . 7.000 4.003 2.852 4.987 . 0 0 "[ . 1 . 2]" 1
284 1 32 PHE QD 1 78 LEU MD1 . . 7.810 2.970 2.087 3.943 . 0 0 "[ . 1 . 2]" 1
285 1 32 PHE QD 1 97 LEU QD . . 7.900 3.419 2.320 5.328 . 0 0 "[ . 1 . 2]" 1
286 1 32 PHE QE 1 33 SER H . . 7.630 4.712 4.530 4.867 . 0 0 "[ . 1 . 2]" 1
287 1 32 PHE QE 1 34 ARG H . . 7.630 4.479 3.774 5.636 . 0 0 "[ . 1 . 2]" 1
288 1 32 PHE QE 1 34 ARG HA . . 7.630 4.958 4.597 5.275 . 0 0 "[ . 1 . 2]" 1
289 1 32 PHE HZ 1 34 ARG HA . . 5.500 5.312 4.848 5.573 0.073 14 0 "[ . 1 . 2]" 1
290 1 32 PHE HZ 1 34 ARG HB2 . . 5.280 3.466 2.475 5.207 . 0 0 "[ . 1 . 2]" 1
291 1 32 PHE HZ 1 34 ARG QB . . 5.090 3.275 2.434 4.673 . 0 0 "[ . 1 . 2]" 1
292 1 32 PHE HZ 1 34 ARG HB3 . . 5.280 4.219 2.789 5.336 0.056 19 0 "[ . 1 . 2]" 1
293 1 32 PHE HZ 1 34 ARG HD2 . . 5.500 3.398 2.025 5.266 . 0 0 "[ . 1 . 2]" 1
294 1 32 PHE HZ 1 34 ARG QD . . 5.370 3.141 2.012 4.790 . 0 0 "[ . 1 . 2]" 1
295 1 32 PHE HZ 1 34 ARG HD3 . . 5.500 4.152 2.428 5.529 0.029 18 0 "[ . 1 . 2]" 1
296 1 32 PHE HZ 1 49 LEU QD . . 6.520 5.145 3.595 6.230 . 0 0 "[ . 1 . 2]" 1
297 1 32 PHE HZ 1 78 LEU MD1 . . 6.520 5.645 4.355 6.701 0.181 19 0 "[ . 1 . 2]" 1
298 1 33 SER H 1 34 ARG H . . 5.500 4.212 3.977 4.421 . 0 0 "[ . 1 . 2]" 1
299 1 33 SER H 1 97 LEU QD . . 6.520 6.448 5.270 8.552 2.032 7 3 "[ .*+ 1 - . 2]" 1
300 1 33 SER HA 1 34 ARG H . . 3.110 2.149 2.111 2.179 . 0 0 "[ . 1 . 2]" 1
301 1 33 SER HA 1 34 ARG HB2 . . 5.500 4.433 4.205 4.756 . 0 0 "[ . 1 . 2]" 1
302 1 33 SER HA 1 34 ARG HB3 . . 5.500 5.022 4.452 5.605 0.105 3 0 "[ . 1 . 2]" 1
303 1 33 SER HA 1 78 LEU H . . 5.500 4.572 4.138 4.781 . 0 0 "[ . 1 . 2]" 1
304 1 33 SER HA 1 78 LEU QB . . 6.380 4.352 4.059 4.626 . 0 0 "[ . 1 . 2]" 1
305 1 33 SER HA 1 79 ASP HA . . 3.580 2.328 2.142 2.625 . 0 0 "[ . 1 . 2]" 1
306 1 33 SER HA 1 80 ALA H . . 4.320 3.518 3.233 3.898 . 0 0 "[ . 1 . 2]" 1
307 1 33 SER HA 1 80 ALA MB . . 6.520 4.950 4.474 5.385 . 0 0 "[ . 1 . 2]" 1
308 1 33 SER QB 1 34 ARG H . . 4.380 3.359 2.942 3.855 . 0 0 "[ . 1 . 2]" 1
309 1 33 SER QB 1 77 GLU QG . . 6.320 3.388 2.052 5.001 . 0 0 "[ . 1 . 2]" 1
310 1 33 SER QB 1 80 ALA H . . 6.380 4.661 3.492 5.449 . 0 0 "[ . 1 . 2]" 1
311 1 33 SER HB2 1 34 ARG H . . 4.630 3.974 3.043 4.495 . 0 0 "[ . 1 . 2]" 1
312 1 33 SER HB2 1 77 GLU HG2 . . 7.260 5.286 2.344 7.323 0.063 6 0 "[ . 1 . 2]" 1
313 1 33 SER HB2 1 77 GLU HG3 . . 7.260 4.840 2.306 6.825 . 0 0 "[ . 1 . 2]" 1
314 1 33 SER HB2 1 79 ASP HA . . 5.500 4.435 3.057 4.978 . 0 0 "[ . 1 . 2]" 1
315 1 33 SER HB3 1 34 ARG H . . 4.630 3.754 3.222 4.250 . 0 0 "[ . 1 . 2]" 1
316 1 33 SER HB3 1 77 GLU HG2 . . 7.260 4.423 2.962 7.336 0.076 10 0 "[ . 1 . 2]" 1
317 1 33 SER HB3 1 77 GLU HG3 . . 7.260 4.151 2.994 7.375 0.115 1 0 "[ . 1 . 2]" 1
318 1 33 SER HB3 1 79 ASP HA . . 5.500 3.484 2.278 4.803 . 0 0 "[ . 1 . 2]" 1
319 1 34 ARG H 1 34 ARG QB . . 3.890 2.592 2.492 2.728 . 0 0 "[ . 1 . 2]" 1
320 1 34 ARG H 1 34 ARG HG2 . . 5.190 4.292 3.436 4.923 . 0 0 "[ . 1 . 2]" 1
321 1 34 ARG H 1 34 ARG QG . . 5.000 3.956 3.330 4.279 . 0 0 "[ . 1 . 2]" 1
322 1 34 ARG H 1 34 ARG HG3 . . 5.190 4.711 4.394 5.025 . 0 0 "[ . 1 . 2]" 1
323 1 34 ARG H 1 35 PHE H . . 5.500 4.377 4.314 4.469 . 0 0 "[ . 1 . 2]" 1
324 1 34 ARG H 1 35 PHE HA . . 5.500 4.756 4.587 4.978 . 0 0 "[ . 1 . 2]" 1
325 1 34 ARG H 1 36 PHE QE . . 7.630 4.037 3.417 4.757 . 0 0 "[ . 1 . 2]" 1
326 1 34 ARG H 1 78 LEU H . . 4.010 3.135 2.889 3.349 . 0 0 "[ . 1 . 2]" 1
327 1 34 ARG H 1 78 LEU HA . . 5.500 4.750 4.554 4.923 . 0 0 "[ . 1 . 2]" 1
328 1 34 ARG H 1 78 LEU QB . . 5.260 3.027 2.746 3.186 . 0 0 "[ . 1 . 2]" 1
329 1 34 ARG H 1 78 LEU HG . . 5.500 5.472 5.227 5.558 0.058 17 0 "[ . 1 . 2]" 1
330 1 34 ARG H 1 79 ASP HA . . 4.630 3.819 3.505 4.254 . 0 0 "[ . 1 . 2]" 1
331 1 34 ARG H 1 80 ALA H . . 5.500 5.045 4.555 5.490 . 0 0 "[ . 1 . 2]" 1
332 1 34 ARG HA 1 34 ARG HD2 . . 5.500 3.918 2.071 4.669 . 0 0 "[ . 1 . 2]" 1
333 1 34 ARG HA 1 34 ARG HD3 . . 5.500 3.707 1.854 4.924 . 0 0 "[ . 1 . 2]" 1
334 1 34 ARG HA 1 35 PHE H . . 3.110 2.238 2.147 2.314 . 0 0 "[ . 1 . 2]" 1
335 1 34 ARG HA 1 35 PHE QB . . 6.380 4.463 4.366 4.661 . 0 0 "[ . 1 . 2]" 1
336 1 34 ARG QB 1 35 PHE H . . 3.770 3.303 2.677 3.590 . 0 0 "[ . 1 . 2]" 1
337 1 34 ARG QB 1 36 PHE HZ . . 4.440 3.057 2.690 3.437 . 0 0 "[ . 1 . 2]" 1
338 1 34 ARG HB2 1 35 PHE H . . 4.140 4.110 3.937 4.296 0.156 11 0 "[ . 1 . 2]" 1
339 1 34 ARG HB2 1 36 PHE HZ . . 4.720 4.122 3.118 4.737 0.017 8 0 "[ . 1 . 2]" 1
340 1 34 ARG HB3 1 35 PHE H . . 4.140 3.543 2.719 4.046 . 0 0 "[ . 1 . 2]" 1
341 1 34 ARG HB3 1 36 PHE HZ . . 4.720 3.174 2.749 3.528 . 0 0 "[ . 1 . 2]" 1
342 1 34 ARG QD 1 36 PHE HZ . . 5.050 3.223 2.171 4.806 . 0 0 "[ . 1 . 2]" 1
343 1 34 ARG QD 1 45 PHE QD . . 7.450 5.201 4.050 6.762 . 0 0 "[ . 1 . 2]" 1
344 1 34 ARG HD2 1 35 PHE H . . 5.500 4.332 1.894 5.232 . 0 0 "[ . 1 . 2]" 1
345 1 34 ARG HD2 1 36 PHE HZ . . 5.500 4.099 2.460 5.566 0.066 20 0 "[ . 1 . 2]" 1
346 1 34 ARG HD2 1 45 PHE QD . . 7.630 5.978 4.803 7.707 0.077 20 0 "[ . 1 . 2]" 1
347 1 34 ARG HD3 1 35 PHE H . . 5.500 3.794 1.836 5.120 . 0 0 "[ . 1 . 2]" 1
348 1 34 ARG HD3 1 36 PHE HZ . . 5.500 3.842 2.190 5.532 0.032 14 0 "[ . 1 . 2]" 1
349 1 34 ARG HD3 1 45 PHE QD . . 7.630 5.951 4.189 7.517 . 0 0 "[ . 1 . 2]" 1
350 1 34 ARG QG 1 35 PHE H . . 4.490 3.067 2.097 4.301 . 0 0 "[ . 1 . 2]" 1
351 1 34 ARG QG 1 36 PHE HZ . . 4.360 3.715 2.768 4.657 0.297 8 0 "[ . 1 . 2]" 1
352 1 34 ARG QG 1 45 PHE QE . . 8.510 4.814 2.711 6.972 . 0 0 "[ . 1 . 2]" 1
353 1 35 PHE H 1 35 PHE HB2 . . 3.790 2.537 2.441 2.735 . 0 0 "[ . 1 . 2]" 1
354 1 35 PHE H 1 35 PHE HB3 . . 3.790 3.667 3.608 3.757 . 0 0 "[ . 1 . 2]" 1
355 1 35 PHE H 1 36 PHE H . . 5.380 4.482 4.364 4.563 . 0 0 "[ . 1 . 2]" 1
356 1 35 PHE H 1 77 GLU HA . . 5.500 4.800 4.550 5.351 . 0 0 "[ . 1 . 2]" 1
357 1 35 PHE HA 1 36 PHE H . . 2.960 2.166 2.133 2.223 . 0 0 "[ . 1 . 2]" 1
358 1 35 PHE HA 1 76 VAL H . . 5.100 4.180 3.906 4.455 . 0 0 "[ . 1 . 2]" 1
359 1 35 PHE HA 1 76 VAL MG2 . . 6.520 3.927 3.747 4.133 . 0 0 "[ . 1 . 2]" 1
360 1 35 PHE HA 1 77 GLU H . . 5.500 4.813 4.636 5.151 . 0 0 "[ . 1 . 2]" 1
361 1 35 PHE HA 1 77 GLU HA . . 5.500 2.448 2.100 2.953 . 0 0 "[ . 1 . 2]" 1
362 1 35 PHE HA 1 78 LEU H . . 4.290 3.204 2.911 3.647 . 0 0 "[ . 1 . 2]" 1
363 1 35 PHE QB 1 36 PHE H . . 3.770 3.044 2.834 3.356 . 0 0 "[ . 1 . 2]" 1
364 1 35 PHE QB 1 75 GLN QB . . 6.320 3.030 2.641 3.334 . 0 0 "[ . 1 . 2]" 1
365 1 35 PHE QB 1 76 VAL H . . 6.380 3.957 3.651 4.247 . 0 0 "[ . 1 . 2]" 1
366 1 35 PHE HB2 1 36 PHE H . . 4.070 4.077 4.008 4.125 0.055 11 0 "[ . 1 . 2]" 1
367 1 35 PHE HB2 1 75 GLN HB2 . . 7.260 4.679 4.125 5.065 . 0 0 "[ . 1 . 2]" 1
368 1 35 PHE HB2 1 75 GLN HB3 . . 7.260 5.754 5.027 6.229 . 0 0 "[ . 1 . 2]" 1
369 1 35 PHE HB2 1 77 GLU HA . . 5.500 5.190 4.936 5.528 0.028 1 0 "[ . 1 . 2]" 1
370 1 35 PHE HB3 1 36 PHE H . . 4.070 3.145 2.898 3.562 . 0 0 "[ . 1 . 2]" 1
371 1 35 PHE HB3 1 75 GLN HB2 . . 7.260 3.143 2.719 3.470 . 0 0 "[ . 1 . 2]" 1
372 1 35 PHE HB3 1 75 GLN HB3 . . 7.260 4.454 3.954 4.843 . 0 0 "[ . 1 . 2]" 1
373 1 35 PHE HB3 1 77 GLU HA . . 5.500 4.303 3.969 4.597 . 0 0 "[ . 1 . 2]" 1
374 1 35 PHE QD 1 36 PHE H . . 7.630 4.040 3.763 4.626 . 0 0 "[ . 1 . 2]" 1
375 1 35 PHE QD 1 72 LEU MD1 . . 8.550 2.854 2.126 3.830 . 0 0 "[ . 1 . 2]" 1
376 1 35 PHE QD 1 72 LEU MD2 . . 8.650 5.325 4.445 6.251 . 0 0 "[ . 1 . 2]" 1
377 1 35 PHE QD 1 76 VAL H . . 7.630 4.476 3.935 5.221 . 0 0 "[ . 1 . 2]" 1
378 1 35 PHE QD 1 77 GLU HB2 . . 7.630 3.069 2.418 4.572 . 0 0 "[ . 1 . 2]" 1
379 1 35 PHE QD 1 77 GLU HB3 . . 7.630 4.156 2.516 5.129 . 0 0 "[ . 1 . 2]" 1
380 1 35 PHE QE 1 36 PHE H . . 7.630 6.174 5.922 6.666 . 0 0 "[ . 1 . 2]" 1
381 1 35 PHE QE 1 72 LEU MD2 . . 8.650 4.787 4.040 6.378 . 0 0 "[ . 1 . 2]" 1
382 1 35 PHE HZ 1 72 LEU MD1 . . 5.310 4.779 3.809 6.131 0.821 1 2 "[+ . - 1 . 2]" 1
383 1 36 PHE H 1 37 ALA H . . 5.340 4.450 4.379 4.536 . 0 0 "[ . 1 . 2]" 1
384 1 36 PHE H 1 37 ALA HA . . 5.500 5.135 4.968 5.343 . 0 0 "[ . 1 . 2]" 1
385 1 36 PHE H 1 42 ALA MB . . 5.990 4.505 4.085 4.836 . 0 0 "[ . 1 . 2]" 1
386 1 36 PHE H 1 75 GLN HA . . 5.500 4.870 4.526 5.106 . 0 0 "[ . 1 . 2]" 1
387 1 36 PHE H 1 75 GLN HB2 . . 5.380 3.655 3.345 3.946 . 0 0 "[ . 1 . 2]" 1
388 1 36 PHE H 1 75 GLN QB . . 4.830 3.591 3.292 3.852 . 0 0 "[ . 1 . 2]" 1
389 1 36 PHE H 1 75 GLN HB3 . . 5.380 5.265 4.908 5.420 0.040 5 0 "[ . 1 . 2]" 1
390 1 36 PHE H 1 76 VAL H . . 3.670 2.710 2.536 2.838 . 0 0 "[ . 1 . 2]" 1
391 1 36 PHE H 1 76 VAL HA . . 5.500 4.693 4.611 4.854 . 0 0 "[ . 1 . 2]" 1
392 1 36 PHE H 1 76 VAL HB . . 4.720 4.738 4.627 4.800 0.080 9 0 "[ . 1 . 2]" 1
393 1 36 PHE H 1 76 VAL MG1 . . 6.180 4.769 4.682 4.866 . 0 0 "[ . 1 . 2]" 1
394 1 36 PHE H 1 76 VAL MG2 . . 4.010 2.596 2.496 2.698 . 0 0 "[ . 1 . 2]" 1
395 1 36 PHE HA 1 37 ALA H . . 2.990 2.440 2.332 2.668 . 0 0 "[ . 1 . 2]" 1
396 1 36 PHE HA 1 37 ALA MB . . 6.520 4.135 4.068 4.240 . 0 0 "[ . 1 . 2]" 1
397 1 36 PHE HA 1 41 GLU HB2 . . 5.500 4.474 4.087 4.755 . 0 0 "[ . 1 . 2]" 1
398 1 36 PHE HA 1 41 GLU HB3 . . 5.500 4.483 4.116 4.923 . 0 0 "[ . 1 . 2]" 1
399 1 36 PHE QB 1 37 ALA H . . 3.820 2.327 1.996 2.582 . 0 0 "[ . 1 . 2]" 1
400 1 36 PHE QB 1 37 ALA MB . . 7.400 3.782 3.636 3.934 . 0 0 "[ . 1 . 2]" 1
401 1 36 PHE QB 1 41 GLU H . . 6.380 4.178 3.920 4.429 . 0 0 "[ . 1 . 2]" 1
402 1 36 PHE QB 1 41 GLU QB . . 5.460 1.892 1.584 2.146 . 0 0 "[ . 1 . 2]" 1
403 1 36 PHE QB 1 41 GLU QG . . 6.320 3.121 2.871 3.487 . 0 0 "[ . 1 . 2]" 1
404 1 36 PHE QB 1 42 ALA H . . 5.230 3.483 3.253 3.753 . 0 0 "[ . 1 . 2]" 1
405 1 36 PHE QB 1 42 ALA MB . . 5.720 2.861 2.521 3.324 . 0 0 "[ . 1 . 2]" 1
406 1 36 PHE QB 1 76 VAL H . . 6.380 3.839 3.652 4.078 . 0 0 "[ . 1 . 2]" 1
407 1 36 PHE QB 1 76 VAL MG2 . . 5.480 2.167 1.948 2.411 . 0 0 "[ . 1 . 2]" 1
408 1 36 PHE HB2 1 37 ALA H . . 4.110 3.599 3.154 3.894 . 0 0 "[ . 1 . 2]" 1
409 1 36 PHE HB2 1 41 GLU HB2 . . 6.980 3.015 2.672 3.428 . 0 0 "[ . 1 . 2]" 1
410 1 36 PHE HB2 1 41 GLU HB3 . . 6.980 3.809 3.285 4.188 . 0 0 "[ . 1 . 2]" 1
411 1 36 PHE HB2 1 41 GLU HG2 . . 7.260 5.374 4.836 5.874 . 0 0 "[ . 1 . 2]" 1
412 1 36 PHE HB2 1 41 GLU HG3 . . 7.260 4.822 4.225 5.271 . 0 0 "[ . 1 . 2]" 1
413 1 36 PHE HB2 1 42 ALA MB . . 5.870 2.925 2.557 3.406 . 0 0 "[ . 1 . 2]" 1
414 1 36 PHE HB2 1 76 VAL MG2 . . 5.840 2.195 1.967 2.449 . 0 0 "[ . 1 . 2]" 1
415 1 36 PHE HB3 1 37 ALA H . . 4.110 2.357 2.018 2.620 . 0 0 "[ . 1 . 2]" 1
416 1 36 PHE HB3 1 41 GLU HB2 . . 6.980 2.042 1.618 2.335 . 0 0 "[ . 1 . 2]" 1
417 1 36 PHE HB3 1 41 GLU HB3 . . 6.980 2.402 2.020 2.739 . 0 0 "[ . 1 . 2]" 1
418 1 36 PHE HB3 1 41 GLU HG2 . . 7.260 4.198 3.695 4.613 . 0 0 "[ . 1 . 2]" 1
419 1 36 PHE HB3 1 41 GLU HG3 . . 7.260 3.303 2.989 3.713 . 0 0 "[ . 1 . 2]" 1
420 1 36 PHE HB3 1 42 ALA MB . . 5.870 4.070 3.607 4.638 . 0 0 "[ . 1 . 2]" 1
421 1 36 PHE HB3 1 76 VAL MG2 . . 5.840 3.348 3.071 3.594 . 0 0 "[ . 1 . 2]" 1
422 1 36 PHE QD 1 41 GLU HA . . 7.630 4.911 4.277 5.357 . 0 0 "[ . 1 . 2]" 1
423 1 36 PHE QD 1 41 GLU QB . . 8.510 2.689 2.038 3.190 . 0 0 "[ . 1 . 2]" 1
424 1 36 PHE QD 1 41 GLU QG . . 8.510 4.099 3.523 4.531 . 0 0 "[ . 1 . 2]" 1
425 1 36 PHE QD 1 42 ALA HA . . 7.320 3.018 2.439 3.435 . 0 0 "[ . 1 . 2]" 1
426 1 36 PHE QD 1 42 ALA MB . . 7.560 2.824 2.428 3.403 . 0 0 "[ . 1 . 2]" 1
427 1 36 PHE QD 1 69 ILE MD . . 8.650 6.423 5.729 7.543 . 0 0 "[ . 1 . 2]" 1
428 1 36 PHE QD 1 76 VAL HB . . 7.630 5.298 5.012 5.653 . 0 0 "[ . 1 . 2]" 1
429 1 36 PHE QD 1 76 VAL MG2 . . 8.210 3.021 2.776 3.243 . 0 0 "[ . 1 . 2]" 1
430 1 36 PHE QD 1 78 LEU H . . 7.040 3.230 2.836 3.894 . 0 0 "[ . 1 . 2]" 1
431 1 36 PHE QD 1 78 LEU HB2 . . 7.630 2.409 2.004 2.983 . 0 0 "[ . 1 . 2]" 1
432 1 36 PHE QD 1 78 LEU HB3 . . 7.630 2.987 2.464 3.604 . 0 0 "[ . 1 . 2]" 1
433 1 36 PHE QD 1 78 LEU MD2 . . 8.650 4.435 4.048 4.876 . 0 0 "[ . 1 . 2]" 1
434 1 36 PHE QE 1 42 ALA MB . . 8.650 3.960 3.557 4.466 . 0 0 "[ . 1 . 2]" 1
435 1 36 PHE QE 1 78 LEU H . . 7.630 3.930 3.372 4.745 . 0 0 "[ . 1 . 2]" 1
436 1 36 PHE QE 1 78 LEU HB2 . . 7.630 2.859 2.344 3.540 . 0 0 "[ . 1 . 2]" 1
437 1 36 PHE QE 1 78 LEU QB . . 7.240 2.058 1.708 2.968 . 0 0 "[ . 1 . 2]" 1
438 1 36 PHE QE 1 78 LEU HB3 . . 7.630 2.120 1.736 3.186 . 0 0 "[ . 1 . 2]" 1
439 1 36 PHE HZ 1 78 LEU QB . . 6.380 4.210 3.793 5.119 . 0 0 "[ . 1 . 2]" 1
440 1 36 PHE HZ 1 78 LEU MD1 . . 6.520 4.356 3.950 5.494 . 0 0 "[ . 1 . 2]" 1
441 1 36 PHE HZ 1 78 LEU MD2 . . 6.520 6.007 5.589 6.807 0.287 10 0 "[ . 1 . 2]" 1
442 1 37 ALA H 1 37 ALA MB . . 3.420 2.238 2.222 2.270 . 0 0 "[ . 1 . 2]" 1
443 1 37 ALA H 1 38 THR H . . 3.830 2.769 2.467 2.955 . 0 0 "[ . 1 . 2]" 1
444 1 37 ALA H 1 41 GLU QB . . 5.110 3.112 2.836 3.381 . 0 0 "[ . 1 . 2]" 1
445 1 37 ALA H 1 41 GLU QG . . 6.380 2.878 2.363 3.318 . 0 0 "[ . 1 . 2]" 1
446 1 37 ALA H 1 42 ALA MB . . 6.520 5.889 5.534 6.279 . 0 0 "[ . 1 . 2]" 1
447 1 37 ALA H 1 75 GLN HA . . 5.280 5.067 4.652 5.362 0.082 17 0 "[ . 1 . 2]" 1
448 1 37 ALA H 1 76 VAL MG1 . . 6.520 5.836 5.366 6.180 . 0 0 "[ . 1 . 2]" 1
449 1 37 ALA H 1 76 VAL MG2 . . 5.530 4.189 3.741 4.641 . 0 0 "[ . 1 . 2]" 1
450 1 37 ALA HA 1 75 GLN QB . . 6.380 3.398 3.107 3.721 . 0 0 "[ . 1 . 2]" 1
451 1 37 ALA HA 1 76 VAL H . . 4.570 4.172 3.725 4.579 0.009 15 0 "[ . 1 . 2]" 1
452 1 37 ALA MB 1 38 THR HB . . 6.520 4.759 4.220 5.035 . 0 0 "[ . 1 . 2]" 1
453 1 37 ALA MB 1 38 THR MG . . 7.540 3.011 2.533 4.457 . 0 0 "[ . 1 . 2]" 1
454 1 37 ALA MB 1 41 GLU H . . 6.520 4.848 4.514 5.348 . 0 0 "[ . 1 . 2]" 1
455 1 37 ALA MB 1 41 GLU HB2 . . 6.520 3.836 3.571 4.292 . 0 0 "[ . 1 . 2]" 1
456 1 37 ALA MB 1 41 GLU HB3 . . 6.520 4.259 3.902 4.867 . 0 0 "[ . 1 . 2]" 1
457 1 37 ALA MB 1 41 GLU HG2 . . 6.520 3.387 2.765 4.194 . 0 0 "[ . 1 . 2]" 1
458 1 37 ALA MB 1 41 GLU HG3 . . 6.520 2.314 1.808 3.061 . 0 0 "[ . 1 . 2]" 1
459 1 37 ALA MB 1 75 GLN HA . . 6.210 4.340 3.943 4.674 . 0 0 "[ . 1 . 2]" 1
460 1 38 THR H 1 39 ARG H . . 5.310 4.457 4.416 4.519 . 0 0 "[ . 1 . 2]" 1
461 1 38 THR H 1 40 GLU H . . 5.500 4.710 4.466 5.001 . 0 0 "[ . 1 . 2]" 1
462 1 38 THR H 1 41 GLU H . . 4.480 3.378 3.144 3.635 . 0 0 "[ . 1 . 2]" 1
463 1 38 THR H 1 41 GLU HB2 . . 3.700 2.423 2.299 2.580 . 0 0 "[ . 1 . 2]" 1
464 1 38 THR H 1 41 GLU HB3 . . 3.700 3.758 3.708 3.829 0.129 15 0 "[ . 1 . 2]" 1
465 1 38 THR H 1 41 GLU HG2 . . 4.880 2.711 2.229 3.401 . 0 0 "[ . 1 . 2]" 1
466 1 38 THR H 1 41 GLU QG . . 4.640 2.246 1.787 2.610 . 0 0 "[ . 1 . 2]" 1
467 1 38 THR H 1 41 GLU HG3 . . 4.880 2.421 1.874 2.712 . 0 0 "[ . 1 . 2]" 1
468 1 38 THR H 1 76 VAL MG2 . . 6.520 3.502 3.255 3.688 . 0 0 "[ . 1 . 2]" 1
469 1 38 THR HA 1 39 ARG H . . 3.020 2.393 2.297 2.472 . 0 0 "[ . 1 . 2]" 1
470 1 38 THR HA 1 40 GLU H . . 4.260 4.082 3.901 4.276 0.016 15 0 "[ . 1 . 2]" 1
471 1 38 THR HA 1 41 GLU HG2 . . 5.340 4.880 4.494 5.366 0.026 1 0 "[ . 1 . 2]" 1
472 1 38 THR HA 1 41 GLU QG . . 4.950 4.478 4.192 4.778 . 0 0 "[ . 1 . 2]" 1
473 1 38 THR HA 1 41 GLU HG3 . . 5.340 5.234 4.814 5.402 0.062 7 0 "[ . 1 . 2]" 1
474 1 38 THR HA 1 76 VAL MG1 . . 6.520 2.878 2.213 3.565 . 0 0 "[ . 1 . 2]" 1
475 1 38 THR HA 1 76 VAL MG2 . . 6.360 3.361 2.962 3.714 . 0 0 "[ . 1 . 2]" 1
476 1 38 THR HB 1 39 ARG H . . 3.360 2.553 2.226 3.338 . 0 0 "[ . 1 . 2]" 1
477 1 38 THR HB 1 39 ARG HB2 . . 5.500 5.322 4.654 5.599 0.099 8 0 "[ . 1 . 2]" 1
478 1 38 THR HB 1 39 ARG HB3 . . 5.500 4.478 4.031 5.126 . 0 0 "[ . 1 . 2]" 1
479 1 38 THR HB 1 40 GLU H . . 3.450 2.463 2.287 2.605 . 0 0 "[ . 1 . 2]" 1
480 1 38 THR HB 1 40 GLU HB2 . . 5.500 3.207 2.592 3.694 . 0 0 "[ . 1 . 2]" 1
481 1 38 THR HB 1 40 GLU HB3 . . 5.500 4.828 4.306 5.173 . 0 0 "[ . 1 . 2]" 1
482 1 38 THR HB 1 40 GLU QG . . 6.380 3.096 2.763 3.748 . 0 0 "[ . 1 . 2]" 1
483 1 38 THR HB 1 41 GLU H . . 4.880 3.455 2.233 3.959 . 0 0 "[ . 1 . 2]" 1
