NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409004 |
1z66   |
5971 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z66
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 1427
_Distance_constraint_stats_list.Viol_count 2233
_Distance_constraint_stats_list.Viol_total 6752.095
_Distance_constraint_stats_list.Viol_max 0.998
_Distance_constraint_stats_list.Viol_rms 0.0623
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.1512
_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 4 THR 16.213 0.590 19 8 "[ * * *1* .*- +*]"
1 5 TYR 9.665 0.590 19 8 "[ * * *1* .*- +*]"
1 6 THR 5.309 0.292 9 0 "[ . 1 . 2]"
1 7 VAL 0.014 0.010 11 0 "[ . 1 . 2]"
1 8 CYS 2.453 0.250 7 0 "[ . 1 . 2]"
1 9 ASP 1.531 0.570 18 1 "[ . 1 . + 2]"
1 10 LYS 10.202 0.607 3 5 "[* + . 1 ** -2]"
1 11 THR 12.490 0.779 7 8 "[* * . + * ** *-2]"
1 12 LYS 6.696 0.979 10 3 "[ . * + . - 2]"
1 13 PHE 15.483 0.835 15 11 "[ *** **** + **-2]"
1 14 THR 2.698 0.367 8 0 "[ . 1 . 2]"
1 15 TRP 22.111 0.835 15 11 "[ *** **** + **-2]"
1 16 LYS 15.081 0.536 7 3 "[ . + 1- . *2]"
1 17 ARG 6.944 0.480 17 0 "[ . 1 . 2]"
1 18 ALA 1.174 0.114 9 0 "[ . 1 . 2]"
1 19 PRO 15.922 0.926 13 5 "[ * * 1 + .* *2]"
1 20 THR 10.001 0.417 7 0 "[ . 1 . 2]"
1 21 ASP 11.372 0.417 7 0 "[ . 1 . 2]"
1 22 SER 5.611 0.280 11 0 "[ . 1 . 2]"
1 23 GLY 2.481 0.284 12 0 "[ . 1 . 2]"
1 24 HIS 1.175 0.107 3 0 "[ . 1 . 2]"
1 25 ASP 4.088 0.239 7 0 "[ . 1 . 2]"
1 26 THR 8.850 0.489 11 0 "[ . 1 . 2]"
1 27 VAL 0.792 0.229 16 0 "[ . 1 . 2]"
1 28 VAL 13.764 0.659 10 2 "[ -. + . 2]"
1 29 MET 5.415 0.390 5 0 "[ . 1 . 2]"
1 30 GLU 7.065 0.480 17 0 "[ . 1 . 2]"
1 31 VAL 11.475 0.935 19 6 "[ ** . - 1* *. +2]"
1 32 GLY 7.370 0.536 7 3 "[ . + 1- . *2]"
1 33 PHE 6.875 0.979 10 2 "[ -. + . 2]"
1 34 SER 2.244 0.297 1 0 "[ . 1 . 2]"
1 35 GLY 2.227 0.348 20 0 "[ . 1 . 2]"
1 36 THR 8.087 0.348 20 0 "[ . 1 . 2]"
1 37 ARG 0.928 0.072 11 0 "[ . 1 . 2]"
1 38 PRO 3.860 0.142 1 0 "[ . 1 . 2]"
1 39 CYS 8.914 0.320 16 0 "[ . 1 . 2]"
1 40 ARG 3.002 0.314 19 0 "[ . 1 . 2]"
1 41 ILE 0.253 0.047 1 0 "[ . 1 . 2]"
1 42 PRO 4.881 0.314 19 0 "[ . 1 . 2]"
1 43 VAL 23.028 0.989 20 20 [***-***************+]
1 44 ARG 1.949 0.123 16 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.880 0.085 2 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 HIS 13.931 0.998 8 8 "[** . +*1 - . ***2]"
1 49 GLY 4.728 0.319 3 0 "[ . 1 . 2]"
1 50 VAL 4.286 0.266 14 0 "[ . 1 . 2]"
1 51 PRO 8.872 0.266 14 0 "[ . 1 . 2]"
1 52 GLU 6.968 0.731 11 1 "[ . 1+ . 2]"
1 53 VAL 2.318 0.731 11 1 "[ . 1+ . 2]"
1 54 ASN 2.635 0.198 12 0 "[ . 1 . 2]"
1 55 VAL 7.972 0.918 6 8 "[ * .+ * *** * -]"
1 56 ALA 11.365 0.634 20 10 "[ *** **1 *.*-* +]"
1 57 MET 12.005 0.918 6 8 "[ * .+ * *** * *]"
1 58 LEU 14.950 0.634 20 10 "[ *** **1 *.*-* +]"
1 59 ILE 11.568 0.468 1 0 "[ . 1 . 2]"
1 60 THR 5.602 0.468 1 0 "[ . 1 . 2]"
1 61 PRO 4.268 0.183 5 0 "[ . 1 . 2]"
1 62 ASN 4.661 0.168 11 0 "[ . 1 . 2]"
1 63 PRO 3.913 0.846 4 1 "[ +. 1 . 2]"
1 64 THR 1.838 0.237 20 0 "[ . 1 . 2]"
1 65 MET 12.965 0.518 4 1 "[ +. 1 . 2]"
1 66 GLU 5.521 0.474 7 0 "[ . 1 . 2]"
1 67 ASN 4.348 0.580 11 2 "[ . 1+ - . 2]"
1 68 ASN 6.642 0.580 11 2 "[ . 1+ - . 2]"
1 69 GLY 5.102 0.297 1 0 "[ . 1 . 2]"
1 70 GLY 1.616 0.195 7 0 "[ . 1 . 2]"
1 71 GLY 1.642 0.396 19 0 "[ . 1 . 2]"
1 72 PHE 6.059 0.404 9 0 "[ . 1 . 2]"
1 73 ILE 10.783 0.503 7 1 "[ . + 1 . 2]"
1 74 GLU 9.827 0.659 10 2 "[ -. + . 2]"
1 75 MET 12.714 0.489 11 0 "[ . 1 . 2]"
1 76 GLN 18.141 0.985 11 5 "[* - . * 1+ * . 2]"
1 77 LEU 0.044 0.044 3 0 "[ . 1 . 2]"
1 79 PRO 5.174 0.245 18 0 "[ . 1 . 2]"
1 80 GLY 2.063 0.306 4 0 "[ . 1 . 2]"
1 81 ASP 2.586 0.306 4 0 "[ . 1 . 2]"
1 82 ASN 9.958 0.985 11 2 "[ . 1+ * . 2]"
1 83 ILE 16.547 0.926 13 5 "[ * * 1 + .* *2]"
1 84 ILE 29.300 0.989 20 20 [***-***************+]
1 85 TYR 3.108 0.123 16 0 "[ . 1 . 2]"
1 86 VAL 3.005 0.294 17 0 "[ . 1 . 2]"
1 87 GLY 0.551 0.087 19 0 "[ . 1 . 2]"
1 88 ASP 0.323 0.114 4 0 "[ . 1 . 2]"
1 89 LEU 18.677 0.935 19 5 "[ -* . 1* *. +2]"
1 90 ASN 6.044 0.490 19 0 "[ . 1 . 2]"
1 91 HIS 1.530 0.105 15 0 "[ . 1 . 2]"
1 92 GLN 6.009 0.319 3 0 "[ . 1 . 2]"
1 93 TRP 3.870 0.193 19 0 "[ . 1 . 2]"
1 94 PHE 0.216 0.067 12 0 "[ . 1 . 2]"
1 95 GLN 8.400 0.587 7 3 "[* - . + 1 . 2]"
1 96 LYS 0.455 0.154 17 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 4 THR H 1 4 THR MG 3.299 . 4.659 1.909 1.835 2.013 0.104 4 0 "[ . 1 . 2]" 1
2 1 4 THR H 1 5 TYR HA 3.271 . 4.608 5.085 4.853 5.198 0.590 19 8 "[ * * *1* .*- +*]" 1
3 1 4 THR H 1 36 THR HA 3.080 . 4.266 3.579 3.159 4.098 . 0 0 "[ . 1 . 2]" 1
4 1 4 THR HA 1 4 THR HB 2.622 . 3.481 2.401 2.375 2.439 . 0 0 "[ . 1 . 2]" 1
5 1 4 THR HA 1 4 THR MG 2.391 . 5.500 3.210 3.203 3.217 . 0 0 "[ . 1 . 2]" 1
6 1 4 THR HB 1 36 THR HA 2.625 . 5.500 5.391 5.083 5.544 0.044 2 0 "[ . 1 . 2]" 1
7 1 4 THR MG 1 6 THR H 3.337 . 4.729 4.834 4.505 5.021 0.292 9 0 "[ . 1 . 2]" 1
8 1 4 THR MG 1 6 THR HB 2.272 . 5.500 5.058 4.956 5.174 . 0 0 "[ . 1 . 2]" 1
9 1 4 THR MG 1 36 THR HA 2.211 . 2.568 2.712 2.567 2.836 0.268 11 0 "[ . 1 . 2]" 1
10 1 4 THR MG 1 36 THR HB 2.579 . 5.500 4.187 3.837 4.540 . 0 0 "[ . 1 . 2]" 1
11 1 5 TYR HB2 1 6 THR H 2.601 . 3.447 3.315 3.144 3.543 0.096 5 0 "[ . 1 . 2]" 1
12 1 5 TYR HB2 1 39 CYS QB 1.784 . 5.500 4.331 3.758 4.719 . 0 0 "[ . 1 . 2]" 1
13 1 6 THR H 1 6 THR HA 2.599 . 3.444 2.807 2.771 2.868 . 0 0 "[ . 1 . 2]" 1
14 1 6 THR H 1 6 THR HB 2.604 . 5.500 3.475 3.378 3.528 . 0 0 "[ . 1 . 2]" 1
15 1 6 THR H 1 6 THR MG 2.488 . 3.262 2.744 2.532 2.856 . 0 0 "[ . 1 . 2]" 1
16 1 6 THR H 1 7 VAL H 3.174 . 4.434 4.325 4.295 4.354 . 0 0 "[ . 1 . 2]" 1
17 1 6 THR H 1 8 CYS QB 2.809 . 5.500 4.898 3.997 5.348 . 0 0 "[ . 1 . 2]" 1
18 1 6 THR H 1 39 CYS HA 3.010 . 4.143 2.671 2.426 3.118 . 0 0 "[ . 1 . 2]" 1
19 1 6 THR H 1 40 ARG H 3.369 . 4.788 3.579 3.375 4.061 . 0 0 "[ . 1 . 2]" 1
20 1 6 THR HA 1 6 THR HB 2.253 . 2.887 2.524 2.502 2.562 . 0 0 "[ . 1 . 2]" 1
21 1 6 THR HA 1 6 THR MG 2.571 . 5.500 3.219 3.212 3.223 . 0 0 "[ . 1 . 2]" 1
22 1 6 THR HA 1 7 VAL H 2.053 . 5.500 2.724 2.635 2.802 . 0 0 "[ . 1 . 2]" 1
23 1 6 THR HA 1 7 VAL HB 2.870 . 5.500 5.302 5.071 5.469 . 0 0 "[ . 1 . 2]" 1
24 1 6 THR HA 1 8 CYS H 3.321 . 5.500 5.619 5.547 5.750 0.250 7 0 "[ . 1 . 2]" 1
25 1 6 THR HA 1 40 ARG H 3.416 . 4.875 4.144 3.948 4.566 . 0 0 "[ . 1 . 2]" 1
26 1 6 THR HB 1 6 THR MG 2.105 . 2.659 2.131 2.127 2.134 . 0 0 "[ . 1 . 2]" 1
27 1 6 THR HB 1 7 VAL H 2.361 . 5.500 3.673 3.583 3.808 . 0 0 "[ . 1 . 2]" 1
28 1 6 THR HG1 1 7 VAL H 2.588 . 3.425 2.778 2.150 3.173 . 0 0 "[ . 1 . 2]" 1
29 1 6 THR MG 1 39 CYS QB 3.154 . 5.500 3.564 3.396 3.717 . 0 0 "[ . 1 . 2]" 1
30 1 7 VAL H 1 7 VAL HA 2.511 . 3.299 2.839 2.817 2.857 . 0 0 "[ . 1 . 2]" 1
31 1 7 VAL H 1 7 VAL HB 2.168 . 2.756 2.649 2.547 2.766 0.010 11 0 "[ . 1 . 2]" 1
32 1 7 VAL H 1 7 VAL QG 2.164 . 2.749 1.998 1.850 2.145 . 0 0 "[ . 1 . 2]" 1
33 1 7 VAL H 1 8 CYS H 3.298 . 4.657 4.394 4.353 4.440 . 0 0 "[ . 1 . 2]" 1
34 1 7 VAL H 1 8 CYS H 3.262 . 4.592 3.905 3.791 4.025 . 0 0 "[ . 1 . 2]" 1
35 1 7 VAL HA 1 7 VAL HB 2.810 . 3.797 2.936 2.405 3.036 . 0 0 "[ . 1 . 2]" 1
36 1 7 VAL HA 1 7 VAL QG 2.569 . 2.671 2.166 2.112 2.347 . 0 0 "[ . 1 . 2]" 1
37 1 7 VAL HA 1 8 CYS H 2.170 . 2.759 2.148 2.122 2.174 . 0 0 "[ . 1 . 2]" 1
38 1 7 VAL HA 1 40 ARG H 2.654 . 3.534 2.833 2.431 3.075 . 0 0 "[ . 1 . 2]" 1
39 1 7 VAL HA 1 40 ARG QB . . 2.547 2.117 1.869 2.498 . 0 0 "[ . 1 . 2]" 1
40 1 7 VAL HB 1 7 VAL QG 2.000 . 2.500 1.895 1.889 1.900 . 0 0 "[ . 1 . 2]" 1
41 1 7 VAL HB 1 8 CYS H 3.219 . 4.514 4.288 4.108 4.364 . 0 0 "[ . 1 . 2]" 1
42 1 7 VAL QG 1 8 CYS H 2.399 . 3.118 2.945 2.750 3.041 . 0 0 "[ . 1 . 2]" 1
43 1 7 VAL QG 1 40 ARG H 3.226 . 5.500 3.956 3.568 4.479 . 0 0 "[ . 1 . 2]" 1
44 1 7 VAL QG 1 40 ARG QB 2.666 . 3.554 2.386 1.885 3.140 . 0 0 "[ . 1 . 2]" 1
45 1 7 VAL QG 1 42 PRO HB2 2.792 . 5.500 4.473 3.891 4.670 . 0 0 "[ . 1 . 2]" 1
46 1 7 VAL QG 1 42 PRO HB3 2.775 . 3.737 3.139 2.552 3.391 . 0 0 "[ . 1 . 2]" 1
47 1 7 VAL QG 1 42 PRO HB3 2.371 . 3.074 2.819 2.346 3.052 . 0 0 "[ . 1 . 2]" 1
48 1 7 VAL QG 1 42 PRO HD3 2.837 . 3.843 2.842 2.352 3.126 . 0 0 "[ . 1 . 2]" 1
49 1 7 VAL QG 1 42 PRO QG 2.895 . 3.943 3.206 2.737 3.636 . 0 0 "[ . 1 . 2]" 1
50 1 8 CYS H 1 8 CYS HA 2.834 . 3.838 2.836 2.819 2.870 . 0 0 "[ . 1 . 2]" 1
51 1 8 CYS H 1 8 CYS QB 2.936 . 3.705 2.537 2.066 2.947 . 0 0 "[ . 1 . 2]" 1
52 1 8 CYS H 1 9 ASP H 3.366 . 4.782 4.558 4.523 4.592 . 0 0 "[ . 1 . 2]" 1
53 1 8 CYS H 1 39 CYS HA 3.414 . 4.871 4.686 4.406 4.921 0.050 2 0 "[ . 1 . 2]" 1
54 1 8 CYS H 1 39 CYS QB 3.172 . 4.430 2.656 2.356 2.807 . 0 0 "[ . 1 . 2]" 1
55 1 8 CYS H 1 40 ARG QB 3.538 . 5.103 3.567 3.169 3.958 . 0 0 "[ . 1 . 2]" 1
56 1 8 CYS H 1 42 PRO HD2 3.275 . 5.500 4.418 4.081 4.894 . 0 0 "[ . 1 . 2]" 1
57 1 8 CYS H 1 42 PRO HD3 3.012 . 4.146 3.222 2.952 3.565 . 0 0 "[ . 1 . 2]" 1
58 1 8 CYS HA 1 9 ASP H 2.263 . 2.903 2.182 2.084 2.369 . 0 0 "[ . 1 . 2]" 1
59 1 8 CYS HA 1 9 ASP QB 2.629 . 3.493 3.085 2.713 3.368 . 0 0 "[ . 1 . 2]" 1
60 1 8 CYS HA 1 39 CYS QB 2.858 . 3.879 3.230 2.767 3.631 . 0 0 "[ . 1 . 2]" 1
61 1 8 CYS QB 1 9 ASP H 3.212 . 4.502 2.869 2.290 3.295 . 0 0 "[ . 1 . 2]" 1
62 1 8 CYS QB 1 9 ASP QB 1.892 . 5.500 4.306 3.843 4.649 . 0 0 "[ . 1 . 2]" 1
63 1 8 CYS QB 1 12 LYS QB 2.757 . 3.707 3.300 3.032 3.473 . 0 0 "[ . 1 . 2]" 1
64 1 8 CYS QB 1 39 CYS HA 2.836 . 5.500 4.740 4.296 5.237 . 0 0 "[ . 1 . 2]" 1
65 1 8 CYS QB 1 39 CYS QB 2.669 . 3.559 2.450 2.014 2.901 . 0 0 "[ . 1 . 2]" 1
66 1 8 CYS QB 1 40 ARG H 3.424 . 5.500 4.430 3.795 4.912 . 0 0 "[ . 1 . 2]" 1
67 1 8 CYS QB 1 42 PRO HD2 3.216 . 4.509 3.827 2.944 4.401 . 0 0 "[ . 1 . 2]" 1
68 1 8 CYS QB 1 42 PRO HD3 3.289 . 4.641 3.800 2.795 4.403 . 0 0 "[ . 1 . 2]" 1
69 1 9 ASP H 1 9 ASP HA 2.613 . 3.467 2.850 2.790 2.917 . 0 0 "[ . 1 . 2]" 1
70 1 9 ASP H 1 9 ASP QB 2.289 . 2.944 2.238 2.125 2.295 . 0 0 "[ . 1 . 2]" 1
71 1 9 ASP H 1 10 LYS H 3.204 . 5.500 4.553 4.504 4.583 . 0 0 "[ . 1 . 2]" 1
72 1 9 ASP H 1 12 LYS QB 3.352 . 4.757 3.651 2.754 4.337 . 0 0 "[ . 1 . 2]" 1
73 1 9 ASP H 1 39 CYS QB 3.568 . 5.500 4.975 4.568 5.329 . 0 0 "[ . 1 . 2]" 1
74 1 9 ASP HA 1 9 ASP QB 2.461 . 3.218 2.386 2.313 2.439 . 0 0 "[ . 1 . 2]" 1
75 1 9 ASP HA 1 10 LYS H 2.080 . 2.621 2.197 2.096 2.298 . 0 0 "[ . 1 . 2]" 1
76 1 9 ASP HA 1 10 LYS QG 2.684 . 3.584 3.614 3.492 3.689 0.105 9 0 "[ . 1 . 2]" 1
77 1 9 ASP HA 1 11 THR H 3.121 . 4.339 4.052 3.880 4.231 . 0 0 "[ . 1 . 2]" 1
78 1 9 ASP QB 1 10 LYS H 3.237 . 4.547 3.420 3.278 3.554 . 0 0 "[ . 1 . 2]" 1
79 1 9 ASP QB 1 12 LYS H 3.169 . 4.424 3.544 2.950 4.076 . 0 0 "[ . 1 . 2]" 1
80 1 9 ASP QB 1 12 LYS QD 2.385 . 3.096 2.649 1.728 2.994 . 0 0 "[ . 1 . 2]" 1
81 1 9 ASP QB 1 12 LYS HG2 2.995 . 4.116 3.240 1.901 4.686 0.570 18 1 "[ . 1 . + 2]" 1
82 1 10 LYS H 1 10 LYS HA 2.703 . 3.616 2.798 2.727 2.857 . 0 0 "[ . 1 . 2]" 1
83 1 10 LYS H 1 10 LYS HB2 2.561 . 5.500 3.523 3.474 3.545 . 0 0 "[ . 1 . 2]" 1
84 1 10 LYS H 1 10 LYS HB3 2.695 . 3.603 2.678 2.429 2.771 . 0 0 "[ . 1 . 2]" 1
85 1 10 LYS H 1 10 LYS HD2 2.709 . 5.500 3.579 3.092 4.570 . 0 0 "[ . 1 . 2]" 1
86 1 10 LYS H 1 10 LYS QG 2.357 . 3.051 1.721 1.632 1.956 0.031 7 0 "[ . 1 . 2]" 1
87 1 10 LYS H 1 11 THR H 2.745 . 3.687 2.748 2.557 2.935 . 0 0 "[ . 1 . 2]" 1
88 1 10 LYS H 1 11 THR HB 3.206 . 4.491 4.921 4.638 5.098 0.607 3 5 "[* + . 1 ** -2]" 1
89 1 10 LYS H 1 11 THR MG 3.256 . 4.581 4.115 3.818 4.369 . 0 0 "[ . 1 . 2]" 1
90 1 10 LYS H 1 12 LYS H 3.465 . 4.966 4.369 4.184 4.579 . 0 0 "[ . 1 . 2]" 1
91 1 10 LYS H 1 88 ASP H 3.604 . 5.500 5.393 5.038 5.536 0.036 1 0 "[ . 1 . 2]" 1
92 1 10 LYS HA 1 10 LYS HB2 2.464 . 3.223 2.541 2.504 2.582 . 0 0 "[ . 1 . 2]" 1
93 1 10 LYS HA 1 10 LYS HB3 2.513 . 3.302 2.347 2.306 2.420 . 0 0 "[ . 1 . 2]" 1
94 1 10 LYS HA 1 10 LYS QG 2.549 . 5.500 3.378 3.256 3.442 . 0 0 "[ . 1 . 2]" 1
95 1 10 LYS HA 1 11 THR H 3.311 . 4.681 3.425 3.372 3.510 . 0 0 "[ . 1 . 2]" 1
96 1 10 LYS HA 1 12 LYS H 3.441 . 4.921 3.800 3.575 4.134 . 0 0 "[ . 1 . 2]" 1
97 1 10 LYS HA 1 87 GLY H 3.579 . 5.500 5.368 4.753 5.587 0.087 19 0 "[ . 1 . 2]" 1
98 1 10 LYS HA 1 87 GLY QA 2.614 . 3.468 2.683 1.948 3.002 . 0 0 "[ . 1 . 2]" 1
99 1 10 LYS HB2 1 10 LYS HD2 2.439 . 3.182 2.793 2.263 3.093 . 0 0 "[ . 1 . 2]" 1
100 1 10 LYS HB2 1 10 LYS QG 2.552 . 3.366 2.421 2.311 2.461 . 0 0 "[ . 1 . 2]" 1
101 1 10 LYS HB2 1 11 THR H 3.486 . 5.005 4.011 3.866 4.118 . 0 0 "[ . 1 . 2]" 1
102 1 10 LYS HB2 1 42 PRO QG 1.565 . 5.500 4.755 3.930 5.228 . 0 0 "[ . 1 . 2]" 1
103 1 10 LYS HB3 1 10 LYS HD2 2.637 . 5.500 3.622 2.623 3.874 . 0 0 "[ . 1 . 2]" 1
104 1 10 LYS HB3 1 10 LYS QG 2.638 . 3.508 2.184 2.150 2.370 . 0 0 "[ . 1 . 2]" 1
105 1 10 LYS HB3 1 87 GLY QA 2.818 . 3.811 2.578 2.107 2.867 . 0 0 "[ . 1 . 2]" 1
106 1 10 LYS HB3 1 88 ASP H 2.848 . 3.862 3.444 3.046 3.976 0.114 4 0 "[ . 1 . 2]" 1
107 1 10 LYS HD2 1 10 LYS QE 2.320 . 2.993 2.251 2.163 2.458 . 0 0 "[ . 1 . 2]" 1
108 1 10 LYS HD2 1 10 LYS QE 2.152 . 2.731 2.139 2.021 2.353 . 0 0 "[ . 1 . 2]" 1
109 1 10 LYS HD2 1 10 LYS QG 1.779 . 2.632 2.354 2.275 2.455 . 0 0 "[ . 1 . 2]" 1
110 1 10 LYS HD3 1 88 ASP H 3.499 . 5.029 3.403 3.193 3.555 . 0 0 "[ . 1 . 2]" 1
111 1 10 LYS QE 1 10 LYS QG 2.522 . 3.317 2.214 2.065 2.392 . 0 0 "[ . 1 . 2]" 1
112 1 10 LYS QE 1 11 THR MG 2.973 . 4.078 3.550 3.232 3.738 . 0 0 "[ . 1 . 2]" 1
113 1 10 LYS QG 1 11 THR H 2.876 . 3.910 2.949 2.247 3.342 . 0 0 "[ . 1 . 2]" 1
114 1 10 LYS QG 1 11 THR HA 2.733 . 5.500 4.604 3.470 4.994 . 0 0 "[ . 1 . 2]" 1
115 1 10 LYS QG 1 11 THR MG 2.112 . 5.500 3.901 2.888 4.375 . 0 0 "[ . 1 . 2]" 1
116 1 10 LYS QG 1 88 ASP H 3.315 . 5.500 4.413 3.881 4.706 . 0 0 "[ . 1 . 2]" 1
117 1 11 THR H 1 11 THR HA 2.806 . 3.790 2.932 2.909 2.948 . 0 0 "[ . 1 . 2]" 1
118 1 11 THR H 1 11 THR HB 2.694 . 3.602 2.432 2.331 2.497 . 0 0 "[ . 1 . 2]" 1
119 1 11 THR H 1 11 THR MG 2.318 . 2.990 2.110 1.888 2.321 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR H 1 12 LYS H 2.386 . 3.098 2.420 2.269 2.663 . 0 0 "[ . 1 . 2]" 1
121 1 11 THR H 1 12 LYS H 2.163 . 2.748 2.182 2.051 2.395 . 0 0 "[ . 1 . 2]" 1
122 1 11 THR H 1 12 LYS QB 3.358 . 4.768 4.303 3.992 4.567 . 0 0 "[ . 1 . 2]" 1
123 1 11 THR H 1 13 PHE H 1.666 . 5.500 4.599 4.269 5.049 . 0 0 "[ . 1 . 2]" 1
124 1 11 THR HA 1 11 THR HB 2.688 . 3.591 2.505 2.423 2.574 . 0 0 "[ . 1 . 2]" 1
125 1 11 THR HA 1 11 THR MG 2.255 . 5.500 3.205 3.191 3.216 . 0 0 "[ . 1 . 2]" 1
126 1 11 THR HA 1 12 LYS H 3.046 . 4.206 3.229 2.988 3.337 . 0 0 "[ . 1 . 2]" 1
127 1 11 THR HA 1 13 PHE H 3.566 . 5.156 3.815 3.346 4.268 . 0 0 "[ . 1 . 2]" 1
128 1 11 THR HB 1 11 THR HG1 2.083 . 2.625 2.590 2.109 2.802 0.177 8 0 "[ . 1 . 2]" 1
129 1 11 THR MG 1 12 LYS H 3.105 . 4.310 3.152 2.945 3.550 . 0 0 "[ . 1 . 2]" 1
130 1 11 THR MG 1 12 LYS QD 2.717 . 5.500 3.788 2.358 4.647 . 0 0 "[ . 1 . 2]" 1
131 1 11 THR MG 1 12 LYS HG2 2.633 . 3.500 3.377 2.775 4.279 0.779 7 3 "[ . + * . - 2]" 1
132 1 11 THR MG 1 13 PHE H 3.240 . 4.552 3.767 3.621 3.855 . 0 0 "[ . 1 . 2]" 1
133 1 12 LYS H 1 12 LYS HA 2.607 . 3.457 2.907 2.873 2.938 . 0 0 "[ . 1 . 2]" 1
134 1 12 LYS H 1 12 LYS QB 2.785 . 3.095 2.404 2.200 2.563 . 0 0 "[ . 1 . 2]" 1
135 1 12 LYS H 1 12 LYS HG2 2.762 . 3.716 3.457 2.381 4.517 0.801 10 1 "[ . + . 2]" 1
136 1 12 LYS H 1 13 PHE H 2.505 . 3.289 2.546 2.223 3.300 0.011 11 0 "[ . 1 . 2]" 1
137 1 12 LYS HA 1 13 PHE H 2.642 . 3.515 2.709 2.433 2.789 . 0 0 "[ . 1 . 2]" 1
