NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
529531 |
2lo0   |
18187 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lo0
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 2028
_Distance_constraint_stats_list.Viol_count 1306
_Distance_constraint_stats_list.Viol_total 2471.277
_Distance_constraint_stats_list.Viol_max 0.992
_Distance_constraint_stats_list.Viol_rms 0.0624
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.1892
_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 31 PRO 4.070 0.952 4 4 "[* +- *]"
1 32 SER 3.231 0.952 4 3 "[- +* 1]"
1 33 GLY 2.014 0.527 1 1 "[+ . 1]"
1 34 GLU 5.651 0.809 1 1 "[+ . 1]"
1 35 SER 2.026 0.899 1 2 "[+ . -]"
1 36 VAL 20.121 0.567 7 7 "[-* **+ **]"
1 37 VAL 16.817 0.478 9 0 "[ . 1]"
1 38 ALA 5.241 0.290 6 0 "[ . 1]"
1 39 THR 6.647 0.567 7 7 "[-* **+ **]"
1 40 GLU 1.883 0.418 1 0 "[ . 1]"
1 41 ALA 11.027 0.464 10 0 "[ . 1]"
1 42 PHE 12.932 0.491 5 0 "[ . 1]"
1 43 TRP 9.403 0.648 2 2 "[ + . -]"
1 44 ASP 2.594 0.464 10 0 "[ . 1]"
1 45 ASP 4.475 0.427 3 0 "[ . 1]"
1 46 LEU 8.868 0.427 3 0 "[ . 1]"
1 47 GLN 5.577 0.625 2 1 "[ + . 1]"
1 48 GLY 0.512 0.512 2 1 "[ + . 1]"
1 49 PHE 7.060 0.992 1 4 "[+* . * -]"
1 50 LEU 3.745 0.199 4 0 "[ . 1]"
1 51 GLU 2.300 0.378 8 0 "[ . 1]"
1 52 GLN 0.149 0.149 6 0 "[ . 1]"
1 53 ARG 4.448 0.992 1 3 "[+- . * 1]"
1 54 LEU 4.934 0.446 9 0 "[ . 1]"
1 55 LYS 3.112 0.945 4 2 "[ +- 1]"
1 56 ASP 0.879 0.262 5 0 "[ . 1]"
1 57 TYR 0.804 0.217 1 0 "[ . 1]"
1 58 ASP 1.835 0.348 1 0 "[ . 1]"
1 59 GLU 1.948 0.246 5 0 "[ . 1]"
1 60 ALA 4.060 0.377 5 0 "[ . 1]"
1 61 ASN 3.361 0.378 8 0 "[ . 1]"
1 62 LYS 1.795 0.291 1 0 "[ . 1]"
1 63 LEU 3.872 0.340 5 0 "[ . 1]"
1 64 ARG 4.747 0.648 2 1 "[ + . 1]"
1 65 VAL 5.220 0.906 9 4 "[ .- *+*]"
1 66 LEU 10.040 0.438 4 0 "[ . 1]"
1 67 PHE 12.014 0.444 9 0 "[ . 1]"
1 68 LYS 12.279 0.438 4 0 "[ . 1]"
1 69 GLU 18.195 0.906 9 4 "[ .* -+*]"
1 70 ALA 3.428 0.275 6 0 "[ . 1]"
1 71 TRP 11.719 0.448 9 0 "[ . 1]"
1 72 ARG 7.723 0.669 9 3 "[ - . +*]"
1 73 SER 4.180 0.420 5 0 "[ . 1]"
1 74 SER 4.961 0.420 5 0 "[ . 1]"
1 75 PHE 2.146 0.433 3 0 "[ . 1]"
2 31 PRO 4.046 0.945 4 4 "[* +- *]"
2 32 SER 3.220 0.945 4 3 "[- +* 1]"
2 33 GLY 2.084 0.531 1 1 "[+ . 1]"
2 34 GLU 5.661 0.810 1 1 "[+ . 1]"
2 35 SER 2.024 0.894 1 2 "[+ . -]"
2 36 VAL 20.054 0.570 5 7 "[-* +** **]"
2 37 VAL 16.760 0.462 8 0 "[ . 1]"
2 38 ALA 5.226 0.280 5 0 "[ . 1]"
2 39 THR 6.658 0.570 5 7 "[-* +** **]"
2 40 GLU 1.833 0.420 1 0 "[ . 1]"
2 41 ALA 10.933 0.465 10 0 "[ . 1]"
2 42 PHE 12.940 0.494 5 0 "[ . 1]"
2 43 TRP 9.400 0.649 2 2 "[ + . -]"
2 44 ASP 2.572 0.465 10 0 "[ . 1]"
2 45 ASP 4.507 0.420 3 0 "[ . 1]"
2 46 LEU 8.855 0.420 3 0 "[ . 1]"
2 47 GLN 5.654 0.641 2 1 "[ + . 1]"
2 48 GLY 0.520 0.520 2 1 "[ + . 1]"
2 49 PHE 7.045 0.992 1 4 "[+* . * -]"
2 50 LEU 3.718 0.197 2 0 "[ . 1]"
2 51 GLU 2.305 0.375 8 0 "[ . 1]"
2 52 GLN 0.147 0.147 6 0 "[ . 1]"
2 53 ARG 4.530 0.992 1 3 "[+- . * 1]"
2 54 LEU 5.107 0.478 9 0 "[ . 1]"
2 55 LYS 3.126 0.952 4 2 "[ +- 1]"
2 56 ASP 0.830 0.212 1 0 "[ . 1]"
2 57 TYR 0.829 0.219 1 0 "[ . 1]"
2 58 ASP 1.811 0.345 1 0 "[ . 1]"
2 59 GLU 1.917 0.245 5 0 "[ . 1]"
2 60 ALA 4.056 0.376 5 0 "[ . 1]"
2 61 ASN 3.388 0.376 1 0 "[ . 1]"
2 62 LYS 1.784 0.289 1 0 "[ . 1]"
2 63 LEU 3.879 0.340 5 0 "[ . 1]"
2 64 ARG 4.798 0.649 2 1 "[ + . 1]"
2 65 VAL 5.219 0.911 9 4 "[ .- *+*]"
2 66 LEU 10.048 0.440 9 0 "[ . 1]"
2 67 PHE 12.032 0.448 9 0 "[ . 1]"
2 68 LYS 12.224 0.440 9 0 "[ . 1]"
2 69 GLU 18.193 0.911 9 4 "[ .* -+*]"
2 70 ALA 3.418 0.279 6 0 "[ . 1]"
2 71 TRP 11.743 0.444 9 0 "[ . 1]"
2 72 ARG 7.718 0.665 9 3 "[ - . +*]"
2 73 SER 4.210 0.423 4 0 "[ . 1]"
2 74 SER 5.005 0.423 4 0 "[ . 1]"
2 75 PHE 2.161 0.436 3 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 54 LEU QD 2 42 PHE HZ 2.978 . 3.859 3.072 2.944 3.206 . 0 0 "[ . 1]" 1
2 1 42 PHE HZ 2 54 LEU QD 2.978 . 3.859 3.072 2.947 3.207 . 0 0 "[ . 1]" 1
3 1 54 LEU QD 1 56 ASP H 3.179 . 4.442 4.146 4.081 4.259 . 0 0 "[ . 1]" 1
4 2 54 LEU QD 2 56 ASP H 3.179 . 4.442 4.146 4.082 4.260 . 0 0 "[ . 1]" 1
5 1 54 LEU H 1 54 LEU QD 2.815 . 3.229 2.244 2.201 2.304 . 0 0 "[ . 1]" 1
6 2 54 LEU H 2 54 LEU QD 2.815 . 3.229 2.245 2.204 2.307 . 0 0 "[ . 1]" 1
7 1 54 LEU QD 1 60 ALA H 2.773 . 3.734 3.474 3.350 3.654 . 0 0 "[ . 1]" 1
8 2 54 LEU QD 2 60 ALA H 2.773 . 3.734 3.474 3.348 3.658 . 0 0 "[ . 1]" 1
9 1 42 PHE QE 1 46 LEU HG 2.838 . 3.845 3.148 3.009 3.320 . 0 0 "[ . 1]" 1
10 2 42 PHE QE 2 46 LEU HG 2.838 . 3.845 3.148 3.011 3.320 . 0 0 "[ . 1]" 1
11 1 63 LEU QD 2 42 PHE QE 3.233 . 4.540 3.561 3.398 3.674 . 0 0 "[ . 1]" 1
12 1 42 PHE QE 2 63 LEU QD 3.233 . 4.540 3.562 3.432 3.663 . 0 0 "[ . 1]" 1
13 1 54 LEU QD 2 42 PHE HE1 2.895 . 3.943 2.046 1.995 2.113 . 0 0 "[ . 1]" 1
14 1 42 PHE HE1 2 54 LEU QD 2.895 . 3.943 2.046 1.995 2.102 . 0 0 "[ . 1]" 1
15 1 43 TRP HE3 1 46 LEU HG 2.642 . 3.515 3.022 2.937 3.106 . 0 0 "[ . 1]" 1
16 2 43 TRP HE3 2 46 LEU HG 2.642 . 3.515 3.022 2.933 3.104 . 0 0 "[ . 1]" 1
17 1 46 LEU HG 2 67 PHE QE 2.638 . 3.508 3.730 3.638 3.847 0.339 4 0 "[ . 1]" 1
18 1 67 PHE QE 2 46 LEU HG 2.638 . 3.508 3.730 3.595 3.831 0.323 2 0 "[ . 1]" 1
19 1 43 TRP HZ3 1 46 LEU HG 2.777 . 3.741 3.012 2.879 3.148 . 0 0 "[ . 1]" 1
20 2 43 TRP HZ3 2 46 LEU HG 2.777 . 3.741 3.013 2.880 3.152 . 0 0 "[ . 1]" 1
21 1 42 PHE HZ 1 46 LEU HG 2.986 . 4.101 3.848 3.446 4.138 0.037 6 0 "[ . 1]" 1
22 2 42 PHE HZ 2 46 LEU HG 2.986 . 4.101 3.849 3.445 4.136 0.035 6 0 "[ . 1]" 1
23 1 66 LEU HG 1 67 PHE QE 2.693 . 3.599 3.595 3.526 3.629 0.030 8 0 "[ . 1]" 1
24 2 66 LEU HG 2 67 PHE QE 2.693 . 3.599 3.593 3.526 3.627 0.028 8 0 "[ . 1]" 1
25 1 66 LEU HG 1 67 PHE QD 2.709 . 3.626 2.590 2.506 2.666 . 0 0 "[ . 1]" 1
26 2 66 LEU HG 2 67 PHE QD 2.709 . 3.626 2.590 2.511 2.664 . 0 0 "[ . 1]" 1
27 1 63 LEU H 1 63 LEU QD 2.717 . 3.640 3.304 3.217 3.335 . 0 0 "[ . 1]" 1
28 2 63 LEU H 2 63 LEU QD 2.717 . 3.640 3.304 3.215 3.340 . 0 0 "[ . 1]" 1
29 1 50 LEU MD2 1 64 ARG H 2.905 . 3.960 2.906 2.789 3.077 . 0 0 "[ . 1]" 1
30 2 50 LEU MD2 2 64 ARG H 2.905 . 3.960 2.906 2.789 3.081 . 0 0 "[ . 1]" 1
31 1 50 LEU MD2 1 67 PHE QE 3.028 . 4.174 2.708 2.602 2.833 . 0 0 "[ . 1]" 1
32 2 50 LEU MD2 2 67 PHE QE 3.028 . 4.174 2.708 2.600 2.832 . 0 0 "[ . 1]" 1
33 1 63 LEU QD 1 67 PHE QE 2.866 . 3.058 2.451 2.348 2.570 . 0 0 "[ . 1]" 1
34 2 63 LEU QD 2 67 PHE QE 2.866 . 3.058 2.451 2.345 2.569 . 0 0 "[ . 1]" 1
35 1 63 LEU QD 1 67 PHE HZ 2.739 . 3.677 2.290 2.212 2.363 . 0 0 "[ . 1]" 1
36 2 63 LEU QD 2 67 PHE HZ 2.739 . 3.677 2.289 2.220 2.360 . 0 0 "[ . 1]" 1
37 1 50 LEU MD2 1 67 PHE QD 2.621 . 3.480 3.171 3.101 3.295 . 0 0 "[ . 1]" 1
38 2 50 LEU MD2 2 67 PHE QD 2.621 . 3.480 3.171 3.101 3.295 . 0 0 "[ . 1]" 1
39 1 63 LEU QD 2 42 PHE HZ 3.043 . 4.201 3.055 2.817 3.182 . 0 0 "[ . 1]" 1
40 1 42 PHE HZ 2 63 LEU QD 3.043 . 4.201 3.057 2.859 3.174 . 0 0 "[ . 1]" 1
41 1 43 TRP HA 1 46 LEU HG 2.802 . 3.783 3.573 3.506 3.609 . 0 0 "[ . 1]" 1
42 2 43 TRP HA 2 46 LEU HG 2.802 . 3.783 3.572 3.504 3.606 . 0 0 "[ . 1]" 1
43 1 68 LYS HA 1 68 LYS HG3 2.424 . 3.159 2.479 2.441 2.535 . 0 0 "[ . 1]" 1
44 2 68 LYS HA 2 68 LYS HG3 2.424 . 3.159 2.478 2.441 2.533 . 0 0 "[ . 1]" 1
45 1 50 LEU HA 1 50 LEU MD2 2.701 . 3.613 3.805 3.791 3.812 0.199 4 0 "[ . 1]" 1
46 2 50 LEU HA 2 50 LEU MD2 2.701 . 3.613 3.805 3.791 3.810 0.197 2 0 "[ . 1]" 1
47 1 54 LEU HA 1 54 LEU QD 2.740 . 2.845 2.403 2.178 2.551 . 0 0 "[ . 1]" 1
48 2 54 LEU HA 2 54 LEU QD 2.740 . 2.845 2.404 2.175 2.549 . 0 0 "[ . 1]" 1
49 1 54 LEU QD 2 33 GLY HA2 2.840 . 3.593 2.781 2.494 3.180 . 0 0 "[ . 1]" 1
50 1 33 GLY HA2 2 54 LEU QD 2.840 . 3.593 2.782 2.508 3.171 . 0 0 "[ . 1]" 1
51 1 54 LEU QD 1 60 ALA HA 2.387 . 3.099 2.592 2.405 2.816 . 0 0 "[ . 1]" 1
52 2 54 LEU QD 2 60 ALA HA 2.387 . 3.099 2.592 2.405 2.817 . 0 0 "[ . 1]" 1
53 1 50 LEU HA 1 54 LEU QD 2.822 . 3.818 2.302 2.153 2.452 . 0 0 "[ . 1]" 1
54 2 50 LEU HA 2 54 LEU QD 2.822 . 3.818 2.303 2.156 2.450 . 0 0 "[ . 1]" 1
55 1 39 THR H 1 39 THR MG 2.200 . 2.805 2.590 2.563 2.615 . 0 0 "[ . 1]" 1
56 2 39 THR H 2 39 THR MG 2.200 . 2.805 2.592 2.560 2.614 . 0 0 "[ . 1]" 1
57 1 39 THR MG 1 42 PHE H 2.942 . 4.024 4.061 3.993 4.156 0.132 8 0 "[ . 1]" 1
58 2 39 THR MG 2 42 PHE H 2.942 . 4.024 4.063 3.992 4.150 0.126 8 0 "[ . 1]" 1
59 1 38 ALA H 1 39 THR MG 2.855 . 3.874 3.243 3.213 3.291 . 0 0 "[ . 1]" 1
60 2 38 ALA H 2 39 THR MG 2.855 . 3.874 3.240 3.200 3.293 . 0 0 "[ . 1]" 1
61 1 37 VAL H 1 37 VAL MG2 2.129 . 2.696 1.978 1.928 2.060 . 0 0 "[ . 1]" 1
62 2 37 VAL H 2 37 VAL MG2 2.129 . 2.696 1.978 1.928 2.064 . 0 0 "[ . 1]" 1
63 1 37 VAL MG2 1 42 PHE HZ 2.827 . 3.826 3.473 3.191 3.812 . 0 0 "[ . 1]" 1
64 2 37 VAL MG2 2 42 PHE HZ 2.827 . 3.826 3.473 3.191 3.816 . 0 0 "[ . 1]" 1
65 1 37 VAL MG2 1 42 PHE HE1 2.700 . 3.611 3.359 3.008 3.851 0.240 3 0 "[ . 1]" 1
66 2 37 VAL MG2 2 42 PHE HE1 2.700 . 3.611 3.360 3.009 3.845 0.234 3 0 "[ . 1]" 1
67 1 37 VAL MG2 1 42 PHE HD1 2.882 . 3.920 3.911 3.677 4.325 0.405 3 0 "[ . 1]" 1
68 2 37 VAL MG2 2 42 PHE HD1 2.882 . 3.920 3.912 3.676 4.321 0.401 3 0 "[ . 1]" 1
69 1 54 LEU QD 2 37 VAL H 2.720 . 3.645 3.809 3.669 4.091 0.446 9 0 "[ . 1]" 1
70 1 37 VAL H 2 54 LEU QD 2.720 . 3.645 3.811 3.659 4.123 0.478 9 0 "[ . 1]" 1
71 1 54 LEU QD 2 42 PHE QE 2.476 . 3.242 2.042 1.993 2.109 . 0 0 "[ . 1]" 1
72 1 42 PHE QE 2 54 LEU QD 2.476 . 3.242 2.043 1.993 2.098 . 0 0 "[ . 1]" 1
73 1 54 LEU QD 2 42 PHE HD1 2.675 . 3.570 3.008 2.821 3.221 . 0 0 "[ . 1]" 1
74 1 42 PHE HD1 2 54 LEU QD 2.675 . 3.570 3.010 2.811 3.195 . 0 0 "[ . 1]" 1
75 1 63 LEU QD 2 71 TRP HD1 2.153 . 2.732 2.037 1.940 2.120 . 0 0 "[ . 1]" 1
76 1 71 TRP HD1 2 63 LEU QD 2.153 . 2.732 2.036 1.924 2.128 . 0 0 "[ . 1]" 1
77 1 63 LEU QD 1 67 PHE QD 2.759 . 3.710 3.644 3.523 3.765 0.055 4 0 "[ . 1]" 1
78 2 63 LEU QD 2 67 PHE QD 2.759 . 3.710 3.645 3.521 3.765 0.055 4 0 "[ . 1]" 1
79 1 50 LEU MD1 1 67 PHE QE 2.721 . 3.647 2.868 2.706 3.152 . 0 0 "[ . 1]" 1
80 2 50 LEU MD1 2 67 PHE QE 2.721 . 3.647 2.868 2.707 3.153 . 0 0 "[ . 1]" 1
81 1 49 PHE QD 1 50 LEU MD1 2.406 . 3.130 1.979 1.893 2.025 . 0 0 "[ . 1]" 1
82 2 49 PHE QD 2 50 LEU MD1 2.406 . 3.130 1.979 1.895 2.026 . 0 0 "[ . 1]" 1
83 1 50 LEU MD1 2 42 PHE HZ 2.315 . 2.985 2.452 2.351 2.610 . 0 0 "[ . 1]" 1
84 1 42 PHE HZ 2 50 LEU MD1 2.315 . 2.985 2.452 2.343 2.616 . 0 0 "[ . 1]" 1
85 1 50 LEU MD1 2 42 PHE HE1 2.487 . 3.260 2.779 2.629 2.902 . 0 0 "[ . 1]" 1
86 1 42 PHE HE1 2 50 LEU MD1 2.487 . 3.260 2.780 2.641 2.924 . 0 0 "[ . 1]" 1
87 1 36 VAL MG2 1 42 PHE QD 2.546 . 3.356 2.739 2.446 3.008 . 0 0 "[ . 1]" 1
88 2 36 VAL MG2 2 42 PHE QD 2.546 . 3.356 2.737 2.435 3.011 . 0 0 "[ . 1]" 1
89 1 36 VAL MG2 1 37 VAL H 2.826 . 3.824 3.748 3.612 3.958 0.134 5 0 "[ . 1]" 1
90 2 36 VAL MG2 2 37 VAL H 2.826 . 3.824 3.747 3.609 3.961 0.137 5 0 "[ . 1]" 1
91 1 37 VAL MG2 1 71 TRP HE1 2.910 . 3.969 3.728 3.595 3.854 . 0 0 "[ . 1]" 1
92 2 37 VAL MG2 2 71 TRP HE1 2.910 . 3.969 3.729 3.593 3.854 . 0 0 "[ . 1]" 1