484 1 38 THR HB 1 41 GLU HG2 . . 5.500 3.983 2.389 4.674 . 0 0 "[ . 1 . 2]" 1
485 1 38 THR HB 1 41 GLU HG3 . . 5.500 5.113 3.652 5.537 0.037 9 0 "[ . 1 . 2]" 1
486 1 38 THR HB 1 76 VAL MG1 . . 6.520 4.477 3.866 5.214 . 0 0 "[ . 1 . 2]" 1
487 1 38 THR MG 1 39 ARG H . . 4.130 3.321 1.835 3.743 . 0 0 "[ . 1 . 2]" 1
488 1 38 THR MG 1 40 GLU H . . 4.500 3.843 2.544 4.163 . 0 0 "[ . 1 . 2]" 1
489 1 38 THR MG 1 40 GLU QG . . 7.400 3.915 2.917 4.462 . 0 0 "[ . 1 . 2]" 1
490 1 38 THR MG 1 41 GLU H . . 6.520 4.272 3.773 4.630 . 0 0 "[ . 1 . 2]" 1
491 1 38 THR MG 1 41 GLU HG2 . . 6.520 3.869 3.381 4.396 . 0 0 "[ . 1 . 2]" 1
492 1 38 THR MG 1 41 GLU HG3 . . 6.520 4.306 3.786 5.434 . 0 0 "[ . 1 . 2]" 1
493 1 38 THR MG 1 75 GLN HA . . 6.520 4.929 3.980 5.493 . 0 0 "[ . 1 . 2]" 1
494 1 39 ARG H 1 39 ARG HB2 . . 3.580 3.022 2.461 3.596 0.016 20 0 "[ . 1 . 2]" 1
495 1 39 ARG H 1 39 ARG HB3 . . 3.580 2.431 2.268 2.686 . 0 0 "[ . 1 . 2]" 1
496 1 39 ARG H 1 39 ARG HD2 . . 5.500 4.814 3.667 5.109 . 0 0 "[ . 1 . 2]" 1
497 1 39 ARG H 1 39 ARG HD3 . . 5.500 4.710 3.611 5.165 . 0 0 "[ . 1 . 2]" 1
498 1 39 ARG H 1 39 ARG HG2 . . 5.160 3.585 1.934 4.461 . 0 0 "[ . 1 . 2]" 1
499 1 39 ARG H 1 39 ARG HG3 . . 5.160 4.029 1.932 4.556 . 0 0 "[ . 1 . 2]" 1
500 1 39 ARG H 1 40 GLU H . . 3.480 2.610 2.496 2.706 . 0 0 "[ . 1 . 2]" 1
501 1 39 ARG H 1 41 GLU H . . 5.280 4.354 4.221 4.455 . 0 0 "[ . 1 . 2]" 1
502 1 39 ARG H 1 42 ALA H . . 5.500 4.895 4.763 5.141 . 0 0 "[ . 1 . 2]" 1
503 1 39 ARG H 1 69 ILE MG . . 6.210 4.825 3.950 5.536 . 0 0 "[ . 1 . 2]" 1
504 1 39 ARG H 1 76 VAL HB . . 5.500 4.987 4.569 5.407 . 0 0 "[ . 1 . 2]" 1
505 1 39 ARG H 1 76 VAL MG1 . . 4.130 2.569 2.288 2.952 . 0 0 "[ . 1 . 2]" 1
506 1 39 ARG H 1 76 VAL MG2 . . 4.910 3.422 3.206 3.699 . 0 0 "[ . 1 . 2]" 1
507 1 39 ARG HA 1 39 ARG HD2 . . 5.500 4.678 4.052 5.535 0.035 3 0 "[ . 1 . 2]" 1
508 1 39 ARG HA 1 39 ARG HD3 . . 5.500 4.720 4.476 4.910 . 0 0 "[ . 1 . 2]" 1
509 1 39 ARG HA 1 41 GLU H . . 5.380 4.355 4.237 4.513 . 0 0 "[ . 1 . 2]" 1
510 1 39 ARG HA 1 42 ALA H . . 4.070 3.215 3.073 3.482 . 0 0 "[ . 1 . 2]" 1
511 1 39 ARG HA 1 42 ALA MB . . 4.750 2.549 2.321 3.047 . 0 0 "[ . 1 . 2]" 1
512 1 39 ARG HA 1 43 GLU H . . 5.130 4.249 3.945 4.644 . 0 0 "[ . 1 . 2]" 1
513 1 39 ARG HA 1 69 ILE MD . . 5.960 4.322 2.834 6.286 0.326 18 0 "[ . 1 . 2]" 1
514 1 39 ARG HA 1 69 ILE MG . . 5.030 2.870 2.130 3.605 . 0 0 "[ . 1 . 2]" 1
515 1 39 ARG HA 1 71 ASP HA . . 5.500 5.248 4.855 5.569 0.069 9 0 "[ . 1 . 2]" 1
516 1 39 ARG HA 1 76 VAL MG1 . . 5.090 2.439 1.972 2.872 . 0 0 "[ . 1 . 2]" 1
517 1 39 ARG HA 1 76 VAL MG2 . . 4.690 1.934 1.532 2.513 . 0 0 "[ . 1 . 2]" 1
518 1 39 ARG QB 1 40 GLU H . . 4.110 3.122 2.652 3.624 . 0 0 "[ . 1 . 2]" 1
519 1 39 ARG QB 1 42 ALA MB . . 7.400 3.832 3.382 4.461 . 0 0 "[ . 1 . 2]" 1
520 1 39 ARG QB 1 71 ASP QB . . 7.170 4.070 3.001 4.763 . 0 0 "[ . 1 . 2]" 1
521 1 39 ARG QB 1 76 VAL MG1 . . 6.000 2.210 1.819 2.900 . 0 0 "[ . 1 . 2]" 1
522 1 39 ARG HB2 1 39 ARG HE . . 5.500 4.178 3.016 4.662 . 0 0 "[ . 1 . 2]" 1
523 1 39 ARG HB2 1 40 GLU H . . 4.260 4.051 3.878 4.203 . 0 0 "[ . 1 . 2]" 1
524 1 39 ARG HB2 1 69 ILE MD . . 6.520 4.385 2.145 6.244 . 0 0 "[ . 1 . 2]" 1
525 1 39 ARG HB2 1 69 ILE MG . . 6.520 2.862 1.663 3.724 . 0 0 "[ . 1 . 2]" 1
526 1 39 ARG HB2 1 71 ASP HA . . 5.500 4.610 3.854 5.611 0.111 5 0 "[ . 1 . 2]" 1
527 1 39 ARG HB2 1 76 VAL MG1 . . 6.400 2.710 1.828 4.025 . 0 0 "[ . 1 . 2]" 1
528 1 39 ARG HB2 1 76 VAL MG2 . . 6.520 3.783 3.245 4.678 . 0 0 "[ . 1 . 2]" 1
529 1 39 ARG HB3 1 39 ARG HE . . 5.500 3.828 1.902 4.701 . 0 0 "[ . 1 . 2]" 1
530 1 39 ARG HB3 1 40 GLU H . . 4.260 3.331 2.699 4.168 . 0 0 "[ . 1 . 2]" 1
531 1 39 ARG HB3 1 69 ILE MD . . 6.520 5.121 3.624 6.820 0.300 18 0 "[ . 1 . 2]" 1
532 1 39 ARG HB3 1 69 ILE MG . . 6.520 3.693 2.464 4.477 . 0 0 "[ . 1 . 2]" 1
533 1 39 ARG HB3 1 71 ASP HA . . 5.500 5.059 3.885 5.632 0.132 17 0 "[ . 1 . 2]" 1
534 1 39 ARG HB3 1 76 VAL MG1 . . 6.400 2.999 1.992 3.555 . 0 0 "[ . 1 . 2]" 1
535 1 39 ARG HB3 1 76 VAL MG2 . . 6.520 4.143 3.361 4.594 . 0 0 "[ . 1 . 2]" 1
536 1 39 ARG QD 1 71 ASP HA . . 4.990 5.135 4.029 6.880 1.890 20 6 "[ ** * -1* . +]" 1
537 1 39 ARG QD 1 76 VAL MG1 . . 7.400 4.100 3.449 5.191 . 0 0 "[ . 1 . 2]" 1
538 1 39 ARG HD2 1 69 ILE MD . . 6.520 4.836 3.190 6.324 . 0 0 "[ . 1 . 2]" 1
539 1 39 ARG HD2 1 69 ILE MG . . 6.520 3.816 2.331 5.677 . 0 0 "[ . 1 . 2]" 1
540 1 39 ARG HD3 1 69 ILE MD . . 6.520 4.841 3.296 5.686 . 0 0 "[ . 1 . 2]" 1
541 1 39 ARG HD3 1 69 ILE MG . . 6.520 4.087 3.590 4.478 . 0 0 "[ . 1 . 2]" 1
542 1 39 ARG QG 1 40 GLU H . . 5.350 3.157 2.330 3.922 . 0 0 "[ . 1 . 2]" 1
543 1 39 ARG QG 1 40 GLU HA . . 6.380 3.605 3.175 4.522 . 0 0 "[ . 1 . 2]" 1
544 1 39 ARG QG 1 43 GLU H . . 6.380 4.282 3.504 5.857 . 0 0 "[ . 1 . 2]" 1
545 1 39 ARG QG 1 43 GLU QG . . 5.660 3.251 2.150 4.859 . 0 0 "[ . 1 . 2]" 1
546 1 39 ARG QG 1 69 ILE MD . . 7.400 3.547 1.999 5.392 . 0 0 "[ . 1 . 2]" 1
547 1 39 ARG QG 1 69 ILE MG . . 7.400 2.668 1.445 4.309 . 0 0 "[ . 1 . 2]" 1
548 1 39 ARG QG 1 76 VAL MG1 . . 7.400 3.618 2.750 4.122 . 0 0 "[ . 1 . 2]" 1
549 1 39 ARG HG2 1 40 GLU H . . 5.500 3.404 2.575 4.263 . 0 0 "[ . 1 . 2]" 1
550 1 39 ARG HG2 1 43 GLU HG2 . . 6.980 4.968 2.366 7.017 0.037 19 0 "[ . 1 . 2]" 1
551 1 39 ARG HG2 1 43 GLU HG3 . . 6.980 4.375 2.274 6.825 . 0 0 "[ . 1 . 2]" 1
552 1 39 ARG HG3 1 40 GLU H . . 5.500 3.967 2.537 5.015 . 0 0 "[ . 1 . 2]" 1
553 1 39 ARG HG3 1 43 GLU HG2 . . 6.980 4.661 3.509 7.010 0.030 20 0 "[ . 1 . 2]" 1
554 1 39 ARG HG3 1 43 GLU HG3 . . 6.980 4.187 2.663 6.985 0.005 16 0 "[ . 1 . 2]" 1
555 1 40 GLU H 1 40 GLU HB2 . . 3.270 2.512 2.415 2.595 . 0 0 "[ . 1 . 2]" 1
556 1 40 GLU H 1 40 GLU HB3 . . 3.550 3.559 3.542 3.572 0.022 15 0 "[ . 1 . 2]" 1
557 1 40 GLU H 1 40 GLU HG2 . . 3.890 3.245 2.025 3.477 . 0 0 "[ . 1 . 2]" 1
558 1 40 GLU H 1 40 GLU QG . . 3.540 2.038 1.849 2.207 . 0 0 "[ . 1 . 2]" 1
559 1 40 GLU H 1 40 GLU HG3 . . 3.890 2.126 1.860 3.396 . 0 0 "[ . 1 . 2]" 1
560 1 40 GLU H 1 41 GLU H . . 3.610 2.707 2.562 2.821 . 0 0 "[ . 1 . 2]" 1
561 1 40 GLU H 1 41 GLU QG . . 6.380 4.291 4.001 4.696 . 0 0 "[ . 1 . 2]" 1
562 1 40 GLU H 1 42 ALA H . . 4.820 3.880 3.711 4.053 . 0 0 "[ . 1 . 2]" 1
563 1 40 GLU H 1 43 GLU H . . 5.500 4.820 4.674 5.046 . 0 0 "[ . 1 . 2]" 1
564 1 40 GLU H 1 69 ILE MD . . 6.520 6.082 4.964 7.995 1.475 18 3 "[ . - 1 * + 2]" 1
565 1 40 GLU H 1 69 ILE MG . . 6.520 5.345 4.840 5.852 . 0 0 "[ . 1 . 2]" 1
566 1 40 GLU H 1 76 VAL MG1 . . 6.520 4.512 4.349 4.687 . 0 0 "[ . 1 . 2]" 1
567 1 40 GLU H 1 76 VAL MG2 . . 6.520 4.459 4.315 4.589 . 0 0 "[ . 1 . 2]" 1
568 1 40 GLU HA 1 40 GLU HG2 . . 3.550 2.611 2.490 2.975 . 0 0 "[ . 1 . 2]" 1
569 1 40 GLU HA 1 40 GLU HG3 . . 3.550 3.100 2.925 3.776 0.226 9 0 "[ . 1 . 2]" 1
570 1 40 GLU HA 1 42 ALA H . . 5.500 4.001 3.898 4.101 . 0 0 "[ . 1 . 2]" 1
571 1 40 GLU HA 1 43 GLU H . . 4.110 3.477 3.143 3.741 . 0 0 "[ . 1 . 2]" 1
572 1 40 GLU HA 1 44 SER H . . 4.510 4.090 3.732 4.500 . 0 0 "[ . 1 . 2]" 1
573 1 40 GLU HA 1 69 ILE MD . . 6.520 5.443 4.566 7.204 0.684 18 1 "[ . 1 . + 2]" 1
574 1 40 GLU HB2 1 41 GLU H . . 3.950 2.333 2.209 2.556 . 0 0 "[ . 1 . 2]" 1
575 1 40 GLU HB2 1 41 GLU QG . . 5.230 3.236 2.915 3.510 . 0 0 "[ . 1 . 2]" 1
576 1 40 GLU HB3 1 41 GLU H . . 3.830 3.459 3.254 3.598 . 0 0 "[ . 1 . 2]" 1
577 1 40 GLU HB3 1 41 GLU QG . . 6.380 4.455 4.192 4.692 . 0 0 "[ . 1 . 2]" 1
578 1 40 GLU HB3 1 42 ALA H . . 5.100 5.218 5.173 5.254 0.154 2 0 "[ . 1 . 2]" 1
579 1 40 GLU HG2 1 41 GLU H . . 4.760 4.786 4.043 4.922 0.162 13 0 "[ . 1 . 2]" 1
580 1 40 GLU HG3 1 41 GLU H . . 4.760 4.100 3.911 4.508 . 0 0 "[ . 1 . 2]" 1
581 1 41 GLU H 1 41 GLU HB2 . . 3.890 2.478 2.346 2.611 . 0 0 "[ . 1 . 2]" 1
582 1 41 GLU H 1 41 GLU QB . . 3.660 2.434 2.315 2.548 . 0 0 "[ . 1 . 2]" 1
583 1 41 GLU H 1 41 GLU HB3 . . 3.890 3.570 3.554 3.587 . 0 0 "[ . 1 . 2]" 1
584 1 41 GLU H 1 41 GLU HG2 . . 4.290 2.166 1.973 2.393 . 0 0 "[ . 1 . 2]" 1
585 1 41 GLU H 1 41 GLU QG . . 3.940 2.147 1.963 2.359 . 0 0 "[ . 1 . 2]" 1
586 1 41 GLU H 1 41 GLU HG3 . . 4.290 3.556 3.458 3.627 . 0 0 "[ . 1 . 2]" 1
587 1 41 GLU H 1 42 ALA H . . 3.360 2.670 2.591 2.770 . 0 0 "[ . 1 . 2]" 1
588 1 41 GLU H 1 42 ALA MB . . 6.520 4.363 4.283 4.452 . 0 0 "[ . 1 . 2]" 1
589 1 41 GLU H 1 43 GLU H . . 4.790 4.463 4.248 4.658 . 0 0 "[ . 1 . 2]" 1
590 1 41 GLU H 1 76 VAL MG1 . . 6.520 5.417 5.235 5.673 . 0 0 "[ . 1 . 2]" 1
591 1 41 GLU H 1 76 VAL MG2 . . 6.520 4.381 4.238 4.616 . 0 0 "[ . 1 . 2]" 1
592 1 41 GLU HA 1 41 GLU HG2 . . 3.790 3.004 2.759 3.261 . 0 0 "[ . 1 . 2]" 1
593 1 41 GLU HA 1 41 GLU QG . . 3.470 2.887 2.688 3.080 . 0 0 "[ . 1 . 2]" 1
594 1 41 GLU HA 1 41 GLU HG3 . . 3.790 3.754 3.714 3.805 0.015 8 0 "[ . 1 . 2]" 1
595 1 41 GLU HA 1 44 SER H . . 5.500 3.696 3.325 3.971 . 0 0 "[ . 1 . 2]" 1
596 1 41 GLU QB 1 42 ALA HA . . 6.380 3.897 3.814 3.960 . 0 0 "[ . 1 . 2]" 1
597 1 41 GLU HB2 1 42 ALA H . . 3.920 2.849 2.728 2.959 . 0 0 "[ . 1 . 2]" 1
598 1 41 GLU HB2 1 42 ALA MB . . 6.520 3.985 3.821 4.138 . 0 0 "[ . 1 . 2]" 1
599 1 41 GLU HB2 1 76 VAL MG2 . . 6.520 3.643 3.230 3.912 . 0 0 "[ . 1 . 2]" 1
600 1 41 GLU HB3 1 42 ALA H . . 3.920 3.809 3.604 3.952 0.032 5 0 "[ . 1 . 2]" 1
601 1 41 GLU HB3 1 42 ALA MB . . 6.520 4.777 4.552 4.962 . 0 0 "[ . 1 . 2]" 1
602 1 41 GLU HB3 1 76 VAL MG2 . . 6.520 4.828 4.424 5.003 . 0 0 "[ . 1 . 2]" 1
603 1 41 GLU HG2 1 42 ALA H . . 5.500 4.363 4.136 4.583 . 0 0 "[ . 1 . 2]" 1
604 1 41 GLU HG3 1 42 ALA H . . 5.500 5.076 4.932 5.162 . 0 0 "[ . 1 . 2]" 1
605 1 42 ALA H 1 42 ALA MB . . 3.420 2.259 2.242 2.276 . 0 0 "[ . 1 . 2]" 1
606 1 42 ALA H 1 43 GLU H . . 3.480 2.574 2.452 2.687 . 0 0 "[ . 1 . 2]" 1
607 1 42 ALA H 1 44 SER H . . 4.940 3.842 3.690 4.051 . 0 0 "[ . 1 . 2]" 1
608 1 42 ALA H 1 69 ILE MD . . 5.310 4.960 4.033 7.032 1.722 18 3 "[ . - 1 * + 2]" 1
609 1 42 ALA H 1 69 ILE MG . . 6.520 4.513 4.117 5.251 . 0 0 "[ . 1 . 2]" 1
610 1 42 ALA H 1 76 VAL MG2 . . 4.970 3.325 3.181 3.575 . 0 0 "[ . 1 . 2]" 1
611 1 42 ALA HA 1 44 SER H . . 4.850 4.347 4.108 4.521 . 0 0 "[ . 1 . 2]" 1
612 1 42 ALA HA 1 45 PHE H . . 4.140 3.497 3.254 3.650 . 0 0 "[ . 1 . 2]" 1
613 1 42 ALA HA 1 45 PHE HB2 . . 4.290 3.488 3.134 3.850 . 0 0 "[ . 1 . 2]" 1
614 1 42 ALA HA 1 45 PHE QB . . 4.060 2.976 2.616 3.257 . 0 0 "[ . 1 . 2]" 1
615 1 42 ALA HA 1 45 PHE HB3 . . 4.290 3.249 2.801 3.683 . 0 0 "[ . 1 . 2]" 1
616 1 42 ALA HA 1 46 MET H . . 4.820 4.511 4.068 4.858 0.038 16 0 "[ . 1 . 2]" 1
617 1 42 ALA HA 1 69 ILE MD . . 6.520 5.115 4.383 6.869 0.349 18 0 "[ . 1 . 2]" 1
618 1 42 ALA HA 1 78 LEU QB . . 6.380 3.010 2.834 3.271 . 0 0 "[ . 1 . 2]" 1
619 1 42 ALA HA 1 78 LEU MD2 . . 6.520 3.639 3.336 4.295 . 0 0 "[ . 1 . 2]" 1
620 1 42 ALA MB 1 43 GLU H . . 3.730 2.389 2.295 2.619 . 0 0 "[ . 1 . 2]" 1
621 1 42 ALA MB 1 43 GLU HA . . 6.360 3.819 3.740 3.893 . 0 0 "[ . 1 . 2]" 1
622 1 42 ALA MB 1 43 GLU QB . . 7.400 4.184 3.814 4.471 . 0 0 "[ . 1 . 2]" 1
623 1 42 ALA MB 1 43 GLU HG2 . . 6.520 3.766 3.262 4.247 . 0 0 "[ . 1 . 2]" 1
624 1 42 ALA MB 1 43 GLU HG3 . . 6.520 3.857 3.009 4.992 . 0 0 "[ . 1 . 2]" 1
625 1 42 ALA MB 1 44 SER H . . 5.650 4.373 4.221 4.576 . 0 0 "[ . 1 . 2]" 1
626 1 42 ALA MB 1 67 TYR QE . . 8.650 6.008 4.109 8.728 0.078 13 0 "[ . 1 . 2]" 1
627 1 42 ALA MB 1 69 ILE HB . . 6.460 4.569 4.178 5.264 . 0 0 "[ . 1 . 2]" 1
628 1 42 ALA MB 1 69 ILE MD . . 6.270 2.812 2.001 4.559 . 0 0 "[ . 1 . 2]" 1
629 1 42 ALA MB 1 69 ILE MG . . 6.920 2.371 2.119 2.944 . 0 0 "[ . 1 . 2]" 1
630 1 42 ALA MB 1 70 LYS H . . 6.520 4.968 4.525 5.290 . 0 0 "[ . 1 . 2]" 1
631 1 42 ALA MB 1 76 VAL MG2 . . 6.610 2.169 1.974 2.458 . 0 0 "[ . 1 . 2]" 1
632 1 42 ALA MB 1 77 GLU H . . 6.520 5.049 4.793 5.480 . 0 0 "[ . 1 . 2]" 1
633 1 42 ALA MB 1 77 GLU HA . . 6.520 5.059 4.641 5.519 . 0 0 "[ . 1 . 2]" 1
634 1 42 ALA MB 1 78 LEU H . . 6.520 4.090 3.799 4.382 . 0 0 "[ . 1 . 2]" 1
635 1 42 ALA MB 1 78 LEU HA . . 6.210 3.331 3.040 3.534 . 0 0 "[ . 1 . 2]" 1
636 1 42 ALA MB 1 78 LEU QB . . 7.400 2.140 1.759 2.544 . 0 0 "[ . 1 . 2]" 1
637 1 43 GLU H 1 43 GLU HB2 . . 3.760 2.590 2.232 3.596 . 0 0 "[ . 1 . 2]" 1
638 1 43 GLU H 1 43 GLU QB . . 3.550 2.458 2.208 2.685 . 0 0 "[ . 1 . 2]" 1
639 1 43 GLU H 1 43 GLU HB3 . . 3.760 3.500 2.713 3.622 . 0 0 "[ . 1 . 2]" 1
640 1 43 GLU H 1 43 GLU HG2 . . 3.830 2.881 1.884 3.527 . 0 0 "[ . 1 . 2]" 1
641 1 43 GLU H 1 43 GLU QG . . 3.650 2.201 1.868 2.697 . 0 0 "[ . 1 . 2]" 1
642 1 43 GLU H 1 43 GLU HG3 . . 3.830 2.700 2.018 3.858 0.028 9 0 "[ . 1 . 2]" 1
643 1 43 GLU H 1 44 SER H . . 3.480 2.634 2.548 2.738 . 0 0 "[ . 1 . 2]" 1
644 1 43 GLU H 1 45 PHE H . . 4.880 4.068 3.932 4.204 . 0 0 "[ . 1 . 2]" 1
645 1 43 GLU H 1 69 ILE MD . . 4.380 3.577 2.715 5.314 0.934 18 1 "[ . 1 . + 2]" 1
646 1 43 GLU H 1 69 ILE MG . . 6.520 4.225 3.453 5.002 . 0 0 "[ . 1 . 2]" 1
647 1 43 GLU H 1 76 VAL MG2 . . 6.520 4.855 4.489 5.314 . 0 0 "[ . 1 . 2]" 1
648 1 43 GLU H 1 78 LEU MD2 . . 6.520 4.388 3.914 4.743 . 0 0 "[ . 1 . 2]" 1
649 1 43 GLU HA 1 43 GLU HG2 . . 3.860 2.723 2.372 3.708 . 0 0 "[ . 1 . 2]" 1
650 1 43 GLU HA 1 43 GLU QG . . 3.690 2.606 2.318 3.332 . 0 0 "[ . 1 . 2]" 1
651 1 43 GLU HA 1 43 GLU HG3 . . 3.860 3.400 3.057 3.839 . 0 0 "[ . 1 . 2]" 1
652 1 43 GLU HA 1 46 MET H . . 5.220 3.322 3.066 3.610 . 0 0 "[ . 1 . 2]" 1
653 1 43 GLU HA 1 69 ILE MD . . 6.520 3.223 2.609 4.154 . 0 0 "[ . 1 . 2]" 1
654 1 43 GLU QB 1 45 PHE H . . 5.920 4.644 4.465 4.948 . 0 0 "[ . 1 . 2]" 1
655 1 43 GLU QB 1 47 THR H . . 5.700 5.014 4.507 5.529 . 0 0 "[ . 1 . 2]" 1
656 1 43 GLU QB 1 69 ILE MD . . 7.280 3.618 2.208 4.281 . 0 0 "[ . 1 . 2]" 1
657 1 43 GLU QB 1 78 LEU MD2 . . 7.400 5.174 4.377 5.797 . 0 0 "[ . 1 . 2]" 1
658 1 43 GLU HB2 1 44 SER H . . 4.110 2.842 2.394 3.753 . 0 0 "[ . 1 . 2]" 1
659 1 43 GLU HB3 1 44 SER H . . 4.110 3.753 3.413 4.109 . 0 0 "[ . 1 . 2]" 1
660 1 43 GLU QG 1 69 ILE MD . . 4.520 2.270 1.314 3.638 . 0 0 "[ . 1 . 2]" 1
661 1 43 GLU HG2 1 44 SER H . . 5.500 4.606 2.859 5.118 . 0 0 "[ . 1 . 2]" 1
662 1 43 GLU HG2 1 69 ILE MD . . 4.850 2.346 1.316 3.793 . 0 0 "[ . 1 . 2]" 1
663 1 43 GLU HG2 1 69 ILE MG . . 6.520 3.978 2.337 4.853 . 0 0 "[ . 1 . 2]" 1
664 1 43 GLU HG3 1 44 SER H . . 5.500 4.284 2.328 5.114 . 0 0 "[ . 1 . 2]" 1
665 1 43 GLU HG3 1 69 ILE MD . . 4.850 3.220 2.412 4.680 . 0 0 "[ . 1 . 2]" 1
666 1 43 GLU HG3 1 69 ILE MG . . 6.520 4.272 2.570 6.296 . 0 0 "[ . 1 . 2]" 1
667 1 44 SER H 1 44 SER HB2 . . 3.980 2.521 2.406 2.580 . 0 0 "[ . 1 . 2]" 1
668 1 44 SER H 1 44 SER HB3 . . 3.980 3.438 2.496 3.623 . 0 0 "[ . 1 . 2]" 1
669 1 44 SER H 1 45 PHE H . . 3.360 2.616 2.406 2.725 . 0 0 "[ . 1 . 2]" 1
670 1 44 SER H 1 45 PHE QB . . 6.380 4.390 4.185 4.518 . 0 0 "[ . 1 . 2]" 1
671 1 44 SER H 1 46 MET H . . 5.500 4.111 3.863 4.326 . 0 0 "[ . 1 . 2]" 1
672 1 44 SER HA 1 46 MET H . . 5.500 4.329 3.953 4.706 . 0 0 "[ . 1 . 2]" 1
673 1 44 SER HA 1 47 THR H . . 4.070 3.568 3.280 3.931 . 0 0 "[ . 1 . 2]" 1
674 1 44 SER HA 1 48 LYS H . . 5.310 5.079 4.413 5.416 0.106 1 0 "[ . 1 . 2]" 1
675 1 44 SER HB2 1 45 PHE H . . 4.350 3.053 2.733 3.995 . 0 0 "[ . 1 . 2]" 1
676 1 44 SER HB3 1 45 PHE H . . 4.350 3.763 2.726 3.996 . 0 0 "[ . 1 . 2]" 1
677 1 45 PHE H 1 45 PHE HB2 . . 3.360 2.495 2.287 2.617 . 0 0 "[ . 1 . 2]" 1
678 1 45 PHE H 1 45 PHE QB . . 3.150 2.258 2.199 2.301 . 0 0 "[ . 1 . 2]" 1
679 1 45 PHE H 1 45 PHE HB3 . . 3.360 2.611 2.463 2.849 . 0 0 "[ . 1 . 2]" 1
680 1 45 PHE H 1 46 MET H . . 3.450 2.427 2.263 2.642 . 0 0 "[ . 1 . 2]" 1
681 1 45 PHE H 1 46 MET QB . . 5.570 4.179 4.005 4.361 . 0 0 "[ . 1 . 2]" 1
682 1 45 PHE H 1 78 LEU MD1 . . 6.520 5.480 5.266 5.635 . 0 0 "[ . 1 . 2]" 1
683 1 45 PHE H 1 78 LEU HG . . 4.630 4.724 4.670 4.780 0.150 12 0 "[ . 1 . 2]" 1
684 1 45 PHE HA 1 48 LYS QB . . 6.380 4.662 4.074 5.182 . 0 0 "[ . 1 . 2]" 1
