Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548123 | 2lj1 RC | 17913 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lj1
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 814
_Distance_constraint_stats_list.Viol_count 1516
_Distance_constraint_stats_list.Viol_total 2658.575
_Distance_constraint_stats_list.Viol_max 0.990
_Distance_constraint_stats_list.Viol_rms 0.0663
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.1169
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 2 THR 0.000 0.000 . 0 "[ . 1 .]"
1 3 SER 1.764 0.464 2 0 "[ . 1 .]"
1 4 GLN 2.551 0.464 2 0 "[ . 1 .]"
1 5 ASP 6.147 0.845 8 4 "[ .* + 1 * -.]"
1 6 LEU 5.897 0.284 9 0 "[ . 1 .]"
1 7 PHE 8.590 0.926 10 5 "[ * * +- *]"
1 8 SER 6.178 0.708 15 3 "[ * 1- +]"
1 9 TYR 5.775 0.176 8 0 "[ . 1 .]"
1 10 GLN 7.539 0.780 11 6 "[ **.* 1+* -.]"
1 11 ALA 0.785 0.141 9 0 "[ . 1 .]"
1 12 LEU 0.478 0.152 2 0 "[ . 1 .]"
1 13 TYR 4.683 0.383 13 0 "[ . 1 .]"
1 14 SER 1.662 0.149 3 0 "[ . 1 .]"
1 15 TYR 8.552 0.572 13 4 "[ *. 1* + -]"
1 16 ILE 2.880 0.205 6 0 "[ . 1 .]"
1 17 PRO 9.646 0.541 9 6 "[* -*. * +* .]"
1 18 GLN 1.386 0.088 1 0 "[ . 1 .]"
1 19 ASN 1.382 0.107 14 0 "[ . 1 .]"
1 20 ASP 2.185 0.454 8 0 "[ . 1 .]"
1 21 ASP 1.875 0.856 5 1 "[ + 1 .]"
1 22 GLU 5.733 0.987 2 5 "[ + .* *-1 *]"
1 23 LEU 0.353 0.046 6 0 "[ . 1 .]"
1 24 GLU 3.099 0.128 7 0 "[ . 1 .]"
1 25 LEU 7.969 0.572 13 4 "[ *. 1* + -]"
1 26 ARG 11.707 0.990 7 6 "[ * + **-* .]"
1 27 ASP 6.586 0.580 14 2 "[- . 1 +.]"
1 28 GLY 10.496 0.780 11 7 "[- **.* 1+* *.]"
1 29 ASP 2.251 0.201 9 0 "[ . 1 .]"
1 30 ILE 2.117 0.142 10 0 "[ . 1 .]"
1 31 VAL 1.404 0.146 3 0 "[ . 1 .]"
1 32 ASP 2.227 0.160 2 0 "[ . 1 .]"
1 33 VAL 3.775 0.192 15 0 "[ . 1 .]"
1 34 MET 0.016 0.016 10 0 "[ . 1 .]"
1 35 GLU 9.941 0.667 4 1 "[ +. 1 .]"
1 36 LYS 6.458 0.667 4 7 "[ **+.* * *- .]"
1 37 CYS 3.119 0.654 5 1 "[ + 1 .]"
1 38 ASP 0.179 0.179 5 0 "[ . 1 .]"
1 39 ASP 3.289 0.654 5 1 "[ + 1 .]"
1 40 GLY 0.412 0.123 3 0 "[ . 1 .]"
1 41 TRP 7.237 0.454 6 0 "[ . 1 .]"
1 42 PHE 4.068 0.293 13 0 "[ . 1 .]"
1 43 VAL 5.338 0.448 14 0 "[ . 1 .]"
1 44 GLY 3.369 0.248 13 0 "[ . 1 .]"
1 45 THR 2.568 0.198 15 0 "[ . 1 .]"
1 46 SER 1.829 0.441 9 0 "[ . 1 .]"
1 47 ARG 4.177 0.889 12 1 "[ . 1 + .]"
1 48 ARG 7.614 0.441 9 0 "[ . 1 .]"
1 49 THR 0.514 0.189 15 0 "[ . 1 .]"
1 50 LYS 11.118 0.476 15 0 "[ . 1 .]"
1 51 GLN 0.840 0.075 4 0 "[ . 1 .]"
1 52 PHE 15.530 0.607 2 7 "[*+*-. * 1 * *]"
1 53 GLY 6.892 0.607 2 4 "[-+ *. 1 *]"
1 54 THR 6.490 0.987 2 6 "[ + ** *-1 *]"
1 55 PHE 1.357 0.087 7 0 "[ . 1 .]"
1 56 PRO 1.195 0.087 7 0 "[ . 1 .]"
1 57 GLY 1.230 0.212 7 0 "[ . 1 .]"
1 58 ASN 0.358 0.063 4 0 "[ . 1 .]"
1 59 TYR 0.974 0.117 3 0 "[ . 1 .]"
1 60 VAL 2.497 0.171 2 0 "[ . 1 .]"
1 61 LYS 0.951 0.196 5 0 "[ . 1 .]"
1 62 PRO 0.984 0.196 5 0 "[ . 1 .]"
1 63 LEU 2.755 0.135 3 0 "[ . 1 .]"
1 64 TYR 1.695 0.222 11 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLN HA 1 2 THR H 2.738 . 3.675 2.772 2.147 3.582 . 0 0 "[ . 1 .]" 1
2 1 2 THR H 1 2 THR HA 2.759 . 3.710 2.770 2.250 2.941 . 0 0 "[ . 1 .]" 1
3 1 2 THR H 1 2 THR HB 3.234 . 4.541 3.226 2.530 4.013 . 0 0 "[ . 1 .]" 1
4 1 2 THR H 1 2 THR MG 3.267 . 4.601 3.346 2.548 4.046 . 0 0 "[ . 1 .]" 1
5 1 2 THR HA 1 2 THR MG 2.089 . 2.634 2.280 2.206 2.384 . 0 0 "[ . 1 .]" 1
6 1 2 THR HA 1 3 SER H 2.717 . 3.640 2.943 2.155 3.571 . 0 0 "[ . 1 .]" 1
7 1 2 THR HB 1 2 THR MG 2.462 . 3.220 2.134 2.128 2.138 . 0 0 "[ . 1 .]" 1
8 1 2 THR MG 1 3 SER H 4.130 . 6.262 3.805 3.018 4.366 . 0 0 "[ . 1 .]" 1
9 1 3 SER H 1 3 SER HA 2.410 . 3.136 2.799 2.250 2.947 . 0 0 "[ . 1 .]" 1
10 1 3 SER H 1 3 SER HB3 3.087 . 4.278 3.553 2.881 4.049 . 0 0 "[ . 1 .]" 1
11 1 3 SER HA 1 3 SER HB3 2.362 . 3.059 2.456 2.345 3.026 . 0 0 "[ . 1 .]" 1
12 1 3 SER HA 1 4 GLN H 2.585 . 3.420 2.899 2.179 3.536 0.116 6 0 "[ . 1 .]" 1
13 1 3 SER HB3 1 4 GLN H 2.708 . 3.625 3.180 1.808 4.089 0.464 2 0 "[ . 1 .]" 1
14 1 4 GLN H 1 4 GLN HA 2.926 . 3.996 2.623 2.240 2.925 . 0 0 "[ . 1 .]" 1
15 1 4 GLN H 1 4 GLN HB2 2.990 . 4.107 2.949 2.245 3.877 . 0 0 "[ . 1 .]" 1
16 1 4 GLN H 1 4 GLN HB3 2.961 . 4.057 3.418 2.378 4.131 0.074 14 0 "[ . 1 .]" 1
17 1 4 GLN H 1 4 GLN QG 2.990 . 4.107 3.414 2.540 4.012 . 0 0 "[ . 1 .]" 1
18 1 4 GLN HA 1 4 GLN HB2 2.320 . 2.993 2.719 2.338 3.014 0.021 7 0 "[ . 1 .]" 1
19 1 4 GLN HA 1 4 GLN HB3 2.295 . 2.953 2.748 2.527 3.022 0.069 4 0 "[ . 1 .]" 1
20 1 4 GLN HA 1 4 GLN QG 2.523 . 3.319 2.477 2.122 3.391 0.072 2 0 "[ . 1 .]" 1
21 1 4 GLN HA 1 5 ASP H 1.937 . 2.406 2.171 2.062 2.362 . 0 0 "[ . 1 .]" 1
22 1 4 GLN QG 1 5 ASP H 2.917 . 3.980 3.725 3.127 4.088 0.108 8 0 "[ . 1 .]" 1
23 1 5 ASP H 1 5 ASP HA 2.481 . 3.250 2.814 2.268 2.943 . 0 0 "[ . 1 .]" 1
24 1 5 ASP H 1 5 ASP HB3 2.419 . 3.150 3.146 2.569 3.995 0.845 8 4 "[ .* + 1 * -.]" 1
25 1 5 ASP H 1 6 LEU H 3.218 . 4.513 4.329 2.122 4.598 0.085 6 0 "[ . 1 .]" 1
26 1 5 ASP HA 1 5 ASP HB3 2.275 . 2.922 2.748 2.369 3.009 0.087 4 0 "[ . 1 .]" 1
27 1 5 ASP HA 1 6 LEU H 2.150 . 2.728 2.570 2.219 3.012 0.284 9 0 "[ . 1 .]" 1
28 1 5 ASP HB3 1 6 LEU H 2.655 . 3.536 2.894 1.619 3.666 0.155 8 0 "[ . 1 .]" 1
29 1 6 LEU H 1 6 LEU HA 2.604 . 3.451 2.878 2.785 2.925 . 0 0 "[ . 1 .]" 1
30 1 6 LEU H 1 6 LEU HB2 2.622 . 3.481 2.357 2.288 2.417 . 0 0 "[ . 1 .]" 1
31 1 6 LEU H 1 6 LEU HB3 2.622 . 3.481 3.564 3.543 3.611 0.130 7 0 "[ . 1 .]" 1
32 1 6 LEU H 1 6 LEU MD1 3.069 . 4.247 3.560 3.220 3.917 . 0 0 "[ . 1 .]" 1
33 1 6 LEU H 1 6 LEU HG 2.738 . 3.675 2.658 2.400 2.990 . 0 0 "[ . 1 .]" 1
34 1 6 LEU H 1 7 PHE H 3.125 . 4.346 4.366 4.188 4.507 0.161 15 0 "[ . 1 .]" 1
35 1 6 LEU HA 1 6 LEU HB2 2.317 . 2.988 3.005 2.995 3.016 0.028 1 0 "[ . 1 .]" 1
36 1 6 LEU HA 1 6 LEU HB3 2.409 . 3.134 2.508 2.456 2.569 . 0 0 "[ . 1 .]" 1
37 1 6 LEU HA 1 6 LEU MD2 2.028 . 2.542 2.077 1.862 2.320 . 0 0 "[ . 1 .]" 1
38 1 6 LEU HA 1 6 LEU HG 2.182 . 2.777 2.859 2.771 2.947 0.170 6 0 "[ . 1 .]" 1
39 1 6 LEU HA 1 7 PHE H 2.281 . 2.931 2.739 2.498 2.985 0.054 3 0 "[ . 1 .]" 1
40 1 6 LEU HB2 1 6 LEU MD1 1.848 . 2.275 2.202 2.131 2.258 . 0 0 "[ . 1 .]" 1
41 1 6 LEU HB2 1 6 LEU MD2 2.723 . 3.650 3.163 3.130 3.189 . 0 0 "[ . 1 .]" 1
42 1 6 LEU HB2 1 7 PHE H 2.853 . 3.870 3.069 2.596 3.372 . 0 0 "[ . 1 .]" 1
43 1 6 LEU HB3 1 6 LEU MD1 2.153 . 2.732 2.427 2.370 2.528 . 0 0 "[ . 1 .]" 1
44 1 6 LEU HB3 1 6 LEU MD2 2.037 . 2.556 2.271 2.115 2.339 . 0 0 "[ . 1 .]" 1
45 1 6 LEU HB3 1 7 PHE H 2.549 . 3.361 1.823 1.640 2.048 0.097 3 0 "[ . 1 .]" 1
46 1 6 LEU MD1 1 7 PHE H 3.135 . 4.364 3.937 3.687 4.157 . 0 0 "[ . 1 .]" 1
47 1 7 PHE H 1 7 PHE HA 2.422 . 3.156 2.931 2.908 2.945 . 0 0 "[ . 1 .]" 1
48 1 7 PHE H 1 7 PHE HB2 2.997 . 4.120 2.943 2.546 3.769 . 0 0 "[ . 1 .]" 1
49 1 7 PHE H 1 7 PHE HB3 2.791 . 3.765 3.723 3.401 3.943 0.178 7 0 "[ . 1 .]" 1
50 1 7 PHE H 1 7 PHE HD2 2.608 . 3.458 3.434 2.632 4.384 0.926 10 2 "[ - . + .]" 1
51 1 7 PHE HA 1 7 PHE HB2 2.398 . 3.117 2.938 2.608 3.025 . 0 0 "[ . 1 .]" 1
52 1 7 PHE HA 1 7 PHE HB3 2.626 . 3.488 2.366 2.259 2.476 . 0 0 "[ . 1 .]" 1
53 1 7 PHE HA 1 8 SER H 2.325 . 3.001 2.341 2.135 2.460 . 0 0 "[ . 1 .]" 1
54 1 7 PHE HB2 1 7 PHE HD2 2.741 . 3.680 2.590 2.254 3.602 . 0 0 "[ . 1 .]" 1
55 1 7 PHE HB2 1 8 SER H 2.607 . 3.456 3.259 2.436 3.618 0.162 10 0 "[ . 1 .]" 1
56 1 7 PHE HB3 1 7 PHE HD2 2.528 . 3.327 3.195 2.332 3.642 0.315 9 0 "[ . 1 .]" 1
57 1 7 PHE HB3 1 8 SER H 2.267 . 2.909 2.697 2.250 3.617 0.708 15 3 "[ * 1- +]" 1
58 1 8 SER H 1 8 SER HA 2.729 . 3.660 2.932 2.887 2.946 . 0 0 "[ . 1 .]" 1
59 1 8 SER H 1 8 SER HB2 2.494 . 3.272 2.694 2.577 2.831 . 0 0 "[ . 1 .]" 1
60 1 8 SER H 1 8 SER HB3 2.931 . 4.005 3.726 3.596 3.831 . 0 0 "[ . 1 .]" 1
61 1 8 SER H 1 9 TYR H 3.844 . 5.691 4.474 4.398 4.571 . 0 0 "[ . 1 .]" 1
62 1 8 SER HA 1 8 SER HB2 2.286 . 2.939 3.005 3.002 3.009 0.070 2 0 "[ . 1 .]" 1
63 1 8 SER HA 1 8 SER HB3 2.530 . 3.330 2.378 2.357 2.411 . 0 0 "[ . 1 .]" 1
64 1 8 SER HA 1 9 TYR H 2.059 . 2.589 2.235 2.208 2.278 . 0 0 "[ . 1 .]" 1
65 1 8 SER HA 1 9 TYR HD1 3.030 . 4.178 2.916 2.759 3.148 . 0 0 "[ . 1 .]" 1
66 1 8 SER HA 1 30 ILE MG 2.935 . 4.012 3.498 3.290 3.592 . 0 0 "[ . 1 .]" 1
67 1 8 SER HB2 1 9 TYR H 2.729 . 3.660 3.755 3.730 3.784 0.124 2 0 "[ . 1 .]" 1
68 1 8 SER HB2 1 30 ILE MG 2.982 . 4.093 2.912 2.638 3.031 . 0 0 "[ . 1 .]" 1
69 1 8 SER HB2 1 63 LEU HB2 3.186 . 4.455 4.376 4.069 4.590 0.135 3 0 "[ . 1 .]" 1
70 1 8 SER HB2 1 63 LEU MD1 2.156 . 2.737 1.771 1.545 1.971 0.030 4 0 "[ . 1 .]" 1
71 1 8 SER HB3 1 9 TYR H 2.729 . 3.660 2.903 2.808 2.994 . 0 0 "[ . 1 .]" 1
72 1 8 SER HB3 1 30 ILE MG 3.021 . 4.162 1.980 1.738 2.143 0.142 10 0 "[ . 1 .]" 1