93 1 37 VAL MG1 1 43 TRP HZ2 2.301 . 2.963 2.463 2.365 2.610 . 0 0 "[ . 1]" 1
94 2 37 VAL MG1 2 43 TRP HZ2 2.301 . 2.963 2.462 2.365 2.613 . 0 0 "[ . 1]" 1
95 1 37 VAL MG1 1 42 PHE HZ 2.843 . 3.854 3.216 3.151 3.344 . 0 0 "[ . 1]" 1
96 2 37 VAL MG1 2 42 PHE HZ 2.843 . 3.854 3.216 3.150 3.342 . 0 0 "[ . 1]" 1
97 1 37 VAL MG1 1 42 PHE QE 2.573 . 3.401 2.515 2.420 2.607 . 0 0 "[ . 1]" 1
98 2 37 VAL MG1 2 42 PHE QE 2.573 . 3.401 2.515 2.419 2.608 . 0 0 "[ . 1]" 1
99 1 37 VAL MG1 1 42 PHE QD 2.762 . 3.716 3.125 2.895 3.228 . 0 0 "[ . 1]" 1
100 2 37 VAL MG1 2 42 PHE QD 2.762 . 3.716 3.124 2.897 3.226 . 0 0 "[ . 1]" 1
101 1 38 ALA MB 1 39 THR H 2.608 . 3.458 3.524 3.510 3.533 0.075 7 0 "[ . 1]" 1
102 2 38 ALA MB 2 39 THR H 2.608 . 3.458 3.524 3.510 3.533 0.075 7 0 "[ . 1]" 1
103 1 37 VAL H 1 38 ALA MB 2.888 . 3.930 4.134 4.084 4.162 0.232 4 0 "[ . 1]" 1
104 2 37 VAL H 2 38 ALA MB 2.888 . 3.930 4.134 4.080 4.162 0.232 2 0 "[ . 1]" 1
105 1 38 ALA MB 1 71 TRP HZ2 2.510 . 3.298 2.279 2.149 2.379 . 0 0 "[ . 1]" 1
106 2 38 ALA MB 2 71 TRP HZ2 2.510 . 3.298 2.280 2.147 2.382 . 0 0 "[ . 1]" 1
107 1 38 ALA MB 1 71 TRP HH2 2.361 . 3.058 2.334 2.208 2.534 . 0 0 "[ . 1]" 1
108 2 38 ALA MB 2 71 TRP HH2 2.361 . 3.058 2.334 2.205 2.534 . 0 0 "[ . 1]" 1
109 1 51 GLU H 1 60 ALA MB 2.632 . 3.498 2.907 2.771 3.051 . 0 0 "[ . 1]" 1
110 2 51 GLU H 2 60 ALA MB 2.632 . 3.498 2.907 2.768 3.050 . 0 0 "[ . 1]" 1
111 1 60 ALA MB 1 61 ASN H 2.340 . 3.024 2.546 2.486 2.648 . 0 0 "[ . 1]" 1
112 2 60 ALA MB 2 61 ASN H 2.340 . 3.024 2.546 2.484 2.648 . 0 0 "[ . 1]" 1
113 1 60 ALA H 1 60 ALA MB 2.125 . 2.689 2.235 2.223 2.246 . 0 0 "[ . 1]" 1
114 2 60 ALA H 2 60 ALA MB 2.125 . 2.689 2.235 2.223 2.245 . 0 0 "[ . 1]" 1
115 1 65 VAL MG1 1 66 LEU H 2.649 . 3.526 3.344 3.290 3.411 . 0 0 "[ . 1]" 1
116 2 65 VAL MG1 2 66 LEU H 2.649 . 3.526 3.345 3.284 3.407 . 0 0 "[ . 1]" 1
117 1 36 VAL H 1 36 VAL MG1 2.341 . 3.026 2.045 1.893 2.229 . 0 0 "[ . 1]" 1
118 2 36 VAL H 2 36 VAL MG1 2.341 . 3.026 2.045 1.896 2.228 . 0 0 "[ . 1]" 1
119 1 36 VAL MG1 1 37 VAL H 2.876 . 3.910 2.304 2.173 2.452 . 0 0 "[ . 1]" 1
120 2 36 VAL MG1 2 37 VAL H 2.876 . 3.910 2.303 2.170 2.452 . 0 0 "[ . 1]" 1
121 1 37 VAL MG1 1 71 TRP HE1 2.590 . 3.429 2.833 2.647 2.921 . 0 0 "[ . 1]" 1
122 2 37 VAL MG1 2 71 TRP HE1 2.590 . 3.429 2.834 2.655 2.923 . 0 0 "[ . 1]" 1
123 1 37 VAL MG1 1 43 TRP HE1 2.523 . 3.319 3.162 3.070 3.297 . 0 0 "[ . 1]" 1
124 2 37 VAL MG1 2 43 TRP HE1 2.523 . 3.319 3.161 3.064 3.299 . 0 0 "[ . 1]" 1
125 1 41 ALA H 1 41 ALA MB 1.944 . 2.416 2.223 2.212 2.231 . 0 0 "[ . 1]" 1
126 2 41 ALA H 2 41 ALA MB 1.944 . 2.416 2.222 2.215 2.229 . 0 0 "[ . 1]" 1
127 1 41 ALA MB 1 42 PHE H 2.415 . 3.144 2.607 2.561 2.675 . 0 0 "[ . 1]" 1
128 2 41 ALA MB 2 42 PHE H 2.415 . 3.144 2.606 2.560 2.676 . 0 0 "[ . 1]" 1
129 1 46 LEU H 1 46 LEU MD2 2.821 . 3.816 3.858 3.794 3.919 0.103 3 0 "[ . 1]" 1
130 2 46 LEU H 2 46 LEU MD2 2.821 . 3.816 3.858 3.794 3.915 0.099 3 0 "[ . 1]" 1
131 1 46 LEU MD2 2 67 PHE QE 2.580 . 3.412 3.325 3.152 3.589 0.177 3 0 "[ . 1]" 1
132 1 67 PHE QE 2 46 LEU MD2 2.580 . 3.412 3.324 3.134 3.568 0.156 3 0 "[ . 1]" 1
133 1 46 LEU MD2 2 49 PHE QD 2.108 . 2.663 2.315 2.143 2.382 . 0 0 "[ . 1]" 1
134 1 49 PHE QD 2 46 LEU MD2 2.108 . 2.663 2.315 2.146 2.371 . 0 0 "[ . 1]" 1
135 1 42 PHE HZ 1 46 LEU MD2 2.496 . 3.275 3.193 3.088 3.287 0.012 1 0 "[ . 1]" 1
136 2 42 PHE HZ 2 46 LEU MD2 2.496 . 3.275 3.194 3.088 3.291 0.016 1 0 "[ . 1]" 1
137 1 42 PHE QE 1 46 LEU MD2 2.768 . 3.726 3.439 3.352 3.518 . 0 0 "[ . 1]" 1
138 2 42 PHE QE 2 46 LEU MD2 2.768 . 3.726 3.439 3.350 3.519 . 0 0 "[ . 1]" 1
139 1 50 LEU H 1 50 LEU MD1 2.676 . 3.571 2.406 2.343 2.491 . 0 0 "[ . 1]" 1
140 2 50 LEU H 2 50 LEU MD1 2.676 . 3.571 2.407 2.342 2.490 . 0 0 "[ . 1]" 1
141 1 31 PRO HA 1 31 PRO QB 2.007 . 2.510 2.170 2.158 2.187 . 0 0 "[ . 1]" 1
142 2 31 PRO HA 2 31 PRO QB 2.007 . 2.510 2.170 2.160 2.187 . 0 0 "[ . 1]" 1
143 1 31 PRO QB 1 35 SER QB 2.486 . 3.259 2.827 2.036 4.158 0.899 1 2 "[+ . -]" 1
144 2 31 PRO QB 2 35 SER QB 2.486 . 3.259 2.826 2.039 4.153 0.894 1 2 "[+ . -]" 1
145 1 52 GLN HA 1 52 GLN HG2 2.384 . 3.094 2.536 2.495 2.568 . 0 0 "[ . 1]" 1
146 2 52 GLN HA 2 52 GLN HG2 2.384 . 3.094 2.537 2.497 2.569 . 0 0 "[ . 1]" 1
147 1 55 LYS HA 1 55 LYS QB 2.486 . 2.878 2.395 2.363 2.465 . 0 0 "[ . 1]" 1
148 2 55 LYS HA 2 55 LYS QB 2.486 . 2.878 2.395 2.363 2.465 . 0 0 "[ . 1]" 1
149 1 55 LYS HD2 1 55 LYS QE 2.299 . 2.960 2.343 2.302 2.362 . 0 0 "[ . 1]" 1
150 2 55 LYS HD2 2 55 LYS QE 2.299 . 2.960 2.343 2.305 2.360 . 0 0 "[ . 1]" 1
151 1 55 LYS HD3 1 55 LYS QE 2.398 . 3.117 2.276 2.169 2.388 . 0 0 "[ . 1]" 1
152 2 55 LYS HD3 2 55 LYS QE 2.398 . 3.117 2.276 2.168 2.388 . 0 0 "[ . 1]" 1
153 1 72 ARG HD2 1 72 ARG HG3 2.416 . 3.145 2.793 2.457 3.011 . 0 0 "[ . 1]" 1
154 2 72 ARG HD2 2 72 ARG HG3 2.416 . 3.145 2.793 2.456 3.011 . 0 0 "[ . 1]" 1
155 1 40 GLU HA 1 40 GLU QG 2.502 . 3.285 2.672 2.391 3.345 0.060 7 0 "[ . 1]" 1
156 2 40 GLU HA 2 40 GLU QG 2.502 . 3.285 2.672 2.387 3.347 0.062 7 0 "[ . 1]" 1
157 1 59 GLU HA 1 59 GLU HG3 2.644 . 3.518 2.868 2.672 2.954 . 0 0 "[ . 1]" 1
158 2 59 GLU HA 2 59 GLU HG3 2.644 . 3.518 2.869 2.679 2.954 . 0 0 "[ . 1]" 1
159 1 75 PHE HA 1 75 PHE HB2 2.402 . 3.123 3.024 3.019 3.025 . 0 0 "[ . 1]" 1
160 2 75 PHE HA 2 75 PHE HB2 2.402 . 3.123 3.022 3.019 3.024 . 0 0 "[ . 1]" 1
161 1 61 ASN HA 1 61 ASN HB2 2.420 . 3.152 2.515 2.485 2.635 . 0 0 "[ . 1]" 1
162 2 61 ASN HA 2 61 ASN HB2 2.420 . 3.152 2.514 2.484 2.635 . 0 0 "[ . 1]" 1
163 1 61 ASN HA 1 61 ASN HB3 2.279 . 2.928 3.019 2.991 3.024 0.096 8 0 "[ . 1]" 1
164 2 61 ASN HA 2 61 ASN HB3 2.279 . 2.928 3.020 2.993 3.026 0.098 9 0 "[ . 1]" 1
165 1 42 PHE HA 1 45 ASP HB2 3.039 . 4.193 3.245 3.025 3.640 . 0 0 "[ . 1]" 1
166 2 42 PHE HA 2 45 ASP HB2 3.039 . 4.193 3.244 3.019 3.639 . 0 0 "[ . 1]" 1
167 1 52 GLN H 1 52 GLN HG2 2.583 . 3.417 3.315 3.194 3.566 0.149 6 0 "[ . 1]" 1
168 2 52 GLN H 2 52 GLN HG2 2.583 . 3.417 3.316 3.190 3.564 0.147 6 0 "[ . 1]" 1
169 1 52 GLN H 1 52 GLN HG3 2.566 . 3.389 2.126 2.059 2.287 . 0 0 "[ . 1]" 1
170 2 52 GLN H 2 52 GLN HG3 2.566 . 3.389 2.126 2.053 2.285 . 0 0 "[ . 1]" 1
171 1 36 VAL H 1 36 VAL HB 2.583 . 3.417 2.662 2.619 2.751 . 0 0 "[ . 1]" 1
172 2 36 VAL H 2 36 VAL HB 2.583 . 3.417 2.664 2.620 2.761 . 0 0 "[ . 1]" 1
173 1 40 GLU H 1 40 GLU QB 2.455 . 3.208 2.459 2.345 2.576 . 0 0 "[ . 1]" 1
174 2 40 GLU H 2 40 GLU QB 2.455 . 3.208 2.456 2.350 2.573 . 0 0 "[ . 1]" 1
175 1 40 GLU QB 1 41 ALA H 2.609 . 3.460 2.735 2.523 3.478 0.018 7 0 "[ . 1]" 1
176 2 40 GLU QB 2 41 ALA H 2.609 . 3.460 2.733 2.525 3.475 0.015 7 0 "[ . 1]" 1
177 1 61 ASN H 1 61 ASN HB2 2.480 . 3.249 2.464 2.268 2.520 . 0 0 "[ . 1]" 1
178 2 61 ASN H 2 61 ASN HB2 2.480 . 3.249 2.467 2.265 2.521 . 0 0 "[ . 1]" 1
179 1 61 ASN H 1 61 ASN HB3 2.330 . 3.009 2.585 2.527 2.816 . 0 0 "[ . 1]" 1
180 2 61 ASN H 2 61 ASN HB3 2.330 . 3.009 2.584 2.521 2.818 . 0 0 "[ . 1]" 1
181 1 40 GLU H 1 40 GLU QG 2.443 . 3.189 2.224 2.044 2.391 . 0 0 "[ . 1]" 1
182 2 40 GLU H 2 40 GLU QG 2.443 . 3.189 2.224 2.041 2.385 . 0 0 "[ . 1]" 1
183 1 57 TYR HB3 1 57 TYR QD 2.658 . 3.541 2.349 2.314 2.391 . 0 0 "[ . 1]" 1
184 2 57 TYR HB3 2 57 TYR QD 2.658 . 3.541 2.349 2.314 2.392 . 0 0 "[ . 1]" 1
185 1 33 GLY HA2 1 34 GLU H 2.442 . 3.187 2.863 2.456 3.484 0.297 5 0 "[ . 1]" 1
186 2 33 GLY HA2 2 34 GLU H 2.442 . 3.187 2.864 2.460 3.484 0.297 5 0 "[ . 1]" 1
187 1 38 ALA HA 1 71 TRP HH2 2.603 . 3.450 2.124 2.036 2.200 . 0 0 "[ . 1]" 1
188 2 38 ALA HA 2 71 TRP HH2 2.603 . 3.450 2.125 2.041 2.201 . 0 0 "[ . 1]" 1
189 1 38 ALA H 1 38 ALA HA 2.555 . 3.371 2.885 2.877 2.893 . 0 0 "[ . 1]" 1
190 2 38 ALA H 2 38 ALA HA 2.555 . 3.371 2.885 2.876 2.894 . 0 0 "[ . 1]" 1
191 1 45 ASP H 1 45 ASP HA 2.348 . 3.037 2.848 2.833 2.857 . 0 0 "[ . 1]" 1
192 2 45 ASP H 2 45 ASP HA 2.348 . 3.037 2.848 2.831 2.857 . 0 0 "[ . 1]" 1
193 1 45 ASP HA 1 48 GLY H 2.664 . 3.551 3.035 2.926 3.223 . 0 0 "[ . 1]" 1
194 2 45 ASP HA 2 48 GLY H 2.664 . 3.551 3.034 2.930 3.221 . 0 0 "[ . 1]" 1
195 1 63 LEU H 1 63 LEU HA 2.682 . 3.581 2.874 2.871 2.879 . 0 0 "[ . 1]" 1
196 2 63 LEU H 2 63 LEU HA 2.682 . 3.581 2.874 2.871 2.879 . 0 0 "[ . 1]" 1
197 1 55 LYS H 1 55 LYS HA 2.267 . 2.909 2.257 2.252 2.263 . 0 0 "[ . 1]" 1
198 2 55 LYS H 2 55 LYS HA 2.267 . 2.909 2.257 2.250 2.262 . 0 0 "[ . 1]" 1
199 1 61 ASN H 1 61 ASN HA 2.450 . 3.200 2.842 2.828 2.849 . 0 0 "[ . 1]" 1
200 2 61 ASN H 2 61 ASN HA 2.450 . 3.200 2.843 2.828 2.849 . 0 0 "[ . 1]" 1
201 1 53 ARG H 1 53 ARG HA 2.614 . 3.468 2.862 2.849 2.884 . 0 0 "[ . 1]" 1
202 2 53 ARG H 2 53 ARG HA 2.614 . 3.468 2.862 2.847 2.883 . 0 0 "[ . 1]" 1
203 1 60 ALA H 1 60 ALA HA 2.570 . 3.395 2.835 2.826 2.839 . 0 0 "[ . 1]" 1
204 2 60 ALA H 2 60 ALA HA 2.570 . 3.395 2.834 2.826 2.839 . 0 0 "[ . 1]" 1
205 1 54 LEU H 1 54 LEU HA 2.427 . 3.164 2.880 2.858 2.897 . 0 0 "[ . 1]" 1
206 2 54 LEU H 2 54 LEU HA 2.427 . 3.164 2.880 2.859 2.899 . 0 0 "[ . 1]" 1
207 1 41 ALA H 1 41 ALA HA 2.270 . 2.914 2.787 2.770 2.796 . 0 0 "[ . 1]" 1
208 2 41 ALA H 2 41 ALA HA 2.270 . 2.914 2.786 2.771 2.795 . 0 0 "[ . 1]" 1
209 1 70 ALA H 1 70 ALA HA 2.371 . 3.074 2.844 2.835 2.854 . 0 0 "[ . 1]" 1
210 2 70 ALA H 2 70 ALA HA 2.371 . 3.074 2.844 2.834 2.854 . 0 0 "[ . 1]" 1
211 1 68 LYS H 1 68 LYS HA 2.625 . 3.486 2.826 2.816 2.831 . 0 0 "[ . 1]" 1
212 2 68 LYS H 2 68 LYS HA 2.625 . 3.486 2.826 2.818 2.831 . 0 0 "[ . 1]" 1
213 1 62 LYS H 1 62 LYS HA 2.352 . 3.043 2.794 2.786 2.806 . 0 0 "[ . 1]" 1
214 2 62 LYS H 2 62 LYS HA 2.352 . 3.043 2.794 2.786 2.804 . 0 0 "[ . 1]" 1
215 1 73 SER H 1 73 SER HA 2.279 . 2.928 2.846 2.841 2.855 . 0 0 "[ . 1]" 1
216 2 73 SER H 2 73 SER HA 2.279 . 2.928 2.846 2.841 2.854 . 0 0 "[ . 1]" 1
217 1 40 GLU H 1 40 GLU HA 2.368 . 3.069 2.834 2.828 2.840 . 0 0 "[ . 1]" 1
218 2 40 GLU H 2 40 GLU HA 2.368 . 3.069 2.834 2.828 2.840 . 0 0 "[ . 1]" 1
219 1 59 GLU H 1 59 GLU HA 2.483 . 3.254 2.844 2.820 2.852 . 0 0 "[ . 1]" 1
220 2 59 GLU H 2 59 GLU HA 2.483 . 3.254 2.844 2.819 2.853 . 0 0 "[ . 1]" 1
221 1 59 GLU HA 1 62 LYS H 2.582 . 3.415 3.317 3.141 3.556 0.141 3 0 "[ . 1]" 1
222 2 59 GLU HA 2 62 LYS H 2.582 . 3.415 3.318 3.138 3.559 0.144 3 0 "[ . 1]" 1
223 1 32 SER HA 1 33 GLY H 2.271 . 2.916 2.662 2.264 3.443 0.527 1 1 "[+ . 1]" 1
224 2 32 SER HA 2 33 GLY H 2.271 . 2.916 2.661 2.266 3.447 0.531 1 1 "[+ . 1]" 1
225 1 66 LEU H 1 66 LEU HA 2.446 . 3.194 2.788 2.782 2.800 . 0 0 "[ . 1]" 1
226 2 66 LEU H 2 66 LEU HA 2.446 . 3.194 2.789 2.780 2.800 . 0 0 "[ . 1]" 1
227 1 46 LEU H 1 46 LEU HA 2.709 . 3.626 2.783 2.778 2.788 . 0 0 "[ . 1]" 1
228 2 46 LEU H 2 46 LEU HA 2.709 . 3.626 2.784 2.779 2.790 . 0 0 "[ . 1]" 1
229 1 52 GLN H 1 52 GLN HA 2.355 . 3.048 2.797 2.771 2.820 . 0 0 "[ . 1]" 1
230 2 52 GLN H 2 52 GLN HA 2.355 . 3.048 2.796 2.770 2.817 . 0 0 "[ . 1]" 1
231 1 50 LEU H 1 50 LEU HA 2.662 . 3.548 2.825 2.818 2.834 . 0 0 "[ . 1]" 1
232 2 50 LEU H 2 50 LEU HA 2.662 . 3.548 2.825 2.818 2.834 . 0 0 "[ . 1]" 1