685 1 45 PHE HA 1 48 LYS QD . . 6.380 3.278 2.449 4.603 . 0 0 "[ . 1 . 2]" 1
686 1 45 PHE HA 1 48 LYS QG . . 5.700 2.772 2.125 3.264 . 0 0 "[ . 1 . 2]" 1
687 1 45 PHE HA 1 49 LEU QD . . 6.520 3.747 3.516 4.019 . 0 0 "[ . 1 . 2]" 1
688 1 45 PHE QB 1 46 MET H . . 3.870 2.674 2.373 2.876 . 0 0 "[ . 1 . 2]" 1
689 1 45 PHE QB 1 78 LEU MD2 . . 7.400 4.211 3.822 4.576 . 0 0 "[ . 1 . 2]" 1
690 1 45 PHE QB 1 78 LEU HG . . 6.380 3.050 2.541 3.400 . 0 0 "[ . 1 . 2]" 1
691 1 45 PHE HB2 1 46 MET H . . 4.200 3.833 3.708 3.980 . 0 0 "[ . 1 . 2]" 1
692 1 45 PHE HB2 1 78 LEU MD1 . . 6.520 4.936 4.387 5.249 . 0 0 "[ . 1 . 2]" 1
693 1 45 PHE HB3 1 46 MET H . . 4.200 2.732 2.401 2.965 . 0 0 "[ . 1 . 2]" 1
694 1 45 PHE HB3 1 78 LEU MD1 . . 6.520 3.668 3.281 3.897 . 0 0 "[ . 1 . 2]" 1
695 1 45 PHE QD 1 46 MET H . . 7.630 4.020 3.681 4.450 . 0 0 "[ . 1 . 2]" 1
696 1 45 PHE QD 1 49 LEU QD . . 7.870 2.933 2.150 3.319 . 0 0 "[ . 1 . 2]" 1
697 1 45 PHE QD 1 49 LEU HG . . 7.630 3.686 3.122 4.440 . 0 0 "[ . 1 . 2]" 1
698 1 45 PHE QD 1 78 LEU MD1 . . 8.650 2.751 1.974 3.591 . 0 0 "[ . 1 . 2]" 1
699 1 45 PHE QD 1 78 LEU MD2 . . 8.650 4.562 3.743 5.503 . 0 0 "[ . 1 . 2]" 1
700 1 45 PHE QE 1 100 LEU QD . . 8.650 4.997 3.101 6.630 . 0 0 "[ . 1 . 2]" 1
701 1 45 PHE QE 1 101 ALA HA . . 7.630 6.126 4.216 7.683 0.053 9 0 "[ . 1 . 2]" 1
702 1 45 PHE QE 1 101 ALA MB . . 8.650 4.294 2.830 6.241 . 0 0 "[ . 1 . 2]" 1
703 1 46 MET H 1 46 MET QB . . 3.860 2.242 2.219 2.266 . 0 0 "[ . 1 . 2]" 1
704 1 46 MET H 1 46 MET ME . . 5.250 3.899 3.724 4.043 . 0 0 "[ . 1 . 2]" 1
705 1 46 MET H 1 46 MET HG2 . . 4.790 4.592 4.481 4.612 . 0 0 "[ . 1 . 2]" 1
706 1 46 MET H 1 46 MET HG3 . . 4.790 4.438 4.398 4.490 . 0 0 "[ . 1 . 2]" 1
707 1 46 MET H 1 47 THR H . . 3.830 2.611 2.527 2.724 . 0 0 "[ . 1 . 2]" 1
708 1 46 MET H 1 48 LYS H . . 5.500 4.611 4.405 4.738 . 0 0 "[ . 1 . 2]" 1
709 1 46 MET H 1 69 ILE MD . . 6.520 5.513 4.860 6.816 0.296 7 0 "[ . 1 . 2]" 1
710 1 46 MET H 1 78 LEU MD1 . . 5.120 4.417 4.163 4.855 . 0 0 "[ . 1 . 2]" 1
711 1 46 MET H 1 78 LEU MD2 . . 5.870 4.270 3.850 4.765 . 0 0 "[ . 1 . 2]" 1
712 1 46 MET HA 1 49 LEU H . . 4.510 3.330 3.090 3.608 . 0 0 "[ . 1 . 2]" 1
713 1 46 MET HA 1 49 LEU HB2 . . 4.600 2.203 1.941 2.480 . 0 0 "[ . 1 . 2]" 1
714 1 46 MET HA 1 49 LEU QB . . 4.080 2.184 1.924 2.452 . 0 0 "[ . 1 . 2]" 1
715 1 46 MET HA 1 49 LEU HB3 . . 4.600 3.618 3.150 3.970 . 0 0 "[ . 1 . 2]" 1
716 1 46 MET HA 1 49 LEU QD . . 5.780 3.103 2.176 3.685 . 0 0 "[ . 1 . 2]" 1
717 1 46 MET HA 1 49 LEU HG . . 5.500 3.340 2.802 3.869 . 0 0 "[ . 1 . 2]" 1
718 1 46 MET HA 1 50 LYS H . . 5.410 4.203 3.831 4.492 . 0 0 "[ . 1 . 2]" 1
719 1 46 MET HA 1 78 LEU MD1 . . 6.520 3.928 3.554 4.395 . 0 0 "[ . 1 . 2]" 1
720 1 46 MET QB 1 67 TYR QD . . 8.510 4.377 3.662 5.230 . 0 0 "[ . 1 . 2]" 1
721 1 46 MET QB 1 78 LEU MD1 . . 6.690 3.335 2.831 4.001 . 0 0 "[ . 1 . 2]" 1
722 1 46 MET QB 1 78 LEU MD2 . . 6.530 2.877 2.425 3.548 . 0 0 "[ . 1 . 2]" 1
723 1 46 MET HB2 1 47 THR H . . 5.100 4.045 3.925 4.156 . 0 0 "[ . 1 . 2]" 1
724 1 46 MET HB3 1 47 THR H . . 5.100 2.883 2.699 3.155 . 0 0 "[ . 1 . 2]" 1
725 1 46 MET ME 1 49 LEU H . . 6.520 5.161 3.677 6.064 . 0 0 "[ . 1 . 2]" 1
726 1 46 MET ME 1 49 LEU QD . . 7.540 3.764 3.201 4.572 . 0 0 "[ . 1 . 2]" 1
727 1 46 MET ME 1 50 LYS H . . 6.520 5.269 3.157 5.869 . 0 0 "[ . 1 . 2]" 1
728 1 46 MET ME 1 65 VAL QG . . 7.540 3.204 2.463 4.122 . 0 0 "[ . 1 . 2]" 1
729 1 46 MET ME 1 66 ALA H . . 6.520 6.038 5.143 6.791 0.271 6 0 "[ . 1 . 2]" 1
730 1 46 MET ME 1 67 TYR HA . . 6.520 4.104 3.108 5.512 . 0 0 "[ . 1 . 2]" 1
731 1 46 MET ME 1 67 TYR QB . . 7.400 2.215 1.769 3.407 . 0 0 "[ . 1 . 2]" 1
732 1 46 MET ME 1 67 TYR QD . . 8.650 3.133 2.366 4.656 . 0 0 "[ . 1 . 2]" 1
733 1 46 MET ME 1 67 TYR QE . . 8.650 4.344 3.427 5.974 . 0 0 "[ . 1 . 2]" 1
734 1 46 MET ME 1 69 ILE MD . . 7.540 4.657 3.696 6.672 . 0 0 "[ . 1 . 2]" 1
735 1 46 MET ME 1 78 LEU MD2 . . 7.540 2.660 2.091 4.688 . 0 0 "[ . 1 . 2]" 1
736 1 46 MET ME 1 80 ALA HA . . 6.520 3.618 2.386 4.950 . 0 0 "[ . 1 . 2]" 1
737 1 46 MET ME 1 81 ALA H . . 6.520 4.868 3.891 5.855 . 0 0 "[ . 1 . 2]" 1
738 1 46 MET ME 1 82 PHE QD . . 8.650 4.967 4.249 5.583 . 0 0 "[ . 1 . 2]" 1
739 1 46 MET ME 1 82 PHE QE . . 8.650 3.341 2.510 4.100 . 0 0 "[ . 1 . 2]" 1
740 1 46 MET QG 1 47 THR H . . 4.960 3.824 3.584 4.063 . 0 0 "[ . 1 . 2]" 1
741 1 46 MET QG 1 47 THR HA . . 5.480 3.752 3.419 4.071 . 0 0 "[ . 1 . 2]" 1
742 1 46 MET QG 1 50 LYS H . . 6.070 4.147 3.468 4.541 . 0 0 "[ . 1 . 2]" 1
743 1 46 MET QG 1 65 VAL QG . . 7.000 3.966 3.379 4.547 . 0 0 "[ . 1 . 2]" 1
744 1 46 MET QG 1 67 TYR QD . . 7.070 3.712 3.039 5.046 . 0 0 "[ . 1 . 2]" 1
745 1 46 MET HG2 1 47 THR H . . 5.470 4.924 4.324 5.183 . 0 0 "[ . 1 . 2]" 1
746 1 46 MET HG2 1 67 TYR QD . . 7.630 3.850 3.079 5.710 . 0 0 "[ . 1 . 2]" 1
747 1 46 MET HG2 1 67 TYR QE . . 7.630 3.905 2.724 5.961 . 0 0 "[ . 1 . 2]" 1
748 1 46 MET HG3 1 47 THR H . . 5.470 4.012 3.704 4.935 . 0 0 "[ . 1 . 2]" 1
749 1 46 MET HG3 1 67 TYR QD . . 7.630 4.995 4.318 5.621 . 0 0 "[ . 1 . 2]" 1
750 1 46 MET HG3 1 67 TYR QE . . 7.630 4.945 3.891 6.442 . 0 0 "[ . 1 . 2]" 1
751 1 47 THR H 1 47 THR HB . . 3.610 2.657 2.544 2.794 . 0 0 "[ . 1 . 2]" 1
752 1 47 THR H 1 47 THR MG . . 4.500 3.742 3.687 3.769 . 0 0 "[ . 1 . 2]" 1
753 1 47 THR H 1 48 LYS H . . 3.730 2.858 2.752 2.998 . 0 0 "[ . 1 . 2]" 1
754 1 47 THR H 1 50 LYS H . . 5.500 4.826 4.712 4.991 . 0 0 "[ . 1 . 2]" 1
755 1 47 THR HA 1 50 LYS H . . 4.820 3.683 3.546 3.822 . 0 0 "[ . 1 . 2]" 1
756 1 47 THR HA 1 50 LYS HB2 . . 4.690 3.220 2.878 3.580 . 0 0 "[ . 1 . 2]" 1
757 1 47 THR HA 1 50 LYS HB3 . . 4.690 4.660 4.016 4.816 0.126 4 0 "[ . 1 . 2]" 1
758 1 47 THR HA 1 50 LYS QD . . 6.380 2.756 1.403 5.027 . 0 0 "[ . 1 . 2]" 1
759 1 47 THR HA 1 50 LYS QG . . 6.380 3.764 3.000 4.568 . 0 0 "[ . 1 . 2]" 1
760 1 47 THR HB 1 48 LYS H . . 3.580 2.419 2.260 2.574 . 0 0 "[ . 1 . 2]" 1
761 1 47 THR HB 1 48 LYS HG2 . . 5.500 4.105 3.860 5.250 . 0 0 "[ . 1 . 2]" 1
762 1 47 THR HB 1 48 LYS QG . . 5.290 3.957 3.775 4.340 . 0 0 "[ . 1 . 2]" 1
763 1 47 THR HB 1 48 LYS HG3 . . 5.500 5.422 4.627 5.573 0.073 15 0 "[ . 1 . 2]" 1
764 1 47 THR MG 1 48 LYS H . . 4.530 3.459 3.331 3.656 . 0 0 "[ . 1 . 2]" 1
765 1 47 THR MG 1 48 LYS HA . . 6.520 3.555 3.308 3.845 . 0 0 "[ . 1 . 2]" 1
766 1 47 THR MG 1 50 LYS H . . 5.990 4.794 4.594 4.979 . 0 0 "[ . 1 . 2]" 1
767 1 47 THR MG 1 51 GLU H . . 5.560 4.772 4.209 5.227 . 0 0 "[ . 1 . 2]" 1
768 1 48 LYS H 1 48 LYS HB2 . . 3.640 3.619 3.595 3.649 0.009 19 0 "[ . 1 . 2]" 1
769 1 48 LYS H 1 48 LYS QB . . 3.470 2.635 2.561 2.713 . 0 0 "[ . 1 . 2]" 1
770 1 48 LYS H 1 48 LYS HB3 . . 3.640 2.708 2.622 2.802 . 0 0 "[ . 1 . 2]" 1
771 1 48 LYS H 1 48 LYS HD2 . . 5.470 4.038 3.415 4.869 . 0 0 "[ . 1 . 2]" 1
772 1 48 LYS H 1 48 LYS QD . . 5.270 3.722 3.257 4.266 . 0 0 "[ . 1 . 2]" 1
773 1 48 LYS H 1 48 LYS HD3 . . 5.470 4.405 4.108 4.812 . 0 0 "[ . 1 . 2]" 1
774 1 48 LYS H 1 48 LYS HG2 . . 4.480 2.081 1.811 3.286 . 0 0 "[ . 1 . 2]" 1
775 1 48 LYS H 1 48 LYS QG . . 4.070 1.992 1.803 2.363 . 0 0 "[ . 1 . 2]" 1
776 1 48 LYS H 1 48 LYS HG3 . . 4.480 3.097 2.204 3.369 . 0 0 "[ . 1 . 2]" 1
777 1 48 LYS H 1 49 LEU H . . 3.700 2.513 2.459 2.606 . 0 0 "[ . 1 . 2]" 1
778 1 48 LYS H 1 50 LYS H . . 5.000 4.149 4.035 4.306 . 0 0 "[ . 1 . 2]" 1
779 1 48 LYS H 1 100 LEU QD . . 6.120 6.399 5.072 7.463 1.343 8 6 "[ .* + * - *.* 2]" 1
780 1 48 LYS HA 1 48 LYS HD2 . . 5.310 4.770 4.175 5.493 0.183 10 0 "[ . 1 . 2]" 1
781 1 48 LYS HA 1 48 LYS QD . . 4.890 4.378 3.791 4.507 . 0 0 "[ . 1 . 2]" 1
782 1 48 LYS HA 1 48 LYS HD3 . . 5.310 5.260 4.349 5.500 0.190 7 0 "[ . 1 . 2]" 1
783 1 48 LYS HA 1 50 LYS H . . 4.600 4.110 3.827 4.353 . 0 0 "[ . 1 . 2]" 1
784 1 48 LYS HA 1 51 GLU H . . 4.420 3.284 2.920 3.603 . 0 0 "[ . 1 . 2]" 1
785 1 48 LYS HA 1 51 GLU HB2 . . 5.500 3.173 2.505 3.849 . 0 0 "[ . 1 . 2]" 1
786 1 48 LYS HA 1 51 GLU HB3 . . 5.500 4.658 3.914 5.327 . 0 0 "[ . 1 . 2]" 1
787 1 48 LYS HA 1 51 GLU QG . . 6.380 2.785 2.158 3.419 . 0 0 "[ . 1 . 2]" 1
788 1 48 LYS HA 1 100 LEU QD . . 6.520 5.590 3.800 7.235 0.715 10 1 "[ . + . 2]" 1
789 1 48 LYS QB 1 49 LEU QD . . 7.400 3.692 3.512 4.147 . 0 0 "[ . 1 . 2]" 1
790 1 48 LYS QB 1 100 LEU QD . . 6.320 3.729 2.248 5.154 . 0 0 "[ . 1 . 2]" 1
791 1 48 LYS HB2 1 49 LEU H . . 4.200 3.907 3.835 4.027 . 0 0 "[ . 1 . 2]" 1
792 1 48 LYS HB2 1 100 LEU QD . . 6.520 3.873 2.269 5.438 . 0 0 "[ . 1 . 2]" 1
793 1 48 LYS HB3 1 49 LEU H . . 4.200 4.127 4.006 4.207 0.007 1 0 "[ . 1 . 2]" 1
794 1 48 LYS HB3 1 100 LEU QD . . 6.520 4.910 3.630 6.389 . 0 0 "[ . 1 . 2]" 1
795 1 48 LYS QD 1 49 LEU QD . . 6.750 3.236 2.112 3.769 . 0 0 "[ . 1 . 2]" 1
796 1 48 LYS HD2 1 49 LEU H . . 5.500 4.904 2.999 5.265 . 0 0 "[ . 1 . 2]" 1
797 1 48 LYS HD2 1 49 LEU QD . . 6.520 4.068 2.129 4.805 . 0 0 "[ . 1 . 2]" 1
798 1 48 LYS HD2 1 100 LEU QD . . 6.520 4.360 1.941 5.490 . 0 0 "[ . 1 . 2]" 1
799 1 48 LYS HD3 1 49 LEU H . . 5.500 4.792 4.225 5.149 . 0 0 "[ . 1 . 2]" 1
800 1 48 LYS HD3 1 49 LEU QD . . 6.520 3.527 2.795 4.094 . 0 0 "[ . 1 . 2]" 1
801 1 48 LYS HD3 1 100 LEU QD . . 6.520 4.146 2.195 5.635 . 0 0 "[ . 1 . 2]" 1
802 1 48 LYS QE 1 100 LEU QD . . 7.400 2.679 1.861 4.958 . 0 0 "[ . 1 . 2]" 1
803 1 48 LYS HE2 1 52 LEU QD . . 6.520 3.670 2.342 6.026 . 0 0 "[ . 1 . 2]" 1
804 1 48 LYS HE3 1 52 LEU QD . . 6.520 3.869 2.698 5.736 . 0 0 "[ . 1 . 2]" 1
805 1 48 LYS QG 1 49 LEU H . . 4.660 2.409 1.962 2.591 . 0 0 "[ . 1 . 2]" 1
806 1 48 LYS QG 1 100 LEU QD . . 6.110 4.171 3.027 5.311 . 0 0 "[ . 1 . 2]" 1
807 1 48 LYS HG2 1 49 LEU H . . 4.940 2.962 2.590 4.086 . 0 0 "[ . 1 . 2]" 1
808 1 48 LYS HG2 1 49 LEU HA . . 5.500 4.985 4.729 5.569 0.069 11 0 "[ . 1 . 2]" 1
809 1 48 LYS HG2 1 100 LEU QD . . 6.520 5.277 4.082 6.540 0.020 8 0 "[ . 1 . 2]" 1
810 1 48 LYS HG3 1 49 LEU H . . 4.940 2.636 1.976 2.976 . 0 0 "[ . 1 . 2]" 1
811 1 48 LYS HG3 1 49 LEU HA . . 5.500 3.712 3.299 4.245 . 0 0 "[ . 1 . 2]" 1
812 1 48 LYS HG3 1 100 LEU QD . . 6.520 4.402 3.093 5.618 . 0 0 "[ . 1 . 2]" 1
813 1 49 LEU H 1 49 LEU QB . . 3.900 2.154 2.049 2.281 . 0 0 "[ . 1 . 2]" 1
814 1 49 LEU H 1 49 LEU QD . . 4.940 2.411 2.150 2.770 . 0 0 "[ . 1 . 2]" 1
815 1 49 LEU H 1 49 LEU HG . . 4.350 3.996 3.795 4.224 . 0 0 "[ . 1 . 2]" 1
816 1 49 LEU H 1 50 LYS H . . 3.640 2.640 2.544 2.728 . 0 0 "[ . 1 . 2]" 1
817 1 49 LEU H 1 51 GLU H . . 5.500 4.238 4.059 4.431 . 0 0 "[ . 1 . 2]" 1
818 1 49 LEU H 1 52 LEU QB . . 6.190 4.995 4.742 5.207 . 0 0 "[ . 1 . 2]" 1
819 1 49 LEU HA 1 51 GLU H . . 4.660 4.335 4.005 4.577 . 0 0 "[ . 1 . 2]" 1
820 1 49 LEU HA 1 52 LEU H . . 4.110 3.294 3.058 3.615 . 0 0 "[ . 1 . 2]" 1
821 1 49 LEU HA 1 52 LEU HB2 . . 4.110 2.541 2.287 2.659 . 0 0 "[ . 1 . 2]" 1
822 1 49 LEU HA 1 52 LEU QB . . 3.950 2.519 2.273 2.630 . 0 0 "[ . 1 . 2]" 1
823 1 49 LEU HA 1 52 LEU HB3 . . 4.110 4.141 3.951 4.222 0.112 16 0 "[ . 1 . 2]" 1
824 1 49 LEU HA 1 52 LEU QD . . 6.520 2.448 2.194 2.812 . 0 0 "[ . 1 . 2]" 1
825 1 49 LEU HA 1 52 LEU HG . . 4.570 3.324 2.648 3.894 . 0 0 "[ . 1 . 2]" 1
826 1 49 LEU HA 1 53 ALA H . . 4.940 3.894 3.538 4.105 . 0 0 "[ . 1 . 2]" 1
827 1 49 LEU HA 1 93 PHE QE . . 7.630 4.032 3.369 4.500 . 0 0 "[ . 1 . 2]" 1
828 1 49 LEU QB 1 50 LYS H . . 4.430 2.745 2.557 2.967 . 0 0 "[ . 1 . 2]" 1
829 1 49 LEU HB2 1 50 LYS H . . 4.820 2.932 2.676 3.213 . 0 0 "[ . 1 . 2]" 1
830 1 49 LEU HB2 1 82 PHE QD . . 7.630 6.511 5.900 7.146 . 0 0 "[ . 1 . 2]" 1
831 1 49 LEU HB2 1 82 PHE QE . . 7.630 4.502 3.864 5.115 . 0 0 "[ . 1 . 2]" 1
832 1 49 LEU HB3 1 50 LYS H . . 4.820 3.329 3.001 3.573 . 0 0 "[ . 1 . 2]" 1
833 1 49 LEU HB3 1 82 PHE QD . . 7.630 5.160 4.495 5.817 . 0 0 "[ . 1 . 2]" 1
834 1 49 LEU HB3 1 82 PHE QE . . 7.630 3.311 2.653 3.904 . 0 0 "[ . 1 . 2]" 1
835 1 49 LEU QD 1 50 LYS H . . 5.770 3.963 3.852 4.039 . 0 0 "[ . 1 . 2]" 1
836 1 49 LEU QD 1 50 LYS HA . . 6.520 4.954 4.628 5.120 . 0 0 "[ . 1 . 2]" 1
837 1 49 LEU QD 1 52 LEU H . . 6.520 4.210 3.800 4.569 . 0 0 "[ . 1 . 2]" 1
838 1 49 LEU QD 1 52 LEU HA . . 6.520 5.273 4.737 5.772 . 0 0 "[ . 1 . 2]" 1
839 1 49 LEU QD 1 52 LEU HB2 . . 5.340 2.911 2.311 3.511 . 0 0 "[ . 1 . 2]" 1
840 1 49 LEU QD 1 52 LEU QB . . 5.180 2.824 2.265 3.375 . 0 0 "[ . 1 . 2]" 1
841 1 49 LEU QD 1 52 LEU HB3 . . 5.340 3.813 3.252 4.373 . 0 0 "[ . 1 . 2]" 1
842 1 49 LEU QD 1 52 LEU QD . . 7.350 2.178 1.684 2.703 . 0 0 "[ . 1 . 2]" 1
843 1 49 LEU QD 1 52 LEU HG . . 6.520 3.769 3.097 4.245 . 0 0 "[ . 1 . 2]" 1
844 1 49 LEU QD 1 53 ALA H . . 6.520 4.164 3.688 4.715 . 0 0 "[ . 1 . 2]" 1
845 1 49 LEU QD 1 53 ALA HA . . 6.520 5.061 4.671 5.687 . 0 0 "[ . 1 . 2]" 1
846 1 49 LEU QD 1 53 ALA MB . . 7.540 3.883 3.526 4.355 . 0 0 "[ . 1 . 2]" 1
847 1 49 LEU QD 1 78 LEU MD1 . . 6.890 4.107 3.292 5.029 . 0 0 "[ . 1 . 2]" 1
848 1 49 LEU QD 1 78 LEU HG . . 6.150 5.520 4.377 6.492 0.342 12 0 "[ . 1 . 2]" 1
849 1 49 LEU QD 1 80 ALA MB . . 7.040 3.875 2.599 4.807 . 0 0 "[ . 1 . 2]" 1
850 1 49 LEU QD 1 82 PHE H . . 6.520 6.340 5.455 7.284 0.764 7 2 "[ . + - . 2]" 1
851 1 49 LEU QD 1 82 PHE QB . . 7.400 5.046 4.487 5.460 . 0 0 "[ . 1 . 2]" 1
852 1 49 LEU QD 1 82 PHE QD . . 8.550 4.078 3.324 4.692 . 0 0 "[ . 1 . 2]" 1
853 1 49 LEU QD 1 82 PHE QE . . 8.500 2.832 2.091 3.798 . 0 0 "[ . 1 . 2]" 1
854 1 49 LEU QD 1 93 PHE QE . . 7.470 2.650 2.065 2.880 . 0 0 "[ . 1 . 2]" 1
855 1 49 LEU QD 1 93 PHE HZ . . 5.740 1.848 1.498 2.004 . 0 0 "[ . 1 . 2]" 1
856 1 49 LEU QD 1 97 LEU HA . . 6.520 4.382 3.683 5.284 . 0 0 "[ . 1 . 2]" 1
857 1 49 LEU QD 1 100 LEU QD . . 7.540 4.018 2.995 4.920 . 0 0 "[ . 1 . 2]" 1
858 1 49 LEU HG 1 50 LYS H . . 5.500 5.194 4.965 5.411 . 0 0 "[ . 1 . 2]" 1
859 1 50 LYS H 1 50 LYS HB2 . . 4.040 2.274 2.042 2.595 . 0 0 "[ . 1 . 2]" 1
860 1 50 LYS H 1 50 LYS QB . . 3.730 2.243 2.021 2.536 . 0 0 "[ . 1 . 2]" 1
861 1 50 LYS H 1 50 LYS HB3 . . 4.040 3.461 3.207 3.593 . 0 0 "[ . 1 . 2]" 1
862 1 50 LYS H 1 50 LYS HD2 . . 3.890 3.265 2.828 4.031 0.141 1 0 "[ . 1 . 2]" 1
863 1 50 LYS H 1 50 LYS HD3 . . 3.890 3.473 2.599 4.160 0.270 15 0 "[ . 1 . 2]" 1
864 1 50 LYS H 1 50 LYS HE2 . . 5.500 5.260 4.573 5.580 0.080 16 0 "[ . 1 . 2]" 1
865 1 50 LYS H 1 50 LYS HE3 . . 5.500 5.054 4.553 5.559 0.059 19 0 "[ . 1 . 2]" 1
866 1 50 LYS H 1 50 LYS QG . . 5.080 2.962 1.907 3.877 . 0 0 "[ . 1 . 2]" 1
867 1 50 LYS H 1 51 GLU H . . 3.580 2.760 2.657 2.913 . 0 0 "[ . 1 . 2]" 1
868 1 50 LYS H 1 51 GLU QG . . 5.950 4.233 3.988 4.756 . 0 0 "[ . 1 . 2]" 1
869 1 50 LYS H 1 52 LEU H . . 5.500 4.175 4.064 4.297 . 0 0 "[ . 1 . 2]" 1
870 1 50 LYS H 1 53 ALA MB . . 6.520 4.702 4.430 4.921 . 0 0 "[ . 1 . 2]" 1
871 1 50 LYS H 1 65 VAL QG . . 6.520 5.476 4.610 6.390 . 0 0 "[ . 1 . 2]" 1
872 1 50 LYS HA 1 50 LYS HD2 . . 5.500 3.316 1.911 4.908 . 0 0 "[ . 1 . 2]" 1
873 1 50 LYS HA 1 50 LYS HD3 . . 5.500 3.872 2.237 4.585 . 0 0 "[ . 1 . 2]" 1
874 1 50 LYS HA 1 53 ALA H . . 4.290 3.594 3.238 4.111 . 0 0 "[ . 1 . 2]" 1
875 1 50 LYS HA 1 53 ALA MB . . 4.410 2.814 2.361 3.394 . 0 0 "[ . 1 . 2]" 1
876 1 50 LYS HA 1 54 ALA H . . 4.820 4.237 3.912 4.823 0.003 6 0 "[ . 1 . 2]" 1
877 1 50 LYS HA 1 65 VAL QG . . 6.520 4.380 3.410 5.354 . 0 0 "[ . 1 . 2]" 1
878 1 50 LYS HA 1 82 PHE QD . . 7.630 5.682 4.916 6.922 . 0 0 "[ . 1 . 2]" 1
879 1 50 LYS QB 1 51 GLU H . . 4.210 2.528 2.210 2.800 . 0 0 "[ . 1 . 2]" 1
880 1 50 LYS QB 1 51 GLU HA . . 5.480 3.825 3.650 3.958 . 0 0 "[ . 1 . 2]" 1
881 1 50 LYS QB 1 65 VAL QG . . 7.400 4.971 3.571 5.905 . 0 0 "[ . 1 . 2]" 1
882 1 50 LYS HB2 1 51 GLU H . . 4.420 2.728 2.238 3.241 . 0 0 "[ . 1 . 2]" 1
883 1 50 LYS HB3 1 51 GLU H . . 4.420 3.230 2.559 3.635 . 0 0 "[ . 1 . 2]" 1
884 1 50 LYS QD 1 51 GLU H . . 5.110 4.412 4.025 4.679 . 0 0 "[ . 1 . 2]" 1
885 1 50 LYS QD 1 65 VAL QG . . 7.400 4.039 2.855 5.720 . 0 0 "[ . 1 . 2]" 1
886 1 50 LYS HD2 1 51 GLU H . . 5.470 5.018 4.696 5.558 0.088 7 0 "[ . 1 . 2]" 1