138 1 12 LYS HA 1 34 SER H 3.462 . 4.961 4.051 3.440 4.766 . 0 0 "[ . 1 . 2]" 1
139 1 12 LYS QB 1 12 LYS HG2 2.060 . 2.591 2.350 2.198 2.495 . 0 0 "[ . 1 . 2]" 1
140 1 12 LYS QB 1 13 PHE H 3.084 . 4.273 3.214 2.577 3.858 . 0 0 "[ . 1 . 2]" 1
141 1 12 LYS QB 1 33 PHE QB 3.077 . 4.260 3.413 2.909 3.988 . 0 0 "[ . 1 . 2]" 1
142 1 12 LYS QB 1 34 SER H 2.665 . 3.553 2.890 2.489 3.442 . 0 0 "[ . 1 . 2]" 1
143 1 12 LYS QB 1 35 GLY H 3.217 . 4.510 3.772 3.130 4.182 . 0 0 "[ . 1 . 2]" 1
144 1 12 LYS QB 1 36 THR H 3.695 . 5.500 3.912 3.347 4.412 . 0 0 "[ . 1 . 2]" 1
145 1 12 LYS QD 1 12 LYS HE3 2.414 . 3.143 2.336 2.145 2.411 . 0 0 "[ . 1 . 2]" 1
146 1 12 LYS QD 1 12 LYS HG2 2.243 . 2.872 2.313 2.163 2.427 . 0 0 "[ . 1 . 2]" 1
147 1 12 LYS QD 1 35 GLY H 3.521 . 5.500 4.487 3.735 5.263 . 0 0 "[ . 1 . 2]" 1
148 1 12 LYS QD 1 36 THR H 3.509 . 5.048 3.735 1.946 4.832 0.024 1 0 "[ . 1 . 2]" 1
149 1 12 LYS HE3 1 33 PHE QB 2.719 . 5.500 4.450 3.882 6.479 0.979 10 1 "[ . + . 2]" 1
150 1 13 PHE H 1 13 PHE HA 2.877 . 3.911 2.907 2.863 2.929 . 0 0 "[ . 1 . 2]" 1
151 1 13 PHE H 1 13 PHE QB 2.475 . 3.241 2.914 2.335 3.186 . 0 0 "[ . 1 . 2]" 1
152 1 13 PHE H 1 13 PHE QD 3.146 . 4.383 2.903 2.197 4.240 . 0 0 "[ . 1 . 2]" 1
153 1 13 PHE H 1 14 THR H 3.218 . 5.500 4.472 4.363 4.548 . 0 0 "[ . 1 . 2]" 1
154 1 13 PHE H 1 14 THR H 3.078 . 4.262 3.908 3.758 3.969 . 0 0 "[ . 1 . 2]" 1
155 1 13 PHE H 1 89 LEU MD1 3.622 . 5.500 3.818 3.332 4.010 . 0 0 "[ . 1 . 2]" 1
156 1 13 PHE H 1 89 LEU MD2 3.344 . 4.742 5.019 4.777 5.303 0.561 19 1 "[ . 1 . +2]" 1
157 1 13 PHE HA 1 13 PHE QB 2.627 . 3.490 2.207 2.122 2.533 . 0 0 "[ . 1 . 2]" 1
158 1 13 PHE HA 1 14 THR H 2.247 . 2.878 2.289 2.175 2.430 . 0 0 "[ . 1 . 2]" 1
159 1 13 PHE HA 1 33 PHE HA 2.728 . 3.658 2.566 2.074 2.998 . 0 0 "[ . 1 . 2]" 1
160 1 13 PHE HA 1 34 SER H 3.382 . 5.500 4.520 3.758 4.883 . 0 0 "[ . 1 . 2]" 1
161 1 13 PHE QB 1 14 THR H 2.768 . 3.726 2.603 2.202 3.064 . 0 0 "[ . 1 . 2]" 1
162 1 13 PHE QB 1 33 PHE QB 2.387 . 5.500 4.632 3.763 5.271 . 0 0 "[ . 1 . 2]" 1
163 1 13 PHE QB 1 89 LEU MD1 3.100 . 4.160 2.813 1.801 3.391 0.097 19 0 "[ . 1 . 2]" 1
164 1 13 PHE QB 1 89 LEU MD2 2.800 . 3.780 2.502 1.944 2.676 . 0 0 "[ . 1 . 2]" 1
165 1 13 PHE QD 1 14 THR H 3.471 . 4.977 4.082 1.938 4.605 0.027 20 0 "[ . 1 . 2]" 1
166 1 13 PHE QD 1 15 TRP H 3.542 . 5.500 5.986 5.415 6.335 0.835 15 11 "[ *** **-* + ***2]" 1
167 1 14 THR H 1 14 THR HA 2.746 . 3.688 2.914 2.838 2.936 . 0 0 "[ . 1 . 2]" 1
168 1 14 THR H 1 14 THR HB 3.343 . 4.740 3.383 3.159 3.789 . 0 0 "[ . 1 . 2]" 1
169 1 14 THR H 1 14 THR MG 2.757 . 3.707 2.417 2.123 3.283 . 0 0 "[ . 1 . 2]" 1
170 1 14 THR H 1 31 VAL HA 3.208 . 4.494 4.038 3.616 4.504 0.010 2 0 "[ . 1 . 2]" 1
171 1 14 THR H 1 31 VAL HB 3.094 . 4.291 3.480 2.988 4.153 . 0 0 "[ . 1 . 2]" 1
172 1 14 THR H 1 31 VAL MG1 3.523 . 5.075 3.760 3.238 4.534 . 0 0 "[ . 1 . 2]" 1
173 1 14 THR H 1 32 GLY H 2.653 . 3.533 2.368 2.125 2.910 . 0 0 "[ . 1 . 2]" 1
174 1 14 THR H 1 32 GLY HA3 3.752 . 5.511 3.791 3.427 4.176 . 0 0 "[ . 1 . 2]" 1
175 1 14 THR H 1 33 PHE HA 3.303 . 4.667 4.163 3.770 4.574 . 0 0 "[ . 1 . 2]" 1
176 1 14 THR H 1 89 LEU MD1 3.135 . 4.364 3.665 3.044 3.912 . 0 0 "[ . 1 . 2]" 1
177 1 14 THR H 1 89 LEU MD2 3.027 . 4.172 3.579 2.799 3.836 . 0 0 "[ . 1 . 2]" 1
178 1 14 THR HA 1 14 THR HB 2.336 . 3.018 2.461 2.395 2.601 . 0 0 "[ . 1 . 2]" 1
179 1 14 THR HA 1 14 THR MG 2.183 . 5.500 2.981 2.239 3.171 . 0 0 "[ . 1 . 2]" 1
180 1 14 THR HA 1 15 TRP H 2.186 . 2.783 2.258 2.088 2.426 . 0 0 "[ . 1 . 2]" 1
181 1 14 THR HA 1 16 LYS H 3.693 . 5.397 5.243 5.057 5.479 0.082 19 0 "[ . 1 . 2]" 1
182 1 14 THR HA 1 89 LEU MD1 2.404 . 5.500 2.055 1.833 2.455 . 0 0 "[ . 1 . 2]" 1
183 1 14 THR HA 1 89 LEU MD2 3.053 . 3.205 3.009 2.413 3.572 0.367 8 0 "[ . 1 . 2]" 1
184 1 14 THR HB 1 14 THR HG1 2.039 . 2.559 2.453 2.112 2.853 0.294 19 0 "[ . 1 . 2]" 1
185 1 14 THR HB 1 14 THR MG 2.102 . 2.654 2.130 2.113 2.136 . 0 0 "[ . 1 . 2]" 1
186 1 14 THR HB 1 15 TRP H 2.356 . 5.500 3.818 2.953 4.121 . 0 0 "[ . 1 . 2]" 1
187 1 14 THR MG 1 32 GLY H 3.641 . 5.298 3.045 2.513 4.685 . 0 0 "[ . 1 . 2]" 1
188 1 15 TRP H 1 15 TRP HA 2.927 . 3.998 2.796 2.744 2.848 . 0 0 "[ . 1 . 2]" 1
189 1 15 TRP H 1 15 TRP HB2 2.509 . 3.296 2.526 2.286 2.681 . 0 0 "[ . 1 . 2]" 1
190 1 15 TRP H 1 15 TRP HB3 2.722 . 3.648 3.599 3.559 3.624 . 0 0 "[ . 1 . 2]" 1
191 1 15 TRP H 1 16 LYS H 3.566 . 4.533 4.276 4.167 4.423 . 0 0 "[ . 1 . 2]" 1
192 1 15 TRP H 1 16 LYS HA 3.389 . 5.500 5.476 5.377 5.558 0.058 19 0 "[ . 1 . 2]" 1
193 1 15 TRP H 1 89 LEU MD1 2.759 . 5.500 2.953 2.319 3.486 . 0 0 "[ . 1 . 2]" 1
194 1 15 TRP H 1 89 LEU MD2 2.845 . 5.500 2.762 2.489 3.057 . 0 0 "[ . 1 . 2]" 1
195 1 15 TRP H 1 89 LEU HG 2.656 . 3.538 3.783 3.399 4.016 0.478 2 0 "[ . 1 . 2]" 1
196 1 15 TRP HA 1 15 TRP HB2 2.740 . 3.678 3.022 2.990 3.031 . 0 0 "[ . 1 . 2]" 1
197 1 15 TRP HA 1 15 TRP HB3 2.614 . 3.468 2.488 2.415 2.625 . 0 0 "[ . 1 . 2]" 1
198 1 15 TRP HA 1 16 LYS H 2.422 . 3.155 2.145 2.076 2.229 . 0 0 "[ . 1 . 2]" 1
199 1 15 TRP HA 1 16 LYS QG 2.249 . 5.500 5.759 5.688 5.852 0.352 11 0 "[ . 1 . 2]" 1
200 1 15 TRP HA 1 17 ARG H 2.960 . 4.055 3.497 3.189 4.057 0.002 10 0 "[ . 1 . 2]" 1
201 1 15 TRP HA 1 31 VAL MG2 2.838 . 5.500 5.498 5.118 6.049 0.549 19 1 "[ . 1 . +2]" 1
202 1 15 TRP HA 1 32 GLY H 3.340 . 4.734 4.501 3.935 4.787 0.053 10 0 "[ . 1 . 2]" 1
203 1 15 TRP HB3 1 16 LYS H 3.264 . 4.596 3.778 3.485 3.937 . 0 0 "[ . 1 . 2]" 1
204 1 15 TRP HB3 1 18 ALA H 3.664 . 5.342 4.274 3.506 5.295 . 0 0 "[ . 1 . 2]" 1
205 1 15 TRP HB3 1 91 HIS QB 2.745 . 5.500 4.853 4.458 5.189 . 0 0 "[ . 1 . 2]" 1
206 1 15 TRP HE1 1 89 LEU QB 3.204 . 4.487 3.754 3.335 4.238 . 0 0 "[ . 1 . 2]" 1
207 1 15 TRP HE1 1 89 LEU MD1 2.699 . 5.500 4.320 3.718 4.810 . 0 0 "[ . 1 . 2]" 1
208 1 15 TRP HE1 1 89 LEU MD2 2.857 . 5.500 3.652 3.179 4.015 . 0 0 "[ . 1 . 2]" 1
209 1 15 TRP HE1 1 89 LEU HG 2.812 . 3.801 2.864 2.182 3.325 . 0 0 "[ . 1 . 2]" 1
210 1 15 TRP HE1 1 91 HIS QB 3.011 . 4.145 2.683 2.192 3.890 . 0 0 "[ . 1 . 2]" 1
211 1 16 LYS H 1 16 LYS QB 2.589 . 3.427 2.328 2.263 2.477 . 0 0 "[ . 1 . 2]" 1
212 1 16 LYS H 1 31 VAL HA 2.567 . 3.391 2.339 2.039 2.783 . 0 0 "[ . 1 . 2]" 1
213 1 16 LYS H 1 31 VAL MG1 2.990 . 4.107 2.990 2.702 3.206 . 0 0 "[ . 1 . 2]" 1
214 1 16 LYS H 1 32 GLY H 3.031 . 4.179 3.567 3.139 4.161 . 0 0 "[ . 1 . 2]" 1
215 1 16 LYS H 1 32 GLY H 2.899 . 3.950 3.422 3.080 3.818 . 0 0 "[ . 1 . 2]" 1
216 1 16 LYS HA 1 16 LYS QB 2.286 . 5.500 2.395 2.365 2.458 . 0 0 "[ . 1 . 2]" 1
217 1 16 LYS HA 1 16 LYS QG 2.363 . 3.061 2.495 2.297 2.920 . 0 0 "[ . 1 . 2]" 1
218 1 16 LYS HA 1 17 ARG H 2.581 . 3.414 2.756 2.711 2.803 . 0 0 "[ . 1 . 2]" 1
219 1 16 LYS HA 1 17 ARG HA 1.732 . 5.500 4.587 4.536 4.647 . 0 0 "[ . 1 . 2]" 1
220 1 16 LYS QB 1 30 GLU QG 2.500 . 3.281 2.614 2.033 3.624 0.343 17 0 "[ . 1 . 2]" 1
221 1 16 LYS QB 1 32 GLY HA2 2.588 . 3.425 3.642 3.154 3.961 0.536 7 3 "[ . + 1- . *2]" 1
222 1 16 LYS QB 1 32 GLY HA3 2.409 . 3.135 3.235 2.874 3.516 0.381 10 0 "[ . 1 . 2]" 1
223 1 16 LYS QB 1 16 LYS QG . . 2.240 2.049 1.984 2.075 . 0 0 "[ . 1 . 2]" 1
224 1 16 LYS QB 1 17 ARG H 2.592 . 3.409 2.500 2.220 2.771 . 0 0 "[ . 1 . 2]" 1
225 1 16 LYS QB 1 17 ARG QB 2.671 . 3.563 3.524 3.171 3.656 0.093 14 0 "[ . 1 . 2]" 1
226 1 16 LYS QB 1 30 GLU HA 2.114 . 5.500 3.769 3.554 3.997 . 0 0 "[ . 1 . 2]" 1
227 1 16 LYS QB 1 31 VAL MG1 2.417 . 5.500 3.579 3.236 3.913 . 0 0 "[ . 1 . 2]" 1
228 1 16 LYS QB 1 30 GLU HB3 3.249 . 4.568 2.275 1.856 2.736 0.074 17 0 "[ . 1 . 2]" 1
229 1 16 LYS QB 1 30 GLU QG 2.864 . 3.889 2.781 2.053 3.762 . 0 0 "[ . 1 . 2]" 1
230 1 16 LYS QB 1 31 VAL HA . . 2.693 2.654 2.246 2.924 0.231 5 0 "[ . 1 . 2]" 1
231 1 16 LYS QB 1 31 VAL MG2 2.226 . 5.500 3.858 3.285 4.223 . 0 0 "[ . 1 . 2]" 1
232 1 16 LYS QB 1 32 GLY H 3.044 . 5.500 3.048 2.781 3.345 . 0 0 "[ . 1 . 2]" 1
233 1 16 LYS HD2 1 16 LYS HE2 2.327 . 3.004 2.731 2.409 3.016 0.012 18 0 "[ . 1 . 2]" 1
234 1 16 LYS HE2 1 16 LYS QG 2.578 . 3.409 2.550 2.289 3.328 . 0 0 "[ . 1 . 2]" 1
235 1 16 LYS QG 1 17 ARG HA 2.686 . 5.500 4.607 4.369 4.893 . 0 0 "[ . 1 . 2]" 1
236 1 16 LYS QG 1 30 GLU HB3 3.008 . 4.139 2.973 2.333 3.692 . 0 0 "[ . 1 . 2]" 1
237 1 17 ARG H 1 17 ARG QB 2.837 . 3.843 2.773 2.643 2.871 . 0 0 "[ . 1 . 2]" 1
238 1 17 ARG H 1 18 ALA H 2.980 . 4.090 3.944 3.710 4.122 0.032 8 0 "[ . 1 . 2]" 1
239 1 17 ARG H 1 30 GLU H 2.561 . 3.381 3.118 2.886 3.325 . 0 0 "[ . 1 . 2]" 1
240 1 17 ARG H 1 30 GLU HB2 2.909 . 3.967 3.846 3.048 4.090 0.123 18 0 "[ . 1 . 2]" 1
241 1 17 ARG H 1 30 GLU HB3 2.785 . 3.754 2.738 2.362 3.370 . 0 0 "[ . 1 . 2]" 1
242 1 17 ARG H 1 30 GLU QG 3.132 . 5.500 4.332 3.665 5.113 . 0 0 "[ . 1 . 2]" 1
243 1 17 ARG H 1 31 VAL HA 3.158 . 4.404 3.680 3.507 3.835 . 0 0 "[ . 1 . 2]" 1
244 1 17 ARG HA 1 17 ARG QB 2.345 . 3.032 2.386 2.298 2.542 . 0 0 "[ . 1 . 2]" 1
245 1 17 ARG HA 1 17 ARG HG2 2.337 . 3.020 3.033 2.477 3.386 0.366 14 0 "[ . 1 . 2]" 1
246 1 17 ARG HA 1 18 ALA H 1.911 . 2.368 1.927 1.892 1.956 . 0 0 "[ . 1 . 2]" 1
247 1 17 ARG QB 1 17 ARG HD2 2.718 . 3.642 2.356 2.226 2.533 . 0 0 "[ . 1 . 2]" 1
248 1 17 ARG QB 1 17 ARG HD3 2.765 . 3.720 2.880 2.373 3.307 . 0 0 "[ . 1 . 2]" 1
249 1 17 ARG QB 1 18 ALA H 2.643 . 3.516 3.160 2.915 3.545 0.029 12 0 "[ . 1 . 2]" 1
250 1 17 ARG QB 1 30 GLU HB2 2.781 . 3.747 1.903 1.335 2.364 0.480 17 0 "[ . 1 . 2]" 1
251 1 17 ARG QB 1 18 ALA H 2.911 . 5.500 3.823 3.616 3.994 . 0 0 "[ . 1 . 2]" 1
252 1 17 ARG QB 1 18 ALA H 2.935 . 4.012 3.276 3.212 3.324 . 0 0 "[ . 1 . 2]" 1
253 1 17 ARG QB 1 30 GLU H 2.757 . 3.578 2.601 2.192 3.172 . 0 0 "[ . 1 . 2]" 1
254 1 17 ARG QB 1 30 GLU HB3 2.827 . 3.826 2.057 1.538 2.830 0.290 14 0 "[ . 1 . 2]" 1
255 1 17 ARG QB 1 30 GLU QG 2.813 . 5.500 3.475 3.111 3.706 . 0 0 "[ . 1 . 2]" 1
256 1 17 ARG HD2 1 17 ARG HG2 2.223 . 2.841 2.723 2.341 3.016 0.175 3 0 "[ . 1 . 2]" 1
257 1 17 ARG HD2 1 20 THR MG 3.162 . 5.500 4.178 3.399 4.920 . 0 0 "[ . 1 . 2]" 1
258 1 17 ARG HG2 1 30 GLU QB 2.381 . 5.500 3.750 3.305 3.987 . 0 0 "[ . 1 . 2]" 1
259 1 18 ALA H 1 18 ALA HA 2.634 . 3.501 2.835 2.789 2.869 . 0 0 "[ . 1 . 2]" 1
260 1 18 ALA HA 1 19 PRO HD2 2.281 . 2.931 2.350 2.198 2.552 . 0 0 "[ . 1 . 2]" 1
261 1 18 ALA HA 1 19 PRO HD3 2.310 . 2.977 2.687 2.405 2.824 . 0 0 "[ . 1 . 2]" 1
262 1 18 ALA HA 1 19 PRO HG2 2.281 . 5.500 4.519 4.365 4.698 . 0 0 "[ . 1 . 2]" 1
263 1 18 ALA HA 1 19 PRO HG3 3.301 . 4.663 4.703 4.553 4.777 0.114 9 0 "[ . 1 . 2]" 1
264 1 19 PRO HA 1 19 PRO HB3 2.820 . 3.814 2.272 2.251 2.318 . 0 0 "[ . 1 . 2]" 1
265 1 19 PRO HA 1 20 THR H 2.023 . 2.534 1.922 1.888 1.951 . 0 0 "[ . 1 . 2]" 1
266 1 19 PRO HA 1 20 THR MG 2.077 . 5.500 5.356 5.301 5.399 . 0 0 "[ . 1 . 2]" 1
267 1 19 PRO HA 1 27 VAL QG 2.771 . 3.731 2.994 2.788 3.438 . 0 0 "[ . 1 . 2]" 1
268 1 19 PRO HA 1 29 MET HB2 2.561 . 3.381 3.175 2.734 3.491 0.110 2 0 "[ . 1 . 2]" 1
269 1 19 PRO HA 1 29 MET HB3 3.119 . 4.052 2.521 2.166 3.378 . 0 0 "[ . 1 . 2]" 1
270 1 19 PRO HA 1 30 GLU H 3.446 . 4.931 5.000 4.910 5.069 0.138 5 0 "[ . 1 . 2]" 1
271 1 19 PRO HB2 1 21 ASP H 3.566 . 5.500 5.441 5.163 5.583 0.083 5 0 "[ . 1 . 2]" 1
272 1 19 PRO HB3 1 19 PRO HD3 2.725 . 3.653 3.385 3.116 3.918 0.265 13 0 "[ . 1 . 2]" 1
273 1 19 PRO HB3 1 19 PRO HG3 2.371 . 3.074 2.284 2.261 2.311 . 0 0 "[ . 1 . 2]" 1
274 1 19 PRO HB3 1 20 THR H 2.914 . 3.975 3.162 3.028 3.357 . 0 0 "[ . 1 . 2]" 1
275 1 19 PRO HB3 1 84 ILE HG13 2.374 . 3.078 2.801 2.493 3.568 0.490 19 0 "[ . 1 . 2]" 1
276 1 19 PRO HD2 1 83 ILE HA 2.937 . 5.500 5.073 4.534 5.574 0.074 12 0 "[ . 1 . 2]" 1
277 1 19 PRO HD2 1 84 ILE HG13 2.683 . 5.500 4.798 4.533 5.207 . 0 0 "[ . 1 . 2]" 1
278 1 19 PRO HD3 1 29 MET HB3 3.101 . 4.303 3.246 2.851 4.212 . 0 0 "[ . 1 . 2]" 1
279 1 19 PRO HD3 1 29 MET QG 3.045 . 4.204 4.298 4.124 4.594 0.390 5 0 "[ . 1 . 2]" 1
280 1 19 PRO HD3 1 84 ILE MD 3.347 . 4.747 2.371 1.941 2.804 0.006 14 0 "[ . 1 . 2]" 1
281 1 19 PRO HD3 1 84 ILE HG13 2.528 . 5.500 3.848 3.439 4.590 . 0 0 "[ . 1 . 2]" 1
282 1 19 PRO HG2 1 83 ILE HG12 2.460 . 5.500 4.411 3.631 4.811 . 0 0 "[ . 1 . 2]" 1
283 1 19 PRO HG2 1 84 ILE HG13 2.736 . 3.671 3.674 3.125 3.848 0.177 12 0 "[ . 1 . 2]" 1
284 1 19 PRO HG2 1 92 GLN HA 2.219 . 5.500 3.952 3.553 4.322 . 0 0 "[ . 1 . 2]" 1
285 1 19 PRO HG3 1 83 ILE H 3.282 . 5.500 3.625 3.440 3.843 . 0 0 "[ . 1 . 2]" 1
286 1 19 PRO HG3 1 92 GLN HA 2.360 . 3.056 2.463 2.286 2.556 . 0 0 "[ . 1 . 2]" 1
287 1 19 PRO HG3 1 83 ILE HB 2.584 . 5.500 5.162 4.758 6.096 0.596 13 1 "[ . 1 + . 2]" 1
288 1 19 PRO HG3 1 83 ILE MD 2.145 . 5.500 5.185 5.024 5.630 0.130 13 0 "[ . 1 . 2]" 1
289 1 19 PRO HG3 1 83 ILE MG 2.593 . 5.500 5.700 5.439 6.426 0.926 13 5 "[ * * 1 + .- *2]" 1
290 1 19 PRO HG3 1 84 ILE H 3.588 . 5.197 2.307 2.033 3.013 . 0 0 "[ . 1 . 2]" 1
291 1 19 PRO HG3 1 84 ILE HG13 2.240 . 2.867 2.207 2.079 2.471 . 0 0 "[ . 1 . 2]" 1
292 1 20 THR H 1 20 THR HA 2.783 . 3.751 2.936 2.923 2.944 . 0 0 "[ . 1 . 2]" 1
293 1 20 THR H 1 20 THR HB 2.773 . 3.734 2.571 2.414 2.672 . 0 0 "[ . 1 . 2]" 1
294 1 20 THR H 1 20 THR HG1 2.539 . 5.500 3.171 2.920 3.404 . 0 0 "[ . 1 . 2]" 1
295 1 20 THR H 1 21 ASP H 2.679 . 3.576 3.953 3.917 3.993 0.417 7 0 "[ . 1 . 2]" 1
296 1 20 THR H 1 21 ASP HA 3.372 . 5.500 5.009 4.873 5.174 . 0 0 "[ . 1 . 2]" 1
297 1 20 THR H 1 29 MET HA 2.960 . 4.055 3.330 2.964 3.526 . 0 0 "[ . 1 . 2]" 1
298 1 20 THR HA 1 20 THR HB 2.526 . 3.323 3.017 3.005 3.022 . 0 0 "[ . 1 . 2]" 1
299 1 20 THR HA 1 20 THR HG1 2.333 . 3.013 2.830 2.705 2.969 . 0 0 "[ . 1 . 2]" 1
300 1 20 THR HA 1 21 ASP H 2.194 . 2.796 2.212 2.159 2.260 . 0 0 "[ . 1 . 2]" 1
301 1 20 THR HA 1 27 VAL QG 2.619 . 5.500 3.246 2.975 3.606 . 0 0 "[ . 1 . 2]" 1
302 1 20 THR HA 1 93 TRP HB2 2.861 . 5.500 4.806 4.177 5.560 0.060 5 0 "[ . 1 . 2]" 1
303 1 20 THR HB 1 20 THR MG 2.050 . 2.576 2.123 2.118 2.128 . 0 0 "[ . 1 . 2]" 1
304 1 20 THR HB 1 21 ASP H 2.672 . 5.500 4.216 4.104 4.318 . 0 0 "[ . 1 . 2]" 1
305 1 20 THR HB 1 28 VAL QG 2.633 . 3.500 2.786 2.527 3.082 . 0 0 "[ . 1 . 2]" 1
306 1 20 THR MG 1 21 ASP H 2.462 . 5.500 2.558 2.347 2.844 . 0 0 "[ . 1 . 2]" 1
307 1 20 THR MG 1 21 ASP HB2 3.080 . 4.266 4.191 3.285 4.502 0.236 19 0 "[ . 1 . 2]" 1
308 1 20 THR MG 1 22 SER H 3.655 . 5.325 4.668 4.464 4.826 . 0 0 "[ . 1 . 2]" 1
309 1 20 THR MG 1 27 VAL HA 1.950 . 5.500 4.919 4.796 5.050 . 0 0 "[ . 1 . 2]" 1
310 1 20 THR MG 1 28 VAL QG 2.086 . 2.836 2.868 2.760 2.970 0.134 7 0 "[ . 1 . 2]" 1
311 1 21 ASP H 1 21 ASP HA 2.534 . 3.337 2.736 2.692 2.781 . 0 0 "[ . 1 . 2]" 1
312 1 21 ASP H 1 21 ASP HB2 2.046 . 2.569 2.536 2.136 2.797 0.228 6 0 "[ . 1 . 2]" 1
313 1 21 ASP H 1 22 SER H 3.375 . 4.643 4.549 4.512 4.607 . 0 0 "[ . 1 . 2]" 1
314 1 21 ASP H 1 27 VAL QG 3.769 . 5.477 3.136 2.921 3.250 . 0 0 "[ . 1 . 2]" 1
315 1 21 ASP HA 1 22 SER H 2.059 . 2.589 1.937 1.877 1.965 . 0 0 "[ . 1 . 2]" 1
316 1 21 ASP HB2 1 22 SER H 2.899 . 5.500 4.126 3.917 4.389 . 0 0 "[ . 1 . 2]" 1
317 1 21 ASP HB2 1 23 GLY H 3.231 . 4.536 4.424 4.061 4.820 0.284 12 0 "[ . 1 . 2]" 1
318 1 21 ASP HB2 1 27 VAL QG 2.668 . 5.500 3.854 3.507 4.311 . 0 0 "[ . 1 . 2]" 1
319 1 22 SER H 1 22 SER HA 2.656 . 3.538 2.835 2.775 2.863 . 0 0 "[ . 1 . 2]" 1
320 1 22 SER H 1 22 SER HB2 2.592 . 5.500 3.581 3.549 3.597 . 0 0 "[ . 1 . 2]" 1
321 1 22 SER H 1 26 THR H 2.702 . 3.615 3.443 3.021 3.895 0.280 11 0 "[ . 1 . 2]" 1
322 1 22 SER H 1 24 HIS H 3.282 . 4.629 3.705 3.463 4.019 . 0 0 "[ . 1 . 2]" 1
