NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548137 |
2lj0   |
17912 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lj0
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 1059
_Distance_constraint_stats_list.Viol_count 1633
_Distance_constraint_stats_list.Viol_total 2301.894
_Distance_constraint_stats_list.Viol_max 0.975
_Distance_constraint_stats_list.Viol_rms 0.0507
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.0940
_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 1.126 0.219 14 0 "[ . 1 .]"
1 4 GLN 2.701 0.191 8 0 "[ . 1 .]"
1 5 ASP 5.043 0.565 4 1 "[ +. 1 .]"
1 6 LEU 2.551 0.307 10 0 "[ . 1 .]"
1 7 PHE 5.276 0.445 10 0 "[ . 1 .]"
1 8 SER 0.549 0.118 10 0 "[ . 1 .]"
1 9 TYR 8.391 0.737 4 5 "[ +***- 1 .]"
1 10 GLN 17.962 0.746 13 8 "[* ** * 1- +**]"
1 11 ALA 2.986 0.401 13 0 "[ . 1 .]"
1 12 LEU 2.581 0.470 7 0 "[ . 1 .]"
1 13 TYR 0.865 0.103 12 0 "[ . 1 .]"
1 14 SER 7.019 0.747 1 3 "[+ . -*1 .]"
1 15 TYR 9.239 0.747 1 3 "[+ . -*1 .]"
1 16 ILE 2.291 0.238 9 0 "[ . 1 .]"
1 17 PRO 0.406 0.045 9 0 "[ . 1 .]"
1 18 GLN 2.932 0.890 1 1 "[+ . 1 .]"
1 19 ASN 4.300 0.915 1 1 "[+ . 1 .]"
1 20 ASP 3.810 0.573 1 1 "[+ . 1 .]"
1 21 ASP 0.134 0.134 3 0 "[ . 1 .]"
1 22 GLU 2.179 0.915 1 1 "[+ . 1 .]"
1 23 LEU 4.545 0.161 3 0 "[ . 1 .]"
1 24 GLU 2.954 0.237 12 0 "[ . 1 .]"
1 25 LEU 9.457 0.422 1 0 "[ . 1 .]"
1 26 ARG 7.948 0.573 9 2 "[ . -+1 .]"
1 27 ASP 5.132 0.435 13 0 "[ . 1 .]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 29 ASP 0.220 0.184 13 0 "[ . 1 .]"
1 30 ILE 8.455 0.690 1 4 "[+ -. 1 * *]"
1 31 VAL 2.315 0.151 15 0 "[ . 1 .]"
1 32 ASP 0.358 0.044 11 0 "[ . 1 .]"
1 33 VAL 5.378 0.371 2 0 "[ . 1 .]"
1 34 MET 7.032 0.835 2 2 "[ + . 1- .]"
1 35 GLU 3.206 0.245 13 0 "[ . 1 .]"
1 36 LYS 3.437 0.362 15 0 "[ . 1 .]"
1 37 CYS 0.609 0.165 15 0 "[ . 1 .]"
1 38 ASP 0.936 0.190 6 0 "[ . 1 .]"
1 39 ASP 4.160 0.975 9 4 "[ - .* +* .]"
1 40 GLY 1.851 0.129 13 0 "[ . 1 .]"
1 41 TRP 1.194 0.155 14 0 "[ . 1 .]"
1 42 PHE 3.544 0.147 13 0 "[ . 1 .]"
1 43 VAL 0.983 0.089 6 0 "[ . 1 .]"
1 44 GLY 2.134 0.835 2 2 "[ + . 1- .]"
1 45 THR 4.005 0.120 3 0 "[ . 1 .]"
1 46 SER 7.270 0.183 4 0 "[ . 1 .]"
1 47 ARG 1.794 0.319 5 0 "[ . 1 .]"
1 48 ARG 2.681 0.930 4 1 "[ +. 1 .]"
1 49 THR 2.575 0.183 4 0 "[ . 1 .]"
1 50 LYS 2.124 0.107 11 0 "[ . 1 .]"
1 51 GLN 2.397 0.098 14 0 "[ . 1 .]"
1 52 PHE 1.008 0.065 9 0 "[ . 1 .]"
1 53 GLY 0.306 0.123 14 0 "[ . 1 .]"
1 54 THR 1.998 0.123 14 0 "[ . 1 .]"
1 55 PHE 3.145 0.101 5 0 "[ . 1 .]"
1 56 PRO 2.731 0.078 2 0 "[ . 1 .]"
1 57 GLY 5.978 0.737 4 5 "[ +***- 1 .]"
1 58 ASN 0.477 0.155 14 0 "[ . 1 .]"
1 59 TYR 15.622 0.366 11 0 "[ . 1 .]"
1 60 VAL 6.981 0.288 7 0 "[ . 1 .]"
1 61 LYS 10.668 0.744 7 3 "[ * + 1- .]"
1 62 PRO 0.964 0.200 6 0 "[ . 1 .]"
1 63 LEU 3.598 0.547 14 1 "[ . 1 +.]"
1 64 TYR 8.209 0.736 13 3 "[ .- 1 + *]"
1 65 LEU 6.511 0.736 13 4 "[ -.* 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 3.034 . 4.185 2.761 2.143 3.579 . 0 0 "[ . 1 .]" 1
2 1 2 THR HA 1 3 SER H 2.998 . 4.122 2.819 2.161 3.600 . 0 0 "[ . 1 .]" 1
3 1 3 SER H 1 3 SER HA 2.364 . 3.063 2.898 2.752 2.948 . 0 0 "[ . 1 .]" 1
4 1 3 SER H 1 3 SER HB3 3.210 . 4.498 3.327 2.644 3.977 . 0 0 "[ . 1 .]" 1
5 1 3 SER HA 1 3 SER HB3 2.207 . 2.816 2.522 2.322 3.035 0.219 14 0 "[ . 1 .]" 1
6 1 3 SER HA 1 4 GLN H 2.549 . 3.361 2.639 2.152 3.493 0.132 1 0 "[ . 1 .]" 1
7 1 3 SER HA 1 6 LEU HB2 3.435 . 4.910 3.971 2.550 4.972 0.062 1 0 "[ . 1 .]" 1
8 1 3 SER HB3 1 4 GLN H 3.703 . 5.417 3.922 1.892 4.613 0.097 1 0 "[ . 1 .]" 1
9 1 4 GLN H 1 4 GLN QB 3.421 . 4.207 2.741 2.275 3.188 . 0 0 "[ . 1 .]" 1
10 1 4 GLN H 1 4 GLN QG 3.348 . 4.749 3.796 2.006 4.467 . 0 0 "[ . 1 .]" 1
11 1 4 GLN HA 1 4 GLN QB 2.348 . 3.037 2.320 2.157 2.521 . 0 0 "[ . 1 .]" 1
12 1 4 GLN HA 1 4 GLN QG 3.234 . 4.541 2.860 2.398 3.567 . 0 0 "[ . 1 .]" 1
13 1 4 GLN HA 1 5 ASP H 2.846 . 3.858 3.389 2.840 3.520 . 0 0 "[ . 1 .]" 1
14 1 4 GLN QB 1 5 ASP H . . 1.993 1.941 1.759 2.118 0.157 15 0 "[ . 1 .]" 1
15 1 4 GLN QG 1 5 ASP H 1.543 . 1.841 1.873 1.347 2.032 0.191 8 0 "[ . 1 .]" 1
16 1 5 ASP H 1 5 ASP HA 2.801 . 3.781 2.856 2.279 2.947 . 0 0 "[ . 1 .]" 1
17 1 5 ASP H 1 5 ASP HB3 2.686 . 3.588 3.488 2.505 3.795 0.207 7 0 "[ . 1 .]" 1
18 1 5 ASP H 1 6 LEU H 3.074 . 4.256 3.272 2.416 4.098 . 0 0 "[ . 1 .]" 1
19 1 5 ASP H 1 6 LEU HB2 3.404 . 4.852 4.682 4.173 4.979 0.127 7 0 "[ . 1 .]" 1
20 1 5 ASP HA 1 5 ASP HB3 2.398 . 3.117 2.554 2.399 3.032 . 0 0 "[ . 1 .]" 1
21 1 5 ASP HA 1 6 LEU H 2.428 . 3.165 2.635 2.104 3.173 0.008 11 0 "[ . 1 .]" 1
22 1 5 ASP HA 1 65 LEU HB2 3.365 . 4.780 4.363 2.610 5.345 0.565 4 1 "[ +. 1 .]" 1
23 1 5 ASP HB3 1 6 LEU H 3.111 . 4.321 4.253 3.696 4.628 0.307 10 0 "[ . 1 .]" 1
24 1 6 LEU H 1 6 LEU HA 2.838 . 3.845 2.894 2.809 2.949 . 0 0 "[ . 1 .]" 1
25 1 6 LEU H 1 6 LEU HB2 2.325 . 3.001 2.699 2.316 3.007 0.006 6 0 "[ . 1 .]" 1
26 1 6 LEU H 1 6 LEU HB3 2.022 . 2.533 2.534 2.448 2.629 0.096 5 0 "[ . 1 .]" 1
27 1 6 LEU H 1 6 LEU MD1 4.146 . 6.295 4.192 4.104 4.326 . 0 0 "[ . 1 .]" 1
28 1 6 LEU H 1 6 LEU MD2 4.355 . 6.726 4.310 3.913 4.505 . 0 0 "[ . 1 .]" 1
29 1 6 LEU H 1 6 LEU HG 3.526 . 5.080 4.479 4.427 4.548 . 0 0 "[ . 1 .]" 1
30 1 6 LEU H 1 7 PHE H 2.510 . 3.298 2.628 1.821 3.445 0.147 7 0 "[ . 1 .]" 1
31 1 6 LEU HA 1 6 LEU HB2 1.967 . 2.451 2.475 2.429 2.549 0.098 3 0 "[ . 1 .]" 1
32 1 6 LEU HA 1 6 LEU MD2 3.168 . 4.423 3.743 1.969 3.903 . 0 0 "[ . 1 .]" 1
33 1 6 LEU HA 1 7 PHE H 2.679 . 3.576 3.276 2.387 3.569 . 0 0 "[ . 1 .]" 1
34 1 6 LEU HB2 1 7 PHE H 3.224 . 4.523 3.918 3.367 4.555 0.032 12 0 "[ . 1 .]" 1
35 1 6 LEU HB3 1 6 LEU MD1 3.150 . 4.391 3.145 2.386 3.205 . 0 0 "[ . 1 .]" 1
36 1 6 LEU HB3 1 7 PHE H 3.262 . 4.592 2.861 1.882 4.369 0.050 9 0 "[ . 1 .]" 1
37 1 6 LEU MD1 1 7 PHE H 3.928 . 5.856 4.207 2.974 4.682 . 0 0 "[ . 1 .]" 1
38 1 6 LEU MD2 1 7 PHE H 3.798 . 5.601 4.482 3.503 5.529 . 0 0 "[ . 1 .]" 1
39 1 7 PHE H 1 7 PHE HB2 3.378 . 4.805 3.101 2.069 3.426 . 0 0 "[ . 1 .]" 1
40 1 7 PHE H 1 7 PHE HB3 2.968 . 4.069 3.594 3.200 4.156 0.087 11 0 "[ . 1 .]" 1
41 1 7 PHE H 1 7 PHE HD2 3.607 . 5.233 4.803 3.639 5.678 0.445 10 0 "[ . 1 .]" 1
42 1 7 PHE HA 1 7 PHE HB2 2.827 . 3.826 2.785 2.619 2.958 . 0 0 "[ . 1 .]" 1
43 1 7 PHE HA 1 7 PHE HB3 2.938 . 4.017 2.894 2.682 3.004 . 0 0 "[ . 1 .]" 1
44 1 7 PHE HA 1 8 SER H 2.329 . 3.007 2.145 2.063 2.197 . 0 0 "[ . 1 .]" 1
45 1 7 PHE HB2 1 8 SER H 3.310 . 4.680 4.533 4.308 4.598 . 0 0 "[ . 1 .]" 1
46 1 7 PHE HB2 1 33 VAL H 4.242 . 6.492 4.738 4.101 5.100 . 0 0 "[ . 1 .]" 1
47 1 7 PHE HB3 1 7 PHE HD2 2.869 . 3.898 3.383 2.398 3.632 . 0 0 "[ . 1 .]" 1
48 1 7 PHE HB3 1 8 SER H 2.948 . 4.034 3.903 3.680 4.131 0.097 10 0 "[ . 1 .]" 1
49 1 7 PHE HB3 1 33 VAL HB 3.238 . 4.549 4.631 4.505 4.746 0.197 11 0 "[ . 1 .]" 1
50 1 7 PHE HB3 1 33 VAL MG1 4.408 . 6.836 1.826 1.609 2.181 0.371 2 0 "[ . 1 .]" 1
51 1 8 SER H 1 8 SER HA 2.333 . 3.013 2.942 2.932 2.953 . 0 0 "[ . 1 .]" 1
52 1 8 SER H 1 8 SER QB . . 2.773 2.531 2.374 2.659 . 0 0 "[ . 1 .]" 1
53 1 8 SER HA 1 9 TYR H 2.382 . 3.091 2.191 2.147 2.284 . 0 0 "[ . 1 .]" 1
54 1 8 SER HA 1 9 TYR HB3 4.597 . 7.239 5.719 5.669 5.779 . 0 0 "[ . 1 .]" 1
55 1 8 SER HA 1 9 TYR HD2 3.945 . 5.890 5.400 5.192 5.574 . 0 0 "[ . 1 .]" 1
56 1 8 SER HA 1 30 ILE MG 3.652 . 5.319 3.831 3.488 4.101 . 0 0 "[ . 1 .]" 1
57 1 8 SER HA 1 33 VAL HB 3.605 . 5.230 5.186 4.741 5.348 0.118 10 0 "[ . 1 .]" 1
58 1 8 SER HA 1 33 VAL MG1 3.263 . 4.594 3.453 3.021 3.798 . 0 0 "[ . 1 .]" 1
59 1 8 SER QB 1 9 TYR H 3.100 . 4.181 3.354 3.007 3.688 . 0 0 "[ . 1 .]" 1
60 1 8 SER QB 1 30 ILE MG 3.085 . 4.275 2.798 1.997 3.511 . 0 0 "[ . 1 .]" 1
61 1 8 SER QB 1 63 LEU HB2 2.383 . 3.093 2.952 2.379 3.092 . 0 0 "[ . 1 .]" 1
62 1 8 SER QB 1 63 LEU HB3 3.568 . 5.159 4.125 3.516 4.356 . 0 0 "[ . 1 .]" 1
63 1 8 SER QB 1 63 LEU MD1 3.162 . 3.483 2.666 2.239 3.078 . 0 0 "[ . 1 .]" 1
64 1 9 TYR H 1 9 TYR HA 2.685 . 3.586 2.950 2.944 2.956 . 0 0 "[ . 1 .]" 1
65 1 9 TYR H 1 9 TYR HB2 2.320 . 2.993 2.686 2.598 2.750 . 0 0 "[ . 1 .]" 1
66 1 9 TYR H 1 9 TYR HB3 3.360 . 4.771 3.789 3.743 3.820 . 0 0 "[ . 1 .]" 1
67 1 9 TYR H 1 9 TYR HD2 3.489 . 5.010 4.042 3.913 4.184 . 0 0 "[ . 1 .]" 1
68 1 9 TYR H 1 10 GLN H 4.150 . 6.303 4.460 4.423 4.501 . 0 0 "[ . 1 .]" 1
69 1 9 TYR H 1 30 ILE MG 3.150 . 4.391 3.274 3.130 3.437 . 0 0 "[ . 1 .]" 1
70 1 9 TYR H 1 31 VAL MG1 3.880 . 5.762 4.190 3.978 4.357 . 0 0 "[ . 1 .]" 1
71 1 9 TYR HA 1 9 TYR HB3 2.429 . 3.166 2.441 2.416 2.473 . 0 0 "[ . 1 .]" 1
72 1 9 TYR HA 1 9 TYR HD2 3.283 . 4.630 4.651 4.619 4.673 0.043 6 0 "[ . 1 .]" 1
73 1 9 TYR HA 1 10 GLN H 2.552 . 3.366 2.297 2.265 2.329 . 0 0 "[ . 1 .]" 1
74 1 9 TYR HA 1 61 LYS H 3.118 . 4.333 4.040 3.837 4.185 . 0 0 "[ . 1 .]" 1
75 1 9 TYR HA 1 62 PRO HA 2.613 . 3.466 3.154 2.905 3.472 0.006 12 0 "[ . 1 .]" 1
76 1 9 TYR HA 1 63 LEU H 2.590 . 3.429 2.807 2.528 3.229 . 0 0 "[ . 1 .]" 1
77 1 9 TYR HA 1 63 LEU MD1 2.613 . 3.466 3.170 3.041 3.256 . 0 0 "[ . 1 .]" 1
78 1 9 TYR HA 1 63 LEU HG 2.819 . 3.812 2.275 2.084 2.430 . 0 0 "[ . 1 .]" 1
79 1 9 TYR HA 1 64 TYR H 4.988 . 8.098 6.236 6.064 6.468 . 0 0 "[ . 1 .]" 1
80 1 9 TYR HB2 1 9 TYR HE2 3.667 . 5.347 4.583 4.554 4.610 . 0 0 "[ . 1 .]" 1
81 1 9 TYR HB2 1 31 VAL H 3.265 . 4.598 3.724 3.586 3.876 . 0 0 "[ . 1 .]" 1
82 1 9 TYR HB2 1 31 VAL HB 4.306 . 6.624 3.602 3.472 3.744 . 0 0 "[ . 1 .]" 1
83 1 9 TYR HB2 1 33 VAL MG1 14.724 . 41.823 4.366 4.185 4.537 . 0 0 "[ . 1 .]" 1
84 1 9 TYR HB2 1 60 VAL HB 1.804 . 2.211 2.240 2.164 2.270 0.059 6 0 "[ . 1 .]" 1
85 1 9 TYR HB2 1 60 VAL MG1 3.011 . 4.144 2.992 2.922 3.058 . 0 0 "[ . 1 .]" 1
86 1 9 TYR HB2 1 60 VAL MG2 6.961 . 13.017 2.793 2.682 2.865 . 0 0 "[ . 1 .]" 1
87 1 9 TYR HB2 1 62 PRO HA 4.417 . 6.856 5.059 4.824 5.235 . 0 0 "[ . 1 .]" 1
88 1 9 TYR HB3 1 9 TYR HD2 2.458 . 3.213 3.202 3.162 3.251 0.038 9 0 "[ . 1 .]" 1
89 1 9 TYR HB3 1 9 TYR HE2 3.583 . 5.188 5.117 5.086 5.149 . 0 0 "[ . 1 .]" 1
90 1 9 TYR HB3 1 10 GLN H 2.856 . 3.876 2.629 2.570 2.745 . 0 0 "[ . 1 .]" 1
91 1 9 TYR HB3 1 60 VAL HA 3.027 . 4.172 3.854 3.713 3.982 . 0 0 "[ . 1 .]" 1
92 1 9 TYR HB3 1 60 VAL HB 1.557 . 1.860 1.810 1.631 1.928 0.068 2 0 "[ . 1 .]" 1
93 1 9 TYR HB3 1 60 VAL MG1 3.419 . 4.880 3.482 3.333 3.583 . 0 0 "[ . 1 .]" 1
94 1 9 TYR HB3 1 60 VAL MG2 3.225 . 4.525 2.752 2.671 2.827 . 0 0 "[ . 1 .]" 1
95 1 9 TYR HB3 1 61 LYS H 3.068 . 4.245 2.544 2.382 2.643 . 0 0 "[ . 1 .]" 1
96 1 9 TYR HB3 1 62 PRO HA 3.032 . 4.181 3.968 3.615 4.215 0.034 9 0 "[ . 1 .]" 1
97 1 9 TYR HD2 1 31 VAL HB 5.817 . 10.046 4.471 4.209 4.719 . 0 0 "[ . 1 .]" 1
98 1 9 TYR HD2 1 33 VAL HB 2.945 . 4.029 3.555 3.236 3.916 . 0 0 "[ . 1 .]" 1
99 1 9 TYR HD2 1 33 VAL MG1 2.613 . 3.466 3.344 3.220 3.440 . 0 0 "[ . 1 .]" 1
100 1 9 TYR HD2 1 57 GLY HA3 3.130 . 4.354 4.708 4.391 5.091 0.737 4 5 "[ +***- 1 .]" 1
101 1 9 TYR HD2 1 60 VAL HA 3.876 . 5.754 5.733 5.687 5.773 0.019 9 0 "[ . 1 .]" 1
102 1 9 TYR HD2 1 60 VAL HB 2.511 . 3.299 3.371 3.330 3.410 0.111 11 0 "[ . 1 .]" 1
103 1 9 TYR HD2 1 60 VAL MG2 2.133 . 2.702 2.110 2.015 2.214 . 0 0 "[ . 1 .]" 1
104 1 9 TYR HD2 1 61 LYS H 3.685 . 5.382 5.420 5.368 5.467 0.085 2 0 "[ . 1 .]" 1