887 1 50 LYS HD3 1 51 GLU H . . 5.470 4.961 4.134 5.551 0.081 16 0 "[ . 1 . 2]" 1
888 1 50 LYS QE 1 65 VAL QG . . 5.970 3.147 1.707 5.634 . 0 0 "[ . 1 . 2]" 1
889 1 50 LYS HE2 1 65 VAL QG . . 6.520 3.524 1.720 6.614 0.094 18 0 "[ . 1 . 2]" 1
890 1 50 LYS HE3 1 65 VAL QG . . 6.520 3.724 1.909 6.104 . 0 0 "[ . 1 . 2]" 1
891 1 50 LYS QG 1 51 GLU H . . 5.500 4.259 3.888 4.610 . 0 0 "[ . 1 . 2]" 1
892 1 50 LYS QG 1 65 VAL HB . . 5.140 5.743 4.553 7.751 2.611 6 10 "[** *+ *1 * .* *-*]" 1
893 1 50 LYS QG 1 65 VAL QG . . 5.970 3.780 2.583 4.982 . 0 0 "[ . 1 . 2]" 1
894 1 50 LYS QG 1 82 PHE QD . . 7.630 6.405 5.437 7.784 0.154 9 0 "[ . 1 . 2]" 1
895 1 51 GLU H 1 51 GLU HB2 . . 3.830 2.547 2.340 2.666 . 0 0 "[ . 1 . 2]" 1
896 1 51 GLU H 1 51 GLU QB . . 3.540 2.495 2.310 2.598 . 0 0 "[ . 1 . 2]" 1
897 1 51 GLU H 1 51 GLU HB3 . . 3.830 3.588 3.566 3.605 . 0 0 "[ . 1 . 2]" 1
898 1 51 GLU H 1 51 GLU HG2 . . 3.610 2.968 1.954 3.486 . 0 0 "[ . 1 . 2]" 1
899 1 51 GLU H 1 51 GLU QG . . 3.280 2.093 1.900 2.455 . 0 0 "[ . 1 . 2]" 1
900 1 51 GLU H 1 51 GLU HG3 . . 3.610 2.441 1.915 3.647 0.037 13 0 "[ . 1 . 2]" 1
901 1 51 GLU H 1 52 LEU H . . 3.420 2.653 2.531 2.831 . 0 0 "[ . 1 . 2]" 1
902 1 51 GLU H 1 52 LEU QD . . 6.460 4.744 4.539 4.963 . 0 0 "[ . 1 . 2]" 1
903 1 51 GLU H 1 53 ALA H . . 5.190 4.172 3.985 4.368 . 0 0 "[ . 1 . 2]" 1
904 1 51 GLU H 1 53 ALA MB . . 6.520 4.897 4.701 5.094 . 0 0 "[ . 1 . 2]" 1
905 1 51 GLU H 1 54 ALA MB . . 6.460 4.933 4.634 5.312 . 0 0 "[ . 1 . 2]" 1
906 1 51 GLU HA 1 51 GLU HG2 . . 3.610 2.664 2.506 2.992 . 0 0 "[ . 1 . 2]" 1
907 1 51 GLU HA 1 51 GLU QG . . 3.430 2.560 2.423 2.885 . 0 0 "[ . 1 . 2]" 1
908 1 51 GLU HA 1 51 GLU HG3 . . 3.610 3.327 3.033 3.790 0.180 20 0 "[ . 1 . 2]" 1
909 1 51 GLU HA 1 54 ALA MB . . 4.600 3.003 2.566 3.497 . 0 0 "[ . 1 . 2]" 1
910 1 51 GLU QB 1 52 LEU HA . . 6.010 3.808 3.663 3.924 . 0 0 "[ . 1 . 2]" 1
911 1 51 GLU QB 1 52 LEU QD . . 7.400 3.451 3.230 3.694 . 0 0 "[ . 1 . 2]" 1
912 1 51 GLU QB 1 53 ALA H . . 6.380 4.692 4.595 4.860 . 0 0 "[ . 1 . 2]" 1
913 1 51 GLU HB2 1 52 LEU H . . 3.860 2.491 2.282 2.698 . 0 0 "[ . 1 . 2]" 1
914 1 51 GLU HB3 1 52 LEU H . . 3.860 3.607 3.341 3.822 . 0 0 "[ . 1 . 2]" 1
915 1 51 GLU QG 1 54 ALA MB . . 7.340 4.782 4.217 5.566 . 0 0 "[ . 1 . 2]" 1
916 1 51 GLU HG2 1 52 LEU H . . 4.820 4.698 4.038 4.870 0.050 17 0 "[ . 1 . 2]" 1
917 1 51 GLU HG3 1 52 LEU H . . 4.820 4.246 3.942 4.855 0.035 19 0 "[ . 1 . 2]" 1
918 1 52 LEU H 1 52 LEU HB2 . . 4.040 2.435 2.302 2.531 . 0 0 "[ . 1 . 2]" 1
919 1 52 LEU H 1 52 LEU QB . . 3.620 2.396 2.274 2.482 . 0 0 "[ . 1 . 2]" 1
920 1 52 LEU H 1 52 LEU HB3 . . 4.040 3.571 3.540 3.592 . 0 0 "[ . 1 . 2]" 1
921 1 52 LEU H 1 52 LEU QD . . 4.440 3.082 2.986 3.230 . 0 0 "[ . 1 . 2]" 1
922 1 52 LEU H 1 52 LEU HG . . 2.800 2.315 2.144 2.573 . 0 0 "[ . 1 . 2]" 1
923 1 52 LEU H 1 53 ALA H . . 3.700 2.684 2.581 2.809 . 0 0 "[ . 1 . 2]" 1
924 1 52 LEU H 1 93 PHE QE . . 7.630 4.398 3.900 4.774 . 0 0 "[ . 1 . 2]" 1
925 1 52 LEU H 1 97 LEU QD . . 6.520 5.387 4.894 5.905 . 0 0 "[ . 1 . 2]" 1
926 1 52 LEU HA 1 52 LEU HG . . 3.950 3.054 2.914 3.143 . 0 0 "[ . 1 . 2]" 1
927 1 52 LEU HA 1 55 ALA H . . 4.040 3.528 3.115 3.794 . 0 0 "[ . 1 . 2]" 1
928 1 52 LEU HA 1 56 ALA H . . 5.500 4.149 3.868 4.497 . 0 0 "[ . 1 . 2]" 1
929 1 52 LEU QB 1 53 ALA MB . . 7.120 3.787 3.651 3.988 . 0 0 "[ . 1 . 2]" 1
930 1 52 LEU QB 1 93 PHE HA . . 6.380 4.658 3.993 5.365 . 0 0 "[ . 1 . 2]" 1
931 1 52 LEU QB 1 93 PHE QE . . 7.410 2.152 1.873 2.432 . 0 0 "[ . 1 . 2]" 1
932 1 52 LEU QB 1 97 LEU H . . 6.130 5.661 5.201 6.423 0.293 19 0 "[ . 1 . 2]" 1
933 1 52 LEU QB 1 97 LEU HA . . 6.380 5.280 4.601 6.133 . 0 0 "[ . 1 . 2]" 1
934 1 52 LEU QB 1 97 LEU HG . . 6.380 4.870 4.436 5.378 . 0 0 "[ . 1 . 2]" 1
935 1 52 LEU HB2 1 53 ALA H . . 3.790 2.598 2.404 2.831 . 0 0 "[ . 1 . 2]" 1
936 1 52 LEU HB2 1 93 PHE QD . . 7.630 4.300 3.786 4.915 . 0 0 "[ . 1 . 2]" 1
937 1 52 LEU HB2 1 93 PHE QE . . 7.630 2.416 2.169 2.761 . 0 0 "[ . 1 . 2]" 1
938 1 52 LEU HB2 1 97 LEU QD . . 6.520 3.582 3.023 3.981 . 0 0 "[ . 1 . 2]" 1
939 1 52 LEU HB3 1 53 ALA H . . 3.790 3.576 3.400 3.782 . 0 0 "[ . 1 . 2]" 1
940 1 52 LEU HB3 1 93 PHE QD . . 7.630 3.339 2.796 4.144 . 0 0 "[ . 1 . 2]" 1
941 1 52 LEU HB3 1 93 PHE QE . . 7.630 2.457 2.041 2.877 . 0 0 "[ . 1 . 2]" 1
942 1 52 LEU HB3 1 97 LEU QD . . 6.520 3.444 2.880 3.833 . 0 0 "[ . 1 . 2]" 1
943 1 52 LEU QD 1 53 ALA H . . 6.050 4.077 3.978 4.189 . 0 0 "[ . 1 . 2]" 1
944 1 52 LEU QD 1 55 ALA MB . . 7.540 3.605 3.055 3.952 . 0 0 "[ . 1 . 2]" 1
945 1 52 LEU QD 1 96 SER H . . 6.520 5.392 4.436 6.494 . 0 0 "[ . 1 . 2]" 1
946 1 52 LEU QD 1 96 SER HB2 . . 6.520 3.692 2.340 4.514 . 0 0 "[ . 1 . 2]" 1
947 1 52 LEU QD 1 96 SER QB . . 6.180 3.052 2.227 3.933 . 0 0 "[ . 1 . 2]" 1
948 1 52 LEU QD 1 96 SER HB3 . . 6.520 3.331 2.337 4.330 . 0 0 "[ . 1 . 2]" 1
949 1 52 LEU QD 1 97 LEU H . . 5.870 4.310 3.575 5.175 . 0 0 "[ . 1 . 2]" 1
950 1 52 LEU QD 1 97 LEU HA . . 6.520 3.237 2.326 4.394 . 0 0 "[ . 1 . 2]" 1
951 1 52 LEU QD 1 98 ARG H . . 6.520 5.796 4.931 6.812 0.292 10 0 "[ . 1 . 2]" 1
952 1 52 LEU QD 1 99 SER QB . . 6.520 5.795 4.671 7.085 0.565 7 1 "[ . + 1 . 2]" 1
953 1 52 LEU QD 1 100 LEU H . . 6.520 5.154 3.981 6.144 . 0 0 "[ . 1 . 2]" 1
954 1 52 LEU QD 1 100 LEU QB . . 6.720 3.330 2.276 4.377 . 0 0 "[ . 1 . 2]" 1
955 1 52 LEU QD 1 100 LEU HG . . 5.840 4.357 3.629 5.861 0.021 6 0 "[ . 1 . 2]" 1
956 1 52 LEU HG 1 53 ALA H . . 4.570 4.381 4.250 4.589 0.019 17 0 "[ . 1 . 2]" 1
957 1 52 LEU HG 1 93 PHE QD . . 7.630 6.201 5.689 6.895 . 0 0 "[ . 1 . 2]" 1
958 1 52 LEU HG 1 97 LEU QD . . 6.520 4.420 4.114 5.026 . 0 0 "[ . 1 . 2]" 1
959 1 53 ALA H 1 53 ALA MB . . 3.420 2.236 2.226 2.243 . 0 0 "[ . 1 . 2]" 1
960 1 53 ALA H 1 54 ALA H . . 3.580 2.683 2.582 2.746 . 0 0 "[ . 1 . 2]" 1
961 1 53 ALA H 1 54 ALA MB . . 6.520 4.360 4.261 4.442 . 0 0 "[ . 1 . 2]" 1
962 1 53 ALA H 1 55 ALA H . . 4.940 4.170 3.931 4.344 . 0 0 "[ . 1 . 2]" 1
963 1 53 ALA H 1 82 PHE QD . . 7.290 5.722 5.146 6.330 . 0 0 "[ . 1 . 2]" 1
964 1 53 ALA H 1 93 PHE QE . . 7.110 2.859 2.310 3.411 . 0 0 "[ . 1 . 2]" 1
965 1 53 ALA H 1 97 LEU QD . . 6.520 5.241 4.829 5.555 . 0 0 "[ . 1 . 2]" 1
966 1 53 ALA HA 1 55 ALA H . . 4.760 4.309 4.106 4.627 . 0 0 "[ . 1 . 2]" 1
967 1 53 ALA HA 1 56 ALA H . . 4.170 3.435 3.168 3.707 . 0 0 "[ . 1 . 2]" 1
968 1 53 ALA HA 1 56 ALA MB . . 5.840 2.635 2.150 3.041 . 0 0 "[ . 1 . 2]" 1
969 1 53 ALA HA 1 57 SER H . . 5.500 3.898 3.465 4.663 . 0 0 "[ . 1 . 2]" 1
970 1 53 ALA HA 1 84 PHE QD . . 7.630 5.297 4.779 5.930 . 0 0 "[ . 1 . 2]" 1
971 1 53 ALA HA 1 84 PHE QE . . 7.570 3.153 2.809 3.759 . 0 0 "[ . 1 . 2]" 1
972 1 53 ALA HA 1 84 PHE HZ . . 5.500 3.573 2.275 4.822 . 0 0 "[ . 1 . 2]" 1
973 1 53 ALA HA 1 93 PHE QD . . 6.980 3.208 2.680 3.731 . 0 0 "[ . 1 . 2]" 1
974 1 53 ALA MB 1 54 ALA H . . 3.700 2.587 2.458 2.708 . 0 0 "[ . 1 . 2]" 1
975 1 53 ALA MB 1 54 ALA HA . . 5.960 3.830 3.768 3.901 . 0 0 "[ . 1 . 2]" 1
976 1 53 ALA MB 1 55 ALA H . . 5.930 4.507 4.370 4.666 . 0 0 "[ . 1 . 2]" 1
977 1 53 ALA MB 1 56 ALA H . . 6.520 4.579 4.411 4.761 . 0 0 "[ . 1 . 2]" 1
978 1 53 ALA MB 1 56 ALA MB . . 7.540 3.938 3.520 4.330 . 0 0 "[ . 1 . 2]" 1
979 1 53 ALA MB 1 57 SER H . . 6.520 4.531 4.091 5.127 . 0 0 "[ . 1 . 2]" 1
980 1 53 ALA MB 1 57 SER HB2 . . 6.520 5.039 3.956 5.799 . 0 0 "[ . 1 . 2]" 1
981 1 53 ALA MB 1 57 SER HB3 . . 6.520 4.857 4.164 6.838 0.318 12 0 "[ . 1 . 2]" 1
982 1 53 ALA MB 1 63 ALA H . . 6.460 3.925 2.355 6.228 . 0 0 "[ . 1 . 2]" 1
983 1 53 ALA MB 1 63 ALA MB . . 7.540 3.154 2.028 5.416 . 0 0 "[ . 1 . 2]" 1
984 1 53 ALA MB 1 65 VAL HB . . 6.520 4.218 3.355 5.041 . 0 0 "[ . 1 . 2]" 1
985 1 53 ALA MB 1 65 VAL QG . . 7.540 3.929 3.362 4.568 . 0 0 "[ . 1 . 2]" 1
986 1 53 ALA MB 1 82 PHE HA . . 6.520 5.379 4.784 5.998 . 0 0 "[ . 1 . 2]" 1
987 1 53 ALA MB 1 82 PHE HB2 . . 6.520 5.106 4.509 5.987 . 0 0 "[ . 1 . 2]" 1
988 1 53 ALA MB 1 82 PHE HB3 . . 6.520 4.149 3.357 4.925 . 0 0 "[ . 1 . 2]" 1
989 1 53 ALA MB 1 82 PHE QD . . 6.880 2.863 2.334 3.385 . 0 0 "[ . 1 . 2]" 1
990 1 53 ALA MB 1 82 PHE QE . . 8.650 2.605 1.958 3.220 . 0 0 "[ . 1 . 2]" 1
991 1 53 ALA MB 1 84 PHE QD . . 8.650 4.923 4.210 5.635 . 0 0 "[ . 1 . 2]" 1
992 1 53 ALA MB 1 84 PHE QE . . 8.650 3.384 2.357 4.178 . 0 0 "[ . 1 . 2]" 1
993 1 53 ALA MB 1 84 PHE HZ . . 6.520 3.691 2.599 4.695 . 0 0 "[ . 1 . 2]" 1
994 1 53 ALA MB 1 97 LEU QD . . 7.540 4.957 4.604 5.357 . 0 0 "[ . 1 . 2]" 1
995 1 54 ALA H 1 54 ALA MB . . 3.480 2.238 2.223 2.256 . 0 0 "[ . 1 . 2]" 1
996 1 54 ALA H 1 55 ALA H . . 3.580 2.628 2.466 2.738 . 0 0 "[ . 1 . 2]" 1
997 1 54 ALA H 1 55 ALA HA . . 5.380 5.251 5.111 5.341 . 0 0 "[ . 1 . 2]" 1
998 1 54 ALA H 1 56 ALA H . . 5.310 4.024 3.851 4.290 . 0 0 "[ . 1 . 2]" 1
999 1 54 ALA HA 1 55 ALA H . . 3.520 3.515 3.486 3.542 0.022 10 0 "[ . 1 . 2]" 1
1000 1 54 ALA HA 1 57 SER H . . 4.540 3.968 3.600 4.301 . 0 0 "[ . 1 . 2]" 1
1001 1 54 ALA HA 1 57 SER QB . . 6.380 4.302 3.132 5.450 . 0 0 "[ . 1 . 2]" 1
1002 1 54 ALA HA 1 63 ALA MB . . 6.520 5.222 2.340 6.429 . 0 0 "[ . 1 . 2]" 1
1003 1 54 ALA MB 1 55 ALA H . . 3.880 2.643 2.448 2.791 . 0 0 "[ . 1 . 2]" 1
1004 1 54 ALA MB 1 57 SER H . . 6.520 4.997 4.578 5.268 . 0 0 "[ . 1 . 2]" 1
1005 1 54 ALA MB 1 62 GLY QA . . 7.060 4.109 2.744 8.113 1.053 2 1 "[ + . 1 . 2]" 1
1006 1 55 ALA H 1 55 ALA MB . . 3.600 2.264 2.228 2.288 . 0 0 "[ . 1 . 2]" 1
1007 1 55 ALA H 1 56 ALA H . . 3.270 2.428 2.305 2.640 . 0 0 "[ . 1 . 2]" 1
1008 1 55 ALA H 1 56 ALA MB . . 6.520 4.135 4.005 4.360 . 0 0 "[ . 1 . 2]" 1
1009 1 55 ALA H 1 57 SER H . . 4.380 4.207 3.973 4.406 0.026 5 0 "[ . 1 . 2]" 1
1010 1 55 ALA MB 1 57 SER H . . 5.220 4.705 4.332 4.915 . 0 0 "[ . 1 . 2]" 1
1011 1 56 ALA H 1 56 ALA MB . . 3.570 2.251 2.221 2.280 . 0 0 "[ . 1 . 2]" 1
1012 1 56 ALA H 1 92 ILE MD . . 5.280 4.746 4.244 5.334 0.054 13 0 "[ . 1 . 2]" 1
1013 1 56 ALA HA 1 89 GLU QB . . 6.380 4.824 4.137 5.488 . 0 0 "[ . 1 . 2]" 1
1014 1 56 ALA HA 1 92 ILE HB . . 5.500 5.264 4.531 5.561 0.061 4 0 "[ . 1 . 2]" 1
1015 1 56 ALA HA 1 92 ILE MD . . 6.520 2.585 1.988 3.018 . 0 0 "[ . 1 . 2]" 1
1016 1 56 ALA HA 1 92 ILE MG . . 6.520 5.693 5.118 6.114 . 0 0 "[ . 1 . 2]" 1
1017 1 56 ALA MB 1 57 SER H . . 3.980 2.543 2.267 3.275 . 0 0 "[ . 1 . 2]" 1
1018 1 56 ALA MB 1 57 SER HA . . 6.520 3.873 3.682 4.092 . 0 0 "[ . 1 . 2]" 1
1019 1 56 ALA MB 1 57 SER HB2 . . 6.520 4.472 3.658 5.458 . 0 0 "[ . 1 . 2]" 1
1020 1 56 ALA MB 1 57 SER HB3 . . 6.520 4.219 3.582 5.056 . 0 0 "[ . 1 . 2]" 1
1021 1 56 ALA MB 1 84 PHE QD . . 8.650 4.085 2.945 4.674 . 0 0 "[ . 1 . 2]" 1
1022 1 56 ALA MB 1 84 PHE QE . . 7.840 2.759 2.035 3.509 . 0 0 "[ . 1 . 2]" 1
1023 1 56 ALA MB 1 84 PHE HZ . . 6.520 3.644 2.863 4.597 . 0 0 "[ . 1 . 2]" 1
1024 1 56 ALA MB 1 89 GLU H . . 6.520 5.990 5.576 6.493 . 0 0 "[ . 1 . 2]" 1
1025 1 56 ALA MB 1 89 GLU HA . . 6.330 3.766 3.257 4.239 . 0 0 "[ . 1 . 2]" 1
1026 1 56 ALA MB 1 89 GLU QB . . 7.400 3.438 2.911 3.978 . 0 0 "[ . 1 . 2]" 1
1027 1 56 ALA MB 1 90 MET HA . . 6.520 4.927 4.275 5.883 . 0 0 "[ . 1 . 2]" 1
1028 1 56 ALA MB 1 92 ILE H . . 6.050 5.248 4.773 5.822 . 0 0 "[ . 1 . 2]" 1
1029 1 56 ALA MB 1 92 ILE HA . . 6.520 5.771 5.165 6.323 . 0 0 "[ . 1 . 2]" 1
1030 1 56 ALA MB 1 92 ILE HB . . 5.460 4.614 3.965 5.361 . 0 0 "[ . 1 . 2]" 1
1031 1 56 ALA MB 1 92 ILE MD . . 7.540 2.342 1.745 2.911 . 0 0 "[ . 1 . 2]" 1
1032 1 56 ALA MB 1 92 ILE MG . . 7.540 5.018 4.493 5.548 . 0 0 "[ . 1 . 2]" 1
1033 1 56 ALA MB 1 93 PHE H . . 4.100 3.755 3.294 4.374 0.274 19 0 "[ . 1 . 2]" 1
1034 1 56 ALA MB 1 93 PHE HA . . 5.090 3.016 2.582 3.493 . 0 0 "[ . 1 . 2]" 1
1035 1 56 ALA MB 1 93 PHE HB2 . . 5.530 2.536 1.852 3.202 . 0 0 "[ . 1 . 2]" 1
1036 1 56 ALA MB 1 93 PHE QB . . 5.090 2.507 1.843 3.143 . 0 0 "[ . 1 . 2]" 1
1037 1 56 ALA MB 1 93 PHE HB3 . . 5.530 3.983 3.371 4.581 . 0 0 "[ . 1 . 2]" 1
1038 1 56 ALA MB 1 93 PHE QD . . 8.310 2.176 1.788 2.903 . 0 0 "[ . 1 . 2]" 1
1039 1 56 ALA MB 1 94 GLU H . . 6.520 5.397 4.984 5.908 . 0 0 "[ . 1 . 2]" 1
1040 1 57 SER H 1 57 SER HB2 . . 4.040 3.131 2.397 3.722 . 0 0 "[ . 1 . 2]" 1
1041 1 57 SER H 1 57 SER QB . . 3.700 2.571 2.266 2.970 . 0 0 "[ . 1 . 2]" 1
1042 1 57 SER H 1 57 SER HB3 . . 4.040 2.933 2.444 3.732 . 0 0 "[ . 1 . 2]" 1
1043 1 57 SER H 1 58 SER H . . 4.450 3.696 1.954 4.557 0.107 3 0 "[ . 1 . 2]" 1
1044 1 57 SER H 1 63 ALA MB . . 5.810 4.833 4.058 6.112 0.302 12 0 "[ . 1 . 2]" 1
1045 1 57 SER H 1 84 PHE QE . . 7.630 3.613 2.623 4.503 . 0 0 "[ . 1 . 2]" 1
1046 1 57 SER H 1 89 GLU QB . . 6.380 4.398 3.776 5.747 . 0 0 "[ . 1 . 2]" 1
1047 1 57 SER H 1 92 ILE MD . . 6.520 4.739 4.356 5.297 . 0 0 "[ . 1 . 2]" 1
1048 1 57 SER HA 1 58 SER H . . 3.360 2.610 2.103 3.526 0.166 11 0 "[ . 1 . 2]" 1
1049 1 57 SER HA 1 59 ALA H . . 4.970 3.892 3.255 4.987 0.017 1 0 "[ . 1 . 2]" 1
1050 1 57 SER HA 1 63 ALA MB . . 6.520 4.952 3.368 5.956 . 0 0 "[ . 1 . 2]" 1
1051 1 57 SER HA 1 89 GLU QG . . 6.380 3.308 2.357 5.050 . 0 0 "[ . 1 . 2]" 1
1052 1 57 SER QB 1 63 ALA MB . . 5.800 2.792 2.228 3.790 . 0 0 "[ . 1 . 2]" 1
1053 1 57 SER HB2 1 58 SER H . . 4.720 3.375 2.289 4.378 . 0 0 "[ . 1 . 2]" 1
1054 1 57 SER HB2 1 63 ALA H . . 5.500 4.744 2.948 5.555 0.055 10 0 "[ . 1 . 2]" 1
1055 1 57 SER HB2 1 63 ALA MB . . 6.020 3.209 2.298 4.350 . 0 0 "[ . 1 . 2]" 1
1056 1 57 SER HB2 1 84 PHE HA . . 5.500 4.575 3.566 5.568 0.068 2 0 "[ . 1 . 2]" 1
1057 1 57 SER HB2 1 84 PHE QD . . 7.630 2.860 1.871 4.168 . 0 0 "[ . 1 . 2]" 1
1058 1 57 SER HB2 1 84 PHE QE . . 7.630 3.683 2.250 5.486 . 0 0 "[ . 1 . 2]" 1
1059 1 57 SER HB3 1 58 SER H . . 4.720 3.838 2.082 4.363 . 0 0 "[ . 1 . 2]" 1
1060 1 57 SER HB3 1 63 ALA H . . 5.500 4.710 2.648 5.566 0.066 17 0 "[ . 1 . 2]" 1
1061 1 57 SER HB3 1 63 ALA MB . . 6.020 3.233 2.467 4.324 . 0 0 "[ . 1 . 2]" 1
1062 1 57 SER HB3 1 84 PHE HA . . 5.500 4.770 3.795 5.508 0.008 4 0 "[ . 1 . 2]" 1
1063 1 57 SER HB3 1 84 PHE QD . . 7.630 2.908 1.454 4.145 . 0 0 "[ . 1 . 2]" 1
1064 1 57 SER HB3 1 84 PHE QE . . 7.630 3.460 2.179 6.033 . 0 0 "[ . 1 . 2]" 1
1065 1 58 SER H 1 59 ALA H . . 3.520 2.834 1.745 3.744 0.224 8 0 "[ . 1 . 2]" 1
1066 1 58 SER H 1 59 ALA MB . . 5.190 4.184 3.441 4.712 . 0 0 "[ . 1 . 2]" 1
1067 1 58 SER H 1 63 ALA MB . . 6.360 5.693 4.115 6.841 0.481 12 0 "[ . 1 . 2]" 1
1068 1 58 SER H 1 89 GLU QB . . 6.380 4.441 2.452 6.075 . 0 0 "[ . 1 . 2]" 1
1069 1 58 SER QB 1 59 ALA H . . 4.140 3.218 1.711 3.895 . 0 0 "[ . 1 . 2]" 1
1070 1 58 SER QB 1 60 ASP H . . 5.640 4.637 2.690 5.872 0.232 11 0 "[ . 1 . 2]" 1
1071 1 58 SER HB2 1 59 ALA H . . 4.350 3.398 1.723 4.386 0.036 16 0 "[ . 1 . 2]" 1
1072 1 58 SER HB2 1 59 ALA MB . . 6.520 4.595 3.657 5.222 . 0 0 "[ . 1 . 2]" 1
1073 1 58 SER HB3 1 59 ALA H . . 4.350 4.116 2.890 4.467 0.117 7 0 "[ . 1 . 2]" 1
1074 1 58 SER HB3 1 59 ALA MB . . 6.520 5.287 4.798 5.668 . 0 0 "[ . 1 . 2]" 1
1075 1 59 ALA H 1 59 ALA MB . . 3.420 2.398 2.216 2.953 . 0 0 "[ . 1 . 2]" 1
1076 1 59 ALA H 1 60 ASP H . . 4.140 2.978 1.807 4.521 0.381 1 0 "[ . 1 . 2]" 1
1077 1 59 ALA HA 1 60 ASP H . . 3.550 3.184 2.135 3.589 0.039 14 0 "[ . 1 . 2]" 1
1078 1 59 ALA HA 1 60 ASP QB . . 6.380 4.245 3.865 5.034 . 0 0 "[ . 1 . 2]" 1
1079 1 59 ALA HA 1 63 ALA MB . . 6.520 6.726 3.630 8.460 1.940 4 8 "[-**+. * * * *. 2]" 1
1080 1 59 ALA MB 1 60 ASP H . . 4.190 2.896 1.773 3.685 . 0 0 "[ . 1 . 2]" 1
1081 1 59 ALA MB 1 60 ASP HA . . 6.520 4.577 3.976 5.085 . 0 0 "[ . 1 . 2]" 1
1082 1 59 ALA MB 1 61 GLU H . . 4.440 3.589 2.782 4.426 . 0 0 "[ . 1 . 2]" 1
1083 1 59 ALA MB 1 62 GLY H . . 4.470 3.087 1.953 4.455 . 0 0 "[ . 1 . 2]" 1
1084 1 59 ALA MB 1 62 GLY QA . . 7.150 3.607 1.727 5.168 . 0 0 "[ . 1 . 2]" 1
1085 1 59 ALA MB 1 63 ALA H . . 6.210 4.525 1.938 6.609 0.399 14 0 "[ . 1 . 2]" 1
1086 1 60 ASP H 1 60 ASP QB . . 3.860 3.039 2.221 3.421 . 0 0 "[ . 1 . 2]" 1