73 1 8 SER HB3 1 63 LEU MD1 2.404 . 3.126 2.668 2.516 2.821 . 0 0 "[ . 1 .]" 1
74 1 8 SER HB3 1 63 LEU HG 2.841 . 3.850 3.864 3.720 3.906 0.056 12 0 "[ . 1 .]" 1
75 1 9 TYR H 1 9 TYR HA 2.926 . 3.996 2.944 2.930 2.953 . 0 0 "[ . 1 .]" 1
76 1 9 TYR H 1 9 TYR HB2 2.379 . 3.086 2.742 2.703 2.773 . 0 0 "[ . 1 .]" 1
77 1 9 TYR H 1 9 TYR HB3 3.044 . 4.202 3.817 3.799 3.837 . 0 0 "[ . 1 .]" 1
78 1 9 TYR H 1 9 TYR HD1 2.910 . 3.969 2.603 2.419 2.799 . 0 0 "[ . 1 .]" 1
79 1 9 TYR H 1 30 ILE MG 2.629 . 3.493 2.869 2.766 3.048 . 0 0 "[ . 1 .]" 1
80 1 9 TYR H 1 31 VAL MG1 3.036 . 4.188 2.557 1.961 2.983 . 0 0 "[ . 1 .]" 1
81 1 9 TYR HA 1 9 TYR HB2 2.497 . 3.277 3.038 3.033 3.044 . 0 0 "[ . 1 .]" 1
82 1 9 TYR HA 1 9 TYR HB3 2.558 . 3.376 2.459 2.415 2.493 . 0 0 "[ . 1 .]" 1
83 1 9 TYR HA 1 9 TYR HD2 2.823 . 3.819 3.495 3.380 3.612 . 0 0 "[ . 1 .]" 1
84 1 9 TYR HA 1 10 GLN H 2.302 . 2.965 2.303 2.260 2.333 . 0 0 "[ . 1 .]" 1
85 1 9 TYR HA 1 61 LYS H 3.673 . 5.360 4.961 4.873 5.122 . 0 0 "[ . 1 .]" 1
86 1 9 TYR HA 1 62 PRO HA 2.306 . 2.971 2.715 2.528 2.961 . 0 0 "[ . 1 .]" 1
87 1 9 TYR HA 1 63 LEU H 2.308 . 2.974 2.780 2.504 3.007 0.033 10 0 "[ . 1 .]" 1
88 1 9 TYR HA 1 63 LEU HG 2.680 . 3.578 2.653 2.483 2.874 . 0 0 "[ . 1 .]" 1
89 1 9 TYR HB2 1 9 TYR HD2 2.523 . 3.319 3.461 3.426 3.495 0.176 8 0 "[ . 1 .]" 1
90 1 9 TYR HB2 1 10 GLN H 2.919 . 3.984 3.767 3.721 3.801 . 0 0 "[ . 1 .]" 1
91 1 9 TYR HB2 1 31 VAL MG1 2.510 . 3.297 2.049 1.824 2.648 . 0 0 "[ . 1 .]" 1
92 1 9 TYR HB2 1 60 VAL HB 2.940 . 4.021 4.144 4.091 4.192 0.171 2 0 "[ . 1 .]" 1
93 1 9 TYR HB2 1 60 VAL MG1 2.335 . 3.016 2.258 2.094 2.364 . 0 0 "[ . 1 .]" 1
94 1 9 TYR HB2 1 60 VAL MG2 2.446 . 3.194 2.043 1.967 2.111 . 0 0 "[ . 1 .]" 1
95 1 9 TYR HB2 1 61 LYS H 3.212 . 4.502 4.488 4.403 4.547 0.045 12 0 "[ . 1 .]" 1
96 1 9 TYR HB3 1 9 TYR HD2 2.475 . 3.241 2.254 2.246 2.268 . 0 0 "[ . 1 .]" 1
97 1 9 TYR HB3 1 10 GLN H 2.397 . 3.115 2.661 2.598 2.749 . 0 0 "[ . 1 .]" 1
98 1 9 TYR HB3 1 31 VAL MG1 3.057 . 4.225 3.349 3.200 3.857 . 0 0 "[ . 1 .]" 1
99 1 9 TYR HB3 1 60 VAL MG1 2.607 . 3.456 2.562 2.491 2.618 . 0 0 "[ . 1 .]" 1
100 1 9 TYR HB3 1 60 VAL MG2 2.221 . 2.838 1.941 1.822 2.021 . 0 0 "[ . 1 .]" 1
101 1 9 TYR HB3 1 61 LYS H 2.938 . 4.017 3.154 3.037 3.219 . 0 0 "[ . 1 .]" 1
102 1 9 TYR HD2 1 10 GLN H 3.151 . 4.392 4.168 3.984 4.370 . 0 0 "[ . 1 .]" 1
103 1 9 TYR HD2 1 60 VAL MG1 2.261 . 2.900 2.839 2.802 2.870 . 0 0 "[ . 1 .]" 1
104 1 9 TYR HD2 1 61 LYS H 2.968 . 4.069 3.991 3.768 4.113 0.044 10 0 "[ . 1 .]" 1
105 1 9 TYR HD2 1 62 PRO HA 2.798 . 3.777 2.905 2.554 3.169 . 0 0 "[ . 1 .]" 1
106 1 10 GLN H 1 10 GLN HA 2.993 . 4.113 2.955 2.950 2.958 . 0 0 "[ . 1 .]" 1
107 1 10 GLN H 1 10 GLN HB2 2.594 . 3.435 2.897 2.785 3.111 . 0 0 "[ . 1 .]" 1
108 1 10 GLN H 1 10 GLN HB3 2.577 . 3.407 2.627 2.407 2.728 . 0 0 "[ . 1 .]" 1
109 1 10 GLN H 1 61 LYS H 2.659 . 3.542 3.477 3.339 3.615 0.073 7 0 "[ . 1 .]" 1
110 1 10 GLN H 1 62 PRO HA 2.789 . 3.761 3.758 3.666 3.797 0.036 12 0 "[ . 1 .]" 1
111 1 10 GLN H 1 63 LEU MD2 2.805 . 3.788 2.763 2.626 2.907 . 0 0 "[ . 1 .]" 1
112 1 10 GLN H 1 63 LEU HG 2.795 . 3.772 3.821 3.726 3.870 0.098 1 0 "[ . 1 .]" 1
113 1 10 GLN HA 1 10 GLN HB2 2.052 . 2.579 2.509 2.380 2.572 . 0 0 "[ . 1 .]" 1
114 1 10 GLN HA 1 10 GLN HB3 2.378 . 3.085 3.025 3.020 3.032 . 0 0 "[ . 1 .]" 1
115 1 10 GLN HA 1 10 GLN HG3 2.516 . 3.308 2.524 2.410 2.711 . 0 0 "[ . 1 .]" 1
116 1 10 GLN HA 1 11 ALA H 2.142 . 2.716 2.167 2.144 2.187 . 0 0 "[ . 1 .]" 1
117 1 10 GLN HA 1 30 ILE HA 2.382 . 3.091 2.341 2.248 2.434 . 0 0 "[ . 1 .]" 1
118 1 10 GLN HA 1 30 ILE MD 2.715 . 3.636 3.517 3.415 3.558 . 0 0 "[ . 1 .]" 1
119 1 10 GLN HA 1 31 VAL H 2.903 . 3.957 3.734 3.491 3.996 0.039 8 0 "[ . 1 .]" 1
120 1 10 GLN HB2 1 63 LEU MD2 2.322 . 2.996 1.746 1.597 1.971 0.051 11 0 "[ . 1 .]" 1
121 1 10 GLN HB3 1 11 ALA H 3.200 . 4.480 4.064 3.930 4.261 . 0 0 "[ . 1 .]" 1
122 1 10 GLN HG3 1 11 ALA H 2.643 . 3.516 3.118 2.860 3.494 . 0 0 "[ . 1 .]" 1
123 1 10 GLN HG3 1 28 GLY HA2 2.502 . 3.285 2.741 2.119 3.157 . 0 0 "[ . 1 .]" 1
124 1 10 GLN HG3 1 28 GLY HA3 2.617 . 3.473 3.891 3.567 4.253 0.780 11 6 "[ **.* 1+* -.]" 1
125 1 11 ALA H 1 11 ALA HA 2.870 . 3.900 2.871 2.867 2.876 . 0 0 "[ . 1 .]" 1
126 1 11 ALA H 1 11 ALA MB 2.291 . 2.947 2.224 2.172 2.245 . 0 0 "[ . 1 .]" 1
127 1 11 ALA H 1 12 LEU H 3.617 . 5.252 4.550 4.532 4.563 . 0 0 "[ . 1 .]" 1
128 1 11 ALA H 1 28 GLY H 2.929 . 4.001 3.913 3.662 4.039 0.038 12 0 "[ . 1 .]" 1
129 1 11 ALA H 1 29 ASP H 3.157 . 4.403 2.854 2.527 3.074 . 0 0 "[ . 1 .]" 1
130 1 11 ALA H 1 30 ILE HA 2.844 . 3.855 3.595 3.487 3.739 . 0 0 "[ . 1 .]" 1
131 1 11 ALA H 1 60 VAL MG2 3.056 . 4.224 3.048 2.964 3.108 . 0 0 "[ . 1 .]" 1
132 1 11 ALA HA 1 11 ALA MB 2.258 . 2.895 2.108 2.099 2.114 . 0 0 "[ . 1 .]" 1
133 1 11 ALA HA 1 12 LEU H 2.448 . 3.197 2.151 2.132 2.178 . 0 0 "[ . 1 .]" 1
134 1 11 ALA HA 1 60 VAL HA 2.246 . 2.876 2.593 2.365 2.900 0.024 2 0 "[ . 1 .]" 1
135 1 11 ALA HA 1 60 VAL MG2 2.291 . 2.947 1.769 1.654 1.863 . 0 0 "[ . 1 .]" 1
136 1 11 ALA HA 1 61 LYS H 3.191 . 4.464 3.117 2.985 3.269 . 0 0 "[ . 1 .]" 1
137 1 11 ALA MB 1 12 LEU H 2.715 . 3.636 2.844 2.790 2.929 . 0 0 "[ . 1 .]" 1
138 1 11 ALA MB 1 13 TYR H 2.678 . 3.574 3.038 2.881 3.219 . 0 0 "[ . 1 .]" 1
139 1 11 ALA MB 1 25 LEU MD1 2.586 . 3.422 1.714 1.609 1.795 0.141 9 0 "[ . 1 .]" 1
140 1 11 ALA MB 1 25 LEU MD2 2.617 . 3.330 2.366 2.151 2.581 . 0 0 "[ . 1 .]" 1
141 1 11 ALA MB 1 27 ASP HA 2.571 . 3.397 3.181 2.929 3.368 . 0 0 "[ . 1 .]" 1
142 1 11 ALA MB 1 28 GLY H 2.742 . 3.682 2.952 2.700 3.208 . 0 0 "[ . 1 .]" 1
143 1 11 ALA MB 1 29 ASP H 2.204 . 2.811 2.441 2.224 2.712 . 0 0 "[ . 1 .]" 1
144 1 11 ALA MB 1 29 ASP HB3 2.431 . 3.170 2.999 2.802 3.211 0.041 9 0 "[ . 1 .]" 1
145 1 12 LEU H 1 12 LEU HA 2.675 . 3.570 2.835 2.803 2.857 . 0 0 "[ . 1 .]" 1
146 1 12 LEU H 1 12 LEU QB 2.838 . 3.777 2.509 2.461 2.553 . 0 0 "[ . 1 .]" 1
147 1 12 LEU H 1 12 LEU QD 2.542 . 3.350 2.922 2.875 2.960 . 0 0 "[ . 1 .]" 1
148 1 12 LEU H 1 12 LEU HG 2.656 . 3.538 1.970 1.865 2.050 . 0 0 "[ . 1 .]" 1
149 1 12 LEU H 1 13 TYR H 2.388 . 3.101 2.547 2.425 2.677 . 0 0 "[ . 1 .]" 1
150 1 12 LEU H 1 59 TYR HB2 4.573 . 7.187 7.086 6.769 7.244 0.057 2 0 "[ . 1 .]" 1
151 1 12 LEU H 1 60 VAL HA 2.390 . 3.104 2.977 2.683 3.256 0.152 2 0 "[ . 1 .]" 1
152 1 12 LEU HA 1 12 LEU QD 2.343 . 3.029 2.305 2.213 2.374 . 0 0 "[ . 1 .]" 1
153 1 12 LEU HA 1 12 LEU HG 2.823 . 3.819 3.041 2.976 3.085 . 0 0 "[ . 1 .]" 1
154 1 12 LEU HA 1 13 TYR H 2.747 . 3.690 3.504 3.467 3.539 . 0 0 "[ . 1 .]" 1
155 1 12 LEU QB 1 12 LEU QD 2.310 . 2.526 1.896 1.886 1.904 . 0 0 "[ . 1 .]" 1
156 1 12 LEU QB 1 12 LEU HG 2.656 . 3.538 2.433 2.427 2.445 . 0 0 "[ . 1 .]" 1
157 1 12 LEU QB 1 13 TYR H 2.778 . 3.743 2.612 2.424 2.742 . 0 0 "[ . 1 .]" 1
158 1 12 LEU QB 1 13 TYR QD 2.912 . 3.972 2.275 2.021 2.600 . 0 0 "[ . 1 .]" 1
159 1 12 LEU QD 1 12 LEU HG 1.931 . 2.397 1.889 1.887 1.890 . 0 0 "[ . 1 .]" 1
160 1 12 LEU QD 1 13 TYR H 3.323 . 4.703 3.957 3.832 4.032 . 0 0 "[ . 1 .]" 1
161 1 12 LEU QD 1 13 TYR QD 2.940 . 4.021 3.391 3.282 3.513 . 0 0 "[ . 1 .]" 1
162 1 12 LEU QD 1 61 LYS H 2.970 . 4.073 3.439 3.389 3.472 . 0 0 "[ . 1 .]" 1
163 1 12 LEU QD 1 61 LYS QB 2.404 . 3.126 2.108 1.832 2.484 . 0 0 "[ . 1 .]" 1
164 1 12 LEU QD 1 61 LYS HD2 2.343 . 3.029 2.160 1.761 2.370 . 0 0 "[ . 1 .]" 1
165 1 12 LEU HG 1 60 VAL HA 2.732 . 3.665 2.888 2.672 3.142 . 0 0 "[ . 1 .]" 1
166 1 13 TYR H 1 13 TYR HB2 2.921 . 3.988 3.423 2.748 3.984 . 0 0 "[ . 1 .]" 1
167 1 13 TYR H 1 13 TYR HB3 2.656 . 3.538 3.681 3.462 3.921 0.383 13 0 "[ . 1 .]" 1
168 1 13 TYR H 1 13 TYR QD 2.990 . 4.107 3.234 2.914 3.613 . 0 0 "[ . 1 .]" 1
169 1 13 TYR H 1 27 ASP HA 2.935 . 4.012 3.661 3.530 3.883 . 0 0 "[ . 1 .]" 1
170 1 13 TYR HA 1 13 TYR HB2 2.230 . 2.852 2.744 2.453 3.039 0.187 14 0 "[ . 1 .]" 1
171 1 13 TYR HA 1 13 TYR HB3 2.535 . 3.338 2.437 2.354 2.524 . 0 0 "[ . 1 .]" 1
172 1 13 TYR HA 1 14 SER H 2.290 . 2.946 2.535 2.295 2.661 . 0 0 "[ . 1 .]" 1
173 1 13 TYR HA 1 27 ASP HA 3.054 . 4.220 2.765 2.364 3.247 . 0 0 "[ . 1 .]" 1
174 1 13 TYR HA 1 27 ASP HB2 2.788 . 3.760 2.930 2.433 4.124 0.364 14 0 "[ . 1 .]" 1
175 1 13 TYR HA 1 27 ASP HB3 2.908 . 3.965 2.344 1.972 2.865 . 0 0 "[ . 1 .]" 1
176 1 13 TYR HB2 1 13 TYR QD 2.744 . 3.685 2.341 2.299 2.418 . 0 0 "[ . 1 .]" 1
177 1 13 TYR HB2 1 14 SER H 2.639 . 3.510 2.709 2.017 3.606 0.096 13 0 "[ . 1 .]" 1
178 1 13 TYR HB3 1 13 TYR QD 2.247 . 2.878 2.466 2.378 2.540 . 0 0 "[ . 1 .]" 1
179 1 13 TYR HB3 1 14 SER H 2.629 . 3.493 2.937 2.050 3.556 0.063 4 0 "[ . 1 .]" 1