323 1 22 SER H 1 26 THR H 2.937 . 4.015 3.693 3.187 4.073 0.058 11 0 "[ . 1 . 2]" 1
324 1 22 SER H 1 27 VAL HA 2.961 . 4.057 2.318 2.018 2.586 . 0 0 "[ . 1 . 2]" 1
325 1 22 SER H 1 27 VAL QG 3.613 . 5.245 3.436 3.167 3.618 . 0 0 "[ . 1 . 2]" 1
326 1 22 SER H 1 28 VAL H 3.227 . 4.529 3.716 3.509 3.965 . 0 0 "[ . 1 . 2]" 1
327 1 22 SER H 1 28 VAL QG 3.062 . 4.019 3.301 3.177 3.386 . 0 0 "[ . 1 . 2]" 1
328 1 22 SER HA 1 22 SER HB2 2.474 . 3.239 2.457 2.425 2.492 . 0 0 "[ . 1 . 2]" 1
329 1 22 SER HA 1 22 SER QB 2.169 . 2.757 2.200 2.196 2.207 . 0 0 "[ . 1 . 2]" 1
330 1 22 SER HA 1 23 GLY H 3.034 . 4.184 3.433 3.364 3.508 . 0 0 "[ . 1 . 2]" 1
331 1 22 SER HA 1 24 HIS H 3.865 . 5.732 4.311 4.005 4.695 . 0 0 "[ . 1 . 2]" 1
332 1 22 SER HA 1 28 VAL QG 2.279 . 2.928 1.944 1.717 2.143 0.136 11 0 "[ . 1 . 2]" 1
333 1 22 SER QB 1 59 ILE HG12 2.805 . 5.500 5.380 5.310 5.470 . 0 0 "[ . 1 . 2]" 1
334 1 22 SER HB2 1 23 GLY H 3.382 . 4.812 4.043 3.810 4.225 . 0 0 "[ . 1 . 2]" 1
335 1 22 SER HB2 1 26 THR H 2.989 . 5.500 4.468 3.991 4.778 . 0 0 "[ . 1 . 2]" 1
336 1 22 SER HB2 1 28 VAL QG 2.832 . 3.042 2.457 2.232 2.656 . 0 0 "[ . 1 . 2]" 1
337 1 22 SER HB3 1 24 HIS H 3.161 . 4.410 4.072 3.831 4.316 . 0 0 "[ . 1 . 2]" 1
338 1 22 SER HB3 1 28 VAL QG 2.938 . 4.017 1.910 1.679 2.105 0.180 8 0 "[ . 1 . 2]" 1
339 1 22 SER HB3 1 59 ILE HG12 2.766 . 5.500 5.662 5.612 5.731 0.231 17 0 "[ . 1 . 2]" 1
340 1 23 GLY H 1 23 GLY HA2 2.450 . 3.200 2.389 2.329 2.538 . 0 0 "[ . 1 . 2]" 1
341 1 23 GLY H 1 23 GLY HA3 2.349 . 3.039 2.933 2.901 2.956 . 0 0 "[ . 1 . 2]" 1
342 1 23 GLY H 1 24 HIS H 2.313 . 2.981 2.337 2.006 2.471 . 0 0 "[ . 1 . 2]" 1
343 1 23 GLY H 1 25 ASP H 2.930 . 4.003 3.717 3.381 4.121 0.118 9 0 "[ . 1 . 2]" 1
344 1 23 GLY H 1 26 THR H 3.440 . 4.920 4.150 3.568 4.959 0.039 11 0 "[ . 1 . 2]" 1
345 1 23 GLY HA2 1 24 HIS H 2.676 . 3.571 3.317 3.242 3.419 . 0 0 "[ . 1 . 2]" 1
346 1 23 GLY HA3 1 24 HIS H 2.982 . 4.093 3.195 3.092 3.269 . 0 0 "[ . 1 . 2]" 1
347 1 24 HIS H 1 24 HIS HA 2.671 . 3.563 2.942 2.924 2.953 . 0 0 "[ . 1 . 2]" 1
348 1 24 HIS H 1 24 HIS HB2 2.943 . 4.026 2.794 2.468 3.789 . 0 0 "[ . 1 . 2]" 1
349 1 24 HIS H 1 24 HIS HB3 3.086 . 4.277 3.221 2.397 3.777 . 0 0 "[ . 1 . 2]" 1
350 1 24 HIS H 1 25 ASP H 2.334 . 3.015 2.485 2.096 3.030 0.015 3 0 "[ . 1 . 2]" 1
351 1 24 HIS H 1 26 THR H 2.698 . 3.608 3.140 2.687 3.661 0.053 11 0 "[ . 1 . 2]" 1
352 1 24 HIS HA 1 24 HIS HB2 2.342 . 3.028 2.764 2.397 3.033 0.005 13 0 "[ . 1 . 2]" 1
353 1 24 HIS HA 1 24 HIS HB3 2.277 . 2.925 2.738 2.301 3.032 0.107 3 0 "[ . 1 . 2]" 1
354 1 24 HIS HA 1 25 ASP H 2.552 . 5.500 3.235 2.558 3.565 . 0 0 "[ . 1 . 2]" 1
355 1 24 HIS HB2 1 25 ASP H 3.595 . 5.211 3.590 1.911 4.631 0.068 14 0 "[ . 1 . 2]" 1
356 1 24 HIS HB3 1 25 ASP H 3.498 . 5.027 3.379 1.907 4.459 0.062 12 0 "[ . 1 . 2]" 1
357 1 25 ASP H 1 25 ASP HB2 2.952 . 4.041 3.617 2.917 4.108 0.067 7 0 "[ . 1 . 2]" 1
358 1 25 ASP H 1 25 ASP HB3 2.884 . 3.923 3.577 2.989 4.144 0.221 2 0 "[ . 1 . 2]" 1
359 1 25 ASP H 1 26 THR H 2.409 . 3.134 2.072 1.587 2.976 0.097 10 0 "[ . 1 . 2]" 1
360 1 25 ASP HA 1 25 ASP HB2 2.304 . 2.968 2.622 2.369 3.033 0.065 9 0 "[ . 1 . 2]" 1
361 1 25 ASP HA 1 25 ASP HB3 2.531 . 3.332 2.749 2.416 3.035 . 0 0 "[ . 1 . 2]" 1
362 1 25 ASP HA 1 26 THR H 2.430 . 3.168 3.198 2.947 3.407 0.239 7 0 "[ . 1 . 2]" 1
363 1 25 ASP HB2 1 26 THR H 3.249 . 4.569 4.060 3.191 4.519 . 0 0 "[ . 1 . 2]" 1
364 1 25 ASP HB3 1 26 THR H 3.557 . 5.138 3.807 2.853 4.593 . 0 0 "[ . 1 . 2]" 1
365 1 26 THR H 1 26 THR HA 2.802 . 3.783 2.919 2.894 2.940 . 0 0 "[ . 1 . 2]" 1
366 1 26 THR H 1 26 THR HB 3.332 . 4.720 3.662 3.517 3.832 . 0 0 "[ . 1 . 2]" 1
367 1 26 THR H 1 26 THR HG1 2.651 . 3.530 3.326 2.529 3.612 0.082 14 0 "[ . 1 . 2]" 1
368 1 26 THR H 1 27 VAL H 3.400 . 4.845 4.365 4.283 4.427 . 0 0 "[ . 1 . 2]" 1
369 1 26 THR HA 1 27 VAL H 2.464 . 3.223 2.759 2.687 2.817 . 0 0 "[ . 1 . 2]" 1
370 1 26 THR HA 1 75 MET H 3.743 . 5.494 5.703 5.456 5.983 0.489 11 0 "[ . 1 . 2]" 1
371 1 26 THR HB 1 26 THR HG1 2.293 . 2.950 2.321 2.115 2.630 . 0 0 "[ . 1 . 2]" 1
372 1 26 THR HB 1 26 THR MG 2.440 . 3.184 2.132 2.127 2.140 . 0 0 "[ . 1 . 2]" 1
373 1 26 THR HB 1 27 VAL H 2.330 . 3.008 1.856 1.742 1.934 . 0 0 "[ . 1 . 2]" 1
374 1 26 THR HB 1 28 VAL QG 3.246 . 5.500 4.309 4.185 4.432 . 0 0 "[ . 1 . 2]" 1
375 1 26 THR HB 1 74 GLU HB3 2.576 . 5.500 3.876 3.412 4.205 . 0 0 "[ . 1 . 2]" 1
376 1 26 THR HB 1 75 MET H 3.194 . 4.469 3.852 3.512 4.156 . 0 0 "[ . 1 . 2]" 1
377 1 26 THR HG1 1 59 ILE MD 2.226 . 5.500 3.952 3.575 4.590 . 0 0 "[ . 1 . 2]" 1
378 1 26 THR HG1 1 59 ILE HG12 2.277 . 5.500 4.213 3.590 5.004 . 0 0 "[ . 1 . 2]" 1
379 1 26 THR HG1 1 75 MET H 3.022 . 5.500 5.351 4.577 5.583 0.083 4 0 "[ . 1 . 2]" 1
380 1 26 THR MG 1 27 VAL H 2.412 . 3.139 2.818 2.683 2.924 . 0 0 "[ . 1 . 2]" 1
381 1 26 THR MG 1 75 MET HA 2.463 . 5.500 4.646 4.492 4.789 . 0 0 "[ . 1 . 2]" 1
382 1 26 THR MG 1 76 GLN HA 2.135 . 5.500 3.799 3.364 3.942 . 0 0 "[ . 1 . 2]" 1
383 1 26 THR MG 1 59 ILE HA 2.737 . 5.500 4.436 4.281 4.574 . 0 0 "[ . 1 . 2]" 1
384 1 26 THR MG 1 59 ILE MD 2.297 . 2.957 2.024 1.969 2.099 . 0 0 "[ . 1 . 2]" 1
385 1 26 THR MG 1 59 ILE HG12 2.568 . 5.500 3.445 3.286 3.623 . 0 0 "[ . 1 . 2]" 1
386 1 26 THR MG 1 59 ILE MG 2.434 . 5.500 2.383 2.165 2.726 . 0 0 "[ . 1 . 2]" 1
387 1 26 THR MG 1 74 GLU QB 2.736 . 5.500 4.306 3.921 4.626 . 0 0 "[ . 1 . 2]" 1
388 1 26 THR MG 1 76 GLN HE21 3.293 . 5.500 5.188 4.925 5.269 . 0 0 "[ . 1 . 2]" 1
389 1 26 THR MG 1 76 GLN QG 2.402 . 3.123 2.482 2.179 3.073 . 0 0 "[ . 1 . 2]" 1
390 1 27 VAL H 1 27 VAL HA 2.848 . 3.862 2.945 2.939 2.953 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL H 1 27 VAL QG 2.571 . 3.397 2.317 2.118 2.616 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL H 1 28 VAL H 3.394 . 4.834 4.429 4.389 4.506 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL H 1 74 GLU HA 3.657 . 5.329 4.536 4.132 4.884 . 0 0 "[ . 1 . 2]" 1
394 1 27 VAL H 1 75 MET H 2.666 . 3.555 3.086 2.854 3.376 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL H 1 76 GLN HA 3.056 . 4.223 4.116 3.911 4.330 0.107 13 0 "[ . 1 . 2]" 1
396 1 27 VAL HA 1 27 VAL QG 2.517 . 3.172 2.065 2.030 2.106 . 0 0 "[ . 1 . 2]" 1
397 1 27 VAL HA 1 28 VAL H 2.128 . 2.694 2.243 2.178 2.294 . 0 0 "[ . 1 . 2]" 1
398 1 27 VAL HA 1 28 VAL QG 2.866 . 3.893 3.138 3.101 3.166 . 0 0 "[ . 1 . 2]" 1
399 1 27 VAL HB 1 75 MET HG2 2.860 . 5.500 3.039 1.608 4.484 0.229 16 0 "[ . 1 . 2]" 1
400 1 27 VAL MG1 1 27 VAL MG2 2.051 . 2.577 2.030 1.996 2.055 . 0 0 "[ . 1 . 2]" 1
401 1 27 VAL QG 1 28 VAL H 2.479 . 3.247 2.138 1.987 2.271 . 0 0 "[ . 1 . 2]" 1
402 1 27 VAL QG 1 28 VAL QG 2.888 . 3.930 3.297 3.189 3.370 . 0 0 "[ . 1 . 2]" 1
403 1 27 VAL QG 1 29 MET H 3.768 . 5.500 4.892 4.558 5.086 . 0 0 "[ . 1 . 2]" 1
404 1 27 VAL QG 1 59 ILE HB 2.242 . 5.500 4.695 4.530 5.217 . 0 0 "[ . 1 . 2]" 1
405 1 27 VAL QG 1 59 ILE HG13 3.202 . 5.500 4.843 4.663 5.425 . 0 0 "[ . 1 . 2]" 1
406 1 27 VAL QG 1 75 MET H 3.692 . 5.500 3.742 3.446 4.056 . 0 0 "[ . 1 . 2]" 1
407 1 27 VAL QG 1 77 LEU H 3.319 . 5.500 3.767 3.487 4.352 . 0 0 "[ . 1 . 2]" 1
408 1 27 VAL QG 1 84 ILE MD 2.370 . 5.500 3.387 2.924 4.005 . 0 0 "[ . 1 . 2]" 1
409 1 27 VAL QG 1 93 TRP HE1 3.386 . 4.820 2.612 1.919 3.398 0.033 11 0 "[ . 1 . 2]" 1
410 1 27 VAL QG 1 95 GLN HA 3.397 . 4.839 4.030 3.635 4.269 . 0 0 "[ . 1 . 2]" 1
411 1 27 VAL QG 1 95 GLN HB3 3.128 . 5.500 2.661 2.243 3.123 . 0 0 "[ . 1 . 2]" 1
412 1 28 VAL H 1 28 VAL HA 2.866 . 3.893 2.946 2.930 2.957 . 0 0 "[ . 1 . 2]" 1
413 1 28 VAL H 1 28 VAL HB 3.265 . 4.598 3.806 3.760 3.841 . 0 0 "[ . 1 . 2]" 1
414 1 28 VAL H 1 28 VAL QG 2.763 . 2.867 1.943 1.839 2.074 . 0 0 "[ . 1 . 2]" 1
415 1 28 VAL H 1 29 MET H 3.353 . 4.758 4.375 4.306 4.436 . 0 0 "[ . 1 . 2]" 1
416 1 28 VAL HA 1 28 VAL HB 2.426 . 3.162 2.501 2.476 2.522 . 0 0 "[ . 1 . 2]" 1
417 1 28 VAL HA 1 28 VAL QG 2.440 . 3.184 2.295 2.266 2.317 . 0 0 "[ . 1 . 2]" 1
418 1 28 VAL HA 1 29 MET H 2.202 . 2.808 2.287 2.180 2.428 . 0 0 "[ . 1 . 2]" 1
419 1 28 VAL HA 1 73 ILE H 3.105 . 4.310 4.015 3.562 4.374 0.064 2 0 "[ . 1 . 2]" 1
420 1 28 VAL HA 1 73 ILE HG13 3.257 . 5.500 5.624 5.578 5.695 0.195 3 0 "[ . 1 . 2]" 1
421 1 28 VAL HA 1 74 GLU HA 2.703 . 3.617 2.270 1.968 2.437 . 0 0 "[ . 1 . 2]" 1
422 1 28 VAL HA 1 74 GLU HB3 2.820 . 3.814 3.476 3.106 4.473 0.659 10 2 "[ -. + . 2]" 1
423 1 28 VAL HA 1 75 MET H 2.954 . 4.045 3.351 3.077 3.597 . 0 0 "[ . 1 . 2]" 1
424 1 28 VAL HB 1 28 VAL QG 2.215 . 2.604 1.887 1.881 1.895 . 0 0 "[ . 1 . 2]" 1
425 1 28 VAL HB 1 29 MET H 2.481 . 3.250 2.749 2.209 3.068 . 0 0 "[ . 1 . 2]" 1
426 1 28 VAL HB 1 29 MET HA 2.183 . 5.500 4.217 3.983 4.374 . 0 0 "[ . 1 . 2]" 1
427 1 28 VAL HB 1 29 MET HB3 2.793 . 5.500 5.375 5.013 5.584 0.084 19 0 "[ . 1 . 2]" 1
428 1 28 VAL MG1 1 28 VAL MG2 2.110 . 2.525 2.037 2.004 2.063 . 0 0 "[ . 1 . 2]" 1
429 1 28 VAL QG 1 29 MET H 2.808 . 3.894 3.324 3.037 3.467 . 0 0 "[ . 1 . 2]" 1
430 1 28 VAL QG 1 74 GLU HA 2.763 . 3.717 2.568 2.367 2.729 . 0 0 "[ . 1 . 2]" 1
431 1 28 VAL QG 1 74 GLU HB3 2.257 . 5.500 3.383 3.064 3.734 . 0 0 "[ . 1 . 2]" 1
432 1 28 VAL QG 1 74 GLU HG3 2.793 . 3.427 2.681 1.602 3.134 0.216 10 0 "[ . 1 . 2]" 1
433 1 28 VAL QG 1 75 MET H 3.124 . 4.344 3.780 3.682 3.948 . 0 0 "[ . 1 . 2]" 1
434 1 29 MET H 1 29 MET HA 2.811 . 3.799 2.926 2.879 2.947 . 0 0 "[ . 1 . 2]" 1
435 1 29 MET H 1 29 MET HB2 3.286 . 4.635 3.899 3.794 3.995 . 0 0 "[ . 1 . 2]" 1
436 1 29 MET H 1 29 MET HB3 3.229 . 4.532 3.013 2.676 3.295 . 0 0 "[ . 1 . 2]" 1
437 1 29 MET H 1 29 MET QG 2.671 . 3.563 2.744 2.434 3.327 . 0 0 "[ . 1 . 2]" 1
438 1 29 MET H 1 30 GLU H 3.640 . 5.296 4.400 4.321 4.458 . 0 0 "[ . 1 . 2]" 1
439 1 29 MET H 1 72 PHE HA 3.153 . 5.500 3.998 3.464 4.257 . 0 0 "[ . 1 . 2]" 1
440 1 29 MET H 1 73 ILE HB 3.367 . 4.784 3.240 3.010 3.583 . 0 0 "[ . 1 . 2]" 1
441 1 29 MET H 1 73 ILE HG13 2.825 . 3.823 3.749 3.545 3.919 0.096 19 0 "[ . 1 . 2]" 1
442 1 29 MET H 1 74 GLU HA 2.972 . 4.076 3.900 3.435 4.047 . 0 0 "[ . 1 . 2]" 1
443 1 29 MET HA 1 29 MET HB2 2.477 . 3.244 2.323 2.207 2.419 . 0 0 "[ . 1 . 2]" 1
444 1 29 MET HA 1 29 MET HB3 2.560 . 3.379 2.603 2.462 2.813 . 0 0 "[ . 1 . 2]" 1
445 1 29 MET HA 1 30 GLU H 2.274 . 2.920 2.379 2.255 2.476 . 0 0 "[ . 1 . 2]" 1
446 1 29 MET HA 1 84 ILE MD 2.798 . 5.500 4.116 3.940 4.266 . 0 0 "[ . 1 . 2]" 1
447 1 29 MET HB2 1 29 MET QG 2.402 . 3.123 2.416 2.160 2.516 . 0 0 "[ . 1 . 2]" 1
448 1 29 MET HB2 1 30 GLU H 2.743 . 3.683 2.617 2.346 3.110 . 0 0 "[ . 1 . 2]" 1
449 1 29 MET HB2 1 30 GLU HB2 2.975 . 5.500 5.237 4.873 5.660 0.160 9 0 "[ . 1 . 2]" 1
450 1 29 MET HB2 1 73 ILE HG13 2.853 . 5.500 5.107 4.372 5.364 . 0 0 "[ . 1 . 2]" 1
451 1 29 MET HB2 1 89 LEU QB 2.098 . 5.500 5.101 4.927 5.388 . 0 0 "[ . 1 . 2]" 1
452 1 29 MET HB2 1 84 ILE MD . . 2.856 2.939 2.352 3.088 0.232 3 0 "[ . 1 . 2]" 1
453 1 29 MET HB3 1 29 MET QG 2.653 . 3.533 2.245 2.137 2.419 . 0 0 "[ . 1 . 2]" 1
454 1 29 MET HB3 1 30 GLU H 2.830 . 5.500 3.939 3.776 4.207 . 0 0 "[ . 1 . 2]" 1
455 1 29 MET HB3 1 31 VAL MG2 2.873 . 5.500 4.576 4.413 4.734 . 0 0 "[ . 1 . 2]" 1
456 1 29 MET QG 1 30 GLU H 3.268 . 4.603 3.203 2.865 3.746 . 0 0 "[ . 1 . 2]" 1
457 1 29 MET QG 1 30 GLU HB3 1.673 . 5.500 4.777 4.166 5.212 . 0 0 "[ . 1 . 2]" 1
458 1 29 MET QG 1 31 VAL MG1 2.596 . 5.500 3.150 2.359 3.999 . 0 0 "[ . 1 . 2]" 1
459 1 29 MET QG 1 31 VAL MG2 2.584 . 3.419 3.216 3.141 3.281 . 0 0 "[ . 1 . 2]" 1
460 1 29 MET QG 1 63 PRO HB3 2.792 . 5.500 4.819 4.590 5.059 . 0 0 "[ . 1 . 2]" 1
461 1 29 MET QG 1 73 ILE H 3.207 . 4.493 3.191 2.857 3.416 . 0 0 "[ . 1 . 2]" 1
462 1 29 MET QG 1 73 ILE HB 2.694 . 3.601 2.383 2.048 2.848 . 0 0 "[ . 1 . 2]" 1
463 1 29 MET QG 1 73 ILE HB 2.727 . 3.468 2.357 2.042 2.761 . 0 0 "[ . 1 . 2]" 1
464 1 29 MET QG 1 73 ILE MD 2.711 . 3.630 2.186 1.847 3.063 . 0 0 "[ . 1 . 2]" 1
465 1 29 MET QG 1 73 ILE HG13 2.768 . 3.550 2.448 1.986 2.723 . 0 0 "[ . 1 . 2]" 1
466 1 29 MET QG 1 84 ILE HB 3.109 . 4.317 2.589 2.084 3.545 . 0 0 "[ . 1 . 2]" 1
467 1 30 GLU H 1 30 GLU HA 2.874 . 3.906 2.943 2.932 2.953 . 0 0 "[ . 1 . 2]" 1
468 1 30 GLU H 1 30 GLU HB2 2.915 . 3.977 2.758 2.431 3.041 . 0 0 "[ . 1 . 2]" 1
469 1 30 GLU H 1 30 GLU HB3 2.905 . 3.960 3.042 2.669 3.647 . 0 0 "[ . 1 . 2]" 1
470 1 30 GLU H 1 30 GLU QG 3.089 . 5.500 4.020 3.596 4.163 . 0 0 "[ . 1 . 2]" 1
471 1 30 GLU H 1 31 VAL H 3.353 . 4.758 4.298 4.179 4.383 . 0 0 "[ . 1 . 2]" 1
472 1 30 GLU HA 1 30 GLU HB3 2.359 . 3.055 2.935 2.689 3.011 . 0 0 "[ . 1 . 2]" 1
473 1 30 GLU HA 1 30 GLU QG 2.633 . 3.130 2.263 2.161 2.355 . 0 0 "[ . 1 . 2]" 1
474 1 30 GLU HA 1 31 VAL H 2.179 . 2.772 2.163 2.128 2.226 . 0 0 "[ . 1 . 2]" 1
475 1 30 GLU HA 1 31 VAL MG2 2.865 . 5.500 3.326 2.999 3.664 . 0 0 "[ . 1 . 2]" 1
476 1 30 GLU HA 1 72 PHE HA 2.588 . 3.425 2.831 2.456 3.205 . 0 0 "[ . 1 . 2]" 1
477 1 30 GLU HA 1 73 ILE H 2.891 . 3.936 3.787 3.556 3.956 0.020 18 0 "[ . 1 . 2]" 1
478 1 30 GLU QB 1 30 GLU QG 1.941 . 2.412 2.071 2.039 2.084 . 0 0 "[ . 1 . 2]" 1
479 1 30 GLU HB2 1 30 GLU QG 2.132 . 5.500 2.376 2.309 2.484 . 0 0 "[ . 1 . 2]" 1
480 1 30 GLU HB2 1 31 VAL H 3.325 . 4.707 4.384 4.277 4.542 . 0 0 "[ . 1 . 2]" 1
481 1 30 GLU HB2 1 73 ILE H 3.665 . 5.500 5.355 4.929 5.660 0.160 17 0 "[ . 1 . 2]" 1
482 1 30 GLU HB3 1 30 GLU QG 2.162 . 2.747 2.286 2.167 2.361 . 0 0 "[ . 1 . 2]" 1
483 1 30 GLU HB3 1 31 VAL H 3.008 . 4.139 3.815 3.172 4.152 0.013 9 0 "[ . 1 . 2]" 1
484 1 30 GLU QG 1 31 VAL H 2.715 . 3.637 3.004 2.604 3.494 . 0 0 "[ . 1 . 2]" 1
485 1 30 GLU QG 1 72 PHE H 3.231 . 5.500 4.412 3.924 5.066 . 0 0 "[ . 1 . 2]" 1
486 1 30 GLU QG 1 72 PHE HA 2.829 . 3.829 3.172 2.356 3.994 0.165 18 0 "[ . 1 . 2]" 1
487 1 30 GLU QG 1 73 ILE H 3.302 . 4.665 4.300 3.641 4.875 0.210 10 0 "[ . 1 . 2]" 1
488 1 31 VAL H 1 31 VAL MG1 2.315 . 5.500 3.325 3.003 3.655 . 0 0 "[ . 1 . 2]" 1
489 1 31 VAL H 1 31 VAL MG2 2.745 . 3.687 2.145 2.045 2.306 . 0 0 "[ . 1 . 2]" 1
490 1 31 VAL H 1 32 GLY H 1.792 . 5.500 4.426 4.356 4.487 . 0 0 "[ . 1 . 2]" 1
491 1 31 VAL H 1 71 GLY H 3.641 . 5.298 3.521 2.877 3.913 . 0 0 "[ . 1 . 2]" 1
492 1 31 VAL H 1 71 GLY HA2 3.215 . 5.500 4.368 3.556 5.133 . 0 0 "[ . 1 . 2]" 1
493 1 31 VAL H 1 71 GLY HA3 3.257 . 5.500 5.145 4.613 5.597 0.097 5 0 "[ . 1 . 2]" 1
494 1 31 VAL H 1 72 PHE HA 3.208 . 4.494 4.343 3.911 4.632 0.138 6 0 "[ . 1 . 2]" 1
495 1 31 VAL H 1 73 ILE H 3.532 . 5.091 5.203 4.653 5.594 0.503 7 1 "[ . + 1 . 2]" 1
496 1 31 VAL HA 1 31 VAL HB 2.480 . 3.249 2.608 2.494 2.731 . 0 0 "[ . 1 . 2]" 1
497 1 31 VAL HA 1 31 VAL MG1 2.315 . 2.985 2.223 2.155 2.287 . 0 0 "[ . 1 . 2]" 1
498 1 31 VAL HA 1 31 VAL MG2 3.048 . 4.209 3.166 3.100 3.213 . 0 0 "[ . 1 . 2]" 1
499 1 31 VAL HA 1 32 GLY H 2.321 . 2.995 2.259 2.173 2.353 . 0 0 "[ . 1 . 2]" 1
500 1 31 VAL HB 1 31 VAL MG1 2.182 . 5.500 2.124 2.111 2.133 . 0 0 "[ . 1 . 2]" 1
501 1 31 VAL HB 1 31 VAL MG2 2.344 . 3.015 2.129 2.121 2.135 . 0 0 "[ . 1 . 2]" 1
502 1 31 VAL HB 1 32 GLY H 2.604 . 3.452 2.812 2.547 3.055 . 0 0 "[ . 1 . 2]" 1
503 1 31 VAL MG1 1 31 VAL MG2 2.096 . 5.500 2.066 2.038 2.082 . 0 0 "[ . 1 . 2]" 1
504 1 31 VAL MG1 1 32 GLY H 2.885 . 3.925 3.365 2.950 3.717 . 0 0 "[ . 1 . 2]" 1
505 1 31 VAL MG1 1 86 VAL MG2 2.338 . 5.500 2.280 1.821 2.613 . 0 0 "[ . 1 . 2]" 1
506 1 31 VAL MG1 1 89 LEU MD1 2.662 . 3.547 3.744 3.356 4.482 0.935 19 5 "[ -* . 1* *. +2]" 1