105 1 9 TYR HE2 1 33 VAL HB 2.856 . 3.876 3.272 2.979 3.600 . 0 0 "[ . 1 .]" 1
106 1 9 TYR HE2 1 33 VAL MG1 3.391 . 4.828 2.565 2.394 2.733 . 0 0 "[ . 1 .]" 1
107 1 9 TYR HE2 1 57 GLY HA3 3.132 . 4.358 4.270 4.043 4.447 0.089 4 0 "[ . 1 .]" 1
108 1 10 GLN H 1 10 GLN HA 2.881 . 3.919 2.946 2.939 2.951 . 0 0 "[ . 1 .]" 1
109 1 10 GLN H 1 10 GLN HB2 2.631 . 3.496 2.913 2.780 3.204 . 0 0 "[ . 1 .]" 1
110 1 10 GLN H 1 10 GLN HB3 3.159 . 4.407 2.633 2.427 2.749 . 0 0 "[ . 1 .]" 1
111 1 10 GLN H 1 10 GLN HG2 3.335 . 4.725 4.437 4.213 4.544 . 0 0 "[ . 1 .]" 1
112 1 10 GLN H 1 60 VAL HA 3.861 . 5.724 4.463 4.326 4.575 . 0 0 "[ . 1 .]" 1
113 1 10 GLN H 1 60 VAL HB 2.679 . 3.576 3.598 3.529 3.633 0.057 7 0 "[ . 1 .]" 1
114 1 10 GLN H 1 60 VAL MG1 3.615 . 5.248 4.534 4.416 4.634 . 0 0 "[ . 1 .]" 1
115 1 10 GLN H 1 60 VAL MG2 3.685 . 5.382 4.816 4.787 4.848 . 0 0 "[ . 1 .]" 1
116 1 10 GLN H 1 61 LYS H 2.990 . 4.107 2.548 2.379 2.658 . 0 0 "[ . 1 .]" 1
117 1 10 GLN H 1 61 LYS HG2 2.782 . 3.749 3.149 2.066 4.282 0.533 5 2 "[ + 1- .]" 1
118 1 10 GLN H 1 62 PRO HA 3.501 . 5.033 4.538 4.343 4.801 . 0 0 "[ . 1 .]" 1
119 1 10 GLN H 1 63 LEU MD1 3.563 . 5.150 3.114 2.860 3.373 . 0 0 "[ . 1 .]" 1
120 1 10 GLN HA 1 10 GLN HB2 2.613 . 3.466 2.496 2.358 2.562 . 0 0 "[ . 1 .]" 1
121 1 10 GLN HA 1 10 GLN HB3 2.722 . 3.648 3.017 3.010 3.024 . 0 0 "[ . 1 .]" 1
122 1 10 GLN HA 1 10 GLN HG2 2.210 . 2.821 3.032 2.820 3.567 0.746 13 4 "[* *. 1 + -]" 1
123 1 10 GLN HA 1 11 ALA H 2.371 . 3.074 2.186 2.157 2.215 . 0 0 "[ . 1 .]" 1
124 1 10 GLN HA 1 11 ALA MB 3.254 . 4.577 3.946 3.906 3.976 . 0 0 "[ . 1 .]" 1
125 1 10 GLN HA 1 30 ILE HA 2.768 . 3.726 2.086 2.015 2.188 . 0 0 "[ . 1 .]" 1
126 1 10 GLN HA 1 30 ILE MD 3.086 . 4.277 3.597 3.456 3.837 . 0 0 "[ . 1 .]" 1
127 1 10 GLN HA 1 30 ILE HG12 2.991 . 4.110 4.161 4.132 4.202 0.092 2 0 "[ . 1 .]" 1
128 1 10 GLN HA 1 30 ILE HG13 2.773 . 3.734 2.460 2.425 2.543 . 0 0 "[ . 1 .]" 1
129 1 10 GLN HA 1 30 ILE MG 3.871 . 5.744 3.566 3.366 3.803 . 0 0 "[ . 1 .]" 1
130 1 10 GLN HA 1 31 VAL H 2.521 . 3.315 3.287 3.190 3.386 0.071 4 0 "[ . 1 .]" 1
131 1 10 GLN HA 1 31 VAL MG2 5.534 . 9.362 4.946 4.725 5.284 . 0 0 "[ . 1 .]" 1
132 1 10 GLN HA 1 60 VAL MG1 3.531 . 5.089 4.189 4.031 4.356 . 0 0 "[ . 1 .]" 1
133 1 10 GLN HB2 1 11 ALA H 2.958 . 4.052 4.150 3.968 4.228 0.176 7 0 "[ . 1 .]" 1
134 1 10 GLN HB2 1 63 LEU MD1 3.774 . 5.555 1.960 1.446 2.436 0.547 14 1 "[ . 1 +.]" 1
135 1 10 GLN HB3 1 61 LYS HG2 3.147 . 4.385 2.903 2.133 3.886 . 0 0 "[ . 1 .]" 1
136 1 10 GLN HB3 1 63 LEU MD1 3.116 . 4.329 3.327 2.720 3.858 . 0 0 "[ . 1 .]" 1
137 1 10 GLN HE21 1 30 ILE MD 3.602 . 5.224 2.500 1.616 4.017 0.364 9 0 "[ . 1 .]" 1
138 1 10 GLN HE22 1 30 ILE MD 3.466 . 4.967 3.439 2.544 4.345 . 0 0 "[ . 1 .]" 1
139 1 10 GLN HG2 1 11 ALA H 2.784 . 3.753 2.770 2.505 3.460 . 0 0 "[ . 1 .]" 1
140 1 10 GLN HG2 1 11 ALA MB 2.984 . 4.097 3.937 3.713 4.498 0.401 13 0 "[ . 1 .]" 1
141 1 10 GLN HG2 1 28 GLY H 3.186 . 4.454 3.784 3.431 4.211 . 0 0 "[ . 1 .]" 1
142 1 10 GLN HG2 1 28 GLY HA2 2.962 . 4.059 2.813 2.472 3.331 . 0 0 "[ . 1 .]" 1
143 1 10 GLN HG2 1 29 ASP H 3.638 . 5.293 4.563 4.077 5.477 0.184 13 0 "[ . 1 .]" 1
144 1 10 GLN HG2 1 30 ILE MD 2.921 . 3.988 3.845 3.485 4.678 0.690 1 4 "[+ -. 1 * *]" 1
145 1 10 GLN HG2 1 61 LYS HG2 3.172 . 4.430 4.282 3.237 5.174 0.744 7 3 "[ - + 1* .]" 1
146 1 10 GLN HG3 1 11 ALA MB 3.451 . 4.940 4.383 3.851 4.616 . 0 0 "[ . 1 .]" 1
147 1 11 ALA H 1 11 ALA MB 2.529 . 3.328 2.198 2.177 2.210 . 0 0 "[ . 1 .]" 1
148 1 11 ALA H 1 12 LEU H 3.350 . 4.753 4.515 4.473 4.565 . 0 0 "[ . 1 .]" 1
149 1 11 ALA H 1 28 GLY H 3.328 . 4.713 3.742 3.462 3.950 . 0 0 "[ . 1 .]" 1
150 1 11 ALA H 1 29 ASP H 3.056 . 4.224 3.607 3.426 3.779 . 0 0 "[ . 1 .]" 1
151 1 11 ALA H 1 29 ASP HA 3.448 . 4.934 4.603 4.535 4.704 . 0 0 "[ . 1 .]" 1
152 1 11 ALA H 1 29 ASP HB2 4.552 . 7.142 5.294 5.145 5.432 . 0 0 "[ . 1 .]" 1
153 1 11 ALA H 1 29 ASP HB3 3.855 . 5.713 4.168 4.020 4.394 . 0 0 "[ . 1 .]" 1
154 1 11 ALA H 1 30 ILE H 3.381 . 4.810 4.707 4.622 4.811 0.001 13 0 "[ . 1 .]" 1
155 1 11 ALA H 1 30 ILE HA 3.153 . 4.396 3.135 3.028 3.343 . 0 0 "[ . 1 .]" 1
156 1 11 ALA H 1 30 ILE MD 3.512 . 5.053 4.177 4.009 4.402 . 0 0 "[ . 1 .]" 1
157 1 11 ALA H 1 31 VAL H 3.448 . 4.934 4.357 4.145 4.573 . 0 0 "[ . 1 .]" 1
158 1 11 ALA H 1 60 VAL MG1 2.861 . 3.884 3.462 3.301 3.610 . 0 0 "[ . 1 .]" 1
159 1 11 ALA HA 1 12 LEU H 2.539 . 3.345 2.106 2.086 2.137 . 0 0 "[ . 1 .]" 1
160 1 11 ALA HA 1 12 LEU QD 4.087 . 6.175 4.112 3.895 4.242 . 0 0 "[ . 1 .]" 1
161 1 11 ALA HA 1 12 LEU HG 3.328 . 4.713 4.178 4.006 4.404 . 0 0 "[ . 1 .]" 1
162 1 11 ALA HA 1 28 GLY H 3.712 . 5.434 4.535 4.378 4.660 . 0 0 "[ . 1 .]" 1
163 1 11 ALA HA 1 60 VAL HA 1.721 . 2.091 2.114 1.992 2.175 0.084 7 0 "[ . 1 .]" 1
164 1 11 ALA HA 1 60 VAL MG1 2.563 . 3.384 1.767 1.706 1.865 0.036 7 0 "[ . 1 .]" 1
165 1 11 ALA HA 1 61 LYS H 3.047 . 4.207 3.750 3.509 3.871 . 0 0 "[ . 1 .]" 1
166 1 11 ALA MB 1 12 LEU H 3.044 . 4.202 2.991 2.852 3.149 . 0 0 "[ . 1 .]" 1
167 1 11 ALA MB 1 12 LEU HA 4.384 . 6.787 4.373 4.251 4.499 . 0 0 "[ . 1 .]" 1
168 1 11 ALA MB 1 13 TYR H 3.104 . 4.308 2.888 2.760 3.037 . 0 0 "[ . 1 .]" 1
169 1 11 ALA MB 1 27 ASP H 3.923 . 5.847 4.263 4.070 4.420 . 0 0 "[ . 1 .]" 1
170 1 11 ALA MB 1 27 ASP HA 2.831 . 3.833 3.076 2.640 3.320 . 0 0 "[ . 1 .]" 1
171 1 11 ALA MB 1 28 GLY H 2.671 . 3.563 2.435 2.290 2.572 . 0 0 "[ . 1 .]" 1
172 1 11 ALA MB 1 28 GLY HA2 2.965 . 4.064 3.988 3.936 4.022 . 0 0 "[ . 1 .]" 1
173 1 11 ALA MB 1 29 ASP H 2.626 . 3.488 2.342 2.262 2.405 . 0 0 "[ . 1 .]" 1
174 1 11 ALA MB 1 29 ASP HB2 3.077 . 4.260 3.881 3.570 3.999 . 0 0 "[ . 1 .]" 1
175 1 11 ALA MB 1 29 ASP HB3 2.581 . 3.413 2.923 2.724 3.146 . 0 0 "[ . 1 .]" 1
176 1 11 ALA MB 1 30 ILE H 4.158 . 6.319 4.944 4.835 5.081 . 0 0 "[ . 1 .]" 1
177 1 11 ALA MB 1 60 VAL HA 3.307 . 4.674 3.808 3.674 3.861 . 0 0 "[ . 1 .]" 1
178 1 11 ALA MB 1 60 VAL MG1 2.930 . 4.003 2.483 2.447 2.518 . 0 0 "[ . 1 .]" 1
179 1 12 LEU H 1 12 LEU HA 2.993 . 4.113 2.877 2.824 2.921 . 0 0 "[ . 1 .]" 1
180 1 12 LEU H 1 12 LEU QB . . 2.952 2.273 2.179 2.348 . 0 0 "[ . 1 .]" 1
181 1 12 LEU H 1 12 LEU QD 3.376 . 4.801 2.932 2.711 3.112 . 0 0 "[ . 1 .]" 1
182 1 12 LEU H 1 12 LEU HG 2.915 . 3.977 2.818 2.627 2.912 . 0 0 "[ . 1 .]" 1
183 1 12 LEU H 1 13 TYR H 2.542 . 3.350 2.371 2.180 2.571 . 0 0 "[ . 1 .]" 1
184 1 12 LEU H 1 60 VAL H 3.939 . 5.878 4.184 4.095 4.264 . 0 0 "[ . 1 .]" 1
185 1 12 LEU H 1 60 VAL HA 2.355 . 3.048 2.426 2.281 2.556 . 0 0 "[ . 1 .]" 1
186 1 12 LEU H 1 61 LYS H 3.129 . 4.353 4.290 4.055 4.433 0.080 5 0 "[ . 1 .]" 1
187 1 12 LEU HA 1 12 LEU QD 2.233 . 2.856 2.530 2.355 2.701 . 0 0 "[ . 1 .]" 1
188 1 12 LEU HA 1 12 LEU HG 2.022 . 2.533 2.558 2.492 2.635 0.102 8 0 "[ . 1 .]" 1
189 1 12 LEU HA 1 13 TYR H 3.393 . 4.832 3.484 3.453 3.516 . 0 0 "[ . 1 .]" 1
190 1 12 LEU HA 1 27 ASP HA 3.377 . 4.802 4.510 4.047 4.893 0.091 6 0 "[ . 1 .]" 1
191 1 12 LEU QB 1 12 LEU QD 2.403 . 3.125 1.866 1.847 1.885 . 0 0 "[ . 1 .]" 1
192 1 12 LEU QB 1 12 LEU HG 2.945 . 4.029 2.502 2.473 2.521 . 0 0 "[ . 1 .]" 1
193 1 12 LEU QB 1 13 TYR H 2.988 . 3.934 2.741 2.574 2.909 . 0 0 "[ . 1 .]" 1
194 1 12 LEU QB 1 13 TYR QD 2.483 . 3.254 2.348 1.891 2.666 . 0 0 "[ . 1 .]" 1
195 1 12 LEU QB 1 59 TYR HA 2.394 . 3.111 2.889 2.699 3.125 0.014 14 0 "[ . 1 .]" 1
196 1 12 LEU QD 1 12 LEU HG 1.863 . 2.297 1.891 1.889 1.894 . 0 0 "[ . 1 .]" 1
197 1 12 LEU QD 1 13 TYR H 3.548 . 5.121 4.086 3.926 4.188 . 0 0 "[ . 1 .]" 1
198 1 12 LEU QD 1 13 TYR QD 3.353 . 4.758 3.482 3.273 3.640 . 0 0 "[ . 1 .]" 1
199 1 12 LEU QD 1 59 TYR HA 2.375 . 3.080 2.842 2.737 2.972 . 0 0 "[ . 1 .]" 1
200 1 12 LEU QD 1 60 VAL H 2.067 . 2.601 2.629 2.603 2.676 0.075 4 0 "[ . 1 .]" 1
201 1 12 LEU QD 1 60 VAL HA 2.652 . 3.531 2.832 2.639 2.956 . 0 0 "[ . 1 .]" 1
202 1 12 LEU QD 1 61 LYS HA 3.170 . 4.426 3.325 3.099 3.615 . 0 0 "[ . 1 .]" 1
203 1 12 LEU QD 1 61 LYS HB2 3.243 . 4.558 3.557 3.268 4.001 . 0 0 "[ . 1 .]" 1
204 1 12 LEU QD 1 61 LYS HB3 4.670 . 7.396 2.390 2.114 2.772 . 0 0 "[ . 1 .]" 1
205 1 12 LEU QD 1 61 LYS HD3 3.635 . 5.287 3.346 2.059 3.970 . 0 0 "[ . 1 .]" 1
206 1 12 LEU QD 1 61 LYS HE3 3.192 . 4.466 2.278 1.448 4.029 0.470 7 0 "[ . 1 .]" 1
207 1 12 LEU HG 1 13 TYR H 3.271 . 4.609 4.625 4.555 4.663 0.054 7 0 "[ . 1 .]" 1
208 1 12 LEU HG 1 60 VAL HA 2.738 . 3.675 3.252 3.074 3.469 . 0 0 "[ . 1 .]" 1
209 1 12 LEU HG 1 61 LYS H 3.589 . 5.199 3.680 3.437 3.891 . 0 0 "[ . 1 .]" 1
210 1 13 TYR H 1 13 TYR HA 2.639 . 3.510 2.909 2.842 2.940 . 0 0 "[ . 1 .]" 1
211 1 13 TYR H 1 13 TYR QB 3.038 . 4.038 2.932 2.684 3.346 . 0 0 "[ . 1 .]" 1
212 1 13 TYR H 1 13 TYR QD 2.854 . 3.872 3.113 2.882 3.373 . 0 0 "[ . 1 .]" 1
213 1 13 TYR H 1 14 SER H 3.596 . 5.212 4.387 4.343 4.420 . 0 0 "[ . 1 .]" 1
214 1 13 TYR H 1 27 ASP HA 4.028 . 6.056 3.608 3.367 3.743 . 0 0 "[ . 1 .]" 1
215 1 13 TYR H 1 59 TYR HA 3.159 . 4.407 4.163 3.887 4.374 . 0 0 "[ . 1 .]" 1
216 1 13 TYR HA 1 13 TYR QB 2.656 . 3.243 2.296 2.168 2.373 . 0 0 "[ . 1 .]" 1
217 1 13 TYR HA 1 14 SER H 2.317 . 2.988 2.443 2.377 2.596 . 0 0 "[ . 1 .]" 1
218 1 13 TYR HA 1 27 ASP HB2 3.063 . 4.236 2.632 2.404 2.748 . 0 0 "[ . 1 .]" 1
219 1 13 TYR HA 1 27 ASP HB3 3.140 . 4.373 4.266 3.720 4.476 0.103 12 0 "[ . 1 .]" 1
220 1 13 TYR QB 1 13 TYR QD . . 2.479 2.134 2.128 2.139 . 0 0 "[ . 1 .]" 1
221 1 13 TYR QB 1 14 SER H 2.770 . 3.475 2.293 2.017 2.445 . 0 0 "[ . 1 .]" 1
222 1 13 TYR QD 1 14 SER H 4.502 . 7.035 3.753 3.171 4.146 . 0 0 "[ . 1 .]" 1
223 1 14 SER H 1 14 SER HB3 2.738 . 3.675 3.517 2.961 3.679 0.004 5 0 "[ . 1 .]" 1
224 1 14 SER H 1 15 TYR H 3.946 . 5.892 4.458 4.351 4.622 . 0 0 "[ . 1 .]" 1
225 1 14 SER H 1 27 ASP HA 3.607 . 5.233 4.095 3.490 4.849 . 0 0 "[ . 1 .]" 1
226 1 14 SER HA 1 15 TYR H 2.482 . 3.252 2.176 2.130 2.256 . 0 0 "[ . 1 .]" 1
227 1 14 SER HA 1 25 LEU HB3 2.772 . 3.733 3.924 3.588 4.155 0.422 1 0 "[ . 1 .]" 1
228 1 14 SER HA 1 26 ARG H 3.451 . 4.940 3.871 3.656 4.043 . 0 0 "[ . 1 .]" 1
229 1 14 SER HA 1 26 ARG HA 2.376 . 3.082 1.954 1.790 2.292 . 0 0 "[ . 1 .]" 1
230 1 14 SER HA 1 27 ASP H 2.131 . 2.699 2.772 2.727 2.808 0.109 1 0 "[ . 1 .]" 1
231 1 14 SER HA 1 27 ASP HB2 3.102 . 4.305 4.257 3.951 4.386 0.081 8 0 "[ . 1 .]" 1
232 1 14 SER HA 1 27 ASP HB3 3.645 . 5.306 5.042 4.731 5.336 0.030 14 0 "[ . 1 .]" 1
233 1 14 SER HB3 1 15 TYR H 2.627 . 3.489 3.454 2.891 4.236 0.747 1 3 "[+ . -*1 .]" 1
234 1 14 SER HB3 1 16 ILE MD 3.811 . 5.627 4.545 4.053 5.865 0.238 9 0 "[ . 1 .]" 1
235 1 14 SER HB3 1 27 ASP H 3.287 . 4.637 3.131 1.788 3.510 0.149 9 0 "[ . 1 .]" 1
236 1 15 TYR H 1 15 TYR HB2 2.968 . 4.069 3.160 2.919 3.347 . 0 0 "[ . 1 .]" 1
237 1 15 TYR H 1 15 TYR HB3 3.371 . 4.792 2.705 2.495 2.927 . 0 0 "[ . 1 .]" 1
238 1 15 TYR H 1 15 TYR HD2 3.585 . 5.191 4.648 4.350 5.041 . 0 0 "[ . 1 .]" 1
239 1 15 TYR H 1 16 ILE H 3.504 . 5.039 4.336 4.242 4.431 . 0 0 "[ . 1 .]" 1
240 1 15 TYR H 1 16 ILE MD 4.527 . 7.089 4.387 4.067 4.607 . 0 0 "[ . 1 .]" 1
241 1 15 TYR H 1 25 LEU H 2.913 . 3.973 3.268 3.084 3.391 . 0 0 "[ . 1 .]" 1