180 1 14 SER H 1 14 SER HA 2.719 . 3.643 2.885 2.851 2.912 . 0 0 "[ . 1 .]" 1
181 1 14 SER H 1 14 SER QB 2.730 . 3.662 2.642 2.547 2.819 . 0 0 "[ . 1 .]" 1
182 1 14 SER H 1 27 ASP H 3.367 . 4.784 3.604 3.209 3.886 . 0 0 "[ . 1 .]" 1
183 1 14 SER H 1 27 ASP HA 2.688 . 3.592 3.650 3.353 3.741 0.149 3 0 "[ . 1 .]" 1
184 1 14 SER HA 1 14 SER QB 2.125 . 2.689 2.226 2.175 2.314 . 0 0 "[ . 1 .]" 1
185 1 14 SER HA 1 15 TYR H 2.222 . 2.839 2.206 2.154 2.280 . 0 0 "[ . 1 .]" 1
186 1 14 SER HA 1 25 LEU QB 2.940 . 4.021 3.668 3.139 3.983 . 0 0 "[ . 1 .]" 1
187 1 14 SER HA 1 27 ASP H 2.841 . 3.850 2.954 2.748 3.124 . 0 0 "[ . 1 .]" 1
188 1 14 SER QB 1 15 TYR H 2.377 . 3.083 2.886 2.661 3.039 . 0 0 "[ . 1 .]" 1
189 1 14 SER QB 1 26 ARG HA 2.354 . 3.046 2.142 1.841 2.328 . 0 0 "[ . 1 .]" 1
190 1 14 SER QB 1 27 ASP H 2.393 . 3.109 2.277 1.619 3.098 0.058 14 0 "[ . 1 .]" 1
191 1 15 TYR H 1 15 TYR HA 2.631 . 3.496 2.943 2.926 2.952 . 0 0 "[ . 1 .]" 1
192 1 15 TYR H 1 15 TYR HB2 2.961 . 4.057 3.064 2.708 3.328 . 0 0 "[ . 1 .]" 1
193 1 15 TYR H 1 15 TYR HB3 3.096 . 4.294 2.662 2.541 2.947 . 0 0 "[ . 1 .]" 1
194 1 15 TYR H 1 25 LEU H 2.812 . 3.800 3.155 2.895 3.373 . 0 0 "[ . 1 .]" 1
195 1 15 TYR H 1 25 LEU QB 2.717 . 3.640 2.148 1.769 2.422 0.126 14 0 "[ . 1 .]" 1
196 1 15 TYR H 1 25 LEU MD1 2.673 . 3.566 2.433 2.230 2.809 . 0 0 "[ . 1 .]" 1
197 1 15 TYR H 1 25 LEU HG 3.140 . 4.373 4.286 4.079 4.411 0.038 11 0 "[ . 1 .]" 1
198 1 15 TYR HA 1 15 TYR HB2 2.917 . 3.980 2.483 2.386 2.663 . 0 0 "[ . 1 .]" 1
199 1 15 TYR HA 1 15 TYR HB3 2.693 . 3.600 3.015 2.987 3.024 . 0 0 "[ . 1 .]" 1
200 1 15 TYR HA 1 16 ILE H 2.228 . 2.848 2.184 2.136 2.225 . 0 0 "[ . 1 .]" 1
201 1 15 TYR HB2 1 15 TYR QD 2.732 . 3.665 2.449 2.375 2.531 . 0 0 "[ . 1 .]" 1
202 1 15 TYR HB2 1 25 LEU QB 2.569 . 3.379 2.794 2.186 3.242 . 0 0 "[ . 1 .]" 1
203 1 15 TYR HB2 1 25 LEU MD1 2.615 . 3.470 2.904 2.440 3.862 0.392 8 0 "[ . 1 .]" 1
204 1 15 TYR HB2 1 25 LEU HG 2.762 . 3.716 3.803 3.236 4.288 0.572 13 4 "[ *. 1* + -]" 1
205 1 15 TYR HB3 1 15 TYR QD 2.673 . 3.566 2.345 2.268 2.411 . 0 0 "[ . 1 .]" 1
206 1 15 TYR HB3 1 16 ILE H 2.919 . 3.984 4.056 3.916 4.189 0.205 6 0 "[ . 1 .]" 1
207 1 15 TYR HB3 1 25 LEU QB 2.841 . 3.850 1.639 1.610 1.757 0.222 4 0 "[ . 1 .]" 1
208 1 15 TYR HB3 1 25 LEU MD1 2.965 . 4.064 2.921 2.189 3.551 . 0 0 "[ . 1 .]" 1
209 1 15 TYR QD 1 16 ILE H 2.873 . 3.905 3.489 3.335 3.668 . 0 0 "[ . 1 .]" 1
210 1 15 TYR QD 1 25 LEU H 3.130 . 4.355 3.553 3.209 4.305 . 0 0 "[ . 1 .]" 1
211 1 16 ILE H 1 16 ILE HA 2.759 . 3.710 2.941 2.923 2.954 . 0 0 "[ . 1 .]" 1
212 1 16 ILE H 1 16 ILE HB 2.332 . 3.012 2.571 2.532 2.620 . 0 0 "[ . 1 .]" 1
213 1 16 ILE H 1 16 ILE HG12 2.754 . 3.702 2.622 2.482 2.670 . 0 0 "[ . 1 .]" 1
214 1 16 ILE H 1 16 ILE HG13 2.886 . 3.927 3.975 3.881 4.013 0.086 9 0 "[ . 1 .]" 1
215 1 16 ILE H 1 16 ILE MG 3.125 . 4.346 3.816 3.793 3.831 . 0 0 "[ . 1 .]" 1
216 1 16 ILE H 1 17 PRO HD3 4.071 . 6.142 4.475 4.288 4.581 . 0 0 "[ . 1 .]" 1
217 1 16 ILE HA 1 16 ILE HB 2.569 . 3.394 3.024 3.022 3.030 . 0 0 "[ . 1 .]" 1
218 1 16 ILE HA 1 16 ILE MD 1.700 . 2.061 1.825 1.778 1.868 . 0 0 "[ . 1 .]" 1
219 1 16 ILE HA 1 16 ILE HG12 2.500 . 3.282 3.084 3.057 3.139 . 0 0 "[ . 1 .]" 1
220 1 16 ILE HA 1 16 ILE MG 2.298 . 2.958 2.434 2.400 2.456 . 0 0 "[ . 1 .]" 1
221 1 16 ILE HA 1 17 PRO HD2 2.071 . 2.607 2.493 2.393 2.562 . 0 0 "[ . 1 .]" 1
222 1 16 ILE HA 1 17 PRO HD3 2.217 . 2.831 1.886 1.840 1.925 . 0 0 "[ . 1 .]" 1
223 1 16 ILE HA 1 24 GLU HG2 2.526 . 3.324 3.372 3.195 3.448 0.124 5 0 "[ . 1 .]" 1
224 1 16 ILE HA 1 24 GLU HG3 2.771 . 3.731 3.280 3.091 3.469 . 0 0 "[ . 1 .]" 1
225 1 16 ILE HB 1 16 ILE MD 2.624 . 3.485 3.198 3.195 3.202 . 0 0 "[ . 1 .]" 1
226 1 16 ILE HB 1 16 ILE HG12 2.466 . 3.226 2.453 2.436 2.471 . 0 0 "[ . 1 .]" 1
227 1 16 ILE HB 1 16 ILE MG 2.027 . 2.541 2.120 2.111 2.125 . 0 0 "[ . 1 .]" 1
228 1 16 ILE MD 1 16 ILE HG12 2.159 . 2.741 2.094 2.089 2.100 . 0 0 "[ . 1 .]" 1
229 1 16 ILE MD 1 16 ILE HG13 2.164 . 2.750 2.089 2.083 2.093 . 0 0 "[ . 1 .]" 1
230 1 16 ILE MD 1 17 PRO HD2 2.549 . 3.361 3.214 3.166 3.254 . 0 0 "[ . 1 .]" 1
231 1 16 ILE MD 1 24 GLU HG2 2.788 . 3.760 2.769 2.606 2.923 . 0 0 "[ . 1 .]" 1
232 1 16 ILE MD 1 24 GLU HG3 2.499 . 3.280 2.972 2.809 3.106 . 0 0 "[ . 1 .]" 1
233 1 16 ILE HG13 1 16 ILE MG 2.741 . 3.680 2.406 2.390 2.437 . 0 0 "[ . 1 .]" 1
234 1 16 ILE MG 1 17 PRO HD2 2.542 . 3.350 2.183 2.063 2.367 . 0 0 "[ . 1 .]" 1
235 1 16 ILE MG 1 17 PRO HD3 2.619 . 3.477 3.139 3.044 3.290 . 0 0 "[ . 1 .]" 1
236 1 17 PRO HA 1 17 PRO HB2 2.368 . 3.069 2.960 2.934 2.973 . 0 0 "[ . 1 .]" 1
237 1 17 PRO HA 1 17 PRO HB3 2.304 . 2.968 2.283 2.270 2.292 . 0 0 "[ . 1 .]" 1
238 1 17 PRO HA 1 17 PRO HG2 2.609 . 3.460 3.958 3.928 4.001 0.541 9 6 "[* -*. * +* .]" 1
239 1 17 PRO HA 1 17 PRO HG3 2.921 . 3.988 3.085 3.014 3.204 . 0 0 "[ . 1 .]" 1
240 1 17 PRO HA 1 18 GLN H 2.189 . 2.788 2.137 2.110 2.172 . 0 0 "[ . 1 .]" 1
241 1 17 PRO HA 1 19 ASN H 3.098 . 4.298 3.640 3.524 3.848 . 0 0 "[ . 1 .]" 1
242 1 17 PRO HB2 1 17 PRO HD2 2.917 . 3.980 3.061 3.014 3.097 . 0 0 "[ . 1 .]" 1
243 1 17 PRO HB2 1 17 PRO HG2 1.969 . 2.454 2.303 2.285 2.318 . 0 0 "[ . 1 .]" 1
244 1 17 PRO HB2 1 17 PRO HG3 2.285 . 2.938 2.979 2.966 2.989 0.051 12 0 "[ . 1 .]" 1
245 1 17 PRO HB3 1 17 PRO HG3 2.213 . 2.825 2.299 2.286 2.309 . 0 0 "[ . 1 .]" 1
246 1 17 PRO HD2 1 17 PRO HG2 2.381 . 3.090 2.296 2.287 2.307 . 0 0 "[ . 1 .]" 1
247 1 17 PRO HD2 1 17 PRO HG3 2.368 . 3.069 2.974 2.967 2.981 . 0 0 "[ . 1 .]" 1
248 1 17 PRO HD2 1 24 GLU HA 2.520 . 3.314 3.361 3.316 3.390 0.076 1 0 "[ . 1 .]" 1
249 1 17 PRO HD2 1 24 GLU HG2 2.795 . 3.771 3.803 3.735 3.829 0.058 7 0 "[ . 1 .]" 1
250 1 17 PRO HD3 1 17 PRO HG2 2.562 . 3.382 2.714 2.706 2.723 . 0 0 "[ . 1 .]" 1
251 1 17 PRO HD3 1 17 PRO HG3 2.753 . 3.700 2.293 2.289 2.304 . 0 0 "[ . 1 .]" 1
252 1 17 PRO HD3 1 24 GLU HA 1.863 . 2.297 1.804 1.742 1.871 . 0 0 "[ . 1 .]" 1
253 1 17 PRO HD3 1 24 GLU HG2 2.426 . 3.162 2.928 2.782 3.070 . 0 0 "[ . 1 .]" 1
254 1 17 PRO HD3 1 24 GLU HG3 1.984 . 2.476 2.404 2.097 2.604 0.128 7 0 "[ . 1 .]" 1
255 1 17 PRO HD3 1 25 LEU H 2.644 . 3.518 3.153 2.996 3.318 . 0 0 "[ . 1 .]" 1
256 1 17 PRO HG2 1 24 GLU H 2.865 . 3.891 3.724 3.546 3.872 . 0 0 "[ . 1 .]" 1
257 1 17 PRO HG2 1 24 GLU HA 2.771 . 3.731 3.306 3.154 3.560 . 0 0 "[ . 1 .]" 1
258 1 17 PRO HG3 1 24 GLU H 3.145 . 4.382 2.979 2.732 3.115 . 0 0 "[ . 1 .]" 1
259 1 17 PRO HG3 1 24 GLU HA 3.033 . 4.183 2.379 2.109 2.604 . 0 0 "[ . 1 .]" 1
260 1 18 GLN H 1 18 GLN HA 2.272 . 2.917 2.918 2.887 2.945 0.028 5 0 "[ . 1 .]" 1
261 1 18 GLN H 1 18 GLN HB2 2.670 . 3.561 2.586 2.523 2.692 . 0 0 "[ . 1 .]" 1
262 1 18 GLN H 1 18 GLN HG2 3.385 . 4.817 3.474 3.298 3.817 . 0 0 "[ . 1 .]" 1
263 1 18 GLN H 1 18 GLN HG3 2.348 . 3.037 2.249 1.981 2.481 . 0 0 "[ . 1 .]" 1
264 1 18 GLN H 1 19 ASN H 2.401 . 3.121 2.143 1.899 2.367 . 0 0 "[ . 1 .]" 1
265 1 18 GLN HA 1 18 GLN HB2 2.590 . 3.429 3.023 3.012 3.029 . 0 0 "[ . 1 .]" 1
266 1 18 GLN HA 1 18 GLN HB3 2.409 . 3.134 2.413 2.360 2.432 . 0 0 "[ . 1 .]" 1
267 1 18 GLN HA 1 18 GLN HG2 2.544 . 3.353 2.714 2.545 2.845 . 0 0 "[ . 1 .]" 1
268 1 18 GLN HA 1 18 GLN HG3 2.653 . 3.533 3.177 2.981 3.358 . 0 0 "[ . 1 .]" 1
269 1 18 GLN HA 1 19 ASN H 2.699 . 3.610 3.480 3.433 3.523 . 0 0 "[ . 1 .]" 1
270 1 18 GLN HB2 1 18 GLN HG2 2.296 . 2.955 2.998 2.990 3.005 0.050 1 0 "[ . 1 .]" 1
271 1 18 GLN HB2 1 19 ASN H 2.071 . 2.607 2.584 2.373 2.695 0.088 1 0 "[ . 1 .]" 1
272 1 18 GLN HB3 1 18 GLN HG2 2.308 . 2.974 2.409 2.333 2.523 . 0 0 "[ . 1 .]" 1
273 1 18 GLN HG3 1 19 ASN H 2.904 . 3.958 3.917 3.655 4.025 0.067 7 0 "[ . 1 .]" 1
274 1 19 ASN H 1 19 ASN HA 2.628 . 3.491 2.950 2.941 2.956 . 0 0 "[ . 1 .]" 1
275 1 19 ASN H 1 19 ASN HB2 2.750 . 3.695 2.507 2.452 2.588 . 0 0 "[ . 1 .]" 1
276 1 19 ASN H 1 19 ASN HB3 3.071 . 4.250 3.690 3.654 3.720 . 0 0 "[ . 1 .]" 1
277 1 19 ASN H 1 22 GLU H 2.805 . 3.788 3.747 3.531 3.866 0.078 13 0 "[ . 1 .]" 1
278 1 19 ASN HA 1 19 ASN HB2 2.683 . 3.583 3.025 3.015 3.036 . 0 0 "[ . 1 .]" 1
279 1 19 ASN HA 1 19 ASN HB3 2.359 . 3.054 2.540 2.487 2.596 . 0 0 "[ . 1 .]" 1
280 1 19 ASN HA 1 20 ASP H 2.573 . 3.400 2.388 2.307 2.452 . 0 0 "[ . 1 .]" 1
281 1 19 ASN HB2 1 21 ASP H 2.593 . 3.433 3.166 2.812 3.372 . 0 0 "[ . 1 .]" 1
282 1 19 ASN HB2 1 22 GLU H 2.590 . 3.429 3.199 2.903 3.467 0.038 12 0 "[ . 1 .]" 1
283 1 19 ASN HB3 1 20 ASP H 3.033 . 4.183 2.531 2.329 2.743 . 0 0 "[ . 1 .]" 1
284 1 19 ASN HB3 1 21 ASP H 2.165 . 2.751 2.441 2.197 2.675 . 0 0 "[ . 1 .]" 1
285 1 19 ASN HB3 1 22 GLU H 2.759 . 3.710 3.708 3.440 3.817 0.107 14 0 "[ . 1 .]" 1