507 1 31 VAL MG1 1 89 LEU MD2 3.015 . 4.151 2.008 1.845 2.378 0.034 18 0 "[ . 1 . 2]" 1
508 1 31 VAL MG2 1 32 GLY H 3.243 . 5.500 3.988 3.740 4.170 . 0 0 "[ . 1 . 2]" 1
509 1 31 VAL MG2 1 43 VAL MG2 1.813 . 5.500 3.078 2.890 3.474 . 0 0 "[ . 1 . 2]" 1
510 1 31 VAL MG2 1 69 GLY HA3 2.526 . 5.500 4.780 4.470 5.204 . 0 0 "[ . 1 . 2]" 1
511 1 31 VAL MG2 1 70 GLY HA2 3.080 . 4.266 3.540 3.276 4.060 . 0 0 "[ . 1 . 2]" 1
512 1 31 VAL MG2 1 70 GLY HA3 2.635 . 3.503 1.998 1.706 2.569 0.061 13 0 "[ . 1 . 2]" 1
513 1 31 VAL MG2 1 71 GLY H 3.298 . 4.658 3.683 2.996 4.073 . 0 0 "[ . 1 . 2]" 1
514 1 31 VAL MG2 1 86 VAL MG2 2.249 . 5.500 3.417 3.145 3.878 . 0 0 "[ . 1 . 2]" 1
515 1 31 VAL MG2 1 86 VAL MG1 2.459 . 5.500 2.820 2.506 3.055 . 0 0 "[ . 1 . 2]" 1
516 1 32 GLY H 1 32 GLY HA2 2.746 . 3.688 2.962 2.947 2.970 . 0 0 "[ . 1 . 2]" 1
517 1 32 GLY H 1 32 GLY HA3 2.569 . 3.394 2.462 2.402 2.527 . 0 0 "[ . 1 . 2]" 1
518 1 32 GLY H 1 33 PHE H 3.170 . 5.500 4.511 4.423 4.562 . 0 0 "[ . 1 . 2]" 1
519 1 32 GLY H 1 89 LEU MD2 3.597 . 5.500 4.201 3.631 4.523 . 0 0 "[ . 1 . 2]" 1
520 1 32 GLY HA2 1 33 PHE H 2.372 . 3.075 2.288 2.166 2.413 . 0 0 "[ . 1 . 2]" 1
521 1 32 GLY HA3 1 33 PHE H 2.447 . 3.195 2.987 2.829 3.117 . 0 0 "[ . 1 . 2]" 1
522 1 33 PHE H 1 33 PHE HA 2.904 . 3.958 2.928 2.908 2.951 . 0 0 "[ . 1 . 2]" 1
523 1 33 PHE H 1 33 PHE QB 2.913 . 3.974 2.665 2.511 2.939 . 0 0 "[ . 1 . 2]" 1
524 1 33 PHE H 1 34 SER H 3.492 . 5.017 4.466 4.399 4.566 . 0 0 "[ . 1 . 2]" 1
525 1 33 PHE H 1 34 SER H 3.378 . 4.805 3.504 2.949 4.011 . 0 0 "[ . 1 . 2]" 1
526 1 33 PHE H 1 65 MET QB 2.951 . 4.039 4.305 3.812 4.557 0.518 4 1 "[ +. 1 . 2]" 1
527 1 33 PHE HA 1 33 PHE QB 2.768 . 3.726 2.186 2.152 2.355 . 0 0 "[ . 1 . 2]" 1
528 1 33 PHE HA 1 34 SER H 2.282 . 2.933 2.529 2.367 2.570 . 0 0 "[ . 1 . 2]" 1
529 1 33 PHE HA 1 35 GLY H 3.408 . 4.860 4.435 3.955 4.956 0.096 19 0 "[ . 1 . 2]" 1
530 1 33 PHE HA 1 69 GLY HA3 3.156 . 5.500 5.131 4.462 5.508 0.008 19 0 "[ . 1 . 2]" 1
531 1 33 PHE QB 1 34 SER H 3.472 . 4.979 2.159 1.954 2.503 0.011 1 0 "[ . 1 . 2]" 1
532 1 33 PHE QB 1 65 MET QB 2.660 . 3.545 2.450 1.846 3.384 . 0 0 "[ . 1 . 2]" 1
533 1 34 SER H 1 34 SER HA 2.865 . 3.891 2.913 2.852 2.943 . 0 0 "[ . 1 . 2]" 1
534 1 34 SER H 1 35 GLY H 2.762 . 3.716 2.124 1.805 2.928 0.003 14 0 "[ . 1 . 2]" 1
535 1 34 SER H 1 35 GLY HA2 3.512 . 5.054 4.628 4.455 4.883 . 0 0 "[ . 1 . 2]" 1
536 1 34 SER H 1 69 GLY HA2 2.501 . 5.500 5.603 5.373 5.797 0.297 1 0 "[ . 1 . 2]" 1
537 1 34 SER HA 1 35 GLY H 3.078 . 4.262 3.260 2.554 3.599 . 0 0 "[ . 1 . 2]" 1
538 1 35 GLY H 1 35 GLY HA2 2.498 . 3.278 2.819 2.614 2.953 . 0 0 "[ . 1 . 2]" 1
539 1 35 GLY H 1 35 GLY HA3 2.613 . 3.466 2.784 2.496 2.950 . 0 0 "[ . 1 . 2]" 1
540 1 35 GLY H 1 36 THR H 3.091 . 4.286 2.299 1.771 3.415 0.125 14 0 "[ . 1 . 2]" 1
541 1 35 GLY HA2 1 36 THR H 2.527 . 5.500 3.383 2.855 3.575 . 0 0 "[ . 1 . 2]" 1
542 1 35 GLY HA3 1 36 THR H 2.452 . 3.204 2.897 2.207 3.552 0.348 20 0 "[ . 1 . 2]" 1
543 1 36 THR H 1 36 THR HA 2.426 . 3.162 2.425 2.327 2.539 . 0 0 "[ . 1 . 2]" 1
544 1 36 THR H 1 36 THR MG 2.868 . 5.500 3.772 3.657 3.891 . 0 0 "[ . 1 . 2]" 1
545 1 36 THR H 1 37 ARG H 3.307 . 4.674 4.493 4.320 4.639 . 0 0 "[ . 1 . 2]" 1
546 1 36 THR HA 1 36 THR MG 2.200 . 5.500 2.336 2.268 2.416 . 0 0 "[ . 1 . 2]" 1
547 1 36 THR HA 1 37 ARG H 2.067 . 2.601 2.200 2.153 2.264 . 0 0 "[ . 1 . 2]" 1
548 1 36 THR HB 1 36 THR MG 2.029 . 2.544 2.132 2.128 2.137 . 0 0 "[ . 1 . 2]" 1
549 1 36 THR MG 1 37 ARG H 2.383 . 3.093 2.709 2.493 2.898 . 0 0 "[ . 1 . 2]" 1
550 1 36 THR MG 1 39 CYS HA 2.677 . 3.573 3.582 3.371 3.785 0.212 8 0 "[ . 1 . 2]" 1
551 1 36 THR MG 1 39 CYS QB 2.913 . 3.974 1.815 1.699 1.984 0.200 1 0 "[ . 1 . 2]" 1
552 1 37 ARG H 1 37 ARG HA 2.601 . 3.447 2.856 2.824 2.880 . 0 0 "[ . 1 . 2]" 1
553 1 37 ARG H 1 37 ARG HB2 2.674 . 3.568 3.603 3.574 3.634 0.066 11 0 "[ . 1 . 2]" 1
554 1 37 ARG H 1 37 ARG HG3 2.665 . 3.553 3.192 2.531 3.618 0.065 8 0 "[ . 1 . 2]" 1
555 1 37 ARG HA 1 37 ARG HB2 2.661 . 3.546 2.391 2.324 2.488 . 0 0 "[ . 1 . 2]" 1
556 1 37 ARG HA 1 38 PRO HG2 2.819 . 5.500 5.058 4.931 5.231 . 0 0 "[ . 1 . 2]" 1
557 1 37 ARG HA 1 39 CYS H 2.907 . 5.500 5.014 4.790 5.211 . 0 0 "[ . 1 . 2]" 1
558 1 37 ARG HB2 1 37 ARG HG3 2.364 . 3.063 2.592 2.452 2.914 . 0 0 "[ . 1 . 2]" 1
559 1 37 ARG HB2 1 38 PRO HG2 2.770 . 5.500 3.933 3.719 4.143 . 0 0 "[ . 1 . 2]" 1
560 1 37 ARG HG3 1 38 PRO HA 2.474 . 5.500 4.904 4.437 5.383 . 0 0 "[ . 1 . 2]" 1
561 1 37 ARG HG3 1 39 CYS H 3.064 . 5.500 5.338 4.988 5.572 0.072 11 0 "[ . 1 . 2]" 1
562 1 38 PRO HA 1 38 PRO HB2 2.501 . 3.283 3.008 3.002 3.014 . 0 0 "[ . 1 . 2]" 1
563 1 38 PRO HA 1 38 PRO HB3 2.543 . 3.351 2.343 2.323 2.356 . 0 0 "[ . 1 . 2]" 1
564 1 38 PRO HA 1 39 CYS H 2.376 . 3.081 2.143 2.113 2.176 . 0 0 "[ . 1 . 2]" 1
565 1 38 PRO HA 1 65 MET H 3.398 . 4.842 3.253 3.111 3.368 . 0 0 "[ . 1 . 2]" 1
566 1 38 PRO HB2 1 38 PRO HD2 2.784 . 3.753 3.126 3.044 3.235 . 0 0 "[ . 1 . 2]" 1
567 1 38 PRO HB2 1 39 CYS H 2.648 . 5.500 4.354 4.336 4.365 . 0 0 "[ . 1 . 2]" 1
568 1 38 PRO HB3 1 38 PRO HD2 2.967 . 4.067 4.012 3.984 4.046 . 0 0 "[ . 1 . 2]" 1
569 1 38 PRO HB3 1 38 PRO HD2 2.712 . 3.631 2.879 2.842 2.957 . 0 0 "[ . 1 . 2]" 1
570 1 38 PRO HB3 1 38 PRO HG2 2.688 . 3.591 2.661 2.640 2.689 . 0 0 "[ . 1 . 2]" 1
571 1 38 PRO HB3 1 39 CYS H 2.885 . 3.926 3.999 3.961 4.046 0.120 6 0 "[ . 1 . 2]" 1
572 1 38 PRO HB3 1 64 THR MG 3.137 . 4.367 3.518 3.316 3.792 . 0 0 "[ . 1 . 2]" 1
573 1 38 PRO HB3 1 65 MET QB 2.870 . 5.500 5.007 4.605 5.621 0.121 4 0 "[ . 1 . 2]" 1
574 1 38 PRO HB3 1 66 GLU HG3 1.708 . 5.500 4.751 3.909 5.411 . 0 0 "[ . 1 . 2]" 1
575 1 38 PRO HD2 1 38 PRO HG2 2.336 . 3.018 2.289 2.277 2.299 . 0 0 "[ . 1 . 2]" 1
576 1 38 PRO HD2 1 38 PRO HG3 2.344 . 3.031 2.950 2.929 2.966 . 0 0 "[ . 1 . 2]" 1
577 1 38 PRO HG3 1 65 MET H 3.176 . 5.500 5.599 5.550 5.642 0.142 1 0 "[ . 1 . 2]" 1
578 1 38 PRO HG3 1 66 GLU HB2 2.296 . 5.500 4.441 3.923 5.202 . 0 0 "[ . 1 . 2]" 1
579 1 38 PRO HG3 1 66 GLU HG2 2.967 . 4.067 2.380 1.811 3.991 0.056 1 0 "[ . 1 . 2]" 1
580 1 39 CYS H 1 39 CYS HA 2.667 . 3.556 2.950 2.942 2.963 . 0 0 "[ . 1 . 2]" 1
581 1 39 CYS H 1 39 CYS QB 3.388 . 4.823 2.878 2.650 3.040 . 0 0 "[ . 1 . 2]" 1
582 1 39 CYS H 1 40 ARG H 3.405 . 4.854 4.492 4.454 4.516 . 0 0 "[ . 1 . 2]" 1
583 1 39 CYS H 1 41 ILE H 3.060 . 5.500 5.422 5.121 5.547 0.047 1 0 "[ . 1 . 2]" 1
584 1 39 CYS H 1 64 THR HB 3.287 . 4.638 3.324 2.804 3.630 . 0 0 "[ . 1 . 2]" 1
585 1 39 CYS H 1 64 THR MG 2.966 . 4.065 3.844 3.665 3.899 . 0 0 "[ . 1 . 2]" 1
586 1 39 CYS H 1 65 MET H 1.675 . 2.026 2.222 2.064 2.346 0.320 16 0 "[ . 1 . 2]" 1
587 1 39 CYS HA 1 39 CYS QB 2.373 . 3.077 2.186 2.171 2.203 . 0 0 "[ . 1 . 2]" 1
588 1 39 CYS HA 1 40 ARG H 2.325 . 3.001 2.330 2.202 2.476 . 0 0 "[ . 1 . 2]" 1
589 1 39 CYS HA 1 40 ARG QD 2.760 . 3.712 3.231 2.684 3.775 0.063 19 0 "[ . 1 . 2]" 1
590 1 39 CYS QB 1 40 ARG H 2.940 . 3.756 2.530 2.204 2.808 . 0 0 "[ . 1 . 2]" 1
591 1 40 ARG H 1 40 ARG QB 2.733 . 3.667 2.425 2.290 2.623 . 0 0 "[ . 1 . 2]" 1
592 1 40 ARG H 1 40 ARG QD 2.927 . 3.998 2.398 1.868 3.233 . 0 0 "[ . 1 . 2]" 1
593 1 40 ARG H 1 40 ARG HG2 3.070 . 4.248 3.413 2.043 4.227 . 0 0 "[ . 1 . 2]" 1
594 1 40 ARG H 1 41 ILE H 3.310 . 4.679 4.276 4.184 4.365 . 0 0 "[ . 1 . 2]" 1
595 1 40 ARG HA 1 65 MET H 3.091 . 5.500 4.704 4.298 5.035 . 0 0 "[ . 1 . 2]" 1
596 1 40 ARG QB 1 40 ARG QD 2.741 . 3.680 2.437 2.189 2.908 . 0 0 "[ . 1 . 2]" 1
597 1 40 ARG QB 1 40 ARG HG2 2.432 . 2.830 2.209 2.145 2.336 . 0 0 "[ . 1 . 2]" 1
598 1 40 ARG QB 1 42 PRO HB3 2.343 . 5.500 5.610 5.219 5.814 0.314 19 0 "[ . 1 . 2]" 1
599 1 40 ARG QD 1 40 ARG HG2 2.316 . 2.986 2.326 2.164 2.397 . 0 0 "[ . 1 . 2]" 1
600 1 40 ARG QD 1 64 THR MG 2.772 . 3.732 2.802 1.945 3.508 . 0 0 "[ . 1 . 2]" 1
601 1 41 ILE H 1 42 PRO HD2 3.768 . 5.543 4.924 4.825 5.013 . 0 0 "[ . 1 . 2]" 1
602 1 41 ILE H 1 64 THR HA 2.589 . 3.427 3.043 2.699 3.362 . 0 0 "[ . 1 . 2]" 1
603 1 41 ILE H 1 64 THR MG 3.088 . 4.280 3.813 3.508 3.975 . 0 0 "[ . 1 . 2]" 1
604 1 41 ILE H 1 65 MET H 3.111 . 5.500 4.251 4.002 4.566 . 0 0 "[ . 1 . 2]" 1
605 1 42 PRO HA 1 43 VAL H 2.029 . 2.544 2.351 2.250 2.452 . 0 0 "[ . 1 . 2]" 1
606 1 42 PRO HB2 1 43 VAL H 2.973 . 5.500 4.210 4.089 4.287 . 0 0 "[ . 1 . 2]" 1
607 1 42 PRO HB2 1 87 GLY H 3.051 . 4.215 3.559 3.062 3.996 . 0 0 "[ . 1 . 2]" 1
608 1 42 PRO HB2 1 87 GLY QA 2.841 . 5.500 3.122 2.907 3.348 . 0 0 "[ . 1 . 2]" 1
609 1 42 PRO HB3 1 42 PRO QG 1.758 . 2.144 2.243 2.231 2.254 0.110 4 0 "[ . 1 . 2]" 1
610 1 42 PRO HB3 1 43 VAL MG2 2.189 . 5.500 5.040 4.674 5.135 . 0 0 "[ . 1 . 2]" 1
611 1 42 PRO HB3 1 87 GLY H 2.742 . 5.500 3.323 2.924 3.580 . 0 0 "[ . 1 . 2]" 1
612 1 42 PRO HB3 1 43 VAL H 3.077 . 5.500 4.508 4.412 4.584 . 0 0 "[ . 1 . 2]" 1
613 1 42 PRO HD2 1 42 PRO QG 2.540 . 3.347 2.180 2.177 2.186 . 0 0 "[ . 1 . 2]" 1
614 1 42 PRO HD3 1 42 PRO QG 2.509 . 3.296 2.216 2.197 2.232 . 0 0 "[ . 1 . 2]" 1
615 1 42 PRO QG 1 43 VAL H 3.643 . 5.302 4.688 4.575 4.762 . 0 0 "[ . 1 . 2]" 1
616 1 42 PRO QG 1 87 GLY H 2.753 . 3.701 3.362 2.945 3.629 . 0 0 "[ . 1 . 2]" 1
617 1 42 PRO QG 1 87 GLY QA 2.856 . 3.660 2.459 2.174 2.812 . 0 0 "[ . 1 . 2]" 1
618 1 42 PRO QG 1 88 ASP H 2.930 . 5.500 4.665 4.356 4.975 . 0 0 "[ . 1 . 2]" 1
619 1 43 VAL H 1 43 VAL HA 2.683 . 3.583 2.935 2.901 2.951 . 0 0 "[ . 1 . 2]" 1
620 1 43 VAL H 1 43 VAL HB 2.622 . 3.482 3.657 3.445 3.727 0.245 18 0 "[ . 1 . 2]" 1
621 1 43 VAL H 1 43 VAL MG2 2.187 . 2.785 1.882 1.570 1.987 0.019 4 0 "[ . 1 . 2]" 1
622 1 43 VAL H 1 44 ARG H 3.185 . 4.453 4.372 4.265 4.443 . 0 0 "[ . 1 . 2]" 1
623 1 43 VAL H 1 58 LEU MD1 3.381 . 5.500 4.260 4.085 4.381 . 0 0 "[ . 1 . 2]" 1
624 1 43 VAL H 1 87 GLY H 3.261 . 5.500 5.166 4.853 5.440 . 0 0 "[ . 1 . 2]" 1
625 1 43 VAL HA 1 43 VAL HB 2.818 . 3.811 2.518 2.464 2.734 . 0 0 "[ . 1 . 2]" 1
626 1 43 VAL HA 1 43 VAL MG1 2.668 . 3.558 2.234 2.084 2.295 . 0 0 "[ . 1 . 2]" 1
627 1 43 VAL HA 1 43 VAL MG1 2.332 . 3.012 2.213 2.066 2.269 . 0 0 "[ . 1 . 2]" 1
628 1 43 VAL HA 1 43 VAL MG2 3.057 . 4.225 3.190 3.049 3.210 . 0 0 "[ . 1 . 2]" 1
629 1 43 VAL HA 1 44 ARG H 2.109 . 2.665 2.092 2.030 2.127 . 0 0 "[ . 1 . 2]" 1
630 1 43 VAL HA 1 84 ILE HB 2.008 . 5.500 6.347 6.164 6.489 0.989 20 20 [***-***************+] 1
631 1 43 VAL HA 1 86 VAL HA 2.508 . 3.294 2.211 2.060 2.390 . 0 0 "[ . 1 . 2]" 1
632 1 43 VAL HA 1 86 VAL MG1 2.771 . 3.731 3.195 2.979 3.547 . 0 0 "[ . 1 . 2]" 1
633 1 43 VAL HA 1 87 GLY H 2.986 . 4.101 3.305 2.869 3.619 . 0 0 "[ . 1 . 2]" 1
634 1 43 VAL HB 1 43 VAL MG1 2.092 . 2.639 2.124 2.102 2.129 . 0 0 "[ . 1 . 2]" 1
635 1 43 VAL HB 1 43 VAL MG2 2.186 . 2.783 2.130 2.089 2.136 . 0 0 "[ . 1 . 2]" 1
636 1 43 VAL HB 1 44 ARG H 2.806 . 3.791 2.882 2.840 2.936 . 0 0 "[ . 1 . 2]" 1
637 1 43 VAL HB 1 58 LEU MD2 2.209 . 2.819 2.112 2.088 2.122 . 0 0 "[ . 1 . 2]" 1
638 1 43 VAL HB 1 73 ILE MD 2.923 . 3.991 3.585 3.324 4.083 0.092 20 0 "[ . 1 . 2]" 1
639 1 43 VAL HB 1 75 MET HB3 2.447 . 5.500 5.334 5.018 5.538 0.038 13 0 "[ . 1 . 2]" 1
640 1 43 VAL MG1 1 63 PRO HD3 2.963 . 5.500 5.043 4.432 6.346 0.846 4 1 "[ +. 1 . 2]" 1
641 1 43 VAL MG1 1 63 PRO HG2 3.017 . 4.155 3.186 2.679 4.473 0.318 4 0 "[ . 1 . 2]" 1
642 1 43 VAL MG1 1 63 PRO HG3 2.951 . 4.040 3.301 2.624 4.461 0.421 4 0 "[ . 1 . 2]" 1
643 1 43 VAL MG1 1 73 ILE MD 2.063 . 2.595 1.794 1.499 2.255 0.032 14 0 "[ . 1 . 2]" 1
644 1 43 VAL MG1 1 86 VAL MG1 2.322 . 2.688 1.698 1.375 1.876 0.273 4 0 "[ . 1 . 2]" 1
645 1 43 VAL MG1 1 86 VAL MG2 3.047 . 4.208 2.190 1.634 2.918 0.252 4 0 "[ . 1 . 2]" 1
646 1 43 VAL MG2 1 73 ILE MD 2.195 . 5.500 3.096 2.601 3.572 . 0 0 "[ . 1 . 2]" 1
647 1 44 ARG H 1 44 ARG HA 2.768 . 3.726 2.933 2.911 2.952 . 0 0 "[ . 1 . 2]" 1
648 1 44 ARG H 1 44 ARG HB2 3.325 . 4.707 3.848 3.776 3.901 . 0 0 "[ . 1 . 2]" 1
649 1 44 ARG H 1 44 ARG HD2 3.646 . 5.308 5.046 4.915 5.138 . 0 0 "[ . 1 . 2]" 1
650 1 44 ARG H 1 44 ARG QG 2.825 . 3.823 2.269 2.137 2.423 . 0 0 "[ . 1 . 2]" 1
651 1 44 ARG H 1 45 ALA H 3.438 . 4.916 4.347 4.306 4.409 . 0 0 "[ . 1 . 2]" 1
652 1 44 ARG H 1 84 ILE MG 2.446 . 3.194 3.169 3.037 3.267 0.073 4 0 "[ . 1 . 2]" 1
653 1 44 ARG H 1 85 TYR HB2 3.193 . 4.468 4.296 3.832 4.584 0.116 7 0 "[ . 1 . 2]" 1
654 1 44 ARG H 1 85 TYR HB3 3.519 . 5.067 3.875 3.563 4.070 . 0 0 "[ . 1 . 2]" 1
655 1 44 ARG H 1 86 VAL HA 3.128 . 4.351 3.221 3.030 3.520 . 0 0 "[ . 1 . 2]" 1
656 1 44 ARG H 1 86 VAL MG1 3.749 . 5.506 4.701 4.515 4.978 . 0 0 "[ . 1 . 2]" 1
657 1 44 ARG H 1 87 GLY H 3.468 . 4.972 3.727 3.557 3.992 . 0 0 "[ . 1 . 2]" 1
658 1 44 ARG HA 1 44 ARG HB2 2.408 . 3.133 2.418 2.371 2.443 . 0 0 "[ . 1 . 2]" 1
659 1 44 ARG HA 1 44 ARG HB3 2.344 . 3.031 2.502 2.481 2.549 . 0 0 "[ . 1 . 2]" 1
660 1 44 ARG HA 1 45 ALA H 2.228 . 2.849 2.675 2.598 2.748 . 0 0 "[ . 1 . 2]" 1
661 1 44 ARG HA 1 54 ASN HD22 3.368 . 4.786 3.749 3.235 4.302 . 0 0 "[ . 1 . 2]" 1
662 1 44 ARG HA 1 56 ALA H 3.251 . 5.500 4.708 4.372 4.973 . 0 0 "[ . 1 . 2]" 1
663 1 44 ARG HB2 1 44 ARG HD2 2.438 . 3.181 2.620 2.426 2.802 . 0 0 "[ . 1 . 2]" 1
664 1 44 ARG HB2 1 45 ALA H 2.627 . 3.490 2.156 2.080 2.283 . 0 0 "[ . 1 . 2]" 1
665 1 44 ARG HB2 1 56 ALA MB 2.756 . 3.705 3.359 3.270 3.479 . 0 0 "[ . 1 . 2]" 1
666 1 44 ARG HB3 1 44 ARG HD2 2.432 . 3.171 3.089 2.888 3.209 0.038 4 0 "[ . 1 . 2]" 1
667 1 44 ARG HB3 1 45 ALA H 2.416 . 5.500 3.673 3.620 3.755 . 0 0 "[ . 1 . 2]" 1
668 1 44 ARG HD2 1 44 ARG QG 2.341 . 3.026 2.314 2.251 2.395 . 0 0 "[ . 1 . 2]" 1
669 1 44 ARG HD2 1 45 ALA H 3.214 . 4.506 4.114 3.953 4.379 . 0 0 "[ . 1 . 2]" 1
670 1 44 ARG HD2 1 46 VAL MG1 3.038 . 5.500 3.668 3.147 4.054 . 0 0 "[ . 1 . 2]" 1
671 1 44 ARG HE 1 85 TYR H 3.334 . 4.724 4.775 4.525 4.847 0.123 16 0 "[ . 1 . 2]" 1
672 1 44 ARG QG 1 45 ALA H 3.220 . 4.516 2.892 2.751 3.035 . 0 0 "[ . 1 . 2]" 1
673 1 44 ARG QG 1 45 ALA H 2.386 . 5.500 2.500 2.427 2.560 . 0 0 "[ . 1 . 2]" 1
674 1 44 ARG QG 1 45 ALA HA 2.053 . 5.500 3.245 3.191 3.306 . 0 0 "[ . 1 . 2]" 1
675 1 44 ARG QG 1 45 ALA MB 2.325 . 5.500 4.199 4.162 4.250 . 0 0 "[ . 1 . 2]" 1
676 1 44 ARG QG 1 46 VAL MG1 2.658 . 3.958 3.265 3.096 3.439 . 0 0 "[ . 1 . 2]" 1
677 1 44 ARG QG 1 46 VAL MG1 2.095 . 5.500 3.158 3.024 3.295 . 0 0 "[ . 1 . 2]" 1
678 1 44 ARG QG 1 84 ILE HA 2.420 . 5.500 4.540 4.383 4.703 . 0 0 "[ . 1 . 2]" 1
679 1 44 ARG QG 1 84 ILE MG 2.820 . 5.500 4.156 4.040 4.274 . 0 0 "[ . 1 . 2]" 1
680 1 44 ARG QG 1 85 TYR H 3.191 . 3.843 2.965 2.810 3.116 . 0 0 "[ . 1 . 2]" 1
681 1 44 ARG QG 1 85 TYR HA 2.918 . 5.500 4.214 4.113 4.355 . 0 0 "[ . 1 . 2]" 1
682 1 44 ARG QG 1 85 TYR HB2 2.529 . 3.328 2.319 1.944 2.693 . 0 0 "[ . 1 . 2]" 1
683 1 44 ARG QG 1 85 TYR HB3 3.142 . 3.433 2.247 1.901 2.480 0.007 7 0 "[ . 1 . 2]" 1
684 1 44 ARG QG 1 87 GLY QA 2.456 . 5.500 4.670 4.587 4.754 . 0 0 "[ . 1 . 2]" 1
685 1 45 ALA H 1 45 ALA HA 2.770 . 3.729 2.889 2.873 2.903 . 0 0 "[ . 1 . 2]" 1
686 1 45 ALA H 1 46 VAL H 3.685 . 5.383 4.243 4.179 4.310 . 0 0 "[ . 1 . 2]" 1
687 1 45 ALA H 1 46 VAL H 2.944 . 4.027 3.744 3.675 3.789 . 0 0 "[ . 1 . 2]" 1
688 1 45 ALA H 1 46 VAL MG1 3.311 . 4.682 4.033 3.949 4.126 . 0 0 "[ . 1 . 2]" 1
689 1 45 ALA H 1 54 ASN HA 2.864 . 5.500 3.714 3.415 3.955 . 0 0 "[ . 1 . 2]" 1
690 1 45 ALA H 1 54 ASN HD22 3.591 . 5.203 3.900 3.735 4.175 . 0 0 "[ . 1 . 2]" 1
691 1 45 ALA H 1 55 VAL H 2.810 . 5.500 3.908 3.600 4.112 . 0 0 "[ . 1 . 2]" 1
692 1 45 ALA H 1 55 VAL MG2 3.497 . 5.025 4.148 3.980 4.249 . 0 0 "[ . 1 . 2]" 1