242 1 15 TYR H 1 25 LEU HB2 3.880 . 5.762 2.328 2.128 2.547 . 0 0 "[ . 1 .]" 1
243 1 15 TYR H 1 25 LEU HB3 2.888 . 3.930 3.436 2.972 3.641 . 0 0 "[ . 1 .]" 1
244 1 15 TYR H 1 25 LEU MD1 3.297 . 4.656 4.082 3.857 4.293 . 0 0 "[ . 1 .]" 1
245 1 15 TYR H 1 25 LEU HG 4.354 . 6.723 4.601 4.471 4.786 . 0 0 "[ . 1 .]" 1
246 1 15 TYR H 1 26 ARG H 3.086 . 4.276 4.344 4.261 4.451 0.175 6 0 "[ . 1 .]" 1
247 1 15 TYR H 1 27 ASP H 3.746 . 5.500 4.853 4.797 4.905 . 0 0 "[ . 1 .]" 1
248 1 15 TYR HA 1 15 TYR HB2 2.888 . 3.930 2.462 2.390 2.572 . 0 0 "[ . 1 .]" 1
249 1 15 TYR HA 1 15 TYR HB3 2.738 . 3.675 3.020 3.011 3.026 . 0 0 "[ . 1 .]" 1
250 1 15 TYR HA 1 15 TYR HD2 3.121 . 4.339 4.279 4.188 4.378 0.039 14 0 "[ . 1 .]" 1
251 1 15 TYR HA 1 16 ILE H 2.317 . 2.988 2.131 2.092 2.177 . 0 0 "[ . 1 .]" 1
252 1 15 TYR HA 1 16 ILE HB 3.171 . 4.428 4.497 4.481 4.517 0.089 13 0 "[ . 1 .]" 1
253 1 15 TYR HA 1 16 ILE HG12 3.270 . 4.606 3.749 3.666 3.892 . 0 0 "[ . 1 .]" 1
254 1 15 TYR HB2 1 15 TYR HD2 3.652 . 5.319 3.564 3.493 3.597 . 0 0 "[ . 1 .]" 1
255 1 15 TYR HB2 1 16 ILE H 3.197 . 4.474 4.087 3.924 4.256 . 0 0 "[ . 1 .]" 1
256 1 15 TYR HB2 1 25 LEU HB2 3.172 . 4.430 3.006 2.807 3.183 . 0 0 "[ . 1 .]" 1
257 1 15 TYR HB2 1 25 LEU HB3 3.180 . 4.444 4.203 3.725 4.502 0.058 8 0 "[ . 1 .]" 1
258 1 15 TYR HB2 1 25 LEU MD1 2.407 . 3.131 2.911 2.666 3.044 . 0 0 "[ . 1 .]" 1
259 1 15 TYR HB2 1 25 LEU MD2 3.704 . 5.419 5.241 4.886 5.428 0.009 12 0 "[ . 1 .]" 1
260 1 15 TYR HB2 1 25 LEU HG 3.278 . 4.621 4.744 4.626 4.887 0.266 12 0 "[ . 1 .]" 1
261 1 15 TYR HB3 1 15 TYR HE2 3.652 . 5.319 4.617 4.606 4.634 . 0 0 "[ . 1 .]" 1
262 1 15 TYR HB3 1 16 ILE H 3.071 . 4.250 4.051 3.932 4.127 . 0 0 "[ . 1 .]" 1
263 1 15 TYR HB3 1 25 LEU H 3.339 . 4.733 3.193 3.047 3.362 . 0 0 "[ . 1 .]" 1
264 1 15 TYR HB3 1 25 LEU HB2 3.389 . 4.825 1.822 1.760 1.895 0.193 12 0 "[ . 1 .]" 1
265 1 15 TYR HB3 1 25 LEU HB3 2.839 . 3.847 3.424 3.288 3.493 . 0 0 "[ . 1 .]" 1
266 1 15 TYR HB3 1 25 LEU MD1 3.069 . 4.247 2.133 1.925 2.268 . 0 0 "[ . 1 .]" 1
267 1 15 TYR HD2 1 16 ILE H 2.994 . 4.115 4.182 4.127 4.234 0.119 1 0 "[ . 1 .]" 1
268 1 15 TYR HD2 1 25 LEU H 3.893 . 5.787 3.599 3.037 4.436 . 0 0 "[ . 1 .]" 1
269 1 15 TYR HD2 1 25 LEU MD1 3.030 . 4.177 2.805 2.541 3.000 . 0 0 "[ . 1 .]" 1
270 1 15 TYR HE2 1 16 ILE H 5.527 . 9.346 5.155 5.046 5.240 . 0 0 "[ . 1 .]" 1
271 1 15 TYR HE2 1 18 GLN H 3.619 . 5.256 3.502 3.041 3.956 . 0 0 "[ . 1 .]" 1
272 1 16 ILE H 1 16 ILE HA 2.926 . 3.996 2.928 2.906 2.940 . 0 0 "[ . 1 .]" 1
273 1 16 ILE H 1 16 ILE HB 2.487 . 3.260 2.476 2.426 2.522 . 0 0 "[ . 1 .]" 1
274 1 16 ILE H 1 16 ILE MD 2.822 . 3.817 3.551 3.455 3.596 . 0 0 "[ . 1 .]" 1
275 1 16 ILE H 1 16 ILE HG12 2.915 . 3.977 2.663 2.500 2.811 . 0 0 "[ . 1 .]" 1
276 1 16 ILE H 1 16 ILE HG13 3.094 . 4.290 3.999 3.863 4.130 . 0 0 "[ . 1 .]" 1
277 1 16 ILE H 1 16 ILE MG 3.281 . 4.627 3.778 3.755 3.799 . 0 0 "[ . 1 .]" 1
278 1 16 ILE H 1 17 PRO HD3 3.165 . 4.417 4.206 4.066 4.332 . 0 0 "[ . 1 .]" 1
279 1 16 ILE HA 1 16 ILE HB 2.351 . 3.042 3.021 3.019 3.024 . 0 0 "[ . 1 .]" 1
280 1 16 ILE HA 1 16 ILE MD 2.969 . 4.071 1.938 1.884 1.969 . 0 0 "[ . 1 .]" 1
281 1 16 ILE HA 1 17 PRO HD2 2.606 . 3.455 2.458 2.382 2.541 . 0 0 "[ . 1 .]" 1
282 1 16 ILE HA 1 17 PRO HD3 2.481 . 3.251 1.904 1.837 1.967 . 0 0 "[ . 1 .]" 1
283 1 16 ILE HA 1 24 GLU HG2 3.106 . 4.312 3.205 2.959 3.479 . 0 0 "[ . 1 .]" 1
284 1 16 ILE HB 1 16 ILE MD 2.774 . 3.736 3.233 3.230 3.236 . 0 0 "[ . 1 .]" 1
285 1 16 ILE HB 1 17 PRO HD3 3.618 . 5.254 4.729 4.677 4.769 . 0 0 "[ . 1 .]" 1
286 1 16 ILE MD 1 16 ILE HG12 2.498 . 3.278 2.118 2.116 2.122 . 0 0 "[ . 1 .]" 1
287 1 16 ILE MD 1 16 ILE HG13 2.465 . 3.225 2.121 2.118 2.124 . 0 0 "[ . 1 .]" 1
288 1 16 ILE MD 1 17 PRO HD2 2.806 . 3.790 3.377 3.272 3.451 . 0 0 "[ . 1 .]" 1
289 1 16 ILE MD 1 17 PRO HD3 2.868 . 3.896 3.194 3.085 3.301 . 0 0 "[ . 1 .]" 1
290 1 16 ILE MD 1 24 GLU HG2 3.081 . 4.268 3.096 2.807 3.467 . 0 0 "[ . 1 .]" 1
291 1 16 ILE MD 1 24 GLU HG3 3.542 . 5.110 4.407 4.114 4.617 . 0 0 "[ . 1 .]" 1
292 1 17 PRO HA 1 17 PRO HB2 2.545 . 3.355 2.967 2.945 2.981 . 0 0 "[ . 1 .]" 1
293 1 17 PRO HA 1 17 PRO HB3 2.645 . 3.519 2.292 2.282 2.304 . 0 0 "[ . 1 .]" 1
294 1 17 PRO HA 1 17 PRO HG2 3.173 . 4.432 3.944 3.910 3.997 . 0 0 "[ . 1 .]" 1
295 1 17 PRO HA 1 18 GLN H 2.513 . 3.303 2.166 2.112 2.227 . 0 0 "[ . 1 .]" 1
296 1 17 PRO HA 1 18 GLN QG 2.683 . 3.583 3.539 3.409 3.587 0.004 3 0 "[ . 1 .]" 1
297 1 17 PRO HA 1 19 ASN H 2.919 . 3.984 3.590 3.410 3.761 . 0 0 "[ . 1 .]" 1
298 1 17 PRO HA 1 22 GLU HB2 3.417 . 4.876 3.547 3.293 3.808 . 0 0 "[ . 1 .]" 1
299 1 17 PRO HA 1 22 GLU HB3 3.064 . 4.238 3.768 3.305 4.086 . 0 0 "[ . 1 .]" 1
300 1 17 PRO HB2 1 17 PRO HD2 2.302 . 2.964 2.916 2.876 2.946 . 0 0 "[ . 1 .]" 1
301 1 17 PRO HB2 1 17 PRO HD3 2.836 . 3.841 3.860 3.840 3.878 0.037 6 0 "[ . 1 .]" 1
302 1 17 PRO HB3 1 17 PRO HD2 3.334 . 4.723 3.875 3.863 3.886 . 0 0 "[ . 1 .]" 1
303 1 17 PRO HB3 1 17 PRO HD3 3.303 . 4.667 4.055 4.046 4.069 . 0 0 "[ . 1 .]" 1
304 1 17 PRO HB3 1 19 ASN H 2.740 . 3.679 3.231 2.988 3.582 . 0 0 "[ . 1 .]" 1
305 1 17 PRO HB3 1 22 GLU H 2.805 . 3.789 3.691 3.403 3.834 0.045 9 0 "[ . 1 .]" 1
306 1 17 PRO HD2 1 24 GLU HA 2.849 . 3.864 3.441 3.239 3.625 . 0 0 "[ . 1 .]" 1
307 1 17 PRO HD2 1 24 GLU HG2 2.992 . 4.111 2.560 2.200 2.850 . 0 0 "[ . 1 .]" 1
308 1 17 PRO HD2 1 24 GLU HG3 3.183 . 4.449 2.819 2.390 3.077 . 0 0 "[ . 1 .]" 1
309 1 17 PRO HD2 1 25 LEU H 3.513 . 5.056 4.794 4.622 5.072 0.016 4 0 "[ . 1 .]" 1
310 1 17 PRO HD3 1 17 PRO HG2 2.545 . 3.355 2.679 2.669 2.689 . 0 0 "[ . 1 .]" 1
311 1 17 PRO HD3 1 17 PRO HG3 2.722 . 3.648 2.315 2.310 2.324 . 0 0 "[ . 1 .]" 1
312 1 17 PRO HD3 1 24 GLU HA 2.671 . 3.563 2.337 2.135 2.536 . 0 0 "[ . 1 .]" 1
313 1 17 PRO HD3 1 24 GLU HG2 3.117 . 4.331 2.376 2.120 2.578 . 0 0 "[ . 1 .]" 1
314 1 17 PRO HD3 1 24 GLU HG3 3.893 . 5.787 3.233 2.943 3.414 . 0 0 "[ . 1 .]" 1
315 1 17 PRO HD3 1 25 LEU H 3.680 . 5.373 3.140 2.942 3.408 . 0 0 "[ . 1 .]" 1
316 1 17 PRO HG2 1 19 ASN H 4.260 . 6.529 5.437 5.009 5.951 . 0 0 "[ . 1 .]" 1
317 1 17 PRO HG2 1 24 GLU HA 3.111 . 4.321 2.752 2.598 3.001 . 0 0 "[ . 1 .]" 1
318 1 17 PRO HG2 1 24 GLU HG2 3.086 . 4.277 3.187 2.736 3.521 . 0 0 "[ . 1 .]" 1
319 1 17 PRO HG3 1 24 GLU H 3.638 . 5.293 4.050 3.922 4.226 . 0 0 "[ . 1 .]" 1
320 1 17 PRO HG3 1 24 GLU HA 3.155 . 4.400 2.437 2.189 2.605 . 0 0 "[ . 1 .]" 1
321 1 17 PRO HG3 1 24 GLU HG2 3.300 . 4.661 3.792 3.400 4.031 . 0 0 "[ . 1 .]" 1
322 1 17 PRO HG3 1 25 LEU MD1 3.766 . 5.539 4.957 4.789 5.035 . 0 0 "[ . 1 .]" 1
323 1 18 GLN H 1 18 GLN HA 2.245 . 2.875 2.900 2.859 2.933 0.058 2 0 "[ . 1 .]" 1
324 1 18 GLN H 1 18 GLN HB2 3.013 . 4.148 2.522 2.465 2.614 . 0 0 "[ . 1 .]" 1
325 1 18 GLN H 1 18 GLN HB3 2.744 . 3.685 3.634 3.585 3.694 0.009 2 0 "[ . 1 .]" 1
326 1 18 GLN H 1 18 GLN QG 3.267 . 4.050 2.323 2.094 2.648 . 0 0 "[ . 1 .]" 1
327 1 18 GLN H 1 19 ASN H 2.499 . 3.279 2.172 1.990 2.423 . 0 0 "[ . 1 .]" 1
328 1 18 GLN H 1 19 ASN HB3 4.169 . 6.341 5.684 5.358 6.023 . 0 0 "[ . 1 .]" 1
329 1 18 GLN HA 1 18 GLN HB2 2.578 . 3.408 3.022 3.018 3.026 . 0 0 "[ . 1 .]" 1
330 1 18 GLN HA 1 18 GLN HB3 2.119 . 2.680 2.443 2.398 2.477 . 0 0 "[ . 1 .]" 1
331 1 18 GLN HA 1 18 GLN QG 2.952 . 3.826 2.770 2.384 3.009 . 0 0 "[ . 1 .]" 1
332 1 18 GLN HA 1 19 ASN H 2.962 . 4.059 3.355 3.243 3.456 . 0 0 "[ . 1 .]" 1
333 1 18 GLN HA 1 19 ASN HB2 3.744 . 5.496 5.664 5.550 6.386 0.890 1 1 "[+ . 1 .]" 1
334 1 18 GLN HB2 1 19 ASN H 2.580 . 3.412 3.086 2.629 3.396 . 0 0 "[ . 1 .]" 1
335 1 18 GLN HB3 1 19 ASN H 3.307 . 4.674 4.062 3.748 4.236 . 0 0 "[ . 1 .]" 1
336 1 18 GLN QG 1 19 ASN H 3.219 . 4.514 4.041 3.751 4.246 . 0 0 "[ . 1 .]" 1
337 1 19 ASN H 1 19 ASN HA 2.695 . 3.603 2.941 2.909 2.950 . 0 0 "[ . 1 .]" 1
338 1 19 ASN H 1 19 ASN HB2 3.256 . 4.581 2.594 2.249 3.820 . 0 0 "[ . 1 .]" 1
339 1 19 ASN H 1 19 ASN HB3 3.100 . 4.301 3.678 3.505 3.835 . 0 0 "[ . 1 .]" 1
340 1 19 ASN H 1 19 ASN HD22 3.893 . 5.787 4.579 3.599 5.539 . 0 0 "[ . 1 .]" 1
341 1 19 ASN HA 1 19 ASN HB2 2.620 . 3.478 2.984 2.574 3.026 . 0 0 "[ . 1 .]" 1
342 1 19 ASN HA 1 19 ASN HB3 2.157 . 2.738 2.535 2.335 2.664 . 0 0 "[ . 1 .]" 1
343 1 19 ASN HA 1 20 ASP H 2.148 . 2.725 2.262 2.202 2.357 . 0 0 "[ . 1 .]" 1
344 1 19 ASN HB2 1 20 ASP H 5.037 . 8.209 3.912 2.448 4.197 . 0 0 "[ . 1 .]" 1
345 1 19 ASN HB2 1 22 GLU H 3.056 . 4.223 3.341 3.008 3.675 . 0 0 "[ . 1 .]" 1
346 1 19 ASN HB3 1 20 ASP H 2.317 . 2.988 2.944 2.638 3.561 0.573 1 1 "[+ . 1 .]" 1
347 1 19 ASN HB3 1 22 GLU H 2.726 . 3.655 3.644 3.273 4.570 0.915 1 1 "[+ . 1 .]" 1
348 1 20 ASP H 1 20 ASP HA 2.893 . 3.939 2.876 2.849 2.900 . 0 0 "[ . 1 .]" 1
349 1 20 ASP H 1 20 ASP HB2 4.153 . 6.309 3.159 2.550 3.668 . 0 0 "[ . 1 .]" 1
350 1 20 ASP H 1 22 GLU H 3.222 . 4.520 4.128 3.962 4.628 0.108 3 0 "[ . 1 .]" 1
351 1 20 ASP HA 1 20 ASP HB2 2.350 . 3.040 2.461 2.395 2.559 . 0 0 "[ . 1 .]" 1
352 1 20 ASP HA 1 20 ASP HB3 2.069 . 2.604 2.725 2.358 3.033 0.429 10 0 "[ . 1 .]" 1
353 1 20 ASP HA 1 21 ASP H 3.054 . 4.220 3.218 2.217 3.375 . 0 0 "[ . 1 .]" 1
354 1 20 ASP HA 1 22 GLU H 3.017 . 4.155 3.404 3.131 3.766 . 0 0 "[ . 1 .]" 1
355 1 21 ASP H 1 21 ASP HA 2.639 . 3.510 2.879 2.775 2.947 . 0 0 "[ . 1 .]" 1
356 1 21 ASP H 1 21 ASP QB 2.665 . 3.430 2.375 2.202 2.975 . 0 0 "[ . 1 .]" 1
357 1 21 ASP H 1 22 GLU H 2.545 . 3.355 2.299 1.601 2.499 0.134 3 0 "[ . 1 .]" 1
358 1 21 ASP HA 1 21 ASP QB 2.445 . 2.793 2.369 2.314 2.465 . 0 0 "[ . 1 .]" 1
359 1 21 ASP HA 1 22 GLU H 2.979 . 4.088 3.353 3.286 3.435 . 0 0 "[ . 1 .]" 1
360 1 21 ASP QB 1 22 GLU H 2.510 . 3.298 3.158 2.921 3.287 . 0 0 "[ . 1 .]" 1
361 1 22 GLU H 1 22 GLU HA 2.969 . 4.071 2.914 2.901 2.920 . 0 0 "[ . 1 .]" 1
362 1 22 GLU H 1 22 GLU HB2 2.595 . 3.437 2.366 2.313 2.416 . 0 0 "[ . 1 .]" 1
363 1 22 GLU H 1 22 GLU HB3 2.843 . 3.853 3.603 3.580 3.633 . 0 0 "[ . 1 .]" 1
364 1 22 GLU H 1 23 LEU H 3.247 . 4.565 4.520 4.478 4.552 . 0 0 "[ . 1 .]" 1
365 1 22 GLU HA 1 22 GLU HB3 2.158 . 2.740 2.542 2.511 2.604 . 0 0 "[ . 1 .]" 1
366 1 22 GLU HA 1 22 GLU HG2 3.134 . 4.362 2.592 2.477 2.743 . 0 0 "[ . 1 .]" 1
367 1 22 GLU HA 1 22 GLU HG3 3.291 . 4.645 2.820 2.710 2.940 . 0 0 "[ . 1 .]" 1
368 1 22 GLU HA 1 23 LEU H 2.657 . 3.540 2.419 2.353 2.520 . 0 0 "[ . 1 .]" 1
369 1 22 GLU HA 1 53 GLY HA3 3.160 . 4.409 3.551 3.255 3.793 . 0 0 "[ . 1 .]" 1
370 1 22 GLU HA 1 54 THR H 2.409 . 3.135 2.245 2.086 2.459 . 0 0 "[ . 1 .]" 1
371 1 22 GLU HA 1 54 THR HB 3.736 . 5.481 4.509 4.302 4.709 . 0 0 "[ . 1 .]" 1
372 1 22 GLU HA 1 54 THR MG 2.869 . 3.898 1.887 1.768 2.105 0.072 5 0 "[ . 1 .]" 1
373 1 22 GLU HB2 1 23 LEU H 2.684 . 3.584 3.584 3.434 3.711 0.127 1 0 "[ . 1 .]" 1
374 1 22 GLU HB3 1 23 LEU H 2.912 . 3.972 2.260 2.061 2.423 . 0 0 "[ . 1 .]" 1
375 1 22 GLU HG2 1 54 THR MG 2.064 . 2.597 2.025 1.598 2.445 . 0 0 "[ . 1 .]" 1
376 1 22 GLU HG3 1 54 THR MG 2.030 . 2.545 2.537 2.492 2.584 0.039 14 0 "[ . 1 .]" 1
377 1 23 LEU H 1 23 LEU HB2 2.864 . 3.890 2.543 2.477 2.658 . 0 0 "[ . 1 .]" 1
378 1 23 LEU H 1 23 LEU HB3 2.851 . 3.867 2.733 2.664 2.811 . 0 0 "[ . 1 .]" 1