286 1 20 ASP H 1 20 ASP HB3 2.738 . 3.675 3.197 2.387 3.612 . 0 0 "[ . 1 .]" 1
287 1 20 ASP H 1 21 ASP H 2.388 . 3.101 2.497 2.392 2.626 . 0 0 "[ . 1 .]" 1
288 1 20 ASP HA 1 20 ASP HB3 2.049 . 2.574 2.663 2.476 3.028 0.454 8 0 "[ . 1 .]" 1
289 1 20 ASP HA 1 21 ASP H 2.540 . 3.346 3.354 3.258 3.415 0.069 8 0 "[ . 1 .]" 1
290 1 20 ASP HA 1 22 GLU H 2.938 . 4.017 3.553 3.290 3.737 . 0 0 "[ . 1 .]" 1
291 1 20 ASP HB3 1 21 ASP H 3.132 . 4.358 3.841 3.035 4.240 . 0 0 "[ . 1 .]" 1
292 1 21 ASP H 1 21 ASP HA 2.660 . 3.545 2.882 2.812 2.929 . 0 0 "[ . 1 .]" 1
293 1 21 ASP H 1 21 ASP HB2 2.741 . 3.680 2.693 2.361 3.703 0.023 5 0 "[ . 1 .]" 1
294 1 21 ASP H 1 21 ASP HB3 2.921 . 3.988 3.410 2.697 3.656 . 0 0 "[ . 1 .]" 1
295 1 21 ASP H 1 22 GLU H 2.498 . 3.278 2.355 2.173 2.526 . 0 0 "[ . 1 .]" 1
296 1 21 ASP HA 1 21 ASP HB2 2.332 . 3.012 2.890 2.463 3.031 0.019 2 0 "[ . 1 .]" 1
297 1 21 ASP HA 1 21 ASP HB3 2.313 . 2.982 2.520 2.406 3.009 0.027 11 0 "[ . 1 .]" 1
298 1 21 ASP HA 1 22 GLU H 2.968 . 4.069 3.380 3.241 3.463 . 0 0 "[ . 1 .]" 1
299 1 21 ASP HB3 1 54 THR MG 2.849 . 3.864 2.980 2.199 4.720 0.856 5 1 "[ + 1 .]" 1
300 1 22 GLU H 1 22 GLU HA 2.750 . 3.695 2.892 2.883 2.912 . 0 0 "[ . 1 .]" 1
301 1 22 GLU H 1 22 GLU HB2 2.324 . 2.999 2.356 2.239 2.508 . 0 0 "[ . 1 .]" 1
302 1 22 GLU H 1 22 GLU HB3 2.699 . 3.610 3.575 3.525 3.639 0.029 2 0 "[ . 1 .]" 1
303 1 22 GLU H 1 22 GLU HG3 2.644 . 3.518 2.684 2.314 3.037 . 0 0 "[ . 1 .]" 1
304 1 22 GLU HA 1 22 GLU HB3 2.513 . 3.303 2.538 2.438 2.621 . 0 0 "[ . 1 .]" 1
305 1 22 GLU HA 1 22 GLU HG3 2.709 . 3.627 2.854 2.551 3.170 . 0 0 "[ . 1 .]" 1
306 1 22 GLU HA 1 23 LEU H 2.226 . 2.845 2.421 2.273 2.532 . 0 0 "[ . 1 .]" 1
307 1 22 GLU HA 1 53 GLY HA3 2.691 . 3.596 3.626 3.443 3.700 0.104 12 0 "[ . 1 .]" 1
308 1 22 GLU HA 1 54 THR H 2.181 . 2.775 2.262 1.871 2.479 . 0 0 "[ . 1 .]" 1
309 1 22 GLU HA 1 54 THR MG 2.592 . 3.432 2.590 2.332 2.798 . 0 0 "[ . 1 .]" 1
310 1 22 GLU HB2 1 23 LEU H 2.907 . 3.963 3.573 3.275 3.789 . 0 0 "[ . 1 .]" 1
311 1 22 GLU HB3 1 23 LEU H 2.543 . 3.351 2.290 2.117 2.565 . 0 0 "[ . 1 .]" 1
312 1 22 GLU HG3 1 54 THR MG 2.317 . 2.988 3.247 2.865 3.975 0.987 2 5 "[ + .* *-1 *]" 1
313 1 23 LEU H 1 23 LEU HA 2.741 . 3.680 2.936 2.909 2.949 . 0 0 "[ . 1 .]" 1
314 1 23 LEU H 1 23 LEU HB2 2.823 . 3.819 2.713 2.575 2.836 . 0 0 "[ . 1 .]" 1
315 1 23 LEU H 1 23 LEU HB3 2.707 . 3.623 2.545 2.464 2.665 . 0 0 "[ . 1 .]" 1
316 1 23 LEU H 1 53 GLY HA3 3.832 . 5.667 3.181 3.000 3.383 . 0 0 "[ . 1 .]" 1
317 1 23 LEU H 1 54 THR H 2.795 . 3.772 3.637 3.478 3.787 0.015 7 0 "[ . 1 .]" 1
318 1 23 LEU HA 1 23 LEU HB2 2.663 . 3.549 2.507 2.480 2.528 . 0 0 "[ . 1 .]" 1
319 1 23 LEU HA 1 23 LEU HB3 2.945 . 4.029 3.008 3.001 3.014 . 0 0 "[ . 1 .]" 1
320 1 23 LEU HA 1 23 LEU MD1 2.171 . 2.760 1.937 1.865 1.964 . 0 0 "[ . 1 .]" 1
321 1 23 LEU HA 1 23 LEU MD2 3.003 . 4.130 3.749 3.727 3.763 . 0 0 "[ . 1 .]" 1
322 1 23 LEU HA 1 23 LEU HG 2.973 . 4.078 3.178 3.091 3.232 . 0 0 "[ . 1 .]" 1
323 1 23 LEU HA 1 24 GLU H 2.136 . 2.706 2.235 2.187 2.275 . 0 0 "[ . 1 .]" 1
324 1 23 LEU HB2 1 23 LEU MD2 2.665 . 3.553 2.156 2.124 2.190 . 0 0 "[ . 1 .]" 1
325 1 23 LEU HB2 1 23 LEU HG 2.778 . 3.743 3.010 3.008 3.012 . 0 0 "[ . 1 .]" 1
326 1 23 LEU HB2 1 53 GLY HA3 2.363 . 3.061 1.647 1.619 1.696 0.046 6 0 "[ . 1 .]" 1
327 1 23 LEU HB2 1 55 PHE HD1 3.121 . 4.339 2.885 2.739 3.005 . 0 0 "[ . 1 .]" 1
328 1 23 LEU HB3 1 23 LEU MD2 2.302 . 2.964 2.393 2.366 2.416 . 0 0 "[ . 1 .]" 1
329 1 23 LEU HB3 1 23 LEU HG 2.584 . 3.419 2.401 2.386 2.410 . 0 0 "[ . 1 .]" 1
330 1 23 LEU HB3 1 55 PHE HB3 3.104 . 4.309 3.779 3.584 4.006 . 0 0 "[ . 1 .]" 1
331 1 23 LEU HB3 1 55 PHE HD1 2.635 . 3.503 2.366 2.090 2.564 . 0 0 "[ . 1 .]" 1
332 1 23 LEU MD1 1 24 GLU H 2.807 . 3.792 2.124 1.933 2.205 . 0 0 "[ . 1 .]" 1
333 1 23 LEU MD1 1 45 THR HA 3.080 . 4.266 3.565 3.358 3.736 . 0 0 "[ . 1 .]" 1
334 1 23 LEU MD1 1 46 SER H 2.715 . 3.637 2.743 2.523 2.890 . 0 0 "[ . 1 .]" 1
335 1 23 LEU MD1 1 52 PHE H 2.899 . 3.949 3.524 3.407 3.604 . 0 0 "[ . 1 .]" 1
336 1 23 LEU MD1 1 52 PHE HA 2.484 . 3.255 3.078 2.891 3.195 . 0 0 "[ . 1 .]" 1
337 1 23 LEU MD1 1 53 GLY H 2.771 . 3.731 2.259 2.123 2.401 . 0 0 "[ . 1 .]" 1
338 1 23 LEU MD1 1 53 GLY HA3 2.047 . 2.571 2.380 2.270 2.521 . 0 0 "[ . 1 .]" 1
339 1 23 LEU MD2 1 23 LEU HG 2.250 . 2.883 2.113 2.108 2.121 . 0 0 "[ . 1 .]" 1
340 1 23 LEU MD2 1 46 SER H 2.754 . 3.702 2.183 2.017 2.412 . 0 0 "[ . 1 .]" 1
341 1 23 LEU MD2 1 52 PHE HA 2.805 . 3.788 3.370 3.065 3.560 . 0 0 "[ . 1 .]" 1
342 1 23 LEU MD2 1 53 GLY H 2.383 . 3.093 2.153 2.031 2.252 . 0 0 "[ . 1 .]" 1
343 1 23 LEU MD2 1 53 GLY HA3 2.427 . 3.164 3.136 3.106 3.159 . 0 0 "[ . 1 .]" 1
344 1 23 LEU MD2 1 55 PHE HD1 2.656 . 3.538 3.148 3.018 3.227 . 0 0 "[ . 1 .]" 1
345 1 23 LEU HG 1 24 GLU H 2.895 . 3.943 2.972 2.616 3.205 . 0 0 "[ . 1 .]" 1
346 1 24 GLU H 1 24 GLU HB3 2.316 . 2.986 2.868 2.809 2.966 . 0 0 "[ . 1 .]" 1
347 1 24 GLU H 1 24 GLU HG2 3.237 . 4.547 4.490 4.408 4.544 . 0 0 "[ . 1 .]" 1
348 1 24 GLU H 1 24 GLU HG3 3.088 . 4.280 4.310 4.136 4.378 0.098 13 0 "[ . 1 .]" 1
349 1 24 GLU H 1 25 LEU H 3.212 . 4.502 4.422 4.383 4.512 0.010 7 0 "[ . 1 .]" 1
350 1 24 GLU HA 1 24 GLU HG2 2.487 . 3.260 2.477 2.332 2.564 . 0 0 "[ . 1 .]" 1
351 1 24 GLU HA 1 24 GLU HG3 2.212 . 2.824 2.666 2.502 2.808 . 0 0 "[ . 1 .]" 1
352 1 24 GLU HA 1 25 LEU H 2.303 . 2.966 2.119 2.095 2.136 . 0 0 "[ . 1 .]" 1
353 1 24 GLU HG2 1 25 LEU H 2.651 . 3.529 2.873 2.328 3.106 . 0 0 "[ . 1 .]" 1
354 1 24 GLU HG3 1 25 LEU H 3.001 . 4.127 4.017 3.816 4.122 . 0 0 "[ . 1 .]" 1
355 1 25 LEU H 1 25 LEU QB 2.511 . 3.232 2.360 2.329 2.426 . 0 0 "[ . 1 .]" 1
356 1 25 LEU H 1 25 LEU MD1 3.339 . 4.733 4.040 3.952 4.183 . 0 0 "[ . 1 .]" 1
357 1 25 LEU H 1 25 LEU MD2 3.190 . 4.462 4.118 4.044 4.163 . 0 0 "[ . 1 .]" 1
358 1 25 LEU HA 1 25 LEU MD1 2.639 . 3.510 3.134 2.732 3.292 . 0 0 "[ . 1 .]" 1
359 1 25 LEU HA 1 25 LEU MD2 2.358 . 3.053 1.809 1.638 1.879 0.025 14 0 "[ . 1 .]" 1
360 1 25 LEU HA 1 26 ARG H 2.106 . 2.661 2.202 2.177 2.222 . 0 0 "[ . 1 .]" 1
361 1 25 LEU QB 1 25 LEU MD1 2.729 . 2.731 2.187 2.089 2.238 . 0 0 "[ . 1 .]" 1
362 1 25 LEU QB 1 25 LEU MD2 2.317 . 2.988 2.449 2.353 2.519 . 0 0 "[ . 1 .]" 1
363 1 25 LEU QB 1 25 LEU HG 2.515 . 3.306 2.142 2.129 2.162 . 0 0 "[ . 1 .]" 1
364 1 25 LEU QB 1 26 ARG H 3.492 . 4.410 3.702 3.638 3.759 . 0 0 "[ . 1 .]" 1
365 1 25 LEU MD1 1 25 LEU HG 2.233 . 2.856 2.093 2.073 2.107 . 0 0 "[ . 1 .]" 1
366 1 25 LEU MD1 1 29 ASP HB3 2.935 . 4.012 3.117 2.281 3.674 . 0 0 "[ . 1 .]" 1
367 1 25 LEU MD2 1 25 LEU HG 2.378 . 3.085 2.113 2.105 2.124 . 0 0 "[ . 1 .]" 1
368 1 25 LEU MD2 1 26 ARG H 2.549 . 3.361 2.170 1.846 2.876 . 0 0 "[ . 1 .]" 1
369 1 25 LEU MD2 1 29 ASP HB3 2.791 . 3.765 2.072 1.824 2.485 . 0 0 "[ . 1 .]" 1
370 1 26 ARG H 1 26 ARG HB2 2.741 . 3.680 2.675 2.507 2.930 . 0 0 "[ . 1 .]" 1
371 1 26 ARG H 1 26 ARG HB3 2.903 . 3.957 3.292 2.556 3.758 . 0 0 "[ . 1 .]" 1
372 1 26 ARG HA 1 26 ARG HB2 2.538 . 3.343 2.812 2.478 3.021 . 0 0 "[ . 1 .]" 1
373 1 26 ARG HA 1 26 ARG HB3 2.575 . 3.404 2.708 2.480 3.024 . 0 0 "[ . 1 .]" 1
374 1 26 ARG HA 1 26 ARG HD2 2.997 . 4.120 2.558 1.796 3.138 0.078 12 0 "[ . 1 .]" 1
375 1 26 ARG HA 1 26 ARG HD3 1.890 . 2.337 2.373 1.721 3.327 0.990 7 6 "[ * + ***- .]" 1
376 1 26 ARG HA 1 26 ARG HG2 2.726 . 3.655 3.295 2.942 3.755 0.100 5 0 "[ . 1 .]" 1
377 1 26 ARG HA 1 26 ARG HG3 2.670 . 3.561 3.399 2.900 3.716 0.155 6 0 "[ . 1 .]" 1
378 1 26 ARG HA 1 27 ASP H 2.268 . 2.911 2.296 2.216 2.355 . 0 0 "[ . 1 .]" 1
379 1 26 ARG HB2 1 26 ARG HD2 2.726 . 3.655 3.364 2.744 3.755 0.100 15 0 "[ . 1 .]" 1
380 1 26 ARG HB2 1 26 ARG HD3 3.195 . 4.471 3.211 2.492 3.674 . 0 0 "[ . 1 .]" 1
381 1 26 ARG HB2 1 27 ASP H 2.862 . 3.886 3.927 3.739 4.076 0.190 9 0 "[ . 1 .]" 1
382 1 26 ARG HB3 1 26 ARG HD2 2.399 . 3.119 2.992 2.515 3.702 0.583 5 5 "[ + * *1-* .]" 1
383 1 26 ARG HB3 1 26 ARG HD3 2.954 . 4.044 3.252 2.817 3.743 . 0 0 "[ . 1 .]" 1
384 1 26 ARG HB3 1 27 ASP H 2.916 . 3.979 3.114 2.552 3.875 . 0 0 "[ . 1 .]" 1
385 1 26 ARG HD2 1 26 ARG HG2 2.472 . 3.236 3.000 2.992 3.008 . 0 0 "[ . 1 .]" 1
386 1 26 ARG HD2 1 26 ARG HG3 2.309 . 2.975 2.440 2.335 2.561 . 0 0 "[ . 1 .]" 1
387 1 27 ASP H 1 27 ASP HA 2.525 . 3.322 2.785 2.744 2.818 . 0 0 "[ . 1 .]" 1
388 1 27 ASP H 1 27 ASP HB2 2.701 . 3.613 3.513 2.720 3.639 0.026 2 0 "[ . 1 .]" 1
389 1 27 ASP H 1 27 ASP HB3 2.491 . 3.267 2.730 2.501 3.624 0.357 14 0 "[ . 1 .]" 1
390 1 27 ASP HA 1 27 ASP HB2 2.342 . 3.028 2.534 2.407 3.011 . 0 0 "[ . 1 .]" 1
391 1 27 ASP HA 1 27 ASP HB3 2.622 . 3.481 2.410 2.337 2.477 . 0 0 "[ . 1 .]" 1