1087 1 60 ASP HA 1 62 GLY H . . 4.660 4.388 3.682 4.899 0.239 14 0 "[ . 1 . 2]" 1
1088 1 60 ASP HB2 1 61 GLU H . . 4.140 2.913 1.909 4.114 . 0 0 "[ . 1 . 2]" 1
1089 1 60 ASP HB3 1 61 GLU H . . 4.140 2.680 1.769 3.535 . 0 0 "[ . 1 . 2]" 1
1090 1 61 GLU H 1 61 GLU HB2 . . 3.830 2.740 2.386 3.800 . 0 0 "[ . 1 . 2]" 1
1091 1 61 GLU H 1 61 GLU QB . . 3.650 2.496 2.236 3.005 . 0 0 "[ . 1 . 2]" 1
1092 1 61 GLU H 1 61 GLU HB3 . . 3.830 3.218 2.446 3.838 0.008 2 0 "[ . 1 . 2]" 1
1093 1 61 GLU H 1 61 GLU HG2 . . 4.690 3.668 2.014 4.607 . 0 0 "[ . 1 . 2]" 1
1094 1 61 GLU H 1 61 GLU HG3 . . 4.690 3.399 2.046 4.744 0.054 14 0 "[ . 1 . 2]" 1
1095 1 61 GLU H 1 62 GLY H . . 3.790 2.350 1.520 2.911 . 0 0 "[ . 1 . 2]" 1
1096 1 61 GLU HA 1 62 GLY H . . 3.520 3.290 2.892 3.536 0.016 3 0 "[ . 1 . 2]" 1
1097 1 61 GLU HB2 1 62 GLY H . . 4.820 3.673 2.224 4.487 . 0 0 "[ . 1 . 2]" 1
1098 1 61 GLU HB3 1 62 GLY H . . 4.820 3.805 2.685 4.538 . 0 0 "[ . 1 . 2]" 1
1099 1 61 GLU HG2 1 62 GLY H . . 5.500 4.659 3.919 5.318 . 0 0 "[ . 1 . 2]" 1
1100 1 61 GLU HG3 1 62 GLY H . . 5.500 4.651 3.695 5.174 . 0 0 "[ . 1 . 2]" 1
1101 1 62 GLY H 1 63 ALA MB . . 6.520 5.075 4.323 5.721 . 0 0 "[ . 1 . 2]" 1
1102 1 62 GLY QA 1 63 ALA MB . . 7.400 3.698 3.512 4.127 . 0 0 "[ . 1 . 2]" 1
1103 1 63 ALA H 1 63 ALA MB . . 3.480 2.520 2.230 2.902 . 0 0 "[ . 1 . 2]" 1
1104 1 63 ALA H 1 64 SER H . . 4.910 4.456 3.901 4.632 . 0 0 "[ . 1 . 2]" 1
1105 1 63 ALA H 1 65 VAL QG . . 6.520 4.789 3.963 6.516 . 0 0 "[ . 1 . 2]" 1
1106 1 63 ALA HA 1 64 SER H . . 3.210 2.425 2.144 2.814 . 0 0 "[ . 1 . 2]" 1
1107 1 63 ALA HA 1 83 THR H . . 5.500 5.431 4.487 5.657 0.157 5 0 "[ . 1 . 2]" 1
1108 1 63 ALA MB 1 64 SER H . . 3.600 2.415 1.836 3.181 . 0 0 "[ . 1 . 2]" 1
1109 1 63 ALA MB 1 64 SER HB2 . . 6.520 4.244 3.690 5.263 . 0 0 "[ . 1 . 2]" 1
1110 1 63 ALA MB 1 64 SER HB3 . . 6.520 5.277 4.885 5.843 . 0 0 "[ . 1 . 2]" 1
1111 1 63 ALA MB 1 82 PHE HB2 . . 6.520 4.846 3.495 7.393 0.873 10 1 "[ . + . 2]" 1
1112 1 63 ALA MB 1 82 PHE HB3 . . 6.520 3.414 2.129 5.930 . 0 0 "[ . 1 . 2]" 1
1113 1 63 ALA MB 1 82 PHE QD . . 8.650 3.177 2.149 5.929 . 0 0 "[ . 1 . 2]" 1
1114 1 63 ALA MB 1 83 THR H . . 4.720 3.627 2.926 5.661 0.941 10 1 "[ . + . 2]" 1
1115 1 63 ALA MB 1 84 PHE HA . . 6.520 2.815 2.053 5.588 . 0 0 "[ . 1 . 2]" 1
1116 1 63 ALA MB 1 84 PHE QB . . 7.400 4.040 3.431 6.401 . 0 0 "[ . 1 . 2]" 1
1117 1 63 ALA MB 1 84 PHE QD . . 8.590 2.938 2.303 5.044 . 0 0 "[ . 1 . 2]" 1
1118 1 63 ALA MB 1 84 PHE QE . . 8.650 3.238 2.475 5.505 . 0 0 "[ . 1 . 2]" 1
1119 1 63 ALA MB 1 84 PHE HZ . . 6.520 4.353 3.324 6.712 0.192 12 0 "[ . 1 . 2]" 1
1120 1 63 ALA MB 1 85 SER H . . 6.430 4.398 3.257 6.641 0.211 10 0 "[ . 1 . 2]" 1
1121 1 64 SER H 1 65 VAL H . . 5.410 4.321 4.094 4.609 . 0 0 "[ . 1 . 2]" 1
1122 1 64 SER H 1 83 THR H . . 3.860 3.514 3.085 3.899 0.039 12 0 "[ . 1 . 2]" 1
1123 1 64 SER H 1 83 THR HB . . 4.540 3.254 2.036 3.999 . 0 0 "[ . 1 . 2]" 1
1124 1 64 SER H 1 83 THR MG . . 6.050 4.226 3.167 5.001 . 0 0 "[ . 1 . 2]" 1
1125 1 64 SER HA 1 65 VAL H . . 2.830 2.181 2.114 2.270 . 0 0 "[ . 1 . 2]" 1
1126 1 64 SER HA 1 65 VAL QG . . 6.490 3.622 3.398 3.747 . 0 0 "[ . 1 . 2]" 1
1127 1 64 SER HA 1 83 THR H . . 5.440 4.583 4.392 4.736 . 0 0 "[ . 1 . 2]" 1
1128 1 64 SER QB 1 83 THR H . . 4.550 2.901 2.596 3.480 . 0 0 "[ . 1 . 2]" 1
1129 1 64 SER HB2 1 65 VAL H . . 5.500 4.356 3.972 4.486 . 0 0 "[ . 1 . 2]" 1
1130 1 64 SER HB2 1 65 VAL QG . . 6.520 5.332 5.143 5.424 . 0 0 "[ . 1 . 2]" 1
1131 1 64 SER HB2 1 66 ALA MB . . 6.520 5.594 5.122 6.116 . 0 0 "[ . 1 . 2]" 1
1132 1 64 SER HB2 1 82 PHE HA . . 5.500 4.786 4.261 5.148 . 0 0 "[ . 1 . 2]" 1
1133 1 64 SER HB2 1 83 THR MG . . 6.520 3.250 2.982 3.598 . 0 0 "[ . 1 . 2]" 1
1134 1 64 SER HB3 1 65 VAL H . . 5.500 3.688 3.006 4.050 . 0 0 "[ . 1 . 2]" 1
1135 1 64 SER HB3 1 65 VAL QG . . 6.520 4.959 4.623 5.161 . 0 0 "[ . 1 . 2]" 1
1136 1 64 SER HB3 1 66 ALA MB . . 6.520 4.809 3.986 5.251 . 0 0 "[ . 1 . 2]" 1
1137 1 64 SER HB3 1 82 PHE HA . . 5.500 5.536 5.111 5.618 0.118 6 0 "[ . 1 . 2]" 1
1138 1 64 SER HB3 1 83 THR MG . . 6.520 4.337 3.842 4.933 . 0 0 "[ . 1 . 2]" 1
1139 1 65 VAL H 1 65 VAL HB . . 3.300 3.111 2.963 3.333 0.033 1 0 "[ . 1 . 2]" 1
1140 1 65 VAL H 1 65 VAL QG . . 4.190 2.013 1.891 2.223 . 0 0 "[ . 1 . 2]" 1
1141 1 65 VAL H 1 66 ALA H . . 4.260 4.242 4.072 4.317 0.057 8 0 "[ . 1 . 2]" 1
1142 1 65 VAL H 1 66 ALA MB . . 6.520 4.910 4.405 5.232 . 0 0 "[ . 1 . 2]" 1
1143 1 65 VAL HA 1 66 ALA H . . 2.900 2.101 2.084 2.115 . 0 0 "[ . 1 . 2]" 1
1144 1 65 VAL HA 1 66 ALA MB . . 6.330 4.047 4.006 4.081 . 0 0 "[ . 1 . 2]" 1
1145 1 65 VAL HA 1 81 ALA H . . 5.470 4.421 3.818 4.790 . 0 0 "[ . 1 . 2]" 1
1146 1 65 VAL HA 1 82 PHE H . . 5.500 4.774 4.331 5.104 . 0 0 "[ . 1 . 2]" 1
1147 1 65 VAL HA 1 82 PHE HA . . 3.480 2.466 2.189 2.711 . 0 0 "[ . 1 . 2]" 1
1148 1 65 VAL HA 1 82 PHE QD . . 7.630 3.744 3.357 4.207 . 0 0 "[ . 1 . 2]" 1
1149 1 65 VAL HA 1 83 THR H . . 4.230 3.470 3.106 4.058 . 0 0 "[ . 1 . 2]" 1
1150 1 65 VAL HB 1 66 ALA H . . 5.250 4.250 4.177 4.283 . 0 0 "[ . 1 . 2]" 1
1151 1 65 VAL HB 1 82 PHE HA . . 5.380 3.664 2.652 4.279 . 0 0 "[ . 1 . 2]" 1
1152 1 65 VAL HB 1 82 PHE QB . . 6.380 4.427 3.614 4.720 . 0 0 "[ . 1 . 2]" 1
1153 1 65 VAL HB 1 82 PHE QD . . 7.630 2.755 2.366 3.107 . 0 0 "[ . 1 . 2]" 1
1154 1 65 VAL HB 1 83 THR H . . 5.500 4.858 4.238 5.504 0.004 15 0 "[ . 1 . 2]" 1
1155 1 65 VAL QG 1 66 ALA H . . 4.160 2.886 2.746 2.958 . 0 0 "[ . 1 . 2]" 1
1156 1 65 VAL QG 1 67 TYR H . . 5.740 3.287 2.931 4.170 . 0 0 "[ . 1 . 2]" 1
1157 1 65 VAL QG 1 67 TYR QD . . 7.750 2.219 1.488 3.327 . 0 0 "[ . 1 . 2]" 1
1158 1 65 VAL QG 1 67 TYR QE . . 8.650 3.373 1.997 4.683 . 0 0 "[ . 1 . 2]" 1
1159 1 65 VAL QG 1 80 ALA HA . . 6.520 3.965 3.071 4.851 . 0 0 "[ . 1 . 2]" 1
1160 1 65 VAL QG 1 80 ALA MB . . 7.540 2.996 2.070 4.463 . 0 0 "[ . 1 . 2]" 1
1161 1 65 VAL QG 1 81 ALA H . . 6.520 3.559 2.294 4.323 . 0 0 "[ . 1 . 2]" 1
1162 1 65 VAL QG 1 82 PHE HA . . 6.520 3.537 2.999 3.964 . 0 0 "[ . 1 . 2]" 1
1163 1 65 VAL QG 1 82 PHE QB . . 7.400 4.242 3.809 4.436 . 0 0 "[ . 1 . 2]" 1
1164 1 65 VAL QG 1 82 PHE QD . . 7.660 3.178 2.529 3.402 . 0 0 "[ . 1 . 2]" 1
1165 1 66 ALA H 1 66 ALA MB . . 3.540 2.432 2.315 2.604 . 0 0 "[ . 1 . 2]" 1
1166 1 66 ALA H 1 67 TYR H . . 4.850 4.132 3.892 4.394 . 0 0 "[ . 1 . 2]" 1
1167 1 66 ALA H 1 67 TYR HA . . 5.500 4.769 4.530 4.913 . 0 0 "[ . 1 . 2]" 1
1168 1 66 ALA H 1 81 ALA H . . 3.700 3.144 2.821 3.331 . 0 0 "[ . 1 . 2]" 1
1169 1 66 ALA H 1 81 ALA MB . . 6.180 3.012 2.619 3.636 . 0 0 "[ . 1 . 2]" 1
1170 1 66 ALA HA 1 67 TYR H . . 2.990 2.195 2.150 2.271 . 0 0 "[ . 1 . 2]" 1
1171 1 66 ALA HA 1 67 TYR QD . . 7.630 3.726 3.200 4.133 . 0 0 "[ . 1 . 2]" 1
1172 1 66 ALA HA 1 81 ALA H . . 5.500 4.744 4.389 5.022 . 0 0 "[ . 1 . 2]" 1
1173 1 66 ALA MB 1 67 TYR H . . 4.160 3.364 2.842 3.515 . 0 0 "[ . 1 . 2]" 1
1174 1 66 ALA MB 1 67 TYR HA . . 6.520 4.163 3.896 4.282 . 0 0 "[ . 1 . 2]" 1
1175 1 66 ALA MB 1 80 ALA HA . . 6.360 4.889 4.034 5.296 . 0 0 "[ . 1 . 2]" 1
1176 1 66 ALA MB 1 81 ALA H . . 5.400 3.562 2.645 4.012 . 0 0 "[ . 1 . 2]" 1
1177 1 66 ALA MB 1 82 PHE H . . 6.520 5.743 5.387 6.198 . 0 0 "[ . 1 . 2]" 1
1178 1 67 TYR H 1 68 LYS H . . 4.660 4.427 4.296 4.525 . 0 0 "[ . 1 . 2]" 1
1179 1 67 TYR H 1 80 ALA HA . . 5.380 4.603 4.117 5.413 0.033 17 0 "[ . 1 . 2]" 1
1180 1 67 TYR HA 1 68 LYS H . . 3.110 2.208 2.106 2.330 . 0 0 "[ . 1 . 2]" 1
1181 1 67 TYR HA 1 68 LYS QB . . 6.380 4.276 4.125 4.409 . 0 0 "[ . 1 . 2]" 1
1182 1 67 TYR HA 1 78 LEU MD2 . . 6.520 4.729 4.223 5.312 . 0 0 "[ . 1 . 2]" 1
1183 1 67 TYR HA 1 79 ASP H . . 4.910 4.759 4.354 4.951 0.041 16 0 "[ . 1 . 2]" 1
1184 1 67 TYR HA 1 79 ASP QB . . 6.380 4.469 3.879 5.139 . 0 0 "[ . 1 . 2]" 1
1185 1 67 TYR HA 1 80 ALA H . . 5.500 4.634 4.351 4.984 . 0 0 "[ . 1 . 2]" 1
1186 1 67 TYR HA 1 80 ALA HA . . 3.140 2.147 1.684 2.798 . 0 0 "[ . 1 . 2]" 1
1187 1 67 TYR HA 1 80 ALA MB . . 5.120 3.518 2.847 4.312 . 0 0 "[ . 1 . 2]" 1
1188 1 67 TYR HA 1 81 ALA H . . 3.950 3.112 2.609 3.696 . 0 0 "[ . 1 . 2]" 1
1189 1 67 TYR QB 1 78 LEU MD2 . . 5.910 3.165 2.481 3.805 . 0 0 "[ . 1 . 2]" 1
1190 1 67 TYR QB 1 79 ASP H . . 6.380 4.297 3.803 5.269 . 0 0 "[ . 1 . 2]" 1
1191 1 67 TYR QB 1 80 ALA H . . 6.380 4.665 4.033 5.781 . 0 0 "[ . 1 . 2]" 1
1192 1 67 TYR QB 1 80 ALA HA . . 6.380 2.687 2.016 3.813 . 0 0 "[ . 1 . 2]" 1
1193 1 67 TYR QB 1 81 ALA H . . 5.170 3.732 3.166 4.873 . 0 0 "[ . 1 . 2]" 1
1194 1 67 TYR HB2 1 68 LYS H . . 5.220 2.909 2.526 3.511 . 0 0 "[ . 1 . 2]" 1
1195 1 67 TYR HB3 1 68 LYS H . . 5.220 4.033 3.817 4.218 . 0 0 "[ . 1 . 2]" 1
1196 1 67 TYR QD 1 68 LYS H . . 6.880 3.792 3.137 4.691 . 0 0 "[ . 1 . 2]" 1
1197 1 67 TYR QD 1 68 LYS HA . . 7.630 3.796 3.338 4.195 . 0 0 "[ . 1 . 2]" 1
1198 1 67 TYR QD 1 69 ILE H . . 7.630 4.595 3.870 5.663 . 0 0 "[ . 1 . 2]" 1
1199 1 67 TYR QD 1 69 ILE MD . . 8.650 3.397 2.339 4.823 . 0 0 "[ . 1 . 2]" 1
1200 1 67 TYR QD 1 69 ILE HG12 . . 7.630 3.741 2.770 6.092 . 0 0 "[ . 1 . 2]" 1
1201 1 67 TYR QD 1 69 ILE HG13 . . 7.630 2.956 1.856 4.725 . 0 0 "[ . 1 . 2]" 1
1202 1 67 TYR QD 1 69 ILE MG . . 8.650 5.275 4.604 6.911 . 0 0 "[ . 1 . 2]" 1
1203 1 67 TYR QD 1 78 LEU HA . . 7.630 5.475 4.421 7.751 0.121 13 0 "[ . 1 . 2]" 1
1204 1 67 TYR QD 1 78 LEU MD1 . . 8.650 4.533 3.639 6.169 . 0 0 "[ . 1 . 2]" 1
1205 1 67 TYR QD 1 78 LEU MD2 . . 6.940 3.116 1.924 5.143 . 0 0 "[ . 1 . 2]" 1
1206 1 67 TYR QD 1 79 ASP H . . 7.630 5.027 3.968 6.988 . 0 0 "[ . 1 . 2]" 1
1207 1 67 TYR QD 1 80 ALA HA . . 7.630 4.700 4.170 5.344 . 0 0 "[ . 1 . 2]" 1
1208 1 67 TYR QE 1 68 LYS HA . . 7.630 5.033 4.246 6.100 . 0 0 "[ . 1 . 2]" 1
1209 1 67 TYR QE 1 69 ILE HB . . 7.630 5.342 3.787 8.238 0.608 13 1 "[ . 1 + . 2]" 1
1210 1 67 TYR QE 1 69 ILE MD . . 8.650 2.854 1.652 6.185 . 0 0 "[ . 1 . 2]" 1
1211 1 67 TYR QE 1 69 ILE QG . . 8.510 3.452 2.219 6.432 . 0 0 "[ . 1 . 2]" 1
1212 1 67 TYR QE 1 69 ILE MG . . 8.650 5.526 4.535 8.388 . 0 0 "[ . 1 . 2]" 1
1213 1 67 TYR QE 1 78 LEU MD2 . . 8.560 4.425 3.096 6.829 . 0 0 "[ . 1 . 2]" 1
1214 1 68 LYS H 1 68 LYS HB2 . . 4.040 3.103 2.463 3.963 . 0 0 "[ . 1 . 2]" 1
1215 1 68 LYS H 1 68 LYS HB3 . . 4.040 3.491 2.889 3.820 . 0 0 "[ . 1 . 2]" 1
1216 1 68 LYS H 1 68 LYS HG2 . . 4.260 3.569 2.359 4.327 0.067 8 0 "[ . 1 . 2]" 1
1217 1 68 LYS H 1 68 LYS QG . . 4.090 2.874 2.309 3.353 . 0 0 "[ . 1 . 2]" 1
1218 1 68 LYS H 1 68 LYS HG3 . . 4.260 3.327 2.758 4.346 0.086 14 0 "[ . 1 . 2]" 1
1219 1 68 LYS H 1 69 ILE H . . 5.470 4.375 4.274 4.463 . 0 0 "[ . 1 . 2]" 1
1220 1 68 LYS H 1 69 ILE QG . . 6.380 4.359 3.938 4.825 . 0 0 "[ . 1 . 2]" 1
1221 1 68 LYS H 1 78 LEU HA . . 4.970 4.852 4.522 4.999 0.029 13 0 "[ . 1 . 2]" 1
1222 1 68 LYS H 1 78 LEU MD2 . . 4.970 3.790 3.525 4.076 . 0 0 "[ . 1 . 2]" 1
1223 1 68 LYS H 1 79 ASP H . . 4.010 3.092 2.817 3.291 . 0 0 "[ . 1 . 2]" 1
1224 1 68 LYS H 1 79 ASP HA . . 5.380 4.630 4.442 4.919 . 0 0 "[ . 1 . 2]" 1
1225 1 68 LYS H 1 79 ASP HB2 . . 5.100 4.575 2.622 5.140 0.040 13 0 "[ . 1 . 2]" 1
1226 1 68 LYS H 1 79 ASP QB . . 4.490 3.036 2.556 3.544 . 0 0 "[ . 1 . 2]" 1
1227 1 68 LYS H 1 79 ASP HB3 . . 5.100 3.126 2.755 3.612 . 0 0 "[ . 1 . 2]" 1
1228 1 68 LYS H 1 80 ALA HA . . 4.230 3.479 2.973 3.883 . 0 0 "[ . 1 . 2]" 1
1229 1 68 LYS HA 1 69 ILE H . . 2.800 2.220 2.094 2.409 . 0 0 "[ . 1 . 2]" 1
1230 1 68 LYS HA 1 69 ILE HB . . 4.970 4.647 4.516 4.781 . 0 0 "[ . 1 . 2]" 1
1231 1 68 LYS HA 1 69 ILE MG . . 6.520 5.433 5.344 5.509 . 0 0 "[ . 1 . 2]" 1
1232 1 68 LYS HA 1 78 LEU MD2 . . 6.520 4.756 4.524 5.173 . 0 0 "[ . 1 . 2]" 1
1233 1 68 LYS QB 1 69 ILE H . . 3.870 2.701 2.224 2.983 . 0 0 "[ . 1 . 2]" 1
1234 1 68 LYS QB 1 79 ASP H . . 6.380 4.013 2.598 5.081 . 0 0 "[ . 1 . 2]" 1
1235 1 68 LYS QB 1 79 ASP QB . . 5.790 2.897 1.445 4.479 . 0 0 "[ . 1 . 2]" 1
1236 1 68 LYS HB2 1 69 ILE H . . 4.040 3.442 2.597 4.110 0.070 8 0 "[ . 1 . 2]" 1
1237 1 68 LYS HB2 1 79 ASP HB2 . . 7.140 4.682 1.451 7.027 . 0 0 "[ . 1 . 2]" 1
1238 1 68 LYS HB2 1 79 ASP HB3 . . 7.140 3.315 1.888 5.411 . 0 0 "[ . 1 . 2]" 1
1239 1 68 LYS HB3 1 69 ILE H . . 4.040 3.250 2.250 4.118 0.078 14 0 "[ . 1 . 2]" 1
1240 1 68 LYS HB3 1 79 ASP HB2 . . 7.140 5.381 3.092 6.861 . 0 0 "[ . 1 . 2]" 1
1241 1 68 LYS HB3 1 79 ASP HB3 . . 7.140 4.088 3.375 5.270 . 0 0 "[ . 1 . 2]" 1
1242 1 68 LYS QD 1 79 ASP QB . . 6.310 3.442 1.763 4.847 . 0 0 "[ . 1 . 2]" 1
1243 1 68 LYS HD2 1 79 ASP HB2 . . 7.270 5.120 3.020 7.347 0.077 11 0 "[ . 1 . 2]" 1
1244 1 68 LYS HD2 1 79 ASP HB3 . . 7.270 3.998 1.780 6.079 . 0 0 "[ . 1 . 2]" 1
1245 1 68 LYS HD3 1 79 ASP HB2 . . 7.270 5.588 3.285 7.286 0.016 9 0 "[ . 1 . 2]" 1
1246 1 68 LYS HD3 1 79 ASP HB3 . . 7.270 4.415 2.077 5.868 . 0 0 "[ . 1 . 2]" 1
1247 1 68 LYS QE 1 79 ASP QB . . 6.920 3.573 1.986 5.825 . 0 0 "[ . 1 . 2]" 1
1248 1 68 LYS QG 1 69 ILE H . . 4.340 3.684 3.322 3.999 . 0 0 "[ . 1 . 2]" 1
1249 1 68 LYS QG 1 69 ILE HA . . 6.380 4.892 3.432 5.761 . 0 0 "[ . 1 . 2]" 1
1250 1 68 LYS QG 1 79 ASP QB . . 6.210 3.161 1.495 4.566 . 0 0 "[ . 1 . 2]" 1
1251 1 68 LYS HG2 1 69 ILE H . . 4.600 4.159 3.434 4.740 0.140 19 0 "[ . 1 . 2]" 1
1252 1 68 LYS HG3 1 69 ILE H . . 4.600 4.410 3.550 4.825 0.225 12 0 "[ . 1 . 2]" 1
1253 1 69 ILE H 1 69 ILE HB . . 3.420 2.741 2.612 2.863 . 0 0 "[ . 1 . 2]" 1
1254 1 69 ILE H 1 69 ILE HG12 . . 5.500 3.947 3.739 4.314 . 0 0 "[ . 1 . 2]" 1
1255 1 69 ILE H 1 69 ILE QG . . 4.720 2.770 2.518 3.352 . 0 0 "[ . 1 . 2]" 1
1256 1 69 ILE H 1 69 ILE HG13 . . 5.500 2.832 2.555 3.494 . 0 0 "[ . 1 . 2]" 1
1257 1 69 ILE H 1 69 ILE MG . . 4.690 3.887 3.837 3.941 . 0 0 "[ . 1 . 2]" 1
1258 1 69 ILE H 1 70 LYS H . . 4.910 4.069 3.892 4.283 . 0 0 "[ . 1 . 2]" 1
1259 1 69 ILE H 1 70 LYS HA . . 5.440 4.578 4.455 4.823 . 0 0 "[ . 1 . 2]" 1
1260 1 69 ILE H 1 78 LEU MD2 . . 5.930 4.587 4.351 4.835 . 0 0 "[ . 1 . 2]" 1
1261 1 69 ILE H 1 79 ASP H . . 4.970 4.978 4.795 5.098 0.128 14 0 "[ . 1 . 2]" 1
1262 1 69 ILE HA 1 70 LYS H . . 2.930 2.168 2.109 2.203 . 0 0 "[ . 1 . 2]" 1
1263 1 69 ILE HA 1 70 LYS HB2 . . 4.880 4.588 4.411 4.759 . 0 0 "[ . 1 . 2]" 1
1264 1 69 ILE HA 1 70 LYS QB . . 4.670 4.125 4.007 4.217 . 0 0 "[ . 1 . 2]" 1
1265 1 69 ILE HA 1 70 LYS HB3 . . 4.880 4.683 4.573 4.849 . 0 0 "[ . 1 . 2]" 1
1266 1 69 ILE HA 1 77 GLU H . . 5.280 4.616 4.235 5.197 . 0 0 "[ . 1 . 2]" 1
1267 1 69 ILE HA 1 78 LEU MD2 . . 6.520 3.102 2.708 3.430 . 0 0 "[ . 1 . 2]" 1
1268 1 69 ILE HA 1 79 ASP QB . . 6.380 4.757 4.341 5.450 . 0 0 "[ . 1 . 2]" 1
1269 1 69 ILE HB 1 70 LYS H . . 4.600 4.331 4.198 4.388 . 0 0 "[ . 1 . 2]" 1
1270 1 69 ILE HB 1 78 LEU MD2 . . 6.520 4.436 4.240 4.784 . 0 0 "[ . 1 . 2]" 1
1271 1 69 ILE MD 1 70 LYS H . . 6.520 5.383 5.016 5.487 . 0 0 "[ . 1 . 2]" 1
1272 1 69 ILE MD 1 76 VAL HB . . 6.520 5.597 4.817 6.603 0.083 18 0 "[ . 1 . 2]" 1
1273 1 69 ILE MD 1 79 ASP H . . 6.520 5.591 4.905 6.027 . 0 0 "[ . 1 . 2]" 1
1274 1 69 ILE QG 1 70 LYS H . . 5.140 4.354 4.223 4.452 . 0 0 "[ . 1 . 2]" 1
1275 1 69 ILE QG 1 79 ASP H . . 6.380 4.073 3.631 4.464 . 0 0 "[ . 1 . 2]" 1
1276 1 69 ILE HG12 1 70 LYS H . . 5.500 4.738 4.504 5.517 0.017 18 0 "[ . 1 . 2]" 1
1277 1 69 ILE HG13 1 70 LYS H . . 5.500 5.118 4.636 5.180 . 0 0 "[ . 1 . 2]" 1
1278 1 69 ILE MG 1 70 LYS H . . 3.910 3.097 2.820 3.232 . 0 0 "[ . 1 . 2]" 1
1279 1 69 ILE MG 1 70 LYS HA . . 6.520 4.001 3.759 4.236 . 0 0 "[ . 1 . 2]" 1
1280 1 69 ILE MG 1 70 LYS HB2 . . 6.520 5.190 4.978 5.318 . 0 0 "[ . 1 . 2]" 1
1281 1 69 ILE MG 1 70 LYS HB3 . . 6.520 4.945 4.489 5.213 . 0 0 "[ . 1 . 2]" 1
1282 1 69 ILE MG 1 71 ASP H . . 6.520 4.060 3.254 4.666 . 0 0 "[ . 1 . 2]" 1
1283 1 69 ILE MG 1 71 ASP HA . . 6.520 3.990 3.480 4.632 . 0 0 "[ . 1 . 2]" 1
1284 1 69 ILE MG 1 76 VAL HA . . 6.330 4.794 4.193 5.588 . 0 0 "[ . 1 . 2]" 1
1285 1 69 ILE MG 1 76 VAL HB . . 4.410 2.887 2.325 3.643 . 0 0 "[ . 1 . 2]" 1