379 1 23 LEU H 1 23 LEU HG 3.798 . 5.601 4.715 4.668 4.768 . 0 0 "[ . 1 .]" 1
380 1 23 LEU H 1 24 GLU H 3.776 . 5.558 4.495 4.471 4.518 . 0 0 "[ . 1 .]" 1
381 1 23 LEU H 1 53 GLY HA3 3.672 . 5.357 4.329 4.136 4.621 . 0 0 "[ . 1 .]" 1
382 1 23 LEU H 1 54 THR H 2.914 . 3.976 3.665 3.530 3.919 . 0 0 "[ . 1 .]" 1
383 1 23 LEU H 1 54 THR MG 3.468 . 4.971 3.591 3.429 3.724 . 0 0 "[ . 1 .]" 1
384 1 23 LEU H 1 55 PHE HA 3.685 . 5.382 3.031 2.849 3.259 . 0 0 "[ . 1 .]" 1
385 1 23 LEU H 1 55 PHE HB2 3.685 . 5.382 4.124 3.969 4.269 . 0 0 "[ . 1 .]" 1
386 1 23 LEU HA 1 23 LEU HB3 2.979 . 4.089 3.004 2.992 3.018 . 0 0 "[ . 1 .]" 1
387 1 23 LEU HA 1 23 LEU MD1 2.938 . 4.017 2.900 2.745 3.150 . 0 0 "[ . 1 .]" 1
388 1 23 LEU HA 1 23 LEU MD2 2.741 . 3.680 1.764 1.664 1.866 0.138 13 0 "[ . 1 .]" 1
389 1 23 LEU HA 1 23 LEU HG 2.740 . 3.678 3.657 3.600 3.699 0.021 4 0 "[ . 1 .]" 1
390 1 23 LEU HA 1 24 GLU H 2.286 . 2.939 2.192 2.175 2.219 . 0 0 "[ . 1 .]" 1
391 1 23 LEU HA 1 24 GLU HB2 6.511 . 11.810 4.256 4.171 4.387 . 0 0 "[ . 1 .]" 1
392 1 23 LEU HA 1 24 GLU HG3 3.385 . 4.817 4.736 4.418 4.911 0.094 4 0 "[ . 1 .]" 1
393 1 23 LEU HB2 1 23 LEU MD1 3.041 . 4.197 3.182 3.143 3.197 . 0 0 "[ . 1 .]" 1
394 1 23 LEU HB2 1 23 LEU HG 2.841 . 3.850 2.358 2.315 2.377 . 0 0 "[ . 1 .]" 1
395 1 23 LEU HB2 1 24 GLU H 3.904 . 5.809 4.293 4.235 4.339 . 0 0 "[ . 1 .]" 1
396 1 23 LEU HB2 1 55 PHE HB2 3.087 . 4.279 4.306 4.139 4.360 0.081 7 0 "[ . 1 .]" 1
397 1 23 LEU HB2 1 55 PHE HB3 3.031 . 4.179 2.684 2.542 2.744 . 0 0 "[ . 1 .]" 1
398 1 23 LEU HB2 1 55 PHE HD1 2.834 . 3.838 3.770 3.478 3.864 0.026 15 0 "[ . 1 .]" 1
399 1 23 LEU HB3 1 23 LEU MD1 3.017 . 4.155 2.273 2.209 2.322 . 0 0 "[ . 1 .]" 1
400 1 23 LEU HB3 1 23 LEU HG 2.896 . 3.944 2.544 2.520 2.617 . 0 0 "[ . 1 .]" 1
401 1 23 LEU HB3 1 55 PHE HB2 2.596 . 3.439 3.077 2.969 3.200 . 0 0 "[ . 1 .]" 1
402 1 23 LEU HB3 1 55 PHE HB3 2.368 . 3.069 1.938 1.742 2.149 . 0 0 "[ . 1 .]" 1
403 1 23 LEU HB3 1 55 PHE HD1 3.042 . 4.199 3.989 3.735 4.213 0.014 8 0 "[ . 1 .]" 1
404 1 23 LEU MD1 1 24 GLU H 3.408 . 4.860 2.086 1.903 2.421 0.053 13 0 "[ . 1 .]" 1
405 1 23 LEU MD2 1 24 GLU H 2.790 . 3.763 2.316 1.789 2.551 0.028 5 0 "[ . 1 .]" 1
406 1 23 LEU MD2 1 45 THR HA 3.246 . 4.563 3.170 3.013 3.265 . 0 0 "[ . 1 .]" 1
407 1 23 LEU MD2 1 46 SER H 2.049 . 2.574 2.522 2.449 2.597 0.023 4 0 "[ . 1 .]" 1
408 1 23 LEU MD2 1 46 SER HA 3.072 . 4.251 4.092 4.031 4.146 . 0 0 "[ . 1 .]" 1
409 1 23 LEU MD2 1 46 SER HB2 2.578 . 3.408 2.497 2.430 2.583 . 0 0 "[ . 1 .]" 1
410 1 23 LEU MD2 1 46 SER HB3 2.652 . 3.531 3.042 2.880 3.213 . 0 0 "[ . 1 .]" 1
411 1 23 LEU MD2 1 51 GLN H 2.934 . 4.010 3.218 3.019 3.453 . 0 0 "[ . 1 .]" 1
412 1 23 LEU MD2 1 51 GLN HB2 2.257 . 2.893 2.532 2.486 2.582 . 0 0 "[ . 1 .]" 1
413 1 23 LEU MD2 1 51 GLN HB3 2.997 . 4.120 3.677 3.642 3.714 . 0 0 "[ . 1 .]" 1
414 1 23 LEU MD2 1 51 GLN HG2 2.909 . 3.967 3.140 2.990 3.295 . 0 0 "[ . 1 .]" 1
415 1 23 LEU MD2 1 51 GLN HG3 1.730 . 2.104 1.594 1.428 1.762 . 0 0 "[ . 1 .]" 1
416 1 23 LEU MD2 1 52 PHE H 3.269 . 4.605 3.607 3.452 3.814 . 0 0 "[ . 1 .]" 1
417 1 23 LEU MD2 1 52 PHE HA 3.091 . 4.285 3.106 2.883 3.254 . 0 0 "[ . 1 .]" 1
418 1 23 LEU MD2 1 53 GLY H 3.707 . 5.425 3.280 3.037 3.525 . 0 0 "[ . 1 .]" 1
419 1 23 LEU HG 1 24 GLU H 3.871 . 5.744 4.428 4.336 4.517 . 0 0 "[ . 1 .]" 1
420 1 23 LEU HG 1 45 THR HA 3.951 . 5.902 3.274 2.987 3.451 . 0 0 "[ . 1 .]" 1
421 1 23 LEU HG 1 45 THR HG1 4.758 . 7.588 5.267 4.988 5.478 . 0 0 "[ . 1 .]" 1
422 1 23 LEU HG 1 46 SER H 2.555 . 3.371 3.290 3.116 3.389 0.018 9 0 "[ . 1 .]" 1
423 1 23 LEU HG 1 46 SER HA 3.176 . 4.437 4.074 3.929 4.199 . 0 0 "[ . 1 .]" 1
424 1 23 LEU HG 1 46 SER HB2 2.516 . 3.307 3.415 3.373 3.468 0.161 3 0 "[ . 1 .]" 1
425 1 23 LEU HG 1 46 SER HB3 3.583 . 5.188 4.637 4.523 4.766 . 0 0 "[ . 1 .]" 1
426 1 23 LEU HG 1 51 GLN HB2 3.562 . 5.148 5.166 5.030 5.246 0.098 14 0 "[ . 1 .]" 1
427 1 23 LEU HG 1 52 PHE HA 3.545 . 5.116 4.293 3.936 4.697 . 0 0 "[ . 1 .]" 1
428 1 23 LEU HG 1 53 GLY H 3.184 . 4.451 4.171 3.728 4.451 . 0 0 "[ . 1 .]" 1
429 1 23 LEU HG 1 55 PHE HB2 5.062 . 8.265 5.096 4.935 5.283 . 0 0 "[ . 1 .]" 1
430 1 23 LEU HG 1 55 PHE HB3 3.704 . 5.419 3.744 3.540 3.984 . 0 0 "[ . 1 .]" 1
431 1 24 GLU H 1 24 GLU HA 2.949 . 4.036 2.866 2.856 2.876 . 0 0 "[ . 1 .]" 1
432 1 24 GLU H 1 24 GLU HB2 2.648 . 3.524 2.148 2.106 2.226 . 0 0 "[ . 1 .]" 1
433 1 24 GLU H 1 24 GLU HG2 3.295 . 4.652 4.166 4.015 4.337 . 0 0 "[ . 1 .]" 1
434 1 24 GLU H 1 24 GLU HG3 2.855 . 3.874 3.267 3.001 3.468 . 0 0 "[ . 1 .]" 1
435 1 24 GLU HA 1 24 GLU HG2 2.021 . 2.531 2.327 2.192 2.433 . 0 0 "[ . 1 .]" 1
436 1 24 GLU HA 1 24 GLU HG3 2.869 . 3.898 2.679 2.470 2.792 . 0 0 "[ . 1 .]" 1
437 1 24 GLU HA 1 25 LEU H 2.407 . 3.131 2.107 2.085 2.141 . 0 0 "[ . 1 .]" 1
438 1 24 GLU HG2 1 25 LEU H 2.656 . 3.538 3.692 3.626 3.775 0.237 12 0 "[ . 1 .]" 1
439 1 24 GLU HG3 1 25 LEU H 3.581 . 5.184 4.648 4.430 4.773 . 0 0 "[ . 1 .]" 1
440 1 25 LEU H 1 25 LEU HB2 3.140 . 4.372 2.536 2.447 2.590 . 0 0 "[ . 1 .]" 1
441 1 25 LEU H 1 25 LEU HB3 2.901 . 3.953 3.670 3.630 3.705 . 0 0 "[ . 1 .]" 1
442 1 25 LEU H 1 25 LEU MD1 2.950 . 4.038 3.729 3.582 3.802 . 0 0 "[ . 1 .]" 1
443 1 25 LEU H 1 25 LEU MD2 4.660 . 7.374 3.586 3.488 3.766 . 0 0 "[ . 1 .]" 1
444 1 25 LEU H 1 25 LEU HG 3.066 . 4.241 2.572 2.378 2.784 . 0 0 "[ . 1 .]" 1
445 1 25 LEU HA 1 25 LEU HB2 2.856 . 3.876 3.012 3.005 3.017 . 0 0 "[ . 1 .]" 1
446 1 25 LEU HA 1 25 LEU HB3 2.931 . 4.005 2.439 2.410 2.475 . 0 0 "[ . 1 .]" 1
447 1 25 LEU HA 1 25 LEU MD1 3.291 . 4.645 3.884 3.855 3.913 . 0 0 "[ . 1 .]" 1
448 1 25 LEU HA 1 25 LEU MD2 2.548 . 3.360 2.091 1.986 2.175 . 0 0 "[ . 1 .]" 1
449 1 25 LEU HA 1 25 LEU HG 3.179 . 4.442 3.098 3.029 3.149 . 0 0 "[ . 1 .]" 1
450 1 25 LEU HA 1 26 ARG H 2.375 . 3.080 2.170 2.132 2.214 . 0 0 "[ . 1 .]" 1
451 1 25 LEU HB2 1 25 LEU MD1 2.822 . 3.817 2.306 2.281 2.353 . 0 0 "[ . 1 .]" 1
452 1 25 LEU HB2 1 25 LEU MD2 2.850 . 3.865 3.193 3.184 3.200 . 0 0 "[ . 1 .]" 1
453 1 25 LEU HB2 1 26 ARG H 3.073 . 4.254 4.022 3.888 4.155 . 0 0 "[ . 1 .]" 1
454 1 25 LEU HB3 1 25 LEU MD1 2.717 . 3.640 2.412 2.374 2.441 . 0 0 "[ . 1 .]" 1
455 1 25 LEU HB3 1 25 LEU MD2 2.801 . 3.782 2.325 2.286 2.365 . 0 0 "[ . 1 .]" 1
456 1 25 LEU HB3 1 25 LEU HG 2.704 . 3.618 3.017 3.014 3.022 . 0 0 "[ . 1 .]" 1
457 1 25 LEU MD1 1 25 LEU HG 2.387 . 3.099 2.122 2.118 2.125 . 0 0 "[ . 1 .]" 1
458 1 25 LEU MD1 1 55 PHE HB2 3.244 . 4.560 2.382 2.039 2.611 . 0 0 "[ . 1 .]" 1
459 1 25 LEU MD1 1 55 PHE HB3 3.779 . 5.564 3.913 3.529 4.133 . 0 0 "[ . 1 .]" 1
460 1 25 LEU MD1 1 59 TYR H 4.882 . 7.861 3.644 3.448 3.956 . 0 0 "[ . 1 .]" 1
461 1 25 LEU MD1 1 59 TYR HB2 3.039 . 4.086 1.915 1.824 2.188 0.060 13 0 "[ . 1 .]" 1
462 1 25 LEU MD1 1 59 TYR HB3 3.029 . 4.176 3.029 2.778 3.236 . 0 0 "[ . 1 .]" 1
463 1 25 LEU MD1 1 59 TYR HE2 2.999 . 4.123 3.842 3.764 3.909 . 0 0 "[ . 1 .]" 1
464 1 25 LEU MD2 1 25 LEU HG 2.325 . 3.001 2.128 2.126 2.129 . 0 0 "[ . 1 .]" 1
465 1 25 LEU MD2 1 26 ARG H 3.051 . 4.215 3.616 3.481 3.748 . 0 0 "[ . 1 .]" 1
466 1 25 LEU MD2 1 55 PHE HB3 3.652 . 5.319 2.927 2.719 3.294 . 0 0 "[ . 1 .]" 1
467 1 25 LEU HG 1 26 ARG H 3.776 . 5.558 5.059 4.933 5.128 . 0 0 "[ . 1 .]" 1
468 1 26 ARG H 1 26 ARG HA 2.827 . 3.826 2.931 2.922 2.940 . 0 0 "[ . 1 .]" 1
469 1 26 ARG H 1 26 ARG HB2 2.985 . 4.099 3.103 2.708 3.793 . 0 0 "[ . 1 .]" 1
470 1 26 ARG H 1 26 ARG HB3 2.919 . 3.984 3.247 2.496 3.863 . 0 0 "[ . 1 .]" 1
471 1 26 ARG H 1 27 ASP H 3.454 . 4.945 4.324 4.288 4.370 . 0 0 "[ . 1 .]" 1
472 1 26 ARG H 1 29 ASP H 3.585 . 5.191 3.796 3.634 3.987 . 0 0 "[ . 1 .]" 1
473 1 26 ARG HA 1 26 ARG HB2 2.888 . 3.931 2.688 2.276 3.034 . 0 0 "[ . 1 .]" 1
474 1 26 ARG HA 1 26 ARG HB3 2.824 . 3.821 2.702 2.382 3.030 . 0 0 "[ . 1 .]" 1
475 1 26 ARG HA 1 26 ARG HG2 2.888 . 3.930 2.993 2.537 3.790 . 0 0 "[ . 1 .]" 1
476 1 26 ARG HA 1 26 ARG HG3 2.898 . 3.948 2.988 2.330 3.664 . 0 0 "[ . 1 .]" 1
477 1 26 ARG HA 1 27 ASP H 1.916 . 2.375 2.176 2.142 2.201 . 0 0 "[ . 1 .]" 1
478 1 26 ARG HB2 1 26 ARG HD2 2.230 . 2.852 2.475 2.230 2.888 0.036 10 0 "[ . 1 .]" 1
479 1 26 ARG HB2 1 26 ARG HD3 2.407 . 3.131 3.072 2.957 3.154 0.023 13 0 "[ . 1 .]" 1
480 1 26 ARG HB2 1 27 ASP H 2.790 . 3.763 3.821 2.882 4.198 0.435 13 0 "[ . 1 .]" 1
481 1 26 ARG HB3 1 26 ARG HD2 3.522 . 5.073 3.021 2.900 3.150 . 0 0 "[ . 1 .]" 1
482 1 26 ARG HB3 1 26 ARG HD3 1.842 . 2.266 2.520 2.193 2.839 0.573 9 2 "[ . -+1 .]" 1
483 1 26 ARG HB3 1 27 ASP H 2.970 . 4.073 3.551 2.893 4.270 0.197 3 0 "[ . 1 .]" 1
484 1 26 ARG HD2 1 26 ARG HG3 2.613 . 3.466 2.460 2.332 2.579 . 0 0 "[ . 1 .]" 1
485 1 26 ARG HD3 1 26 ARG HG2 2.496 . 3.274 2.428 2.324 2.569 . 0 0 "[ . 1 .]" 1
486 1 26 ARG HD3 1 27 ASP H 4.102 . 6.206 5.274 4.839 5.910 . 0 0 "[ . 1 .]" 1
487 1 27 ASP H 1 27 ASP HA 2.735 . 3.670 2.764 2.736 2.802 . 0 0 "[ . 1 .]" 1
488 1 27 ASP H 1 27 ASP HB2 2.779 . 3.745 2.539 2.271 2.729 . 0 0 "[ . 1 .]" 1
489 1 27 ASP H 1 27 ASP HB3 2.683 . 3.583 2.517 2.362 2.790 . 0 0 "[ . 1 .]" 1
490 1 27 ASP H 1 28 GLY H 3.254 . 4.578 4.361 4.312 4.454 . 0 0 "[ . 1 .]" 1
491 1 27 ASP HA 1 27 ASP HB2 2.730 . 3.662 2.428 2.357 2.560 . 0 0 "[ . 1 .]" 1
492 1 27 ASP HA 1 27 ASP HB3 2.744 . 3.685 3.018 3.008 3.031 . 0 0 "[ . 1 .]" 1
493 1 27 ASP HA 1 28 GLY H 2.123 . 2.686 2.145 2.119 2.197 . 0 0 "[ . 1 .]" 1
494 1 27 ASP HB3 1 28 GLY H 3.328 . 4.713 4.424 4.302 4.488 . 0 0 "[ . 1 .]" 1
495 1 28 GLY H 1 28 GLY HA2 2.545 . 3.355 2.365 2.345 2.378 . 0 0 "[ . 1 .]" 1
496 1 28 GLY HA2 1 29 ASP H 2.899 . 3.950 3.348 3.321 3.406 . 0 0 "[ . 1 .]" 1
497 1 29 ASP H 1 29 ASP HA 2.626 . 3.488 2.888 2.865 2.912 . 0 0 "[ . 1 .]" 1
498 1 29 ASP H 1 29 ASP HB2 2.622 . 3.482 2.552 2.349 2.686 . 0 0 "[ . 1 .]" 1
499 1 29 ASP H 1 29 ASP HB3 2.829 . 3.829 2.664 2.534 2.900 . 0 0 "[ . 1 .]" 1
500 1 29 ASP HA 1 30 ILE H 2.353 . 3.045 2.278 2.185 2.327 . 0 0 "[ . 1 .]" 1
501 1 29 ASP HA 1 30 ILE HB 3.215 . 4.507 4.469 4.367 4.525 0.018 15 0 "[ . 1 .]" 1
502 1 29 ASP HA 1 30 ILE MD 4.087 . 6.175 2.790 2.642 3.301 . 0 0 "[ . 1 .]" 1
503 1 29 ASP HB2 1 30 ILE H 4.590 . 7.224 4.082 3.961 4.366 . 0 0 "[ . 1 .]" 1
504 1 29 ASP HB3 1 30 ILE H 3.451 . 4.940 3.744 3.407 3.972 . 0 0 "[ . 1 .]" 1
505 1 30 ILE H 1 30 ILE HB 2.573 . 3.400 2.424 2.291 2.494 . 0 0 "[ . 1 .]" 1
506 1 30 ILE H 1 30 ILE MD 2.654 . 3.534 2.330 2.249 2.420 . 0 0 "[ . 1 .]" 1
507 1 30 ILE H 1 30 ILE HG12 3.076 . 4.259 4.319 4.293 4.350 0.091 13 0 "[ . 1 .]" 1
508 1 30 ILE H 1 30 ILE HG13 3.011 . 4.144 3.790 3.681 3.862 . 0 0 "[ . 1 .]" 1
509 1 30 ILE H 1 30 ILE MG 3.976 . 5.952 3.726 3.637 3.780 . 0 0 "[ . 1 .]" 1
510 1 30 ILE H 1 31 VAL H 3.694 . 5.399 4.470 4.436 4.506 . 0 0 "[ . 1 .]" 1
511 1 30 ILE H 1 31 VAL MG2 4.246 . 6.499 4.307 4.170 4.456 . 0 0 "[ . 1 .]" 1
512 1 30 ILE H 1 47 ARG H 2.928 . 4.000 3.763 3.597 3.901 . 0 0 "[ . 1 .]" 1
513 1 30 ILE H 1 47 ARG HA 3.849 . 5.701 5.564 5.238 5.746 0.045 11 0 "[ . 1 .]" 1
514 1 30 ILE HA 1 30 ILE MD 2.890 . 3.934 3.004 2.919 3.134 . 0 0 "[ . 1 .]" 1