392 1 27 ASP HA 1 28 GLY H 2.007 . 2.510 2.130 2.081 2.193 . 0 0 "[ . 1 .]" 1
393 1 27 ASP HB2 1 28 GLY H 2.590 . 3.429 3.174 2.937 4.009 0.580 14 2 "[- . 1 +.]" 1
394 1 27 ASP HB3 1 28 GLY H 2.861 . 3.884 3.924 3.139 4.080 0.196 13 0 "[ . 1 .]" 1
395 1 28 GLY H 1 28 GLY HA2 2.238 . 2.864 2.290 2.281 2.317 . 0 0 "[ . 1 .]" 1
396 1 28 GLY H 1 28 GLY HA3 2.246 . 2.877 2.839 2.810 2.897 0.020 8 0 "[ . 1 .]" 1
397 1 28 GLY HA2 1 29 ASP H 2.240 . 2.867 2.942 2.875 3.010 0.143 9 0 "[ . 1 .]" 1
398 1 28 GLY HA3 1 29 ASP H 2.752 . 3.699 3.477 3.429 3.522 . 0 0 "[ . 1 .]" 1
399 1 29 ASP H 1 29 ASP HB3 2.395 . 3.112 2.755 2.495 3.313 0.201 9 0 "[ . 1 .]" 1
400 1 29 ASP HA 1 29 ASP HB3 2.297 . 2.957 2.980 2.825 3.025 0.068 4 0 "[ . 1 .]" 1
401 1 29 ASP HA 1 30 ILE H 2.202 . 2.808 2.310 2.258 2.372 . 0 0 "[ . 1 .]" 1
402 1 29 ASP HB3 1 30 ILE H 2.941 . 4.023 3.593 2.995 3.880 . 0 0 "[ . 1 .]" 1
403 1 30 ILE H 1 30 ILE HA 2.626 . 3.488 2.933 2.925 2.940 . 0 0 "[ . 1 .]" 1
404 1 30 ILE H 1 30 ILE HB 2.250 . 2.883 2.527 2.470 2.585 . 0 0 "[ . 1 .]" 1
405 1 30 ILE H 1 30 ILE MD 2.744 . 3.685 2.237 2.189 2.289 . 0 0 "[ . 1 .]" 1
406 1 30 ILE H 1 30 ILE HG12 2.997 . 4.120 4.163 4.131 4.197 0.077 6 0 "[ . 1 .]" 1
407 1 30 ILE H 1 30 ILE HG13 2.775 . 3.737 3.780 3.747 3.811 0.074 6 0 "[ . 1 .]" 1
408 1 30 ILE H 1 30 ILE MG 3.125 . 4.346 3.799 3.761 3.828 . 0 0 "[ . 1 .]" 1
409 1 30 ILE H 1 47 ARG QD 2.976 . 3.316 2.805 2.514 3.241 . 0 0 "[ . 1 .]" 1
410 1 30 ILE H 1 47 ARG QG 2.601 . 3.446 3.168 1.652 3.474 0.104 9 0 "[ . 1 .]" 1
411 1 30 ILE HA 1 30 ILE MD 2.463 . 3.222 2.962 2.917 3.006 . 0 0 "[ . 1 .]" 1
412 1 30 ILE HA 1 30 ILE HG12 2.712 . 3.631 3.658 3.642 3.670 0.039 4 0 "[ . 1 .]" 1
413 1 30 ILE HA 1 30 ILE HG13 2.383 . 3.093 2.424 2.402 2.442 . 0 0 "[ . 1 .]" 1
414 1 30 ILE HA 1 30 ILE MG 2.381 . 3.090 2.473 2.439 2.493 . 0 0 "[ . 1 .]" 1
415 1 30 ILE HA 1 31 VAL H 2.091 . 2.637 2.182 2.128 2.286 . 0 0 "[ . 1 .]" 1
416 1 30 ILE HA 1 31 VAL MG1 2.989 . 4.105 3.569 3.516 3.646 . 0 0 "[ . 1 .]" 1
417 1 30 ILE HB 1 30 ILE MD 2.408 . 3.133 2.374 2.361 2.391 . 0 0 "[ . 1 .]" 1
418 1 30 ILE HB 1 30 ILE HG12 2.649 . 3.526 2.522 2.511 2.537 . 0 0 "[ . 1 .]" 1
419 1 30 ILE HB 1 30 ILE MG 1.972 . 2.458 2.127 2.121 2.133 . 0 0 "[ . 1 .]" 1
420 1 30 ILE MD 1 30 ILE HG12 2.294 . 2.952 2.108 2.104 2.111 . 0 0 "[ . 1 .]" 1
421 1 30 ILE MD 1 30 ILE HG13 1.926 . 2.390 2.111 2.108 2.114 . 0 0 "[ . 1 .]" 1
422 1 30 ILE HG12 1 30 ILE MG 2.693 . 3.600 2.272 2.252 2.290 . 0 0 "[ . 1 .]" 1
423 1 30 ILE HG13 1 31 VAL H 3.135 . 4.364 4.204 4.145 4.254 . 0 0 "[ . 1 .]" 1
424 1 30 ILE MG 1 31 VAL H 2.281 . 2.932 2.483 2.243 2.690 . 0 0 "[ . 1 .]" 1
425 1 30 ILE MG 1 47 ARG QD 2.605 . 3.453 2.982 2.266 3.254 . 0 0 "[ . 1 .]" 1
426 1 31 VAL H 1 31 VAL HB 2.709 . 3.627 3.110 2.996 3.194 . 0 0 "[ . 1 .]" 1
427 1 31 VAL H 1 31 VAL MG1 2.258 . 2.895 2.024 1.961 2.154 . 0 0 "[ . 1 .]" 1
428 1 31 VAL HA 1 31 VAL HB 2.661 . 3.546 2.397 2.364 2.445 . 0 0 "[ . 1 .]" 1
429 1 31 VAL HA 1 32 ASP H 2.409 . 3.135 2.111 2.048 2.203 . 0 0 "[ . 1 .]" 1
430 1 31 VAL HB 1 31 VAL MG1 2.083 . 2.626 2.127 2.122 2.131 . 0 0 "[ . 1 .]" 1
431 1 31 VAL HB 1 32 ASP H 2.869 . 3.898 3.988 3.948 4.044 0.146 3 0 "[ . 1 .]" 1
432 1 31 VAL MG2 1 32 ASP H 2.904 . 3.958 2.443 2.204 2.662 . 0 0 "[ . 1 .]" 1
433 1 32 ASP H 1 32 ASP HA 2.408 . 3.133 2.940 2.935 2.946 . 0 0 "[ . 1 .]" 1
434 1 32 ASP H 1 32 ASP QB 2.327 . 3.004 2.489 2.415 2.574 . 0 0 "[ . 1 .]" 1
435 1 32 ASP H 1 33 VAL H 3.061 . 4.232 4.254 4.149 4.320 0.088 11 0 "[ . 1 .]" 1
436 1 32 ASP H 1 45 THR H 2.631 . 3.496 2.452 2.115 3.311 . 0 0 "[ . 1 .]" 1
437 1 32 ASP HA 1 32 ASP QB 2.300 . 2.961 2.394 2.184 2.476 . 0 0 "[ . 1 .]" 1
438 1 32 ASP HA 1 33 VAL H 2.021 . 2.532 2.160 2.140 2.195 . 0 0 "[ . 1 .]" 1
439 1 32 ASP HA 1 33 VAL MG1 2.741 . 3.680 3.357 3.291 3.413 . 0 0 "[ . 1 .]" 1
440 1 32 ASP QB 1 33 VAL H 3.366 . 4.783 3.428 3.091 3.912 . 0 0 "[ . 1 .]" 1
441 1 32 ASP QB 1 45 THR HB 2.573 . 3.400 3.411 3.358 3.560 0.160 2 0 "[ . 1 .]" 1
442 1 33 VAL H 1 33 VAL HB 2.375 . 3.080 3.165 3.106 3.203 0.123 9 0 "[ . 1 .]" 1
443 1 33 VAL H 1 33 VAL MG1 2.272 . 2.917 1.776 1.703 1.822 . 0 0 "[ . 1 .]" 1
444 1 33 VAL H 1 33 VAL MG2 3.263 . 4.594 3.580 3.531 3.635 . 0 0 "[ . 1 .]" 1
445 1 33 VAL HA 1 33 VAL HB 2.653 . 3.533 2.214 2.194 2.240 . 0 0 "[ . 1 .]" 1
446 1 33 VAL HA 1 33 VAL MG1 2.584 . 3.419 3.073 3.044 3.105 . 0 0 "[ . 1 .]" 1
447 1 33 VAL HA 1 33 VAL MG2 2.518 . 3.311 2.746 2.689 2.806 . 0 0 "[ . 1 .]" 1
448 1 33 VAL HA 1 34 MET H 2.093 . 2.641 2.020 1.993 2.043 . 0 0 "[ . 1 .]" 1
449 1 33 VAL HA 1 34 MET QG 3.219 . 4.514 3.830 3.601 4.065 . 0 0 "[ . 1 .]" 1
450 1 33 VAL HA 1 35 GLU H 2.673 . 3.566 3.692 3.589 3.758 0.192 15 0 "[ . 1 .]" 1
451 1 33 VAL HA 1 44 GLY HA2 2.250 . 2.883 2.685 2.293 2.947 0.064 2 0 "[ . 1 .]" 1
452 1 33 VAL HB 1 33 VAL MG1 2.153 . 2.732 2.078 2.071 2.089 . 0 0 "[ . 1 .]" 1
453 1 33 VAL HB 1 33 VAL MG2 2.154 . 2.734 2.112 2.106 2.115 . 0 0 "[ . 1 .]" 1
454 1 33 VAL MG1 1 33 VAL MG2 3.003 . 4.130 2.038 2.013 2.053 . 0 0 "[ . 1 .]" 1
455 1 33 VAL MG1 1 42 PHE HB2 2.841 . 3.850 3.631 3.564 3.670 . 0 0 "[ . 1 .]" 1
456 1 33 VAL MG1 1 42 PHE HB3 2.935 . 4.012 3.316 3.234 3.399 . 0 0 "[ . 1 .]" 1
457 1 33 VAL MG2 1 34 MET H 2.397 . 3.115 2.922 2.893 2.956 . 0 0 "[ . 1 .]" 1
458 1 33 VAL MG2 1 35 GLU H 2.473 . 3.238 2.414 2.231 2.611 . 0 0 "[ . 1 .]" 1
459 1 33 VAL MG2 1 36 LYS HG2 2.816 . 3.807 2.518 1.848 3.616 . 0 0 "[ . 1 .]" 1
460 1 33 VAL MG2 1 42 PHE HA 2.992 . 4.111 3.358 3.264 3.548 . 0 0 "[ . 1 .]" 1
461 1 33 VAL MG2 1 42 PHE HB2 2.565 . 3.388 3.186 3.137 3.232 . 0 0 "[ . 1 .]" 1
462 1 33 VAL MG2 1 42 PHE HB3 2.398 . 3.117 1.890 1.843 1.954 . 0 0 "[ . 1 .]" 1
463 1 33 VAL MG2 1 43 VAL H 2.699 . 3.609 2.572 2.302 2.801 . 0 0 "[ . 1 .]" 1
464 1 34 MET H 1 34 MET HA 2.756 . 3.705 2.892 2.878 2.913 . 0 0 "[ . 1 .]" 1
465 1 34 MET H 1 34 MET HB2 2.481 . 3.250 2.377 2.305 2.456 . 0 0 "[ . 1 .]" 1
466 1 34 MET H 1 34 MET QG 2.723 . 3.650 2.557 2.417 2.747 . 0 0 "[ . 1 .]" 1
467 1 34 MET H 1 35 GLU H 2.457 . 3.211 2.309 2.179 2.379 . 0 0 "[ . 1 .]" 1
468 1 34 MET H 1 43 VAL H 3.842 . 5.687 3.396 3.250 3.595 . 0 0 "[ . 1 .]" 1
469 1 34 MET H 1 43 VAL HB 3.121 . 4.338 2.406 1.988 2.579 . 0 0 "[ . 1 .]" 1
470 1 34 MET H 1 44 GLY HA2 2.607 . 3.456 3.077 2.645 3.472 0.016 10 0 "[ . 1 .]" 1
471 1 34 MET HA 1 34 MET HB2 2.360 . 3.056 3.027 3.016 3.036 . 0 0 "[ . 1 .]" 1
472 1 34 MET HA 1 34 MET QG 2.290 . 2.945 2.797 2.275 2.888 . 0 0 "[ . 1 .]" 1
473 1 34 MET HA 1 35 GLU H 4.106 . 6.214 3.508 3.455 3.535 . 0 0 "[ . 1 .]" 1
474 1 34 MET HB2 1 34 MET QG 2.168 . 2.756 2.182 2.148 2.381 . 0 0 "[ . 1 .]" 1
475 1 34 MET HB2 1 35 GLU H 2.556 . 3.373 2.730 2.509 2.934 . 0 0 "[ . 1 .]" 1
476 1 34 MET HB2 1 43 VAL MG1 2.114 . 2.673 2.521 2.436 2.568 . 0 0 "[ . 1 .]" 1
477 1 34 MET HB2 1 44 GLY HA2 3.348 . 4.750 4.405 4.182 4.704 . 0 0 "[ . 1 .]" 1
478 1 34 MET QG 1 43 VAL HB 2.744 . 3.685 3.369 3.175 3.578 . 0 0 "[ . 1 .]" 1
479 1 34 MET QG 1 43 VAL MG1 2.785 . 3.754 3.063 2.807 3.516 . 0 0 "[ . 1 .]" 1
480 1 34 MET QG 1 44 GLY HA2 3.052 . 4.217 3.126 2.752 3.653 . 0 0 "[ . 1 .]" 1
481 1 35 GLU H 1 35 GLU HA 2.490 . 3.265 2.904 2.872 2.925 . 0 0 "[ . 1 .]" 1
482 1 35 GLU H 1 35 GLU HB3 2.554 . 3.370 3.014 2.873 3.471 0.101 4 0 "[ . 1 .]" 1
483 1 35 GLU H 1 36 LYS H 3.786 . 5.578 4.289 4.237 4.334 . 0 0 "[ . 1 .]" 1
484 1 35 GLU H 1 43 VAL H 2.756 . 3.706 2.435 2.320 2.572 . 0 0 "[ . 1 .]" 1
485 1 35 GLU H 1 43 VAL HB 2.547 . 3.358 2.146 1.983 2.393 . 0 0 "[ . 1 .]" 1
486 1 35 GLU H 1 43 VAL MG2 2.729 . 3.660 2.356 2.117 2.985 . 0 0 "[ . 1 .]" 1
487 1 35 GLU HA 1 35 GLU HB3 2.351 . 3.042 3.009 2.873 3.028 . 0 0 "[ . 1 .]" 1
488 1 35 GLU HA 1 35 GLU HG3 2.280 . 2.930 2.757 2.339 3.537 0.607 4 1 "[ +. 1 .]" 1
489 1 35 GLU HA 1 36 LYS H 1.761 . 2.149 2.228 2.177 2.281 0.132 2 0 "[ . 1 .]" 1
490 1 35 GLU HB3 1 35 GLU HG3 2.104 . 2.657 2.744 2.423 3.010 0.353 1 0 "[ . 1 .]" 1
491 1 35 GLU HB3 1 36 LYS H 3.125 . 4.346 3.759 2.903 3.989 . 0 0 "[ . 1 .]" 1
492 1 35 GLU HB3 1 43 VAL MG2 3.040 . 4.195 1.790 1.437 2.418 0.448 14 0 "[ . 1 .]" 1
493 1 35 GLU HG3 1 36 LYS H 2.528 . 3.327 2.800 2.270 3.994 0.667 4 1 "[ +. 1 .]" 1
494 1 36 LYS H 1 36 LYS QB 2.389 . 3.102 2.649 2.446 3.030 . 0 0 "[ . 1 .]" 1
495 1 36 LYS H 1 36 LYS HG2 2.968 . 4.069 3.713 3.423 4.011 . 0 0 "[ . 1 .]" 1
496 1 36 LYS H 1 36 LYS HG3 2.554 . 3.370 2.457 1.906 2.945 . 0 0 "[ . 1 .]" 1
497 1 36 LYS HA 1 36 LYS QB 2.310 . 2.977 2.289 2.147 2.386 . 0 0 "[ . 1 .]" 1