233 1 49 PHE H 1 49 PHE HA 2.544 . 3.353 2.840 2.837 2.844 . 0 0 "[ . 1]" 1
234 2 49 PHE H 2 49 PHE HA 2.544 . 3.353 2.841 2.838 2.843 . 0 0 "[ . 1]" 1
235 1 49 PHE HA 1 49 PHE QD 2.435 . 3.176 2.747 2.614 2.899 . 0 0 "[ . 1]" 1
236 2 49 PHE HA 2 49 PHE QD 2.435 . 3.176 2.747 2.610 2.901 . 0 0 "[ . 1]" 1
237 1 46 LEU HA 2 49 PHE QE 2.600 . 3.445 2.993 2.547 3.209 . 0 0 "[ . 1]" 1
238 1 49 PHE QE 2 46 LEU HA 2.600 . 3.445 2.992 2.518 3.207 . 0 0 "[ . 1]" 1
239 1 35 SER H 1 35 SER QB 2.383 . 3.093 2.421 2.219 2.708 . 0 0 "[ . 1]" 1
240 2 35 SER H 2 35 SER QB 2.383 . 3.093 2.422 2.218 2.707 . 0 0 "[ . 1]" 1
241 1 57 TYR H 1 57 TYR HA 2.551 . 3.364 2.826 2.810 2.839 . 0 0 "[ . 1]" 1
242 2 57 TYR H 2 57 TYR HA 2.551 . 3.364 2.826 2.811 2.839 . 0 0 "[ . 1]" 1
243 1 42 PHE H 1 42 PHE HA 2.691 . 3.596 2.823 2.819 2.830 . 0 0 "[ . 1]" 1
244 2 42 PHE H 2 42 PHE HA 2.691 . 3.596 2.823 2.818 2.831 . 0 0 "[ . 1]" 1
245 1 71 TRP HA 1 71 TRP HD1 2.704 . 3.618 2.926 2.891 2.961 . 0 0 "[ . 1]" 1
246 2 71 TRP HA 2 71 TRP HD1 2.704 . 3.618 2.927 2.890 2.960 . 0 0 "[ . 1]" 1
247 1 57 TYR HA 1 57 TYR QD 2.628 . 3.491 2.854 2.750 2.930 . 0 0 "[ . 1]" 1
248 2 57 TYR HA 2 57 TYR QD 2.628 . 3.491 2.853 2.756 2.930 . 0 0 "[ . 1]" 1
249 1 31 PRO HA 1 32 SER H 2.256 . 2.892 2.333 2.163 2.638 . 0 0 "[ . 1]" 1
250 2 31 PRO HA 2 32 SER H 2.256 . 2.892 2.333 2.156 2.637 . 0 0 "[ . 1]" 1
251 1 71 TRP H 1 71 TRP HA 2.578 . 3.409 2.819 2.811 2.828 . 0 0 "[ . 1]" 1
252 2 71 TRP H 2 71 TRP HA 2.578 . 3.409 2.819 2.811 2.828 . 0 0 "[ . 1]" 1
253 1 42 PHE HA 1 45 ASP H 2.878 . 3.913 3.694 3.618 3.797 . 0 0 "[ . 1]" 1
254 2 42 PHE HA 2 45 ASP H 2.878 . 3.913 3.696 3.622 3.795 . 0 0 "[ . 1]" 1
255 1 73 SER HB2 1 74 SER H 2.851 . 3.867 3.996 3.323 4.287 0.420 5 0 "[ . 1]" 1
256 2 73 SER HB2 2 74 SER H 2.851 . 3.867 4.002 3.329 4.290 0.423 4 0 "[ . 1]" 1
257 1 49 PHE HA 1 52 GLN H 2.992 . 4.111 3.409 3.314 3.495 . 0 0 "[ . 1]" 1
258 2 49 PHE HA 2 52 GLN H 2.992 . 4.111 3.410 3.314 3.494 . 0 0 "[ . 1]" 1
259 1 39 THR HA 1 40 GLU H 2.242 . 2.870 2.223 2.158 2.310 . 0 0 "[ . 1]" 1
260 2 39 THR HA 2 40 GLU H 2.242 . 2.870 2.224 2.160 2.314 . 0 0 "[ . 1]" 1
261 1 39 THR HA 1 41 ALA H 2.968 . 4.069 3.966 3.852 4.127 0.058 8 0 "[ . 1]" 1
262 2 39 THR HA 2 41 ALA H 2.968 . 4.069 3.967 3.857 4.122 0.053 8 0 "[ . 1]" 1
263 1 51 GLU H 1 51 GLU HA 2.534 . 3.337 2.807 2.796 2.815 . 0 0 "[ . 1]" 1
264 2 51 GLU H 2 51 GLU HA 2.534 . 3.337 2.807 2.795 2.816 . 0 0 "[ . 1]" 1
265 1 51 GLU HA 1 55 LYS H 3.049 . 4.211 3.553 3.363 3.807 . 0 0 "[ . 1]" 1
266 2 51 GLU HA 2 55 LYS H 3.049 . 4.211 3.551 3.360 3.813 . 0 0 "[ . 1]" 1
267 1 51 GLU HA 1 52 GLN H 3.008 . 4.139 3.553 3.542 3.565 . 0 0 "[ . 1]" 1
268 2 51 GLU HA 2 52 GLN H 3.008 . 4.139 3.553 3.544 3.566 . 0 0 "[ . 1]" 1
269 1 51 GLU HA 1 56 ASP H 2.886 . 3.927 2.787 2.680 2.907 . 0 0 "[ . 1]" 1
270 2 51 GLU HA 2 56 ASP H 2.886 . 3.927 2.788 2.677 2.909 . 0 0 "[ . 1]" 1
271 1 72 ARG H 1 72 ARG HA 2.465 . 3.225 2.803 2.783 2.812 . 0 0 "[ . 1]" 1
272 2 72 ARG H 2 72 ARG HA 2.465 . 3.225 2.803 2.782 2.813 . 0 0 "[ . 1]" 1
273 1 72 ARG HA 1 73 SER H 2.948 . 4.034 3.536 3.520 3.557 . 0 0 "[ . 1]" 1
274 2 72 ARG HA 2 73 SER H 2.948 . 4.034 3.536 3.522 3.555 . 0 0 "[ . 1]" 1
275 1 72 ARG HA 1 75 PHE QD 2.977 . 4.085 2.309 2.145 2.455 . 0 0 "[ . 1]" 1
276 2 72 ARG HA 2 75 PHE QD 2.977 . 4.085 2.310 2.145 2.457 . 0 0 "[ . 1]" 1
277 1 72 ARG HA 1 75 PHE QE 2.951 . 4.039 3.130 2.779 3.416 . 0 0 "[ . 1]" 1
278 2 72 ARG HA 2 75 PHE QE 2.951 . 4.039 3.133 2.786 3.419 . 0 0 "[ . 1]" 1
279 1 66 LEU HA 1 67 PHE H 2.838 . 3.845 3.533 3.525 3.538 . 0 0 "[ . 1]" 1
280 2 66 LEU HA 2 67 PHE H 2.838 . 3.845 3.532 3.526 3.539 . 0 0 "[ . 1]" 1
281 1 67 PHE H 1 67 PHE HA 2.900 . 3.951 2.823 2.813 2.831 . 0 0 "[ . 1]" 1
282 2 67 PHE H 2 67 PHE HA 2.900 . 3.951 2.823 2.814 2.831 . 0 0 "[ . 1]" 1
283 1 63 LEU HA 1 67 PHE H 3.092 . 4.287 3.547 3.413 3.715 . 0 0 "[ . 1]" 1
284 2 63 LEU HA 2 67 PHE H 3.092 . 4.287 3.547 3.414 3.714 . 0 0 "[ . 1]" 1
285 1 38 ALA HA 1 39 THR H 2.910 . 3.969 3.131 3.124 3.140 . 0 0 "[ . 1]" 1
286 2 38 ALA HA 2 39 THR H 2.910 . 3.969 3.131 3.125 3.141 . 0 0 "[ . 1]" 1
287 1 38 ALA HA 1 71 TRP HZ2 2.926 . 3.996 3.082 2.740 3.282 . 0 0 "[ . 1]" 1
288 2 38 ALA HA 2 71 TRP HZ2 2.926 . 3.996 3.082 2.734 3.282 . 0 0 "[ . 1]" 1
289 1 38 ALA HA 1 43 TRP HE1 2.879 . 3.915 3.257 3.221 3.288 . 0 0 "[ . 1]" 1
290 2 38 ALA HA 2 43 TRP HE1 2.879 . 3.915 3.257 3.219 3.289 . 0 0 "[ . 1]" 1
291 1 68 LYS HE3 1 71 TRP HZ3 2.818 . 3.810 3.252 2.874 3.494 . 0 0 "[ . 1]" 1
292 2 68 LYS HE3 2 71 TRP HZ3 2.818 . 3.810 3.252 2.872 3.499 . 0 0 "[ . 1]" 1
293 1 68 LYS HE2 1 71 TRP HZ3 2.822 . 3.817 3.231 2.967 3.579 . 0 0 "[ . 1]" 1
294 2 68 LYS HE2 2 71 TRP HZ3 2.822 . 3.817 3.228 2.966 3.580 . 0 0 "[ . 1]" 1
295 1 43 TRP HD1 1 68 LYS HE3 3.029 . 4.176 3.102 2.960 3.331 . 0 0 "[ . 1]" 1
296 2 43 TRP HD1 2 68 LYS HE3 3.029 . 4.176 3.100 2.956 3.327 . 0 0 "[ . 1]" 1
297 1 68 LYS HE2 1 71 TRP HE3 3.109 . 4.318 4.052 3.753 4.268 . 0 0 "[ . 1]" 1
298 2 68 LYS HE2 2 71 TRP HE3 3.109 . 4.318 4.048 3.756 4.262 . 0 0 "[ . 1]" 1
299 1 58 ASP HB3 1 59 GLU H 2.746 . 3.689 2.901 2.417 3.367 . 0 0 "[ . 1]" 1
300 2 58 ASP HB3 2 59 GLU H 2.746 . 3.689 2.902 2.418 3.376 . 0 0 "[ . 1]" 1
301 1 45 ASP H 1 45 ASP HB3 3.077 . 4.260 3.497 2.820 3.590 . 0 0 "[ . 1]" 1
302 2 45 ASP H 2 45 ASP HB3 3.077 . 4.260 3.497 2.821 3.590 . 0 0 "[ . 1]" 1
303 1 49 PHE HB3 1 49 PHE QD 2.729 . 3.660 2.309 2.283 2.347 . 0 0 "[ . 1]" 1
304 2 49 PHE HB3 2 49 PHE QD 2.729 . 3.660 2.309 2.284 2.350 . 0 0 "[ . 1]" 1
305 1 49 PHE HB2 1 49 PHE QD 2.758 . 3.709 2.491 2.425 2.550 . 0 0 "[ . 1]" 1
306 2 49 PHE HB2 2 49 PHE QD 2.758 . 3.709 2.490 2.425 2.548 . 0 0 "[ . 1]" 1
307 1 69 GLU H 1 69 GLU HG2 2.226 . 2.846 2.824 2.317 3.445 0.599 9 4 "[ .* -+*]" 1
308 2 69 GLU H 2 69 GLU HG2 2.226 . 2.846 2.822 2.315 3.451 0.605 9 4 "[ .* -+*]" 1
309 1 43 TRP HE3 1 64 ARG HD2 3.130 . 4.355 4.305 4.050 5.003 0.648 2 1 "[ + . 1]" 1
310 2 43 TRP HE3 2 64 ARG HD2 3.130 . 4.355 4.306 4.050 5.004 0.649 2 1 "[ + . 1]" 1
311 1 72 ARG HD2 1 75 PHE QE 3.389 . 4.825 3.815 2.704 5.258 0.433 3 0 "[ . 1]" 1
312 2 72 ARG HD2 2 75 PHE QE 3.389 . 4.825 3.817 2.708 5.261 0.436 3 0 "[ . 1]" 1
313 1 71 TRP HZ3 1 72 ARG HD2 3.100 . 4.301 3.544 2.863 4.543 0.242 7 0 "[ . 1]" 1
314 2 71 TRP HZ3 2 72 ARG HD2 3.100 . 4.301 3.545 2.859 4.545 0.244 7 0 "[ . 1]" 1
315 1 64 ARG H 1 64 ARG HD3 3.294 . 4.650 4.783 4.721 4.833 0.183 5 0 "[ . 1]" 1
316 2 64 ARG H 2 64 ARG HD3 3.294 . 4.650 4.783 4.723 4.830 0.180 5 0 "[ . 1]" 1
317 1 47 GLN H 1 64 ARG HD3 3.391 . 4.828 4.230 3.860 5.453 0.625 2 1 "[ + . 1]" 1
318 2 47 GLN H 2 64 ARG HD3 3.391 . 4.828 4.230 3.860 5.469 0.641 2 1 "[ + . 1]" 1
319 1 43 TRP HE1 1 68 LYS HE2 3.144 . 4.379 4.335 4.135 4.524 0.145 6 0 "[ . 1]" 1
320 2 43 TRP HE1 2 68 LYS HE2 3.144 . 4.379 4.332 4.129 4.517 0.138 6 0 "[ . 1]" 1
321 1 43 TRP HE1 1 68 LYS HE3 3.045 . 4.204 2.860 2.674 3.146 . 0 0 "[ . 1]" 1
322 2 43 TRP HE1 2 68 LYS HE3 3.045 . 4.204 2.859 2.670 3.140 . 0 0 "[ . 1]" 1
323 1 57 TYR HB3 1 57 TYR QE 3.422 . 4.886 4.401 4.389 4.414 . 0 0 "[ . 1]" 1
324 2 57 TYR HB3 2 57 TYR QE 3.422 . 4.886 4.401 4.388 4.416 . 0 0 "[ . 1]" 1
325 1 60 ALA H 1 61 ASN HB2 3.463 . 4.962 4.795 4.618 4.855 . 0 0 "[ . 1]" 1
326 2 60 ALA H 2 61 ASN HB2 3.463 . 4.962 4.798 4.618 4.860 . 0 0 "[ . 1]" 1
327 1 61 ASN HB3 1 61 ASN HD21 2.996 . 4.118 3.453 2.930 3.520 . 0 0 "[ . 1]" 1
328 2 61 ASN HB3 2 61 ASN HD21 2.996 . 4.118 3.454 2.927 3.521 . 0 0 "[ . 1]" 1
329 1 60 ALA H 1 61 ASN HB3 3.380 . 4.808 4.817 4.731 5.132 0.324 3 0 "[ . 1]" 1
330 2 60 ALA H 2 61 ASN HB3 3.380 . 4.808 4.815 4.722 5.135 0.327 3 0 "[ . 1]" 1
331 1 47 GLN HE22 1 61 ASN HB2 3.371 . 4.791 2.635 2.358 2.866 . 0 0 "[ . 1]" 1
332 2 47 GLN HE22 2 61 ASN HB2 3.371 . 4.791 2.633 2.362 2.857 . 0 0 "[ . 1]" 1
333 1 47 GLN HE22 1 61 ASN HB3 3.239 . 4.550 4.303 4.032 4.580 0.030 9 0 "[ . 1]" 1
334 2 47 GLN HE22 2 61 ASN HB3 3.239 . 4.550 4.302 4.035 4.572 0.022 9 0 "[ . 1]" 1
335 1 45 ASP HB3 2 49 PHE HZ 3.309 . 4.677 2.248 1.945 2.707 . 0 0 "[ . 1]" 1
336 1 49 PHE HZ 2 45 ASP HB3 3.309 . 4.677 2.248 1.916 2.694 0.025 6 0 "[ . 1]" 1
337 1 45 ASP HB2 2 49 PHE HZ 3.142 . 4.376 2.356 2.100 3.428 . 0 0 "[ . 1]" 1
338 1 49 PHE HZ 2 45 ASP HB2 3.142 . 4.376 2.354 2.068 3.398 . 0 0 "[ . 1]" 1
339 1 43 TRP HZ3 1 67 PHE HB2 3.124 . 4.344 2.350 2.298 2.432 . 0 0 "[ . 1]" 1
340 2 43 TRP HZ3 2 67 PHE HB2 3.124 . 4.344 2.350 2.299 2.433 . 0 0 "[ . 1]" 1
341 1 67 PHE HB2 1 67 PHE QD 2.831 . 3.833 2.530 2.491 2.563 . 0 0 "[ . 1]" 1
342 2 67 PHE HB2 2 67 PHE QD 2.831 . 3.833 2.531 2.494 2.562 . 0 0 "[ . 1]" 1
343 1 64 ARG HA 1 67 PHE HB2 3.285 . 4.634 3.130 3.071 3.188 . 0 0 "[ . 1]" 1
344 2 64 ARG HA 2 67 PHE HB2 3.285 . 4.634 3.131 3.073 3.190 . 0 0 "[ . 1]" 1
345 1 52 GLN HE21 1 52 GLN HG2 2.965 . 4.064 2.365 2.235 3.453 . 0 0 "[ . 1]" 1
346 2 52 GLN HE21 2 52 GLN HG2 2.965 . 4.064 2.364 2.224 3.450 . 0 0 "[ . 1]" 1
347 1 52 GLN HG3 1 53 ARG H 3.211 . 4.500 4.231 4.114 4.394 . 0 0 "[ . 1]" 1
348 2 52 GLN HG3 2 53 ARG H 3.211 . 4.500 4.232 4.119 4.397 . 0 0 "[ . 1]" 1
349 1 47 GLN HE21 1 47 GLN HG3 2.758 . 3.709 2.582 2.241 2.936 . 0 0 "[ . 1]" 1
350 2 47 GLN HE21 2 47 GLN HG3 2.758 . 3.709 2.582 2.241 2.933 . 0 0 "[ . 1]" 1
351 1 31 PRO QB 1 36 VAL H 2.827 . 3.826 3.006 2.551 3.927 0.101 1 0 "[ . 1]" 1
352 2 31 PRO QB 2 36 VAL H 2.827 . 3.826 3.007 2.551 3.926 0.100 1 0 "[ . 1]" 1
353 1 47 GLN HE21 1 47 GLN HG2 2.837 . 3.843 2.527 2.165 2.877 . 0 0 "[ . 1]" 1
354 2 47 GLN HE21 2 47 GLN HG2 2.837 . 3.843 2.531 2.174 2.884 . 0 0 "[ . 1]" 1
355 1 36 VAL HB 1 37 VAL H 2.827 . 3.826 4.044 4.016 4.110 0.284 3 0 "[ . 1]" 1
356 2 36 VAL HB 2 37 VAL H 2.827 . 3.826 4.044 4.016 4.107 0.281 3 0 "[ . 1]" 1
357 1 72 ARG HB3 1 73 SER H 2.965 . 4.064 3.607 3.515 3.713 . 0 0 "[ . 1]" 1
358 2 72 ARG HB3 2 73 SER H 2.965 . 4.064 3.604 3.515 3.703 . 0 0 "[ . 1]" 1
359 1 51 GLU HB3 1 52 GLN H 3.042 . 4.199 3.449 3.382 3.514 . 0 0 "[ . 1]" 1
360 2 51 GLU HB3 2 52 GLN H 3.042 . 4.199 3.449 3.397 3.519 . 0 0 "[ . 1]" 1
361 1 72 ARG H 1 72 ARG HB3 2.695 . 3.603 3.580 3.553 3.608 0.005 4 0 "[ . 1]" 1
362 2 72 ARG H 2 72 ARG HB3 2.695 . 3.603 3.579 3.552 3.604 0.001 4 0 "[ . 1]" 1
363 1 37 VAL H 1 37 VAL HB 2.548 . 3.360 2.600 2.544 2.651 . 0 0 "[ . 1]" 1
364 2 37 VAL H 2 37 VAL HB 2.548 . 3.360 2.601 2.545 2.654 . 0 0 "[ . 1]" 1
365 1 37 VAL HB 1 38 ALA H 2.975 . 4.082 3.073 3.005 3.110 . 0 0 "[ . 1]" 1
366 2 37 VAL HB 2 38 ALA H 2.975 . 4.082 3.074 3.001 3.111 . 0 0 "[ . 1]" 1
367 1 62 LYS H 1 62 LYS QD 2.859 . 3.881 3.664 3.464 4.172 0.291 1 0 "[ . 1]" 1
368 2 62 LYS H 2 62 LYS QD 2.859 . 3.881 3.663 3.463 4.170 0.289 1 0 "[ . 1]" 1
369 1 55 LYS H 1 55 LYS QB 2.999 . 3.888 3.268 2.891 3.359 . 0 0 "[ . 1]" 1
370 2 55 LYS H 2 55 LYS QB 2.999 . 3.888 3.268 2.891 3.359 . 0 0 "[ . 1]" 1