515 1 30 ILE HA 1 30 ILE HG12 2.745 . 3.687 3.524 3.465 3.551 . 0 0 "[ . 1 .]" 1
516 1 30 ILE HA 1 30 ILE HG13 2.774 . 3.736 2.234 2.178 2.259 . 0 0 "[ . 1 .]" 1
517 1 30 ILE HA 1 30 ILE MG 2.590 . 3.429 2.559 2.518 2.665 . 0 0 "[ . 1 .]" 1
518 1 30 ILE HA 1 31 VAL H 2.394 . 3.110 2.158 2.133 2.195 . 0 0 "[ . 1 .]" 1
519 1 30 ILE HA 1 31 VAL HB 3.353 . 4.758 4.456 4.379 4.530 . 0 0 "[ . 1 .]" 1
520 1 30 ILE HB 1 30 ILE MG 2.305 . 2.969 2.122 2.107 2.133 . 0 0 "[ . 1 .]" 1
521 1 30 ILE HB 1 31 VAL H 2.990 . 4.107 4.151 4.115 4.219 0.112 3 0 "[ . 1 .]" 1
522 1 30 ILE HB 1 47 ARG HD2 3.268 . 4.603 1.944 1.876 2.160 0.057 4 0 "[ . 1 .]" 1
523 1 30 ILE HB 1 47 ARG HD3 3.553 . 5.131 2.451 2.212 2.733 . 0 0 "[ . 1 .]" 1
524 1 30 ILE MD 1 30 ILE HG12 2.306 . 2.971 2.113 2.110 2.117 . 0 0 "[ . 1 .]" 1
525 1 30 ILE MD 1 30 ILE HG13 2.009 . 2.513 2.116 2.110 2.120 . 0 0 "[ . 1 .]" 1
526 1 30 ILE MD 1 31 VAL H 3.677 . 5.367 4.740 4.666 4.816 . 0 0 "[ . 1 .]" 1
527 1 30 ILE MD 1 47 ARG HB3 3.562 . 5.148 3.780 3.542 4.006 . 0 0 "[ . 1 .]" 1
528 1 30 ILE MD 1 47 ARG HD2 3.054 . 4.220 3.044 2.858 3.280 . 0 0 "[ . 1 .]" 1
529 1 30 ILE MD 1 47 ARG HD3 2.950 . 4.038 2.671 2.424 2.867 . 0 0 "[ . 1 .]" 1
530 1 30 ILE HG13 1 30 ILE MG 2.809 . 3.796 2.579 2.524 2.652 . 0 0 "[ . 1 .]" 1
531 1 30 ILE HG13 1 31 VAL H 2.842 . 3.852 3.922 3.740 4.003 0.151 15 0 "[ . 1 .]" 1
532 1 30 ILE MG 1 31 VAL H 2.357 . 3.051 2.450 2.361 2.528 . 0 0 "[ . 1 .]" 1
533 1 30 ILE MG 1 31 VAL HB 3.559 . 5.142 4.555 4.474 4.614 . 0 0 "[ . 1 .]" 1
534 1 30 ILE MG 1 32 ASP H 3.698 . 5.408 3.661 3.516 3.800 . 0 0 "[ . 1 .]" 1
535 1 30 ILE MG 1 47 ARG H 3.560 . 5.144 3.899 3.610 4.278 . 0 0 "[ . 1 .]" 1
536 1 30 ILE MG 1 47 ARG HA 3.939 . 5.878 4.515 4.020 4.836 . 0 0 "[ . 1 .]" 1
537 1 30 ILE MG 1 47 ARG HB3 2.770 . 3.729 3.518 3.266 4.048 0.319 5 0 "[ . 1 .]" 1
538 1 30 ILE MG 1 47 ARG HD2 3.070 . 4.248 2.346 1.819 2.969 0.073 3 0 "[ . 1 .]" 1
539 1 30 ILE MG 1 47 ARG HD3 3.321 . 4.700 3.636 3.187 3.997 . 0 0 "[ . 1 .]" 1
540 1 31 VAL H 1 31 VAL HB 2.906 . 3.961 2.681 2.651 2.709 . 0 0 "[ . 1 .]" 1
541 1 31 VAL H 1 31 VAL MG2 3.079 . 4.264 3.071 2.969 3.146 . 0 0 "[ . 1 .]" 1
542 1 31 VAL H 1 32 ASP H 3.386 . 4.819 4.232 4.159 4.285 . 0 0 "[ . 1 .]" 1
543 1 31 VAL HA 1 31 VAL HB 2.431 . 3.170 3.018 3.010 3.025 . 0 0 "[ . 1 .]" 1
544 1 31 VAL HA 1 31 VAL MG1 2.402 . 3.123 2.502 2.472 2.533 . 0 0 "[ . 1 .]" 1
545 1 31 VAL HA 1 31 VAL MG2 2.214 . 2.827 2.305 2.260 2.363 . 0 0 "[ . 1 .]" 1
546 1 31 VAL HA 1 32 ASP H 2.409 . 3.134 2.116 2.062 2.140 . 0 0 "[ . 1 .]" 1
547 1 31 VAL HA 1 47 ARG H 2.913 . 3.974 3.004 2.858 3.242 . 0 0 "[ . 1 .]" 1
548 1 31 VAL HA 1 47 ARG HA 3.568 . 5.159 4.831 4.586 5.019 . 0 0 "[ . 1 .]" 1
549 1 31 VAL HB 1 32 ASP H 3.273 . 4.612 4.298 4.240 4.346 . 0 0 "[ . 1 .]" 1
550 1 31 VAL HB 1 46 SER HA 3.325 . 4.707 4.709 4.575 4.775 0.068 2 0 "[ . 1 .]" 1
551 1 31 VAL MG1 1 32 ASP H 2.893 . 3.939 2.729 2.600 2.840 . 0 0 "[ . 1 .]" 1
552 1 31 VAL MG1 1 44 GLY QA 2.974 . 4.080 2.356 2.163 2.848 . 0 0 "[ . 1 .]" 1
553 1 31 VAL MG1 1 45 THR H 1.905 . 2.358 2.282 2.180 2.345 . 0 0 "[ . 1 .]" 1
554 1 31 VAL MG1 1 46 SER HA 3.659 . 5.333 3.413 3.265 3.477 . 0 0 "[ . 1 .]" 1
555 1 31 VAL MG2 1 32 ASP H 3.249 . 4.568 3.851 3.696 3.970 . 0 0 "[ . 1 .]" 1
556 1 31 VAL MG2 1 45 THR H 3.170 . 4.426 4.217 4.183 4.250 . 0 0 "[ . 1 .]" 1
557 1 31 VAL MG2 1 45 THR HA 3.188 . 4.459 4.420 4.347 4.493 0.034 12 0 "[ . 1 .]" 1
558 1 31 VAL MG2 1 46 SER HA 2.153 . 2.733 1.906 1.758 2.030 . 0 0 "[ . 1 .]" 1
559 1 31 VAL MG2 1 47 ARG H 2.951 . 4.039 3.207 3.127 3.327 . 0 0 "[ . 1 .]" 1
560 1 32 ASP H 1 32 ASP QB 2.566 . 3.389 2.435 2.232 2.596 . 0 0 "[ . 1 .]" 1
561 1 32 ASP H 1 33 VAL H 3.435 . 4.909 4.406 4.374 4.436 . 0 0 "[ . 1 .]" 1
562 1 32 ASP H 1 44 GLY QA 3.981 . 5.962 4.206 4.054 4.465 . 0 0 "[ . 1 .]" 1
563 1 32 ASP H 1 45 THR H 3.141 . 4.375 2.835 2.715 3.057 . 0 0 "[ . 1 .]" 1
564 1 32 ASP H 1 45 THR HB 3.189 . 4.460 3.680 3.366 3.831 . 0 0 "[ . 1 .]" 1
565 1 32 ASP H 1 45 THR MG 4.493 . 7.016 4.444 4.258 4.587 . 0 0 "[ . 1 .]" 1
566 1 32 ASP H 1 47 ARG H 3.443 . 4.925 4.392 4.121 4.768 . 0 0 "[ . 1 .]" 1
567 1 32 ASP HA 1 32 ASP QB 2.445 . 3.193 2.346 2.299 2.422 . 0 0 "[ . 1 .]" 1
568 1 32 ASP HA 1 33 VAL H 1.750 . 2.133 2.155 2.137 2.177 0.044 11 0 "[ . 1 .]" 1
569 1 32 ASP HA 1 33 VAL HB 3.381 . 4.810 4.756 4.652 4.825 0.015 5 0 "[ . 1 .]" 1
570 1 32 ASP HA 1 33 VAL MG1 3.330 . 4.716 3.679 3.565 3.769 . 0 0 "[ . 1 .]" 1
571 1 32 ASP QB 1 33 VAL H 3.024 . 4.167 3.574 3.332 3.872 . 0 0 "[ . 1 .]" 1
572 1 32 ASP QB 1 44 GLY QA 3.231 . 4.536 4.108 3.929 4.207 . 0 0 "[ . 1 .]" 1
573 1 32 ASP QB 1 45 THR HB 2.851 . 3.867 3.119 2.718 3.408 . 0 0 "[ . 1 .]" 1
574 1 32 ASP QB 1 45 THR MG 3.531 . 5.089 4.349 3.961 4.561 . 0 0 "[ . 1 .]" 1
575 1 33 VAL H 1 33 VAL HA 2.513 . 3.303 2.911 2.900 2.921 . 0 0 "[ . 1 .]" 1
576 1 33 VAL H 1 33 VAL HB 2.886 . 3.927 2.948 2.909 3.063 . 0 0 "[ . 1 .]" 1
577 1 33 VAL H 1 33 VAL MG1 2.858 . 3.879 2.031 1.918 2.124 . 0 0 "[ . 1 .]" 1
578 1 33 VAL H 1 33 VAL MG2 3.232 . 4.538 3.765 3.733 3.800 . 0 0 "[ . 1 .]" 1
579 1 33 VAL H 1 45 THR H 3.454 . 4.945 4.894 4.760 5.022 0.077 14 0 "[ . 1 .]" 1
580 1 33 VAL HA 1 33 VAL HB 2.123 . 2.686 2.375 2.349 2.408 . 0 0 "[ . 1 .]" 1
581 1 33 VAL HA 1 33 VAL MG1 2.909 . 3.967 3.210 3.199 3.220 . 0 0 "[ . 1 .]" 1
582 1 33 VAL HA 1 33 VAL MG2 2.002 . 2.503 2.431 2.402 2.466 . 0 0 "[ . 1 .]" 1
583 1 33 VAL HA 1 34 MET H 2.507 . 3.293 2.114 2.089 2.137 . 0 0 "[ . 1 .]" 1
584 1 33 VAL HA 1 34 MET HB3 3.147 . 4.385 4.373 4.235 4.486 0.101 7 0 "[ . 1 .]" 1
585 1 33 VAL HA 1 35 GLU H 2.975 . 4.081 3.801 3.721 3.937 . 0 0 "[ . 1 .]" 1
586 1 33 VAL HA 1 44 GLY QA 1.762 . 2.150 2.054 1.996 2.130 . 0 0 "[ . 1 .]" 1
587 1 33 VAL HB 1 33 VAL MG2 2.175 . 2.766 2.122 2.118 2.128 . 0 0 "[ . 1 .]" 1
588 1 33 VAL MG1 1 34 MET H 3.751 . 5.509 4.145 4.070 4.213 . 0 0 "[ . 1 .]" 1
589 1 33 VAL MG1 1 42 PHE HB2 4.875 . 7.845 4.313 4.003 4.633 . 0 0 "[ . 1 .]" 1
590 1 33 VAL MG1 1 42 PHE HB3 3.876 . 5.754 3.781 3.467 3.980 . 0 0 "[ . 1 .]" 1
591 1 33 VAL MG1 1 44 GLY QA 4.495 . 7.020 4.426 4.290 4.603 . 0 0 "[ . 1 .]" 1
592 1 33 VAL MG2 1 34 MET H 2.347 . 3.036 2.687 2.555 2.771 . 0 0 "[ . 1 .]" 1
593 1 33 VAL MG2 1 35 GLU H 2.679 . 3.576 2.634 2.476 2.834 . 0 0 "[ . 1 .]" 1
594 1 33 VAL MG2 1 36 LYS H 3.751 . 5.509 4.187 3.847 4.455 . 0 0 "[ . 1 .]" 1
595 1 33 VAL MG2 1 36 LYS HG2 3.110 . 4.319 2.463 2.029 2.949 . 0 0 "[ . 1 .]" 1
596 1 33 VAL MG2 1 42 PHE HA 3.167 . 4.421 3.596 3.476 3.724 . 0 0 "[ . 1 .]" 1
597 1 33 VAL MG2 1 42 PHE HB2 3.031 . 4.179 2.839 2.678 2.958 . 0 0 "[ . 1 .]" 1
598 1 33 VAL MG2 1 42 PHE HB3 1.935 . 2.403 1.730 1.560 1.832 . 0 0 "[ . 1 .]" 1
599 1 33 VAL MG2 1 43 VAL H 2.021 . 2.532 2.460 2.297 2.533 0.001 4 0 "[ . 1 .]" 1
600 1 33 VAL MG2 1 44 GLY H 3.378 . 4.805 4.555 4.474 4.634 . 0 0 "[ . 1 .]" 1
601 1 33 VAL MG2 1 44 GLY QA 3.206 . 4.491 3.467 3.356 3.575 . 0 0 "[ . 1 .]" 1
602 1 34 MET H 1 34 MET HA 2.400 . 3.120 2.924 2.904 2.937 . 0 0 "[ . 1 .]" 1
603 1 34 MET H 1 34 MET HB3 2.452 . 3.204 2.750 2.632 2.936 . 0 0 "[ . 1 .]" 1
604 1 34 MET H 1 34 MET HG3 2.869 . 3.898 2.603 2.058 3.211 . 0 0 "[ . 1 .]" 1
605 1 34 MET H 1 35 GLU H 2.667 . 3.556 2.147 2.029 2.265 . 0 0 "[ . 1 .]" 1
606 1 34 MET H 1 44 GLY QA 2.698 . 3.608 2.430 2.247 2.579 . 0 0 "[ . 1 .]" 1
607 1 34 MET HA 1 34 MET HB3 1.975 . 2.463 2.505 2.403 2.573 0.110 15 0 "[ . 1 .]" 1
608 1 34 MET HA 1 34 MET HG3 2.822 . 3.817 3.656 3.565 3.738 . 0 0 "[ . 1 .]" 1
609 1 34 MET HA 1 35 GLU H 2.971 . 4.074 3.520 3.481 3.557 . 0 0 "[ . 1 .]" 1
610 1 34 MET HB3 1 34 MET ME 3.512 . 5.053 3.861 3.273 4.292 . 0 0 "[ . 1 .]" 1
611 1 34 MET HB3 1 34 MET HG3 2.054 . 2.582 2.768 2.498 2.987 0.405 2 0 "[ . 1 .]" 1
612 1 34 MET HB3 1 35 GLU H 3.079 . 4.264 3.911 3.773 4.110 . 0 0 "[ . 1 .]" 1
613 1 34 MET HB3 1 43 VAL MG1 3.065 . 4.239 3.982 3.876 4.115 . 0 0 "[ . 1 .]" 1
614 1 34 MET HB3 1 44 GLY QA 3.732 . 5.473 3.670 2.927 3.971 . 0 0 "[ . 1 .]" 1
615 1 34 MET ME 1 35 GLU H 5.049 . 8.236 3.674 3.405 3.855 . 0 0 "[ . 1 .]" 1
616 1 34 MET ME 1 35 GLU HB2 1.728 . 2.101 2.128 2.058 2.208 0.107 13 0 "[ . 1 .]" 1
617 1 34 MET HG3 1 35 GLU H 3.565 . 5.154 2.202 1.912 2.744 0.064 13 0 "[ . 1 .]" 1
618 1 34 MET HG3 1 35 GLU HB2 3.215 . 4.507 3.137 2.257 4.557 0.050 7 0 "[ . 1 .]" 1
619 1 34 MET HG3 1 43 VAL MG1 2.820 . 3.814 2.091 1.814 2.690 0.012 7 0 "[ . 1 .]" 1
620 1 34 MET HG3 1 43 VAL MG2 3.712 . 5.434 4.574 4.388 4.871 . 0 0 "[ . 1 .]" 1
621 1 34 MET HG3 1 44 GLY QA 2.948 . 4.035 3.773 2.557 4.870 0.835 2 2 "[ + . 1- .]" 1
622 1 34 MET HG3 1 45 THR H 5.938 . 10.345 6.343 5.251 7.416 . 0 0 "[ . 1 .]" 1
623 1 35 GLU H 1 35 GLU HA 2.344 . 3.031 2.940 2.930 2.948 . 0 0 "[ . 1 .]" 1
624 1 35 GLU H 1 35 GLU HB2 2.520 . 3.314 3.114 2.948 3.559 0.245 13 0 "[ . 1 .]" 1
625 1 35 GLU H 1 36 LYS H 3.761 . 5.529 4.359 4.277 4.407 . 0 0 "[ . 1 .]" 1
626 1 35 GLU H 1 43 VAL H 2.504 . 3.288 3.213 3.026 3.338 0.050 5 0 "[ . 1 .]" 1
627 1 35 GLU H 1 43 VAL HB 2.671 . 3.563 2.913 2.799 3.091 . 0 0 "[ . 1 .]" 1
628 1 35 GLU H 1 43 VAL MG1 3.265 . 4.598 2.787 2.597 3.027 . 0 0 "[ . 1 .]" 1
629 1 35 GLU H 1 43 VAL MG2 3.720 . 5.450 4.448 4.383 4.559 . 0 0 "[ . 1 .]" 1
630 1 35 GLU HA 1 35 GLU HB2 2.516 . 3.307 2.469 2.264 2.515 . 0 0 "[ . 1 .]" 1
631 1 35 GLU HA 1 35 GLU QG 2.232 . 2.855 2.572 2.323 2.900 0.045 12 0 "[ . 1 .]" 1
632 1 35 GLU HA 1 36 LYS H 2.287 . 2.941 2.168 2.080 2.295 . 0 0 "[ . 1 .]" 1
633 1 35 GLU HA 1 36 LYS HG3 2.988 . 4.104 3.603 3.287 3.872 . 0 0 "[ . 1 .]" 1
634 1 35 GLU HB2 1 35 GLU QG 2.373 . 3.077 2.343 2.291 2.464 . 0 0 "[ . 1 .]" 1
635 1 35 GLU HB2 1 36 LYS H 2.883 . 3.922 4.028 3.496 4.161 0.239 10 0 "[ . 1 .]" 1
636 1 35 GLU QG 1 36 LYS H 2.820 . 3.814 2.394 2.081 2.601 . 0 0 "[ . 1 .]" 1
637 1 35 GLU QG 1 37 CYS H 3.262 . 4.592 4.215 3.756 4.503 . 0 0 "[ . 1 .]" 1
638 1 36 LYS H 1 36 LYS HB3 2.815 . 3.805 3.725 3.629 3.840 0.035 15 0 "[ . 1 .]" 1
639 1 36 LYS H 1 36 LYS QD 3.893 . 5.787 4.432 4.126 4.729 . 0 0 "[ . 1 .]" 1
640 1 36 LYS H 1 36 LYS HG2 3.205 . 4.489 4.010 3.692 4.259 . 0 0 "[ . 1 .]" 1
641 1 36 LYS H 1 36 LYS HG3 3.090 . 4.283 2.927 2.753 3.162 . 0 0 "[ . 1 .]" 1
642 1 36 LYS HA 1 36 LYS HB3 2.316 . 2.987 2.488 2.427 2.554 . 0 0 "[ . 1 .]" 1
643 1 36 LYS HA 1 36 LYS QD 3.114 . 4.326 4.018 3.800 4.084 . 0 0 "[ . 1 .]" 1
644 1 36 LYS HA 1 36 LYS HG2 3.144 . 4.380 2.561 2.484 2.662 . 0 0 "[ . 1 .]" 1
645 1 36 LYS HA 1 36 LYS HG3 2.342 . 3.027 3.012 2.612 3.389 0.362 15 0 "[ . 1 .]" 1
646 1 36 LYS HA 1 37 CYS H 2.602 . 3.449 2.138 2.107 2.168 . 0 0 "[ . 1 .]" 1
647 1 36 LYS HA 1 42 PHE HA 2.726 . 3.655 2.838 2.359 3.167 . 0 0 "[ . 1 .]" 1
648 1 36 LYS HA 1 43 VAL H 3.655 . 5.325 3.338 2.979 3.609 . 0 0 "[ . 1 .]" 1
649 1 36 LYS HB3 1 36 LYS HE3 3.353 . 4.758 4.082 3.023 4.791 0.033 4 0 "[ . 1 .]" 1
650 1 36 LYS HB3 1 36 LYS HG2 2.786 . 3.756 2.427 2.318 2.582 . 0 0 "[ . 1 .]" 1
651 1 36 LYS HB3 1 36 LYS HG3 2.713 . 3.633 3.008 2.986 3.014 . 0 0 "[ . 1 .]" 1