498 1 36 LYS HA 1 36 LYS HG2 3.173 . 4.432 3.053 2.492 4.117 . 0 0 "[ . 1 .]" 1
499 1 36 LYS HA 1 37 CYS H 2.280 . 2.930 2.157 2.103 2.191 . 0 0 "[ . 1 .]" 1
500 1 36 LYS HA 1 42 PHE HA 2.277 . 2.925 2.567 2.299 2.859 . 0 0 "[ . 1 .]" 1
501 1 36 LYS HA 1 42 PHE HD1 2.649 . 3.526 1.944 1.733 2.184 0.039 1 0 "[ . 1 .]" 1
502 1 36 LYS HA 1 43 VAL H 2.785 . 3.754 3.725 3.593 3.843 0.089 5 0 "[ . 1 .]" 1
503 1 36 LYS QB 1 36 LYS HD3 2.133 . 2.702 2.790 2.257 3.290 0.588 4 7 "[ **+.* * *- .]" 1
504 1 36 LYS QB 1 36 LYS HE2 3.203 . 4.486 3.526 2.849 4.008 . 0 0 "[ . 1 .]" 1
505 1 36 LYS QB 1 36 LYS HE3 3.025 . 4.169 3.021 1.827 4.168 0.054 4 0 "[ . 1 .]" 1
506 1 36 LYS QB 1 36 LYS HG2 2.403 . 3.125 2.257 2.133 2.369 . 0 0 "[ . 1 .]" 1
507 1 36 LYS QB 1 36 LYS HG3 2.162 . 2.746 2.390 2.295 2.471 . 0 0 "[ . 1 .]" 1
508 1 36 LYS QB 1 37 CYS H 3.056 . 4.224 3.261 3.126 3.507 . 0 0 "[ . 1 .]" 1
509 1 36 LYS HD3 1 36 LYS HE2 2.411 . 3.138 2.430 2.343 2.494 . 0 0 "[ . 1 .]" 1
510 1 36 LYS HD3 1 36 LYS HE3 2.404 . 3.126 3.012 3.000 3.020 . 0 0 "[ . 1 .]" 1
511 1 36 LYS HD3 1 36 LYS HG2 2.381 . 3.090 2.414 2.344 2.474 . 0 0 "[ . 1 .]" 1
512 1 36 LYS HD3 1 36 LYS HG3 2.376 . 3.081 2.779 2.470 3.020 . 0 0 "[ . 1 .]" 1
513 1 36 LYS HE2 1 36 LYS HG2 2.753 . 3.700 3.073 2.423 3.726 0.026 11 0 "[ . 1 .]" 1
514 1 36 LYS HE2 1 36 LYS HG3 2.468 . 3.229 2.785 2.444 3.233 0.004 7 0 "[ . 1 .]" 1
515 1 36 LYS HE3 1 36 LYS HG2 2.961 . 4.057 3.377 2.869 3.741 . 0 0 "[ . 1 .]" 1
516 1 36 LYS HE3 1 36 LYS HG3 2.487 . 3.260 2.684 2.391 3.075 . 0 0 "[ . 1 .]" 1
517 1 37 CYS H 1 37 CYS HA 2.427 . 3.164 2.911 2.881 2.946 . 0 0 "[ . 1 .]" 1
518 1 37 CYS H 1 37 CYS HB2 2.609 . 3.460 2.542 2.362 2.791 . 0 0 "[ . 1 .]" 1
519 1 37 CYS H 1 37 CYS HB3 2.890 . 3.934 3.565 2.439 3.718 . 0 0 "[ . 1 .]" 1
520 1 37 CYS H 1 42 PHE HA 2.430 . 3.168 2.666 2.428 2.913 . 0 0 "[ . 1 .]" 1
521 1 37 CYS HA 1 37 CYS HB2 2.434 . 3.174 2.991 2.419 3.038 . 0 0 "[ . 1 .]" 1
522 1 37 CYS HA 1 37 CYS HB3 2.054 . 2.581 2.492 2.411 3.026 0.445 5 0 "[ . 1 .]" 1
523 1 37 CYS HA 1 38 ASP H 2.565 . 3.388 2.194 2.133 2.271 . 0 0 "[ . 1 .]" 1
524 1 37 CYS HB2 1 38 ASP H 3.110 . 4.319 4.002 3.790 4.164 . 0 0 "[ . 1 .]" 1
525 1 37 CYS HB2 1 39 ASP H 2.634 . 3.501 3.477 3.131 4.155 0.654 5 1 "[ + 1 .]" 1
526 1 37 CYS HB2 1 40 GLY H 3.187 . 4.457 3.492 2.851 4.423 . 0 0 "[ . 1 .]" 1
527 1 37 CYS HB2 1 41 TRP H 1.900 . 2.351 2.426 2.070 2.721 0.370 5 0 "[ . 1 .]" 1
528 1 37 CYS HB3 1 38 ASP H 2.744 . 3.685 3.132 2.788 3.864 0.179 5 0 "[ . 1 .]" 1
529 1 37 CYS HB3 1 39 ASP H 2.940 . 4.021 2.891 2.408 3.328 . 0 0 "[ . 1 .]" 1
530 1 37 CYS HB3 1 40 GLY H 3.125 . 4.346 4.075 2.831 4.469 0.123 3 0 "[ . 1 .]" 1
531 1 37 CYS HB3 1 41 TRP H 3.817 . 5.638 3.547 2.095 4.025 . 0 0 "[ . 1 .]" 1
532 1 38 ASP H 1 38 ASP HA 2.901 . 3.953 2.812 2.774 2.848 . 0 0 "[ . 1 .]" 1
533 1 38 ASP H 1 38 ASP QB 2.631 . 3.496 2.360 2.224 2.596 . 0 0 "[ . 1 .]" 1
534 1 38 ASP H 1 39 ASP H 3.183 . 4.449 2.654 2.540 2.748 . 0 0 "[ . 1 .]" 1
535 1 38 ASP HA 1 38 ASP QB 2.292 . 2.949 2.365 2.168 2.427 . 0 0 "[ . 1 .]" 1
536 1 38 ASP HA 1 39 ASP H 2.908 . 3.965 3.403 3.315 3.468 . 0 0 "[ . 1 .]" 1
537 1 38 ASP QB 1 39 ASP H 2.609 . 3.460 3.104 2.923 3.430 . 0 0 "[ . 1 .]" 1
538 1 39 ASP H 1 39 ASP HA 2.522 . 3.317 2.852 2.772 2.914 . 0 0 "[ . 1 .]" 1
539 1 39 ASP H 1 40 GLY H 2.568 . 3.392 2.769 2.475 3.353 . 0 0 "[ . 1 .]" 1
540 1 39 ASP HA 1 39 ASP HB2 2.322 . 2.996 2.600 2.452 3.022 0.026 2 0 "[ . 1 .]" 1
541 1 39 ASP HA 1 39 ASP HB3 2.197 . 2.800 2.869 2.412 3.028 0.228 5 0 "[ . 1 .]" 1
542 1 39 ASP HA 1 40 GLY H 2.709 . 3.627 3.088 2.321 3.580 . 0 0 "[ . 1 .]" 1
543 1 39 ASP HB2 1 40 GLY H 3.907 . 5.815 4.079 2.804 4.689 . 0 0 "[ . 1 .]" 1
544 1 40 GLY H 1 40 GLY HA2 2.379 . 3.086 2.546 2.402 2.819 . 0 0 "[ . 1 .]" 1
545 1 40 GLY H 1 40 GLY HA3 2.328 . 3.005 2.930 2.787 2.960 . 0 0 "[ . 1 .]" 1
546 1 40 GLY H 1 41 TRP H 2.550 . 3.363 2.481 1.853 3.411 0.048 10 0 "[ . 1 .]" 1
547 1 40 GLY HA3 1 41 TRP H 3.259 . 4.587 3.002 2.262 3.386 . 0 0 "[ . 1 .]" 1
548 1 41 TRP H 1 41 TRP HA 2.793 . 3.768 2.929 2.890 2.952 . 0 0 "[ . 1 .]" 1
549 1 41 TRP H 1 41 TRP HB2 2.861 . 3.884 2.860 2.347 3.791 . 0 0 "[ . 1 .]" 1
550 1 41 TRP H 1 41 TRP HB3 2.488 . 3.262 3.547 3.192 3.716 0.454 6 0 "[ . 1 .]" 1
551 1 41 TRP H 1 41 TRP HD1 2.612 . 3.465 2.756 2.312 3.594 0.129 1 0 "[ . 1 .]" 1
552 1 41 TRP HA 1 41 TRP HB2 2.544 . 3.353 2.888 2.512 3.035 . 0 0 "[ . 1 .]" 1
553 1 41 TRP HA 1 41 TRP HB3 2.926 . 3.996 2.441 2.264 2.551 . 0 0 "[ . 1 .]" 1
554 1 41 TRP HA 1 42 PHE H 2.202 . 2.808 2.296 2.193 2.467 . 0 0 "[ . 1 .]" 1
555 1 41 TRP HA 1 56 PRO HA 2.327 . 3.004 2.358 1.928 2.712 . 0 0 "[ . 1 .]" 1
556 1 41 TRP HA 1 57 GLY H 2.194 . 2.796 2.247 1.664 2.814 0.018 6 0 "[ . 1 .]" 1
557 1 41 TRP HB2 1 41 TRP HD1 2.795 . 3.771 3.006 2.516 3.314 . 0 0 "[ . 1 .]" 1
558 1 41 TRP HB2 1 42 PHE H 2.941 . 4.023 3.581 2.317 4.316 0.293 13 0 "[ . 1 .]" 1
559 1 41 TRP HB3 1 42 PHE H 3.460 . 4.956 3.224 2.718 3.778 . 0 0 "[ . 1 .]" 1
560 1 42 PHE H 1 42 PHE HA 2.328 . 3.005 2.940 2.932 2.948 . 0 0 "[ . 1 .]" 1
561 1 42 PHE H 1 42 PHE HB2 2.581 . 3.413 2.897 2.830 2.962 . 0 0 "[ . 1 .]" 1
562 1 42 PHE H 1 42 PHE HB3 2.793 . 3.768 3.828 3.801 3.850 0.082 2 0 "[ . 1 .]" 1
563 1 42 PHE H 1 42 PHE HD1 2.945 . 4.029 4.098 4.056 4.140 0.111 10 0 "[ . 1 .]" 1
564 1 42 PHE H 1 55 PHE H 2.919 . 3.984 3.611 3.399 3.876 . 0 0 "[ . 1 .]" 1
565 1 42 PHE H 1 57 GLY H 2.453 . 3.205 3.245 3.211 3.299 0.094 6 0 "[ . 1 .]" 1
566 1 42 PHE H 1 57 GLY HA2 3.255 . 4.580 4.224 3.823 4.792 0.212 7 0 "[ . 1 .]" 1
567 1 42 PHE HA 1 42 PHE HB2 2.451 . 3.202 3.026 3.016 3.037 . 0 0 "[ . 1 .]" 1
568 1 42 PHE HA 1 42 PHE HB3 2.537 . 3.341 2.353 2.325 2.384 . 0 0 "[ . 1 .]" 1
569 1 42 PHE HA 1 42 PHE HD1 2.565 . 3.388 2.494 2.370 2.606 . 0 0 "[ . 1 .]" 1
570 1 42 PHE HA 1 43 VAL H 2.258 . 2.895 2.388 2.312 2.462 . 0 0 "[ . 1 .]" 1
571 1 42 PHE HA 1 43 VAL MG2 3.031 . 4.179 3.445 3.324 3.542 . 0 0 "[ . 1 .]" 1
572 1 42 PHE HB2 1 42 PHE HD1 2.765 . 3.721 3.728 3.720 3.736 0.015 11 0 "[ . 1 .]" 1
573 1 42 PHE HB2 1 43 VAL H 2.619 . 3.477 3.401 3.245 3.518 0.041 9 0 "[ . 1 .]" 1
574 1 42 PHE HB3 1 42 PHE HD1 2.762 . 3.716 2.734 2.671 2.817 . 0 0 "[ . 1 .]" 1
575 1 42 PHE HB3 1 43 VAL H 2.738 . 3.675 2.625 2.462 2.711 . 0 0 "[ . 1 .]" 1
576 1 42 PHE HD1 1 43 VAL H 3.188 . 4.459 4.354 4.246 4.461 0.002 6 0 "[ . 1 .]" 1
577 1 43 VAL H 1 43 VAL MG2 2.712 . 3.631 2.076 2.046 2.117 . 0 0 "[ . 1 .]" 1
578 1 43 VAL HA 1 43 VAL HB 2.768 . 3.726 2.999 2.987 3.018 . 0 0 "[ . 1 .]" 1
579 1 43 VAL HA 1 43 VAL MG1 2.461 . 3.218 2.237 2.188 2.310 . 0 0 "[ . 1 .]" 1
580 1 43 VAL HA 1 43 VAL MG2 2.526 . 3.324 2.567 2.493 2.613 . 0 0 "[ . 1 .]" 1
581 1 43 VAL HA 1 44 GLY H 2.391 . 3.106 2.421 2.360 2.534 . 0 0 "[ . 1 .]" 1
582 1 43 VAL HA 1 54 THR HA 2.290 . 2.945 1.713 1.561 1.842 0.074 13 0 "[ . 1 .]" 1
583 1 43 VAL HB 1 43 VAL MG1 1.969 . 2.454 2.110 2.098 2.119 . 0 0 "[ . 1 .]" 1
584 1 43 VAL HB 1 43 VAL MG2 2.303 . 2.966 2.112 2.089 2.120 . 0 0 "[ . 1 .]" 1
585 1 43 VAL HB 1 44 GLY H 2.440 . 3.184 3.353 3.256 3.432 0.248 13 0 "[ . 1 .]" 1
586 1 43 VAL MG1 1 44 GLY H 2.248 . 2.880 1.971 1.778 2.134 . 0 0 "[ . 1 .]" 1
587 1 43 VAL MG1 1 54 THR HA 2.931 . 4.005 2.730 2.612 2.863 . 0 0 "[ . 1 .]" 1
588 1 43 VAL MG1 1 54 THR HB 2.750 . 3.695 2.059 1.972 2.185 . 0 0 "[ . 1 .]" 1
589 1 43 VAL MG2 1 54 THR HA 2.886 . 3.927 3.672 3.449 3.771 . 0 0 "[ . 1 .]" 1
590 1 43 VAL MG2 1 54 THR HB 2.112 . 2.670 2.400 1.814 2.654 . 0 0 "[ . 1 .]" 1
591 1 44 GLY H 1 44 GLY HA2 2.462 . 3.220 2.904 2.878 2.929 . 0 0 "[ . 1 .]" 1
592 1 44 GLY H 1 53 GLY H 2.701 . 3.613 3.229 3.033 3.372 . 0 0 "[ . 1 .]" 1
593 1 44 GLY H 1 54 THR HA 2.935 . 4.012 2.753 2.608 2.920 . 0 0 "[ . 1 .]" 1
594 1 44 GLY H 1 54 THR HB 2.935 . 4.012 4.061 4.010 4.133 0.121 1 0 "[ . 1 .]" 1
595 1 44 GLY HA2 1 45 THR H 2.192 . 2.793 2.259 2.230 2.280 . 0 0 "[ . 1 .]" 1
596 1 45 THR H 1 45 THR HB 2.345 . 3.033 2.743 2.662 2.811 . 0 0 "[ . 1 .]" 1
597 1 45 THR HA 1 45 THR HB 2.413 . 3.141 3.025 3.013 3.039 . 0 0 "[ . 1 .]" 1
598 1 45 THR HA 1 45 THR MG 2.462 . 3.220 2.323 2.274 2.390 . 0 0 "[ . 1 .]" 1
599 1 45 THR HA 1 46 SER H 2.301 . 2.963 2.182 2.165 2.225 . 0 0 "[ . 1 .]" 1
600 1 45 THR HA 1 53 GLY H 2.285 . 2.938 3.087 3.056 3.136 0.198 15 0 "[ . 1 .]" 1
601 1 45 THR HB 1 45 THR MG 2.007 . 2.510 2.129 2.123 2.138 . 0 0 "[ . 1 .]" 1
602 1 45 THR MG 1 46 SER H 2.289 . 2.944 2.571 2.339 2.666 . 0 0 "[ . 1 .]" 1
603 1 45 THR MG 1 50 LYS HA 2.567 . 3.391 2.794 2.213 3.260 . 0 0 "[ . 1 .]" 1