1286 1 69 ILE MG 1 77 GLU H . . 4.910 4.121 3.583 4.966 0.056 15 0 "[ . 1 . 2]" 1
1287 1 69 ILE MG 1 78 LEU QB . . 7.400 3.922 3.482 4.488 . 0 0 "[ . 1 . 2]" 1
1288 1 69 ILE MG 1 78 LEU MD2 . . 7.540 3.048 2.402 3.462 . 0 0 "[ . 1 . 2]" 1
1289 1 69 ILE MG 1 79 ASP H . . 6.330 4.955 4.605 5.574 . 0 0 "[ . 1 . 2]" 1
1290 1 70 LYS H 1 70 LYS HB2 . . 3.760 2.805 2.578 2.953 . 0 0 "[ . 1 . 2]" 1
1291 1 70 LYS H 1 70 LYS HB3 . . 3.760 2.555 2.453 2.689 . 0 0 "[ . 1 . 2]" 1
1292 1 70 LYS H 1 70 LYS HG2 . . 4.790 4.609 4.411 4.761 . 0 0 "[ . 1 . 2]" 1
1293 1 70 LYS H 1 70 LYS QG . . 4.550 4.058 4.000 4.130 . 0 0 "[ . 1 . 2]" 1
1294 1 70 LYS H 1 70 LYS HG3 . . 4.790 4.519 4.379 4.650 . 0 0 "[ . 1 . 2]" 1
1295 1 70 LYS H 1 71 ASP H . . 5.250 4.278 4.002 4.406 . 0 0 "[ . 1 . 2]" 1
1296 1 70 LYS H 1 72 LEU MD2 . . 6.520 5.557 4.875 6.102 . 0 0 "[ . 1 . 2]" 1
1297 1 70 LYS H 1 76 VAL HA . . 5.000 4.941 4.661 5.064 0.064 15 0 "[ . 1 . 2]" 1
1298 1 70 LYS H 1 76 VAL MG1 . . 5.680 4.925 4.575 5.220 . 0 0 "[ . 1 . 2]" 1
1299 1 70 LYS H 1 77 GLU H . . 4.570 3.011 2.773 3.305 . 0 0 "[ . 1 . 2]" 1
1300 1 70 LYS H 1 77 GLU HA . . 4.790 4.724 4.481 4.915 0.125 15 0 "[ . 1 . 2]" 1
1301 1 70 LYS H 1 77 GLU QB . . 4.800 3.317 2.765 4.634 . 0 0 "[ . 1 . 2]" 1
1302 1 70 LYS H 1 78 LEU MD2 . . 6.520 4.633 4.137 5.099 . 0 0 "[ . 1 . 2]" 1
1303 1 70 LYS HA 1 71 ASP H . . 2.860 2.068 2.025 2.115 . 0 0 "[ . 1 . 2]" 1
1304 1 70 LYS HA 1 77 GLU H . . 5.500 4.588 4.304 4.798 . 0 0 "[ . 1 . 2]" 1
1305 1 70 LYS QB 1 77 GLU H . . 4.660 2.809 2.113 3.246 . 0 0 "[ . 1 . 2]" 1
1306 1 70 LYS QB 1 77 GLU HA . . 6.380 4.603 3.921 5.152 . 0 0 "[ . 1 . 2]" 1
1307 1 70 LYS HB2 1 71 ASP H . . 4.170 4.289 4.204 4.421 0.251 5 0 "[ . 1 . 2]" 1
1308 1 70 LYS HB2 1 72 LEU MD2 . . 5.530 4.475 3.813 5.340 . 0 0 "[ . 1 . 2]" 1
1309 1 70 LYS HB2 1 77 GLU H . . 5.160 4.399 3.773 4.784 . 0 0 "[ . 1 . 2]" 1
1310 1 70 LYS HB3 1 71 ASP H . . 4.170 4.243 4.184 4.318 0.148 5 0 "[ . 1 . 2]" 1
1311 1 70 LYS HB3 1 72 LEU MD2 . . 5.530 3.588 2.662 4.422 . 0 0 "[ . 1 . 2]" 1
1312 1 70 LYS HB3 1 77 GLU H . . 5.160 2.844 2.125 3.302 . 0 0 "[ . 1 . 2]" 1
1313 1 70 LYS QG 1 71 ASP H . . 5.030 3.188 2.796 3.559 . 0 0 "[ . 1 . 2]" 1
1314 1 70 LYS HG2 1 71 ASP H . . 5.440 4.200 3.308 5.000 . 0 0 "[ . 1 . 2]" 1
1315 1 70 LYS HG3 1 71 ASP H . . 5.440 3.363 2.977 4.031 . 0 0 "[ . 1 . 2]" 1
1316 1 71 ASP H 1 71 ASP HB2 . . 3.480 2.735 2.312 3.585 0.105 9 0 "[ . 1 . 2]" 1
1317 1 71 ASP H 1 71 ASP QB . . 3.310 2.427 2.284 2.727 . 0 0 "[ . 1 . 2]" 1
1318 1 71 ASP H 1 71 ASP HB3 . . 3.480 3.203 2.499 3.599 0.119 17 0 "[ . 1 . 2]" 1
1319 1 71 ASP H 1 72 LEU H . . 5.500 4.342 4.149 4.522 . 0 0 "[ . 1 . 2]" 1
1320 1 71 ASP H 1 72 LEU MD2 . . 6.360 4.611 4.383 4.766 . 0 0 "[ . 1 . 2]" 1
1321 1 71 ASP H 1 76 VAL HA . . 5.500 5.196 4.877 5.351 . 0 0 "[ . 1 . 2]" 1
1322 1 71 ASP H 1 76 VAL MG1 . . 6.210 4.212 4.003 4.616 . 0 0 "[ . 1 . 2]" 1
1323 1 71 ASP H 1 77 GLU H . . 5.500 4.957 4.617 5.282 . 0 0 "[ . 1 . 2]" 1
1324 1 71 ASP HA 1 72 LEU H . . 3.550 2.172 2.140 2.242 . 0 0 "[ . 1 . 2]" 1
1325 1 71 ASP HA 1 76 VAL HA . . 3.830 3.198 2.656 3.695 . 0 0 "[ . 1 . 2]" 1
1326 1 71 ASP HA 1 76 VAL HB . . 4.540 3.273 2.730 3.749 . 0 0 "[ . 1 . 2]" 1
1327 1 71 ASP QB 1 72 LEU H . . 4.290 3.537 3.148 3.970 . 0 0 "[ . 1 . 2]" 1
1328 1 71 ASP HB2 1 72 LEU H . . 4.570 4.195 3.247 4.554 . 0 0 "[ . 1 . 2]" 1
1329 1 71 ASP HB3 1 72 LEU H . . 4.570 3.943 3.270 4.420 . 0 0 "[ . 1 . 2]" 1
1330 1 72 LEU H 1 72 LEU HG . . 3.360 2.738 2.482 3.004 . 0 0 "[ . 1 . 2]" 1
1331 1 72 LEU H 1 73 GLU H . . 5.070 4.406 4.342 4.529 . 0 0 "[ . 1 . 2]" 1
1332 1 72 LEU H 1 75 GLN H . . 4.540 4.065 3.685 4.549 0.009 7 0 "[ . 1 . 2]" 1
1333 1 72 LEU H 1 76 VAL HA . . 3.450 2.342 2.021 2.629 . 0 0 "[ . 1 . 2]" 1
1334 1 72 LEU H 1 76 VAL HB . . 4.380 3.951 3.739 4.174 . 0 0 "[ . 1 . 2]" 1
1335 1 72 LEU H 1 76 VAL MG1 . . 4.100 2.322 2.060 2.495 . 0 0 "[ . 1 . 2]" 1
1336 1 72 LEU H 1 76 VAL MG2 . . 6.490 4.648 4.529 4.763 . 0 0 "[ . 1 . 2]" 1
1337 1 72 LEU H 1 77 GLU H . . 4.290 4.074 3.631 4.334 0.044 12 0 "[ . 1 . 2]" 1
1338 1 72 LEU HA 1 72 LEU MD2 . . 3.910 2.093 1.985 2.211 . 0 0 "[ . 1 . 2]" 1
1339 1 72 LEU HA 1 72 LEU HG . . 4.110 3.111 2.996 3.235 . 0 0 "[ . 1 . 2]" 1
1340 1 72 LEU HA 1 73 GLU H . . 3.300 2.630 2.385 2.748 . 0 0 "[ . 1 . 2]" 1
1341 1 72 LEU HA 1 74 GLY H . . 5.500 5.512 5.243 5.574 0.074 2 0 "[ . 1 . 2]" 1
1342 1 72 LEU QB 1 73 GLU H . . 3.450 1.972 1.738 2.350 . 0 0 "[ . 1 . 2]" 1
1343 1 72 LEU QB 1 73 GLU HA . . 6.320 4.199 4.129 4.301 . 0 0 "[ . 1 . 2]" 1
1344 1 72 LEU QB 1 75 GLN QE . . 6.300 3.770 3.185 4.958 . 0 0 "[ . 1 . 2]" 1
1345 1 72 LEU QB 1 75 GLN QG . . 4.430 2.334 2.024 2.797 . 0 0 "[ . 1 . 2]" 1
1346 1 72 LEU QB 1 76 VAL HA . . 4.650 2.939 2.644 3.314 . 0 0 "[ . 1 . 2]" 1
1347 1 72 LEU HB2 1 73 GLU H . . 3.730 3.106 2.917 3.545 . 0 0 "[ . 1 . 2]" 1
1348 1 72 LEU HB2 1 75 GLN H . . 4.790 3.126 2.834 3.264 . 0 0 "[ . 1 . 2]" 1
1349 1 72 LEU HB2 1 75 GLN HE21 . . 7.230 4.224 3.593 5.754 . 0 0 "[ . 1 . 2]" 1
1350 1 72 LEU HB2 1 75 GLN HE22 . . 7.230 5.655 5.239 6.291 . 0 0 "[ . 1 . 2]" 1
1351 1 72 LEU HB2 1 75 GLN HG2 . . 4.850 3.302 2.667 3.672 . 0 0 "[ . 1 . 2]" 1
1352 1 72 LEU HB2 1 75 GLN HG3 . . 4.850 2.470 2.100 3.099 . 0 0 "[ . 1 . 2]" 1
1353 1 72 LEU HB2 1 76 VAL HA . . 4.910 2.976 2.669 3.373 . 0 0 "[ . 1 . 2]" 1
1354 1 72 LEU HB3 1 73 GLU H . . 3.730 1.995 1.751 2.385 . 0 0 "[ . 1 . 2]" 1
1355 1 72 LEU HB3 1 75 GLN H . . 4.790 4.078 3.694 4.380 . 0 0 "[ . 1 . 2]" 1
1356 1 72 LEU HB3 1 75 GLN HE21 . . 7.230 4.625 3.657 6.504 . 0 0 "[ . 1 . 2]" 1
1357 1 72 LEU HB3 1 75 GLN HE22 . . 7.230 5.960 5.236 6.809 . 0 0 "[ . 1 . 2]" 1
1358 1 72 LEU HB3 1 75 GLN HG2 . . 4.850 3.891 3.412 4.254 . 0 0 "[ . 1 . 2]" 1
1359 1 72 LEU HB3 1 75 GLN HG3 . . 4.850 3.495 3.013 4.397 . 0 0 "[ . 1 . 2]" 1
1360 1 72 LEU HB3 1 76 VAL HA . . 4.910 4.563 4.293 4.933 0.023 19 0 "[ . 1 . 2]" 1
1361 1 72 LEU MD1 1 73 GLU H . . 6.520 4.067 3.838 4.487 . 0 0 "[ . 1 . 2]" 1
1362 1 72 LEU MD1 1 75 GLN H . . 6.520 4.615 4.281 4.847 . 0 0 "[ . 1 . 2]" 1
1363 1 72 LEU MD1 1 75 GLN HB2 . . 6.520 4.112 3.748 4.663 . 0 0 "[ . 1 . 2]" 1
1364 1 72 LEU MD1 1 75 GLN QB . . 6.050 3.925 3.596 4.392 . 0 0 "[ . 1 . 2]" 1
1365 1 72 LEU MD1 1 75 GLN HB3 . . 6.520 4.978 4.631 5.409 . 0 0 "[ . 1 . 2]" 1
1366 1 72 LEU MD1 1 75 GLN HE21 . . 5.120 2.853 2.168 5.023 . 0 0 "[ . 1 . 2]" 1
1367 1 72 LEU MD1 1 75 GLN QE . . 4.820 2.752 2.146 4.420 . 0 0 "[ . 1 . 2]" 1
1368 1 72 LEU MD1 1 75 GLN HE22 . . 5.120 3.916 3.342 4.904 . 0 0 "[ . 1 . 2]" 1
1369 1 72 LEU MD1 1 75 GLN HG2 . . 6.270 3.672 3.329 4.023 . 0 0 "[ . 1 . 2]" 1
1370 1 72 LEU MD1 1 75 GLN QG . . 5.890 2.377 1.957 2.700 . 0 0 "[ . 1 . 2]" 1
1371 1 72 LEU MD1 1 75 GLN HG3 . . 6.270 2.409 1.971 2.760 . 0 0 "[ . 1 . 2]" 1
1372 1 72 LEU MD1 1 76 VAL H . . 5.930 4.242 3.770 4.727 . 0 0 "[ . 1 . 2]" 1
1373 1 72 LEU MD1 1 76 VAL HA . . 6.520 3.117 2.567 3.522 . 0 0 "[ . 1 . 2]" 1
1374 1 72 LEU MD1 1 77 GLU H . . 4.660 3.369 3.036 3.893 . 0 0 "[ . 1 . 2]" 1
1375 1 72 LEU MD1 1 77 GLU HB2 . . 4.880 2.827 1.741 4.592 . 0 0 "[ . 1 . 2]" 1
1376 1 72 LEU MD1 1 77 GLU HB3 . . 4.880 3.337 2.294 4.490 . 0 0 "[ . 1 . 2]" 1
1377 1 72 LEU MD1 1 77 GLU QG . . 7.370 3.939 2.093 4.817 . 0 0 "[ . 1 . 2]" 1
1378 1 72 LEU MD1 1 78 LEU H . . 6.520 5.810 5.203 6.497 . 0 0 "[ . 1 . 2]" 1
1379 1 72 LEU MD2 1 73 GLU H . . 5.930 3.462 3.234 3.657 . 0 0 "[ . 1 . 2]" 1
1380 1 72 LEU MD2 1 76 VAL HA . . 6.520 4.359 3.829 4.784 . 0 0 "[ . 1 . 2]" 1
1381 1 72 LEU MD2 1 77 GLU H . . 6.520 4.401 3.602 5.148 . 0 0 "[ . 1 . 2]" 1
1382 1 72 LEU HG 1 73 GLU H . . 4.660 4.676 4.535 4.788 0.128 2 0 "[ . 1 . 2]" 1
1383 1 72 LEU HG 1 75 GLN H . . 5.500 5.470 5.277 5.550 0.050 18 0 "[ . 1 . 2]" 1
1384 1 72 LEU HG 1 76 VAL HA . . 4.850 2.784 2.151 3.294 . 0 0 "[ . 1 . 2]" 1
1385 1 72 LEU HG 1 77 GLU H . . 4.760 3.129 2.583 3.877 . 0 0 "[ . 1 . 2]" 1
1386 1 73 GLU H 1 73 GLU HB2 . . 3.670 2.648 2.207 3.630 . 0 0 "[ . 1 . 2]" 1
1387 1 73 GLU H 1 73 GLU QB . . 3.490 2.376 2.184 2.871 . 0 0 "[ . 1 . 2]" 1
1388 1 73 GLU H 1 73 GLU HB3 . . 3.670 2.927 2.452 3.639 . 0 0 "[ . 1 . 2]" 1
1389 1 73 GLU H 1 73 GLU HG2 . . 4.820 4.043 1.635 4.705 . 0 0 "[ . 1 . 2]" 1
1390 1 73 GLU H 1 73 GLU HG3 . . 4.820 4.012 2.320 4.628 . 0 0 "[ . 1 . 2]" 1
1391 1 73 GLU H 1 74 GLY H . . 4.600 4.202 4.114 4.279 . 0 0 "[ . 1 . 2]" 1
1392 1 73 GLU H 1 75 GLN H . . 5.280 3.951 3.711 4.306 . 0 0 "[ . 1 . 2]" 1
1393 1 73 GLU HA 1 74 GLY H . . 2.990 2.174 2.135 2.242 . 0 0 "[ . 1 . 2]" 1
1394 1 73 GLU HA 1 74 GLY QA . . 5.110 3.869 3.846 3.895 . 0 0 "[ . 1 . 2]" 1
1395 1 73 GLU HA 1 75 GLN H . . 4.540 3.777 3.629 4.478 . 0 0 "[ . 1 . 2]" 1
1396 1 73 GLU HB2 1 74 GLY H . . 4.850 4.443 3.870 4.598 . 0 0 "[ . 1 . 2]" 1
1397 1 73 GLU HB3 1 74 GLY H . . 4.850 4.215 3.746 4.442 . 0 0 "[ . 1 . 2]" 1
1398 1 73 GLU QG 1 74 GLY H . . 5.300 3.836 3.287 4.455 . 0 0 "[ . 1 . 2]" 1
1399 1 73 GLU QG 1 74 GLY QA . . 6.180 4.175 3.315 5.353 . 0 0 "[ . 1 . 2]" 1
1400 1 73 GLU HG2 1 74 GLY H . . 5.500 4.501 3.503 5.554 0.054 8 0 "[ . 1 . 2]" 1
1401 1 73 GLU HG2 1 74 GLY HA2 . . 7.260 5.706 4.266 7.183 . 0 0 "[ . 1 . 2]" 1
1402 1 73 GLU HG2 1 74 GLY HA3 . . 7.260 5.146 3.569 6.714 . 0 0 "[ . 1 . 2]" 1
1403 1 73 GLU HG3 1 74 GLY H . . 5.500 4.314 3.718 5.203 . 0 0 "[ . 1 . 2]" 1
1404 1 73 GLU HG3 1 74 GLY HA2 . . 7.260 5.742 4.580 7.209 . 0 0 "[ . 1 . 2]" 1
1405 1 73 GLU HG3 1 74 GLY HA3 . . 7.260 5.372 3.870 6.661 . 0 0 "[ . 1 . 2]" 1
1406 1 74 GLY H 1 75 GLN H . . 3.550 2.554 2.357 3.502 . 0 0 "[ . 1 . 2]" 1
1407 1 74 GLY QA 1 75 GLN HA . . 6.320 4.087 3.960 4.132 . 0 0 "[ . 1 . 2]" 1
1408 1 75 GLN H 1 75 GLN HG2 . . 4.480 2.675 1.907 2.878 . 0 0 "[ . 1 . 2]" 1
1409 1 75 GLN H 1 75 GLN HG3 . . 4.480 3.285 2.941 3.663 . 0 0 "[ . 1 . 2]" 1
1410 1 75 GLN H 1 76 VAL H . . 4.970 4.356 4.314 4.504 . 0 0 "[ . 1 . 2]" 1
1411 1 75 GLN H 1 76 VAL MG1 . . 6.520 4.141 3.855 4.704 . 0 0 "[ . 1 . 2]" 1
1412 1 75 GLN H 1 76 VAL MG2 . . 6.520 5.457 5.220 5.854 . 0 0 "[ . 1 . 2]" 1
1413 1 75 GLN HA 1 76 VAL H . . 3.170 2.534 2.424 2.620 . 0 0 "[ . 1 . 2]" 1
1414 1 75 GLN HA 1 76 VAL MG1 . . 6.520 3.485 3.338 3.574 . 0 0 "[ . 1 . 2]" 1
1415 1 75 GLN HA 1 76 VAL MG2 . . 6.520 3.750 3.637 3.921 . 0 0 "[ . 1 . 2]" 1
1416 1 75 GLN QB 1 76 VAL H . . 3.440 2.186 2.087 2.355 . 0 0 "[ . 1 . 2]" 1
1417 1 75 GLN HB2 1 75 GLN HE22 . . 5.500 4.233 3.709 4.687 . 0 0 "[ . 1 . 2]" 1
1418 1 75 GLN HB2 1 76 VAL H . . 3.640 2.204 2.101 2.384 . 0 0 "[ . 1 . 2]" 1
1419 1 75 GLN HB3 1 75 GLN HE22 . . 5.500 4.458 3.333 4.766 . 0 0 "[ . 1 . 2]" 1
1420 1 75 GLN HB3 1 76 VAL H . . 3.640 3.629 3.541 3.700 0.060 15 0 "[ . 1 . 2]" 1
1421 1 75 GLN QG 1 76 VAL H . . 4.560 3.376 3.130 3.678 . 0 0 "[ . 1 . 2]" 1
1422 1 75 GLN HG2 1 76 VAL H . . 5.220 4.521 4.297 4.702 . 0 0 "[ . 1 . 2]" 1
1423 1 75 GLN HG3 1 76 VAL H . . 5.220 3.486 3.216 3.841 . 0 0 "[ . 1 . 2]" 1
1424 1 76 VAL H 1 76 VAL MG1 . . 4.350 3.034 2.859 3.148 . 0 0 "[ . 1 . 2]" 1
1425 1 76 VAL H 1 76 VAL MG2 . . 3.600 2.271 2.182 2.367 . 0 0 "[ . 1 . 2]" 1
1426 1 76 VAL H 1 77 GLU HA . . 4.820 4.738 4.569 4.837 0.017 5 0 "[ . 1 . 2]" 1
1427 1 76 VAL HA 1 77 GLU H . . 3.080 2.319 2.257 2.380 . 0 0 "[ . 1 . 2]" 1
1428 1 76 VAL HB 1 77 GLU H . . 4.320 2.560 2.373 2.679 . 0 0 "[ . 1 . 2]" 1
1429 1 76 VAL MG1 1 77 GLU H . . 4.290 3.703 3.622 3.795 . 0 0 "[ . 1 . 2]" 1
1430 1 76 VAL MG2 1 77 GLU H . . 5.030 3.536 3.347 3.653 . 0 0 "[ . 1 . 2]" 1
1431 1 76 VAL MG2 1 78 LEU H . . 6.520 3.885 3.753 4.126 . 0 0 "[ . 1 . 2]" 1
1432 1 77 GLU H 1 77 GLU HB2 . . 4.070 3.076 2.385 3.791 . 0 0 "[ . 1 . 2]" 1
1433 1 77 GLU H 1 77 GLU HB3 . . 4.070 2.665 2.428 3.616 . 0 0 "[ . 1 . 2]" 1
1434 1 77 GLU H 1 77 GLU HG2 . . 4.790 4.068 2.206 4.665 . 0 0 "[ . 1 . 2]" 1
1435 1 77 GLU H 1 77 GLU QG . . 4.520 3.696 2.176 4.076 . 0 0 "[ . 1 . 2]" 1
1436 1 77 GLU H 1 77 GLU HG3 . . 4.790 4.367 3.082 4.715 . 0 0 "[ . 1 . 2]" 1
1437 1 77 GLU HA 1 78 LEU H . . 3.170 2.122 2.059 2.171 . 0 0 "[ . 1 . 2]" 1
1438 1 77 GLU HA 1 78 LEU HB2 . . 5.500 4.511 4.353 4.615 . 0 0 "[ . 1 . 2]" 1
1439 1 77 GLU HA 1 78 LEU HB3 . . 5.500 4.670 4.561 4.758 . 0 0 "[ . 1 . 2]" 1
1440 1 77 GLU HB2 1 78 LEU H . . 5.130 4.180 3.254 4.429 . 0 0 "[ . 1 . 2]" 1
1441 1 77 GLU HB3 1 78 LEU H . . 5.130 4.276 3.594 4.408 . 0 0 "[ . 1 . 2]" 1
1442 1 77 GLU QG 1 78 LEU H . . 4.280 3.257 2.845 4.074 . 0 0 "[ . 1 . 2]" 1
1443 1 77 GLU QG 1 78 LEU HA . . 6.380 4.066 3.831 5.738 . 0 0 "[ . 1 . 2]" 1
1444 1 77 GLU QG 1 79 ASP H . . 5.480 4.023 3.643 6.241 0.761 1 1 "[+ . 1 . 2]" 1
1445 1 77 GLU HG2 1 78 LEU H . . 4.850 3.764 3.256 4.997 0.147 10 0 "[ . 1 . 2]" 1
1446 1 77 GLU HG3 1 78 LEU H . . 4.850 3.642 3.125 4.925 0.075 1 0 "[ . 1 . 2]" 1
1447 1 78 LEU H 1 78 LEU HB2 . . 4.010 2.702 2.621 2.787 . 0 0 "[ . 1 . 2]" 1
1448 1 78 LEU H 1 78 LEU QB . . 3.700 2.341 2.302 2.399 . 0 0 "[ . 1 . 2]" 1
1449 1 78 LEU H 1 78 LEU HB3 . . 4.010 2.567 2.512 2.631 . 0 0 "[ . 1 . 2]" 1
1450 1 78 LEU H 1 78 LEU MD1 . . 5.090 4.139 4.080 4.175 . 0 0 "[ . 1 . 2]" 1
1451 1 78 LEU H 1 78 LEU MD2 . . 5.650 4.147 4.105 4.195 . 0 0 "[ . 1 . 2]" 1
1452 1 78 LEU H 1 78 LEU HG . . 4.790 4.738 4.693 4.797 0.007 1 0 "[ . 1 . 2]" 1
1453 1 78 LEU H 1 79 ASP H . . 4.850 4.304 4.236 4.365 . 0 0 "[ . 1 . 2]" 1
1454 1 78 LEU HA 1 78 LEU MD2 . . 4.190 1.945 1.891 2.017 . 0 0 "[ . 1 . 2]" 1
1455 1 78 LEU HA 1 79 ASP H . . 3.240 2.122 2.101 2.139 . 0 0 "[ . 1 . 2]" 1
1456 1 78 LEU HA 1 79 ASP HA . . 4.940 4.384 4.370 4.395 . 0 0 "[ . 1 . 2]" 1
1457 1 78 LEU HA 1 79 ASP QB . . 6.160 4.076 4.026 4.292 . 0 0 "[ . 1 . 2]" 1
1458 1 78 LEU HB2 1 79 ASP H . . 4.910 4.416 4.379 4.441 . 0 0 "[ . 1 . 2]" 1
1459 1 78 LEU HB3 1 79 ASP H . . 4.910 4.273 4.247 4.304 . 0 0 "[ . 1 . 2]" 1
1460 1 78 LEU MD1 1 79 ASP H . . 5.710 3.041 2.895 3.176 . 0 0 "[ . 1 . 2]" 1
1461 1 78 LEU MD1 1 80 ALA H . . 5.960 3.250 2.917 3.870 . 0 0 "[ . 1 . 2]" 1
1462 1 78 LEU MD1 1 80 ALA HA . . 6.520 4.099 3.558 4.585 . 0 0 "[ . 1 . 2]" 1
1463 1 78 LEU MD2 1 79 ASP H . . 3.820 2.392 2.263 2.539 . 0 0 "[ . 1 . 2]" 1
1464 1 78 LEU MD2 1 79 ASP HA . . 6.520 4.425 4.182 4.666 . 0 0 "[ . 1 . 2]" 1
1465 1 78 LEU MD2 1 80 ALA H . . 6.150 4.815 4.392 5.443 . 0 0 "[ . 1 . 2]" 1
1466 1 78 LEU MD2 1 80 ALA HA . . 6.520 4.786 4.391 5.345 . 0 0 "[ . 1 . 2]" 1
1467 1 78 LEU HG 1 79 ASP H . . 4.850 4.934 4.860 5.005 0.155 10 0 "[ . 1 . 2]" 1
1468 1 79 ASP H 1 79 ASP HB2 . . 3.920 3.047 2.422 3.250 . 0 0 "[ . 1 . 2]" 1
1469 1 79 ASP H 1 79 ASP HB3 . . 3.920 2.695 2.442 3.643 . 0 0 "[ . 1 . 2]" 1
1470 1 79 ASP H 1 80 ALA H . . 4.790 4.186 3.949 4.423 . 0 0 "[ . 1 . 2]" 1
1471 1 79 ASP H 1 80 ALA MB . . 6.520 4.560 4.249 4.973 . 0 0 "[ . 1 . 2]" 1
1472 1 79 ASP HA 1 80 ALA H . . 3.050 2.148 2.120 2.198 . 0 0 "[ . 1 . 2]" 1
1473 1 79 ASP HA 1 80 ALA MB . . 6.520 4.003 3.888 4.062 . 0 0 "[ . 1 . 2]" 1
1474 1 79 ASP QB 1 80 ALA H . . 4.390 3.841 3.431 3.974 . 0 0 "[ . 1 . 2]" 1
1475 1 79 ASP HB2 1 80 ALA H . . 4.540 4.357 4.069 4.522 . 0 0 "[ . 1 . 2]" 1
1476 1 79 ASP HB3 1 80 ALA H . . 4.540 4.284 3.574 4.408 . 0 0 "[ . 1 . 2]" 1
1477 1 80 ALA H 1 80 ALA MB . . 3.670 2.458 2.350 2.680 . 0 0 "[ . 1 . 2]" 1
1478 1 80 ALA H 1 81 ALA H . . 5.040 4.361 4.146 4.465 . 0 0 "[ . 1 . 2]" 1
1479 1 80 ALA HA 1 81 ALA H . . 3.300 2.153 2.114 2.267 . 0 0 "[ . 1 . 2]" 1
1480 1 80 ALA MB 1 81 ALA H . . 3.640 3.010 2.569 3.179 . 0 0 "[ . 1 . 2]" 1
1481 1 80 ALA MB 1 82 PHE H . . 5.990 4.337 4.118 4.561 . 0 0 "[ . 1 . 2]" 1
1482 1 80 ALA MB 1 82 PHE QD . . 7.870 3.187 2.777 3.510 . 0 0 "[ . 1 . 2]" 1
1483 1 81 ALA H 1 81 ALA MB . . 3.540 2.451 2.312 2.617 . 0 0 "[ . 1 . 2]" 1
1484 1 81 ALA H 1 82 PHE H . . 4.820 4.101 3.895 4.322 . 0 0 "[ . 1 . 2]" 1