693 1 45 ALA H 1 56 ALA H 2.534 . 5.500 3.176 2.924 3.404 . 0 0 "[ . 1 . 2]" 1
694 1 45 ALA H 1 56 ALA HA 3.408 . 4.859 4.083 4.013 4.152 . 0 0 "[ . 1 . 2]" 1
695 1 45 ALA H 1 56 ALA MB 2.429 . 5.500 2.074 1.932 2.254 . 0 0 "[ . 1 . 2]" 1
696 1 45 ALA HA 1 45 ALA MB 2.305 . 2.829 2.119 2.111 2.124 . 0 0 "[ . 1 . 2]" 1
697 1 45 ALA HA 1 46 VAL H 2.245 . 2.875 2.168 2.127 2.240 . 0 0 "[ . 1 . 2]" 1
698 1 45 ALA HA 1 46 VAL MG2 3.126 . 4.348 3.859 3.782 3.943 . 0 0 "[ . 1 . 2]" 1
699 1 45 ALA HA 1 83 ILE H 3.403 . 4.851 4.611 4.201 4.806 . 0 0 "[ . 1 . 2]" 1
700 1 45 ALA HA 1 84 ILE HA 2.536 . 3.340 2.161 2.068 2.265 . 0 0 "[ . 1 . 2]" 1
701 1 45 ALA HA 1 84 ILE MG 3.100 . 5.500 3.543 3.436 3.675 . 0 0 "[ . 1 . 2]" 1
702 1 45 ALA HA 1 85 TYR H 2.731 . 3.663 2.213 1.982 2.529 . 0 0 "[ . 1 . 2]" 1
703 1 45 ALA MB 1 46 VAL H 2.499 . 3.280 2.812 2.641 2.933 . 0 0 "[ . 1 . 2]" 1
704 1 45 ALA MB 1 55 VAL H 3.296 . 4.654 3.030 2.829 3.247 . 0 0 "[ . 1 . 2]" 1
705 1 45 ALA MB 1 55 VAL MG2 2.280 . 2.930 1.874 1.817 1.992 . 0 0 "[ . 1 . 2]" 1
706 1 45 ALA MB 1 56 ALA H 2.579 . 5.500 2.484 2.370 2.609 . 0 0 "[ . 1 . 2]" 1
707 1 45 ALA MB 1 56 ALA HA 2.464 . 3.223 2.113 2.061 2.179 . 0 0 "[ . 1 . 2]" 1
708 1 45 ALA MB 1 82 ASN HB3 2.912 . 5.500 3.348 3.013 3.748 . 0 0 "[ . 1 . 2]" 1
709 1 45 ALA MB 1 83 ILE HA 2.236 . 5.500 4.358 4.254 4.543 . 0 0 "[ . 1 . 2]" 1
710 1 45 ALA MB 1 83 ILE MD 2.107 . 5.500 3.946 3.809 4.036 . 0 0 "[ . 1 . 2]" 1
711 1 45 ALA MB 1 84 ILE HA 2.449 . 3.199 2.293 2.153 2.477 . 0 0 "[ . 1 . 2]" 1
712 1 45 ALA MB 1 84 ILE HB 2.494 . 5.500 4.455 4.278 4.587 . 0 0 "[ . 1 . 2]" 1
713 1 45 ALA MB 1 84 ILE HG13 2.375 . 5.500 3.489 3.195 3.667 . 0 0 "[ . 1 . 2]" 1
714 1 45 ALA MB 1 84 ILE MG 2.706 . 5.500 2.734 2.571 2.969 . 0 0 "[ . 1 . 2]" 1
715 1 46 VAL H 1 46 VAL HA 2.946 . 4.031 2.946 2.939 2.950 . 0 0 "[ . 1 . 2]" 1
716 1 46 VAL H 1 46 VAL HB 3.252 . 4.574 3.795 3.762 3.847 . 0 0 "[ . 1 . 2]" 1
717 1 46 VAL H 1 46 VAL MG2 2.363 . 3.061 2.206 2.131 2.326 . 0 0 "[ . 1 . 2]" 1
718 1 46 VAL H 1 47 ALA H 3.719 . 5.448 4.440 4.420 4.472 . 0 0 "[ . 1 . 2]" 1
719 1 46 VAL H 1 55 VAL MG2 3.382 . 4.812 3.183 2.966 3.366 . 0 0 "[ . 1 . 2]" 1
720 1 46 VAL H 1 82 ASN HA 3.364 . 5.500 5.132 4.885 5.507 0.007 5 0 "[ . 1 . 2]" 1
721 1 46 VAL H 1 83 ILE H 2.601 . 3.378 3.370 3.202 3.463 0.085 2 0 "[ . 1 . 2]" 1
722 1 46 VAL H 1 83 ILE MD 3.728 . 5.465 2.589 2.518 2.656 . 0 0 "[ . 1 . 2]" 1
723 1 46 VAL H 1 83 ILE MG 3.563 . 5.150 2.718 2.525 2.883 . 0 0 "[ . 1 . 2]" 1
724 1 46 VAL H 1 84 ILE HA 3.124 . 4.344 3.552 3.439 3.719 . 0 0 "[ . 1 . 2]" 1
725 1 46 VAL HA 1 46 VAL HB 2.511 . 3.299 2.404 2.381 2.429 . 0 0 "[ . 1 . 2]" 1
726 1 46 VAL HA 1 46 VAL MG1 2.242 . 2.871 2.418 2.373 2.494 . 0 0 "[ . 1 . 2]" 1
727 1 46 VAL HA 1 47 ALA H 2.309 . 2.975 2.518 2.448 2.604 . 0 0 "[ . 1 . 2]" 1
728 1 46 VAL HA 1 47 ALA MB 3.055 . 4.221 3.888 3.813 3.954 . 0 0 "[ . 1 . 2]" 1
729 1 46 VAL HA 1 51 PRO HB3 2.331 . 5.500 4.580 4.460 4.672 . 0 0 "[ . 1 . 2]" 1
730 1 46 VAL HA 1 55 VAL H 3.172 . 4.429 2.927 2.805 3.063 . 0 0 "[ . 1 . 2]" 1
731 1 46 VAL HA 1 55 VAL MG2 3.056 . 3.320 2.883 2.449 3.170 . 0 0 "[ . 1 . 2]" 1
732 1 46 VAL HB 1 46 VAL MG1 2.039 . 2.558 2.125 2.120 2.128 . 0 0 "[ . 1 . 2]" 1
733 1 46 VAL HB 1 47 ALA H 2.652 . 3.531 2.311 2.187 2.433 . 0 0 "[ . 1 . 2]" 1
734 1 46 VAL HB 1 51 PRO HA 2.737 . 3.674 2.230 1.975 2.567 . 0 0 "[ . 1 . 2]" 1
735 1 46 VAL HB 1 51 PRO HB3 2.688 . 3.591 3.348 3.152 3.556 . 0 0 "[ . 1 . 2]" 1
736 1 46 VAL QG 1 47 ALA H 2.622 . 3.481 2.892 2.790 3.059 . 0 0 "[ . 1 . 2]" 1
737 1 46 VAL MG1 1 51 PRO HA 2.672 . 2.803 2.169 1.962 2.432 . 0 0 "[ . 1 . 2]" 1
738 1 46 VAL MG1 1 51 PRO HB3 2.710 . 3.628 2.087 1.967 2.250 . 0 0 "[ . 1 . 2]" 1
739 1 46 VAL MG1 1 51 PRO HG3 2.769 . 3.728 2.316 2.205 2.480 . 0 0 "[ . 1 . 2]" 1
740 1 46 VAL MG1 1 52 GLU H 3.139 . 4.370 4.291 4.075 4.451 0.081 12 0 "[ . 1 . 2]" 1
741 1 46 VAL MG1 1 53 VAL H 3.015 . 5.500 4.995 4.661 5.216 . 0 0 "[ . 1 . 2]" 1
742 1 46 VAL MG1 1 54 ASN HA 2.849 . 3.863 3.701 3.623 3.755 . 0 0 "[ . 1 . 2]" 1
743 1 46 VAL MG1 1 83 ILE MD 2.721 . 5.500 3.292 3.101 3.385 . 0 0 "[ . 1 . 2]" 1
744 1 46 VAL MG1 1 83 ILE MG 2.407 . 5.500 3.842 3.742 3.937 . 0 0 "[ . 1 . 2]" 1
745 1 46 VAL MG2 1 48 HIS H 3.451 . 4.939 3.951 3.876 4.055 . 0 0 "[ . 1 . 2]" 1
746 1 46 VAL MG2 1 50 VAL H 3.086 . 4.277 2.722 2.551 2.903 . 0 0 "[ . 1 . 2]" 1
747 1 46 VAL MG2 1 85 TYR HA 2.152 . 5.500 4.966 4.761 5.127 . 0 0 "[ . 1 . 2]" 1
748 1 47 ALA H 1 47 ALA MB 2.305 . 2.969 2.215 2.148 2.301 . 0 0 "[ . 1 . 2]" 1
749 1 47 ALA H 1 48 HIS H 3.556 . 5.137 4.297 4.242 4.342 . 0 0 "[ . 1 . 2]" 1
750 1 47 ALA H 1 50 VAL H 3.731 . 5.471 3.278 3.021 3.468 . 0 0 "[ . 1 . 2]" 1
751 1 47 ALA H 1 50 VAL HB 3.631 . 5.279 3.655 3.491 3.894 . 0 0 "[ . 1 . 2]" 1
752 1 47 ALA H 1 51 PRO HA 3.823 . 5.650 3.689 3.417 3.893 . 0 0 "[ . 1 . 2]" 1
753 1 47 ALA H 1 55 VAL MG2 2.909 . 5.500 3.836 3.229 4.103 . 0 0 "[ . 1 . 2]" 1
754 1 47 ALA HA 1 47 ALA MB 2.149 . 5.500 2.108 2.094 2.122 . 0 0 "[ . 1 . 2]" 1
755 1 47 ALA HA 1 48 HIS H 2.183 . 2.779 2.128 2.111 2.153 . 0 0 "[ . 1 . 2]" 1
756 1 47 ALA HA 1 83 ILE H 3.106 . 4.312 3.321 3.178 3.776 . 0 0 "[ . 1 . 2]" 1
757 1 47 ALA HA 1 83 ILE MD 2.468 . 5.500 5.371 5.309 5.448 . 0 0 "[ . 1 . 2]" 1
758 1 47 ALA MB 1 48 HIS H 2.411 . 5.500 3.304 3.256 3.358 . 0 0 "[ . 1 . 2]" 1
759 1 47 ALA MB 1 50 VAL H 2.850 . 5.500 3.923 3.852 3.984 . 0 0 "[ . 1 . 2]" 1
760 1 47 ALA MB 1 50 VAL HB 2.677 . 3.573 3.362 3.170 3.463 . 0 0 "[ . 1 . 2]" 1
761 1 47 ALA MB 1 50 VAL MG2 2.312 . 5.500 4.227 4.027 4.356 . 0 0 "[ . 1 . 2]" 1
762 1 47 ALA MB 1 51 PRO HA 2.550 . 5.500 5.036 4.656 5.195 . 0 0 "[ . 1 . 2]" 1
763 1 47 ALA MB 1 52 GLU HB3 2.851 . 5.500 4.064 3.231 5.338 . 0 0 "[ . 1 . 2]" 1
764 1 47 ALA MB 1 55 VAL MG1 2.366 . 2.763 1.975 1.668 2.276 . 0 0 "[ . 1 . 2]" 1
765 1 47 ALA MB 1 55 VAL MG2 2.502 . 5.500 3.264 2.663 3.526 . 0 0 "[ . 1 . 2]" 1
766 1 47 ALA MB 1 82 ASN HA 2.911 . 5.500 3.839 3.370 4.053 . 0 0 "[ . 1 . 2]" 1
767 1 48 HIS H 1 48 HIS HA 2.424 . 3.159 2.281 2.271 2.292 . 0 0 "[ . 1 . 2]" 1
768 1 48 HIS H 1 48 HIS HB2 2.339 . 3.023 3.408 2.979 4.021 0.998 8 8 "[** . +*1 - . ***2]" 1
769 1 48 HIS H 1 48 HIS HB3 2.309 . 5.500 3.408 2.954 3.758 . 0 0 "[ . 1 . 2]" 1
770 1 48 HIS H 1 92 GLN H 3.278 . 5.500 5.727 5.648 5.819 0.319 3 0 "[ . 1 . 2]" 1
771 1 48 HIS H 1 81 ASP H 3.438 . 5.500 4.845 4.051 5.538 0.038 5 0 "[ . 1 . 2]" 1
772 1 48 HIS H 1 81 ASP QB 3.481 . 4.895 2.853 2.259 4.114 . 0 0 "[ . 1 . 2]" 1
773 1 48 HIS H 1 82 ASN HA 2.560 . 3.379 3.147 1.926 3.584 0.205 8 0 "[ . 1 . 2]" 1
774 1 48 HIS H 1 83 ILE H 3.209 . 4.497 3.646 3.396 4.224 . 0 0 "[ . 1 . 2]" 1
775 1 48 HIS HA 1 48 HIS HB2 2.522 . 3.317 2.541 2.451 2.620 . 0 0 "[ . 1 . 2]" 1
776 1 48 HIS HA 1 48 HIS HB3 2.444 . 3.191 2.756 2.327 3.031 . 0 0 "[ . 1 . 2]" 1
777 1 48 HIS HA 1 49 GLY H 2.542 . 3.350 2.402 2.295 2.503 . 0 0 "[ . 1 . 2]" 1
778 1 48 HIS HA 1 83 ILE MG 2.775 . 5.500 2.961 2.457 3.509 . 0 0 "[ . 1 . 2]" 1
779 1 48 HIS HB2 1 49 GLY H 3.696 . 5.404 4.513 4.281 4.675 . 0 0 "[ . 1 . 2]" 1
780 1 49 GLY H 1 49 GLY HA2 2.921 . 3.987 2.294 2.288 2.310 . 0 0 "[ . 1 . 2]" 1
781 1 49 GLY H 1 50 VAL H 2.768 . 3.726 2.795 2.698 2.882 . 0 0 "[ . 1 . 2]" 1
782 1 49 GLY HA2 1 50 VAL H 2.844 . 3.855 3.229 3.129 3.373 . 0 0 "[ . 1 . 2]" 1
783 1 49 GLY HA2 1 51 PRO HD3 2.789 . 5.500 4.627 4.414 4.815 . 0 0 "[ . 1 . 2]" 1
784 1 49 GLY HA2 1 51 PRO HG3 2.608 . 5.500 5.371 5.101 5.569 0.069 2 0 "[ . 1 . 2]" 1
785 1 49 GLY HA3 1 50 VAL H 2.642 . 3.514 3.375 3.230 3.442 . 0 0 "[ . 1 . 2]" 1
786 1 50 VAL H 1 50 VAL HA 2.648 . 3.525 2.946 2.936 2.953 . 0 0 "[ . 1 . 2]" 1
787 1 50 VAL H 1 50 VAL HB 2.480 . 3.249 2.648 2.610 2.721 . 0 0 "[ . 1 . 2]" 1
788 1 50 VAL H 1 50 VAL MG1 2.741 . 5.500 3.857 3.837 3.892 . 0 0 "[ . 1 . 2]" 1
789 1 50 VAL H 1 50 VAL MG2 2.298 . 2.958 2.525 2.350 2.621 . 0 0 "[ . 1 . 2]" 1
790 1 50 VAL H 1 51 PRO HA 3.528 . 5.084 5.085 4.995 5.143 0.059 18 0 "[ . 1 . 2]" 1
791 1 50 VAL H 1 51 PRO HD2 3.004 . 5.500 5.234 5.174 5.332 . 0 0 "[ . 1 . 2]" 1
792 1 50 VAL H 1 51 PRO HD3 3.254 . 4.578 4.084 3.999 4.172 . 0 0 "[ . 1 . 2]" 1
793 1 50 VAL H 1 51 PRO HG3 3.460 . 5.500 5.450 5.335 5.520 0.020 1 0 "[ . 1 . 2]" 1
794 1 50 VAL HA 1 50 VAL MG1 2.296 . 5.500 2.369 2.329 2.415 . 0 0 "[ . 1 . 2]" 1
795 1 50 VAL HA 1 50 VAL MG2 2.291 . 2.947 2.430 2.409 2.449 . 0 0 "[ . 1 . 2]" 1
796 1 50 VAL HA 1 51 PRO HD2 2.354 . 3.047 2.602 2.536 2.673 . 0 0 "[ . 1 . 2]" 1
797 1 50 VAL HA 1 51 PRO HD3 2.251 . 2.884 1.884 1.792 1.952 . 0 0 "[ . 1 . 2]" 1
798 1 50 VAL HA 1 51 PRO HG3 2.850 . 3.866 4.061 3.956 4.132 0.266 14 0 "[ . 1 . 2]" 1
799 1 50 VAL HA 1 52 GLU H 3.406 . 4.856 4.241 3.978 4.550 . 0 0 "[ . 1 . 2]" 1
800 1 50 VAL HB 1 50 VAL MG1 2.272 . 2.917 2.128 2.122 2.132 . 0 0 "[ . 1 . 2]" 1
801 1 50 VAL HB 1 50 VAL MG2 2.179 . 2.772 2.129 2.125 2.132 . 0 0 "[ . 1 . 2]" 1
802 1 50 VAL MG1 1 52 GLU H 2.703 . 3.617 2.420 2.061 2.783 . 0 0 "[ . 1 . 2]" 1
803 1 50 VAL MG1 1 52 GLU HG2 3.015 . 5.500 3.784 1.961 4.647 . 0 0 "[ . 1 . 2]" 1
804 1 50 VAL MG1 1 53 VAL H 2.626 . 5.500 4.090 3.675 4.423 . 0 0 "[ . 1 . 2]" 1
805 1 51 PRO HA 1 51 PRO HB3 2.816 . 3.807 2.270 2.262 2.277 . 0 0 "[ . 1 . 2]" 1
806 1 51 PRO HA 1 51 PRO HB3 2.199 . 2.803 2.228 2.224 2.231 . 0 0 "[ . 1 . 2]" 1
807 1 51 PRO HA 1 52 GLU H 2.601 . 3.447 2.670 2.493 2.881 . 0 0 "[ . 1 . 2]" 1
808 1 51 PRO HA 1 52 GLU HA 2.720 . 5.500 4.376 4.322 4.484 . 0 0 "[ . 1 . 2]" 1
809 1 51 PRO HA 1 53 VAL H 3.329 . 4.715 3.938 3.480 4.289 . 0 0 "[ . 1 . 2]" 1
810 1 51 PRO HB2 1 51 PRO HG3 1.943 . 2.415 2.223 2.193 2.244 . 0 0 "[ . 1 . 2]" 1
811 1 51 PRO HB3 1 51 PRO HD2 3.040 . 4.195 3.853 3.840 3.878 . 0 0 "[ . 1 . 2]" 1
812 1 51 PRO HB3 1 51 PRO HD2 2.123 . 2.686 2.905 2.904 2.908 0.222 10 0 "[ . 1 . 2]" 1
813 1 51 PRO HB3 1 51 PRO HD3 3.038 . 4.192 4.052 4.020 4.066 . 0 0 "[ . 1 . 2]" 1
814 1 51 PRO HB3 1 52 GLU H 2.529 . 5.500 4.309 4.264 4.349 . 0 0 "[ . 1 . 2]" 1
815 1 51 PRO HD2 1 51 PRO HG3 2.335 . 3.016 3.006 2.999 3.009 . 0 0 "[ . 1 . 2]" 1
816 1 51 PRO HD2 1 52 GLU H 3.372 . 4.793 4.176 3.784 4.505 . 0 0 "[ . 1 . 2]" 1
817 1 51 PRO HD3 1 51 PRO HG3 2.100 . 2.651 2.334 2.324 2.340 . 0 0 "[ . 1 . 2]" 1
818 1 51 PRO HD3 1 52 GLU H 2.912 . 5.500 4.681 4.399 4.940 . 0 0 "[ . 1 . 2]" 1
819 1 52 GLU H 1 52 GLU HA 2.402 . 3.123 2.914 2.881 2.933 . 0 0 "[ . 1 . 2]" 1
820 1 52 GLU H 1 52 GLU HB2 2.639 . 3.510 3.036 2.701 3.593 0.083 6 0 "[ . 1 . 2]" 1
821 1 52 GLU H 1 52 GLU HB3 2.519 . 3.298 2.521 2.153 3.141 . 0 0 "[ . 1 . 2]" 1
822 1 52 GLU H 1 52 GLU HG2 2.457 . 5.500 3.745 1.783 4.719 . 0 0 "[ . 1 . 2]" 1
823 1 52 GLU H 1 53 VAL H 2.541 . 3.348 2.239 2.092 2.472 . 0 0 "[ . 1 . 2]" 1
824 1 52 GLU H 1 53 VAL MG1 2.994 . 4.114 3.862 3.721 3.944 . 0 0 "[ . 1 . 2]" 1
825 1 52 GLU H 1 54 ASN H 3.179 . 5.500 5.631 5.561 5.698 0.198 12 0 "[ . 1 . 2]" 1
826 1 52 GLU HA 1 52 GLU HB2 2.291 . 2.947 2.454 2.306 2.588 . 0 0 "[ . 1 . 2]" 1
827 1 52 GLU HA 1 52 GLU HB3 2.363 . 3.061 2.860 2.324 3.032 . 0 0 "[ . 1 . 2]" 1
828 1 52 GLU HA 1 52 GLU HG2 2.319 . 5.500 3.476 3.019 3.888 . 0 0 "[ . 1 . 2]" 1
829 1 52 GLU HA 1 53 VAL HA 1.793 . 5.500 4.549 4.521 4.615 . 0 0 "[ . 1 . 2]" 1
830 1 52 GLU HB2 1 53 VAL H 3.159 . 4.406 3.665 3.249 4.020 . 0 0 "[ . 1 . 2]" 1
831 1 52 GLU HB2 1 53 VAL MG1 2.724 . 5.500 4.119 3.328 4.551 . 0 0 "[ . 1 . 2]" 1
832 1 52 GLU HB3 1 52 GLU HG2 1.893 . 2.341 2.416 2.348 2.477 0.136 9 0 "[ . 1 . 2]" 1
833 1 52 GLU HB3 1 53 VAL H 2.430 . 3.168 2.518 2.139 3.241 0.073 1 0 "[ . 1 . 2]" 1
834 1 52 GLU HG2 1 53 VAL H 3.180 . 4.444 3.360 2.628 4.551 0.107 11 0 "[ . 1 . 2]" 1
835 1 52 GLU HG2 1 53 VAL MG1 2.568 . 3.392 3.220 1.712 4.123 0.731 11 1 "[ . 1+ . 2]" 1
836 1 53 VAL H 1 53 VAL HA 2.611 . 3.463 2.909 2.850 2.933 . 0 0 "[ . 1 . 2]" 1
837 1 53 VAL H 1 53 VAL MG1 2.345 . 3.033 2.201 1.986 2.461 . 0 0 "[ . 1 . 2]" 1
838 1 53 VAL H 1 54 ASN H 3.330 . 4.716 4.081 3.900 4.187 . 0 0 "[ . 1 . 2]" 1
839 1 53 VAL HA 1 53 VAL HB 2.791 . 3.765 2.402 2.356 2.442 . 0 0 "[ . 1 . 2]" 1
840 1 53 VAL HA 1 53 VAL MG1 1.994 . 5.500 3.207 3.188 3.221 . 0 0 "[ . 1 . 2]" 1
841 1 53 VAL HA 1 54 ASN H 2.146 . 2.721 2.064 2.043 2.097 . 0 0 "[ . 1 . 2]" 1
842 1 53 VAL HB 1 53 VAL MG1 1.940 . 2.410 2.123 2.119 2.128 . 0 0 "[ . 1 . 2]" 1
843 1 53 VAL HB 1 54 ASN H 3.056 . 4.223 3.787 3.623 3.938 . 0 0 "[ . 1 . 2]" 1
844 1 53 VAL MG1 1 54 ASN H 2.427 . 5.500 4.158 4.014 4.250 . 0 0 "[ . 1 . 2]" 1
845 1 53 VAL MG1 1 55 VAL MG1 1.768 . 5.500 2.421 2.209 2.634 . 0 0 "[ . 1 . 2]" 1
846 1 54 ASN H 1 54 ASN HA 2.869 . 3.898 2.792 2.752 2.850 . 0 0 "[ . 1 . 2]" 1
847 1 54 ASN H 1 54 ASN HB2 2.499 . 3.280 2.532 2.464 2.666 . 0 0 "[ . 1 . 2]" 1
848 1 54 ASN H 1 54 ASN HB3 2.614 . 3.468 2.545 2.396 2.629 . 0 0 "[ . 1 . 2]" 1
849 1 54 ASN H 1 55 VAL H 3.207 . 4.493 4.371 4.348 4.389 . 0 0 "[ . 1 . 2]" 1
850 1 54 ASN HA 1 54 ASN HB2 2.693 . 3.599 2.460 2.423 2.479 . 0 0 "[ . 1 . 2]" 1
851 1 54 ASN HA 1 54 ASN HB3 2.538 . 3.343 3.032 3.029 3.035 . 0 0 "[ . 1 . 2]" 1
852 1 54 ASN HA 1 55 VAL H 2.225 . 2.844 2.148 2.125 2.180 . 0 0 "[ . 1 . 2]" 1
853 1 54 ASN HA 1 55 VAL MG1 2.584 . 5.500 3.865 3.684 4.145 . 0 0 "[ . 1 . 2]" 1
854 1 54 ASN HA 1 55 VAL MG2 2.974 . 4.080 3.745 3.491 3.872 . 0 0 "[ . 1 . 2]" 1
855 1 54 ASN HA 1 56 ALA H 2.726 . 3.655 3.331 3.247 3.463 . 0 0 "[ . 1 . 2]" 1
856 1 54 ASN HB2 1 54 ASN HD21 2.892 . 3.937 2.942 2.861 2.986 . 0 0 "[ . 1 . 2]" 1
857 1 54 ASN HB2 1 54 ASN HD22 3.089 . 4.282 3.790 3.754 3.811 . 0 0 "[ . 1 . 2]" 1
858 1 54 ASN HB2 1 55 VAL H 3.380 . 4.808 4.412 4.348 4.446 . 0 0 "[ . 1 . 2]" 1
859 1 54 ASN HB3 1 54 ASN HD21 2.965 . 4.064 2.218 2.200 2.255 . 0 0 "[ . 1 . 2]" 1
860 1 54 ASN HB3 1 55 VAL H 3.334 . 4.723 4.385 4.353 4.426 . 0 0 "[ . 1 . 2]" 1
861 1 54 ASN HD21 1 56 ALA H 2.880 . 5.500 4.250 4.022 4.426 . 0 0 "[ . 1 . 2]" 1
862 1 54 ASN HD22 1 55 VAL H 3.010 . 5.500 5.460 5.394 5.519 0.019 13 0 "[ . 1 . 2]" 1
863 1 54 ASN HD22 1 56 ALA H 3.016 . 4.153 3.622 3.474 3.743 . 0 0 "[ . 1 . 2]" 1
864 1 54 ASN HD22 1 56 ALA MB 3.388 . 4.823 2.426 2.141 2.653 . 0 0 "[ . 1 . 2]" 1
865 1 55 VAL H 1 55 VAL MG1 2.612 . 3.465 2.497 2.376 2.795 . 0 0 "[ . 1 . 2]" 1
866 1 55 VAL H 1 55 VAL MG2 2.343 . 3.029 1.977 1.845 2.075 . 0 0 "[ . 1 . 2]" 1
867 1 55 VAL H 1 56 ALA H 2.173 . 2.763 2.479 2.342 2.566 . 0 0 "[ . 1 . 2]" 1
868 1 55 VAL HA 1 55 VAL HB 2.137 . 2.708 2.471 2.436 2.613 . 0 0 "[ . 1 . 2]" 1
869 1 55 VAL HA 1 55 VAL MG1 . . 2.635 2.337 2.205 2.392 . 0 0 "[ . 1 . 2]" 1
870 1 55 VAL HA 1 55 VAL MG2 2.668 . 5.500 3.204 3.183 3.211 . 0 0 "[ . 1 . 2]" 1
871 1 55 VAL HA 1 56 ALA H 2.729 . 3.660 3.193 3.127 3.295 . 0 0 "[ . 1 . 2]" 1
872 1 55 VAL HB 1 55 VAL MG1 2.225 . 2.679 2.134 2.126 2.142 . 0 0 "[ . 1 . 2]" 1
873 1 55 VAL HB 1 55 VAL MG2 2.314 . 2.811 2.126 2.117 2.129 . 0 0 "[ . 1 . 2]" 1
874 1 55 VAL HB 1 56 ALA H 3.435 . 4.910 4.339 4.091 4.403 . 0 0 "[ . 1 . 2]" 1
875 1 55 VAL HB 1 57 MET HB2 2.562 . 5.500 5.805 5.541 6.418 0.918 6 8 "[ * .+ * *** * -]" 1
876 1 55 VAL HB 1 82 ASN HB3 2.742 . 3.682 3.594 3.299 3.806 0.124 5 0 "[ . 1 . 2]" 1
877 1 55 VAL HB 1 92 GLN HG3 2.764 . 5.500 5.298 5.203 5.434 . 0 0 "[ . 1 . 2]" 1
878 1 55 VAL MG1 1 55 VAL MG2 1.964 . 5.500 2.079 2.052 2.089 . 0 0 "[ . 1 . 2]" 1