652 1 36 LYS HB3 1 37 CYS H 3.085 . 4.274 3.571 3.178 3.750 . 0 0 "[ . 1 .]" 1
653 1 36 LYS HB3 1 42 PHE HD1 3.446 . 4.931 3.124 2.525 3.492 . 0 0 "[ . 1 .]" 1
654 1 36 LYS HB3 1 42 PHE HE1 3.060 . 4.231 2.831 2.620 3.212 . 0 0 "[ . 1 .]" 1
655 1 36 LYS QD 1 36 LYS HE3 2.634 . 3.501 2.293 2.169 2.387 . 0 0 "[ . 1 .]" 1
656 1 36 LYS QD 1 36 LYS HG3 2.505 . 3.290 2.370 2.295 2.472 . 0 0 "[ . 1 .]" 1
657 1 36 LYS QD 1 42 PHE HD1 3.615 . 5.248 4.637 3.604 4.936 . 0 0 "[ . 1 .]" 1
658 1 36 LYS QD 1 42 PHE HE1 3.243 . 4.558 4.074 3.221 4.430 . 0 0 "[ . 1 .]" 1
659 1 36 LYS HE3 1 36 LYS HG2 2.949 . 4.036 3.540 2.464 4.240 0.204 9 0 "[ . 1 .]" 1
660 1 36 LYS HG2 1 37 CYS H 4.203 . 6.411 4.489 4.233 4.620 . 0 0 "[ . 1 .]" 1
661 1 36 LYS HG3 1 37 CYS H 3.592 . 5.205 5.077 4.722 5.370 0.165 15 0 "[ . 1 .]" 1
662 1 37 CYS H 1 37 CYS HA 2.580 . 3.412 2.880 2.832 2.940 . 0 0 "[ . 1 .]" 1
663 1 37 CYS H 1 37 CYS QB 3.173 . 4.015 2.523 2.268 2.588 . 0 0 "[ . 1 .]" 1
664 1 37 CYS H 1 40 GLY H 3.978 . 5.956 4.399 4.188 4.553 . 0 0 "[ . 1 .]" 1
665 1 37 CYS H 1 41 TRP HB2 4.707 . 7.476 5.486 4.823 5.993 . 0 0 "[ . 1 .]" 1
666 1 37 CYS H 1 42 PHE HA 3.077 . 4.260 2.452 2.155 2.754 . 0 0 "[ . 1 .]" 1
667 1 37 CYS H 1 42 PHE HD1 2.893 . 3.939 1.968 1.815 2.460 0.032 8 0 "[ . 1 .]" 1
668 1 37 CYS HA 1 37 CYS QB 2.258 . 2.895 2.317 2.297 2.353 . 0 0 "[ . 1 .]" 1
669 1 37 CYS HA 1 38 ASP H 2.322 . 2.996 2.267 2.163 2.458 . 0 0 "[ . 1 .]" 1
670 1 37 CYS QB 1 38 ASP H 2.780 . 3.746 2.765 2.220 3.370 . 0 0 "[ . 1 .]" 1
671 1 37 CYS QB 1 39 ASP H 3.192 . 4.466 2.590 2.317 3.142 . 0 0 "[ . 1 .]" 1
672 1 37 CYS QB 1 40 GLY H . . 2.881 2.899 2.828 2.946 0.065 3 0 "[ . 1 .]" 1
673 1 37 CYS QB 1 41 TRP H 2.771 . 3.731 3.150 2.838 3.449 . 0 0 "[ . 1 .]" 1
674 1 38 ASP H 1 38 ASP HB3 2.827 . 3.826 2.731 2.391 3.598 . 0 0 "[ . 1 .]" 1
675 1 38 ASP H 1 39 ASP H 3.391 . 4.828 2.532 2.388 2.731 . 0 0 "[ . 1 .]" 1
676 1 38 ASP HA 1 38 ASP HB3 2.222 . 2.839 2.673 2.440 3.029 0.190 6 0 "[ . 1 .]" 1
677 1 38 ASP HA 1 39 ASP H 2.641 . 3.513 3.394 3.303 3.499 . 0 0 "[ . 1 .]" 1
678 1 38 ASP HA 1 40 GLY H 3.123 . 4.342 3.799 3.571 4.155 . 0 0 "[ . 1 .]" 1
679 1 38 ASP HB3 1 39 ASP H 3.176 . 4.437 3.760 2.719 4.352 . 0 0 "[ . 1 .]" 1
680 1 39 ASP H 1 39 ASP HA 2.813 . 3.802 2.885 2.861 2.915 . 0 0 "[ . 1 .]" 1
681 1 39 ASP H 1 39 ASP HB2 2.073 . 2.610 2.844 2.517 3.585 0.975 9 4 "[ - .* +* .]" 1
682 1 39 ASP H 1 39 ASP HB3 3.071 . 4.250 2.639 2.519 2.748 . 0 0 "[ . 1 .]" 1
683 1 39 ASP HA 1 39 ASP HB2 1.998 . 2.497 2.515 2.482 2.540 0.043 11 0 "[ . 1 .]" 1
684 1 39 ASP HA 1 39 ASP HB3 2.474 . 3.239 2.849 2.375 3.028 . 0 0 "[ . 1 .]" 1
685 1 39 ASP HA 1 40 GLY H 3.630 . 5.277 3.419 3.382 3.443 . 0 0 "[ . 1 .]" 1
686 1 39 ASP HB3 1 40 GLY H 3.371 . 4.792 3.589 3.243 4.361 . 0 0 "[ . 1 .]" 1
687 1 40 GLY H 1 40 GLY HA2 2.545 . 3.355 2.447 2.386 2.501 . 0 0 "[ . 1 .]" 1
688 1 40 GLY H 1 42 PHE HD1 3.182 . 4.448 4.538 4.471 4.577 0.129 13 0 "[ . 1 .]" 1
689 1 40 GLY HA2 1 41 TRP H 2.622 . 3.482 3.468 3.383 3.519 0.037 5 0 "[ . 1 .]" 1
690 1 41 TRP H 1 41 TRP HB2 2.830 . 3.831 2.786 2.690 2.967 . 0 0 "[ . 1 .]" 1
691 1 41 TRP H 1 41 TRP HB3 2.721 . 3.646 3.650 3.610 3.674 0.028 10 0 "[ . 1 .]" 1
692 1 41 TRP H 1 41 TRP HD1 2.849 . 3.864 3.532 3.118 3.893 0.029 1 0 "[ . 1 .]" 1
693 1 41 TRP H 1 42 PHE H 3.756 . 5.519 4.533 4.359 4.628 . 0 0 "[ . 1 .]" 1
694 1 41 TRP HA 1 41 TRP HB3 2.683 . 3.583 2.338 2.274 2.386 . 0 0 "[ . 1 .]" 1
695 1 41 TRP HA 1 42 PHE H 2.332 . 3.012 2.260 2.114 2.397 . 0 0 "[ . 1 .]" 1
696 1 41 TRP HA 1 56 PRO HA 2.320 . 2.993 2.448 2.196 2.766 . 0 0 "[ . 1 .]" 1
697 1 41 TRP HA 1 56 PRO HB3 3.491 . 5.014 4.424 4.188 4.710 . 0 0 "[ . 1 .]" 1
698 1 41 TRP HA 1 57 GLY H 2.566 . 3.389 1.897 1.697 2.261 0.046 14 0 "[ . 1 .]" 1
699 1 41 TRP HB2 1 41 TRP HE3 3.093 . 4.289 4.283 4.257 4.311 0.022 14 0 "[ . 1 .]" 1
700 1 41 TRP HB2 1 42 PHE H 2.894 . 3.941 3.779 3.559 4.038 0.097 5 0 "[ . 1 .]" 1
701 1 41 TRP HB3 1 41 TRP HD1 3.343 . 4.740 3.489 3.322 3.659 . 0 0 "[ . 1 .]" 1
702 1 41 TRP HB3 1 41 TRP HE3 3.271 . 4.609 3.205 2.918 3.468 . 0 0 "[ . 1 .]" 1
703 1 41 TRP HB3 1 42 PHE H 2.693 . 3.599 3.133 2.761 3.636 0.037 4 0 "[ . 1 .]" 1
704 1 41 TRP HE3 1 58 ASN QB 2.488 . 3.262 3.289 3.225 3.417 0.155 14 0 "[ . 1 .]" 1
705 1 42 PHE H 1 42 PHE HA 2.435 . 3.176 2.932 2.907 2.939 . 0 0 "[ . 1 .]" 1
706 1 42 PHE H 1 42 PHE HB2 2.246 . 2.877 2.581 2.513 2.634 . 0 0 "[ . 1 .]" 1
707 1 42 PHE H 1 42 PHE HB3 2.698 . 3.608 3.713 3.635 3.755 0.147 13 0 "[ . 1 .]" 1
708 1 42 PHE H 1 42 PHE HD1 3.034 . 4.185 4.038 3.885 4.182 . 0 0 "[ . 1 .]" 1
709 1 42 PHE H 1 55 PHE H 3.231 . 4.536 3.416 3.116 3.828 . 0 0 "[ . 1 .]" 1
710 1 42 PHE H 1 56 PRO HA 2.713 . 3.633 3.414 3.245 3.647 0.014 5 0 "[ . 1 .]" 1
711 1 42 PHE H 1 56 PRO HB3 6.826 . 12.650 5.684 5.521 5.905 . 0 0 "[ . 1 .]" 1
712 1 42 PHE H 1 57 GLY H 3.703 . 5.417 2.689 2.570 2.884 . 0 0 "[ . 1 .]" 1
713 1 42 PHE HA 1 42 PHE HB2 2.630 . 3.495 3.020 3.016 3.024 . 0 0 "[ . 1 .]" 1
714 1 42 PHE HA 1 42 PHE HB3 2.241 . 2.869 2.449 2.425 2.465 . 0 0 "[ . 1 .]" 1
715 1 42 PHE HA 1 42 PHE HD1 2.600 . 3.445 2.118 2.009 2.273 . 0 0 "[ . 1 .]" 1
716 1 42 PHE HA 1 43 VAL H 2.657 . 3.539 2.418 2.394 2.462 . 0 0 "[ . 1 .]" 1
717 1 42 PHE HA 1 43 VAL MG2 3.065 . 4.239 3.956 3.857 4.036 . 0 0 "[ . 1 .]" 1
718 1 42 PHE HB2 1 42 PHE HD1 2.820 . 3.814 3.726 3.699 3.745 . 0 0 "[ . 1 .]" 1
719 1 42 PHE HB2 1 55 PHE H 3.501 . 5.033 4.306 4.119 4.440 . 0 0 "[ . 1 .]" 1
720 1 42 PHE HB3 1 43 VAL H 2.250 . 2.883 2.398 2.345 2.445 . 0 0 "[ . 1 .]" 1
721 1 42 PHE HD1 1 43 VAL H 2.893 . 3.939 3.921 3.798 3.978 0.039 13 0 "[ . 1 .]" 1
722 1 43 VAL H 1 43 VAL HB 2.652 . 3.531 2.407 2.385 2.440 . 0 0 "[ . 1 .]" 1
723 1 43 VAL H 1 43 VAL MG2 3.059 . 4.228 3.140 3.102 3.176 . 0 0 "[ . 1 .]" 1
724 1 43 VAL H 1 44 GLY H 3.341 . 4.737 4.425 4.403 4.448 . 0 0 "[ . 1 .]" 1
725 1 43 VAL HA 1 43 VAL HB 2.824 . 3.821 2.989 2.983 2.997 . 0 0 "[ . 1 .]" 1
726 1 43 VAL HA 1 43 VAL MG1 2.741 . 3.680 2.676 2.627 2.703 . 0 0 "[ . 1 .]" 1
727 1 43 VAL HA 1 43 VAL MG2 2.521 . 3.315 2.147 2.133 2.161 . 0 0 "[ . 1 .]" 1
728 1 43 VAL HA 1 44 GLY H 2.400 . 3.120 2.166 2.145 2.190 . 0 0 "[ . 1 .]" 1
729 1 43 VAL HA 1 54 THR HA 2.072 . 2.609 1.981 1.864 2.075 . 0 0 "[ . 1 .]" 1
730 1 43 VAL HA 1 54 THR HB 2.745 . 3.687 3.720 3.591 3.776 0.089 6 0 "[ . 1 .]" 1
731 1 43 VAL HB 1 43 VAL MG1 2.048 . 2.572 2.138 2.135 2.143 . 0 0 "[ . 1 .]" 1
732 1 43 VAL HB 1 43 VAL MG2 2.319 . 2.991 2.125 2.123 2.128 . 0 0 "[ . 1 .]" 1
733 1 43 VAL HB 1 44 GLY H 3.437 . 4.914 4.336 4.306 4.373 . 0 0 "[ . 1 .]" 1
734 1 43 VAL MG1 1 44 GLY H 2.610 . 3.462 2.656 2.559 2.740 . 0 0 "[ . 1 .]" 1
735 1 43 VAL MG1 1 52 PHE HD1 3.007 . 4.138 3.484 3.410 3.551 . 0 0 "[ . 1 .]" 1
736 1 43 VAL MG1 1 54 THR H 15.265 . 44.393 4.840 4.653 4.929 . 0 0 "[ . 1 .]" 1
737 1 43 VAL MG1 1 54 THR HA 3.692 . 5.396 3.675 3.540 3.826 . 0 0 "[ . 1 .]" 1
738 1 43 VAL MG1 1 54 THR HB 3.589 . 5.199 4.398 4.208 4.495 . 0 0 "[ . 1 .]" 1
739 1 43 VAL MG2 1 44 GLY H 2.675 . 3.570 3.482 3.461 3.503 . 0 0 "[ . 1 .]" 1
740 1 43 VAL MG2 1 52 PHE HD1 3.982 . 5.964 5.474 5.447 5.494 . 0 0 "[ . 1 .]" 1
741 1 43 VAL MG2 1 53 GLY HA3 3.485 . 5.004 4.745 4.684 4.798 . 0 0 "[ . 1 .]" 1
742 1 43 VAL MG2 1 54 THR HA 3.262 . 4.592 2.337 2.211 2.422 . 0 0 "[ . 1 .]" 1
743 1 43 VAL MG2 1 54 THR HB 2.735 . 3.670 2.317 2.140 2.414 . 0 0 "[ . 1 .]" 1
744 1 43 VAL MG2 1 55 PHE H 4.337 . 6.688 3.868 3.762 3.982 . 0 0 "[ . 1 .]" 1
745 1 43 VAL MG2 1 55 PHE HD1 3.861 . 5.724 4.496 4.419 4.564 . 0 0 "[ . 1 .]" 1
746 1 44 GLY H 1 45 THR H 3.585 . 5.191 4.348 4.252 4.390 . 0 0 "[ . 1 .]" 1
747 1 44 GLY H 1 45 THR HG1 4.072 . 6.145 4.819 4.683 5.111 . 0 0 "[ . 1 .]" 1
748 1 44 GLY H 1 52 PHE HD1 3.659 . 5.333 4.127 3.833 4.380 . 0 0 "[ . 1 .]" 1
749 1 44 GLY H 1 53 GLY H 2.898 . 3.947 3.160 3.085 3.254 . 0 0 "[ . 1 .]" 1
750 1 44 GLY H 1 54 THR HA 2.788 . 3.759 3.162 2.996 3.365 . 0 0 "[ . 1 .]" 1
751 1 44 GLY QA 1 45 THR H 2.513 . 3.303 2.229 2.182 2.255 . 0 0 "[ . 1 .]" 1
752 1 44 GLY QA 1 53 GLY H 3.689 . 5.390 4.299 4.120 4.410 . 0 0 "[ . 1 .]" 1
753 1 45 THR H 1 45 THR HA 2.591 . 3.430 2.934 2.929 2.940 . 0 0 "[ . 1 .]" 1
754 1 45 THR H 1 45 THR HB 2.058 . 2.587 2.672 2.644 2.699 0.112 14 0 "[ . 1 .]" 1
755 1 45 THR H 1 52 PHE HD1 3.256 . 4.581 4.465 4.142 4.610 0.029 6 0 "[ . 1 .]" 1
756 1 45 THR HA 1 45 THR HB 2.704 . 3.618 3.014 3.011 3.019 . 0 0 "[ . 1 .]" 1
757 1 45 THR HA 1 45 THR HG1 1.845 . 2.271 2.242 2.221 2.304 0.033 15 0 "[ . 1 .]" 1
758 1 45 THR HA 1 45 THR MG 2.743 . 3.684 2.411 2.394 2.439 . 0 0 "[ . 1 .]" 1
759 1 45 THR HA 1 46 SER H 2.471 . 3.234 2.198 2.173 2.240 . 0 0 "[ . 1 .]" 1
760 1 45 THR HA 1 52 PHE HA 1.949 . 2.424 2.403 2.294 2.487 0.063 6 0 "[ . 1 .]" 1
761 1 45 THR HA 1 52 PHE HB2 3.084 . 4.273 3.992 3.892 4.141 . 0 0 "[ . 1 .]" 1
762 1 45 THR HA 1 52 PHE HB3 3.909 . 5.820 5.188 5.077 5.276 . 0 0 "[ . 1 .]" 1
763 1 45 THR HA 1 53 GLY H 3.190 . 4.462 3.594 3.478 3.714 . 0 0 "[ . 1 .]" 1
764 1 45 THR HB 1 45 THR MG 2.294 . 2.952 2.129 2.124 2.134 . 0 0 "[ . 1 .]" 1
765 1 45 THR HB 1 46 SER H 2.883 . 3.922 4.011 3.986 4.042 0.120 3 0 "[ . 1 .]" 1
766 1 45 THR HB 1 52 PHE HA 3.753 . 5.513 4.679 4.546 4.768 . 0 0 "[ . 1 .]" 1
767 1 45 THR HG1 1 45 THR MG 2.302 . 2.964 2.672 2.458 2.734 . 0 0 "[ . 1 .]" 1
768 1 45 THR HG1 1 46 SER H 3.012 . 4.146 4.189 4.165 4.206 0.060 3 0 "[ . 1 .]" 1
769 1 45 THR MG 1 46 SER H 2.770 . 3.729 2.385 2.324 2.434 . 0 0 "[ . 1 .]" 1
770 1 45 THR MG 1 50 LYS H 3.509 . 3.777 3.741 3.549 3.853 0.076 2 0 "[ . 1 .]" 1
771 1 45 THR MG 1 50 LYS HA 2.343 . 3.029 2.181 1.928 2.393 . 0 0 "[ . 1 .]" 1
772 1 45 THR MG 1 50 LYS HB2 3.501 . 5.033 4.273 3.942 4.522 . 0 0 "[ . 1 .]" 1
773 1 45 THR MG 1 50 LYS HD2 3.470 . 4.976 3.525 3.386 3.659 . 0 0 "[ . 1 .]" 1
774 1 45 THR MG 1 51 GLN H 2.491 . 3.266 3.110 3.062 3.180 . 0 0 "[ . 1 .]" 1
775 1 45 THR MG 1 52 PHE H 3.305 . 4.670 4.062 3.917 4.214 . 0 0 "[ . 1 .]" 1
776 1 45 THR MG 1 52 PHE HA 3.192 . 4.466 3.210 3.091 3.272 . 0 0 "[ . 1 .]" 1
777 1 45 THR MG 1 52 PHE HB2 2.726 . 3.655 3.237 3.133 3.331 . 0 0 "[ . 1 .]" 1
778 1 45 THR MG 1 52 PHE HB3 3.408 . 4.860 4.461 4.310 4.537 . 0 0 "[ . 1 .]" 1
779 1 45 THR MG 1 52 PHE HD1 3.249 . 4.569 4.116 4.029 4.174 . 0 0 "[ . 1 .]" 1
780 1 46 SER H 1 46 SER HB2 2.717 . 3.640 2.658 2.605 2.712 . 0 0 "[ . 1 .]" 1
781 1 46 SER H 1 46 SER HB3 3.013 . 4.148 2.439 2.373 2.488 . 0 0 "[ . 1 .]" 1
782 1 46 SER H 1 50 LYS H 2.935 . 4.012 4.094 4.061 4.119 0.107 11 0 "[ . 1 .]" 1
783 1 46 SER H 1 51 GLN H 2.194 . 2.796 2.773 2.695 2.839 0.043 4 0 "[ . 1 .]" 1
784 1 46 SER HA 1 46 SER HB2 2.191 . 2.791 2.447 2.419 2.480 . 0 0 "[ . 1 .]" 1
785 1 46 SER HA 1 46 SER HB3 2.606 . 3.455 3.030 3.024 3.037 . 0 0 "[ . 1 .]" 1
786 1 46 SER HA 1 47 ARG H 2.479 . 3.247 2.180 2.136 2.200 . 0 0 "[ . 1 .]" 1
787 1 46 SER HA 1 48 ARG H 3.297 . 4.656 3.734 3.509 3.894 . 0 0 "[ . 1 .]" 1
788 1 46 SER HB2 1 47 ARG H 3.585 . 5.191 4.199 4.131 4.303 . 0 0 "[ . 1 .]" 1