1485 1 81 ALA H 1 82 PHE QD . . 7.630 4.627 3.668 5.270 . 0 0 "[ . 1 . 2]" 1
1486 1 81 ALA HA 1 82 PHE H . . 3.110 2.158 2.123 2.192 . 0 0 "[ . 1 . 2]" 1
1487 1 81 ALA HA 1 82 PHE QD . . 7.630 3.829 3.506 4.265 . 0 0 "[ . 1 . 2]" 1
1488 1 81 ALA MB 1 82 PHE H . . 4.040 3.395 3.301 3.473 . 0 0 "[ . 1 . 2]" 1
1489 1 81 ALA MB 1 82 PHE QD . . 8.650 4.909 4.609 5.207 . 0 0 "[ . 1 . 2]" 1
1490 1 82 PHE H 1 83 THR H . . 4.910 4.339 4.242 4.528 . 0 0 "[ . 1 . 2]" 1
1491 1 82 PHE HA 1 83 THR H . . 2.960 2.157 2.120 2.311 . 0 0 "[ . 1 . 2]" 1
1492 1 82 PHE QB 1 83 THR H . . 4.190 3.366 2.734 3.509 . 0 0 "[ . 1 . 2]" 1
1493 1 82 PHE QB 1 84 PHE H . . 6.380 4.528 4.260 5.346 . 0 0 "[ . 1 . 2]" 1
1494 1 82 PHE QB 1 84 PHE QD . . 8.510 3.569 2.906 4.163 . 0 0 "[ . 1 . 2]" 1
1495 1 82 PHE QB 1 84 PHE QE . . 8.510 2.477 1.915 2.894 . 0 0 "[ . 1 . 2]" 1
1496 1 82 PHE QB 1 84 PHE HZ . . 6.380 3.032 2.526 3.832 . 0 0 "[ . 1 . 2]" 1
1497 1 82 PHE HB2 1 83 THR H . . 4.660 4.332 3.890 4.459 . 0 0 "[ . 1 . 2]" 1
1498 1 82 PHE HB3 1 83 THR H . . 4.660 3.512 2.793 3.672 . 0 0 "[ . 1 . 2]" 1
1499 1 82 PHE QD 1 83 THR H . . 7.070 4.348 3.966 4.593 . 0 0 "[ . 1 . 2]" 1
1500 1 82 PHE QD 1 84 PHE HZ . . 7.630 3.972 3.299 4.520 . 0 0 "[ . 1 . 2]" 1
1501 1 83 THR H 1 83 THR HB . . 3.550 2.614 2.479 2.850 . 0 0 "[ . 1 . 2]" 1
1502 1 83 THR H 1 83 THR MG . . 4.780 3.828 3.780 3.941 . 0 0 "[ . 1 . 2]" 1
1503 1 83 THR H 1 84 PHE H . . 4.910 4.257 3.958 4.541 . 0 0 "[ . 1 . 2]" 1
1504 1 83 THR HA 1 84 PHE H . . 3.270 2.154 2.121 2.262 . 0 0 "[ . 1 . 2]" 1
1505 1 83 THR HA 1 84 PHE QD . . 7.630 3.917 3.549 4.287 . 0 0 "[ . 1 . 2]" 1
1506 1 83 THR HB 1 84 PHE H . . 4.720 4.301 3.852 4.412 . 0 0 "[ . 1 . 2]" 1
1507 1 83 THR MG 1 84 PHE H . . 4.010 3.070 2.271 3.218 . 0 0 "[ . 1 . 2]" 1
1508 1 84 PHE H 1 85 SER H . . 5.070 4.397 2.055 4.583 . 0 0 "[ . 1 . 2]" 1
1509 1 84 PHE H 1 90 MET QB . . 6.380 4.226 3.611 4.826 . 0 0 "[ . 1 . 2]" 1
1510 1 84 PHE HA 1 85 SER H . . 3.170 2.486 2.239 3.303 0.133 3 0 "[ . 1 . 2]" 1
1511 1 84 PHE QB 1 85 SER H . . 4.390 2.383 1.834 3.074 . 0 0 "[ . 1 . 2]" 1
1512 1 84 PHE QB 1 86 CYS H . . 3.790 2.620 2.393 2.947 . 0 0 "[ . 1 . 2]" 1
1513 1 84 PHE QB 1 89 GLU H . . 6.380 4.095 3.772 4.551 . 0 0 "[ . 1 . 2]" 1
1514 1 84 PHE QB 1 89 GLU QB . . 6.040 2.269 1.615 3.696 . 0 0 "[ . 1 . 2]" 1
1515 1 84 PHE QB 1 90 MET H . . 5.570 3.441 3.010 3.738 . 0 0 "[ . 1 . 2]" 1
1516 1 84 PHE HB2 1 85 SER H . . 4.820 3.545 3.045 3.921 . 0 0 "[ . 1 . 2]" 1
1517 1 84 PHE HB2 1 86 CYS H . . 3.980 3.471 3.009 3.904 . 0 0 "[ . 1 . 2]" 1
1518 1 84 PHE HB2 1 89 GLU HB2 . . 7.260 3.331 2.649 5.148 . 0 0 "[ . 1 . 2]" 1
1519 1 84 PHE HB2 1 89 GLU HB3 . . 7.260 4.623 2.970 6.097 . 0 0 "[ . 1 . 2]" 1
1520 1 84 PHE HB3 1 85 SER H . . 4.820 2.464 1.849 4.016 . 0 0 "[ . 1 . 2]" 1
1521 1 84 PHE HB3 1 86 CYS H . . 3.980 2.733 2.453 3.140 . 0 0 "[ . 1 . 2]" 1
1522 1 84 PHE HB3 1 89 GLU HB2 . . 7.260 2.410 1.628 4.017 . 0 0 "[ . 1 . 2]" 1
1523 1 84 PHE HB3 1 89 GLU HB3 . . 7.260 3.414 1.725 4.810 . 0 0 "[ . 1 . 2]" 1
1524 1 84 PHE QD 1 85 SER H . . 7.470 3.682 3.159 4.344 . 0 0 "[ . 1 . 2]" 1
1525 1 84 PHE QD 1 86 CYS H . . 7.630 4.580 4.077 5.015 . 0 0 "[ . 1 . 2]" 1
1526 1 84 PHE QD 1 89 GLU HB2 . . 7.630 3.078 2.405 4.002 . 0 0 "[ . 1 . 2]" 1
1527 1 84 PHE QD 1 89 GLU HB3 . . 7.630 3.221 2.363 4.900 . 0 0 "[ . 1 . 2]" 1
1528 1 84 PHE QD 1 90 MET H . . 7.630 4.121 3.818 4.488 . 0 0 "[ . 1 . 2]" 1
1529 1 84 PHE QD 1 90 MET HA . . 7.630 2.892 2.398 3.628 . 0 0 "[ . 1 . 2]" 1
1530 1 84 PHE QD 1 90 MET QB . . 8.510 2.722 2.183 3.719 . 0 0 "[ . 1 . 2]" 1
1531 1 84 PHE QD 1 90 MET ME . . 8.650 4.872 1.927 5.937 . 0 0 "[ . 1 . 2]" 1
1532 1 84 PHE QD 1 90 MET QG . . 8.510 3.083 2.244 4.730 . 0 0 "[ . 1 . 2]" 1
1533 1 84 PHE QE 1 90 MET HA . . 7.630 3.016 2.561 3.981 . 0 0 "[ . 1 . 2]" 1
1534 1 84 PHE HZ 1 93 PHE HB2 . . 5.500 3.268 2.883 3.668 . 0 0 "[ . 1 . 2]" 1
1535 1 84 PHE HZ 1 93 PHE HB3 . . 5.500 3.648 3.061 4.359 . 0 0 "[ . 1 . 2]" 1
1536 1 85 SER H 1 85 SER HB2 . . 4.110 2.814 2.474 3.693 . 0 0 "[ . 1 . 2]" 1
1537 1 85 SER H 1 85 SER QB . . 3.900 2.635 2.435 3.439 . 0 0 "[ . 1 . 2]" 1
1538 1 85 SER H 1 85 SER HB3 . . 4.110 3.526 2.801 4.111 0.001 3 0 "[ . 1 . 2]" 1
1539 1 85 SER H 1 86 CYS H . . 3.830 2.436 1.989 3.177 . 0 0 "[ . 1 . 2]" 1
1540 1 85 SER H 1 86 CYS HA . . 5.500 5.063 4.751 5.249 . 0 0 "[ . 1 . 2]" 1
1541 1 85 SER H 1 89 GLU HB2 . . 5.500 4.299 3.461 5.444 . 0 0 "[ . 1 . 2]" 1
1542 1 85 SER H 1 89 GLU QB . . 5.270 4.046 3.296 4.942 . 0 0 "[ . 1 . 2]" 1
1543 1 85 SER H 1 89 GLU HB3 . . 5.500 4.970 4.145 5.666 0.166 3 0 "[ . 1 . 2]" 1
1544 1 85 SER QB 1 86 CYS QB . . 7.260 4.022 3.226 4.818 . 0 0 "[ . 1 . 2]" 1
1545 1 85 SER HB2 1 86 CYS H . . 5.130 2.947 2.392 3.959 . 0 0 "[ . 1 . 2]" 1
1546 1 85 SER HB3 1 86 CYS H . . 5.130 3.964 3.708 4.390 . 0 0 "[ . 1 . 2]" 1
1547 1 86 CYS H 1 87 GLN H . . 5.100 4.435 4.360 4.522 . 0 0 "[ . 1 . 2]" 1
1548 1 86 CYS H 1 88 ALA H . . 5.380 5.110 4.423 5.455 0.075 3 0 "[ . 1 . 2]" 1
1549 1 86 CYS H 1 89 GLU H . . 5.500 4.041 3.715 4.669 . 0 0 "[ . 1 . 2]" 1
1550 1 86 CYS H 1 89 GLU HB2 . . 4.820 3.634 2.774 4.901 0.081 9 0 "[ . 1 . 2]" 1
1551 1 86 CYS H 1 89 GLU QB . . 4.610 3.455 2.734 4.345 . 0 0 "[ . 1 . 2]" 1
1552 1 86 CYS H 1 89 GLU HB3 . . 4.820 4.573 4.147 4.893 0.073 8 0 "[ . 1 . 2]" 1
1553 1 86 CYS H 1 89 GLU QG . . 5.920 2.726 2.046 4.231 . 0 0 "[ . 1 . 2]" 1
1554 1 86 CYS H 1 90 MET H . . 5.500 4.860 4.354 5.274 . 0 0 "[ . 1 . 2]" 1
1555 1 86 CYS HA 1 87 GLN H . . 3.390 2.333 2.239 2.616 . 0 0 "[ . 1 . 2]" 1
1556 1 86 CYS HA 1 87 GLN QB . . 6.380 4.183 4.107 4.310 . 0 0 "[ . 1 . 2]" 1
1557 1 86 CYS HA 1 88 ALA H . . 4.970 4.099 3.885 4.443 . 0 0 "[ . 1 . 2]" 1
1558 1 86 CYS QB 1 87 GLN H . . 3.680 2.781 2.406 3.490 . 0 0 "[ . 1 . 2]" 1
1559 1 86 CYS QB 1 88 ALA H . . 4.490 2.755 2.520 3.523 . 0 0 "[ . 1 . 2]" 1
1560 1 86 CYS HB2 1 87 GLN H . . 3.890 3.744 3.420 3.955 0.065 14 0 "[ . 1 . 2]" 1
1561 1 86 CYS HB2 1 88 ALA H . . 4.820 3.498 3.023 4.459 . 0 0 "[ . 1 . 2]" 1
1562 1 86 CYS HB2 1 89 GLU H . . 5.500 3.010 2.328 5.108 . 0 0 "[ . 1 . 2]" 1
1563 1 86 CYS HB3 1 87 GLN H . . 3.890 2.888 2.451 3.882 . 0 0 "[ . 1 . 2]" 1
1564 1 86 CYS HB3 1 88 ALA H . . 4.820 2.897 2.661 3.691 . 0 0 "[ . 1 . 2]" 1
1565 1 86 CYS HB3 1 89 GLU H . . 5.500 3.595 2.759 4.420 . 0 0 "[ . 1 . 2]" 1
1566 1 87 GLN H 1 87 GLN HB2 . . 4.200 2.673 2.567 2.764 . 0 0 "[ . 1 . 2]" 1
1567 1 87 GLN H 1 87 GLN QB . . 3.920 2.258 2.220 2.295 . 0 0 "[ . 1 . 2]" 1
1568 1 87 GLN H 1 87 GLN HB3 . . 4.200 2.438 2.349 2.547 . 0 0 "[ . 1 . 2]" 1
1569 1 87 GLN H 1 87 GLN HG2 . . 4.690 4.426 4.335 4.647 . 0 0 "[ . 1 . 2]" 1
1570 1 87 GLN H 1 87 GLN QG . . 4.530 3.967 3.925 4.032 . 0 0 "[ . 1 . 2]" 1
1571 1 87 GLN H 1 87 GLN HG3 . . 4.690 4.485 4.421 4.517 . 0 0 "[ . 1 . 2]" 1
1572 1 87 GLN H 1 88 ALA H . . 3.830 2.537 2.327 2.737 . 0 0 "[ . 1 . 2]" 1
1573 1 87 GLN H 1 88 ALA MB . . 5.530 4.209 3.999 4.396 . 0 0 "[ . 1 . 2]" 1
1574 1 87 GLN H 1 89 GLU H . . 5.500 4.308 4.113 4.703 . 0 0 "[ . 1 . 2]" 1
1575 1 87 GLN H 1 90 MET H . . 5.500 4.933 4.665 5.216 . 0 0 "[ . 1 . 2]" 1
1576 1 87 GLN HA 1 89 GLU H . . 5.410 4.179 3.922 4.643 . 0 0 "[ . 1 . 2]" 1
1577 1 87 GLN HA 1 90 MET H . . 3.980 3.170 2.878 3.754 . 0 0 "[ . 1 . 2]" 1
1578 1 87 GLN HA 1 90 MET ME . . 6.520 4.039 2.669 5.990 . 0 0 "[ . 1 . 2]" 1
1579 1 87 GLN HA 1 91 ILE H . . 4.940 4.217 3.598 4.794 . 0 0 "[ . 1 . 2]" 1
1580 1 87 GLN QB 1 88 ALA H . . 4.240 2.829 2.389 3.151 . 0 0 "[ . 1 . 2]" 1
1581 1 87 GLN QB 1 88 ALA HA . . 6.380 4.262 4.006 4.362 . 0 0 "[ . 1 . 2]" 1
1582 1 87 GLN QB 1 89 GLU H . . 6.380 4.930 4.671 5.296 . 0 0 "[ . 1 . 2]" 1
1583 1 87 GLN QB 1 91 ILE MG . . 7.400 4.613 3.871 5.502 . 0 0 "[ . 1 . 2]" 1
1584 1 87 GLN HB2 1 87 GLN HE22 . . 5.500 3.743 3.284 4.558 . 0 0 "[ . 1 . 2]" 1
1585 1 87 GLN HB2 1 88 ALA H . . 4.630 4.072 3.793 4.259 . 0 0 "[ . 1 . 2]" 1
1586 1 87 GLN HB3 1 87 GLN HE22 . . 5.500 4.590 3.993 5.344 . 0 0 "[ . 1 . 2]" 1
1587 1 87 GLN HB3 1 88 ALA H . . 4.630 2.887 2.415 3.246 . 0 0 "[ . 1 . 2]" 1
1588 1 87 GLN QE 1 90 MET QB . . 7.240 4.200 3.087 4.743 . 0 0 "[ . 1 . 2]" 1
1589 1 87 GLN QE 1 91 ILE MD . . 7.380 5.224 3.194 5.782 . 0 0 "[ . 1 . 2]" 1
1590 1 87 GLN QE 1 91 ILE MG . . 5.430 4.161 2.475 5.061 . 0 0 "[ . 1 . 2]" 1
1591 1 87 GLN HE21 1 91 ILE MG . . 5.680 4.468 2.515 5.988 0.308 20 0 "[ . 1 . 2]" 1
1592 1 87 GLN HE22 1 91 ILE MG . . 5.680 5.037 3.682 6.062 0.382 19 0 "[ . 1 . 2]" 1
1593 1 87 GLN QG 1 88 ALA H . . 5.220 3.706 3.362 3.972 . 0 0 "[ . 1 . 2]" 1
1594 1 87 GLN QG 1 88 ALA HA . . 6.380 3.713 3.279 3.929 . 0 0 "[ . 1 . 2]" 1
1595 1 87 GLN QG 1 91 ILE H . . 5.850 3.635 3.155 4.180 . 0 0 "[ . 1 . 2]" 1
1596 1 87 GLN QG 1 91 ILE MD . . 7.400 3.064 2.344 3.595 . 0 0 "[ . 1 . 2]" 1
1597 1 87 GLN QG 1 91 ILE QG . . 5.250 3.009 2.667 3.295 . 0 0 "[ . 1 . 2]" 1
1598 1 87 GLN QG 1 91 ILE MG . . 5.330 2.811 2.024 3.858 . 0 0 "[ . 1 . 2]" 1
1599 1 87 GLN HG2 1 88 ALA H . . 5.500 3.985 3.746 4.529 . 0 0 "[ . 1 . 2]" 1
1600 1 87 GLN HG2 1 88 ALA MB . . 6.520 4.796 4.553 5.310 . 0 0 "[ . 1 . 2]" 1
1601 1 87 GLN HG2 1 91 ILE HG12 . . 5.500 3.368 2.798 4.635 . 0 0 "[ . 1 . 2]" 1
1602 1 87 GLN HG2 1 91 ILE HG13 . . 5.500 4.960 4.515 5.659 0.159 4 0 "[ . 1 . 2]" 1
1603 1 87 GLN HG2 1 91 ILE MG . . 5.560 3.214 2.290 5.026 . 0 0 "[ . 1 . 2]" 1
1604 1 87 GLN HG3 1 88 ALA H . . 5.500 4.543 3.500 4.846 . 0 0 "[ . 1 . 2]" 1
1605 1 87 GLN HG3 1 88 ALA MB . . 6.520 5.551 4.285 5.849 . 0 0 "[ . 1 . 2]" 1
1606 1 87 GLN HG3 1 91 ILE HG12 . . 5.500 3.780 2.730 3.969 . 0 0 "[ . 1 . 2]" 1
1607 1 87 GLN HG3 1 91 ILE HG13 . . 5.500 5.436 4.055 5.622 0.122 2 0 "[ . 1 . 2]" 1
1608 1 87 GLN HG3 1 91 ILE MG . . 5.560 3.145 2.255 4.100 . 0 0 "[ . 1 . 2]" 1
1609 1 88 ALA H 1 88 ALA MB . . 3.420 2.232 2.221 2.267 . 0 0 "[ . 1 . 2]" 1
1610 1 88 ALA H 1 89 GLU H . . 3.730 2.764 2.672 2.868 . 0 0 "[ . 1 . 2]" 1
1611 1 88 ALA H 1 90 MET H . . 5.220 4.015 3.685 4.262 . 0 0 "[ . 1 . 2]" 1
1612 1 88 ALA H 1 91 ILE MG . . 6.520 5.567 5.114 6.217 . 0 0 "[ . 1 . 2]" 1
1613 1 88 ALA HA 1 91 ILE H . . 4.140 3.649 3.328 4.039 . 0 0 "[ . 1 . 2]" 1
1614 1 88 ALA HA 1 91 ILE HB . . 5.500 4.939 4.577 5.526 0.026 8 0 "[ . 1 . 2]" 1
1615 1 88 ALA HA 1 91 ILE MD . . 5.930 2.229 2.009 2.709 . 0 0 "[ . 1 . 2]" 1
1616 1 88 ALA HA 1 91 ILE HG12 . . 5.500 2.453 2.080 2.766 . 0 0 "[ . 1 . 2]" 1
1617 1 88 ALA HA 1 91 ILE QG . . 5.230 2.258 1.997 2.618 . 0 0 "[ . 1 . 2]" 1
1618 1 88 ALA HA 1 91 ILE HG13 . . 5.500 2.772 2.217 3.661 . 0 0 "[ . 1 . 2]" 1
1619 1 88 ALA HA 1 91 ILE MG . . 6.520 4.261 3.968 4.636 . 0 0 "[ . 1 . 2]" 1
1620 1 88 ALA HA 1 92 ILE H . . 4.880 4.097 3.689 4.589 . 0 0 "[ . 1 . 2]" 1
1621 1 88 ALA MB 1 89 GLU H . . 3.670 2.501 2.295 2.685 . 0 0 "[ . 1 . 2]" 1
1622 1 88 ALA MB 1 89 GLU HA . . 6.520 3.835 3.730 3.896 . 0 0 "[ . 1 . 2]" 1
1623 1 88 ALA MB 1 89 GLU QG . . 7.400 3.322 2.959 4.372 . 0 0 "[ . 1 . 2]" 1
1624 1 88 ALA MB 1 90 MET H . . 5.400 4.343 4.161 4.492 . 0 0 "[ . 1 . 2]" 1
1625 1 88 ALA MB 1 91 ILE H . . 6.520 4.807 4.587 5.049 . 0 0 "[ . 1 . 2]" 1
1626 1 88 ALA MB 1 92 ILE H . . 6.360 4.654 4.137 5.235 . 0 0 "[ . 1 . 2]" 1
1627 1 89 GLU H 1 89 GLU HB2 . . 3.980 2.879 2.171 3.587 . 0 0 "[ . 1 . 2]" 1
1628 1 89 GLU H 1 89 GLU QB . . 3.820 2.647 2.150 2.869 . 0 0 "[ . 1 . 2]" 1
1629 1 89 GLU H 1 89 GLU HB3 . . 3.980 3.419 2.718 3.595 . 0 0 "[ . 1 . 2]" 1
1630 1 89 GLU H 1 89 GLU HG2 . . 3.640 2.359 1.609 3.887 0.247 3 0 "[ . 1 . 2]" 1
1631 1 89 GLU H 1 89 GLU QG . . 3.470 1.929 1.605 3.357 . 0 0 "[ . 1 . 2]" 1
1632 1 89 GLU H 1 89 GLU HG3 . . 3.640 2.909 1.866 3.670 0.030 3 0 "[ . 1 . 2]" 1
1633 1 89 GLU H 1 90 MET H . . 3.420 2.567 2.336 2.800 . 0 0 "[ . 1 . 2]" 1
1634 1 89 GLU H 1 91 ILE H . . 5.040 4.440 4.230 4.599 . 0 0 "[ . 1 . 2]" 1
1635 1 89 GLU H 1 91 ILE HG12 . . 5.500 4.721 4.400 4.974 . 0 0 "[ . 1 . 2]" 1
1636 1 89 GLU H 1 91 ILE HG13 . . 5.500 5.126 4.805 5.520 0.020 8 0 "[ . 1 . 2]" 1
1637 1 89 GLU H 1 92 ILE MG . . 5.500 4.928 4.473 5.448 . 0 0 "[ . 1 . 2]" 1
1638 1 89 GLU HA 1 91 ILE QG . . 6.380 4.624 4.283 5.031 . 0 0 "[ . 1 . 2]" 1
1639 1 89 GLU HA 1 92 ILE H . . 4.380 3.809 3.670 3.931 . 0 0 "[ . 1 . 2]" 1
1640 1 89 GLU HA 1 92 ILE HB . . 4.760 4.827 4.760 4.912 0.152 11 0 "[ . 1 . 2]" 1
1641 1 89 GLU HA 1 92 ILE MD . . 6.520 2.341 1.995 2.772 . 0 0 "[ . 1 . 2]" 1
1642 1 89 GLU HA 1 92 ILE MG . . 6.520 3.785 3.592 3.954 . 0 0 "[ . 1 . 2]" 1
1643 1 89 GLU HA 1 93 PHE H . . 5.070 4.169 4.011 4.295 . 0 0 "[ . 1 . 2]" 1
1644 1 89 GLU HA 1 93 PHE QB . . 6.380 4.447 4.139 4.635 . 0 0 "[ . 1 . 2]" 1
1645 1 89 GLU HB2 1 90 MET H . . 5.190 3.021 2.640 3.842 . 0 0 "[ . 1 . 2]" 1
1646 1 89 GLU HB3 1 90 MET H . . 5.190 4.018 3.557 4.286 . 0 0 "[ . 1 . 2]" 1
1647 1 89 GLU QG 1 90 MET H . . 5.170 3.537 2.455 4.644 . 0 0 "[ . 1 . 2]" 1
1648 1 89 GLU QG 1 92 ILE MG . . 7.400 5.466 4.799 6.159 . 0 0 "[ . 1 . 2]" 1
1649 1 89 GLU HG2 1 90 MET H . . 5.500 4.032 2.480 5.311 . 0 0 "[ . 1 . 2]" 1
1650 1 89 GLU HG3 1 90 MET H . . 5.500 4.239 2.602 5.127 . 0 0 "[ . 1 . 2]" 1
1651 1 90 MET H 1 90 MET ME . . 6.520 4.561 3.819 5.841 . 0 0 "[ . 1 . 2]" 1
1652 1 90 MET H 1 90 MET HG2 . . 5.040 4.430 4.328 4.599 . 0 0 "[ . 1 . 2]" 1
1653 1 90 MET H 1 90 MET QG . . 4.770 3.988 3.939 4.058 . 0 0 "[ . 1 . 2]" 1
1654 1 90 MET H 1 90 MET HG3 . . 5.040 4.533 4.328 4.640 . 0 0 "[ . 1 . 2]" 1
1655 1 90 MET H 1 91 ILE H . . 3.640 2.677 2.554 2.932 . 0 0 "[ . 1 . 2]" 1
1656 1 90 MET H 1 91 ILE HG12 . . 5.500 3.836 3.688 4.176 . 0 0 "[ . 1 . 2]" 1
1657 1 90 MET H 1 91 ILE QG . . 5.350 3.646 3.519 3.886 . 0 0 "[ . 1 . 2]" 1
1658 1 90 MET H 1 91 ILE HG13 . . 5.500 4.587 4.260 4.996 . 0 0 "[ . 1 . 2]" 1
1659 1 90 MET H 1 91 ILE MG . . 6.520 4.701 4.353 5.123 . 0 0 "[ . 1 . 2]" 1
1660 1 90 MET H 1 92 ILE H . . 5.190 4.128 3.957 4.338 . 0 0 "[ . 1 . 2]" 1
1661 1 90 MET H 1 92 ILE MG . . 6.520 5.208 4.888 5.568 . 0 0 "[ . 1 . 2]" 1
1662 1 90 MET H 1 93 PHE H . . 5.500 4.703 4.593 4.894 . 0 0 "[ . 1 . 2]" 1
1663 1 90 MET HA 1 93 PHE H . . 4.350 3.746 3.508 4.093 . 0 0 "[ . 1 . 2]" 1
1664 1 90 MET HA 1 93 PHE QB . . 5.540 2.816 2.540 3.285 . 0 0 "[ . 1 . 2]" 1
1665 1 90 MET HA 1 94 GLU H . . 4.820 4.372 4.100 4.630 . 0 0 "[ . 1 . 2]" 1
1666 1 90 MET QB 1 91 ILE H . . 4.060 2.375 2.210 2.535 . 0 0 "[ . 1 . 2]" 1
1667 1 90 MET HB2 1 91 ILE H . . 4.350 3.749 3.587 3.911 . 0 0 "[ . 1 . 2]" 1
1668 1 90 MET HB3 1 91 ILE H . . 4.350 2.402 2.228 2.567 . 0 0 "[ . 1 . 2]" 1
1669 1 90 MET ME 1 91 ILE H . . 6.520 3.658 2.791 5.140 . 0 0 "[ . 1 . 2]" 1
1670 1 90 MET ME 1 93 PHE H . . 6.520 6.045 5.317 6.763 0.243 13 0 "[ . 1 . 2]" 1
1671 1 90 MET QG 1 91 ILE H . . 4.630 3.719 3.008 4.275 . 0 0 "[ . 1 . 2]" 1
1672 1 90 MET QG 1 94 GLU H . . 6.380 4.689 4.051 5.353 . 0 0 "[ . 1 . 2]" 1
1673 1 90 MET HG2 1 91 ILE H . . 5.220 4.123 3.072 4.813 . 0 0 "[ . 1 . 2]" 1
1674 1 90 MET HG3 1 91 ILE H . . 5.220 4.469 3.092 4.857 . 0 0 "[ . 1 . 2]" 1
1675 1 91 ILE H 1 91 ILE HB . . 3.520 3.578 3.533 3.612 0.092 3 0 "[ . 1 . 2]" 1
1676 1 91 ILE H 1 91 ILE MD . . 4.320 3.568 3.457 3.644 . 0 0 "[ . 1 . 2]" 1
1677 1 91 ILE H 1 91 ILE HG12 . . 3.300 1.873 1.703 1.985 . 0 0 "[ . 1 . 2]" 1
1678 1 91 ILE H 1 91 ILE QG . . 3.040 1.833 1.678 1.956 . 0 0 "[ . 1 . 2]" 1
1679 1 91 ILE H 1 91 ILE HG13 . . 3.300 2.643 2.325 2.952 . 0 0 "[ . 1 . 2]" 1
1680 1 91 ILE H 1 91 ILE MG . . 4.690 2.619 2.355 2.840 . 0 0 "[ . 1 . 2]" 1
1681 1 91 ILE H 1 92 ILE H . . 3.760 2.717 2.649 2.787 . 0 0 "[ . 1 . 2]" 1
1682 1 91 ILE H 1 93 PHE H . . 5.070 4.012 3.942 4.124 . 0 0 "[ . 1 . 2]" 1
1683 1 91 ILE H 1 94 GLU HG2 . . 5.500 4.907 4.325 5.599 0.099 20 0 "[ . 1 . 2]" 1
1684 1 91 ILE H 1 94 GLU QG . . 4.870 4.479 4.053 4.825 . 0 0 "[ . 1 . 2]" 1