371 1 34 GLU H 1 34 GLU HB3 2.990 . 4.108 3.203 2.495 3.574 . 0 0 "[ . 1]" 1
372 2 34 GLU H 2 34 GLU HB3 2.990 . 4.108 3.203 2.490 3.569 . 0 0 "[ . 1]" 1
373 1 72 ARG H 1 72 ARG HG2 2.989 . 4.106 2.427 2.311 2.628 . 0 0 "[ . 1]" 1
374 2 72 ARG H 2 72 ARG HG2 2.989 . 4.106 2.426 2.316 2.626 . 0 0 "[ . 1]" 1
375 1 72 ARG H 1 72 ARG HG3 2.924 . 3.993 3.754 3.671 3.817 . 0 0 "[ . 1]" 1
376 2 72 ARG H 2 72 ARG HG3 2.924 . 3.993 3.752 3.673 3.820 . 0 0 "[ . 1]" 1
377 1 71 TRP HE3 1 72 ARG HG3 3.197 . 4.475 4.176 3.996 4.408 . 0 0 "[ . 1]" 1
378 2 71 TRP HE3 2 72 ARG HG3 3.197 . 4.475 4.176 3.997 4.409 . 0 0 "[ . 1]" 1
379 1 62 LYS H 1 62 LYS QG 3.037 . 3.862 2.318 2.172 2.445 . 0 0 "[ . 1]" 1
380 2 62 LYS H 2 62 LYS QG 3.037 . 3.862 2.315 2.171 2.450 . 0 0 "[ . 1]" 1
381 1 46 LEU MD1 1 47 GLN H 3.031 . 4.179 3.383 3.295 3.466 . 0 0 "[ . 1]" 1
382 2 46 LEU MD1 2 47 GLN H 3.031 . 4.179 3.382 3.291 3.466 . 0 0 "[ . 1]" 1
383 1 71 TRP HZ3 1 72 ARG HG3 3.297 . 4.655 4.614 4.414 4.998 0.343 7 0 "[ . 1]" 1
384 2 71 TRP HZ3 2 72 ARG HG3 3.297 . 4.655 4.615 4.417 4.998 0.343 7 0 "[ . 1]" 1
385 1 68 LYS HG3 1 69 GLU H 3.285 . 4.634 4.927 4.876 5.013 0.379 9 0 "[ . 1]" 1
386 2 68 LYS HG3 2 69 GLU H 3.285 . 4.634 4.925 4.880 5.016 0.382 9 0 "[ . 1]" 1
387 1 50 LEU MD2 1 67 PHE HZ 3.450 . 4.938 4.252 4.141 4.359 . 0 0 "[ . 1]" 1
388 2 50 LEU MD2 2 67 PHE HZ 3.450 . 4.938 4.251 4.139 4.355 . 0 0 "[ . 1]" 1
389 1 63 LEU QD 1 64 ARG H 3.504 . 5.039 4.160 4.122 4.185 . 0 0 "[ . 1]" 1
390 2 63 LEU QD 2 64 ARG H 3.504 . 5.039 4.160 4.125 4.183 . 0 0 "[ . 1]" 1
391 1 63 LEU QD 2 43 TRP HZ2 3.408 . 4.860 4.254 4.133 4.387 . 0 0 "[ . 1]" 1
392 1 43 TRP HZ2 2 63 LEU QD 3.408 . 4.860 4.256 4.155 4.396 . 0 0 "[ . 1]" 1
393 1 63 LEU QD 2 71 TRP HE1 3.441 . 4.601 3.521 3.326 3.675 . 0 0 "[ . 1]" 1
394 1 71 TRP HE1 2 63 LEU QD 3.441 . 4.601 3.521 3.318 3.676 . 0 0 "[ . 1]" 1
395 1 42 PHE QD 1 46 LEU HG 3.332 . 4.719 4.373 4.248 4.562 . 0 0 "[ . 1]" 1
396 2 42 PHE QD 2 46 LEU HG 3.332 . 4.719 4.373 4.248 4.562 . 0 0 "[ . 1]" 1
397 1 49 PHE QD 1 50 LEU HG 3.308 . 4.676 4.491 4.380 4.556 . 0 0 "[ . 1]" 1
398 2 49 PHE QD 2 50 LEU HG 3.308 . 4.676 4.491 4.380 4.557 . 0 0 "[ . 1]" 1
399 1 50 LEU MD1 1 51 GLU H 3.398 . 4.841 4.293 4.271 4.333 . 0 0 "[ . 1]" 1
400 2 50 LEU MD1 2 51 GLU H 3.398 . 4.841 4.293 4.271 4.333 . 0 0 "[ . 1]" 1
401 1 63 LEU QD 1 67 PHE H 3.215 . 4.507 4.311 4.202 4.427 . 0 0 "[ . 1]" 1
402 2 63 LEU QD 2 67 PHE H 3.215 . 4.507 4.311 4.201 4.427 . 0 0 "[ . 1]" 1
403 1 53 ARG H 1 54 LEU QD 3.395 . 4.836 3.648 3.487 3.762 . 0 0 "[ . 1]" 1
404 2 53 ARG H 2 54 LEU QD 3.395 . 4.836 3.648 3.489 3.767 . 0 0 "[ . 1]" 1
405 1 36 VAL MG2 1 38 ALA H 3.373 . 4.795 4.712 4.641 4.815 0.020 5 0 "[ . 1]" 1
406 2 36 VAL MG2 2 38 ALA H 3.373 . 4.795 4.710 4.643 4.820 0.025 5 0 "[ . 1]" 1
407 1 36 VAL MG2 1 39 THR H 3.292 . 4.646 4.370 4.227 4.450 . 0 0 "[ . 1]" 1
408 2 36 VAL MG2 2 39 THR H 3.292 . 4.646 4.370 4.227 4.451 . 0 0 "[ . 1]" 1
409 1 36 VAL MG2 1 42 PHE H 3.113 . 4.324 4.207 3.915 4.354 0.030 6 0 "[ . 1]" 1
410 2 36 VAL MG2 2 42 PHE H 3.113 . 4.324 4.208 3.917 4.352 0.028 6 0 "[ . 1]" 1
411 1 56 ASP H 1 60 ALA MB 3.154 . 4.398 3.758 3.616 3.850 . 0 0 "[ . 1]" 1
412 2 56 ASP H 2 60 ALA MB 3.154 . 4.398 3.759 3.617 3.852 . 0 0 "[ . 1]" 1
413 1 70 ALA MB 1 73 SER H 3.268 . 4.603 4.457 4.405 4.529 . 0 0 "[ . 1]" 1
414 2 70 ALA MB 2 73 SER H 3.268 . 4.603 4.458 4.407 4.530 . 0 0 "[ . 1]" 1
415 1 70 ALA MB 2 67 PHE QE 2.937 . 4.015 3.095 2.947 3.271 . 0 0 "[ . 1]" 1
416 1 67 PHE QE 2 70 ALA MB 2.937 . 4.015 3.096 2.955 3.260 . 0 0 "[ . 1]" 1
417 1 70 ALA MB 1 72 ARG H 3.258 . 4.585 4.447 4.386 4.502 . 0 0 "[ . 1]" 1
418 2 70 ALA MB 2 72 ARG H 3.258 . 4.585 4.448 4.386 4.502 . 0 0 "[ . 1]" 1
419 1 42 PHE QD 1 46 LEU MD2 3.206 . 4.491 4.459 4.343 4.571 0.080 3 0 "[ . 1]" 1
420 2 42 PHE QD 2 46 LEU MD2 3.206 . 4.491 4.459 4.341 4.571 0.080 3 0 "[ . 1]" 1
421 1 37 VAL HB 1 71 TRP HZ2 3.355 . 4.762 3.351 3.185 3.608 . 0 0 "[ . 1]" 1
422 2 37 VAL HB 2 71 TRP HZ2 3.355 . 4.762 3.350 3.184 3.603 . 0 0 "[ . 1]" 1
423 1 71 TRP HA 1 71 TRP HB3 2.966 . 4.065 3.021 3.016 3.024 . 0 0 "[ . 1]" 1
424 2 71 TRP HA 2 71 TRP HB3 2.966 . 4.065 3.021 3.016 3.025 . 0 0 "[ . 1]" 1
425 1 68 LYS HG3 1 71 TRP HB3 3.230 . 4.534 3.793 3.654 3.989 . 0 0 "[ . 1]" 1
426 2 68 LYS HG3 2 71 TRP HB3 3.230 . 4.534 3.793 3.656 3.989 . 0 0 "[ . 1]" 1
427 1 72 ARG HA 1 72 ARG HB2 2.681 . 3.580 3.011 2.998 3.020 . 0 0 "[ . 1]" 1
428 2 72 ARG HA 2 72 ARG HB2 2.681 . 3.580 3.010 2.997 3.017 . 0 0 "[ . 1]" 1
429 1 72 ARG HB3 1 72 ARG HD2 2.858 . 3.879 2.856 2.417 3.253 . 0 0 "[ . 1]" 1
430 2 72 ARG HB3 2 72 ARG HD2 2.858 . 3.879 2.857 2.417 3.256 . 0 0 "[ . 1]" 1
431 1 72 ARG HB2 1 72 ARG HD2 2.872 . 3.903 3.691 3.646 3.726 . 0 0 "[ . 1]" 1
432 2 72 ARG HB2 2 72 ARG HD2 2.872 . 3.903 3.690 3.646 3.730 . 0 0 "[ . 1]" 1
433 1 72 ARG HA 1 72 ARG HG2 2.759 . 3.710 2.971 2.791 3.153 . 0 0 "[ . 1]" 1
434 2 72 ARG HA 2 72 ARG HG2 2.759 . 3.710 2.971 2.789 3.152 . 0 0 "[ . 1]" 1
435 1 43 TRP HZ3 1 67 PHE HB3 3.058 . 4.227 2.643 2.522 2.808 . 0 0 "[ . 1]" 1
436 2 43 TRP HZ3 2 67 PHE HB3 3.058 . 4.227 2.643 2.521 2.807 . 0 0 "[ . 1]" 1
437 1 67 PHE HB3 2 67 PHE QE 3.065 . 4.240 3.252 3.102 3.332 . 0 0 "[ . 1]" 1
438 1 67 PHE QE 2 67 PHE HB3 3.065 . 4.240 3.251 3.089 3.333 . 0 0 "[ . 1]" 1
439 1 59 GLU HG3 1 60 ALA H 3.275 . 4.616 4.307 4.105 4.516 . 0 0 "[ . 1]" 1
440 2 59 GLU HG3 2 60 ALA H 3.275 . 4.616 4.304 4.099 4.519 . 0 0 "[ . 1]" 1
441 1 54 LEU H 1 54 LEU HB3 3.148 . 4.387 3.556 3.549 3.568 . 0 0 "[ . 1]" 1
442 2 54 LEU H 2 54 LEU HB3 3.148 . 4.387 3.556 3.549 3.567 . 0 0 "[ . 1]" 1
443 1 49 PHE HZ 1 53 ARG HD3 3.081 . 4.268 4.027 3.325 5.260 0.992 1 3 "[+- . * 1]" 1
444 2 49 PHE HZ 2 53 ARG HD3 3.081 . 4.268 4.028 3.320 5.260 0.992 1 3 "[+- . * 1]" 1
445 1 66 LEU HB3 1 67 PHE QD 3.125 . 4.346 3.256 3.208 3.331 . 0 0 "[ . 1]" 1
446 2 66 LEU HB3 2 67 PHE QD 3.125 . 4.346 3.257 3.207 3.330 . 0 0 "[ . 1]" 1
447 1 68 LYS HE2 1 68 LYS HG3 2.494 . 3.271 2.931 2.849 2.959 . 0 0 "[ . 1]" 1
448 2 68 LYS HE2 2 68 LYS HG3 2.494 . 3.271 2.928 2.853 2.958 . 0 0 "[ . 1]" 1
449 1 68 LYS HD3 1 68 LYS HE2 2.337 . 3.019 2.473 2.451 2.499 . 0 0 "[ . 1]" 1
450 2 68 LYS HD3 2 68 LYS HE2 2.337 . 3.019 2.472 2.453 2.498 . 0 0 "[ . 1]" 1
451 1 68 LYS HD2 1 68 LYS HE2 2.452 . 3.204 3.011 3.008 3.013 . 0 0 "[ . 1]" 1
452 2 68 LYS HD2 2 68 LYS HE2 2.452 . 3.204 3.010 3.008 3.012 . 0 0 "[ . 1]" 1
453 1 68 LYS HE2 1 68 LYS HG2 2.622 . 3.482 2.499 2.457 2.534 . 0 0 "[ . 1]" 1
454 2 68 LYS HE2 2 68 LYS HG2 2.622 . 3.482 2.497 2.458 2.532 . 0 0 "[ . 1]" 1
455 1 68 LYS HE3 1 68 LYS HG3 2.576 . 3.405 2.488 2.449 2.519 . 0 0 "[ . 1]" 1
456 2 68 LYS HE3 2 68 LYS HG3 2.576 . 3.405 2.488 2.456 2.520 . 0 0 "[ . 1]" 1
457 1 68 LYS HD3 1 68 LYS HE3 2.376 . 3.082 3.010 3.006 3.013 . 0 0 "[ . 1]" 1
458 2 68 LYS HD3 2 68 LYS HE3 2.376 . 3.082 3.010 3.006 3.012 . 0 0 "[ . 1]" 1
459 1 68 LYS HD2 1 68 LYS HE3 2.332 . 3.012 2.413 2.388 2.433 . 0 0 "[ . 1]" 1
460 2 68 LYS HD2 2 68 LYS HE3 2.332 . 3.012 2.412 2.388 2.433 . 0 0 "[ . 1]" 1
461 1 68 LYS HE3 1 68 LYS HG2 2.604 . 3.452 3.161 3.133 3.213 . 0 0 "[ . 1]" 1
462 2 68 LYS HE3 2 68 LYS HG2 2.604 . 3.452 3.160 3.129 3.213 . 0 0 "[ . 1]" 1
463 1 51 GLU HG2 1 60 ALA MB 2.897 . 3.946 2.533 2.370 2.740 . 0 0 "[ . 1]" 1
464 2 51 GLU HG2 2 60 ALA MB 2.897 . 3.946 2.536 2.382 2.749 . 0 0 "[ . 1]" 1
465 1 65 VAL MG1 1 69 GLU HG2 2.349 . 3.039 2.961 2.506 3.500 0.461 6 0 "[ . 1]" 1
466 2 65 VAL MG1 2 69 GLU HG2 2.349 . 3.039 2.962 2.509 3.503 0.464 6 0 "[ . 1]" 1
467 1 63 LEU HA 1 63 LEU HB3 2.626 . 3.488 2.549 2.512 2.562 . 0 0 "[ . 1]" 1
468 2 63 LEU HA 2 63 LEU HB3 2.626 . 3.488 2.549 2.512 2.562 . 0 0 "[ . 1]" 1
469 1 50 LEU MD2 1 63 LEU HB2 2.785 . 3.755 1.986 1.962 2.039 . 0 0 "[ . 1]" 1
470 2 50 LEU MD2 2 63 LEU HB2 2.785 . 3.755 1.986 1.961 2.038 . 0 0 "[ . 1]" 1
471 1 46 LEU HB2 1 46 LEU HG 2.966 . 4.065 2.363 2.342 2.382 . 0 0 "[ . 1]" 1
472 2 46 LEU HB2 2 46 LEU HG 2.966 . 4.065 2.363 2.342 2.382 . 0 0 "[ . 1]" 1
473 1 43 TRP HA 1 46 LEU HB2 3.019 . 4.158 2.588 2.529 2.679 . 0 0 "[ . 1]" 1
474 2 43 TRP HA 2 46 LEU HB2 3.019 . 4.158 2.587 2.527 2.676 . 0 0 "[ . 1]" 1
475 1 46 LEU HA 1 46 LEU HB3 2.939 . 4.018 3.019 3.014 3.023 . 0 0 "[ . 1]" 1
476 2 46 LEU HA 2 46 LEU HB3 2.939 . 4.018 3.019 3.014 3.023 . 0 0 "[ . 1]" 1
477 1 43 TRP HA 1 46 LEU HB3 3.078 . 4.262 2.276 2.214 2.390 . 0 0 "[ . 1]" 1
478 2 43 TRP HA 2 46 LEU HB3 3.078 . 4.262 2.276 2.215 2.391 . 0 0 "[ . 1]" 1
479 1 54 LEU QD 1 56 ASP HB3 3.441 . 4.921 3.588 3.405 3.854 . 0 0 "[ . 1]" 1
480 2 54 LEU QD 2 56 ASP HB3 3.441 . 4.921 3.588 3.416 3.854 . 0 0 "[ . 1]" 1
481 1 54 LEU HB2 1 54 LEU QD 2.901 . 3.035 2.107 2.090 2.115 . 0 0 "[ . 1]" 1
482 2 54 LEU HB2 2 54 LEU QD 2.901 . 3.035 2.107 2.093 2.115 . 0 0 "[ . 1]" 1
483 1 54 LEU HB3 1 54 LEU QD 3.119 . 3.935 2.325 2.275 2.409 . 0 0 "[ . 1]" 1
484 2 54 LEU HB3 2 54 LEU QD 3.119 . 3.935 2.325 2.275 2.412 . 0 0 "[ . 1]" 1
485 1 63 LEU QD 1 66 LEU HB3 2.950 . 4.038 3.035 2.953 3.107 . 0 0 "[ . 1]" 1
486 2 63 LEU QD 2 66 LEU HB3 2.950 . 4.038 3.034 2.952 3.105 . 0 0 "[ . 1]" 1
487 1 47 GLN HB3 1 64 ARG HD3 2.979 . 4.088 3.152 2.745 4.491 0.403 2 0 "[ . 1]" 1
488 2 47 GLN HB3 2 64 ARG HD3 2.979 . 4.088 3.153 2.747 4.513 0.425 2 0 "[ . 1]" 1
489 1 47 GLN HB3 1 64 ARG HD2 2.937 . 4.015 3.571 2.897 3.859 . 0 0 "[ . 1]" 1
490 2 47 GLN HB3 2 64 ARG HD2 2.937 . 4.015 3.571 2.912 3.864 . 0 0 "[ . 1]" 1
491 1 64 ARG HD2 1 64 ARG HG2 2.527 . 3.325 2.602 2.532 3.011 . 0 0 "[ . 1]" 1
492 2 64 ARG HD2 2 64 ARG HG2 2.527 . 3.325 2.602 2.532 3.009 . 0 0 "[ . 1]" 1
493 1 72 ARG HD2 1 72 ARG HG2 2.148 . 2.725 2.655 2.380 3.016 0.291 9 0 "[ . 1]" 1
494 2 72 ARG HD2 2 72 ARG HG2 2.148 . 2.725 2.655 2.382 3.015 0.290 10 0 "[ . 1]" 1
495 1 53 ARG QB 1 53 ARG HD3 2.764 . 3.719 2.483 2.318 2.852 . 0 0 "[ . 1]" 1
496 2 53 ARG QB 2 53 ARG HD3 2.764 . 3.719 2.483 2.318 2.851 . 0 0 "[ . 1]" 1
497 1 55 LYS QE 1 55 LYS QG 2.360 . 3.056 2.239 2.125 2.360 . 0 0 "[ . 1]" 1
498 2 55 LYS QE 2 55 LYS QG 2.360 . 3.056 2.239 2.127 2.359 . 0 0 "[ . 1]" 1
499 1 62 LYS QE 1 62 LYS QG 2.448 . 3.197 2.580 2.139 2.854 . 0 0 "[ . 1]" 1
500 2 62 LYS QE 2 62 LYS QG 2.448 . 3.197 2.580 2.135 2.854 . 0 0 "[ . 1]" 1
501 1 62 LYS QD 1 62 LYS QE 2.038 . 2.557 2.025 1.995 2.085 . 0 0 "[ . 1]" 1
502 2 62 LYS QD 2 62 LYS QE 2.038 . 2.557 2.026 1.995 2.086 . 0 0 "[ . 1]" 1
503 1 53 ARG QB 1 53 ARG HD2 2.896 . 3.944 2.911 2.500 3.197 . 0 0 "[ . 1]" 1
504 2 53 ARG QB 2 53 ARG HD2 2.896 . 3.944 2.912 2.500 3.195 . 0 0 "[ . 1]" 1
505 1 66 LEU HA 1 66 LEU HB3 2.387 . 3.099 3.014 3.011 3.016 . 0 0 "[ . 1]" 1
506 2 66 LEU HA 2 66 LEU HB3 2.387 . 3.099 3.013 3.010 3.016 . 0 0 "[ . 1]" 1
507 1 66 LEU HB3 1 66 LEU HG 2.195 . 2.797 2.471 2.439 2.523 . 0 0 "[ . 1]" 1
508 2 66 LEU HB3 2 66 LEU HG 2.195 . 2.797 2.471 2.439 2.523 . 0 0 "[ . 1]" 1