604 1 45 THR MG 1 51 GLN H 2.873 . 3.905 3.604 3.288 3.765 . 0 0 "[ . 1 .]" 1
605 1 45 THR MG 1 52 PHE HA 2.908 . 3.446 2.988 2.868 3.087 . 0 0 "[ . 1 .]" 1
606 1 46 SER H 1 46 SER HA 2.938 . 4.017 2.884 2.871 2.910 . 0 0 "[ . 1 .]" 1
607 1 46 SER H 1 46 SER HB2 2.577 . 3.407 2.709 2.292 2.871 . 0 0 "[ . 1 .]" 1
608 1 46 SER H 1 46 SER HB3 2.394 . 3.110 2.506 2.302 3.549 0.439 15 0 "[ . 1 .]" 1
609 1 46 SER H 1 51 GLN H 2.771 . 3.731 3.341 3.007 3.637 . 0 0 "[ . 1 .]" 1
610 1 46 SER HA 1 46 SER HB2 2.261 . 2.900 2.466 2.362 3.008 0.108 15 0 "[ . 1 .]" 1
611 1 46 SER HA 1 46 SER HB3 2.367 . 3.067 2.991 2.552 3.030 . 0 0 "[ . 1 .]" 1
612 1 46 SER HA 1 47 ARG H 2.441 . 3.186 2.155 2.067 2.203 . 0 0 "[ . 1 .]" 1
613 1 46 SER HA 1 48 ARG H 2.802 . 3.784 3.665 3.501 3.888 0.104 9 0 "[ . 1 .]" 1
614 1 46 SER HB2 1 47 ARG H 3.484 . 5.001 4.085 3.981 4.196 . 0 0 "[ . 1 .]" 1
615 1 46 SER HB2 1 48 ARG H 3.004 . 4.132 4.143 3.548 4.573 0.441 9 0 "[ . 1 .]" 1
616 1 46 SER HB2 1 51 GLN H 3.471 . 4.977 4.230 3.202 4.840 . 0 0 "[ . 1 .]" 1
617 1 46 SER HB3 1 49 THR H 2.975 . 4.082 3.252 2.853 3.939 . 0 0 "[ . 1 .]" 1
618 1 47 ARG H 1 47 ARG HA 2.663 . 3.549 2.834 2.780 2.873 . 0 0 "[ . 1 .]" 1
619 1 47 ARG H 1 47 ARG HB2 2.704 . 3.618 2.254 2.083 2.609 . 0 0 "[ . 1 .]" 1
620 1 47 ARG H 1 47 ARG QG 2.903 . 3.794 3.227 2.062 3.564 . 0 0 "[ . 1 .]" 1
621 1 47 ARG H 1 48 ARG H 2.638 . 3.508 2.571 2.333 2.749 . 0 0 "[ . 1 .]" 1
622 1 47 ARG HA 1 47 ARG HB2 2.285 . 2.937 2.980 2.946 3.011 0.074 11 0 "[ . 1 .]" 1
623 1 47 ARG HA 1 47 ARG QD 2.454 . 3.207 2.607 2.207 4.096 0.889 12 1 "[ . 1 + .]" 1
624 1 47 ARG HA 1 47 ARG QG 2.043 . 2.565 2.467 2.386 2.871 0.306 9 0 "[ . 1 .]" 1
625 1 47 ARG HA 1 48 ARG H 2.482 . 3.252 3.336 3.087 3.424 0.172 7 0 "[ . 1 .]" 1
626 1 47 ARG HB2 1 47 ARG QD 2.562 . 3.009 2.659 2.422 3.341 0.332 9 0 "[ . 1 .]" 1
627 1 47 ARG QD 1 47 ARG QG 2.039 . 2.559 2.050 1.961 2.085 . 0 0 "[ . 1 .]" 1
628 1 48 ARG H 1 48 ARG QB 1.859 . 2.291 2.346 2.297 2.451 0.160 9 0 "[ . 1 .]" 1
629 1 48 ARG H 1 48 ARG HG3 2.458 . 3.213 2.705 2.274 3.257 0.044 15 0 "[ . 1 .]" 1
630 1 48 ARG H 1 49 THR H 2.635 . 3.503 2.751 2.425 3.144 . 0 0 "[ . 1 .]" 1
631 1 48 ARG H 1 49 THR MG 3.151 . 4.392 4.069 3.790 4.277 . 0 0 "[ . 1 .]" 1
632 1 48 ARG H 1 50 LYS H 2.938 . 4.017 3.438 3.172 3.906 . 0 0 "[ . 1 .]" 1
633 1 48 ARG HA 1 48 ARG HG3 2.723 . 3.650 3.115 2.664 3.812 0.162 15 0 "[ . 1 .]" 1
634 1 48 ARG HA 1 49 THR H 2.873 . 3.905 3.547 3.483 3.588 . 0 0 "[ . 1 .]" 1
635 1 48 ARG QB 1 48 ARG HD2 2.351 . 3.042 3.020 2.251 3.303 0.261 2 0 "[ . 1 .]" 1
636 1 48 ARG QB 1 48 ARG HD3 2.869 . 3.898 2.577 2.254 3.291 . 0 0 "[ . 1 .]" 1
637 1 48 ARG QB 1 49 THR H 2.812 . 3.800 2.242 1.784 3.383 0.067 1 0 "[ . 1 .]" 1
638 1 48 ARG HD2 1 48 ARG HG3 2.151 . 2.729 2.566 2.388 3.007 0.278 9 0 "[ . 1 .]" 1
639 1 48 ARG HD3 1 48 ARG HG3 2.143 . 2.717 2.477 2.298 2.977 0.260 4 0 "[ . 1 .]" 1
640 1 48 ARG HG3 1 49 THR H 3.152 . 4.394 3.972 2.077 4.452 0.058 14 0 "[ . 1 .]" 1
641 1 49 THR H 1 49 THR HA 2.453 . 3.205 2.913 2.864 2.947 . 0 0 "[ . 1 .]" 1
642 1 49 THR H 1 49 THR HB 2.362 . 3.059 2.897 2.580 3.248 0.189 15 0 "[ . 1 .]" 1
643 1 49 THR H 1 49 THR MG 2.261 . 2.900 1.978 1.640 2.222 . 0 0 "[ . 1 .]" 1
644 1 49 THR H 1 50 LYS H 2.327 . 3.004 2.339 2.002 2.543 . 0 0 "[ . 1 .]" 1
645 1 49 THR HA 1 49 THR MG 2.732 . 3.665 3.204 3.177 3.211 . 0 0 "[ . 1 .]" 1
646 1 49 THR HA 1 50 LYS H 2.574 . 3.402 3.173 3.023 3.332 . 0 0 "[ . 1 .]" 1
647 1 49 THR HB 1 49 THR MG 2.159 . 2.742 2.126 2.117 2.133 . 0 0 "[ . 1 .]" 1
648 1 49 THR MG 1 50 LYS H 2.740 . 3.679 3.167 2.864 3.398 . 0 0 "[ . 1 .]" 1
649 1 50 LYS H 1 50 LYS HA 2.135 . 2.705 2.261 2.245 2.270 . 0 0 "[ . 1 .]" 1
650 1 50 LYS H 1 50 LYS HB2 2.798 . 3.776 3.509 3.296 3.670 . 0 0 "[ . 1 .]" 1
651 1 50 LYS H 1 50 LYS HB3 4.064 . 6.129 4.011 3.933 4.057 . 0 0 "[ . 1 .]" 1
652 1 50 LYS H 1 50 LYS HD3 3.101 . 4.303 3.158 2.481 4.334 0.031 14 0 "[ . 1 .]" 1
653 1 50 LYS H 1 50 LYS HG2 3.108 . 4.315 2.884 2.527 4.446 0.131 13 0 "[ . 1 .]" 1
654 1 50 LYS H 1 50 LYS HG3 2.873 . 3.905 4.250 3.830 4.381 0.476 15 0 "[ . 1 .]" 1
655 1 50 LYS H 1 51 GLN H 2.632 . 3.498 2.783 2.672 2.924 . 0 0 "[ . 1 .]" 1
656 1 50 LYS HA 1 50 LYS HB2 2.619 . 3.477 3.013 2.977 3.022 . 0 0 "[ . 1 .]" 1
657 1 50 LYS HA 1 50 LYS HB3 2.015 . 2.523 2.470 2.388 2.588 0.065 13 0 "[ . 1 .]" 1
658 1 50 LYS HA 1 50 LYS HD3 2.619 . 3.477 2.539 2.000 3.585 0.108 13 0 "[ . 1 .]" 1
659 1 50 LYS HA 1 50 LYS HG2 2.830 . 3.831 3.092 2.645 3.632 . 0 0 "[ . 1 .]" 1
660 1 50 LYS HA 1 50 LYS HG3 3.011 . 4.144 3.661 2.461 3.841 . 0 0 "[ . 1 .]" 1
661 1 50 LYS HA 1 51 GLN H 2.580 . 3.412 2.883 2.755 2.958 . 0 0 "[ . 1 .]" 1
662 1 50 LYS HB2 1 50 LYS HG2 2.481 . 3.250 2.459 2.399 2.548 . 0 0 "[ . 1 .]" 1
663 1 50 LYS HB2 1 50 LYS HG3 2.253 . 2.887 2.441 2.327 2.997 0.110 13 0 "[ . 1 .]" 1
664 1 50 LYS HB3 1 50 LYS HG2 2.429 . 3.166 2.969 2.439 3.014 . 0 0 "[ . 1 .]" 1
665 1 50 LYS HB3 1 50 LYS HG3 2.877 . 3.912 2.450 2.402 2.536 . 0 0 "[ . 1 .]" 1
666 1 50 LYS HD3 1 50 LYS HE2 2.363 . 3.061 2.601 2.400 3.017 . 0 0 "[ . 1 .]" 1
667 1 50 LYS HD3 1 50 LYS HE3 2.123 . 2.686 2.822 2.404 3.019 0.333 4 0 "[ . 1 .]" 1
668 1 50 LYS HD3 1 50 LYS HG2 2.091 . 2.638 2.393 2.312 2.468 . 0 0 "[ . 1 .]" 1
669 1 50 LYS HD3 1 50 LYS HG3 2.295 . 2.953 2.917 2.520 3.018 0.065 7 0 "[ . 1 .]" 1
670 1 50 LYS HE2 1 50 LYS HG2 2.520 . 3.314 2.991 2.417 3.709 0.395 9 0 "[ . 1 .]" 1
671 1 50 LYS HE2 1 50 LYS HG3 2.873 . 3.905 2.774 2.278 3.689 . 0 0 "[ . 1 .]" 1
672 1 50 LYS HE3 1 50 LYS HG3 2.707 . 3.623 2.909 2.340 3.687 0.064 1 0 "[ . 1 .]" 1
673 1 51 GLN H 1 51 GLN HA 2.233 . 2.857 2.911 2.882 2.932 0.075 4 0 "[ . 1 .]" 1
674 1 51 GLN H 1 51 GLN QB 2.704 . 3.074 2.485 2.271 2.818 . 0 0 "[ . 1 .]" 1
675 1 51 GLN H 1 51 GLN QG 2.264 . 2.905 2.627 1.874 2.936 0.031 2 0 "[ . 1 .]" 1
676 1 51 GLN HA 1 52 PHE H 2.243 . 2.872 2.412 2.334 2.496 . 0 0 "[ . 1 .]" 1
677 1 51 GLN QB 1 52 PHE H 2.769 . 3.727 2.359 2.201 2.571 . 0 0 "[ . 1 .]" 1
678 1 51 GLN QG 1 52 PHE H 3.263 . 4.594 3.902 3.444 4.286 . 0 0 "[ . 1 .]" 1
679 1 52 PHE H 1 52 PHE HA 2.637 . 3.506 2.942 2.926 2.951 . 0 0 "[ . 1 .]" 1
680 1 52 PHE H 1 52 PHE HB2 2.512 . 3.301 3.038 2.584 3.824 0.523 15 4 "[* -. 1 * +]" 1
681 1 52 PHE H 1 52 PHE HB3 2.789 . 3.761 3.449 2.697 3.772 0.011 8 0 "[ . 1 .]" 1
682 1 52 PHE HA 1 52 PHE HB2 2.753 . 3.700 2.788 2.254 3.039 . 0 0 "[ . 1 .]" 1
683 1 52 PHE HA 1 52 PHE HB3 2.465 . 3.224 2.497 2.402 2.682 . 0 0 "[ . 1 .]" 1
684 1 52 PHE HA 1 52 PHE HD1 2.712 . 3.631 3.874 2.997 4.153 0.522 8 2 "[ - . + 1 .]" 1
685 1 52 PHE HA 1 53 GLY H 1.981 . 2.472 2.118 2.054 2.167 . 0 0 "[ . 1 .]" 1
686 1 52 PHE HB2 1 52 PHE HD1 2.683 . 3.583 2.532 2.349 3.644 0.061 7 0 "[ . 1 .]" 1
687 1 52 PHE HB2 1 53 GLY H 3.434 . 4.908 4.056 3.397 4.386 . 0 0 "[ . 1 .]" 1
688 1 52 PHE HB3 1 52 PHE HD1 2.476 . 3.243 3.581 2.419 3.726 0.483 10 0 "[ . 1 .]" 1
689 1 52 PHE HB3 1 53 GLY H 2.845 . 3.857 3.932 3.593 4.464 0.607 2 4 "[-+ *. 1 *]" 1
690 1 53 GLY H 1 53 GLY HA3 2.000 . 2.500 2.562 2.549 2.576 0.076 6 0 "[ . 1 .]" 1
691 1 54 THR H 1 54 THR HA 2.986 . 4.100 2.936 2.931 2.941 . 0 0 "[ . 1 .]" 1
692 1 54 THR H 1 54 THR HB 2.350 . 3.040 2.913 2.772 2.963 . 0 0 "[ . 1 .]" 1
693 1 54 THR H 1 54 THR MG 2.280 . 2.930 2.010 1.958 2.074 . 0 0 "[ . 1 .]" 1
694 1 54 THR HA 1 54 THR HB 2.505 . 3.289 2.431 2.402 2.501 . 0 0 "[ . 1 .]" 1
695 1 54 THR HA 1 54 THR MG 2.921 . 3.988 3.218 3.211 3.225 . 0 0 "[ . 1 .]" 1
696 1 54 THR HA 1 55 PHE H 2.458 . 3.213 2.247 2.223 2.297 . 0 0 "[ . 1 .]" 1
697 1 54 THR HB 1 54 THR MG 2.329 . 3.007 2.134 2.126 2.145 . 0 0 "[ . 1 .]" 1
698 1 55 PHE H 1 55 PHE HD1 2.483 . 3.254 3.256 3.176 3.283 0.029 2 0 "[ . 1 .]" 1
699 1 55 PHE HA 1 55 PHE HB2 2.348 . 3.037 2.475 2.455 2.502 . 0 0 "[ . 1 .]" 1
700 1 55 PHE HA 1 55 PHE HB3 2.403 . 3.125 2.428 2.392 2.446 . 0 0 "[ . 1 .]" 1
701 1 55 PHE HA 1 56 PRO HD2 2.507 . 3.292 3.044 2.946 3.126 . 0 0 "[ . 1 .]" 1
702 1 55 PHE HA 1 56 PRO HD3 2.368 . 3.069 2.147 1.980 2.264 . 0 0 "[ . 1 .]" 1
703 1 55 PHE HB2 1 55 PHE HD1 2.750 . 3.695 3.681 3.670 3.690 . 0 0 "[ . 1 .]" 1
704 1 55 PHE HB2 1 56 PRO HD2 1.798 . 2.202 1.891 1.794 2.056 . 0 0 "[ . 1 .]" 1
705 1 55 PHE HB2 1 56 PRO HD3 2.482 . 3.252 2.722 2.614 2.838 . 0 0 "[ . 1 .]" 1
706 1 55 PHE HB2 1 56 PRO HG2 3.110 . 4.319 4.191 4.081 4.357 0.038 7 0 "[ . 1 .]" 1
707 1 55 PHE HB3 1 55 PHE HD2 2.696 . 3.604 3.617 3.606 3.626 0.022 2 0 "[ . 1 .]" 1
708 1 55 PHE HB3 1 56 PRO HD2 2.603 . 3.450 3.502 3.464 3.537 0.087 7 0 "[ . 1 .]" 1