789 1 46 SER HB2 1 49 THR H 3.010 . 4.142 3.995 3.860 4.178 0.036 4 0 "[ . 1 .]" 1
790 1 46 SER HB2 1 49 THR HB 3.927 . 5.854 5.923 5.866 6.037 0.183 4 0 "[ . 1 .]" 1
791 1 46 SER HB2 1 49 THR HG1 3.728 . 5.465 5.351 5.071 5.499 0.034 5 0 "[ . 1 .]" 1
792 1 46 SER HB2 1 49 THR MG 2.523 . 3.319 2.890 2.841 3.001 . 0 0 "[ . 1 .]" 1
793 1 46 SER HB2 1 51 GLN H 2.593 . 3.434 3.471 3.433 3.498 0.064 6 0 "[ . 1 .]" 1
794 1 46 SER HB3 1 47 ARG H 3.217 . 4.511 4.191 4.097 4.281 . 0 0 "[ . 1 .]" 1
795 1 46 SER HB3 1 47 ARG HA 3.659 . 5.333 5.221 5.127 5.281 . 0 0 "[ . 1 .]" 1
796 1 46 SER HB3 1 48 ARG H 3.313 . 4.685 3.940 3.788 4.096 . 0 0 "[ . 1 .]" 1
797 1 46 SER HB3 1 49 THR H 3.432 . 4.904 2.821 2.607 3.005 . 0 0 "[ . 1 .]" 1
798 1 46 SER HB3 1 49 THR HG1 3.059 . 4.229 4.229 4.125 4.288 0.059 10 0 "[ . 1 .]" 1
799 1 46 SER HB3 1 49 THR MG 1.915 . 2.374 2.085 1.960 2.212 . 0 0 "[ . 1 .]" 1
800 1 46 SER HB3 1 50 LYS H 3.273 . 4.612 2.592 2.552 2.658 . 0 0 "[ . 1 .]" 1
801 1 46 SER HB3 1 51 GLN H 2.751 . 3.697 2.031 1.947 2.099 . 0 0 "[ . 1 .]" 1
802 1 46 SER HB3 1 52 PHE HA 4.678 . 7.413 5.939 5.803 6.075 . 0 0 "[ . 1 .]" 1
803 1 46 SER HB3 1 53 GLY H 5.582 . 9.477 7.321 7.124 7.533 . 0 0 "[ . 1 .]" 1
804 1 47 ARG H 1 47 ARG HB3 2.693 . 3.600 2.553 2.370 2.764 . 0 0 "[ . 1 .]" 1
805 1 47 ARG H 1 47 ARG HG3 3.215 . 4.507 4.437 4.303 4.526 0.019 2 0 "[ . 1 .]" 1
806 1 47 ARG H 1 48 ARG H 2.777 . 3.741 2.510 2.430 2.573 . 0 0 "[ . 1 .]" 1
807 1 47 ARG H 1 49 THR H 3.465 . 4.966 4.416 4.352 4.494 . 0 0 "[ . 1 .]" 1
808 1 47 ARG H 1 50 LYS H 4.233 . 6.473 4.520 4.474 4.592 . 0 0 "[ . 1 .]" 1
809 1 47 ARG HA 1 47 ARG HB3 2.361 . 3.058 3.020 3.005 3.032 . 0 0 "[ . 1 .]" 1
810 1 47 ARG HA 1 47 ARG HD2 3.240 . 4.552 4.450 4.242 4.571 0.019 7 0 "[ . 1 .]" 1
811 1 47 ARG HA 1 47 ARG HD3 3.257 . 4.583 4.633 4.614 4.660 0.077 14 0 "[ . 1 .]" 1
812 1 47 ARG HA 1 47 ARG HG3 2.282 . 2.933 2.651 2.390 2.815 . 0 0 "[ . 1 .]" 1
813 1 47 ARG HA 1 50 LYS HD2 2.467 . 3.228 2.671 2.390 2.936 . 0 0 "[ . 1 .]" 1
814 1 47 ARG HA 1 50 LYS QE 2.813 . 3.802 2.787 2.480 3.738 . 0 0 "[ . 1 .]" 1
815 1 47 ARG HB3 1 47 ARG HD2 2.402 . 3.123 2.848 2.706 3.036 . 0 0 "[ . 1 .]" 1
816 1 47 ARG HB3 1 47 ARG HD3 2.255 . 2.891 2.417 2.276 2.583 . 0 0 "[ . 1 .]" 1
817 1 47 ARG HB3 1 48 ARG H 2.882 . 3.920 2.910 2.740 2.996 . 0 0 "[ . 1 .]" 1
818 1 47 ARG HD2 1 47 ARG HG3 1.997 . 2.495 2.472 2.408 2.519 0.024 14 0 "[ . 1 .]" 1
819 1 47 ARG HD3 1 47 ARG HG3 2.557 . 3.374 3.006 3.001 3.013 . 0 0 "[ . 1 .]" 1
820 1 48 ARG H 1 48 ARG HA 2.716 . 3.638 2.875 2.822 2.905 . 0 0 "[ . 1 .]" 1
821 1 48 ARG H 1 48 ARG QB 2.689 . 3.593 2.276 2.095 2.988 . 0 0 "[ . 1 .]" 1
822 1 48 ARG H 1 48 ARG HD2 3.680 . 5.373 4.901 4.188 5.139 . 0 0 "[ . 1 .]" 1
823 1 48 ARG H 1 48 ARG QG 3.212 . 4.501 3.805 1.737 3.994 0.214 4 0 "[ . 1 .]" 1
824 1 48 ARG H 1 49 THR H 2.784 . 3.753 2.544 2.448 2.706 . 0 0 "[ . 1 .]" 1
825 1 48 ARG H 1 49 THR MG 3.303 . 4.667 3.635 3.473 3.842 . 0 0 "[ . 1 .]" 1
826 1 48 ARG H 1 50 LYS H 3.371 . 4.792 3.512 3.369 3.712 . 0 0 "[ . 1 .]" 1
827 1 48 ARG HA 1 48 ARG QB 2.288 . 2.943 2.334 2.137 2.447 . 0 0 "[ . 1 .]" 1
828 1 48 ARG HA 1 48 ARG HD3 3.720 . 5.450 4.689 4.582 4.961 . 0 0 "[ . 1 .]" 1
829 1 48 ARG HA 1 48 ARG QG 2.380 . 3.088 2.559 2.351 3.190 0.102 4 0 "[ . 1 .]" 1
830 1 48 ARG HA 1 49 THR H 2.892 . 3.937 3.558 3.530 3.571 . 0 0 "[ . 1 .]" 1
831 1 48 ARG QB 1 48 ARG HD2 1.864 . 2.298 2.449 2.282 3.228 0.930 4 1 "[ +. 1 .]" 1
832 1 48 ARG QB 1 48 ARG HD3 2.906 . 3.731 2.531 2.184 3.266 . 0 0 "[ . 1 .]" 1
833 1 48 ARG QB 1 49 THR H 2.203 . 2.810 2.454 2.330 2.890 0.080 4 0 "[ . 1 .]" 1
834 1 48 ARG QB 1 49 THR MG 3.064 . 4.110 2.560 2.400 2.785 . 0 0 "[ . 1 .]" 1
835 1 48 ARG HD2 1 48 ARG QG 2.108 . 2.663 2.309 2.172 2.371 . 0 0 "[ . 1 .]" 1
836 1 48 ARG QG 1 49 THR HA 3.166 . 4.419 3.688 3.335 4.317 . 0 0 "[ . 1 .]" 1
837 1 49 THR H 1 49 THR HB 3.227 . 4.529 3.294 3.148 3.440 . 0 0 "[ . 1 .]" 1
838 1 49 THR H 1 49 THR HG1 3.159 . 4.407 4.179 3.997 4.327 . 0 0 "[ . 1 .]" 1
839 1 49 THR H 1 49 THR MG 2.626 . 3.488 1.915 1.822 2.072 . 0 0 "[ . 1 .]" 1
840 1 49 THR H 1 50 LYS H 2.584 . 3.418 2.073 1.933 2.224 . 0 0 "[ . 1 .]" 1
841 1 49 THR H 1 50 LYS HG2 3.348 . 4.749 4.542 4.415 4.768 0.019 4 0 "[ . 1 .]" 1
842 1 49 THR HA 1 49 THR HG1 2.806 . 3.790 3.464 2.964 3.864 0.074 4 0 "[ . 1 .]" 1
843 1 49 THR HA 1 49 THR MG 2.813 . 3.802 3.141 3.009 3.182 . 0 0 "[ . 1 .]" 1
844 1 49 THR HA 1 50 LYS H 2.787 . 3.758 3.326 3.289 3.370 . 0 0 "[ . 1 .]" 1
845 1 49 THR HB 1 49 THR HG1 2.342 . 3.027 2.679 2.317 2.848 . 0 0 "[ . 1 .]" 1
846 1 49 THR HB 1 49 THR MG 2.400 . 3.120 2.120 2.112 2.124 . 0 0 "[ . 1 .]" 1
847 1 49 THR HB 1 50 LYS H 6.280 . 11.210 4.456 4.368 4.487 . 0 0 "[ . 1 .]" 1
848 1 49 THR HB 1 51 GLN HG2 3.512 . 5.053 4.074 3.928 4.200 . 0 0 "[ . 1 .]" 1
849 1 49 THR HG1 1 49 THR MG 2.130 . 2.697 2.262 2.060 2.569 . 0 0 "[ . 1 .]" 1
850 1 49 THR HG1 1 50 LYS H 3.787 . 5.579 4.300 3.799 4.731 . 0 0 "[ . 1 .]" 1
851 1 49 THR HG1 1 51 GLN H 2.935 . 4.012 3.553 3.197 3.930 . 0 0 "[ . 1 .]" 1
852 1 49 THR HG1 1 51 GLN HB2 3.451 . 4.940 4.550 4.133 4.737 . 0 0 "[ . 1 .]" 1
853 1 49 THR HG1 1 51 GLN HB3 2.554 . 3.369 3.228 2.720 3.426 0.057 5 0 "[ . 1 .]" 1
854 1 49 THR HG1 1 51 GLN HG2 2.675 . 3.570 2.259 2.059 2.398 . 0 0 "[ . 1 .]" 1
855 1 49 THR HG1 1 51 GLN HG3 2.874 . 3.906 3.903 3.760 3.982 0.076 11 0 "[ . 1 .]" 1
856 1 49 THR MG 1 51 GLN HB2 3.525 . 5.078 4.370 4.266 4.618 . 0 0 "[ . 1 .]" 1
857 1 49 THR MG 1 51 GLN HG2 2.652 . 3.531 1.823 1.707 2.109 0.066 8 0 "[ . 1 .]" 1
858 1 49 THR MG 1 51 GLN HG3 3.708 . 5.427 2.717 2.420 3.247 . 0 0 "[ . 1 .]" 1
859 1 50 LYS H 1 50 LYS HA 2.302 . 2.964 2.250 2.242 2.257 . 0 0 "[ . 1 .]" 1
860 1 50 LYS H 1 50 LYS HB2 3.200 . 4.480 3.619 3.593 3.648 . 0 0 "[ . 1 .]" 1
861 1 50 LYS H 1 50 LYS HB3 3.165 . 4.417 4.040 4.010 4.060 . 0 0 "[ . 1 .]" 1
862 1 50 LYS H 1 50 LYS HD2 2.867 . 3.894 2.455 2.312 2.582 . 0 0 "[ . 1 .]" 1
863 1 50 LYS H 1 50 LYS HG2 5.025 . 8.182 3.165 3.023 3.252 . 0 0 "[ . 1 .]" 1
864 1 50 LYS H 1 50 LYS HG3 3.556 . 5.137 4.455 4.379 4.504 . 0 0 "[ . 1 .]" 1
865 1 50 LYS H 1 51 GLN H 2.717 . 3.640 2.711 2.650 2.777 . 0 0 "[ . 1 .]" 1
866 1 50 LYS H 1 51 GLN HB2 4.690 . 7.439 6.192 6.135 6.258 . 0 0 "[ . 1 .]" 1
867 1 50 LYS H 1 51 GLN HG3 4.084 . 6.169 4.617 4.333 4.844 . 0 0 "[ . 1 .]" 1
868 1 50 LYS HA 1 50 LYS HB2 2.380 . 3.088 3.016 3.011 3.021 . 0 0 "[ . 1 .]" 1
869 1 50 LYS HA 1 50 LYS HB3 2.298 . 2.958 2.432 2.420 2.456 . 0 0 "[ . 1 .]" 1
870 1 50 LYS HA 1 50 LYS HD2 2.174 . 2.765 2.283 2.208 2.327 . 0 0 "[ . 1 .]" 1
871 1 50 LYS HA 1 50 LYS QE 1.552 . 1.853 1.890 1.855 1.941 0.088 13 0 "[ . 1 .]" 1
872 1 50 LYS HA 1 50 LYS HG2 2.600 . 3.445 3.349 3.297 3.411 . 0 0 "[ . 1 .]" 1
873 1 50 LYS HA 1 50 LYS HG3 2.893 . 3.939 3.704 3.668 3.727 . 0 0 "[ . 1 .]" 1
874 1 50 LYS HA 1 51 GLN H 3.061 . 4.232 2.822 2.734 2.877 . 0 0 "[ . 1 .]" 1
875 1 50 LYS HB2 1 50 LYS HD2 2.899 . 3.949 3.714 3.685 3.746 . 0 0 "[ . 1 .]" 1
876 1 50 LYS HB2 1 50 LYS HG2 2.385 . 3.096 2.347 2.320 2.375 . 0 0 "[ . 1 .]" 1
877 1 50 LYS HB2 1 50 LYS HG3 2.329 . 3.007 2.520 2.492 2.544 . 0 0 "[ . 1 .]" 1
878 1 50 LYS HB3 1 50 LYS HD2 2.973 . 4.078 3.394 3.349 3.423 . 0 0 "[ . 1 .]" 1
879 1 50 LYS HB3 1 50 LYS HG2 2.382 . 3.091 2.998 2.986 3.005 . 0 0 "[ . 1 .]" 1
880 1 50 LYS HB3 1 50 LYS HG3 2.500 . 3.282 2.342 2.322 2.364 . 0 0 "[ . 1 .]" 1
881 1 50 LYS HD2 1 50 LYS QE 1.994 . 2.491 2.168 2.156 2.275 . 0 0 "[ . 1 .]" 1
882 1 50 LYS HD2 1 50 LYS HG2 2.185 . 2.782 2.390 2.375 2.402 . 0 0 "[ . 1 .]" 1
883 1 50 LYS HD2 1 50 LYS HG3 2.481 . 3.251 3.015 3.009 3.018 . 0 0 "[ . 1 .]" 1
884 1 50 LYS HD2 1 51 GLN H 3.585 . 5.191 4.610 4.519 4.697 . 0 0 "[ . 1 .]" 1
885 1 50 LYS QE 1 50 LYS HG2 2.734 . 3.668 3.466 3.293 3.487 . 0 0 "[ . 1 .]" 1
886 1 50 LYS QE 1 50 LYS HG3 2.472 . 3.236 3.010 2.459 3.089 . 0 0 "[ . 1 .]" 1
887 1 50 LYS HG2 1 51 GLN H 5.527 . 9.346 5.132 5.069 5.218 . 0 0 "[ . 1 .]" 1
888 1 50 LYS HG3 1 51 GLN H 4.142 . 6.287 5.981 5.950 6.011 . 0 0 "[ . 1 .]" 1
889 1 51 GLN H 1 51 GLN HA 2.539 . 3.345 2.914 2.887 2.930 . 0 0 "[ . 1 .]" 1
890 1 51 GLN H 1 51 GLN HB2 2.817 . 3.809 3.539 3.504 3.579 . 0 0 "[ . 1 .]" 1
891 1 51 GLN H 1 51 GLN HB3 2.827 . 3.826 3.242 3.052 3.346 . 0 0 "[ . 1 .]" 1
892 1 51 GLN H 1 51 GLN HG2 2.881 . 3.918 2.002 1.813 2.267 0.031 4 0 "[ . 1 .]" 1
893 1 51 GLN H 1 51 GLN HG3 3.287 . 4.637 2.424 2.136 2.669 . 0 0 "[ . 1 .]" 1
894 1 51 GLN H 1 52 PHE H 3.219 . 4.514 4.543 4.520 4.565 0.051 4 0 "[ . 1 .]" 1
895 1 51 GLN HA 1 51 GLN HB2 2.265 . 2.906 2.652 2.610 2.690 . 0 0 "[ . 1 .]" 1
896 1 51 GLN HA 1 51 GLN HB3 2.073 . 2.610 2.286 2.251 2.319 . 0 0 "[ . 1 .]" 1
897 1 51 GLN HA 1 51 GLN HG2 3.127 . 4.349 3.576 3.530 3.634 . 0 0 "[ . 1 .]" 1
898 1 51 GLN HA 1 51 GLN HG3 3.025 . 4.169 3.804 3.714 3.872 . 0 0 "[ . 1 .]" 1
899 1 51 GLN HA 1 52 PHE H 2.355 . 3.048 2.297 2.240 2.367 . 0 0 "[ . 1 .]" 1
900 1 51 GLN HA 1 52 PHE HB2 3.334 . 4.723 4.359 4.269 4.460 . 0 0 "[ . 1 .]" 1
901 1 51 GLN HA 1 52 PHE HB3 3.117 . 4.331 4.278 4.223 4.336 0.005 9 0 "[ . 1 .]" 1
902 1 51 GLN HB2 1 51 GLN HG2 2.394 . 3.111 2.999 2.991 3.007 . 0 0 "[ . 1 .]" 1
903 1 51 GLN HB2 1 51 GLN HG3 2.179 . 2.772 2.438 2.359 2.519 . 0 0 "[ . 1 .]" 1
904 1 51 GLN HB2 1 52 PHE H 3.118 . 4.333 2.732 2.557 2.882 . 0 0 "[ . 1 .]" 1
905 1 51 GLN HB3 1 52 PHE H 2.732 . 3.665 3.553 3.364 3.701 0.036 4 0 "[ . 1 .]" 1
906 1 51 GLN HG2 1 52 PHE H 3.855 . 5.713 5.071 4.933 5.188 . 0 0 "[ . 1 .]" 1
907 1 51 GLN HG3 1 52 PHE H 3.309 . 4.678 4.524 4.349 4.666 . 0 0 "[ . 1 .]" 1
908 1 52 PHE H 1 52 PHE HB2 2.790 . 3.763 3.160 3.101 3.279 . 0 0 "[ . 1 .]" 1
909 1 52 PHE H 1 52 PHE HB3 2.639 . 3.510 2.487 2.444 2.565 . 0 0 "[ . 1 .]" 1
910 1 52 PHE H 1 52 PHE HD1 3.574 . 5.171 5.057 4.946 5.127 . 0 0 "[ . 1 .]" 1
911 1 52 PHE HA 1 52 PHE HB2 2.696 . 3.604 2.381 2.371 2.394 . 0 0 "[ . 1 .]" 1
912 1 52 PHE HA 1 52 PHE HB3 2.887 . 3.929 3.016 3.013 3.019 . 0 0 "[ . 1 .]" 1
913 1 52 PHE HA 1 52 PHE HD1 3.107 . 4.314 2.572 2.362 2.711 . 0 0 "[ . 1 .]" 1
914 1 52 PHE HA 1 53 GLY H 2.322 . 2.996 2.165 2.109 2.208 . 0 0 "[ . 1 .]" 1
915 1 52 PHE HB2 1 52 PHE HD1 2.722 . 3.648 2.686 2.599 2.803 . 0 0 "[ . 1 .]" 1
916 1 52 PHE HB2 1 53 GLY H 2.967 . 4.067 4.033 3.927 4.132 0.065 9 0 "[ . 1 .]" 1
917 1 52 PHE HB3 1 52 PHE HD1 2.770 . 3.729 3.741 3.731 3.747 0.018 1 0 "[ . 1 .]" 1
918 1 52 PHE HB3 1 53 GLY H 3.078 . 4.262 4.201 4.078 4.277 0.015 6 0 "[ . 1 .]" 1
919 1 52 PHE HD1 1 53 GLY H 3.219 . 4.514 2.868 2.722 3.024 . 0 0 "[ . 1 .]" 1
920 1 53 GLY H 1 53 GLY HA3 2.573 . 3.400 2.835 2.798 2.876 . 0 0 "[ . 1 .]" 1
921 1 53 GLY HA3 1 54 THR HG1 4.246 . 6.499 6.371 6.221 6.622 0.123 14 0 "[ . 1 .]" 1
922 1 53 GLY HA3 1 54 THR MG 3.086 . 4.277 3.774 3.668 3.918 . 0 0 "[ . 1 .]" 1
923 1 54 THR H 1 54 THR HG1 3.078 . 4.262 4.219 4.116 4.385 0.123 14 0 "[ . 1 .]" 1
924 1 54 THR H 1 54 THR MG 2.545 . 3.355 2.009 1.920 2.087 . 0 0 "[ . 1 .]" 1
925 1 54 THR H 1 55 PHE HB3 3.886 . 5.774 5.194 5.120 5.352 . 0 0 "[ . 1 .]" 1