509 1 38 ALA HA 1 38 ALA MB 2.036 . 2.554 2.127 2.126 2.128 . 0 0 "[ . 1]" 1
510 2 38 ALA HA 2 38 ALA MB 2.036 . 2.554 2.127 2.125 2.128 . 0 0 "[ . 1]" 1
511 1 56 ASP HB3 1 59 GLU HB3 2.916 . 3.979 2.681 2.367 2.932 . 0 0 "[ . 1]" 1
512 2 56 ASP HB3 2 59 GLU HB3 2.916 . 3.979 2.681 2.362 2.932 . 0 0 "[ . 1]" 1
513 1 63 LEU HA 1 66 LEU HB3 2.279 . 2.928 2.266 2.210 2.339 . 0 0 "[ . 1]" 1
514 2 63 LEU HA 2 66 LEU HB3 2.279 . 2.928 2.265 2.210 2.336 . 0 0 "[ . 1]" 1
515 1 63 LEU HA 1 63 LEU HB2 2.482 . 3.252 3.000 2.995 3.008 . 0 0 "[ . 1]" 1
516 2 63 LEU HA 2 63 LEU HB2 2.482 . 3.252 3.000 2.995 3.008 . 0 0 "[ . 1]" 1
517 1 59 GLU HB3 1 60 ALA HA 3.058 . 4.227 4.096 3.923 4.219 . 0 0 "[ . 1]" 1
518 2 59 GLU HB3 2 60 ALA HA 3.058 . 4.227 4.097 3.930 4.222 . 0 0 "[ . 1]" 1
519 1 60 ALA HA 1 63 LEU HB2 2.693 . 3.600 2.864 2.796 2.980 . 0 0 "[ . 1]" 1
520 2 60 ALA HA 2 63 LEU HB2 2.693 . 3.600 2.864 2.799 2.981 . 0 0 "[ . 1]" 1
521 1 50 LEU HB3 1 60 ALA HA 2.654 . 3.535 2.201 2.145 2.355 . 0 0 "[ . 1]" 1
522 2 50 LEU HB3 2 60 ALA HA 2.654 . 3.535 2.200 2.144 2.355 . 0 0 "[ . 1]" 1
523 1 50 LEU MD2 1 60 ALA HA 2.634 . 3.501 2.393 2.162 2.523 . 0 0 "[ . 1]" 1
524 2 50 LEU MD2 2 60 ALA HA 2.634 . 3.501 2.393 2.167 2.522 . 0 0 "[ . 1]" 1
525 1 60 ALA HA 1 63 LEU QD 2.755 . 3.704 3.123 3.023 3.236 . 0 0 "[ . 1]" 1
526 2 60 ALA HA 2 63 LEU QD 2.755 . 3.704 3.122 3.020 3.234 . 0 0 "[ . 1]" 1
527 1 51 GLU HA 1 51 GLU HG3 2.630 . 3.494 3.021 2.892 3.093 . 0 0 "[ . 1]" 1
528 2 51 GLU HA 2 51 GLU HG3 2.630 . 3.494 3.021 2.886 3.091 . 0 0 "[ . 1]" 1
529 1 51 GLU HA 1 51 GLU HB2 2.452 . 3.204 3.016 3.012 3.019 . 0 0 "[ . 1]" 1
530 2 51 GLU HA 2 51 GLU HB2 2.452 . 3.204 3.017 3.013 3.021 . 0 0 "[ . 1]" 1
531 1 51 GLU HA 1 51 GLU HG2 2.518 . 3.311 2.491 2.415 2.545 . 0 0 "[ . 1]" 1
532 2 51 GLU HA 2 51 GLU HG2 2.518 . 3.311 2.493 2.420 2.549 . 0 0 "[ . 1]" 1
533 1 51 GLU HA 1 51 GLU HB3 2.498 . 3.278 2.528 2.512 2.548 . 0 0 "[ . 1]" 1
534 2 51 GLU HA 2 51 GLU HB3 2.498 . 3.278 2.527 2.513 2.548 . 0 0 "[ . 1]" 1
535 1 72 ARG HA 1 72 ARG HB3 2.465 . 3.225 2.537 2.499 2.595 . 0 0 "[ . 1]" 1
536 2 72 ARG HA 2 72 ARG HB3 2.465 . 3.225 2.537 2.499 2.592 . 0 0 "[ . 1]" 1
537 1 72 ARG HA 1 72 ARG HG3 2.707 . 3.623 3.697 3.672 3.726 0.103 7 0 "[ . 1]" 1
538 2 72 ARG HA 2 72 ARG HG3 2.707 . 3.623 3.697 3.667 3.729 0.106 7 0 "[ . 1]" 1
539 1 50 LEU HA 1 50 LEU HG 2.552 . 3.366 2.718 2.646 2.760 . 0 0 "[ . 1]" 1
540 2 50 LEU HA 2 50 LEU HG 2.552 . 3.366 2.717 2.645 2.758 . 0 0 "[ . 1]" 1
541 1 50 LEU HA 1 53 ARG QB 2.628 . 3.492 2.943 2.799 3.161 . 0 0 "[ . 1]" 1
542 2 50 LEU HA 2 53 ARG QB 2.628 . 3.492 2.944 2.798 3.164 . 0 0 "[ . 1]" 1
543 1 50 LEU HA 1 50 LEU MD1 2.193 . 2.794 2.056 2.038 2.087 . 0 0 "[ . 1]" 1
544 2 50 LEU HA 2 50 LEU MD1 2.193 . 2.794 2.055 2.039 2.088 . 0 0 "[ . 1]" 1
545 1 68 LYS HA 1 68 LYS HG2 2.703 . 3.617 3.035 2.962 3.099 . 0 0 "[ . 1]" 1
546 2 68 LYS HA 2 68 LYS HG2 2.703 . 3.617 3.033 2.960 3.098 . 0 0 "[ . 1]" 1
547 1 75 PHE HA 1 75 PHE HB3 2.082 . 2.624 2.471 2.433 2.516 . 0 0 "[ . 1]" 1
548 2 75 PHE HA 2 75 PHE HB3 2.082 . 2.624 2.469 2.434 2.516 . 0 0 "[ . 1]" 1
549 1 65 VAL MG1 1 66 LEU HA 2.728 . 3.659 3.393 3.317 3.465 . 0 0 "[ . 1]" 1
550 2 65 VAL MG1 2 66 LEU HA 2.728 . 3.659 3.395 3.322 3.471 . 0 0 "[ . 1]" 1
551 1 47 GLN HA 1 47 GLN HB3 2.500 . 3.281 3.018 3.015 3.021 . 0 0 "[ . 1]" 1
552 2 47 GLN HA 2 47 GLN HB3 2.500 . 3.281 3.017 3.015 3.022 . 0 0 "[ . 1]" 1
553 1 62 LYS HA 1 65 VAL HB 2.442 . 3.188 3.111 2.955 3.254 0.066 3 0 "[ . 1]" 1
554 2 62 LYS HA 2 65 VAL HB 2.442 . 3.188 3.112 2.960 3.256 0.068 3 0 "[ . 1]" 1
555 1 62 LYS HA 1 62 LYS QG 2.473 . 2.991 2.413 2.371 2.447 . 0 0 "[ . 1]" 1
556 2 62 LYS HA 2 62 LYS QG 2.473 . 2.991 2.412 2.369 2.446 . 0 0 "[ . 1]" 1
557 1 47 GLN HA 1 50 LEU HB2 2.510 . 3.297 2.106 1.997 2.196 . 0 0 "[ . 1]" 1
558 2 47 GLN HA 2 50 LEU HB2 2.510 . 3.297 2.107 1.999 2.200 . 0 0 "[ . 1]" 1
559 1 68 LYS HA 1 68 LYS HB3 2.529 . 3.328 3.019 3.015 3.022 . 0 0 "[ . 1]" 1
560 2 68 LYS HA 2 68 LYS HB3 2.529 . 3.328 3.019 3.016 3.023 . 0 0 "[ . 1]" 1
561 1 47 GLN HA 1 50 LEU MD2 2.541 . 3.348 2.393 2.254 2.594 . 0 0 "[ . 1]" 1
562 2 47 GLN HA 2 50 LEU MD2 2.541 . 3.348 2.394 2.258 2.597 . 0 0 "[ . 1]" 1
563 1 62 LYS HA 1 65 VAL MG2 2.497 . 3.277 3.151 2.937 3.307 0.030 3 0 "[ . 1]" 1
564 2 62 LYS HA 2 65 VAL MG2 2.497 . 3.277 3.149 2.925 3.310 0.033 3 0 "[ . 1]" 1
565 1 49 PHE HA 1 49 PHE HB2 2.323 . 2.998 2.405 2.388 2.421 . 0 0 "[ . 1]" 1
566 2 49 PHE HA 2 49 PHE HB2 2.323 . 2.998 2.405 2.389 2.422 . 0 0 "[ . 1]" 1
567 1 49 PHE HA 1 52 GLN HB2 2.534 . 3.337 2.842 2.683 2.927 . 0 0 "[ . 1]" 1
568 2 49 PHE HA 2 52 GLN HB2 2.534 . 3.337 2.845 2.687 2.928 . 0 0 "[ . 1]" 1
569 1 68 LYS HA 1 68 LYS HB2 2.734 . 3.668 2.494 2.479 2.508 . 0 0 "[ . 1]" 1
570 2 68 LYS HA 2 68 LYS HB2 2.734 . 3.668 2.494 2.479 2.509 . 0 0 "[ . 1]" 1
571 1 57 TYR HA 1 57 TYR HB2 2.563 . 3.384 2.402 2.359 2.447 . 0 0 "[ . 1]" 1
572 2 57 TYR HA 2 57 TYR HB2 2.563 . 3.384 2.403 2.356 2.450 . 0 0 "[ . 1]" 1
573 1 57 TYR HA 1 57 TYR HB3 2.526 . 3.324 3.017 3.006 3.023 . 0 0 "[ . 1]" 1
574 2 57 TYR HA 2 57 TYR HB3 2.526 . 3.324 3.017 3.007 3.023 . 0 0 "[ . 1]" 1
575 1 42 PHE HA 1 42 PHE HB3 2.440 . 3.184 3.022 3.015 3.026 . 0 0 "[ . 1]" 1
576 2 42 PHE HA 2 42 PHE HB3 2.440 . 3.184 3.022 3.015 3.026 . 0 0 "[ . 1]" 1
577 1 42 PHE HA 1 42 PHE HB2 2.443 . 3.189 2.396 2.367 2.411 . 0 0 "[ . 1]" 1
578 2 42 PHE HA 2 42 PHE HB2 2.443 . 3.189 2.396 2.370 2.411 . 0 0 "[ . 1]" 1
579 1 37 VAL HA 1 37 VAL HB 2.563 . 3.384 3.023 3.018 3.028 . 0 0 "[ . 1]" 1
580 2 37 VAL HA 2 37 VAL HB 2.563 . 3.384 3.023 3.020 3.026 . 0 0 "[ . 1]" 1
581 1 36 VAL HA 1 36 VAL HB 2.427 . 3.163 2.455 2.416 2.517 . 0 0 "[ . 1]" 1
582 2 36 VAL HA 2 36 VAL HB 2.427 . 3.163 2.455 2.416 2.518 . 0 0 "[ . 1]" 1
583 1 39 THR HA 1 39 THR MG 2.266 . 2.908 2.428 2.408 2.448 . 0 0 "[ . 1]" 1
584 2 39 THR HA 2 39 THR MG 2.266 . 2.908 2.428 2.411 2.447 . 0 0 "[ . 1]" 1
585 1 34 GLU HA 1 37 VAL MG1 2.772 . 3.733 3.986 3.872 4.197 0.464 8 0 "[ . 1]" 1
586 2 34 GLU HA 2 37 VAL MG1 2.772 . 3.733 3.985 3.866 4.195 0.462 8 0 "[ . 1]" 1
587 1 34 GLU HA 1 37 VAL HB 2.865 . 3.891 2.699 2.548 2.925 . 0 0 "[ . 1]" 1
588 2 34 GLU HA 2 37 VAL HB 2.865 . 3.891 2.698 2.544 2.922 . 0 0 "[ . 1]" 1
589 1 53 ARG HA 1 53 ARG QB 2.266 . 2.908 2.414 2.334 2.448 . 0 0 "[ . 1]" 1
590 2 53 ARG HA 2 53 ARG QB 2.266 . 2.908 2.415 2.334 2.448 . 0 0 "[ . 1]" 1
591 1 52 GLN HA 1 52 GLN HG3 2.433 . 3.173 3.080 2.899 3.172 . 0 0 "[ . 1]" 1
592 2 52 GLN HA 2 52 GLN HG3 2.433 . 3.173 3.079 2.901 3.166 . 0 0 "[ . 1]" 1
593 1 46 LEU HA 1 49 PHE HB3 2.750 . 3.695 3.008 2.907 3.111 . 0 0 "[ . 1]" 1
594 2 46 LEU HA 2 49 PHE HB3 2.750 . 3.695 3.008 2.908 3.111 . 0 0 "[ . 1]" 1
595 1 46 LEU HA 1 49 PHE HB2 2.860 . 3.883 3.903 3.712 4.050 0.167 9 0 "[ . 1]" 1
596 2 46 LEU HA 2 49 PHE HB2 2.860 . 3.883 3.904 3.714 4.050 0.167 9 0 "[ . 1]" 1
597 1 55 LYS HA 1 55 LYS QG 2.359 . 3.055 2.839 2.341 2.972 . 0 0 "[ . 1]" 1
598 2 55 LYS HA 2 55 LYS QG 2.359 . 3.055 2.839 2.338 2.969 . 0 0 "[ . 1]" 1
599 1 34 GLU HA 1 34 GLU HG2 2.261 . 2.900 3.007 2.565 3.709 0.809 1 1 "[+ . 1]" 1
600 2 34 GLU HA 2 34 GLU HG2 2.261 . 2.900 3.010 2.557 3.710 0.810 1 1 "[+ . 1]" 1
601 1 34 GLU HA 1 34 GLU HB2 2.158 . 2.740 2.595 2.445 3.016 0.276 7 0 "[ . 1]" 1
602 2 34 GLU HA 2 34 GLU HB2 2.158 . 2.740 2.595 2.442 3.015 0.275 7 0 "[ . 1]" 1
603 1 61 ASN HA 1 64 ARG HB3 2.327 . 3.004 2.765 2.544 2.862 . 0 0 "[ . 1]" 1
604 2 61 ASN HA 2 64 ARG HB3 2.327 . 3.004 2.764 2.541 2.860 . 0 0 "[ . 1]" 1
605 1 54 LEU HA 1 54 LEU HB2 2.573 . 3.400 2.993 2.985 3.001 . 0 0 "[ . 1]" 1
606 2 54 LEU HA 2 54 LEU HB2 2.573 . 3.400 2.993 2.985 3.000 . 0 0 "[ . 1]" 1
607 1 41 ALA HA 1 41 ALA MB 1.999 . 2.498 2.125 2.122 2.128 . 0 0 "[ . 1]" 1
608 2 41 ALA HA 2 41 ALA MB 1.999 . 2.498 2.125 2.122 2.128 . 0 0 "[ . 1]" 1
609 1 31 PRO HD2 1 31 PRO HG2 1.981 . 2.472 2.333 2.327 2.340 . 0 0 "[ . 1]" 1
610 2 31 PRO HD2 2 31 PRO HG2 1.981 . 2.472 2.333 2.328 2.341 . 0 0 "[ . 1]" 1
611 1 53 ARG HA 1 53 ARG HD3 2.484 . 3.255 2.511 2.017 3.032 . 0 0 "[ . 1]" 1
612 2 53 ARG HA 2 53 ARG HD3 2.484 . 3.255 2.511 2.018 3.030 . 0 0 "[ . 1]" 1
613 1 53 ARG HA 1 53 ARG HD2 2.521 . 3.315 2.472 1.973 3.340 0.025 2 0 "[ . 1]" 1
614 2 53 ARG HA 2 53 ARG HD2 2.521 . 3.315 2.472 1.977 3.342 0.027 2 0 "[ . 1]" 1
615 1 45 ASP HA 1 45 ASP HB3 2.394 . 3.111 2.621 2.552 2.992 . 0 0 "[ . 1]" 1
616 2 45 ASP HA 2 45 ASP HB3 2.394 . 3.111 2.621 2.554 2.989 . 0 0 "[ . 1]" 1
617 1 45 ASP HA 1 45 ASP HB2 2.229 . 2.850 2.965 2.639 3.012 0.162 10 0 "[ . 1]" 1
618 2 45 ASP HA 2 45 ASP HB2 2.229 . 2.850 2.965 2.639 3.013 0.163 10 0 "[ . 1]" 1
619 1 65 VAL HA 1 65 VAL MG2 2.251 . 2.884 2.395 2.386 2.414 . 0 0 "[ . 1]" 1
620 2 65 VAL HA 2 65 VAL MG2 2.251 . 2.884 2.396 2.384 2.411 . 0 0 "[ . 1]" 1
621 1 65 VAL HA 1 65 VAL MG1 2.286 . 2.939 2.405 2.386 2.414 . 0 0 "[ . 1]" 1
622 2 65 VAL HA 2 65 VAL MG1 2.286 . 2.939 2.404 2.381 2.415 . 0 0 "[ . 1]" 1
623 1 65 VAL HA 1 65 VAL HB 2.646 . 3.521 3.027 3.026 3.029 . 0 0 "[ . 1]" 1
624 2 65 VAL HA 2 65 VAL HB 2.646 . 3.521 3.028 3.026 3.030 . 0 0 "[ . 1]" 1
625 1 65 VAL HA 1 68 LYS HB2 2.803 . 3.785 3.574 3.461 3.738 . 0 0 "[ . 1]" 1
626 2 65 VAL HA 2 68 LYS HB2 2.803 . 3.785 3.571 3.456 3.731 . 0 0 "[ . 1]" 1
627 1 65 VAL H 1 65 VAL HA 2.680 . 3.578 2.873 2.865 2.878 . 0 0 "[ . 1]" 1
628 2 65 VAL H 2 65 VAL HA 2.680 . 3.578 2.873 2.866 2.879 . 0 0 "[ . 1]" 1
629 1 36 VAL H 1 36 VAL HA 2.563 . 3.384 2.857 2.821 2.902 . 0 0 "[ . 1]" 1
630 2 36 VAL H 2 36 VAL HA 2.563 . 3.384 2.858 2.819 2.904 . 0 0 "[ . 1]" 1
631 1 36 VAL HA 1 39 THR H 2.987 . 4.103 4.077 3.908 4.140 0.037 10 0 "[ . 1]" 1
632 2 36 VAL HA 2 39 THR H 2.987 . 4.103 4.078 3.908 4.142 0.039 10 0 "[ . 1]" 1
633 1 36 VAL HA 1 37 VAL H 2.884 . 3.924 3.489 3.448 3.517 . 0 0 "[ . 1]" 1
634 2 36 VAL HA 2 37 VAL H 2.884 . 3.924 3.488 3.449 3.515 . 0 0 "[ . 1]" 1
635 1 57 TYR HA 1 58 ASP H 2.878 . 3.913 3.512 3.493 3.541 . 0 0 "[ . 1]" 1
636 2 57 TYR HA 2 58 ASP H 2.878 . 3.913 3.512 3.491 3.536 . 0 0 "[ . 1]" 1
637 1 49 PHE HA 1 50 LEU H 2.953 . 4.043 3.504 3.499 3.509 . 0 0 "[ . 1]" 1
638 2 49 PHE HA 2 50 LEU H 2.953 . 4.043 3.504 3.495 3.509 . 0 0 "[ . 1]" 1
639 1 68 LYS HA 1 71 TRP H 2.999 . 4.124 3.290 3.209 3.374 . 0 0 "[ . 1]" 1
640 2 68 LYS HA 2 71 TRP H 2.999 . 4.124 3.290 3.207 3.373 . 0 0 "[ . 1]" 1
641 1 68 LYS HA 1 71 TRP HE3 3.075 . 4.257 3.217 3.033 3.356 . 0 0 "[ . 1]" 1
642 2 68 LYS HA 2 71 TRP HE3 3.075 . 4.257 3.217 3.034 3.356 . 0 0 "[ . 1]" 1
643 1 43 TRP HH2 1 68 LYS HA 2.782 . 3.750 2.602 2.532 2.670 . 0 0 "[ . 1]" 1
644 2 43 TRP HH2 2 68 LYS HA 2.782 . 3.750 2.601 2.529 2.669 . 0 0 "[ . 1]" 1
645 1 43 TRP HZ2 1 68 LYS HA 3.079 . 4.264 2.801 2.690 2.898 . 0 0 "[ . 1]" 1
646 2 43 TRP HZ2 2 68 LYS HA 3.079 . 4.264 2.801 2.692 2.898 . 0 0 "[ . 1]" 1
647 1 71 TRP HA 1 74 SER H 3.122 . 4.340 3.396 3.255 3.610 . 0 0 "[ . 1]" 1