879 1 55 VAL MG1 1 56 ALA H 3.017 . 4.155 4.236 4.207 4.292 0.137 15 0 "[ . 1 . 2]" 1
880 1 55 VAL MG1 1 56 ALA MB 2.330 . 5.500 4.839 4.762 4.915 . 0 0 "[ . 1 . 2]" 1
881 1 55 VAL MG1 1 82 ASN HB3 2.959 . 5.500 4.095 3.461 4.568 . 0 0 "[ . 1 . 2]" 1
882 1 55 VAL MG2 1 56 ALA H 2.552 . 3.366 3.144 2.889 3.259 . 0 0 "[ . 1 . 2]" 1
883 1 56 ALA H 1 56 ALA HA 2.561 . 3.381 2.874 2.802 2.895 . 0 0 "[ . 1 . 2]" 1
884 1 56 ALA H 1 56 ALA MB 2.045 . 5.500 2.261 2.189 2.308 . 0 0 "[ . 1 . 2]" 1
885 1 56 ALA H 1 57 MET H 3.177 . 4.439 3.927 3.849 4.194 . 0 0 "[ . 1 . 2]" 1
886 1 56 ALA H 1 58 LEU MD2 2.976 . 5.500 4.870 4.756 5.023 . 0 0 "[ . 1 . 2]" 1
887 1 56 ALA H 1 58 LEU HG 3.755 . 5.517 6.004 5.869 6.151 0.634 20 10 "[ *** **1 *.*-* +]" 1
888 1 56 ALA HA 1 56 ALA MB 2.063 . 2.595 2.112 2.099 2.126 . 0 0 "[ . 1 . 2]" 1
889 1 56 ALA HA 1 57 MET H 2.088 . 2.633 2.301 2.169 2.348 . 0 0 "[ . 1 . 2]" 1
890 1 56 ALA HA 1 58 LEU MD1 2.343 . 5.500 3.687 3.664 3.720 . 0 0 "[ . 1 . 2]" 1
891 1 56 ALA MB 1 57 MET H 2.511 . 5.500 3.629 3.507 3.655 . 0 0 "[ . 1 . 2]" 1
892 1 56 ALA MB 1 58 LEU HA 2.733 . 5.500 4.532 4.410 4.723 . 0 0 "[ . 1 . 2]" 1
893 1 56 ALA MB 1 58 LEU HB2 2.598 . 5.500 5.013 4.933 5.133 . 0 0 "[ . 1 . 2]" 1
894 1 56 ALA MB 1 58 LEU HB3 2.501 . 5.500 5.143 5.050 5.210 . 0 0 "[ . 1 . 2]" 1
895 1 56 ALA MB 1 58 LEU MD2 2.400 . 5.500 1.982 1.876 2.193 . 0 0 "[ . 1 . 2]" 1
896 1 56 ALA MB 1 58 LEU HG 2.556 . 3.373 3.029 2.882 3.206 . 0 0 "[ . 1 . 2]" 1
897 1 56 ALA MB 1 75 MET HB2 2.358 . 5.500 3.583 3.192 4.029 . 0 0 "[ . 1 . 2]" 1
898 1 57 MET H 1 57 MET HA 2.611 . 3.463 2.766 2.733 2.781 . 0 0 "[ . 1 . 2]" 1
899 1 57 MET H 1 57 MET HB2 2.525 . 3.322 2.674 2.338 3.134 . 0 0 "[ . 1 . 2]" 1
900 1 57 MET H 1 57 MET HB3 2.576 . 5.500 2.880 2.330 3.647 . 0 0 "[ . 1 . 2]" 1
901 1 57 MET H 1 57 MET HG2 3.002 . 4.128 4.217 3.065 4.692 0.564 15 2 "[ .- 1 + 2]" 1
902 1 57 MET H 1 58 LEU H 3.121 . 4.338 3.932 3.768 4.023 . 0 0 "[ . 1 . 2]" 1
903 1 57 MET H 1 58 LEU MD2 2.732 . 3.665 3.687 3.635 3.725 0.060 11 0 "[ . 1 . 2]" 1
904 1 57 MET H 1 75 MET HB2 3.199 . 4.478 3.761 3.458 4.043 . 0 0 "[ . 1 . 2]" 1
905 1 57 MET H 1 76 GLN H 2.715 . 3.637 2.641 2.453 3.020 . 0 0 "[ . 1 . 2]" 1
906 1 57 MET H 1 77 LEU HA 3.493 . 5.500 4.654 3.478 4.953 . 0 0 "[ . 1 . 2]" 1
907 1 57 MET HA 1 58 LEU H 2.010 . 5.500 2.165 2.131 2.209 . 0 0 "[ . 1 . 2]" 1
908 1 57 MET HB2 1 57 MET HG2 2.435 . 3.176 2.724 2.417 3.010 . 0 0 "[ . 1 . 2]" 1
909 1 57 MET HB2 1 57 MET HG2 2.456 . 3.210 2.152 2.029 2.280 . 0 0 "[ . 1 . 2]" 1
910 1 57 MET HB2 1 58 LEU H 3.158 . 4.405 4.509 4.351 4.618 0.213 17 0 "[ . 1 . 2]" 1
911 1 57 MET HB3 1 57 MET HG2 2.449 . 3.199 2.640 2.342 3.009 . 0 0 "[ . 1 . 2]" 1
912 1 57 MET HG2 1 58 LEU H 3.337 . 5.500 4.464 3.916 5.413 . 0 0 "[ . 1 . 2]" 1
913 1 58 LEU H 1 58 LEU HB2 2.585 . 5.500 2.502 2.461 2.569 . 0 0 "[ . 1 . 2]" 1
914 1 58 LEU H 1 58 LEU MD1 2.858 . 5.500 3.755 3.667 3.835 . 0 0 "[ . 1 . 2]" 1
915 1 58 LEU H 1 58 LEU MD2 2.903 . 3.957 2.974 2.801 3.123 . 0 0 "[ . 1 . 2]" 1
916 1 58 LEU H 1 58 LEU HG 2.300 . 2.961 2.282 2.105 2.392 . 0 0 "[ . 1 . 2]" 1
917 1 58 LEU H 1 59 ILE H 3.333 . 4.722 4.458 4.374 4.511 . 0 0 "[ . 1 . 2]" 1
918 1 58 LEU H 1 60 THR H 3.686 . 5.384 5.268 5.123 5.396 0.012 18 0 "[ . 1 . 2]" 1
919 1 58 LEU HA 1 58 LEU HB2 2.428 . 3.165 3.011 3.004 3.014 . 0 0 "[ . 1 . 2]" 1
920 1 58 LEU HA 1 58 LEU MD2 2.373 . 3.077 1.939 1.843 2.022 . 0 0 "[ . 1 . 2]" 1
921 1 58 LEU HA 1 58 LEU HG 2.533 . 3.335 3.284 3.238 3.323 . 0 0 "[ . 1 . 2]" 1
922 1 58 LEU HA 1 59 ILE H 2.309 . 2.975 2.087 2.065 2.107 . 0 0 "[ . 1 . 2]" 1
923 1 58 LEU HA 1 59 ILE HA 2.792 . 3.766 3.777 3.509 3.949 0.183 5 0 "[ . 1 . 2]" 1
924 1 58 LEU HA 1 59 ILE HG12 2.786 . 3.756 3.666 3.584 3.761 0.005 16 0 "[ . 1 . 2]" 1
925 1 58 LEU HA 1 60 THR H 2.885 . 3.925 3.344 3.208 3.459 . 0 0 "[ . 1 . 2]" 1
926 1 58 LEU HA 1 75 MET HA 2.550 . 3.363 1.779 1.637 1.932 0.100 16 0 "[ . 1 . 2]" 1
927 1 58 LEU HA 1 76 GLN H 2.944 . 4.028 3.484 3.215 3.722 . 0 0 "[ . 1 . 2]" 1
928 1 58 LEU HB2 1 58 LEU MD1 2.611 . 3.123 2.414 2.378 2.447 . 0 0 "[ . 1 . 2]" 1
929 1 58 LEU HB2 1 58 LEU MD2 2.746 . 3.688 3.188 3.178 3.194 . 0 0 "[ . 1 . 2]" 1
930 1 58 LEU HB2 1 58 LEU MD2 2.060 . 2.590 2.401 2.103 2.579 . 0 0 "[ . 1 . 2]" 1
931 1 58 LEU HB2 1 60 THR H 2.566 . 3.389 2.911 2.788 3.018 . 0 0 "[ . 1 . 2]" 1
932 1 58 LEU HB2 1 59 ILE HG12 2.853 . 5.500 5.123 4.925 5.365 . 0 0 "[ . 1 . 2]" 1
933 1 58 LEU HB2 1 60 THR MG 2.686 . 5.500 5.491 5.181 5.895 0.395 1 0 "[ . 1 . 2]" 1
934 1 58 LEU HB2 1 61 PRO HA 2.807 . 3.792 2.342 1.766 2.859 0.056 16 0 "[ . 1 . 2]" 1
935 1 58 LEU HB2 1 61 PRO HB3 2.837 . 3.843 2.256 1.888 2.727 . 0 0 "[ . 1 . 2]" 1
936 1 58 LEU HB3 1 58 LEU MD1 2.623 . 3.483 2.286 2.250 2.327 . 0 0 "[ . 1 . 2]" 1
937 1 58 LEU HB3 1 58 LEU MD1 2.277 . 2.925 1.955 1.941 1.969 . 0 0 "[ . 1 . 2]" 1
938 1 58 LEU HB3 1 59 ILE H 3.215 . 4.507 3.359 3.223 3.513 . 0 0 "[ . 1 . 2]" 1
939 1 58 LEU HB3 1 60 THR H 3.374 . 4.797 2.634 2.520 2.746 . 0 0 "[ . 1 . 2]" 1
940 1 58 LEU HB3 1 62 ASN H 3.592 . 5.205 3.844 3.260 4.128 . 0 0 "[ . 1 . 2]" 1
941 1 58 LEU MD1 1 58 LEU MD2 2.208 . 2.546 2.088 2.072 2.097 . 0 0 "[ . 1 . 2]" 1
942 1 58 LEU MD1 1 60 THR H 2.891 . 3.935 3.734 3.670 3.789 . 0 0 "[ . 1 . 2]" 1
943 1 58 LEU MD1 1 61 PRO HA 2.868 . 3.896 2.099 1.808 2.536 0.032 18 0 "[ . 1 . 2]" 1
944 1 58 LEU MD1 1 62 ASN H 3.008 . 5.500 3.888 3.618 4.187 . 0 0 "[ . 1 . 2]" 1
945 1 58 LEU MD1 1 63 PRO HD2 2.643 . 5.500 3.961 3.438 4.419 . 0 0 "[ . 1 . 2]" 1
946 1 58 LEU MD1 1 63 PRO HD3 2.643 . 5.500 2.994 2.601 3.391 . 0 0 "[ . 1 . 2]" 1
947 1 58 LEU MD1 1 73 ILE MD 2.559 . 5.500 4.617 4.249 4.746 . 0 0 "[ . 1 . 2]" 1
948 1 58 LEU MD2 1 59 ILE H 2.717 . 3.640 2.331 2.232 2.497 . 0 0 "[ . 1 . 2]" 1
949 1 58 LEU MD2 1 60 THR H 3.045 . 4.204 3.670 3.540 3.753 . 0 0 "[ . 1 . 2]" 1
950 1 58 LEU MD2 1 63 PRO HD3 3.012 . 5.500 5.124 4.735 5.509 0.009 2 0 "[ . 1 . 2]" 1
951 1 58 LEU MD2 1 74 GLU H 3.746 . 5.500 4.134 3.924 4.435 . 0 0 "[ . 1 . 2]" 1
952 1 58 LEU MD2 1 75 MET HA 3.100 . 4.302 2.411 2.254 2.753 . 0 0 "[ . 1 . 2]" 1
953 1 58 LEU MD2 1 75 MET HB3 2.568 . 3.392 2.027 1.714 2.281 0.030 20 0 "[ . 1 . 2]" 1
954 1 58 LEU MD2 1 76 GLN H 2.884 . 5.500 3.558 3.420 3.709 . 0 0 "[ . 1 . 2]" 1
955 1 59 ILE H 1 59 ILE HA 2.914 . 3.975 2.847 2.827 2.873 . 0 0 "[ . 1 . 2]" 1
956 1 59 ILE H 1 59 ILE HB 2.576 . 3.406 2.722 2.674 2.773 . 0 0 "[ . 1 . 2]" 1
957 1 59 ILE H 1 59 ILE HG12 2.628 . 3.492 1.954 1.855 2.054 . 0 0 "[ . 1 . 2]" 1
958 1 59 ILE H 1 59 ILE MG 2.994 . 5.500 3.739 3.711 3.768 . 0 0 "[ . 1 . 2]" 1
959 1 59 ILE H 1 60 THR H 2.258 . 2.896 2.356 2.232 2.416 . 0 0 "[ . 1 . 2]" 1
960 1 59 ILE H 1 60 THR HA 3.720 . 5.449 5.057 4.988 5.110 . 0 0 "[ . 1 . 2]" 1
961 1 59 ILE H 1 74 GLU QB 3.185 . 4.453 2.860 2.678 3.161 . 0 0 "[ . 1 . 2]" 1
962 1 59 ILE H 1 75 MET HA 2.510 . 3.298 2.341 1.973 2.563 . 0 0 "[ . 1 . 2]" 1
963 1 59 ILE H 1 75 MET HB3 3.300 . 4.661 4.122 3.709 4.391 . 0 0 "[ . 1 . 2]" 1
964 1 59 ILE H 1 76 GLN H 3.128 . 4.351 4.117 3.752 4.283 . 0 0 "[ . 1 . 2]" 1
965 1 59 ILE H 1 76 GLN H 2.940 . 4.021 3.722 3.519 3.812 . 0 0 "[ . 1 . 2]" 1
966 1 59 ILE HA 1 59 ILE HB 2.710 . 3.628 3.002 2.987 3.018 . 0 0 "[ . 1 . 2]" 1
967 1 59 ILE HA 1 59 ILE MD 2.191 . 2.791 2.330 2.239 2.441 . 0 0 "[ . 1 . 2]" 1
968 1 59 ILE HA 1 59 ILE HG12 2.417 . 5.500 3.510 3.457 3.564 . 0 0 "[ . 1 . 2]" 1
969 1 59 ILE HA 1 59 ILE MG 2.219 . 2.835 2.233 2.201 2.270 . 0 0 "[ . 1 . 2]" 1
970 1 59 ILE HA 1 60 THR H 3.108 . 4.316 3.404 3.365 3.438 . 0 0 "[ . 1 . 2]" 1
971 1 59 ILE HB 1 59 ILE MG 2.158 . 2.740 1.949 1.937 1.961 . 0 0 "[ . 1 . 2]" 1
972 1 59 ILE HB 1 59 ILE MG 2.359 . 3.055 2.124 2.119 2.128 . 0 0 "[ . 1 . 2]" 1
973 1 59 ILE HB 1 60 THR HG1 2.809 . 3.796 3.654 3.144 4.264 0.468 1 0 "[ . 1 . 2]" 1
974 1 59 ILE HB 1 74 GLU H 3.103 . 4.306 4.279 4.117 4.406 0.100 14 0 "[ . 1 . 2]" 1
975 1 59 ILE HB 1 74 GLU HB3 2.417 . 3.147 1.668 1.587 1.823 0.100 4 0 "[ . 1 . 2]" 1
976 1 59 ILE HB 1 75 MET H 3.202 . 4.484 4.284 4.009 4.492 0.008 6 0 "[ . 1 . 2]" 1
977 1 59 ILE MD 1 59 ILE HG12 2.265 . 3.005 2.126 2.122 2.129 . 0 0 "[ . 1 . 2]" 1
978 1 59 ILE MD 1 59 ILE HG13 2.823 . 3.819 2.120 2.118 2.124 . 0 0 "[ . 1 . 2]" 1
979 1 59 ILE MD 1 59 ILE MG 1.792 . 2.193 2.092 2.036 2.122 . 0 0 "[ . 1 . 2]" 1
980 1 59 ILE MD 1 75 MET HA 2.717 . 5.500 3.181 2.937 3.418 . 0 0 "[ . 1 . 2]" 1
981 1 59 ILE MD 1 76 GLN HB2 3.191 . 4.464 2.331 1.585 2.788 0.333 10 0 "[ . 1 . 2]" 1
982 1 59 ILE MD 1 76 GLN HB3 2.336 . 3.018 2.194 1.716 3.123 0.105 3 0 "[ . 1 . 2]" 1
983 1 59 ILE MD 1 76 GLN QG 2.593 . 5.500 3.307 2.893 3.501 . 0 0 "[ . 1 . 2]" 1
984 1 59 ILE HG12 1 59 ILE MG 2.053 . 5.500 3.188 3.174 3.198 . 0 0 "[ . 1 . 2]" 1
985 1 59 ILE HG12 1 74 GLU H 2.590 . 3.429 3.581 3.304 3.722 0.293 14 0 "[ . 1 . 2]" 1
986 1 59 ILE HG12 1 74 GLU HB3 2.588 . 3.425 2.353 2.039 2.766 . 0 0 "[ . 1 . 2]" 1
987 1 59 ILE HG12 1 75 MET H 3.664 . 5.342 2.706 2.518 2.987 . 0 0 "[ . 1 . 2]" 1
988 1 59 ILE HG12 1 75 MET HA 2.663 . 3.549 2.890 2.523 3.085 . 0 0 "[ . 1 . 2]" 1
989 1 59 ILE HG12 1 76 GLN H 3.128 . 4.351 4.120 3.807 4.362 0.011 16 0 "[ . 1 . 2]" 1
990 1 59 ILE HG13 1 74 GLU HB3 2.289 . 2.944 2.793 2.495 3.088 0.144 5 0 "[ . 1 . 2]" 1
991 1 59 ILE MG 1 74 GLU HB3 2.406 . 5.500 3.221 3.118 3.301 . 0 0 "[ . 1 . 2]" 1
992 1 60 THR H 1 60 THR HA 2.852 . 3.869 2.927 2.904 2.950 . 0 0 "[ . 1 . 2]" 1
993 1 60 THR H 1 60 THR HB 2.716 . 3.638 2.694 2.584 2.809 . 0 0 "[ . 1 . 2]" 1
994 1 60 THR H 1 61 PRO HG3 3.000 . 5.500 5.250 4.565 5.539 0.039 16 0 "[ . 1 . 2]" 1
995 1 60 THR H 1 73 ILE MG 3.707 . 5.424 4.339 3.786 4.731 . 0 0 "[ . 1 . 2]" 1
996 1 60 THR H 1 74 GLU H 2.886 . 3.927 3.372 3.067 3.618 . 0 0 "[ . 1 . 2]" 1
997 1 60 THR H 1 74 GLU HB3 2.961 . 5.500 3.514 3.246 3.756 . 0 0 "[ . 1 . 2]" 1
998 1 60 THR H 1 75 MET HA 3.187 . 4.456 4.227 3.910 4.478 0.022 8 0 "[ . 1 . 2]" 1
999 1 60 THR HA 1 61 PRO HD2 2.315 . 2.985 2.457 2.227 2.842 . 0 0 "[ . 1 . 2]" 1
1000 1 60 THR HA 1 61 PRO HD3 2.311 . 2.978 2.132 1.831 2.380 . 0 0 "[ . 1 . 2]" 1
1001 1 60 THR HA 1 62 ASN H 3.479 . 4.992 3.989 3.726 4.239 . 0 0 "[ . 1 . 2]" 1
1002 1 60 THR HB 1 60 THR MG 2.163 . 2.748 2.128 2.121 2.136 . 0 0 "[ . 1 . 2]" 1
1003 1 60 THR HB 1 62 ASN H 3.371 . 4.792 4.336 4.135 4.633 . 0 0 "[ . 1 . 2]" 1
1004 1 60 THR MG 1 61 PRO HD3 2.864 . 5.500 3.994 3.715 4.193 . 0 0 "[ . 1 . 2]" 1
1005 1 60 THR MG 1 63 PRO HA 3.095 . 4.292 3.570 2.925 4.044 . 0 0 "[ . 1 . 2]" 1
1006 1 60 THR MG 1 73 ILE HA 2.742 . 5.500 3.752 3.281 4.160 . 0 0 "[ . 1 . 2]" 1
1007 1 61 PRO HA 1 61 PRO HB2 2.429 . 3.167 2.699 2.659 2.832 . 0 0 "[ . 1 . 2]" 1
1008 1 61 PRO HA 1 61 PRO HB3 2.284 . 2.936 2.299 2.253 2.319 . 0 0 "[ . 1 . 2]" 1
1009 1 61 PRO HA 1 61 PRO HD2 2.961 . 4.057 4.003 3.870 4.063 0.006 15 0 "[ . 1 . 2]" 1
1010 1 61 PRO HA 1 61 PRO HD3 2.711 . 5.500 3.904 3.816 3.997 . 0 0 "[ . 1 . 2]" 1
1011 1 61 PRO HA 1 62 ASN H 2.205 . 2.813 2.854 2.731 2.977 0.164 18 0 "[ . 1 . 2]" 1
1012 1 61 PRO HB2 1 61 PRO HD2 3.416 . 4.875 3.796 3.228 3.987 . 0 0 "[ . 1 . 2]" 1
1013 1 61 PRO HB2 1 61 PRO HD3 3.069 . 4.247 4.043 3.995 4.096 . 0 0 "[ . 1 . 2]" 1
1014 1 61 PRO HB2 1 62 ASN H 2.949 . 4.036 4.133 3.939 4.204 0.168 11 0 "[ . 1 . 2]" 1
1015 1 61 PRO HB3 1 61 PRO HD3 3.307 . 4.674 3.377 3.122 3.934 . 0 0 "[ . 1 . 2]" 1
1016 1 61 PRO HB3 1 62 ASN H 2.970 . 5.500 4.657 4.619 4.689 . 0 0 "[ . 1 . 2]" 1
1017 1 61 PRO HD2 1 61 PRO HG2 2.519 . 3.312 2.272 2.257 2.304 . 0 0 "[ . 1 . 2]" 1
1018 1 61 PRO HD2 1 61 PRO HG3 2.509 . 3.296 2.842 2.775 2.983 . 0 0 "[ . 1 . 2]" 1
1019 1 61 PRO HD2 1 62 ASN H 3.318 . 4.694 3.602 3.184 3.955 . 0 0 "[ . 1 . 2]" 1
1020 1 61 PRO HD3 1 61 PRO HG2 2.705 . 3.620 2.883 2.706 2.954 . 0 0 "[ . 1 . 2]" 1
1021 1 61 PRO HD3 1 61 PRO HG3 2.488 . 3.262 2.273 2.257 2.303 . 0 0 "[ . 1 . 2]" 1
1022 1 61 PRO HD3 1 62 ASN H 3.564 . 5.151 4.437 4.026 4.692 . 0 0 "[ . 1 . 2]" 1
1023 1 61 PRO HG2 1 62 ASN H 3.292 . 4.647 4.220 4.020 4.627 . 0 0 "[ . 1 . 2]" 1
1024 1 62 ASN H 1 62 ASN HA 2.239 . 2.865 2.857 2.791 2.904 0.039 5 0 "[ . 1 . 2]" 1
1025 1 62 ASN H 1 62 ASN HB2 2.880 . 3.917 3.509 2.778 3.975 0.058 6 0 "[ . 1 . 2]" 1
1026 1 62 ASN H 1 62 ASN HB3 2.803 . 3.785 3.406 2.997 3.811 0.026 5 0 "[ . 1 . 2]" 1
1027 1 62 ASN H 1 63 PRO HD2 2.793 . 3.768 3.765 3.594 3.840 0.072 3 0 "[ . 1 . 2]" 1
1028 1 62 ASN H 1 63 PRO HD3 2.725 . 3.653 2.392 2.099 2.565 . 0 0 "[ . 1 . 2]" 1
1029 1 62 ASN HA 1 62 ASN HB2 2.505 . 3.289 2.601 2.488 3.002 . 0 0 "[ . 1 . 2]" 1
1030 1 62 ASN HA 1 62 ASN HB3 2.525 . 3.322 2.737 2.338 3.032 . 0 0 "[ . 1 . 2]" 1
1031 1 62 ASN HA 1 63 PRO HA 2.387 . 5.500 4.626 4.576 4.697 . 0 0 "[ . 1 . 2]" 1
1032 1 62 ASN HA 1 63 PRO HD2 2.402 . 3.123 2.533 2.331 2.910 . 0 0 "[ . 1 . 2]" 1
1033 1 62 ASN HA 1 63 PRO HD3 2.616 . 3.471 2.716 2.436 2.902 . 0 0 "[ . 1 . 2]" 1
1034 1 62 ASN HB2 1 62 ASN HD22 2.973 . 4.078 3.803 3.477 4.061 . 0 0 "[ . 1 . 2]" 1
1035 1 62 ASN HB3 1 62 ASN HD22 2.925 . 3.994 3.687 3.468 4.090 0.096 13 0 "[ . 1 . 2]" 1
1036 1 63 PRO HA 1 63 PRO HB2 2.306 . 2.971 2.698 2.655 2.936 . 0 0 "[ . 1 . 2]" 1
1037 1 63 PRO HA 1 63 PRO HB3 2.561 . 3.381 2.297 2.250 2.316 . 0 0 "[ . 1 . 2]" 1
1038 1 63 PRO HA 1 63 PRO HD3 3.336 . 4.727 3.874 3.796 3.967 . 0 0 "[ . 1 . 2]" 1
1039 1 63 PRO HA 1 63 PRO HG3 3.043 . 4.201 3.932 3.156 4.038 . 0 0 "[ . 1 . 2]" 1
1040 1 63 PRO HA 1 64 THR H 2.039 . 2.558 2.139 2.109 2.194 . 0 0 "[ . 1 . 2]" 1
1041 1 63 PRO HA 1 64 THR HG1 2.009 . 5.500 4.524 3.873 5.361 . 0 0 "[ . 1 . 2]" 1
1042 1 63 PRO HA 1 73 ILE MG 3.014 . 4.150 3.760 3.026 4.018 . 0 0 "[ . 1 . 2]" 1
1043 1 63 PRO HB2 1 63 PRO HG2 2.361 . 3.058 2.293 2.256 2.313 . 0 0 "[ . 1 . 2]" 1
1044 1 63 PRO HB2 1 63 PRO HG3 2.691 . 3.596 2.736 2.680 2.987 . 0 0 "[ . 1 . 2]" 1
1045 1 63 PRO HB2 1 64 THR H 2.890 . 3.934 3.520 3.133 4.171 0.237 20 0 "[ . 1 . 2]" 1
1046 1 63 PRO HB2 1 73 ILE MD 2.776 . 5.500 3.170 2.213 3.756 . 0 0 "[ . 1 . 2]" 1
1047 1 63 PRO HB3 1 63 PRO HG3 2.499 . 3.279 2.296 2.260 2.317 . 0 0 "[ . 1 . 2]" 1
1048 1 63 PRO HB3 1 64 THR H 3.187 . 4.457 3.990 3.586 4.276 . 0 0 "[ . 1 . 2]" 1
1049 1 63 PRO HD2 1 63 PRO HG2 2.620 . 3.478 2.271 2.252 2.331 . 0 0 "[ . 1 . 2]" 1
1050 1 63 PRO HD2 1 63 PRO HG3 2.667 . 3.556 2.829 2.767 2.998 . 0 0 "[ . 1 . 2]" 1
1051 1 63 PRO HD2 1 73 ILE MD 2.734 . 5.500 4.282 4.028 4.709 . 0 0 "[ . 1 . 2]" 1
1052 1 63 PRO HD3 1 63 PRO HG2 2.934 . 4.010 2.891 2.658 2.946 . 0 0 "[ . 1 . 2]" 1
1053 1 63 PRO HD3 1 63 PRO HG3 2.600 . 3.445 2.268 2.254 2.329 . 0 0 "[ . 1 . 2]" 1
1054 1 63 PRO HG2 1 73 ILE MG 2.889 . 3.814 3.367 2.970 3.682 . 0 0 "[ . 1 . 2]" 1
1055 1 63 PRO HG3 1 64 THR H 3.761 . 5.529 5.575 5.262 5.751 0.222 8 0 "[ . 1 . 2]" 1
1056 1 63 PRO HG3 1 73 ILE MD 2.690 . 3.595 2.203 1.891 2.707 . 0 0 "[ . 1 . 2]" 1
1057 1 63 PRO HG3 1 73 ILE MG 2.728 . 3.658 2.234 1.919 2.738 . 0 0 "[ . 1 . 2]" 1
1058 1 64 THR H 1 64 THR HA 2.957 . 4.050 2.942 2.935 2.948 . 0 0 "[ . 1 . 2]" 1
1059 1 64 THR H 1 64 THR HB 2.810 . 3.797 3.693 3.614 3.784 . 0 0 "[ . 1 . 2]" 1
1060 1 64 THR H 1 64 THR MG 2.842 . 5.500 3.132 2.899 3.382 . 0 0 "[ . 1 . 2]" 1
1061 1 64 THR H 1 65 MET H 3.311 . 4.682 4.427 4.340 4.508 . 0 0 "[ . 1 . 2]" 1
1062 1 64 THR HA 1 64 THR HB 2.648 . 3.524 2.574 2.495 2.648 . 0 0 "[ . 1 . 2]" 1