926 1 54 THR HA 1 54 THR HB 2.276 . 2.924 2.364 2.341 2.399 . 0 0 "[ . 1 .]" 1
927 1 54 THR HA 1 54 THR MG 2.801 . 3.782 3.191 3.183 3.203 . 0 0 "[ . 1 .]" 1
928 1 54 THR HA 1 55 PHE H 2.319 . 2.991 2.207 2.145 2.261 . 0 0 "[ . 1 .]" 1
929 1 54 THR HA 1 55 PHE HD1 3.158 . 4.405 3.159 3.045 3.226 . 0 0 "[ . 1 .]" 1
930 1 54 THR HB 1 54 THR MG 2.371 . 3.074 2.114 2.104 2.121 . 0 0 "[ . 1 .]" 1
931 1 54 THR HB 1 55 PHE H 3.269 . 4.605 3.930 3.817 4.041 . 0 0 "[ . 1 .]" 1
932 1 54 THR HB 1 55 PHE HA 3.792 . 5.590 5.642 5.600 5.691 0.101 5 0 "[ . 1 .]" 1
933 1 54 THR HG1 1 54 THR MG 2.423 . 3.157 2.318 2.008 2.841 . 0 0 "[ . 1 .]" 1
934 1 54 THR MG 1 55 PHE H 3.108 . 4.316 3.985 3.950 4.032 . 0 0 "[ . 1 .]" 1
935 1 55 PHE H 1 55 PHE HA 2.879 . 3.915 2.916 2.902 2.932 . 0 0 "[ . 1 .]" 1
936 1 55 PHE H 1 55 PHE HB2 3.731 . 5.471 3.910 3.822 3.964 . 0 0 "[ . 1 .]" 1
937 1 55 PHE H 1 55 PHE HD1 3.667 . 5.348 2.368 2.114 2.475 . 0 0 "[ . 1 .]" 1
938 1 55 PHE H 1 56 PRO HD2 4.075 . 6.151 5.107 5.045 5.154 . 0 0 "[ . 1 .]" 1
939 1 55 PHE HA 1 55 PHE HB2 2.835 . 3.840 2.408 2.394 2.425 . 0 0 "[ . 1 .]" 1
940 1 55 PHE HA 1 55 PHE HB3 2.001 . 2.502 2.504 2.492 2.518 0.016 12 0 "[ . 1 .]" 1
941 1 55 PHE HA 1 56 PRO HD2 2.270 . 2.914 2.576 2.510 2.657 . 0 0 "[ . 1 .]" 1
942 1 55 PHE HA 1 56 PRO HD3 2.679 . 3.576 1.849 1.820 1.881 . 0 0 "[ . 1 .]" 1
943 1 55 PHE HA 1 56 PRO HG2 3.175 . 4.435 4.376 4.345 4.421 . 0 0 "[ . 1 .]" 1
944 1 55 PHE HA 1 56 PRO HG3 3.296 . 4.654 4.044 4.005 4.068 . 0 0 "[ . 1 .]" 1
945 1 55 PHE HB2 1 55 PHE HD1 2.765 . 3.721 3.713 3.703 3.728 0.007 6 0 "[ . 1 .]" 1
946 1 55 PHE HB2 1 56 PRO HD2 2.790 . 3.763 2.804 2.740 2.864 . 0 0 "[ . 1 .]" 1
947 1 55 PHE HB2 1 56 PRO HD3 2.683 . 3.583 3.541 3.438 3.608 0.025 4 0 "[ . 1 .]" 1
948 1 55 PHE HB3 1 55 PHE HD1 2.232 . 2.855 2.582 2.551 2.629 . 0 0 "[ . 1 .]" 1
949 1 55 PHE HB3 1 56 PRO HD2 2.969 . 4.071 4.124 4.093 4.141 0.070 3 0 "[ . 1 .]" 1
950 1 55 PHE HD1 1 56 PRO HA 4.406 . 6.833 6.542 6.429 6.664 . 0 0 "[ . 1 .]" 1
951 1 55 PHE HD1 1 56 PRO HD3 3.882 . 5.766 5.820 5.791 5.844 0.078 2 0 "[ . 1 .]" 1
952 1 56 PRO HA 1 56 PRO HB2 2.474 . 3.239 2.955 2.935 2.967 . 0 0 "[ . 1 .]" 1
953 1 56 PRO HA 1 56 PRO HB3 2.310 . 2.977 2.281 2.269 2.292 . 0 0 "[ . 1 .]" 1
954 1 56 PRO HA 1 56 PRO HD2 3.593 . 5.206 3.928 3.918 3.933 . 0 0 "[ . 1 .]" 1
955 1 56 PRO HA 1 56 PRO HD3 2.876 . 3.910 3.764 3.729 3.825 . 0 0 "[ . 1 .]" 1
956 1 56 PRO HA 1 56 PRO HG2 2.888 . 3.930 3.973 3.954 4.002 0.072 11 0 "[ . 1 .]" 1
957 1 56 PRO HA 1 57 GLY H 2.203 . 2.810 2.182 2.168 2.203 . 0 0 "[ . 1 .]" 1
958 1 56 PRO HA 1 57 GLY HA3 3.181 . 4.446 4.428 4.401 4.464 0.018 9 0 "[ . 1 .]" 1
959 1 56 PRO HB2 1 56 PRO HD2 2.596 . 3.439 2.979 2.948 3.011 . 0 0 "[ . 1 .]" 1
960 1 56 PRO HB2 1 56 PRO HD3 3.415 . 4.873 3.896 3.880 3.913 . 0 0 "[ . 1 .]" 1
961 1 56 PRO HB2 1 56 PRO HG2 2.310 . 2.977 2.315 2.303 2.323 . 0 0 "[ . 1 .]" 1
962 1 56 PRO HB2 1 58 ASN H 2.737 . 3.673 2.949 2.743 3.222 . 0 0 "[ . 1 .]" 1
963 1 56 PRO HB2 1 59 TYR H 4.003 . 6.006 3.482 3.201 3.746 . 0 0 "[ . 1 .]" 1
964 1 56 PRO HB3 1 56 PRO HD3 3.039 . 4.194 4.042 4.030 4.055 . 0 0 "[ . 1 .]" 1
965 1 56 PRO HB3 1 56 PRO HG2 2.411 . 3.138 2.679 2.668 2.691 . 0 0 "[ . 1 .]" 1
966 1 56 PRO HB3 1 56 PRO HG3 2.472 . 3.236 2.311 2.301 2.318 . 0 0 "[ . 1 .]" 1
967 1 56 PRO HB3 1 57 GLY H 2.892 . 3.937 3.941 3.840 4.011 0.074 13 0 "[ . 1 .]" 1
968 1 56 PRO HD2 1 56 PRO HG2 2.479 . 3.247 2.319 2.310 2.327 . 0 0 "[ . 1 .]" 1
969 1 56 PRO HD2 1 56 PRO HG3 2.433 . 3.173 2.994 2.988 2.998 . 0 0 "[ . 1 .]" 1
970 1 56 PRO HD3 1 56 PRO HG2 2.919 . 3.984 2.693 2.684 2.700 . 0 0 "[ . 1 .]" 1
971 1 56 PRO HD3 1 56 PRO HG3 2.858 . 3.879 2.315 2.309 2.323 . 0 0 "[ . 1 .]" 1
972 1 57 GLY H 1 57 GLY HA3 2.282 . 2.933 2.309 2.287 2.334 . 0 0 "[ . 1 .]" 1
973 1 57 GLY H 1 58 ASN H 2.928 . 4.000 2.866 2.602 3.091 . 0 0 "[ . 1 .]" 1
974 1 57 GLY HA3 1 60 VAL MG2 2.729 . 3.660 3.042 2.787 3.268 . 0 0 "[ . 1 .]" 1
975 1 58 ASN H 1 58 ASN HA 2.635 . 3.503 2.891 2.809 2.930 . 0 0 "[ . 1 .]" 1
976 1 58 ASN H 1 58 ASN QB 2.457 . 3.212 2.278 2.151 2.347 . 0 0 "[ . 1 .]" 1
977 1 58 ASN H 1 59 TYR H 2.838 . 3.845 2.240 2.008 2.607 . 0 0 "[ . 1 .]" 1
978 1 58 ASN HA 1 58 ASN QB 2.025 . 2.538 2.386 2.154 2.453 . 0 0 "[ . 1 .]" 1
979 1 58 ASN HA 1 59 TYR H 6.960 . 13.016 3.391 3.306 3.468 . 0 0 "[ . 1 .]" 1
980 1 59 TYR H 1 59 TYR HA 2.338 . 3.021 2.948 2.934 2.956 . 0 0 "[ . 1 .]" 1
981 1 59 TYR H 1 59 TYR HB2 2.822 . 3.817 2.606 2.493 2.672 . 0 0 "[ . 1 .]" 1
982 1 59 TYR H 1 59 TYR HB3 2.681 . 3.580 3.732 3.675 3.773 0.193 4 0 "[ . 1 .]" 1
983 1 59 TYR H 1 59 TYR HD2 2.747 . 3.690 3.139 3.017 3.334 . 0 0 "[ . 1 .]" 1
984 1 59 TYR H 1 59 TYR HE2 3.526 . 5.080 4.995 4.844 5.107 0.027 8 0 "[ . 1 .]" 1
985 1 59 TYR H 1 60 VAL H 2.658 . 3.541 2.550 2.406 2.712 . 0 0 "[ . 1 .]" 1
986 1 59 TYR H 1 60 VAL MG1 3.849 . 5.701 3.479 3.330 3.670 . 0 0 "[ . 1 .]" 1
987 1 59 TYR H 1 60 VAL MG2 3.451 . 4.940 2.988 2.820 3.133 . 0 0 "[ . 1 .]" 1
988 1 59 TYR HA 1 59 TYR HB2 2.853 . 3.871 3.023 3.019 3.029 . 0 0 "[ . 1 .]" 1
989 1 59 TYR HA 1 59 TYR HB3 2.898 . 3.948 2.441 2.402 2.483 . 0 0 "[ . 1 .]" 1
990 1 59 TYR HA 1 59 TYR HD2 3.550 . 5.126 4.416 4.270 4.517 . 0 0 "[ . 1 .]" 1
991 1 59 TYR HA 1 60 VAL H 2.713 . 3.633 3.016 2.953 3.140 . 0 0 "[ . 1 .]" 1
992 1 59 TYR HB2 1 59 TYR HD2 2.728 . 3.658 2.294 2.254 2.327 . 0 0 "[ . 1 .]" 1
993 1 59 TYR HB2 1 59 TYR HE2 3.792 . 5.590 4.592 4.562 4.615 . 0 0 "[ . 1 .]" 1
994 1 59 TYR HB2 1 60 VAL H 3.874 . 5.750 3.966 3.825 4.053 . 0 0 "[ . 1 .]" 1
995 1 59 TYR HB2 1 60 VAL MG1 3.365 . 4.780 3.097 2.978 3.237 . 0 0 "[ . 1 .]" 1
996 1 59 TYR HB3 1 59 TYR HD2 2.452 . 3.203 3.503 3.408 3.569 0.366 11 0 "[ . 1 .]" 1
997 1 59 TYR HB3 1 59 TYR HE2 3.478 . 4.990 5.313 5.240 5.349 0.359 1 0 "[ . 1 .]" 1
998 1 59 TYR HB3 1 60 VAL H 3.042 . 4.199 4.450 4.367 4.487 0.288 7 0 "[ . 1 .]" 1
999 1 59 TYR HB3 1 60 VAL MG1 3.522 . 5.073 3.949 3.693 4.086 . 0 0 "[ . 1 .]" 1
1000 1 60 VAL H 1 60 VAL HB 3.232 . 4.538 3.891 3.866 3.913 . 0 0 "[ . 1 .]" 1
1001 1 60 VAL H 1 60 VAL MG1 3.144 . 4.380 3.186 3.145 3.222 . 0 0 "[ . 1 .]" 1
1002 1 60 VAL H 1 60 VAL MG2 2.460 . 3.216 2.243 2.180 2.297 . 0 0 "[ . 1 .]" 1
1003 1 60 VAL HA 1 60 VAL HB 2.315 . 2.985 2.503 2.493 2.516 . 0 0 "[ . 1 .]" 1
1004 1 60 VAL HA 1 60 VAL MG1 2.529 . 3.328 2.275 2.232 2.298 . 0 0 "[ . 1 .]" 1
1005 1 60 VAL HA 1 60 VAL MG2 2.773 . 3.734 3.200 3.195 3.206 . 0 0 "[ . 1 .]" 1
1006 1 60 VAL HA 1 61 LYS H 2.204 . 2.811 2.337 2.308 2.356 . 0 0 "[ . 1 .]" 1
1007 1 60 VAL HB 1 60 VAL MG1 2.028 . 2.542 2.131 2.128 2.135 . 0 0 "[ . 1 .]" 1
1008 1 60 VAL HB 1 60 VAL MG2 2.025 . 2.538 2.118 2.112 2.123 . 0 0 "[ . 1 .]" 1
1009 1 60 VAL HB 1 61 LYS H 2.775 . 3.738 2.500 2.455 2.561 . 0 0 "[ . 1 .]" 1
1010 1 60 VAL MG1 1 61 LYS H 2.977 . 4.085 3.612 3.555 3.692 . 0 0 "[ . 1 .]" 1
1011 1 60 VAL MG2 1 61 LYS H 2.819 . 3.812 3.572 3.558 3.597 . 0 0 "[ . 1 .]" 1
1012 1 61 LYS H 1 61 LYS HA 2.919 . 3.984 2.942 2.932 2.952 . 0 0 "[ . 1 .]" 1
1013 1 61 LYS H 1 61 LYS HB2 2.721 . 3.647 3.716 3.548 3.813 0.166 10 0 "[ . 1 .]" 1
1014 1 61 LYS H 1 61 LYS HG3 2.648 . 3.524 3.038 2.115 3.621 0.097 12 0 "[ . 1 .]" 1
1015 1 61 LYS HA 1 61 LYS HB2 1.879 . 2.320 2.528 2.417 2.719 0.399 1 0 "[ . 1 .]" 1
1016 1 61 LYS HA 1 61 LYS HB3 2.140 . 2.713 2.370 2.255 2.463 . 0 0 "[ . 1 .]" 1
1017 1 61 LYS HA 1 61 LYS HG3 2.908 . 3.965 3.849 3.679 3.979 0.014 12 0 "[ . 1 .]" 1
1018 1 61 LYS HA 1 62 PRO HD2 2.221 . 2.838 2.669 2.353 2.840 0.002 9 0 "[ . 1 .]" 1
1019 1 61 LYS HA 1 62 PRO HD3 1.681 . 2.034 1.838 1.772 2.061 0.027 6 0 "[ . 1 .]" 1
1020 1 61 LYS HB2 1 61 LYS HG3 2.623 . 3.483 2.378 2.230 2.549 . 0 0 "[ . 1 .]" 1
1021 1 61 LYS HB2 1 62 PRO HD3 3.016 . 4.153 3.547 3.236 3.921 . 0 0 "[ . 1 .]" 1
1022 1 61 LYS HB3 1 61 LYS HG3 2.557 . 3.374 2.984 2.914 3.015 . 0 0 "[ . 1 .]" 1
1023 1 61 LYS HB3 1 62 PRO HD3 3.002 . 4.128 3.922 3.538 4.202 0.074 6 0 "[ . 1 .]" 1
1024 1 62 PRO HA 1 62 PRO HB3 2.168 . 2.756 2.278 2.269 2.287 . 0 0 "[ . 1 .]" 1
1025 1 62 PRO HA 1 62 PRO HG2 2.998 . 4.122 3.959 3.924 3.994 . 0 0 "[ . 1 .]" 1
1026 1 62 PRO HA 1 63 LEU H 2.106 . 2.661 2.130 2.111 2.163 . 0 0 "[ . 1 .]" 1
1027 1 62 PRO HA 1 63 LEU HA 3.176 . 4.437 4.392 4.354 4.411 . 0 0 "[ . 1 .]" 1
1028 1 62 PRO HB2 1 62 PRO HG2 2.260 . 2.899 2.315 2.280 2.328 . 0 0 "[ . 1 .]" 1
1029 1 62 PRO HB2 1 62 PRO HG3 2.306 . 2.971 2.969 2.719 2.991 0.020 8 0 "[ . 1 .]" 1
1030 1 62 PRO HD2 1 62 PRO HG2 1.879 . 2.320 2.310 2.244 2.321 0.001 3 0 "[ . 1 .]" 1
1031 1 62 PRO HD2 1 62 PRO HG3 2.759 . 3.710 2.974 2.763 2.994 . 0 0 "[ . 1 .]" 1
1032 1 62 PRO HD3 1 62 PRO HG2 2.137 . 2.708 2.696 2.673 2.908 0.200 6 0 "[ . 1 .]" 1
1033 1 62 PRO HD3 1 62 PRO HG3 1.854 . 2.284 2.305 2.251 2.316 0.032 7 0 "[ . 1 .]" 1
1034 1 63 LEU H 1 63 LEU HA 2.952 . 4.041 2.932 2.917 2.952 . 0 0 "[ . 1 .]" 1
1035 1 63 LEU H 1 63 LEU HB3 2.789 . 3.761 3.666 3.615 3.754 . 0 0 "[ . 1 .]" 1
1036 1 63 LEU H 1 63 LEU HG 3.335 . 4.725 2.711 2.585 2.862 . 0 0 "[ . 1 .]" 1
1037 1 63 LEU HA 1 63 LEU HB2 2.465 . 3.225 3.019 3.015 3.023 . 0 0 "[ . 1 .]" 1
1038 1 63 LEU HA 1 63 LEU HB3 2.081 . 2.622 2.468 2.428 2.510 . 0 0 "[ . 1 .]" 1
1039 1 63 LEU HA 1 63 LEU MD1 3.470 . 4.976 3.858 3.829 3.873 . 0 0 "[ . 1 .]" 1
1040 1 63 LEU HA 1 63 LEU HG 2.491 . 3.266 3.131 3.029 3.241 . 0 0 "[ . 1 .]" 1
1041 1 63 LEU HA 1 64 TYR H 2.181 . 2.776 2.759 2.626 2.877 0.101 6 0 "[ . 1 .]" 1
1042 1 63 LEU HB2 1 64 TYR H 3.348 . 4.749 2.878 2.706 2.986 . 0 0 "[ . 1 .]" 1
1043 1 63 LEU HB3 1 64 TYR H 2.848 . 3.862 1.799 1.728 1.909 0.106 5 0 "[ . 1 .]" 1
1044 1 63 LEU MD1 1 64 TYR H 3.222 . 4.520 3.839 3.765 3.917 . 0 0 "[ . 1 .]" 1
1045 1 63 LEU HG 1 64 TYR H 4.439 . 6.902 4.576 4.511 4.650 . 0 0 "[ . 1 .]" 1
1046 1 64 TYR H 1 64 TYR HA 2.876 . 3.910 2.856 2.252 2.948 . 0 0 "[ . 1 .]" 1
1047 1 64 TYR H 1 64 TYR HB2 3.118 . 4.333 2.985 2.422 3.744 . 0 0 "[ . 1 .]" 1
1048 1 64 TYR H 1 64 TYR HB3 2.753 . 3.700 3.596 2.860 3.895 0.195 11 0 "[ . 1 .]" 1
1049 1 64 TYR H 1 64 TYR QD 2.471 . 3.234 2.741 1.878 3.189 . 0 0 "[ . 1 .]" 1
1050 1 64 TYR HA 1 64 TYR HB2 2.310 . 2.977 2.906 2.529 3.027 0.050 14 0 "[ . 1 .]" 1
1051 1 64 TYR HA 1 64 TYR HB3 2.342 . 3.027 2.398 2.274 2.558 . 0 0 "[ . 1 .]" 1
1052 1 64 TYR HA 1 65 LEU H 2.595 . 3.437 2.961 2.139 3.544 0.107 2 0 "[ . 1 .]" 1
1053 1 64 TYR HB2 1 64 TYR QD 2.909 . 3.967 2.385 2.278 2.528 . 0 0 "[ . 1 .]" 1
1054 1 64 TYR HB3 1 64 TYR QD 2.307 . 2.973 2.446 2.296 2.651 . 0 0 "[ . 1 .]" 1
1055 1 64 TYR HB3 1 64 TYR HE1 3.501 . 5.033 5.038 4.691 5.469 0.436 4 0 "[ . 1 .]" 1
1056 1 64 TYR HB3 1 65 LEU H 2.697 . 3.606 3.558 2.304 4.342 0.736 13 3 "[ .- 1 + *]" 1
1057 1 65 LEU H 1 65 LEU HA 2.919 . 3.984 2.913 2.835 2.945 . 0 0 "[ . 1 .]" 1
1058 1 65 LEU H 1 65 LEU HB3 2.685 . 3.586 3.303 2.464 3.670 0.084 9 0 "[ . 1 .]" 1
1059 1 65 LEU HA 1 65 LEU HB3 2.069 . 2.604 2.615 2.330 3.024 0.420 4 0 "[ . 1 .]" 1
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