648 2 71 TRP HA 2 74 SER H 3.122 . 4.340 3.395 3.250 3.608 . 0 0 "[ . 1]" 1
649 1 40 GLU HA 1 43 TRP H 2.959 . 4.054 3.516 3.342 3.733 . 0 0 "[ . 1]" 1
650 2 40 GLU HA 2 43 TRP H 2.959 . 4.054 3.518 3.344 3.736 . 0 0 "[ . 1]" 1
651 1 55 LYS HA 1 56 ASP H 2.678 . 3.574 2.801 2.745 2.862 . 0 0 "[ . 1]" 1
652 2 55 LYS HA 2 56 ASP H 2.678 . 3.574 2.801 2.743 2.861 . 0 0 "[ . 1]" 1
653 1 69 GLU HA 1 72 ARG H 2.882 . 3.920 3.120 2.986 3.267 . 0 0 "[ . 1]" 1
654 2 69 GLU HA 2 72 ARG H 2.882 . 3.920 3.117 2.980 3.263 . 0 0 "[ . 1]" 1
655 1 50 LEU HA 1 53 ARG H 2.984 . 4.097 3.499 3.405 3.575 . 0 0 "[ . 1]" 1
656 2 50 LEU HA 2 53 ARG H 2.984 . 4.097 3.500 3.406 3.575 . 0 0 "[ . 1]" 1
657 1 49 PHE QD 1 50 LEU HA 2.828 . 3.827 3.490 3.207 3.647 . 0 0 "[ . 1]" 1
658 2 49 PHE QD 2 50 LEU HA 2.828 . 3.827 3.489 3.205 3.643 . 0 0 "[ . 1]" 1
659 1 46 LEU HA 1 49 PHE H 2.923 . 3.991 3.481 3.438 3.559 . 0 0 "[ . 1]" 1
660 2 46 LEU HA 2 49 PHE H 2.923 . 3.991 3.482 3.441 3.560 . 0 0 "[ . 1]" 1
661 1 63 LEU HA 1 66 LEU H 2.835 . 3.840 3.260 3.192 3.316 . 0 0 "[ . 1]" 1
662 2 63 LEU HA 2 66 LEU H 2.835 . 3.840 3.260 3.188 3.318 . 0 0 "[ . 1]" 1
663 1 46 LEU HA 2 49 PHE HZ 2.913 . 3.973 3.824 3.509 4.182 0.209 6 0 "[ . 1]" 1
664 1 49 PHE HZ 2 46 LEU HA 2.913 . 3.973 3.823 3.549 4.170 0.197 6 0 "[ . 1]" 1
665 1 70 ALA HA 1 71 TRP H 2.910 . 3.969 3.512 3.503 3.521 . 0 0 "[ . 1]" 1
666 2 70 ALA HA 2 71 TRP H 2.910 . 3.969 3.511 3.498 3.523 . 0 0 "[ . 1]" 1
667 1 54 LEU HA 1 55 LYS H 2.917 . 3.980 3.411 3.399 3.428 . 0 0 "[ . 1]" 1
668 2 54 LEU HA 2 55 LYS H 2.917 . 3.980 3.412 3.403 3.429 . 0 0 "[ . 1]" 1
669 1 70 ALA HA 1 73 SER H 2.849 . 3.864 3.303 3.245 3.396 . 0 0 "[ . 1]" 1
670 2 70 ALA HA 2 73 SER H 2.849 . 3.864 3.302 3.242 3.394 . 0 0 "[ . 1]" 1
671 1 56 ASP H 1 56 ASP HA 2.747 . 3.691 2.878 2.864 2.896 . 0 0 "[ . 1]" 1
672 2 56 ASP H 2 56 ASP HA 2.747 . 3.691 2.878 2.865 2.893 . 0 0 "[ . 1]" 1
673 1 56 ASP HA 1 57 TYR H 2.283 . 2.935 2.124 2.100 2.153 . 0 0 "[ . 1]" 1
674 2 56 ASP HA 2 57 TYR H 2.283 . 2.935 2.124 2.106 2.151 . 0 0 "[ . 1]" 1
675 1 39 THR HB 1 40 GLU H 2.628 . 3.492 2.707 2.515 2.841 . 0 0 "[ . 1]" 1
676 2 39 THR HB 2 40 GLU H 2.628 . 3.492 2.706 2.520 2.841 . 0 0 "[ . 1]" 1
677 1 39 THR H 1 39 THR HB 3.196 . 4.473 3.773 3.761 3.787 . 0 0 "[ . 1]" 1
678 2 39 THR H 2 39 THR HB 3.196 . 4.473 3.772 3.757 3.785 . 0 0 "[ . 1]" 1
679 1 39 THR HB 1 42 PHE H 3.259 . 4.586 3.341 3.220 3.529 . 0 0 "[ . 1]" 1
680 2 39 THR HB 2 42 PHE H 3.259 . 4.586 3.341 3.225 3.522 . 0 0 "[ . 1]" 1
681 1 65 VAL HA 1 69 GLU H 3.255 . 4.580 4.218 4.105 4.324 . 0 0 "[ . 1]" 1
682 2 65 VAL HA 2 69 GLU H 3.255 . 4.580 4.216 4.103 4.326 . 0 0 "[ . 1]" 1
683 1 37 VAL HA 1 42 PHE QE 3.073 . 4.253 3.671 3.589 3.806 . 0 0 "[ . 1]" 1
684 2 37 VAL HA 2 42 PHE QE 3.073 . 4.253 3.671 3.589 3.805 . 0 0 "[ . 1]" 1
685 1 37 VAL HA 1 42 PHE HD1 2.726 . 3.655 3.569 3.255 3.940 0.285 3 0 "[ . 1]" 1
686 2 37 VAL HA 2 42 PHE HD1 2.726 . 3.655 3.570 3.255 3.937 0.282 3 0 "[ . 1]" 1
687 1 37 VAL H 1 37 VAL HA 2.606 . 3.455 2.842 2.834 2.851 . 0 0 "[ . 1]" 1
688 2 37 VAL H 2 37 VAL HA 2.606 . 3.455 2.843 2.835 2.852 . 0 0 "[ . 1]" 1
689 1 37 VAL HA 1 38 ALA H 2.905 . 3.960 3.429 3.408 3.452 . 0 0 "[ . 1]" 1
690 2 37 VAL HA 2 38 ALA H 2.905 . 3.960 3.428 3.402 3.454 . 0 0 "[ . 1]" 1
691 1 36 VAL HA 1 38 ALA H 3.174 . 4.433 3.737 3.672 3.828 . 0 0 "[ . 1]" 1
692 2 36 VAL HA 2 38 ALA H 3.174 . 4.433 3.735 3.670 3.823 . 0 0 "[ . 1]" 1
693 1 64 ARG H 1 64 ARG HA 2.580 . 3.412 2.788 2.776 2.801 . 0 0 "[ . 1]" 1
694 2 64 ARG H 2 64 ARG HA 2.580 . 3.412 2.788 2.776 2.801 . 0 0 "[ . 1]" 1
695 1 64 ARG HA 1 67 PHE H 3.258 . 4.585 3.899 3.760 4.013 . 0 0 "[ . 1]" 1
696 2 64 ARG HA 2 67 PHE H 3.258 . 4.585 3.899 3.760 4.011 . 0 0 "[ . 1]" 1
697 1 71 TRP HA 2 67 PHE QE 3.164 . 4.416 3.281 3.122 3.498 . 0 0 "[ . 1]" 1
698 1 67 PHE QE 2 71 TRP HA 3.164 . 4.416 3.282 3.103 3.505 . 0 0 "[ . 1]" 1
699 1 49 PHE HA 1 53 ARG H 3.168 . 4.423 4.057 3.915 4.281 . 0 0 "[ . 1]" 1
700 2 49 PHE HA 2 53 ARG H 3.168 . 4.423 4.058 3.914 4.283 . 0 0 "[ . 1]" 1
701 1 42 PHE HA 2 49 PHE HZ 3.144 . 4.379 3.681 3.233 4.105 . 0 0 "[ . 1]" 1
702 1 49 PHE HZ 2 42 PHE HA 3.144 . 4.379 3.680 3.232 4.075 . 0 0 "[ . 1]" 1
703 1 42 PHE HA 1 42 PHE QD 2.671 . 3.562 2.895 2.713 2.966 . 0 0 "[ . 1]" 1
704 2 42 PHE HA 2 42 PHE QD 2.671 . 3.562 2.895 2.710 2.965 . 0 0 "[ . 1]" 1
705 1 50 LEU HA 2 42 PHE HZ 3.247 . 4.565 4.202 3.888 4.431 . 0 0 "[ . 1]" 1
706 1 42 PHE HZ 2 50 LEU HA 3.247 . 4.565 4.202 3.907 4.416 . 0 0 "[ . 1]" 1
707 1 50 LEU HA 1 51 GLU H 3.217 . 4.511 3.533 3.524 3.547 . 0 0 "[ . 1]" 1
708 2 50 LEU HA 2 51 GLU H 3.217 . 4.511 3.533 3.524 3.548 . 0 0 "[ . 1]" 1
709 1 71 TRP HE3 1 72 ARG HA 3.253 . 4.576 3.849 3.687 4.014 . 0 0 "[ . 1]" 1
710 2 71 TRP HE3 2 72 ARG HA 3.253 . 4.576 3.851 3.688 4.014 . 0 0 "[ . 1]" 1
711 1 51 GLU HA 1 54 LEU H 3.129 . 4.353 3.893 3.609 4.042 . 0 0 "[ . 1]" 1
712 2 51 GLU HA 2 54 LEU H 3.129 . 4.353 3.893 3.610 4.045 . 0 0 "[ . 1]" 1
713 1 63 LEU HA 1 64 ARG H 3.144 . 4.380 3.519 3.509 3.530 . 0 0 "[ . 1]" 1
714 2 63 LEU HA 2 64 ARG H 3.144 . 4.380 3.519 3.508 3.531 . 0 0 "[ . 1]" 1
715 1 67 PHE HA 1 67 PHE QD 2.249 . 2.881 2.014 1.999 2.030 . 0 0 "[ . 1]" 1
716 2 67 PHE HA 2 67 PHE QD 2.249 . 2.881 2.013 1.998 2.031 . 0 0 "[ . 1]" 1
717 1 53 ARG HA 1 53 ARG HE 3.293 . 4.648 4.406 4.010 4.669 0.021 9 0 "[ . 1]" 1
718 2 53 ARG HA 2 53 ARG HE 3.293 . 4.648 4.405 4.009 4.663 0.015 9 0 "[ . 1]" 1
719 1 47 GLN HE22 1 61 ASN HA 3.140 . 4.373 3.258 2.965 3.593 . 0 0 "[ . 1]" 1
720 2 47 GLN HE22 2 61 ASN HA 3.140 . 4.373 3.258 2.961 3.593 . 0 0 "[ . 1]" 1
721 1 55 LYS HA 1 55 LYS HD2 2.866 . 3.893 2.754 1.893 3.039 . 0 0 "[ . 1]" 1
722 2 55 LYS HA 2 55 LYS HD2 2.866 . 3.893 2.754 1.890 3.037 . 0 0 "[ . 1]" 1
723 1 44 ASP HA 1 47 GLN HB3 2.543 . 3.352 3.058 2.891 3.215 . 0 0 "[ . 1]" 1
724 2 44 ASP HA 2 47 GLN HB3 2.543 . 3.352 3.058 2.891 3.211 . 0 0 "[ . 1]" 1
725 1 41 ALA HA 1 44 ASP HB2 2.333 . 3.013 3.267 3.022 3.477 0.464 10 0 "[ . 1]" 1
726 2 41 ALA HA 2 44 ASP HB2 2.333 . 3.013 3.265 3.033 3.478 0.465 10 0 "[ . 1]" 1
727 1 40 GLU HA 1 40 GLU QB 2.289 . 2.944 2.351 2.176 2.407 . 0 0 "[ . 1]" 1
728 2 40 GLU HA 2 40 GLU QB 2.289 . 2.944 2.351 2.176 2.407 . 0 0 "[ . 1]" 1
729 1 54 LEU HA 2 36 VAL MG1 2.807 . 3.710 2.043 1.833 2.257 . 0 0 "[ . 1]" 1
730 1 36 VAL MG1 2 54 LEU HA 2.807 . 3.710 2.048 1.756 2.317 0.066 3 0 "[ . 1]" 1
731 1 66 LEU HG 1 67 PHE HA 2.725 . 3.653 3.508 3.388 3.582 . 0 0 "[ . 1]" 1
732 2 66 LEU HG 2 67 PHE HA 2.725 . 3.653 3.508 3.387 3.581 . 0 0 "[ . 1]" 1
733 1 56 ASP HA 1 56 ASP HB3 2.477 . 3.244 3.022 3.014 3.028 . 0 0 "[ . 1]" 1
734 2 56 ASP HA 2 56 ASP HB3 2.477 . 3.244 3.022 3.013 3.025 . 0 0 "[ . 1]" 1
735 1 59 GLU HA 1 62 LYS QE 2.981 . 4.092 3.696 3.307 4.338 0.246 5 0 "[ . 1]" 1
736 2 59 GLU HA 2 62 LYS QE 2.981 . 4.092 3.696 3.307 4.337 0.245 5 0 "[ . 1]" 1
737 1 51 GLU HG2 1 57 TYR HA 2.784 . 3.753 2.216 2.047 2.383 . 0 0 "[ . 1]" 1
738 2 51 GLU HG2 2 57 TYR HA 2.784 . 3.753 2.216 2.054 2.385 . 0 0 "[ . 1]" 1
739 1 54 LEU HB3 1 56 ASP HB3 3.281 . 4.626 2.786 2.630 3.038 . 0 0 "[ . 1]" 1
740 2 54 LEU HB3 2 56 ASP HB3 3.281 . 4.626 2.785 2.637 3.030 . 0 0 "[ . 1]" 1
741 1 59 GLU HG3 1 63 LEU QD 2.849 . 3.863 2.761 2.422 3.228 . 0 0 "[ . 1]" 1
742 2 59 GLU HG3 2 63 LEU QD 2.849 . 3.863 2.760 2.423 3.223 . 0 0 "[ . 1]" 1
743 1 54 LEU QD 1 59 GLU HG3 2.720 . 3.645 2.513 2.264 2.846 . 0 0 "[ . 1]" 1
744 2 54 LEU QD 2 59 GLU HG3 2.720 . 3.645 2.511 2.250 2.846 . 0 0 "[ . 1]" 1
745 1 67 PHE HA 1 67 PHE HB3 2.900 . 3.951 2.496 2.483 2.508 . 0 0 "[ . 1]" 1
746 2 67 PHE HA 2 67 PHE HB3 2.900 . 3.951 2.497 2.483 2.509 . 0 0 "[ . 1]" 1
747 1 47 GLN HA 1 47 GLN HG3 2.810 . 3.797 2.573 2.531 2.606 . 0 0 "[ . 1]" 1
748 2 47 GLN HA 2 47 GLN HG3 2.810 . 3.797 2.573 2.534 2.605 . 0 0 "[ . 1]" 1
749 1 47 GLN HA 1 47 GLN HG2 2.788 . 3.759 3.189 3.005 3.266 . 0 0 "[ . 1]" 1
750 2 47 GLN HA 2 47 GLN HG2 2.788 . 3.759 3.189 3.008 3.263 . 0 0 "[ . 1]" 1
751 1 65 VAL HA 1 69 GLU HG2 3.109 . 4.317 4.321 3.666 5.223 0.906 9 4 "[ .- *+*]" 1
752 2 65 VAL HA 2 69 GLU HG2 3.109 . 4.317 4.319 3.668 5.228 0.911 9 4 "[ .- *+*]" 1
753 1 36 VAL HA 1 39 THR MG 2.226 . 2.845 2.206 2.068 2.285 . 0 0 "[ . 1]" 1
754 2 36 VAL HA 2 39 THR MG 2.226 . 2.845 2.206 2.070 2.286 . 0 0 "[ . 1]" 1
755 1 54 LEU HA 1 54 LEU HG 2.958 . 4.052 2.632 2.571 2.769 . 0 0 "[ . 1]" 1
756 2 54 LEU HA 2 54 LEU HG 2.958 . 4.052 2.632 2.568 2.771 . 0 0 "[ . 1]" 1
757 1 69 GLU HA 1 72 ARG HG3 2.955 . 4.047 3.105 2.788 3.493 . 0 0 "[ . 1]" 1
758 2 69 GLU HA 2 72 ARG HG3 2.955 . 4.047 3.103 2.778 3.493 . 0 0 "[ . 1]" 1
759 1 36 VAL HA 1 36 VAL MG2 2.281 . 2.932 2.347 2.281 2.401 . 0 0 "[ . 1]" 1
760 2 36 VAL HA 2 36 VAL MG2 2.281 . 2.932 2.346 2.281 2.397 . 0 0 "[ . 1]" 1
761 1 36 VAL MG2 2 53 ARG HD3 3.323 . 4.704 4.149 3.328 4.594 . 0 0 "[ . 1]" 1
762 1 53 ARG HD3 2 36 VAL MG2 3.323 . 4.704 4.148 3.329 4.592 . 0 0 "[ . 1]" 1
763 1 36 VAL MG2 1 42 PHE HB3 2.744 . 3.685 3.896 3.699 4.176 0.491 5 0 "[ . 1]" 1
764 2 36 VAL MG2 2 42 PHE HB3 2.744 . 3.685 3.896 3.704 4.179 0.494 5 0 "[ . 1]" 1
765 1 36 VAL MG2 1 42 PHE HB2 2.700 . 3.611 2.402 2.180 2.651 . 0 0 "[ . 1]" 1
766 2 36 VAL MG2 2 42 PHE HB2 2.700 . 3.611 2.403 2.184 2.653 . 0 0 "[ . 1]" 1
767 1 36 VAL MG2 1 37 VAL HA 2.856 . 3.876 3.727 3.541 4.055 0.179 5 0 "[ . 1]" 1
768 2 36 VAL MG2 2 37 VAL HA 2.856 . 3.876 3.726 3.545 4.058 0.182 5 0 "[ . 1]" 1
769 1 63 LEU HA 1 63 LEU QD 1.946 . 2.419 1.923 1.905 1.949 . 0 0 "[ . 1]" 1
770 2 63 LEU HA 2 63 LEU QD 1.946 . 2.419 1.923 1.905 1.946 . 0 0 "[ . 1]" 1
771 1 63 LEU QD 2 71 TRP HA 2.888 . 3.931 3.339 3.054 3.484 . 0 0 "[ . 1]" 1
772 1 71 TRP HA 2 63 LEU QD 2.888 . 3.931 3.339 3.071 3.485 . 0 0 "[ . 1]" 1
773 1 63 LEU QD 2 71 TRP HB2 2.780 . 3.746 2.908 2.748 3.082 . 0 0 "[ . 1]" 1
774 1 71 TRP HB2 2 63 LEU QD 2.780 . 3.746 2.908 2.764 3.077 . 0 0 "[ . 1]" 1
775 1 37 VAL MG1 1 38 ALA HA 2.974 . 4.079 3.774 3.656 3.870 . 0 0 "[ . 1]" 1
776 2 37 VAL MG1 2 38 ALA HA 2.974 . 4.079 3.774 3.657 3.869 . 0 0 "[ . 1]" 1
777 1 37 VAL MG1 1 71 TRP HB2 3.153 . 4.395 3.613 3.436 3.865 . 0 0 "[ . 1]" 1
778 2 37 VAL MG1 2 71 TRP HB2 3.153 . 4.395 3.613 3.439 3.866 . 0 0 "[ . 1]" 1
779 1 34 GLU HA 1 37 VAL MG2 2.785 . 3.754 2.693 2.326 3.067 . 0 0 "[ . 1]" 1
780 2 34 GLU HA 2 37 VAL MG2 2.785 . 3.754 2.692 2.323 3.075 . 0 0 "[ . 1]" 1
781 1 37 VAL HA 1 37 VAL MG2 2.232 . 2.855 2.450 2.417 2.476 . 0 0 "[ . 1]" 1
782 2 37 VAL HA 2 37 VAL MG2 2.232 . 2.855 2.449 2.418 2.474 . 0 0 "[ . 1]" 1
783 1 37 VAL HA 1 37 VAL MG1 2.326 . 3.002 2.363 2.331 2.398 . 0 0 "[ . 1]" 1
784 2 37 VAL HA 2 37 VAL MG1 2.326 . 3.002 2.363 2.330 2.400 . 0 0 "[ . 1]" 1
785 1 54 LEU QD 2 42 PHE HB2 3.261 . 4.590 4.497 4.123 4.757 0.167 2 0 "[ . 1]" 1
786 1 42 PHE HB2 2 54 LEU QD 3.261 . 4.590 4.498 4.067 4.726 0.136 2 0 "[ . 1]" 1