1063 1 64 THR HA 1 64 THR MG 2.162 . 2.746 2.279 2.216 2.359 . 0 0 "[ . 1 . 2]" 1
1064 1 64 THR HA 1 65 MET H 2.296 . 2.955 2.266 2.183 2.338 . 0 0 "[ . 1 . 2]" 1
1065 1 64 THR HB 1 64 THR HG1 2.086 . 2.630 2.383 2.106 2.738 0.108 9 0 "[ . 1 . 2]" 1
1066 1 64 THR HB 1 64 THR MG 2.284 . 2.936 2.130 2.124 2.135 . 0 0 "[ . 1 . 2]" 1
1067 1 64 THR HB 1 65 MET H 2.587 . 3.423 2.954 2.627 3.184 . 0 0 "[ . 1 . 2]" 1
1068 1 64 THR MG 1 65 MET H 2.655 . 5.500 3.622 3.369 3.881 . 0 0 "[ . 1 . 2]" 1
1069 1 65 MET H 1 65 MET HA 2.801 . 3.782 2.924 2.918 2.937 . 0 0 "[ . 1 . 2]" 1
1070 1 65 MET H 1 65 MET QB 3.263 . 4.594 2.612 2.438 2.980 . 0 0 "[ . 1 . 2]" 1
1071 1 65 MET H 1 65 MET HG2 2.743 . 3.683 3.326 2.257 3.852 0.169 12 0 "[ . 1 . 2]" 1
1072 1 65 MET H 1 66 GLU H 3.316 . 4.690 4.337 4.155 4.514 . 0 0 "[ . 1 . 2]" 1
1073 1 65 MET HA 1 65 MET HG2 2.887 . 3.929 2.933 2.329 4.246 0.317 19 0 "[ . 1 . 2]" 1
1074 1 65 MET HA 1 66 GLU H 2.197 . 2.800 2.072 1.994 2.226 . 0 0 "[ . 1 . 2]" 1
1075 1 65 MET QB 1 65 MET HG2 2.389 . 3.102 2.359 2.134 2.472 . 0 0 "[ . 1 . 2]" 1
1076 1 65 MET QB 1 66 GLU H 3.285 . 4.634 3.144 2.659 3.454 . 0 0 "[ . 1 . 2]" 1
1077 1 65 MET QB 1 66 GLU HB2 2.082 . 5.500 5.213 4.906 5.360 . 0 0 "[ . 1 . 2]" 1
1078 1 65 MET QB 1 71 GLY H 3.191 . 5.500 4.986 4.106 5.371 . 0 0 "[ . 1 . 2]" 1
1079 1 66 GLU H 1 66 GLU HA 2.981 . 4.092 2.913 2.863 2.947 . 0 0 "[ . 1 . 2]" 1
1080 1 66 GLU H 1 66 GLU HB2 2.639 . 3.510 2.422 2.115 2.628 . 0 0 "[ . 1 . 2]" 1
1081 1 66 GLU H 1 66 GLU HB3 2.744 . 3.685 3.106 2.220 3.412 . 0 0 "[ . 1 . 2]" 1
1082 1 66 GLU H 1 66 GLU HG3 2.865 . 3.891 2.928 2.114 4.365 0.474 7 0 "[ . 1 . 2]" 1
1083 1 66 GLU H 1 69 GLY H 3.238 . 4.548 3.281 2.845 3.825 . 0 0 "[ . 1 . 2]" 1
1084 1 66 GLU H 1 69 GLY HA3 3.275 . 4.616 4.178 3.887 4.435 . 0 0 "[ . 1 . 2]" 1
1085 1 66 GLU H 1 71 GLY H 3.709 . 4.910 4.709 4.007 5.306 0.396 19 0 "[ . 1 . 2]" 1
1086 1 66 GLU HA 1 67 ASN H 3.523 . 5.075 2.719 2.606 2.797 . 0 0 "[ . 1 . 2]" 1
1087 1 66 GLU HA 1 69 GLY H 3.332 . 4.720 4.475 4.326 4.722 0.002 10 0 "[ . 1 . 2]" 1
1088 1 66 GLU HB2 1 66 GLU HG2 2.442 . 3.188 2.859 2.407 3.008 . 0 0 "[ . 1 . 2]" 1
1089 1 66 GLU HB2 1 66 GLU HG3 2.626 . 3.488 2.424 2.265 2.571 . 0 0 "[ . 1 . 2]" 1
1090 1 66 GLU HB2 1 69 GLY H 3.111 . 4.321 3.603 2.965 4.401 0.080 7 0 "[ . 1 . 2]" 1
1091 1 66 GLU HB3 1 66 GLU HG2 2.032 . 2.548 2.593 2.322 3.010 0.462 6 0 "[ . 1 . 2]" 1
1092 1 66 GLU HB3 1 66 GLU HG3 2.446 . 3.194 2.861 2.404 3.013 . 0 0 "[ . 1 . 2]" 1
1093 1 66 GLU HB3 1 68 ASN H 3.552 . 5.129 3.056 2.159 3.646 . 0 0 "[ . 1 . 2]" 1
1094 1 66 GLU HB3 1 69 GLY H 3.385 . 4.818 4.435 3.601 4.818 . 0 0 "[ . 1 . 2]" 1
1095 1 66 GLU HG2 1 67 ASN H 3.587 . 5.195 4.099 3.722 4.615 . 0 0 "[ . 1 . 2]" 1
1096 1 67 ASN H 1 67 ASN HB2 3.025 . 4.169 3.595 3.570 3.619 . 0 0 "[ . 1 . 2]" 1
1097 1 67 ASN HA 1 67 ASN HB2 2.072 . 2.609 2.481 2.372 2.561 . 0 0 "[ . 1 . 2]" 1
1098 1 67 ASN HA 1 68 ASN H 3.547 . 5.119 3.400 3.287 3.537 . 0 0 "[ . 1 . 2]" 1
1099 1 67 ASN HB2 1 67 ASN HD21 2.836 . 3.841 3.123 2.875 3.524 . 0 0 "[ . 1 . 2]" 1
1100 1 67 ASN HB2 1 67 ASN HD22 2.984 . 4.097 3.883 3.760 4.083 . 0 0 "[ . 1 . 2]" 1
1101 1 67 ASN HB2 1 68 ASN H 3.192 . 4.466 4.125 4.005 4.321 . 0 0 "[ . 1 . 2]" 1
1102 1 67 ASN HD21 1 68 ASN HD21 3.008 . 4.139 3.433 2.317 4.468 0.329 11 0 "[ . 1 . 2]" 1
1103 1 67 ASN HD21 1 69 GLY H 2.870 . 3.900 3.987 3.955 4.025 0.125 3 0 "[ . 1 . 2]" 1
1104 1 67 ASN HD22 1 68 ASN HD21 2.890 . 3.934 3.314 2.028 4.514 0.580 11 2 "[ . 1+ - . 2]" 1
1105 1 67 ASN HD22 1 69 GLY H 3.305 . 5.500 5.435 5.155 5.576 0.076 10 0 "[ . 1 . 2]" 1
1106 1 68 ASN H 1 68 ASN HB2 3.153 . 4.396 2.948 2.396 3.760 . 0 0 "[ . 1 . 2]" 1
1107 1 68 ASN H 1 69 GLY H 3.223 . 4.521 2.198 1.997 2.379 . 0 0 "[ . 1 . 2]" 1
1108 1 68 ASN HA 1 69 GLY H 2.630 . 3.494 3.213 2.969 3.352 . 0 0 "[ . 1 . 2]" 1
1109 1 68 ASN HB2 1 68 ASN HD21 2.998 . 4.122 2.866 2.155 3.519 . 0 0 "[ . 1 . 2]" 1
1110 1 68 ASN HB2 1 68 ASN HD22 2.738 . 3.675 3.771 3.455 4.071 0.396 16 0 "[ . 1 . 2]" 1
1111 1 68 ASN HB2 1 69 GLY H 3.069 . 4.246 3.910 3.252 4.420 0.174 15 0 "[ . 1 . 2]" 1
1112 1 69 GLY H 1 69 GLY HA2 2.653 . 3.533 2.425 2.342 2.618 . 0 0 "[ . 1 . 2]" 1
1113 1 69 GLY H 1 69 GLY HA3 2.616 . 3.472 2.944 2.910 2.962 . 0 0 "[ . 1 . 2]" 1
1114 1 69 GLY H 1 70 GLY H 3.450 . 4.938 4.534 4.405 4.621 . 0 0 "[ . 1 . 2]" 1
1115 1 69 GLY H 1 70 GLY HA2 3.775 . 5.557 5.189 4.796 5.460 . 0 0 "[ . 1 . 2]" 1
1116 1 69 GLY HA2 1 70 GLY H 2.313 . 2.982 2.773 2.512 2.906 . 0 0 "[ . 1 . 2]" 1
1117 1 69 GLY HA3 1 70 GLY H 2.239 . 2.866 2.103 2.063 2.192 . 0 0 "[ . 1 . 2]" 1
1118 1 70 GLY H 1 70 GLY HA2 2.622 . 3.481 2.858 2.789 2.932 . 0 0 "[ . 1 . 2]" 1
1119 1 70 GLY H 1 71 GLY H 3.083 . 4.271 2.551 2.172 2.691 . 0 0 "[ . 1 . 2]" 1
1120 1 70 GLY HA2 1 71 GLY H 2.569 . 3.394 3.382 3.230 3.506 0.112 3 0 "[ . 1 . 2]" 1
1121 1 70 GLY HA2 1 71 GLY HA2 2.632 . 5.500 5.199 5.128 5.254 . 0 0 "[ . 1 . 2]" 1
1122 1 70 GLY HA3 1 71 GLY H 2.470 . 3.232 3.100 2.839 3.267 0.035 1 0 "[ . 1 . 2]" 1
1123 1 70 GLY HA3 1 71 GLY HA3 2.876 . 5.500 4.720 4.592 4.807 . 0 0 "[ . 1 . 2]" 1
1124 1 70 GLY HA3 1 72 PHE H 3.150 . 5.500 5.482 4.678 5.695 0.195 7 0 "[ . 1 . 2]" 1
1125 1 70 GLY HA3 1 73 ILE MD 3.214 . 5.500 3.693 3.392 4.079 . 0 0 "[ . 1 . 2]" 1
1126 1 71 GLY H 1 71 GLY HA2 2.713 . 3.633 2.299 2.289 2.331 . 0 0 "[ . 1 . 2]" 1
1127 1 71 GLY H 1 71 GLY HA3 2.576 . 3.406 2.840 2.775 2.899 . 0 0 "[ . 1 . 2]" 1
1128 1 71 GLY H 1 72 PHE H 2.370 . 5.500 4.443 4.097 4.522 . 0 0 "[ . 1 . 2]" 1
1129 1 71 GLY HA2 1 72 PHE H 3.011 . 4.145 3.265 3.157 3.466 . 0 0 "[ . 1 . 2]" 1
1130 1 71 GLY HA3 1 72 PHE H 2.947 . 4.032 2.142 2.116 2.232 . 0 0 "[ . 1 . 2]" 1
1131 1 72 PHE H 1 72 PHE HA 2.663 . 3.549 2.933 2.858 2.949 . 0 0 "[ . 1 . 2]" 1
1132 1 72 PHE H 1 72 PHE HB2 2.116 . 5.500 3.143 2.367 3.967 . 0 0 "[ . 1 . 2]" 1
1133 1 72 PHE H 1 73 ILE H 3.041 . 5.500 4.379 4.166 4.503 . 0 0 "[ . 1 . 2]" 1
1134 1 72 PHE HA 1 72 PHE HB2 2.333 . 3.014 2.752 2.452 3.023 0.009 2 0 "[ . 1 . 2]" 1
1135 1 72 PHE HA 1 73 ILE H 2.207 . 2.816 2.160 2.088 2.254 . 0 0 "[ . 1 . 2]" 1
1136 1 72 PHE HA 1 73 ILE MD 2.632 . 5.500 4.454 4.273 4.592 . 0 0 "[ . 1 . 2]" 1
1137 1 72 PHE HB2 1 73 ILE H 2.951 . 4.040 3.565 2.702 4.402 0.362 12 0 "[ . 1 . 2]" 1
1138 1 72 PHE HB2 1 73 ILE MD 2.174 . 5.500 5.481 5.199 5.904 0.404 9 0 "[ . 1 . 2]" 1
1139 1 72 PHE HB2 1 74 GLU HG3 2.989 . 5.500 4.820 4.059 5.829 0.329 11 0 "[ . 1 . 2]" 1
1140 1 73 ILE H 1 73 ILE HA 2.966 . 4.066 2.950 2.926 2.961 . 0 0 "[ . 1 . 2]" 1
1141 1 73 ILE H 1 73 ILE HB 2.750 . 3.696 2.759 2.620 2.887 . 0 0 "[ . 1 . 2]" 1
1142 1 73 ILE H 1 73 ILE MD 2.762 . 5.500 3.434 3.249 3.560 . 0 0 "[ . 1 . 2]" 1
1143 1 73 ILE H 1 73 ILE HG13 2.831 . 3.832 2.240 1.856 2.480 . 0 0 "[ . 1 . 2]" 1
1144 1 73 ILE H 1 74 GLU H 3.269 . 4.605 4.445 4.329 4.554 . 0 0 "[ . 1 . 2]" 1
1145 1 73 ILE HA 1 73 ILE MD 3.025 . 5.500 3.948 3.864 4.017 . 0 0 "[ . 1 . 2]" 1
1146 1 73 ILE HA 1 73 ILE MG 2.202 . 2.808 2.150 2.080 2.196 . 0 0 "[ . 1 . 2]" 1
1147 1 73 ILE HA 1 74 GLU H 2.273 . 2.919 2.338 2.186 2.509 . 0 0 "[ . 1 . 2]" 1
1148 1 73 ILE HB 1 73 ILE HG13 2.605 . 3.394 2.461 2.371 2.517 . 0 0 "[ . 1 . 2]" 1
1149 1 73 ILE HB 1 73 ILE MG 2.208 . 5.500 2.127 2.122 2.131 . 0 0 "[ . 1 . 2]" 1
1150 1 73 ILE MD 1 73 ILE HG12 2.496 . 3.275 2.110 2.074 2.120 . 0 0 "[ . 1 . 2]" 1
1151 1 73 ILE MD 1 73 ILE HG13 1.904 . 5.500 2.113 2.072 2.121 . 0 0 "[ . 1 . 2]" 1
1152 1 73 ILE MD 1 73 ILE MG 1.255 . 5.500 1.861 1.781 1.963 . 0 0 "[ . 1 . 2]" 1
1153 1 73 ILE MD 1 86 VAL MG2 2.658 . 5.500 3.114 2.405 4.145 . 0 0 "[ . 1 . 2]" 1
1154 1 73 ILE HG13 1 73 ILE MG 2.126 . 5.500 3.195 3.186 3.207 . 0 0 "[ . 1 . 2]" 1
1155 1 73 ILE MG 1 74 GLU H 2.516 . 3.307 2.251 1.804 2.748 . 0 0 "[ . 1 . 2]" 1
1156 1 74 GLU H 1 74 GLU HA 3.000 . 4.125 2.938 2.930 2.946 . 0 0 "[ . 1 . 2]" 1
1157 1 74 GLU H 1 74 GLU HB2 2.719 . 3.643 2.606 2.436 2.772 . 0 0 "[ . 1 . 2]" 1
1158 1 74 GLU H 1 75 MET H 3.462 . 4.960 4.392 4.312 4.457 . 0 0 "[ . 1 . 2]" 1
1159 1 74 GLU HA 1 74 GLU HB3 2.078 . 2.618 2.484 2.434 2.566 . 0 0 "[ . 1 . 2]" 1
1160 1 74 GLU HA 1 74 GLU HG3 2.741 . 3.680 3.064 2.344 3.284 . 0 0 "[ . 1 . 2]" 1
1161 1 74 GLU HA 1 75 MET H 2.247 . 2.878 2.151 2.100 2.210 . 0 0 "[ . 1 . 2]" 1
1162 1 74 GLU QB 1 74 GLU HG2 2.148 . 2.725 2.347 2.147 2.426 . 0 0 "[ . 1 . 2]" 1
1163 1 74 GLU HB2 1 75 MET H 2.673 . 3.566 3.713 3.582 3.954 0.388 10 0 "[ . 1 . 2]" 1
1164 1 74 GLU HG3 1 75 MET H 2.932 . 5.500 4.945 3.886 5.186 . 0 0 "[ . 1 . 2]" 1
1165 1 75 MET H 1 75 MET HB2 3.135 . 4.363 3.920 3.846 3.993 . 0 0 "[ . 1 . 2]" 1
1166 1 75 MET H 1 75 MET HG2 2.733 . 5.500 3.419 2.418 4.034 . 0 0 "[ . 1 . 2]" 1
1167 1 75 MET H 1 75 MET HG3 2.941 . 4.022 3.160 2.338 4.156 0.134 12 0 "[ . 1 . 2]" 1
1168 1 75 MET HA 1 75 MET HB2 2.482 . 3.252 2.483 2.367 2.657 . 0 0 "[ . 1 . 2]" 1
1169 1 75 MET HA 1 75 MET HB3 2.621 . 3.480 2.462 2.305 2.587 . 0 0 "[ . 1 . 2]" 1
1170 1 75 MET HA 1 75 MET HG2 3.257 . 4.583 3.689 3.378 3.938 . 0 0 "[ . 1 . 2]" 1
1171 1 75 MET HA 1 76 GLN H 2.263 . 2.903 2.377 2.299 2.477 . 0 0 "[ . 1 . 2]" 1
1172 1 75 MET HB2 1 75 MET HG2 2.631 . 3.238 2.588 2.443 2.979 . 0 0 "[ . 1 . 2]" 1
1173 1 75 MET HB2 1 75 MET HG3 2.398 . 3.117 2.673 2.283 3.004 . 0 0 "[ . 1 . 2]" 1
1174 1 75 MET HB2 1 76 GLN H 2.541 . 3.348 2.737 2.486 2.855 . 0 0 "[ . 1 . 2]" 1
1175 1 75 MET HB2 1 84 ILE HG12 2.683 . 3.583 3.762 3.690 3.820 0.237 17 0 "[ . 1 . 2]" 1
1176 1 75 MET HB3 1 75 MET HG2 2.789 . 3.762 2.581 2.249 2.998 . 0 0 "[ . 1 . 2]" 1
1177 1 75 MET HB3 1 75 MET HG3 2.312 . 2.980 2.595 2.465 2.982 0.002 20 0 "[ . 1 . 2]" 1
1178 1 75 MET HG3 1 76 GLN H 3.418 . 4.878 4.570 4.122 4.951 0.073 13 0 "[ . 1 . 2]" 1
1179 1 76 GLN H 1 76 GLN HA 2.756 . 3.706 2.814 2.768 2.850 . 0 0 "[ . 1 . 2]" 1
1180 1 76 GLN H 1 76 GLN HB2 2.492 . 3.269 3.416 3.003 3.679 0.410 16 0 "[ . 1 . 2]" 1
1181 1 76 GLN H 1 76 GLN HB3 2.610 . 3.461 3.312 3.012 3.698 0.237 3 0 "[ . 1 . 2]" 1
1182 1 76 GLN H 1 76 GLN QG 3.165 . 5.500 4.301 4.114 4.429 . 0 0 "[ . 1 . 2]" 1
1183 1 76 GLN H 1 77 LEU H 3.222 . 4.520 4.258 4.123 4.340 . 0 0 "[ . 1 . 2]" 1
1184 1 76 GLN HA 1 76 GLN HB2 2.654 . 3.535 2.564 2.359 2.898 . 0 0 "[ . 1 . 2]" 1
1185 1 76 GLN HA 1 76 GLN HB3 2.710 . 3.628 2.968 2.794 3.035 . 0 0 "[ . 1 . 2]" 1
1186 1 76 GLN HA 1 76 GLN QG 2.665 . 3.553 2.863 2.335 3.152 . 0 0 "[ . 1 . 2]" 1
1187 1 76 GLN HA 1 77 LEU H 2.103 . 2.656 2.303 2.186 2.440 . 0 0 "[ . 1 . 2]" 1
1188 1 76 GLN HA 1 95 GLN HB3 2.753 . 5.500 5.354 4.513 5.572 0.072 4 0 "[ . 1 . 2]" 1
1189 1 76 GLN HB2 1 76 GLN HE22 3.483 . 4.999 4.378 3.826 5.095 0.096 19 0 "[ . 1 . 2]" 1
1190 1 76 GLN HB2 1 76 GLN QG 2.172 . 5.500 2.281 2.156 2.362 . 0 0 "[ . 1 . 2]" 1
1191 1 76 GLN HB2 1 77 LEU H 2.877 . 5.500 3.905 3.703 4.165 . 0 0 "[ . 1 . 2]" 1
1192 1 76 GLN HB2 1 95 GLN QG 2.168 . 5.500 5.545 5.025 6.087 0.587 7 3 "[* - . + 1 . 2]" 1
1193 1 76 GLN HB3 1 76 GLN QG 2.545 . 3.310 2.216 2.153 2.371 . 0 0 "[ . 1 . 2]" 1
1194 1 76 GLN HB3 1 77 LEU H 3.210 . 4.498 3.484 2.593 4.059 . 0 0 "[ . 1 . 2]" 1
1195 1 76 GLN HE21 1 76 GLN QG 2.632 . 3.498 2.510 2.181 2.842 . 0 0 "[ . 1 . 2]" 1
1196 1 76 GLN HE21 1 82 ASN HD21 3.348 . 5.500 5.465 4.364 6.485 0.985 11 2 "[ . 1+ - . 2]" 1
1197 1 76 GLN HE22 1 76 GLN QG 2.791 . 3.765 3.397 3.284 3.511 . 0 0 "[ . 1 . 2]" 1
1198 1 76 GLN HE22 1 80 GLY H 3.581 . 5.500 5.098 4.646 5.495 . 0 0 "[ . 1 . 2]" 1
1199 1 76 GLN HE22 1 82 ASN H 3.210 . 5.500 5.562 5.069 5.777 0.277 7 0 "[ . 1 . 2]" 1
1200 1 76 GLN HE22 1 82 ASN HB2 3.124 . 4.344 4.236 3.719 4.424 0.080 4 0 "[ . 1 . 2]" 1
1201 1 76 GLN HE22 1 82 ASN HB3 3.019 . 5.500 5.247 4.622 5.598 0.098 5 0 "[ . 1 . 2]" 1
1202 1 76 GLN HE22 1 82 ASN HD21 3.178 . 5.500 5.058 3.713 6.134 0.634 13 2 "[ . 1- + . 2]" 1
1203 1 76 GLN HE22 1 93 TRP HE1 2.846 . 5.500 4.861 3.444 5.693 0.193 19 0 "[ . 1 . 2]" 1
1204 1 76 GLN HE22 1 95 GLN H 2.988 . 5.500 4.971 4.587 5.187 . 0 0 "[ . 1 . 2]" 1
1205 1 76 GLN HE22 1 95 GLN HB3 3.472 . 4.979 2.957 1.941 3.640 0.024 5 0 "[ . 1 . 2]" 1
1206 1 76 GLN QG 1 77 LEU H 2.719 . 3.643 2.716 1.961 3.687 0.044 3 0 "[ . 1 . 2]" 1
1207 1 77 LEU H 1 77 LEU HA 2.711 . 3.630 2.872 2.812 2.928 . 0 0 "[ . 1 . 2]" 1
1208 1 79 PRO HA 1 79 PRO HB2 2.496 . 2.754 2.920 2.796 2.999 0.245 18 0 "[ . 1 . 2]" 1
1209 1 79 PRO HA 1 79 PRO HB3 2.426 . 3.161 2.273 2.243 2.326 . 0 0 "[ . 1 . 2]" 1
1210 1 79 PRO HA 1 80 GLY H 2.281 . 2.931 2.102 2.060 2.185 . 0 0 "[ . 1 . 2]" 1
1211 1 79 PRO HA 1 80 GLY HA3 2.799 . 5.500 4.327 4.289 4.374 . 0 0 "[ . 1 . 2]" 1
1212 1 79 PRO HA 1 95 GLN H 3.317 . 5.500 4.554 4.223 4.806 . 0 0 "[ . 1 . 2]" 1
1213 1 79 PRO HA 1 95 GLN HB2 2.902 . 3.954 3.634 2.298 4.087 0.133 7 0 "[ . 1 . 2]" 1
1214 1 79 PRO HA 1 95 GLN HB3 3.231 . 5.500 5.060 3.730 5.510 0.010 2 0 "[ . 1 . 2]" 1
1215 1 79 PRO HA 1 95 GLN QG 2.606 . 5.500 4.076 3.512 4.682 . 0 0 "[ . 1 . 2]" 1
1216 1 79 PRO HB2 1 79 PRO HD2 3.080 . 4.266 3.706 3.036 4.050 . 0 0 "[ . 1 . 2]" 1
1217 1 79 PRO HB2 1 79 PRO HD3 3.071 . 4.250 3.879 3.855 3.914 . 0 0 "[ . 1 . 2]" 1
1218 1 79 PRO HB3 1 79 PRO HD2 3.069 . 4.247 3.994 3.901 4.068 . 0 0 "[ . 1 . 2]" 1
1219 1 79 PRO HB3 1 79 PRO HD3 3.121 . 4.338 3.396 2.951 4.017 . 0 0 "[ . 1 . 2]" 1
1220 1 79 PRO HB3 1 80 GLY H 2.806 . 3.790 3.480 3.209 3.710 . 0 0 "[ . 1 . 2]" 1
1221 1 79 PRO HD2 1 79 PRO HG2 2.821 . 3.816 2.302 2.255 2.327 . 0 0 "[ . 1 . 2]" 1
1222 1 79 PRO HD3 1 95 GLN HB2 2.981 . 5.500 5.489 5.060 5.601 0.101 6 0 "[ . 1 . 2]" 1
1223 1 80 GLY H 1 80 GLY HA3 2.560 . 3.379 2.878 2.823 2.949 . 0 0 "[ . 1 . 2]" 1
1224 1 80 GLY H 1 81 ASP H 3.181 . 4.446 4.250 4.016 4.449 0.003 16 0 "[ . 1 . 2]" 1
1225 1 80 GLY H 1 95 GLN H 2.737 . 3.610 3.091 2.790 3.346 . 0 0 "[ . 1 . 2]" 1
1226 1 80 GLY H 1 95 GLN QG 2.616 . 4.415 3.482 2.864 4.097 . 0 0 "[ . 1 . 2]" 1
1227 1 80 GLY HA2 1 81 ASP H 2.253 . 2.887 2.912 2.585 3.193 0.306 4 0 "[ . 1 . 2]" 1
1228 1 80 GLY HA3 1 81 ASP H 2.383 . 3.093 2.329 2.118 2.630 . 0 0 "[ . 1 . 2]" 1
1229 1 81 ASP H 1 81 ASP HA 2.713 . 3.633 2.922 2.846 2.965 . 0 0 "[ . 1 . 2]" 1
1230 1 81 ASP H 1 81 ASP QB 2.408 . 3.133 2.531 2.168 3.037 . 0 0 "[ . 1 . 2]" 1
1231 1 81 ASP H 1 82 ASN H 3.166 . 4.419 4.146 3.939 4.303 . 0 0 "[ . 1 . 2]" 1
1232 1 81 ASP HA 1 82 ASN H 2.163 . 2.748 2.214 2.057 2.267 . 0 0 "[ . 1 . 2]" 1
1233 1 81 ASP HA 1 95 GLN H 2.923 . 3.991 3.098 2.303 3.498 . 0 0 "[ . 1 . 2]" 1
1234 1 81 ASP QB 1 82 ASN H 2.936 . 4.014 3.615 3.447 3.683 . 0 0 "[ . 1 . 2]" 1
1235 1 81 ASP QB 1 82 ASN HD21 3.277 . 4.619 4.518 4.095 4.686 0.067 12 0 "[ . 1 . 2]" 1
1236 1 81 ASP QB 1 92 GLN HG2 2.926 . 3.996 3.262 2.643 4.264 0.268 20 0 "[ . 1 . 2]" 1
1237 1 81 ASP QB 1 94 PHE QB 1.629 . 5.500 4.017 2.447 5.055 . 0 0 "[ . 1 . 2]" 1
1238 1 82 ASN H 1 82 ASN HA 2.620 . 3.478 2.943 2.927 2.950 . 0 0 "[ . 1 . 2]" 1
1239 1 82 ASN H 1 82 ASN HB2 2.732 . 3.665 2.588 2.435 2.700 . 0 0 "[ . 1 . 2]" 1
1240 1 82 ASN H 1 82 ASN HB3 2.875 . 3.908 3.733 3.646 3.793 . 0 0 "[ . 1 . 2]" 1
1241 1 82 ASN H 1 83 ILE H 3.646 . 5.308 4.397 4.258 4.502 . 0 0 "[ . 1 . 2]" 1
1242 1 82 ASN H 1 83 ILE H 3.305 . 4.670 3.880 3.804 3.924 . 0 0 "[ . 1 . 2]" 1
1243 1 82 ASN H 1 93 TRP H 2.892 . 3.899 3.655 3.284 3.901 0.002 14 0 "[ . 1 . 2]" 1
1244 1 82 ASN H 1 95 GLN H 3.267 . 4.602 3.141 2.723 3.703 . 0 0 "[ . 1 . 2]" 1