1685 1 91 ILE H 1 94 GLU HG3 . . 5.500 5.314 4.209 5.583 0.083 1 0 "[ . 1 . 2]" 1
1686 1 91 ILE HA 1 91 ILE QG . . 3.980 3.279 3.239 3.314 . 0 0 "[ . 1 . 2]" 1
1687 1 91 ILE HA 1 94 GLU H . . 3.920 3.387 3.052 3.837 . 0 0 "[ . 1 . 2]" 1
1688 1 91 ILE HA 1 94 GLU HB2 . . 5.470 3.766 2.352 5.386 . 0 0 "[ . 1 . 2]" 1
1689 1 91 ILE HA 1 94 GLU QB . . 5.210 3.379 2.333 4.631 . 0 0 "[ . 1 . 2]" 1
1690 1 91 ILE HA 1 94 GLU HB3 . . 5.470 4.381 3.888 5.049 . 0 0 "[ . 1 . 2]" 1
1691 1 91 ILE HA 1 94 GLU HG2 . . 5.500 2.880 1.962 3.851 . 0 0 "[ . 1 . 2]" 1
1692 1 91 ILE HA 1 94 GLU QG . . 4.770 2.488 1.901 3.232 . 0 0 "[ . 1 . 2]" 1
1693 1 91 ILE HA 1 94 GLU HG3 . . 5.500 2.870 1.981 3.473 . 0 0 "[ . 1 . 2]" 1
1694 1 91 ILE HA 1 95 LEU H . . 5.500 4.102 3.880 4.462 . 0 0 "[ . 1 . 2]" 1
1695 1 91 ILE HB 1 92 ILE H . . 3.760 3.545 3.371 3.690 . 0 0 "[ . 1 . 2]" 1
1696 1 91 ILE MD 1 92 ILE H . . 5.130 3.832 3.630 4.146 . 0 0 "[ . 1 . 2]" 1
1697 1 91 ILE QG 1 92 ILE H . . 4.210 2.109 1.850 2.454 . 0 0 "[ . 1 . 2]" 1
1698 1 91 ILE QG 1 92 ILE HA . . 5.920 3.883 3.465 4.315 . 0 0 "[ . 1 . 2]" 1
1699 1 91 ILE QG 1 92 ILE HB . . 5.200 4.949 4.494 5.358 0.158 4 0 "[ . 1 . 2]" 1
1700 1 91 ILE QG 1 93 PHE H . . 5.790 4.339 4.141 4.531 . 0 0 "[ . 1 . 2]" 1
1701 1 91 ILE MG 1 92 ILE H . . 6.520 4.166 4.013 4.305 . 0 0 "[ . 1 . 2]" 1
1702 1 92 ILE H 1 92 ILE HB . . 3.580 3.645 3.631 3.660 0.080 4 0 "[ . 1 . 2]" 1
1703 1 92 ILE H 1 92 ILE MD . . 5.250 3.660 3.472 3.759 . 0 0 "[ . 1 . 2]" 1
1704 1 92 ILE H 1 92 ILE HG12 . . 5.040 2.743 2.049 3.293 . 0 0 "[ . 1 . 2]" 1
1705 1 92 ILE H 1 92 ILE QG . . 4.770 2.065 1.905 2.170 . 0 0 "[ . 1 . 2]" 1
1706 1 92 ILE H 1 92 ILE HG13 . . 5.040 2.573 1.918 3.296 . 0 0 "[ . 1 . 2]" 1
1707 1 92 ILE H 1 93 PHE H . . 3.670 2.548 2.468 2.602 . 0 0 "[ . 1 . 2]" 1
1708 1 92 ILE H 1 93 PHE QB . . 6.380 4.273 4.192 4.346 . 0 0 "[ . 1 . 2]" 1
1709 1 92 ILE HA 1 93 PHE HA . . 5.100 4.790 4.747 4.819 . 0 0 "[ . 1 . 2]" 1
1710 1 92 ILE HA 1 95 LEU H . . 4.290 3.431 3.049 3.798 . 0 0 "[ . 1 . 2]" 1
1711 1 92 ILE HA 1 95 LEU HB2 . . 4.450 2.648 2.100 2.901 . 0 0 "[ . 1 . 2]" 1
1712 1 92 ILE HA 1 95 LEU QB . . 4.040 2.621 2.086 2.859 . 0 0 "[ . 1 . 2]" 1
1713 1 92 ILE HA 1 95 LEU HB3 . . 4.450 4.188 3.613 4.489 0.039 14 0 "[ . 1 . 2]" 1
1714 1 92 ILE HA 1 95 LEU QD . . 5.500 2.336 1.798 2.893 . 0 0 "[ . 1 . 2]" 1
1715 1 92 ILE HA 1 95 LEU HG . . 5.070 3.237 2.167 4.202 . 0 0 "[ . 1 . 2]" 1
1716 1 92 ILE HA 1 96 SER H . . 4.910 3.999 3.701 4.466 . 0 0 "[ . 1 . 2]" 1
1717 1 92 ILE HB 1 93 PHE H . . 3.890 3.889 3.839 3.923 0.033 20 0 "[ . 1 . 2]" 1
1718 1 92 ILE HB 1 95 LEU QB . . 6.380 4.240 3.713 4.766 . 0 0 "[ . 1 . 2]" 1
1719 1 92 ILE MD 1 93 PHE H . . 4.720 3.230 2.491 4.024 . 0 0 "[ . 1 . 2]" 1
1720 1 92 ILE MD 1 95 LEU H . . 6.520 5.791 5.014 6.645 0.125 2 0 "[ . 1 . 2]" 1
1721 1 92 ILE MD 1 95 LEU QB . . 7.400 5.310 4.559 5.942 . 0 0 "[ . 1 . 2]" 1
1722 1 92 ILE MD 1 96 SER H . . 6.520 5.333 4.287 6.451 . 0 0 "[ . 1 . 2]" 1
1723 1 92 ILE MD 1 96 SER QB . . 7.400 4.813 3.571 6.009 . 0 0 "[ . 1 . 2]" 1
1724 1 92 ILE HG12 1 93 PHE H . . 5.500 3.454 2.699 4.108 . 0 0 "[ . 1 . 2]" 1
1725 1 92 ILE HG13 1 93 PHE H . . 5.500 2.364 2.233 2.502 . 0 0 "[ . 1 . 2]" 1
1726 1 92 ILE MG 1 93 PHE H . . 5.430 3.996 3.898 4.102 . 0 0 "[ . 1 . 2]" 1
1727 1 92 ILE MG 1 94 GLU H . . 6.520 5.634 5.453 5.808 . 0 0 "[ . 1 . 2]" 1
1728 1 93 PHE H 1 93 PHE HB2 . . 3.450 2.506 2.294 2.639 . 0 0 "[ . 1 . 2]" 1
1729 1 93 PHE H 1 93 PHE HB3 . . 3.450 2.508 2.379 2.739 . 0 0 "[ . 1 . 2]" 1
1730 1 93 PHE H 1 94 GLU H . . 3.830 2.682 2.573 2.785 . 0 0 "[ . 1 . 2]" 1
1731 1 93 PHE H 1 95 LEU H . . 5.500 4.020 3.910 4.194 . 0 0 "[ . 1 . 2]" 1
1732 1 93 PHE HA 1 96 SER H . . 5.500 3.658 3.438 4.029 . 0 0 "[ . 1 . 2]" 1
1733 1 93 PHE HA 1 97 LEU H . . 4.910 4.333 3.972 4.738 . 0 0 "[ . 1 . 2]" 1
1734 1 93 PHE HA 1 97 LEU QD . . 6.520 4.207 3.851 4.421 . 0 0 "[ . 1 . 2]" 1
1735 1 93 PHE QB 1 94 GLU H . . 4.090 2.376 2.272 2.448 . 0 0 "[ . 1 . 2]" 1
1736 1 93 PHE HB2 1 94 GLU H . . 4.260 3.747 3.545 3.844 . 0 0 "[ . 1 . 2]" 1
1737 1 93 PHE HB3 1 94 GLU H . . 4.260 2.403 2.299 2.481 . 0 0 "[ . 1 . 2]" 1
1738 1 93 PHE QD 1 94 GLU H . . 7.070 3.512 3.185 3.864 . 0 0 "[ . 1 . 2]" 1
1739 1 93 PHE QD 1 94 GLU HA . . 7.630 3.801 3.385 4.170 . 0 0 "[ . 1 . 2]" 1
1740 1 93 PHE QD 1 94 GLU QB . . 8.510 4.296 3.034 5.257 . 0 0 "[ . 1 . 2]" 1
1741 1 93 PHE QD 1 94 GLU QG . . 8.510 3.918 3.155 4.926 . 0 0 "[ . 1 . 2]" 1
1742 1 93 PHE QD 1 97 LEU QD . . 8.650 2.841 2.472 3.282 . 0 0 "[ . 1 . 2]" 1
1743 1 93 PHE QE 1 94 GLU QB . . 8.510 5.761 4.448 6.962 . 0 0 "[ . 1 . 2]" 1
1744 1 93 PHE QE 1 97 LEU QD . . 8.650 2.392 2.129 2.832 . 0 0 "[ . 1 . 2]" 1
1745 1 93 PHE HZ 1 97 LEU QD . . 5.430 2.881 2.552 3.313 . 0 0 "[ . 1 . 2]" 1
1746 1 94 GLU H 1 94 GLU HG2 . . 3.950 2.307 1.776 3.328 . 0 0 "[ . 1 . 2]" 1
1747 1 94 GLU H 1 94 GLU QG . . 3.500 2.117 1.763 2.315 . 0 0 "[ . 1 . 2]" 1
1748 1 94 GLU H 1 94 GLU HG3 . . 3.950 3.043 1.973 3.601 . 0 0 "[ . 1 . 2]" 1
1749 1 94 GLU H 1 95 LEU H . . 3.790 2.699 2.456 2.881 . 0 0 "[ . 1 . 2]" 1
1750 1 94 GLU H 1 95 LEU QB . . 6.380 4.690 4.370 4.853 . 0 0 "[ . 1 . 2]" 1
1751 1 94 GLU H 1 96 SER H . . 5.250 4.310 4.122 4.689 . 0 0 "[ . 1 . 2]" 1
1752 1 94 GLU H 1 97 LEU QD . . 6.520 4.084 3.885 4.255 . 0 0 "[ . 1 . 2]" 1
1753 1 94 GLU H 1 97 LEU HG . . 4.350 4.344 4.126 4.441 0.091 14 0 "[ . 1 . 2]" 1
1754 1 94 GLU HA 1 95 LEU QD . . 6.520 5.209 4.848 5.468 . 0 0 "[ . 1 . 2]" 1
1755 1 94 GLU HA 1 96 SER H . . 5.500 4.530 4.216 5.087 . 0 0 "[ . 1 . 2]" 1
1756 1 94 GLU HA 1 97 LEU H . . 4.140 3.380 2.942 3.826 . 0 0 "[ . 1 . 2]" 1
1757 1 94 GLU HA 1 97 LEU HB2 . . 4.690 2.844 2.414 3.270 . 0 0 "[ . 1 . 2]" 1
1758 1 94 GLU HA 1 97 LEU QB . . 4.550 2.802 2.392 3.212 . 0 0 "[ . 1 . 2]" 1
1759 1 94 GLU HA 1 97 LEU HB3 . . 4.690 4.247 3.838 4.702 0.012 14 0 "[ . 1 . 2]" 1
1760 1 94 GLU HA 1 97 LEU QD . . 5.060 2.136 1.833 2.686 . 0 0 "[ . 1 . 2]" 1
1761 1 94 GLU HA 1 97 LEU HG . . 3.950 2.624 1.910 3.220 . 0 0 "[ . 1 . 2]" 1
1762 1 94 GLU HA 1 98 ARG H . . 5.160 4.407 3.904 5.041 . 0 0 "[ . 1 . 2]" 1
1763 1 94 GLU QB 1 97 LEU QD . . 7.400 3.413 2.543 4.317 . 0 0 "[ . 1 . 2]" 1
1764 1 94 GLU HB2 1 95 LEU H . . 5.310 3.109 2.347 4.043 . 0 0 "[ . 1 . 2]" 1
1765 1 94 GLU HB2 1 95 LEU QD . . 6.520 4.113 3.331 5.222 . 0 0 "[ . 1 . 2]" 1
1766 1 94 GLU HB3 1 95 LEU H . . 5.310 3.799 3.313 4.249 . 0 0 "[ . 1 . 2]" 1
1767 1 94 GLU HB3 1 95 LEU QD . . 6.520 4.705 3.717 5.650 . 0 0 "[ . 1 . 2]" 1
1768 1 94 GLU QG 1 95 LEU H . . 4.770 3.204 1.831 4.150 . 0 0 "[ . 1 . 2]" 1
1769 1 94 GLU QG 1 95 LEU QD . . 7.400 4.157 3.146 4.985 . 0 0 "[ . 1 . 2]" 1
1770 1 94 GLU QG 1 95 LEU HG . . 6.190 4.051 2.399 5.308 . 0 0 "[ . 1 . 2]" 1
1771 1 94 GLU QG 1 97 LEU QD . . 7.400 4.056 3.483 4.731 . 0 0 "[ . 1 . 2]" 1
1772 1 94 GLU HG2 1 95 LEU H . . 5.500 3.956 3.068 4.532 . 0 0 "[ . 1 . 2]" 1
1773 1 94 GLU HG3 1 95 LEU H . . 5.500 3.613 1.843 4.994 . 0 0 "[ . 1 . 2]" 1
1774 1 95 LEU H 1 95 LEU HB2 . . 3.670 2.473 2.360 2.607 . 0 0 "[ . 1 . 2]" 1
1775 1 95 LEU H 1 95 LEU QB . . 3.440 2.431 2.329 2.548 . 0 0 "[ . 1 . 2]" 1
1776 1 95 LEU H 1 95 LEU HB3 . . 3.670 3.590 3.549 3.613 . 0 0 "[ . 1 . 2]" 1
1777 1 95 LEU H 1 95 LEU QD . . 4.570 3.065 2.741 3.239 . 0 0 "[ . 1 . 2]" 1
1778 1 95 LEU H 1 95 LEU HG . . 3.480 2.323 2.069 2.567 . 0 0 "[ . 1 . 2]" 1
1779 1 95 LEU H 1 96 SER H . . 3.480 2.735 2.598 2.852 . 0 0 "[ . 1 . 2]" 1
1780 1 95 LEU H 1 98 ARG H . . 5.500 4.996 4.646 5.615 0.115 5 0 "[ . 1 . 2]" 1
1781 1 95 LEU HA 1 95 LEU QD . . 4.100 1.990 1.911 2.120 . 0 0 "[ . 1 . 2]" 1
1782 1 95 LEU HA 1 95 LEU HG . . 4.040 3.080 2.850 3.308 . 0 0 "[ . 1 . 2]" 1
1783 1 95 LEU HA 1 98 ARG QB . . 6.380 3.338 2.586 5.426 . 0 0 "[ . 1 . 2]" 1
1784 1 95 LEU HA 1 99 SER H . . 5.500 4.361 3.999 4.811 . 0 0 "[ . 1 . 2]" 1
1785 1 95 LEU QB 1 97 LEU H . . 6.190 4.554 4.382 4.776 . 0 0 "[ . 1 . 2]" 1
1786 1 95 LEU HB2 1 96 SER H . . 3.830 2.468 2.227 2.693 . 0 0 "[ . 1 . 2]" 1
1787 1 95 LEU HB3 1 96 SER H . . 3.830 3.464 3.280 3.736 . 0 0 "[ . 1 . 2]" 1
1788 1 95 LEU QD 1 96 SER H . . 6.020 4.006 3.862 4.143 . 0 0 "[ . 1 . 2]" 1
1789 1 95 LEU QD 1 97 LEU H . . 6.520 5.295 5.068 5.499 . 0 0 "[ . 1 . 2]" 1
1790 1 95 LEU QD 1 98 ARG QB . . 6.310 4.087 3.412 5.772 . 0 0 "[ . 1 . 2]" 1
1791 1 95 LEU QD 1 98 ARG QD . . 5.680 3.541 2.265 5.724 0.044 18 0 "[ . 1 . 2]" 1
1792 1 95 LEU QD 1 99 SER QB . . 7.400 5.176 4.599 6.026 . 0 0 "[ . 1 . 2]" 1
1793 1 95 LEU HG 1 96 SER H . . 4.880 4.323 3.980 4.533 . 0 0 "[ . 1 . 2]" 1
1794 1 96 SER H 1 96 SER HB2 . . 4.040 2.582 2.413 3.587 . 0 0 "[ . 1 . 2]" 1
1795 1 96 SER H 1 96 SER HB3 . . 4.040 3.345 2.586 3.617 . 0 0 "[ . 1 . 2]" 1
1796 1 96 SER H 1 97 LEU H . . 3.480 2.713 2.395 2.946 . 0 0 "[ . 1 . 2]" 1
1797 1 96 SER H 1 98 ARG H . . 5.500 4.388 4.064 4.776 . 0 0 "[ . 1 . 2]" 1
1798 1 96 SER HA 1 98 ARG H . . 4.480 4.418 4.039 4.576 0.096 3 0 "[ . 1 . 2]" 1
1799 1 96 SER HA 1 99 SER H . . 5.190 3.439 2.988 3.990 . 0 0 "[ . 1 . 2]" 1
1800 1 96 SER HB2 1 97 LEU H . . 5.410 3.039 2.491 4.058 . 0 0 "[ . 1 . 2]" 1
1801 1 96 SER HB3 1 97 LEU H . . 5.410 3.627 2.634 4.113 . 0 0 "[ . 1 . 2]" 1
1802 1 97 LEU H 1 97 LEU QD . . 4.690 2.973 2.838 3.136 . 0 0 "[ . 1 . 2]" 1
1803 1 97 LEU H 1 97 LEU HG . . 3.020 2.249 2.104 2.418 . 0 0 "[ . 1 . 2]" 1
1804 1 97 LEU H 1 100 LEU QB . . 6.380 4.829 4.282 5.055 . 0 0 "[ . 1 . 2]" 1
1805 1 97 LEU H 1 100 LEU QD . . 6.520 5.372 4.557 5.845 . 0 0 "[ . 1 . 2]" 1
1806 1 97 LEU HA 1 99 SER H . . 5.500 4.478 4.144 4.790 . 0 0 "[ . 1 . 2]" 1
1807 1 97 LEU HA 1 100 LEU H . . 4.290 3.821 3.502 4.125 . 0 0 "[ . 1 . 2]" 1
1808 1 97 LEU HA 1 100 LEU HB2 . . 4.350 3.805 2.875 4.386 0.036 1 0 "[ . 1 . 2]" 1
1809 1 97 LEU HA 1 100 LEU QB . . 4.180 3.057 2.067 3.559 . 0 0 "[ . 1 . 2]" 1
1810 1 97 LEU HA 1 100 LEU HB3 . . 4.350 3.283 2.118 4.033 . 0 0 "[ . 1 . 2]" 1
1811 1 97 LEU HA 1 100 LEU QD . . 5.530 3.706 2.742 4.477 . 0 0 "[ . 1 . 2]" 1
1812 1 97 LEU HA 1 101 ALA H . . 5.500 4.356 3.002 5.522 0.022 4 0 "[ . 1 . 2]" 1
1813 1 97 LEU HB2 1 98 ARG H . . 4.170 2.479 2.329 2.887 . 0 0 "[ . 1 . 2]" 1
1814 1 97 LEU HB3 1 98 ARG H . . 4.170 3.536 3.174 3.913 . 0 0 "[ . 1 . 2]" 1
1815 1 97 LEU QD 1 98 ARG H . . 6.180 4.003 3.926 4.167 . 0 0 "[ . 1 . 2]" 1
1816 1 97 LEU QD 1 98 ARG QD . . 7.400 4.898 3.278 6.068 . 0 0 "[ . 1 . 2]" 1
1817 1 97 LEU QD 1 98 ARG QG . . 7.400 4.504 3.783 6.247 . 0 0 "[ . 1 . 2]" 1
1818 1 97 LEU QD 1 100 LEU HB2 . . 6.520 4.681 3.803 5.242 . 0 0 "[ . 1 . 2]" 1
1819 1 97 LEU QD 1 100 LEU QB . . 6.370 3.963 3.114 4.377 . 0 0 "[ . 1 . 2]" 1
1820 1 97 LEU QD 1 100 LEU HB3 . . 6.520 4.319 3.306 5.014 . 0 0 "[ . 1 . 2]" 1
1821 1 97 LEU QD 1 100 LEU QD . . 6.640 3.668 2.410 4.206 . 0 0 "[ . 1 . 2]" 1
1822 1 97 LEU HG 1 98 ARG H . . 4.570 4.249 4.128 4.401 . 0 0 "[ . 1 . 2]" 1
1823 1 98 ARG H 1 98 ARG HB2 . . 3.670 2.507 2.160 3.643 . 0 0 "[ . 1 . 2]" 1
1824 1 98 ARG H 1 98 ARG QB . . 3.420 2.394 2.109 2.831 . 0 0 "[ . 1 . 2]" 1
1825 1 98 ARG H 1 98 ARG HB3 . . 3.670 3.485 2.941 3.638 . 0 0 "[ . 1 . 2]" 1
1826 1 98 ARG H 1 98 ARG QD . . 5.330 3.297 1.693 4.251 . 0 0 "[ . 1 . 2]" 1
1827 1 98 ARG H 1 98 ARG HG2 . . 5.310 3.592 2.402 4.536 . 0 0 "[ . 1 . 2]" 1
1828 1 98 ARG H 1 98 ARG QG . . 4.900 2.607 2.140 4.027 . 0 0 "[ . 1 . 2]" 1
1829 1 98 ARG H 1 98 ARG HG3 . . 5.310 2.838 2.166 4.504 . 0 0 "[ . 1 . 2]" 1
1830 1 98 ARG H 1 99 SER QB . . 6.380 4.626 4.275 5.208 . 0 0 "[ . 1 . 2]" 1
1831 1 98 ARG HA 1 98 ARG QD . . 4.570 3.674 1.980 4.172 . 0 0 "[ . 1 . 2]" 1
1832 1 98 ARG HA 1 100 LEU H . . 5.160 3.990 3.361 4.607 . 0 0 "[ . 1 . 2]" 1
1833 1 98 ARG HA 1 101 ALA H . . 4.540 3.805 3.291 4.585 0.045 1 0 "[ . 1 . 2]" 1
1834 1 98 ARG HA 1 102 LEU QD . . 8.070 4.567 2.892 7.012 . 0 0 "[ . 1 . 2]" 1
1835 1 98 ARG QB 1 100 LEU H . . 6.320 4.566 4.275 4.895 . 0 0 "[ . 1 . 2]" 1
1836 1 98 ARG QB 1 102 LEU HG . . 6.380 5.608 4.058 8.380 2.000 20 3 "[ . 1 - *+]" 1
1837 1 98 ARG HB2 1 99 SER H . . 5.440 2.937 2.450 3.845 . 0 0 "[ . 1 . 2]" 1
1838 1 98 ARG HB3 1 99 SER H . . 5.440 3.687 2.487 4.249 . 0 0 "[ . 1 . 2]" 1
1839 1 98 ARG QG 1 99 SER H . . 5.020 4.033 2.134 4.644 . 0 0 "[ . 1 . 2]" 1
1840 1 98 ARG HG2 1 99 SER H . . 5.220 4.810 2.145 5.287 0.067 14 0 "[ . 1 . 2]" 1
1841 1 98 ARG HG3 1 99 SER H . . 5.220 4.477 3.833 5.181 . 0 0 "[ . 1 . 2]" 1
1842 1 99 SER H 1 100 LEU H . . 3.860 2.558 2.459 2.721 . 0 0 "[ . 1 . 2]" 1
1843 1 99 SER HA 1 101 ALA H . . 5.500 4.602 3.835 5.388 . 0 0 "[ . 1 . 2]" 1
1844 1 99 SER HA 1 102 LEU H . . 5.220 3.903 2.735 5.099 . 0 0 "[ . 1 . 2]" 1
1845 1 99 SER HA 1 102 LEU QD . . 8.070 3.349 1.987 6.447 . 0 0 "[ . 1 . 2]" 1
1846 1 99 SER QB 1 100 LEU H . . 5.500 3.120 2.545 3.628 . 0 0 "[ . 1 . 2]" 1
1847 1 99 SER QB 1 102 LEU H . . 6.380 5.156 4.335 6.063 . 0 0 "[ . 1 . 2]" 1
1848 1 99 SER QB 1 102 LEU QB . . 7.260 5.358 3.817 6.984 . 0 0 "[ . 1 . 2]" 1
1849 1 99 SER QB 1 102 LEU QD . . 8.950 4.350 2.843 6.891 . 0 0 "[ . 1 . 2]" 1
1850 1 100 LEU H 1 100 LEU HB2 . . 3.830 2.607 2.361 2.883 . 0 0 "[ . 1 . 2]" 1
1851 1 100 LEU H 1 100 LEU QB . . 3.490 2.295 2.199 2.472 . 0 0 "[ . 1 . 2]" 1
1852 1 100 LEU H 1 100 LEU HB3 . . 3.830 2.570 2.397 2.701 . 0 0 "[ . 1 . 2]" 1
1853 1 100 LEU H 1 100 LEU HG . . 5.100 4.520 4.433 4.591 . 0 0 "[ . 1 . 2]" 1
1854 1 100 LEU H 1 101 ALA H . . 3.450 2.409 2.093 2.581 . 0 0 "[ . 1 . 2]" 1
1855 1 100 LEU H 1 102 LEU H . . 5.250 3.660 3.074 4.259 . 0 0 "[ . 1 . 2]" 1
1856 1 100 LEU QB 1 102 LEU H . . 5.130 4.408 3.981 4.593 . 0 0 "[ . 1 . 2]" 1
1857 1 100 LEU HB2 1 101 ALA H . . 4.880 3.745 3.466 4.098 . 0 0 "[ . 1 . 2]" 1
1858 1 100 LEU HB2 1 102 LEU H . . 5.310 5.415 5.336 5.532 0.222 8 0 "[ . 1 . 2]" 1
1859 1 100 LEU HB3 1 101 ALA H . . 4.880 2.510 2.003 3.106 . 0 0 "[ . 1 . 2]" 1
1860 1 100 LEU HB3 1 102 LEU H . . 5.310 4.675 4.108 4.958 . 0 0 "[ . 1 . 2]" 1
1861 1 100 LEU QD 1 101 ALA H . . 5.370 3.696 2.800 4.221 . 0 0 "[ . 1 . 2]" 1
1862 1 100 LEU HG 1 101 ALA H . . 4.320 4.089 3.574 4.388 0.068 19 0 "[ . 1 . 2]" 1
1863 1 100 LEU HG 1 101 ALA HA . . 5.500 4.240 3.731 5.037 . 0 0 "[ . 1 . 2]" 1
1864 1 101 ALA HA 1 103 GLU H . . 5.190 4.210 3.245 5.221 0.031 11 0 "[ . 1 . 2]" 1
1865 1 101 ALA MB 1 102 LEU H . . 4.260 3.095 2.538 3.685 . 0 0 "[ . 1 . 2]" 1
1866 1 101 ALA MB 1 103 GLU H . . 6.520 4.435 2.575 5.384 . 0 0 "[ . 1 . 2]" 1
1867 1 102 LEU H 1 102 LEU HB2 . . 3.980 2.966 2.345 3.739 . 0 0 "[ . 1 . 2]" 1
1868 1 102 LEU H 1 102 LEU QB . . 3.460 2.703 2.315 3.368 . 0 0 "[ . 1 . 2]" 1
1869 1 102 LEU H 1 102 LEU HB3 . . 3.980 3.580 2.547 4.072 0.092 18 0 "[ . 1 . 2]" 1
1870 1 102 LEU H 1 102 LEU MD1 . . 5.160 3.807 2.364 4.697 . 0 0 "[ . 1 . 2]" 1
1871 1 102 LEU H 1 102 LEU QD . . 4.820 3.047 1.523 3.962 . 0 0 "[ . 1 . 2]" 1
1872 1 102 LEU H 1 102 LEU MD2 . . 5.160 3.450 1.524 4.570 . 0 0 "[ . 1 . 2]" 1
1873 1 102 LEU H 1 102 LEU HG . . 3.890 2.872 1.916 3.959 0.069 1 0 "[ . 1 . 2]" 1
1874 1 102 LEU H 1 103 GLU H . . 3.670 3.146 2.054 3.774 0.104 18 0 "[ . 1 . 2]" 1
1875 1 102 LEU QB 1 103 GLU H . . 4.240 3.146 2.019 3.877 . 0 0 "[ . 1 . 2]" 1
1876 1 102 LEU HB2 1 103 GLU H . . 4.420 3.496 2.048 4.486 0.066 17 0 "[ . 1 . 2]" 1
1877 1 102 LEU HB3 1 103 GLU H . . 4.420 3.763 2.430 4.391 . 0 0 "[ . 1 . 2]" 1
1878 1 102 LEU MD1 1 103 GLU H . . 6.520 4.436 1.948 5.638 . 0 0 "[ . 1 . 2]" 1
1879 1 102 LEU MD2 1 103 GLU H . . 6.520 4.390 2.734 5.505 . 0 0 "[ . 1 . 2]" 1
1880 1 102 LEU HG 1 103 GLU H . . 5.250 4.312 1.722 5.240 . 0 0 "[ . 1 . 2]" 1
1881 1 103 GLU H 1 103 GLU HG2 . . 4.910 3.629 2.184 4.590 . 0 0 "[ . 1 . 2]" 1
1882 1 103 GLU H 1 103 GLU HG3 . . 4.910 3.430 1.751 4.744 . 0 0 "[ . 1 . 2]" 1
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