787 1 54 LEU QD 2 37 VAL HA 2.693 . 3.600 3.550 3.294 3.661 0.061 8 0 "[ . 1]" 1
788 1 37 VAL HA 2 54 LEU QD 2.693 . 3.600 3.551 3.232 3.681 0.081 8 0 "[ . 1]" 1
789 1 39 THR MG 1 42 PHE HB3 3.138 . 4.369 4.346 4.206 4.522 0.153 8 0 "[ . 1]" 1
790 2 39 THR MG 2 42 PHE HB3 3.138 . 4.369 4.348 4.214 4.517 0.148 8 0 "[ . 1]" 1
791 1 39 THR MG 1 42 PHE HB2 3.244 . 4.559 4.078 3.954 4.257 . 0 0 "[ . 1]" 1
792 2 39 THR MG 2 42 PHE HB2 3.244 . 4.559 4.079 3.952 4.262 . 0 0 "[ . 1]" 1
793 1 36 VAL MG1 1 42 PHE HB2 3.233 . 4.539 3.891 3.607 4.136 . 0 0 "[ . 1]" 1
794 2 36 VAL MG1 2 42 PHE HB2 3.233 . 4.539 3.893 3.608 4.136 . 0 0 "[ . 1]" 1
795 1 57 TYR HA 1 60 ALA MB 2.368 . 3.069 2.437 2.255 2.715 . 0 0 "[ . 1]" 1
796 2 57 TYR HA 2 60 ALA MB 2.368 . 3.069 2.437 2.249 2.713 . 0 0 "[ . 1]" 1
797 1 60 ALA HA 1 60 ALA MB 2.172 . 2.762 2.135 2.133 2.137 . 0 0 "[ . 1]" 1
798 2 60 ALA HA 2 60 ALA MB 2.172 . 2.762 2.135 2.133 2.137 . 0 0 "[ . 1]" 1
799 1 51 GLU HA 1 60 ALA MB 2.307 . 2.973 2.593 2.387 2.784 . 0 0 "[ . 1]" 1
800 2 51 GLU HA 2 60 ALA MB 2.307 . 2.973 2.593 2.390 2.783 . 0 0 "[ . 1]" 1
801 1 47 GLN HG3 1 60 ALA MB 2.555 . 3.371 2.248 2.054 2.390 . 0 0 "[ . 1]" 1
802 2 47 GLN HG3 2 60 ALA MB 2.555 . 3.371 2.247 2.051 2.385 . 0 0 "[ . 1]" 1
803 1 51 GLU HG3 1 60 ALA MB 2.419 . 3.151 2.468 2.204 2.666 . 0 0 "[ . 1]" 1
804 2 51 GLU HG3 2 60 ALA MB 2.419 . 3.151 2.468 2.200 2.661 . 0 0 "[ . 1]" 1
805 1 47 GLN HG2 1 60 ALA MB 2.214 . 2.827 2.967 2.570 3.204 0.377 5 0 "[ . 1]" 1
806 2 47 GLN HG2 2 60 ALA MB 2.214 . 2.827 2.966 2.567 3.203 0.376 5 0 "[ . 1]" 1
807 1 60 ALA MB 1 61 ASN HB2 3.026 . 4.170 3.937 3.790 4.015 . 0 0 "[ . 1]" 1
808 2 60 ALA MB 2 61 ASN HB2 3.026 . 4.170 3.939 3.790 4.021 . 0 0 "[ . 1]" 1
809 1 46 LEU HA 1 46 LEU MD2 2.183 . 2.779 1.974 1.961 1.990 . 0 0 "[ . 1]" 1
810 2 46 LEU HA 2 46 LEU MD2 2.183 . 2.779 1.974 1.960 1.988 . 0 0 "[ . 1]" 1
811 1 68 LYS HB2 1 68 LYS HG2 2.778 . 3.743 3.013 3.010 3.015 . 0 0 "[ . 1]" 1
812 2 68 LYS HB2 2 68 LYS HG2 2.778 . 3.743 3.012 3.010 3.014 . 0 0 "[ . 1]" 1
813 1 68 LYS HG2 1 72 ARG HG2 3.205 . 4.489 2.805 2.627 2.995 . 0 0 "[ . 1]" 1
814 2 68 LYS HG2 2 72 ARG HG2 3.205 . 4.489 2.806 2.629 2.991 . 0 0 "[ . 1]" 1
815 1 36 VAL HB 1 36 VAL MG1 2.246 . 2.877 2.122 2.119 2.126 . 0 0 "[ . 1]" 1
816 2 36 VAL HB 2 36 VAL MG1 2.246 . 2.877 2.123 2.120 2.127 . 0 0 "[ . 1]" 1
817 1 36 VAL HB 1 36 VAL MG2 2.413 . 3.141 2.126 2.121 2.129 . 0 0 "[ . 1]" 1
818 2 36 VAL HB 2 36 VAL MG2 2.413 . 3.141 2.126 2.122 2.130 . 0 0 "[ . 1]" 1
819 1 37 VAL HB 2 54 LEU QD 3.265 . 4.597 4.059 3.949 4.189 . 0 0 "[ . 1]" 1
820 1 54 LEU QD 2 37 VAL HB 3.265 . 4.597 4.059 3.929 4.167 . 0 0 "[ . 1]" 1
821 1 37 VAL HB 1 37 VAL MG2 2.472 . 3.236 2.124 2.121 2.126 . 0 0 "[ . 1]" 1
822 2 37 VAL HB 2 37 VAL MG2 2.472 . 3.236 2.125 2.121 2.127 . 0 0 "[ . 1]" 1
823 1 68 LYS HB3 1 68 LYS HG2 2.993 . 4.113 2.430 2.404 2.463 . 0 0 "[ . 1]" 1
824 2 68 LYS HB3 2 68 LYS HG2 2.993 . 4.113 2.430 2.403 2.464 . 0 0 "[ . 1]" 1
825 1 68 LYS HD2 1 68 LYS HG2 2.982 . 4.093 3.016 3.013 3.018 . 0 0 "[ . 1]" 1
826 2 68 LYS HD2 2 68 LYS HG2 2.982 . 4.093 3.016 3.012 3.018 . 0 0 "[ . 1]" 1
827 1 54 LEU QD 1 59 GLU HB2 3.207 . 4.493 3.666 3.451 3.890 . 0 0 "[ . 1]" 1
828 2 54 LEU QD 2 59 GLU HB2 3.207 . 4.493 3.666 3.447 3.890 . 0 0 "[ . 1]" 1
829 1 54 LEU QD 1 59 GLU HB3 3.160 . 4.408 2.261 2.043 2.504 . 0 0 "[ . 1]" 1
830 2 54 LEU QD 2 59 GLU HB3 3.160 . 4.408 2.263 2.044 2.499 . 0 0 "[ . 1]" 1
831 1 46 LEU HB2 1 46 LEU MD2 2.437 . 3.180 2.447 2.420 2.483 . 0 0 "[ . 1]" 1
832 2 46 LEU HB2 2 46 LEU MD2 2.437 . 3.180 2.448 2.420 2.483 . 0 0 "[ . 1]" 1
833 1 68 LYS HB2 1 68 LYS HG3 2.785 . 3.755 2.454 2.423 2.478 . 0 0 "[ . 1]" 1
834 2 68 LYS HB2 2 68 LYS HG3 2.785 . 3.755 2.453 2.423 2.479 . 0 0 "[ . 1]" 1
835 1 68 LYS HB2 1 68 LYS HD2 3.133 . 4.360 2.466 2.414 2.544 . 0 0 "[ . 1]" 1
836 2 68 LYS HB2 2 68 LYS HD2 3.133 . 4.360 2.465 2.418 2.544 . 0 0 "[ . 1]" 1
837 1 59 GLU HA 1 62 LYS QD 2.691 . 3.596 2.402 2.012 3.285 . 0 0 "[ . 1]" 1
838 2 59 GLU HA 2 62 LYS QD 2.691 . 3.596 2.402 2.011 3.285 . 0 0 "[ . 1]" 1
839 1 69 GLU HA 1 72 ARG HG2 2.671 . 3.563 3.014 2.622 3.708 0.145 9 0 "[ . 1]" 1
840 2 69 GLU HA 2 72 ARG HG2 2.671 . 3.563 3.013 2.623 3.707 0.144 9 0 "[ . 1]" 1
841 1 37 VAL MG1 1 38 ALA MB 3.215 . 4.507 4.301 4.218 4.380 . 0 0 "[ . 1]" 1
842 2 37 VAL MG1 2 38 ALA MB 3.215 . 4.507 4.300 4.218 4.380 . 0 0 "[ . 1]" 1
843 1 49 PHE HA 1 49 PHE HB3 2.739 . 3.677 3.025 3.019 3.029 . 0 0 "[ . 1]" 1
844 2 49 PHE HA 2 49 PHE HB3 2.739 . 3.677 3.026 3.021 3.029 . 0 0 "[ . 1]" 1
845 1 48 GLY HA2 1 51 GLU HB2 2.791 . 3.765 2.717 2.650 2.780 . 0 0 "[ . 1]" 1
846 2 48 GLY HA2 2 51 GLU HB2 2.791 . 3.765 2.716 2.646 2.772 . 0 0 "[ . 1]" 1
847 1 55 LYS HA 1 55 LYS QE 3.015 . 4.151 3.793 2.735 4.067 . 0 0 "[ . 1]" 1
848 2 55 LYS HA 2 55 LYS QE 3.015 . 4.151 3.792 2.730 4.066 . 0 0 "[ . 1]" 1
849 1 47 GLN HA 1 60 ALA MB 2.938 . 4.017 3.135 3.020 3.252 . 0 0 "[ . 1]" 1
850 2 47 GLN HA 2 60 ALA MB 2.938 . 4.017 3.135 3.019 3.251 . 0 0 "[ . 1]" 1
851 1 45 ASP HA 1 46 LEU H 2.883 . 3.922 3.502 3.496 3.506 . 0 0 "[ . 1]" 1
852 2 45 ASP HA 2 46 LEU H 2.883 . 3.922 3.501 3.494 3.506 . 0 0 "[ . 1]" 1
853 1 62 LYS HA 1 66 LEU H 3.142 . 4.376 4.071 4.001 4.126 . 0 0 "[ . 1]" 1
854 2 62 LYS HA 2 66 LEU H 3.142 . 4.376 4.069 4.000 4.128 . 0 0 "[ . 1]" 1
855 1 57 TYR HB2 1 60 ALA MB 3.239 . 4.550 4.500 4.319 4.767 0.217 1 0 "[ . 1]" 1
856 2 57 TYR HB2 2 60 ALA MB 3.239 . 4.550 4.501 4.316 4.769 0.219 1 0 "[ . 1]" 1
857 1 57 TYR QD 1 60 ALA MB 3.161 . 4.410 3.973 3.726 4.350 . 0 0 "[ . 1]" 1
858 2 57 TYR QD 2 60 ALA MB 3.161 . 4.410 3.972 3.724 4.349 . 0 0 "[ . 1]" 1
859 1 41 ALA MB 1 43 TRP H 3.145 . 4.382 4.682 4.599 4.734 0.352 6 0 "[ . 1]" 1
860 2 41 ALA MB 2 43 TRP H 3.145 . 4.382 4.680 4.600 4.732 0.350 6 0 "[ . 1]" 1
861 1 65 VAL HA 1 68 LYS HB3 3.321 . 4.699 2.825 2.752 2.894 . 0 0 "[ . 1]" 1
862 2 65 VAL HA 2 68 LYS HB3 3.321 . 4.699 2.822 2.748 2.889 . 0 0 "[ . 1]" 1
863 1 39 THR HB 1 39 THR MG 2.186 . 2.783 2.132 2.130 2.135 . 0 0 "[ . 1]" 1
864 2 39 THR HB 2 39 THR MG 2.186 . 2.783 2.132 2.130 2.135 . 0 0 "[ . 1]" 1
865 1 36 VAL MG1 1 37 VAL HA 3.235 . 4.543 3.286 3.180 3.447 . 0 0 "[ . 1]" 1
866 2 36 VAL MG1 2 37 VAL HA 3.235 . 4.543 3.287 3.184 3.445 . 0 0 "[ . 1]" 1
867 1 67 PHE HA 1 67 PHE HB2 2.868 . 3.896 3.023 3.022 3.025 . 0 0 "[ . 1]" 1
868 2 67 PHE HA 2 67 PHE HB2 2.868 . 3.896 3.024 3.022 3.025 . 0 0 "[ . 1]" 1
869 1 36 VAL MG2 1 42 PHE HA 3.070 . 4.248 3.792 3.567 3.934 . 0 0 "[ . 1]" 1
870 2 36 VAL MG2 2 42 PHE HA 3.070 . 4.248 3.792 3.567 3.935 . 0 0 "[ . 1]" 1
871 1 41 ALA MB 1 42 PHE HA 3.159 . 4.407 3.831 3.798 3.870 . 0 0 "[ . 1]" 1
872 2 41 ALA MB 2 42 PHE HA 3.159 . 4.407 3.831 3.797 3.871 . 0 0 "[ . 1]" 1
873 1 72 ARG H 1 72 ARG HD2 3.043 . 4.200 4.029 3.318 4.869 0.669 9 3 "[ - . +*]" 1
874 2 72 ARG H 2 72 ARG HD2 3.043 . 4.200 4.030 3.316 4.865 0.665 9 3 "[ - . +*]" 1
875 1 54 LEU QD 1 54 LEU HG 2.099 . 2.650 1.891 1.888 1.892 . 0 0 "[ . 1]" 1
876 2 54 LEU QD 2 54 LEU HG 2.099 . 2.650 1.891 1.888 1.893 . 0 0 "[ . 1]" 1
877 1 53 ARG QB 1 54 LEU QD 2.109 . 2.665 2.107 2.020 2.164 . 0 0 "[ . 1]" 1
878 2 53 ARG QB 2 54 LEU QD 2.109 . 2.665 2.107 2.019 2.162 . 0 0 "[ . 1]" 1
879 1 37 VAL HB 1 37 VAL MG1 2.084 . 2.627 2.128 2.126 2.129 . 0 0 "[ . 1]" 1
880 2 37 VAL HB 2 37 VAL MG1 2.084 . 2.627 2.128 2.127 2.130 . 0 0 "[ . 1]" 1
881 1 63 LEU QD 2 37 VAL MG2 2.338 . 3.021 2.150 1.867 2.482 . 0 0 "[ . 1]" 1
882 1 37 VAL MG2 2 63 LEU QD 2.338 . 3.021 2.149 1.898 2.534 . 0 0 "[ . 1]" 1
883 1 63 LEU QD 2 37 VAL MG1 2.719 . 3.643 2.334 2.194 2.425 . 0 0 "[ . 1]" 1
884 1 37 VAL MG1 2 63 LEU QD 2.719 . 3.643 2.335 2.191 2.476 . 0 0 "[ . 1]" 1
885 1 54 LEU QD 2 37 VAL MG2 2.502 . 3.285 1.779 1.710 1.885 0.009 6 0 "[ . 1]" 1
886 1 37 VAL MG2 2 54 LEU QD 2.502 . 3.285 1.780 1.724 1.902 . 0 0 "[ . 1]" 1
887 1 49 PHE HB2 1 50 LEU H 3.116 . 4.330 3.969 3.910 4.031 . 0 0 "[ . 1]" 1
888 2 49 PHE HB2 2 50 LEU H 3.116 . 4.330 3.970 3.912 4.031 . 0 0 "[ . 1]" 1
889 1 55 LYS H 1 55 LYS HD2 3.275 . 4.615 4.142 2.445 4.659 0.044 3 0 "[ . 1]" 1
890 2 55 LYS H 2 55 LYS HD2 3.275 . 4.615 4.141 2.440 4.660 0.045 3 0 "[ . 1]" 1
891 1 55 LYS H 1 55 LYS HD3 3.265 . 4.597 3.432 2.989 4.416 . 0 0 "[ . 1]" 1
892 2 55 LYS H 2 55 LYS HD3 3.265 . 4.597 3.434 2.989 4.427 . 0 0 "[ . 1]" 1
893 1 68 LYS HG3 1 72 ARG H 3.476 . 4.986 4.974 4.869 5.065 0.079 3 0 "[ . 1]" 1
894 2 68 LYS HG3 2 72 ARG H 3.476 . 4.986 4.976 4.871 5.061 0.075 3 0 "[ . 1]" 1
895 1 68 LYS HG2 1 72 ARG H 4.241 . 6.489 4.327 4.163 4.430 . 0 0 "[ . 1]" 1
896 2 68 LYS HG2 2 72 ARG H 4.241 . 6.489 4.327 4.159 4.431 . 0 0 "[ . 1]" 1
897 1 72 ARG H 1 72 ARG HB2 2.483 . 3.253 2.400 2.298 2.494 . 0 0 "[ . 1]" 1
898 2 72 ARG H 2 72 ARG HB2 2.483 . 3.253 2.399 2.297 2.491 . 0 0 "[ . 1]" 1
899 1 71 TRP HA 1 72 ARG H 2.899 . 3.950 3.533 3.522 3.551 . 0 0 "[ . 1]" 1
900 2 71 TRP HA 2 72 ARG H 2.899 . 3.950 3.532 3.522 3.549 . 0 0 "[ . 1]" 1
901 1 71 TRP HB3 1 72 ARG H 2.958 . 4.051 2.670 2.599 2.762 . 0 0 "[ . 1]" 1
902 2 71 TRP HB3 2 72 ARG H 2.958 . 4.051 2.671 2.600 2.762 . 0 0 "[ . 1]" 1
903 1 38 ALA MB 1 71 TRP HE1 4.018 . 6.037 4.652 4.364 4.798 . 0 0 "[ . 1]" 1
904 2 38 ALA MB 2 71 TRP HE1 4.018 . 6.037 4.652 4.363 4.796 . 0 0 "[ . 1]" 1
905 1 37 VAL HB 1 71 TRP HE1 3.613 . 5.245 2.976 2.849 3.161 . 0 0 "[ . 1]" 1
906 2 37 VAL HB 2 71 TRP HE1 3.613 . 5.245 2.978 2.849 3.166 . 0 0 "[ . 1]" 1
907 1 71 TRP HE1 1 75 PHE HZ 2.740 . 3.679 2.829 2.379 3.216 . 0 0 "[ . 1]" 1
908 2 71 TRP HE1 2 75 PHE HZ 2.740 . 3.679 2.828 2.383 3.209 . 0 0 "[ . 1]" 1
909 1 71 TRP HE1 1 75 PHE QE 3.764 . 5.535 3.550 3.326 3.942 . 0 0 "[ . 1]" 1
910 2 71 TRP HE1 2 75 PHE QE 3.764 . 5.535 3.549 3.328 3.933 . 0 0 "[ . 1]" 1
911 1 34 GLU HG2 1 71 TRP HE1 4.175 . 6.353 4.137 2.917 5.217 . 0 0 "[ . 1]" 1
912 2 34 GLU HG2 2 71 TRP HE1 4.175 . 6.353 4.139 2.913 5.215 . 0 0 "[ . 1]" 1
913 1 34 GLU HB2 1 71 TRP HE1 4.237 . 6.481 4.976 4.577 5.378 . 0 0 "[ . 1]" 1
914 2 34 GLU HB2 2 71 TRP HE1 4.237 . 6.481 4.977 4.580 5.380 . 0 0 "[ . 1]" 1
915 1 42 PHE QE 1 43 TRP HE1 3.318 . 4.694 4.632 4.309 4.926 0.232 6 0 "[ . 1]" 1
916 2 42 PHE QE 2 43 TRP HE1 3.318 . 4.694 4.631 4.310 4.934 0.240 6 0 "[ . 1]" 1
917 1 42 PHE HB3 1 43 TRP HE1 3.804 . 5.613 4.381 4.314 4.441 . 0 0 "[ . 1]" 1
918 2 42 PHE HB3 2 43 TRP HE1 3.804 . 5.613 4.381 4.313 4.437 . 0 0 "[ . 1]" 1
919 1 43 TRP HE1 1 68 LYS HG2 3.725 . 5.460 4.581 4.473 4.650 . 0 0 "[ . 1]" 1
920 2 43 TRP HE1 2 68 LYS HG2 3.725 . 5.460 4.581 4.479 4.652 . 0 0 "[ . 1]" 1
921 1 43 TRP HE1 1 68 LYS HG3 3.948 . 5.896 3.004 2.895 3.098 . 0 0 "[ . 1]" 1
922 2 43 TRP HE1 2 68 LYS HG3 3.948 . 5.896 3.004 2.894 3.092 . 0 0 "[ . 1]" 1
923 1 43 TRP HE1 1 68 LYS HD2 3.849 . 5.700 4.100 3.836 4.275 . 0 0 "[ . 1]" 1
924 2 43 TRP HE1 2 68 LYS HD2 3.849 . 5.700 4.102 3.833 4.274 . 0 0 "[ . 1]" 1