1245 1 82 ASN HA 1 82 ASN HB2 2.463 . 3.221 3.029 3.020 3.039 . 0 0 "[ . 1 . 2]" 1
1246 1 82 ASN HA 1 82 ASN HB3 2.404 . 3.126 2.475 2.421 2.533 . 0 0 "[ . 1 . 2]" 1
1247 1 82 ASN HA 1 83 ILE H 2.277 . 2.925 2.230 2.055 2.611 . 0 0 "[ . 1 . 2]" 1
1248 1 82 ASN HA 1 83 ILE HB 3.174 . 5.500 4.852 4.545 4.996 . 0 0 "[ . 1 . 2]" 1
1249 1 82 ASN HA 1 95 GLN QG 2.226 . 5.500 4.504 4.259 4.993 . 0 0 "[ . 1 . 2]" 1
1250 1 82 ASN HB2 1 83 ILE H 2.998 . 4.122 3.971 3.273 4.290 0.168 3 0 "[ . 1 . 2]" 1
1251 1 82 ASN HB2 1 84 ILE HG13 3.406 . 5.500 5.236 4.788 5.639 0.139 12 0 "[ . 1 . 2]" 1
1252 1 82 ASN HB2 1 95 GLN QG 3.137 . 4.367 2.491 1.985 2.871 . 0 0 "[ . 1 . 2]" 1
1253 1 82 ASN HB3 1 83 ILE H 2.715 . 3.637 3.016 2.083 3.486 . 0 0 "[ . 1 . 2]" 1
1254 1 82 ASN HB3 1 95 GLN QG 2.680 . 5.500 3.814 3.381 4.222 . 0 0 "[ . 1 . 2]" 1
1255 1 83 ILE H 1 83 ILE HA 2.994 . 4.114 2.924 2.850 2.947 . 0 0 "[ . 1 . 2]" 1
1256 1 83 ILE H 1 83 ILE HB 2.700 . 3.611 3.496 3.317 3.723 0.112 7 0 "[ . 1 . 2]" 1
1257 1 83 ILE H 1 83 ILE MD 3.218 . 4.512 3.688 3.574 3.813 . 0 0 "[ . 1 . 2]" 1
1258 1 83 ILE H 1 83 ILE MG 3.005 . 4.134 2.150 1.985 2.478 . 0 0 "[ . 1 . 2]" 1
1259 1 83 ILE H 1 84 ILE HG13 2.755 . 5.500 4.854 4.503 5.162 . 0 0 "[ . 1 . 2]" 1
1260 1 83 ILE HA 1 83 ILE HB 2.731 . 3.664 2.293 2.267 2.322 . 0 0 "[ . 1 . 2]" 1
1261 1 83 ILE HA 1 83 ILE MD 2.460 . 5.500 3.569 3.504 3.620 . 0 0 "[ . 1 . 2]" 1
1262 1 83 ILE HA 1 83 ILE MG 2.929 . 4.002 3.133 3.114 3.150 . 0 0 "[ . 1 . 2]" 1
1263 1 83 ILE HA 1 84 ILE H 2.246 . 2.876 2.184 2.128 2.232 . 0 0 "[ . 1 . 2]" 1
1264 1 83 ILE HA 1 93 TRP H 2.896 . 3.944 2.975 2.748 3.195 . 0 0 "[ . 1 . 2]" 1
1265 1 83 ILE HB 1 83 ILE MD 2.323 . 5.500 3.207 3.195 3.218 . 0 0 "[ . 1 . 2]" 1
1266 1 83 ILE HB 1 83 ILE MG 2.162 . 2.746 2.077 2.072 2.081 . 0 0 "[ . 1 . 2]" 1
1267 1 83 ILE HB 1 84 ILE HG13 2.382 . 5.500 5.590 5.539 5.658 0.158 15 0 "[ . 1 . 2]" 1
1268 1 83 ILE HB 1 91 HIS H 2.989 . 5.500 4.273 4.038 4.566 . 0 0 "[ . 1 . 2]" 1
1269 1 83 ILE MD 1 83 ILE MG 2.063 . 2.595 1.908 1.856 1.950 . 0 0 "[ . 1 . 2]" 1
1270 1 83 ILE MD 1 84 ILE H 3.447 . 4.932 3.271 3.083 3.402 . 0 0 "[ . 1 . 2]" 1
1271 1 83 ILE MD 1 84 ILE HA 2.765 . 3.721 3.313 3.098 3.434 . 0 0 "[ . 1 . 2]" 1
1272 1 83 ILE MD 1 90 ASN HB3 2.534 . 5.500 3.074 2.950 3.318 . 0 0 "[ . 1 . 2]" 1
1273 1 83 ILE HG12 1 84 ILE H 2.430 . 3.168 2.253 2.133 2.352 . 0 0 "[ . 1 . 2]" 1
1274 1 83 ILE HG12 1 92 GLN HB3 2.568 . 5.500 5.320 4.888 5.651 0.151 15 0 "[ . 1 . 2]" 1
1275 1 83 ILE HG13 1 90 ASN HA 3.347 . 4.747 3.983 3.762 4.243 . 0 0 "[ . 1 . 2]" 1
1276 1 83 ILE MG 1 84 ILE H 2.522 . 5.500 4.178 4.090 4.235 . 0 0 "[ . 1 . 2]" 1
1277 1 83 ILE MG 1 90 ASN HB2 2.677 . 5.500 4.657 4.493 4.802 . 0 0 "[ . 1 . 2]" 1
1278 1 83 ILE MG 1 90 ASN HB3 2.484 . 5.500 5.802 5.651 5.990 0.490 19 0 "[ . 1 . 2]" 1
1279 1 83 ILE MG 1 91 HIS H 2.623 . 5.500 4.584 4.462 4.705 . 0 0 "[ . 1 . 2]" 1
1280 1 83 ILE MG 1 92 GLN HG2 3.012 . 5.500 3.178 2.074 3.802 . 0 0 "[ . 1 . 2]" 1
1281 1 83 ILE MG 1 92 GLN HG3 3.091 . 4.285 2.673 2.227 3.330 . 0 0 "[ . 1 . 2]" 1
1282 1 84 ILE H 1 84 ILE MD 3.012 . 4.146 3.518 3.358 3.631 . 0 0 "[ . 1 . 2]" 1
1283 1 84 ILE H 1 84 ILE MG 2.741 . 5.500 3.840 3.812 3.860 . 0 0 "[ . 1 . 2]" 1
1284 1 84 ILE H 1 85 TYR H 3.579 . 5.180 4.459 4.408 4.493 . 0 0 "[ . 1 . 2]" 1
1285 1 84 ILE H 1 92 GLN HA 2.977 . 4.085 3.943 3.713 4.116 0.031 3 0 "[ . 1 . 2]" 1
1286 1 84 ILE HA 1 84 ILE MG 2.331 . 3.010 2.325 2.254 2.365 . 0 0 "[ . 1 . 2]" 1
1287 1 84 ILE HA 1 85 TYR H 2.259 . 2.897 2.108 2.068 2.136 . 0 0 "[ . 1 . 2]" 1
1288 1 84 ILE HB 1 84 ILE MD 2.558 . 3.376 2.308 2.238 2.371 . 0 0 "[ . 1 . 2]" 1
1289 1 84 ILE HB 1 84 ILE MG 2.280 . 2.930 2.122 2.114 2.127 . 0 0 "[ . 1 . 2]" 1
1290 1 84 ILE HB 1 85 TYR H 3.276 . 4.618 4.029 3.931 4.153 . 0 0 "[ . 1 . 2]" 1
1291 1 84 ILE HB 1 86 VAL MG2 3.005 . 4.133 3.167 2.828 3.406 . 0 0 "[ . 1 . 2]" 1
1292 1 84 ILE MD 1 84 ILE HG13 3.044 . 4.202 2.120 2.115 2.125 . 0 0 "[ . 1 . 2]" 1
1293 1 84 ILE MD 1 84 ILE MG 1.944 . 3.768 2.076 1.980 2.214 . 0 0 "[ . 1 . 2]" 1
1294 1 84 ILE MD 1 93 TRP HB3 2.859 . 5.500 5.110 4.606 5.649 0.149 13 0 "[ . 1 . 2]" 1
1295 1 84 ILE MG 1 85 TYR H 2.448 . 3.197 2.580 2.461 2.746 . 0 0 "[ . 1 . 2]" 1
1296 1 84 ILE MG 1 85 TYR HA 3.249 . 4.568 3.807 3.728 3.910 . 0 0 "[ . 1 . 2]" 1
1297 1 84 ILE MG 1 86 VAL H 3.539 . 5.104 3.264 3.089 3.707 . 0 0 "[ . 1 . 2]" 1
1298 1 84 ILE MG 1 86 VAL HA 3.032 . 4.181 3.521 3.232 3.788 . 0 0 "[ . 1 . 2]" 1
1299 1 84 ILE MG 1 86 VAL MG2 2.681 . 3.580 2.181 2.015 2.466 . 0 0 "[ . 1 . 2]" 1
1300 1 84 ILE MG 1 89 LEU QB 2.142 . 5.500 4.690 4.405 4.894 . 0 0 "[ . 1 . 2]" 1
1301 1 85 TYR H 1 85 TYR HB2 2.808 . 3.794 2.358 2.242 2.559 . 0 0 "[ . 1 . 2]" 1
1302 1 85 TYR H 1 85 TYR HB3 3.062 . 4.234 3.236 2.952 3.451 . 0 0 "[ . 1 . 2]" 1
1303 1 85 TYR H 1 86 VAL H 3.458 . 4.953 3.938 3.842 4.165 . 0 0 "[ . 1 . 2]" 1
1304 1 85 TYR HA 1 85 TYR HB2 2.887 . 3.929 2.857 2.709 2.962 . 0 0 "[ . 1 . 2]" 1
1305 1 85 TYR HA 1 85 TYR HB3 2.659 . 3.543 2.848 2.718 2.962 . 0 0 "[ . 1 . 2]" 1
1306 1 85 TYR HA 1 86 VAL H 2.240 . 2.867 2.207 2.120 2.248 . 0 0 "[ . 1 . 2]" 1
1307 1 85 TYR HA 1 90 ASN HA 2.598 . 3.441 2.499 2.309 2.599 . 0 0 "[ . 1 . 2]" 1
1308 1 85 TYR HA 1 90 ASN HB2 3.151 . 4.392 3.967 3.602 4.323 . 0 0 "[ . 1 . 2]" 1
1309 1 85 TYR HA 1 90 ASN HB3 3.322 . 4.701 3.228 2.931 3.814 . 0 0 "[ . 1 . 2]" 1
1310 1 85 TYR HA 1 91 HIS H 3.253 . 4.576 4.161 3.885 4.323 . 0 0 "[ . 1 . 2]" 1
1311 1 85 TYR HB2 1 86 VAL H 3.385 . 4.817 4.625 4.556 4.656 . 0 0 "[ . 1 . 2]" 1
1312 1 85 TYR HB3 1 86 VAL H 3.045 . 4.204 4.091 3.832 4.195 . 0 0 "[ . 1 . 2]" 1
1313 1 85 TYR HE1 1 91 HIS H 3.393 . 5.500 5.577 5.536 5.605 0.105 15 0 "[ . 1 . 2]" 1
1314 1 86 VAL H 1 86 VAL HB 2.808 . 3.793 2.687 2.598 2.784 . 0 0 "[ . 1 . 2]" 1
1315 1 86 VAL H 1 86 VAL MG1 2.792 . 5.500 3.789 3.774 3.824 . 0 0 "[ . 1 . 2]" 1
1316 1 86 VAL H 1 86 VAL MG2 3.305 . 4.670 1.976 1.851 2.155 0.089 17 0 "[ . 1 . 2]" 1
1317 1 86 VAL H 1 87 GLY H 3.388 . 4.823 3.951 3.664 4.168 . 0 0 "[ . 1 . 2]" 1
1318 1 86 VAL H 1 89 LEU H 3.007 . 4.137 3.831 3.667 3.981 . 0 0 "[ . 1 . 2]" 1
1319 1 86 VAL H 1 89 LEU QB 3.315 . 4.688 2.577 2.360 2.753 . 0 0 "[ . 1 . 2]" 1
1320 1 86 VAL H 1 89 LEU MD2 3.632 . 5.281 4.138 3.923 4.344 . 0 0 "[ . 1 . 2]" 1
1321 1 86 VAL H 1 90 ASN HA 3.038 . 4.191 3.428 3.026 3.632 . 0 0 "[ . 1 . 2]" 1
1322 1 86 VAL HA 1 86 VAL MG1 2.018 . 2.527 2.320 2.240 2.361 . 0 0 "[ . 1 . 2]" 1
1323 1 86 VAL HA 1 86 VAL MG2 2.335 . 3.017 2.549 2.463 2.638 . 0 0 "[ . 1 . 2]" 1
1324 1 86 VAL HA 1 87 GLY H 2.261 . 2.900 2.299 2.218 2.421 . 0 0 "[ . 1 . 2]" 1
1325 1 86 VAL HA 1 89 LEU QB 2.973 . 5.500 4.118 3.886 4.429 . 0 0 "[ . 1 . 2]" 1
1326 1 86 VAL HB 1 86 VAL MG1 2.180 . 5.500 2.124 2.118 2.130 . 0 0 "[ . 1 . 2]" 1
1327 1 86 VAL HB 1 86 VAL MG2 2.165 . 5.500 2.127 2.123 2.131 . 0 0 "[ . 1 . 2]" 1
1328 1 86 VAL HB 1 89 LEU H 3.552 . 5.129 3.334 3.070 3.571 . 0 0 "[ . 1 . 2]" 1
1329 1 86 VAL HB 1 89 LEU QB 2.874 . 3.907 1.812 1.547 2.158 0.294 17 0 "[ . 1 . 2]" 1
1330 1 86 VAL MG1 1 86 VAL MG2 1.942 . 2.413 2.080 2.072 2.091 . 0 0 "[ . 1 . 2]" 1
1331 1 86 VAL MG1 1 87 GLY H 3.302 . 4.665 3.594 3.352 3.860 . 0 0 "[ . 1 . 2]" 1
1332 1 86 VAL MG1 1 87 GLY QA 2.615 . 5.500 3.770 3.566 3.960 . 0 0 "[ . 1 . 2]" 1
1333 1 86 VAL MG2 1 87 GLY H 2.836 . 5.500 4.369 4.320 4.402 . 0 0 "[ . 1 . 2]" 1
1334 1 86 VAL MG2 1 89 LEU MD1 2.063 . 5.500 4.385 4.084 4.763 . 0 0 "[ . 1 . 2]" 1
1335 1 87 GLY H 1 87 GLY QA 2.601 . 3.226 2.200 2.190 2.209 . 0 0 "[ . 1 . 2]" 1
1336 1 87 GLY H 1 88 ASP H 3.310 . 4.679 4.125 4.010 4.246 . 0 0 "[ . 1 . 2]" 1
1337 1 87 GLY H 1 89 LEU H 3.374 . 4.797 4.567 4.308 4.726 . 0 0 "[ . 1 . 2]" 1
1338 1 87 GLY QA 1 88 ASP H 2.722 . 3.648 2.236 2.172 2.311 . 0 0 "[ . 1 . 2]" 1
1339 1 87 GLY QA 1 89 LEU H 3.066 . 4.241 3.626 3.451 3.836 . 0 0 "[ . 1 . 2]" 1
1340 1 88 ASP H 1 88 ASP HA 2.700 . 3.612 2.945 2.933 2.952 . 0 0 "[ . 1 . 2]" 1
1341 1 88 ASP H 1 88 ASP HB2 2.800 . 3.780 2.788 2.425 2.981 . 0 0 "[ . 1 . 2]" 1
1342 1 88 ASP H 1 88 ASP HB3 2.618 . 3.475 2.728 2.546 3.585 0.110 16 0 "[ . 1 . 2]" 1
1343 1 88 ASP H 1 89 LEU H 2.420 . 3.152 1.932 1.799 2.083 . 0 0 "[ . 1 . 2]" 1
1344 1 88 ASP HB2 1 89 LEU H 3.558 . 5.141 3.977 3.650 4.180 . 0 0 "[ . 1 . 2]" 1
1345 1 88 ASP HB3 1 89 LEU H 3.566 . 5.155 3.128 2.701 4.041 . 0 0 "[ . 1 . 2]" 1
1346 1 89 LEU H 1 89 LEU HA 2.525 . 3.322 2.838 2.802 2.884 . 0 0 "[ . 1 . 2]" 1
1347 1 89 LEU H 1 89 LEU QB 2.488 . 3.239 2.049 2.007 2.145 . 0 0 "[ . 1 . 2]" 1
1348 1 89 LEU H 1 89 LEU MD1 2.953 . 5.500 3.042 2.697 3.655 . 0 0 "[ . 1 . 2]" 1
1349 1 89 LEU H 1 89 LEU MD2 2.855 . 5.500 4.171 4.023 4.349 . 0 0 "[ . 1 . 2]" 1
1350 1 89 LEU H 1 89 LEU HG 2.736 . 5.500 4.335 4.160 4.484 . 0 0 "[ . 1 . 2]" 1
1351 1 89 LEU H 1 90 ASN H 3.120 . 5.500 4.598 4.523 4.640 . 0 0 "[ . 1 . 2]" 1
1352 1 89 LEU HA 1 89 LEU MD1 2.403 . 5.500 2.436 2.221 2.592 . 0 0 "[ . 1 . 2]" 1
1353 1 89 LEU HA 1 89 LEU MD2 2.501 . 5.500 3.755 3.715 3.789 . 0 0 "[ . 1 . 2]" 1
1354 1 89 LEU HA 1 89 LEU HG 2.024 . 2.536 2.457 2.366 2.597 0.061 2 0 "[ . 1 . 2]" 1
1355 1 89 LEU QB 1 89 LEU MD1 2.691 . 3.596 2.201 2.083 2.358 . 0 0 "[ . 1 . 2]" 1
1356 1 89 LEU QB 1 89 LEU MD2 2.539 . 3.687 2.059 2.037 2.075 . 0 0 "[ . 1 . 2]" 1
1357 1 89 LEU QB 1 90 ASN H 3.055 . 3.988 3.168 2.941 3.617 . 0 0 "[ . 1 . 2]" 1
1358 1 89 LEU QB 1 91 HIS QB 1.700 . 5.500 5.096 4.843 5.209 . 0 0 "[ . 1 . 2]" 1
1359 1 89 LEU MD1 1 89 LEU MD2 2.132 . 2.700 2.050 2.011 2.079 . 0 0 "[ . 1 . 2]" 1
1360 1 89 LEU MD1 1 89 LEU HG 2.295 . 2.953 2.111 2.100 2.128 . 0 0 "[ . 1 . 2]" 1
1361 1 89 LEU MD1 1 90 ASN H 2.548 . 5.500 4.011 3.730 4.223 . 0 0 "[ . 1 . 2]" 1
1362 1 89 LEU MD2 1 89 LEU HG 2.468 . 2.933 2.117 2.092 2.123 . 0 0 "[ . 1 . 2]" 1
1363 1 89 LEU MD2 1 90 ASN H 2.803 . 5.500 4.170 4.030 4.304 . 0 0 "[ . 1 . 2]" 1
1364 1 89 LEU HG 1 90 ASN H 2.831 . 3.833 3.037 2.663 3.231 . 0 0 "[ . 1 . 2]" 1
1365 1 89 LEU HG 1 90 ASN HA 2.874 . 5.500 5.147 4.657 5.508 0.008 5 0 "[ . 1 . 2]" 1
1366 1 90 ASN H 1 90 ASN HA 2.769 . 3.728 2.892 2.858 2.935 . 0 0 "[ . 1 . 2]" 1
1367 1 90 ASN H 1 90 ASN HB2 3.100 . 4.301 3.959 3.832 4.018 . 0 0 "[ . 1 . 2]" 1
1368 1 90 ASN H 1 90 ASN HB3 3.211 . 4.500 3.425 3.303 3.538 . 0 0 "[ . 1 . 2]" 1
1369 1 90 ASN H 1 91 HIS H 3.444 . 4.576 4.256 4.069 4.377 . 0 0 "[ . 1 . 2]" 1
1370 1 90 ASN HA 1 90 ASN HB2 2.456 . 3.210 2.457 2.415 2.522 . 0 0 "[ . 1 . 2]" 1
1371 1 90 ASN HA 1 90 ASN HB3 2.425 . 3.160 2.446 2.384 2.486 . 0 0 "[ . 1 . 2]" 1
1372 1 90 ASN HA 1 91 HIS H 2.256 . 2.892 2.195 2.135 2.279 . 0 0 "[ . 1 . 2]" 1
1373 1 90 ASN HB2 1 91 HIS H 2.808 . 3.794 2.966 2.655 3.307 . 0 0 "[ . 1 . 2]" 1
1374 1 90 ASN HB2 1 92 GLN H 3.627 . 5.272 4.067 3.621 4.260 . 0 0 "[ . 1 . 2]" 1
1375 1 90 ASN HB3 1 91 HIS H 2.613 . 5.500 4.038 3.907 4.179 . 0 0 "[ . 1 . 2]" 1
1376 1 91 HIS H 1 91 HIS HA 2.769 . 3.728 2.857 2.834 2.903 . 0 0 "[ . 1 . 2]" 1
1377 1 91 HIS H 1 91 HIS QB 3.018 . 4.071 2.998 2.844 3.413 . 0 0 "[ . 1 . 2]" 1
1378 1 91 HIS HA 1 91 HIS QB 2.624 . 3.485 2.438 2.161 2.537 . 0 0 "[ . 1 . 2]" 1
1379 1 91 HIS HA 1 92 GLN H 2.864 . 3.890 2.110 2.068 2.148 . 0 0 "[ . 1 . 2]" 1
1380 1 92 GLN H 1 92 GLN HB2 3.464 . 4.964 2.426 2.066 2.615 . 0 0 "[ . 1 . 2]" 1
1381 1 92 GLN H 1 92 GLN HB3 3.329 . 4.715 2.718 2.394 3.568 . 0 0 "[ . 1 . 2]" 1
1382 1 92 GLN HA 1 92 GLN HB2 2.637 . 3.506 2.597 2.449 3.016 . 0 0 "[ . 1 . 2]" 1
1383 1 92 GLN HA 1 92 GLN HB3 2.760 . 3.712 2.940 2.513 3.025 . 0 0 "[ . 1 . 2]" 1
1384 1 92 GLN HA 1 92 GLN HG3 2.840 . 3.848 2.932 2.507 3.636 . 0 0 "[ . 1 . 2]" 1
1385 1 92 GLN HA 1 93 TRP H 2.277 . 2.925 2.186 2.137 2.236 . 0 0 "[ . 1 . 2]" 1
1386 1 92 GLN HB2 1 92 GLN HG2 2.327 . 3.004 2.876 2.493 3.009 0.005 13 0 "[ . 1 . 2]" 1
1387 1 92 GLN HB2 1 92 GLN HG3 2.340 . 3.024 2.374 2.228 2.589 . 0 0 "[ . 1 . 2]" 1
1388 1 92 GLN HB2 1 93 TRP H 2.986 . 4.100 4.090 3.863 4.290 0.190 20 0 "[ . 1 . 2]" 1
1389 1 92 GLN HB3 1 92 GLN HG2 2.437 . 3.179 2.626 2.308 3.006 . 0 0 "[ . 1 . 2]" 1
1390 1 92 GLN HB3 1 92 GLN HG3 2.440 . 3.184 2.875 2.488 3.009 . 0 0 "[ . 1 . 2]" 1
1391 1 92 GLN HB3 1 93 TRP H 3.142 . 4.376 3.694 2.668 4.046 . 0 0 "[ . 1 . 2]" 1
1392 1 92 GLN HG3 1 93 TRP H 3.273 . 4.612 3.653 2.868 4.698 0.086 15 0 "[ . 1 . 2]" 1
1393 1 93 TRP H 1 93 TRP HA 2.792 . 3.766 2.902 2.870 2.928 . 0 0 "[ . 1 . 2]" 1
1394 1 93 TRP H 1 93 TRP HB2 2.958 . 4.052 3.646 3.406 4.018 . 0 0 "[ . 1 . 2]" 1
1395 1 93 TRP H 1 93 TRP HB3 2.828 . 3.828 2.796 2.600 3.130 . 0 0 "[ . 1 . 2]" 1
1396 1 93 TRP H 1 94 PHE H 3.237 . 4.547 4.199 3.874 4.346 . 0 0 "[ . 1 . 2]" 1
1397 1 93 TRP HB2 1 94 PHE H 3.072 . 4.251 3.829 3.053 4.270 0.019 3 0 "[ . 1 . 2]" 1
1398 1 93 TRP HB3 1 94 PHE H 2.388 . 3.101 2.612 2.268 2.841 . 0 0 "[ . 1 . 2]" 1
1399 1 93 TRP HE1 1 95 GLN H 3.349 . 4.751 4.470 4.042 4.796 0.045 2 0 "[ . 1 . 2]" 1
1400 1 93 TRP HE1 1 95 GLN HA 2.543 . 3.351 2.545 1.833 3.410 0.059 11 0 "[ . 1 . 2]" 1
1401 1 93 TRP HE1 1 95 GLN HB2 2.919 . 3.888 3.240 2.787 3.975 0.087 5 0 "[ . 1 . 2]" 1
1402 1 93 TRP HE1 1 95 GLN HB3 2.720 . 3.644 2.286 1.655 3.556 0.141 11 0 "[ . 1 . 2]" 1
1403 1 93 TRP HE1 1 95 GLN HE21 3.303 . 4.666 4.100 2.413 4.820 0.154 10 0 "[ . 1 . 2]" 1
1404 1 93 TRP HE1 1 95 GLN QG 2.868 . 5.180 3.718 3.013 4.415 . 0 0 "[ . 1 . 2]" 1
1405 1 93 TRP HE1 1 96 LYS H 3.143 . 5.500 4.013 3.055 5.044 . 0 0 "[ . 1 . 2]" 1
1406 1 94 PHE H 1 94 PHE QB 2.358 . 3.053 2.638 2.274 2.882 . 0 0 "[ . 1 . 2]" 1
1407 1 94 PHE H 1 95 GLN H 3.436 . 4.912 4.406 4.280 4.552 . 0 0 "[ . 1 . 2]" 1
1408 1 94 PHE HA 1 95 GLN H 2.179 . 2.773 2.137 2.079 2.197 . 0 0 "[ . 1 . 2]" 1
1409 1 94 PHE QB 1 95 GLN H 3.062 . 4.234 3.459 3.018 3.895 . 0 0 "[ . 1 . 2]" 1
1410 1 95 GLN H 1 95 GLN HA 2.867 . 3.894 2.916 2.852 2.939 . 0 0 "[ . 1 . 2]" 1
1411 1 95 GLN H 1 95 GLN HB2 2.608 . 5.500 3.464 2.817 3.769 . 0 0 "[ . 1 . 2]" 1
1412 1 95 GLN H 1 95 GLN HB3 2.770 . 3.729 3.448 3.279 3.682 . 0 0 "[ . 1 . 2]" 1
1413 1 95 GLN H 1 95 GLN QG 3.641 . 5.298 2.041 1.927 2.144 0.057 17 0 "[ . 1 . 2]" 1
1414 1 95 GLN H 1 96 LYS H 2.917 . 5.500 4.453 4.247 4.610 . 0 0 "[ . 1 . 2]" 1
1415 1 95 GLN HA 1 95 GLN HB3 2.697 . 3.606 2.308 2.239 2.349 . 0 0 "[ . 1 . 2]" 1
1416 1 95 GLN HA 1 95 GLN HE22 3.544 . 5.114 4.642 3.254 5.205 0.091 3 0 "[ . 1 . 2]" 1
1417 1 95 GLN HA 1 96 LYS H 2.072 . 2.609 2.186 2.086 2.277 . 0 0 "[ . 1 . 2]" 1
1418 1 95 GLN HA 1 96 LYS HA 2.329 . 5.500 4.380 4.241 4.466 . 0 0 "[ . 1 . 2]" 1
1419 1 95 GLN HB2 1 96 LYS H 3.196 . 4.473 3.175 2.770 4.228 . 0 0 "[ . 1 . 2]" 1
1420 1 95 GLN HB3 1 95 GLN QG 2.512 . 3.301 2.218 2.152 2.396 . 0 0 "[ . 1 . 2]" 1
1421 1 95 GLN HB3 1 96 LYS H 2.855 . 3.874 3.602 2.851 3.890 0.016 1 0 "[ . 1 . 2]" 1
1422 1 95 GLN HE21 1 95 GLN QG 3.107 . 4.051 2.767 2.709 2.816 . 0 0 "[ . 1 . 2]" 1
1423 1 95 GLN HE21 1 96 LYS H 2.860 . 3.883 3.680 3.283 4.037 0.154 17 0 "[ . 1 . 2]" 1
1424 1 95 GLN HE22 1 95 GLN QG 3.039 . 4.193 3.459 3.437 3.473 . 0 0 "[ . 1 . 2]" 1
1425 1 95 GLN HE22 1 96 LYS H 2.684 . 5.500 4.872 4.527 5.505 0.005 17 0 "[ . 1 . 2]" 1
1426 1 95 GLN QG 1 96 LYS H 3.412 . 5.500 4.643 4.519 4.883 . 0 0 "[ . 1 . 2]" 1
1427 1 96 LYS H 1 96 LYS HA 2.499 . 3.279 2.768 2.245 2.949 . 0 0 "[ . 1 . 2]" 1
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