709 1 55 PHE HB3 1 56 PRO HD3 2.753 . 3.700 3.695 3.581 3.739 0.039 12 0 "[ . 1 .]" 1
710 1 55 PHE HD2 1 56 PRO HD2 2.656 . 3.538 2.973 2.742 3.395 . 0 0 "[ . 1 .]" 1
711 1 56 PRO HA 1 56 PRO HB2 2.328 . 3.005 2.970 2.944 2.982 . 0 0 "[ . 1 .]" 1
712 1 56 PRO HA 1 56 PRO HB3 2.709 . 3.627 2.291 2.275 2.299 . 0 0 "[ . 1 .]" 1
713 1 56 PRO HA 1 56 PRO HG2 2.992 . 4.111 3.940 3.904 3.993 . 0 0 "[ . 1 .]" 1
714 1 56 PRO HA 1 56 PRO HG3 2.726 . 3.655 3.030 2.961 3.158 . 0 0 "[ . 1 .]" 1
715 1 56 PRO HA 1 57 GLY H 2.264 . 2.905 2.162 2.145 2.176 . 0 0 "[ . 1 .]" 1
716 1 56 PRO HB2 1 56 PRO HD2 2.466 . 3.226 3.022 2.980 3.062 . 0 0 "[ . 1 .]" 1
717 1 56 PRO HB2 1 56 PRO HD3 3.014 . 4.150 3.893 3.870 3.923 . 0 0 "[ . 1 .]" 1
718 1 56 PRO HB2 1 56 PRO HG3 2.805 . 3.788 2.988 2.975 2.996 . 0 0 "[ . 1 .]" 1
719 1 56 PRO HB2 1 57 GLY H 3.032 . 4.181 3.865 3.800 3.899 . 0 0 "[ . 1 .]" 1
720 1 56 PRO HB2 1 58 ASN H 2.563 . 3.384 3.203 2.862 3.443 0.059 2 0 "[ . 1 .]" 1
721 1 56 PRO HB2 1 59 TYR H 3.110 . 4.319 3.574 3.041 4.009 . 0 0 "[ . 1 .]" 1
722 1 56 PRO HB3 1 56 PRO HD2 2.965 . 4.064 3.928 3.916 3.936 . 0 0 "[ . 1 .]" 1
723 1 56 PRO HB3 1 56 PRO HG2 2.738 . 3.675 2.674 2.661 2.699 . 0 0 "[ . 1 .]" 1
724 1 56 PRO HB3 1 58 ASN H 2.901 . 3.953 3.218 3.128 3.304 . 0 0 "[ . 1 .]" 1
725 1 56 PRO HD2 1 56 PRO HG2 2.691 . 3.596 2.304 2.297 2.311 . 0 0 "[ . 1 .]" 1
726 1 56 PRO HD2 1 56 PRO HG3 2.458 . 3.213 2.982 2.976 2.987 . 0 0 "[ . 1 .]" 1
727 1 56 PRO HD3 1 56 PRO HG2 2.908 . 3.965 2.711 2.702 2.720 . 0 0 "[ . 1 .]" 1
728 1 56 PRO HD3 1 56 PRO HG3 2.292 . 2.949 2.299 2.294 2.305 . 0 0 "[ . 1 .]" 1
729 1 57 GLY H 1 57 GLY HA2 2.248 . 2.880 2.907 2.894 2.927 0.047 7 0 "[ . 1 .]" 1
730 1 57 GLY H 1 57 GLY HA3 2.341 . 3.026 2.343 2.323 2.364 . 0 0 "[ . 1 .]" 1
731 1 57 GLY H 1 58 ASN H 2.752 . 3.699 2.448 2.290 2.759 . 0 0 "[ . 1 .]" 1
732 1 57 GLY HA2 1 58 ASN H 3.032 . 4.181 3.285 3.045 3.415 . 0 0 "[ . 1 .]" 1
733 1 57 GLY HA2 1 60 VAL MG1 2.750 . 3.695 2.440 2.278 2.625 . 0 0 "[ . 1 .]" 1
734 1 57 GLY HA3 1 58 ASN H 2.765 . 3.720 3.231 3.066 3.440 . 0 0 "[ . 1 .]" 1
735 1 57 GLY HA3 1 60 VAL MG1 2.853 . 3.870 3.611 3.344 3.702 . 0 0 "[ . 1 .]" 1
736 1 58 ASN H 1 58 ASN HA 2.778 . 3.742 2.933 2.916 2.949 . 0 0 "[ . 1 .]" 1
737 1 58 ASN H 1 58 ASN HB2 2.865 . 3.891 2.820 2.364 3.720 . 0 0 "[ . 1 .]" 1
738 1 58 ASN H 1 58 ASN HB3 2.714 . 3.634 3.162 2.516 3.697 0.063 4 0 "[ . 1 .]" 1
739 1 58 ASN H 1 59 TYR H 2.572 . 3.399 2.569 2.160 3.005 . 0 0 "[ . 1 .]" 1
740 1 58 ASN H 1 59 TYR QD 3.931 . 5.863 5.527 5.171 5.628 . 0 0 "[ . 1 .]" 1
741 1 58 ASN HA 1 58 ASN HB2 2.403 . 3.125 2.748 2.401 3.033 . 0 0 "[ . 1 .]" 1
742 1 58 ASN HA 1 58 ASN HB3 2.360 . 3.056 2.677 2.436 3.034 . 0 0 "[ . 1 .]" 1
743 1 58 ASN HA 1 59 TYR H 3.033 . 4.183 2.974 2.722 3.086 . 0 0 "[ . 1 .]" 1
744 1 59 TYR H 1 59 TYR HA 2.463 . 3.222 2.940 2.928 2.946 . 0 0 "[ . 1 .]" 1
745 1 59 TYR H 1 59 TYR HB2 2.744 . 3.685 3.285 3.160 3.536 . 0 0 "[ . 1 .]" 1
746 1 59 TYR H 1 59 TYR HB3 2.616 . 3.472 2.385 2.260 2.533 . 0 0 "[ . 1 .]" 1
747 1 59 TYR H 1 59 TYR QD 2.802 . 3.784 3.806 3.417 3.901 0.117 3 0 "[ . 1 .]" 1
748 1 59 TYR H 1 60 VAL H 2.493 . 3.270 1.839 1.667 1.964 0.049 8 0 "[ . 1 .]" 1
749 1 59 TYR H 1 60 VAL MG1 3.044 . 4.202 2.981 2.830 3.128 . 0 0 "[ . 1 .]" 1
750 1 59 TYR HA 1 59 TYR HB2 2.628 . 3.491 2.332 2.259 2.363 . 0 0 "[ . 1 .]" 1
751 1 59 TYR HA 1 59 TYR HB3 2.665 . 3.553 2.997 2.928 3.017 . 0 0 "[ . 1 .]" 1
752 1 59 TYR HA 1 59 TYR QD 3.107 . 4.313 3.134 3.080 3.318 . 0 0 "[ . 1 .]" 1
753 1 59 TYR HA 1 60 VAL H 2.727 . 3.656 3.261 3.187 3.356 . 0 0 "[ . 1 .]" 1
754 1 59 TYR HB2 1 59 TYR QD 2.882 . 3.920 2.391 2.364 2.413 . 0 0 "[ . 1 .]" 1
755 1 59 TYR HB3 1 59 TYR QD 2.490 . 3.265 2.371 2.347 2.417 . 0 0 "[ . 1 .]" 1
756 1 59 TYR HB3 1 60 VAL H 2.680 . 3.578 3.481 3.252 3.598 0.020 2 0 "[ . 1 .]" 1
757 1 59 TYR QD 1 60 VAL HA 2.903 . 3.957 3.916 3.791 3.991 0.034 13 0 "[ . 1 .]" 1
758 1 60 VAL H 1 60 VAL HA 2.919 . 3.984 2.942 2.935 2.958 . 0 0 "[ . 1 .]" 1
759 1 60 VAL H 1 60 VAL HB 2.694 . 3.601 2.971 2.939 3.003 . 0 0 "[ . 1 .]" 1
760 1 60 VAL H 1 60 VAL MG1 2.377 . 3.083 2.239 2.178 2.287 . 0 0 "[ . 1 .]" 1
761 1 60 VAL H 1 60 VAL MG2 3.218 . 4.513 3.877 3.862 3.895 . 0 0 "[ . 1 .]" 1
762 1 60 VAL HA 1 60 VAL HB 2.551 . 3.364 2.502 2.491 2.514 . 0 0 "[ . 1 .]" 1
763 1 60 VAL HA 1 60 VAL MG1 2.785 . 3.754 3.211 3.203 3.221 . 0 0 "[ . 1 .]" 1
764 1 60 VAL HA 1 60 VAL MG2 2.290 . 2.946 2.349 2.330 2.376 . 0 0 "[ . 1 .]" 1
765 1 60 VAL HA 1 61 LYS H 2.260 . 2.898 2.405 2.340 2.445 . 0 0 "[ . 1 .]" 1
766 1 60 VAL HB 1 60 VAL MG1 2.302 . 2.964 2.106 2.097 2.111 . 0 0 "[ . 1 .]" 1
767 1 60 VAL HB 1 60 VAL MG2 2.258 . 2.895 2.102 2.098 2.106 . 0 0 "[ . 1 .]" 1
768 1 60 VAL HB 1 61 LYS H 2.929 . 4.001 4.011 3.980 4.042 0.041 9 0 "[ . 1 .]" 1
769 1 60 VAL MG1 1 60 VAL MG2 2.704 . 3.618 2.055 2.034 2.072 . 0 0 "[ . 1 .]" 1
770 1 60 VAL MG1 1 61 LYS H 2.723 . 3.650 3.445 3.376 3.487 . 0 0 "[ . 1 .]" 1
771 1 60 VAL MG2 1 61 LYS H 2.699 . 3.610 1.878 1.817 1.951 . 0 0 "[ . 1 .]" 1
772 1 60 VAL MG2 1 61 LYS HA 2.945 . 4.029 3.890 3.876 3.905 . 0 0 "[ . 1 .]" 1
773 1 61 LYS H 1 61 LYS HA 2.699 . 3.609 2.944 2.932 2.955 . 0 0 "[ . 1 .]" 1
774 1 61 LYS H 1 61 LYS QB 3.028 . 4.174 2.763 2.490 2.916 . 0 0 "[ . 1 .]" 1
775 1 61 LYS H 1 61 LYS QG 2.750 . 3.685 2.639 2.389 3.002 . 0 0 "[ . 1 .]" 1
776 1 61 LYS HA 1 61 LYS QB 2.413 . 3.133 2.227 2.157 2.398 . 0 0 "[ . 1 .]" 1
777 1 61 LYS HA 1 61 LYS QG 2.699 . 3.609 3.061 2.304 3.342 . 0 0 "[ . 1 .]" 1
778 1 61 LYS HA 1 62 PRO QD 2.227 . 2.518 2.089 2.020 2.212 . 0 0 "[ . 1 .]" 1
779 1 61 LYS HA 1 62 PRO QG 3.092 . 4.287 3.960 3.902 4.071 . 0 0 "[ . 1 .]" 1
780 1 61 LYS QB 1 61 LYS QG 2.367 . 3.067 2.076 2.070 2.083 . 0 0 "[ . 1 .]" 1
781 1 61 LYS QB 1 62 PRO QD . . 2.205 1.894 1.620 2.046 0.196 5 0 "[ . 1 .]" 1
782 1 61 LYS HD2 1 61 LYS QE 1.969 . 2.454 2.274 2.159 2.427 . 0 0 "[ . 1 .]" 1
783 1 61 LYS HD2 1 61 LYS QG 2.296 . 2.610 2.308 2.171 2.381 . 0 0 "[ . 1 .]" 1
784 1 61 LYS QE 1 61 LYS QG 2.712 . 3.126 2.486 2.325 2.674 . 0 0 "[ . 1 .]" 1
785 1 61 LYS QE 1 62 PRO QD 2.217 . 2.832 2.645 2.491 2.807 . 0 0 "[ . 1 .]" 1
786 1 61 LYS QE 1 62 PRO QG 2.635 . 3.503 2.909 2.311 3.284 . 0 0 "[ . 1 .]" 1
787 1 62 PRO HA 1 62 PRO HB3 2.369 . 3.071 2.280 2.261 2.295 . 0 0 "[ . 1 .]" 1
788 1 62 PRO HA 1 62 PRO QG 2.816 . 3.807 3.477 3.471 3.483 . 0 0 "[ . 1 .]" 1
789 1 62 PRO HA 1 63 LEU H 2.120 . 2.682 2.191 2.158 2.237 . 0 0 "[ . 1 .]" 1
790 1 62 PRO HA 1 63 LEU HG 2.921 . 3.988 4.020 3.979 4.036 0.048 12 0 "[ . 1 .]" 1
791 1 62 PRO HB2 1 62 PRO QD 3.051 . 4.215 3.509 3.502 3.515 . 0 0 "[ . 1 .]" 1
792 1 62 PRO HB2 1 63 LEU H 2.569 . 3.394 3.246 3.131 3.355 . 0 0 "[ . 1 .]" 1
793 1 62 PRO HB3 1 62 PRO QD 2.940 . 4.021 2.779 2.740 2.827 . 0 0 "[ . 1 .]" 1
794 1 62 PRO HB3 1 62 PRO QG . . 2.382 2.258 2.246 2.268 . 0 0 "[ . 1 .]" 1
795 1 62 PRO HB3 1 63 LEU H 2.917 . 3.980 3.660 3.557 3.756 . 0 0 "[ . 1 .]" 1
796 1 62 PRO QD 1 62 PRO QG 2.069 . 2.604 1.976 1.961 1.981 0.009 5 0 "[ . 1 .]" 1
797 1 63 LEU H 1 63 LEU HB2 2.408 . 3.133 2.424 2.382 2.472 . 0 0 "[ . 1 .]" 1
798 1 63 LEU H 1 63 LEU HB3 2.778 . 3.743 3.568 3.556 3.582 . 0 0 "[ . 1 .]" 1
799 1 63 LEU H 1 63 LEU MD2 2.562 . 3.382 3.260 3.239 3.294 . 0 0 "[ . 1 .]" 1
800 1 63 LEU HA 1 63 LEU HB2 2.322 . 2.996 3.011 3.004 3.017 0.021 6 0 "[ . 1 .]" 1
801 1 63 LEU HA 1 63 LEU HB3 2.299 . 2.960 2.515 2.497 2.535 . 0 0 "[ . 1 .]" 1
802 1 63 LEU HA 1 63 LEU MD2 1.963 . 2.445 1.868 1.815 1.918 . 0 0 "[ . 1 .]" 1
803 1 63 LEU HA 1 64 TYR H 2.030 . 2.545 2.209 2.089 2.403 . 0 0 "[ . 1 .]" 1
804 1 63 LEU HB2 1 63 LEU MD2 2.921 . 3.988 3.176 3.167 3.182 . 0 0 "[ . 1 .]" 1
805 1 63 LEU HB3 1 63 LEU MD2 2.596 . 3.439 2.383 2.348 2.410 . 0 0 "[ . 1 .]" 1
806 1 63 LEU HB3 1 64 TYR H 2.438 . 3.181 2.858 2.224 3.230 0.049 11 0 "[ . 1 .]" 1
807 1 63 LEU MD2 1 63 LEU HG 1.913 . 2.371 2.115 2.110 2.118 . 0 0 "[ . 1 .]" 1
808 1 63 LEU MD2 1 64 TYR H 2.706 . 3.621 3.235 3.072 3.378 . 0 0 "[ . 1 .]" 1
809 1 64 TYR H 1 64 TYR HA 2.652 . 3.531 2.764 2.240 2.907 . 0 0 "[ . 1 .]" 1
810 1 64 TYR H 1 64 TYR QB 2.569 . 3.146 2.436 2.083 2.873 . 0 0 "[ . 1 .]" 1
811 1 64 TYR H 1 64 TYR HD1 2.865 . 3.891 3.053 1.764 4.023 0.132 15 0 "[ . 1 .]" 1
812 1 64 TYR HA 1 64 TYR QB 2.409 . 2.682 2.361 2.161 2.529 . 0 0 "[ . 1 .]" 1
813 1 64 TYR HA 1 64 TYR HD1 2.723 . 3.650 3.169 2.183 3.872 0.222 11 0 "[ . 1 .]" 1
814 1 64 TYR QB 1 64 TYR HD1 2.394 . 3.110 2.542 2.394 2.674 . 0 0 "[ . 1 .]" 1
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