925 1 38 ALA MB 1 43 TRP HE1 3.583 . 5.188 4.777 4.746 4.800 . 0 0 "[ . 1]" 1
926 2 38 ALA MB 2 43 TRP HE1 3.583 . 5.188 4.777 4.747 4.801 . 0 0 "[ . 1]" 1
927 1 37 VAL HB 1 43 TRP HE1 3.898 . 5.797 5.217 5.113 5.420 . 0 0 "[ . 1]" 1
928 2 37 VAL HB 2 43 TRP HE1 3.898 . 5.797 5.215 5.106 5.423 . 0 0 "[ . 1]" 1
929 1 72 ARG HA 1 75 PHE H 3.629 . 5.275 3.922 3.782 4.066 . 0 0 "[ . 1]" 1
930 2 72 ARG HA 2 75 PHE H 3.629 . 5.275 3.920 3.782 4.070 . 0 0 "[ . 1]" 1
931 1 75 PHE H 1 75 PHE HB3 2.780 . 3.746 3.668 3.623 3.698 . 0 0 "[ . 1]" 1
932 2 75 PHE H 2 75 PHE HB3 2.780 . 3.746 3.668 3.621 3.702 . 0 0 "[ . 1]" 1
933 1 75 PHE H 1 75 PHE HB2 2.668 . 3.558 2.504 2.415 2.578 . 0 0 "[ . 1]" 1
934 2 75 PHE H 2 75 PHE HB2 2.668 . 3.558 2.504 2.411 2.578 . 0 0 "[ . 1]" 1
935 1 74 SER HB2 1 75 PHE H 2.945 . 4.029 4.005 3.331 4.215 0.186 1 0 "[ . 1]" 1
936 2 74 SER HB2 2 75 PHE H 2.945 . 4.029 4.004 3.327 4.218 0.189 1 0 "[ . 1]" 1
937 1 74 SER H 1 75 PHE H 2.275 . 2.922 2.404 2.317 2.493 . 0 0 "[ . 1]" 1
938 2 74 SER H 2 75 PHE H 2.275 . 2.922 2.404 2.313 2.491 . 0 0 "[ . 1]" 1
939 1 72 ARG H 1 75 PHE H 4.086 . 6.172 5.514 5.407 5.594 . 0 0 "[ . 1]" 1
940 2 72 ARG H 2 75 PHE H 4.086 . 6.172 5.514 5.408 5.598 . 0 0 "[ . 1]" 1
941 1 72 ARG H 1 74 SER H 3.411 . 4.866 3.900 3.864 3.965 . 0 0 "[ . 1]" 1
942 2 72 ARG H 2 74 SER H 3.411 . 4.866 3.900 3.865 3.962 . 0 0 "[ . 1]" 1
943 1 71 TRP H 1 74 SER H 4.019 . 6.038 4.865 4.756 5.000 . 0 0 "[ . 1]" 1
944 2 71 TRP H 2 74 SER H 4.019 . 6.038 4.864 4.762 4.999 . 0 0 "[ . 1]" 1
945 1 38 ALA H 1 43 TRP HE1 4.031 . 6.062 5.126 5.055 5.219 . 0 0 "[ . 1]" 1
946 2 38 ALA H 2 43 TRP HE1 4.031 . 6.062 5.125 5.055 5.226 . 0 0 "[ . 1]" 1
947 1 42 PHE H 1 43 TRP HE1 4.266 . 6.541 6.151 6.093 6.201 . 0 0 "[ . 1]" 1
948 2 42 PHE H 2 43 TRP HE1 4.266 . 6.541 6.151 6.096 6.203 . 0 0 "[ . 1]" 1
949 1 41 ALA H 1 42 PHE H 2.706 . 3.621 2.764 2.731 2.811 . 0 0 "[ . 1]" 1
950 2 41 ALA H 2 42 PHE H 2.706 . 3.621 2.763 2.727 2.812 . 0 0 "[ . 1]" 1
951 1 37 VAL H 1 38 ALA H 2.639 . 3.510 2.477 2.435 2.516 . 0 0 "[ . 1]" 1
952 2 37 VAL H 2 38 ALA H 2.639 . 3.510 2.478 2.431 2.517 . 0 0 "[ . 1]" 1
953 1 36 VAL H 1 38 ALA H 3.462 . 4.960 3.855 3.804 3.987 . 0 0 "[ . 1]" 1
954 2 36 VAL H 2 38 ALA H 3.462 . 4.960 3.854 3.803 3.988 . 0 0 "[ . 1]" 1
955 1 35 SER H 1 38 ALA H 3.613 . 5.244 4.864 4.765 5.008 . 0 0 "[ . 1]" 1
956 2 35 SER H 2 38 ALA H 3.613 . 5.244 4.865 4.766 5.008 . 0 0 "[ . 1]" 1
957 1 54 LEU H 1 56 ASP H 3.338 . 4.731 4.092 4.056 4.148 . 0 0 "[ . 1]" 1
958 2 54 LEU H 2 56 ASP H 3.338 . 4.731 4.093 4.061 4.145 . 0 0 "[ . 1]" 1
959 1 54 LEU H 1 55 LYS H 2.563 . 3.384 2.383 2.316 2.462 . 0 0 "[ . 1]" 1
960 2 54 LEU H 2 55 LYS H 2.563 . 3.384 2.382 2.315 2.462 . 0 0 "[ . 1]" 1
961 1 35 SER H 1 37 VAL H 3.553 . 5.131 4.101 3.980 4.295 . 0 0 "[ . 1]" 1
962 2 35 SER H 2 37 VAL H 3.553 . 5.131 4.100 3.978 4.293 . 0 0 "[ . 1]" 1
963 1 52 GLN H 1 53 ARG H 2.641 . 3.513 2.749 2.680 2.818 . 0 0 "[ . 1]" 1
964 2 52 GLN H 2 53 ARG H 2.641 . 3.513 2.750 2.670 2.825 . 0 0 "[ . 1]" 1
965 1 39 THR H 1 42 PHE H 3.223 . 4.521 3.878 3.762 3.951 . 0 0 "[ . 1]" 1
966 2 39 THR H 2 42 PHE H 3.223 . 4.521 3.879 3.764 3.954 . 0 0 "[ . 1]" 1
967 1 65 VAL H 1 68 LYS H 3.954 . 5.908 4.578 4.546 4.639 . 0 0 "[ . 1]" 1
968 2 65 VAL H 2 68 LYS H 3.954 . 5.908 4.578 4.545 4.635 . 0 0 "[ . 1]" 1
969 1 51 GLU H 1 54 LEU H 3.895 . 5.791 4.698 4.665 4.729 . 0 0 "[ . 1]" 1
970 2 51 GLU H 2 54 LEU H 3.895 . 5.791 4.699 4.668 4.725 . 0 0 "[ . 1]" 1
971 1 53 ARG H 1 54 LEU H 2.661 . 3.546 2.565 2.492 2.626 . 0 0 "[ . 1]" 1
972 2 53 ARG H 2 54 LEU H 2.661 . 3.546 2.564 2.494 2.627 . 0 0 "[ . 1]" 1
973 1 74 SER H 1 74 SER HB2 2.381 . 3.090 2.552 2.448 2.634 . 0 0 "[ . 1]" 1
974 2 74 SER H 2 74 SER HB2 2.381 . 3.090 2.551 2.455 2.632 . 0 0 "[ . 1]" 1
975 1 72 ARG HA 1 74 SER H 3.400 . 4.845 3.679 3.623 3.785 . 0 0 "[ . 1]" 1
976 2 72 ARG HA 2 74 SER H 3.400 . 4.845 3.677 3.620 3.782 . 0 0 "[ . 1]" 1
977 1 74 SER H 1 75 PHE HB3 3.989 . 5.978 5.956 5.860 6.044 0.066 7 0 "[ . 1]" 1
978 2 74 SER H 2 75 PHE HB3 3.989 . 5.978 5.957 5.859 6.039 0.061 7 0 "[ . 1]" 1
979 1 74 SER H 1 75 PHE HB2 3.915 . 5.831 4.628 4.517 4.763 . 0 0 "[ . 1]" 1
980 2 74 SER H 2 75 PHE HB2 3.915 . 5.831 4.628 4.507 4.759 . 0 0 "[ . 1]" 1
981 1 72 ARG HB2 1 73 SER H 2.726 . 3.655 2.739 2.634 2.860 . 0 0 "[ . 1]" 1
982 2 72 ARG HB2 2 73 SER H 2.726 . 3.655 2.736 2.634 2.857 . 0 0 "[ . 1]" 1
983 1 72 ARG HD2 1 73 SER H 3.643 . 5.302 5.362 5.069 5.662 0.360 10 0 "[ . 1]" 1
984 2 72 ARG HD2 2 73 SER H 3.643 . 5.302 5.362 5.072 5.662 0.360 3 0 "[ . 1]" 1
985 1 73 SER H 1 73 SER HB2 2.363 . 3.061 2.502 2.478 2.529 . 0 0 "[ . 1]" 1
986 2 73 SER H 2 73 SER HB2 2.363 . 3.061 2.505 2.473 2.529 . 0 0 "[ . 1]" 1
987 1 71 TRP H 1 73 SER H 3.401 . 4.847 4.006 3.960 4.050 . 0 0 "[ . 1]" 1
988 2 71 TRP H 2 73 SER H 3.401 . 4.847 4.006 3.958 4.050 . 0 0 "[ . 1]" 1
989 1 43 TRP HZ2 1 72 ARG H 3.895 . 5.791 5.187 4.993 5.392 . 0 0 "[ . 1]" 1
990 2 43 TRP HZ2 2 72 ARG H 3.895 . 5.791 5.188 4.999 5.390 . 0 0 "[ . 1]" 1
991 1 72 ARG H 1 73 SER H 2.588 . 3.425 2.684 2.638 2.736 . 0 0 "[ . 1]" 1
992 2 72 ARG H 2 73 SER H 2.588 . 3.425 2.683 2.636 2.732 . 0 0 "[ . 1]" 1
993 1 50 LEU H 1 51 GLU H 2.775 . 3.738 2.621 2.608 2.632 . 0 0 "[ . 1]" 1
994 2 50 LEU H 2 51 GLU H 2.775 . 3.738 2.621 2.607 2.630 . 0 0 "[ . 1]" 1
995 1 51 GLU H 1 52 GLN H 2.736 . 3.672 2.696 2.657 2.744 . 0 0 "[ . 1]" 1
996 2 51 GLU H 2 52 GLN H 2.736 . 3.672 2.697 2.658 2.745 . 0 0 "[ . 1]" 1
997 1 71 TRP H 1 71 TRP HE3 3.425 . 4.891 4.394 4.314 4.447 . 0 0 "[ . 1]" 1
998 2 71 TRP H 2 71 TRP HE3 3.425 . 4.891 4.393 4.312 4.447 . 0 0 "[ . 1]" 1
999 1 71 TRP H 2 67 PHE QE 3.282 . 4.629 3.048 2.951 3.143 . 0 0 "[ . 1]" 1
1000 1 67 PHE QE 2 71 TRP H 3.282 . 4.629 3.050 2.936 3.140 . 0 0 "[ . 1]" 1
1001 1 71 TRP H 2 67 PHE QD 3.600 . 5.220 4.240 4.115 4.425 . 0 0 "[ . 1]" 1
1002 1 67 PHE QD 2 71 TRP H 3.600 . 5.220 4.241 4.146 4.432 . 0 0 "[ . 1]" 1
1003 1 71 TRP H 1 71 TRP HB2 2.599 . 3.443 2.683 2.635 2.743 . 0 0 "[ . 1]" 1
1004 2 71 TRP H 2 71 TRP HB2 2.599 . 3.443 2.683 2.634 2.740 . 0 0 "[ . 1]" 1
1005 1 71 TRP H 1 71 TRP HB3 2.588 . 3.425 2.332 2.302 2.350 . 0 0 "[ . 1]" 1
1006 2 71 TRP H 2 71 TRP HB3 2.588 . 3.425 2.331 2.300 2.352 . 0 0 "[ . 1]" 1
1007 1 67 PHE H 1 67 PHE HB2 2.808 . 3.794 2.455 2.437 2.474 . 0 0 "[ . 1]" 1
1008 2 67 PHE H 2 67 PHE HB2 2.808 . 3.794 2.455 2.439 2.475 . 0 0 "[ . 1]" 1
1009 1 67 PHE H 1 67 PHE HB3 2.933 . 4.008 3.591 3.581 3.598 . 0 0 "[ . 1]" 1
1010 2 67 PHE H 2 67 PHE HB3 2.933 . 4.008 3.592 3.584 3.599 . 0 0 "[ . 1]" 1
1011 1 66 LEU HB3 1 67 PHE H 2.388 . 3.101 2.400 2.356 2.439 . 0 0 "[ . 1]" 1
1012 2 66 LEU HB3 2 67 PHE H 2.388 . 3.101 2.403 2.359 2.439 . 0 0 "[ . 1]" 1
1013 1 66 LEU HG 1 67 PHE H 2.978 . 4.087 3.488 3.369 3.590 . 0 0 "[ . 1]" 1
1014 2 66 LEU HG 2 67 PHE H 2.978 . 4.087 3.488 3.369 3.593 . 0 0 "[ . 1]" 1
1015 1 51 GLU H 1 51 GLU HG3 2.735 . 3.670 2.397 2.330 2.491 . 0 0 "[ . 1]" 1
1016 2 51 GLU H 2 51 GLU HG3 2.735 . 3.670 2.397 2.332 2.500 . 0 0 "[ . 1]" 1
1017 1 51 GLU H 1 51 GLU HB2 2.516 . 3.308 2.403 2.358 2.427 . 0 0 "[ . 1]" 1
1018 2 51 GLU H 2 51 GLU HB2 2.516 . 3.308 2.405 2.361 2.430 . 0 0 "[ . 1]" 1
1019 1 51 GLU H 1 51 GLU HG2 2.674 . 3.568 3.548 3.474 3.651 0.083 6 0 "[ . 1]" 1
1020 2 51 GLU H 2 51 GLU HG2 2.674 . 3.568 3.550 3.477 3.643 0.075 6 0 "[ . 1]" 1
1021 1 51 GLU H 1 51 GLU HB3 2.828 . 3.828 3.575 3.556 3.585 . 0 0 "[ . 1]" 1
1022 2 51 GLU H 2 51 GLU HB3 2.828 . 3.828 3.576 3.555 3.587 . 0 0 "[ . 1]" 1
1023 1 70 ALA MB 1 71 TRP H 2.610 . 3.461 2.463 2.425 2.494 . 0 0 "[ . 1]" 1
1024 2 70 ALA MB 2 71 TRP H 2.610 . 3.461 2.464 2.425 2.495 . 0 0 "[ . 1]" 1
1025 1 51 GLU H 1 54 LEU QD 4.088 . 6.177 4.378 4.296 4.457 . 0 0 "[ . 1]" 1
1026 2 51 GLU H 2 54 LEU QD 4.088 . 6.177 4.379 4.297 4.459 . 0 0 "[ . 1]" 1
1027 1 51 GLU H 1 53 ARG H 3.597 . 5.214 4.193 4.121 4.241 . 0 0 "[ . 1]" 1
1028 2 51 GLU H 2 53 ARG H 3.597 . 5.214 4.194 4.127 4.241 . 0 0 "[ . 1]" 1
1029 1 45 ASP HB3 1 46 LEU H 2.935 . 4.012 3.466 2.657 3.624 . 0 0 "[ . 1]" 1
1030 2 45 ASP HB3 2 46 LEU H 2.935 . 4.012 3.466 2.657 3.630 . 0 0 "[ . 1]" 1
1031 1 45 ASP HB2 1 46 LEU H 2.992 . 4.111 2.898 2.702 3.591 . 0 0 "[ . 1]" 1
1032 2 45 ASP HB2 2 46 LEU H 2.992 . 4.111 2.896 2.698 3.586 . 0 0 "[ . 1]" 1
1033 1 46 LEU H 1 46 LEU HB2 2.741 . 3.680 2.249 2.211 2.285 . 0 0 "[ . 1]" 1
1034 2 46 LEU H 2 46 LEU HB2 2.741 . 3.680 2.249 2.213 2.293 . 0 0 "[ . 1]" 1
1035 1 46 LEU H 1 46 LEU MD1 3.419 . 4.880 4.277 4.252 4.294 . 0 0 "[ . 1]" 1
1036 2 46 LEU H 2 46 LEU MD1 3.419 . 4.880 4.278 4.249 4.297 . 0 0 "[ . 1]" 1
1037 1 46 LEU H 1 46 LEU HB3 2.716 . 3.638 2.697 2.630 2.756 . 0 0 "[ . 1]" 1
1038 2 46 LEU H 2 46 LEU HB3 2.716 . 3.638 2.697 2.629 2.757 . 0 0 "[ . 1]" 1
1039 1 45 ASP H 1 47 GLN HB3 3.973 . 5.946 5.333 5.235 5.480 . 0 0 "[ . 1]" 1
1040 2 45 ASP H 2 47 GLN HB3 3.973 . 5.946 5.332 5.235 5.478 . 0 0 "[ . 1]" 1
1041 1 41 ALA MB 1 45 ASP H 3.588 . 5.197 4.488 4.423 4.549 . 0 0 "[ . 1]" 1
1042 2 41 ALA MB 2 45 ASP H 3.588 . 5.197 4.489 4.423 4.549 . 0 0 "[ . 1]" 1
1043 1 69 GLU HB2 1 70 ALA H 2.752 . 3.699 2.807 2.738 2.877 . 0 0 "[ . 1]" 1
1044 2 69 GLU HB2 2 70 ALA H 2.752 . 3.699 2.811 2.752 2.876 . 0 0 "[ . 1]" 1
1045 1 70 ALA H 1 70 ALA MB 2.333 . 3.014 2.244 2.241 2.247 . 0 0 "[ . 1]" 1
1046 2 70 ALA H 2 70 ALA MB 2.333 . 3.014 2.244 2.241 2.250 . 0 0 "[ . 1]" 1
1047 1 49 PHE H 1 49 PHE HB3 2.526 . 3.323 2.376 2.363 2.391 . 0 0 "[ . 1]" 1
1048 2 49 PHE H 2 49 PHE HB3 2.526 . 3.323 2.377 2.364 2.394 . 0 0 "[ . 1]" 1
1049 1 49 PHE H 1 49 PHE HB2 2.544 . 3.353 2.723 2.665 2.770 . 0 0 "[ . 1]" 1
1050 2 49 PHE H 2 49 PHE HB2 2.544 . 3.353 2.724 2.669 2.774 . 0 0 "[ . 1]" 1
1051 1 49 PHE H 1 50 LEU MD1 3.557 . 5.139 3.993 3.915 4.061 . 0 0 "[ . 1]" 1
1052 2 49 PHE H 2 50 LEU MD1 3.557 . 5.139 3.993 3.913 4.063 . 0 0 "[ . 1]" 1
1053 1 43 TRP HA 1 46 LEU H 2.819 . 3.812 3.247 3.201 3.294 . 0 0 "[ . 1]" 1
1054 2 43 TRP HA 2 46 LEU H 2.819 . 3.812 3.247 3.202 3.293 . 0 0 "[ . 1]" 1
1055 1 45 ASP HA 1 49 PHE H 3.540 . 5.106 4.060 3.966 4.203 . 0 0 "[ . 1]" 1
1056 2 45 ASP HA 2 49 PHE H 3.540 . 5.106 4.058 3.968 4.204 . 0 0 "[ . 1]" 1
1057 1 68 LYS H 1 68 LYS HG2 3.450 . 4.938 4.496 4.476 4.510 . 0 0 "[ . 1]" 1
1058 2 68 LYS H 2 68 LYS HG2 3.450 . 4.938 4.496 4.477 4.508 . 0 0 "[ . 1]" 1
1059 1 65 VAL HA 1 68 LYS H 3.070 . 4.248 3.567 3.521 3.621 . 0 0 "[ . 1]" 1
1060 2 65 VAL HA 2 68 LYS H 3.070 . 4.248 3.566 3.520 3.622 . 0 0 "[ . 1]" 1
1061 1 67 PHE HB2 1 68 LYS H 3.049 . 4.211 2.714 2.684 2.746 . 0 0 "[ . 1]" 1
1062 2 67 PHE HB2 2 68 LYS H 3.049 . 4.211 2.712 2.685 2.744 . 0 0 "[ . 1]" 1
1063 1 43 TRP HA 1 44 ASP H 3.187 . 4.457 3.477 3.464 3.491 . 0 0 "[ . 1]" 1
1064 2 43 TRP HA 2 44 ASP H 3.187 . 4.457 3.477 3.462 3.491 . 0 0 "[ . 1]" 1
1065 1 56 ASP HB3 1 59 GLU H 2.904 . 3.958 3.254 3.101 3.374 . 0 0 "[ . 1]" 1
1066 2 56 ASP HB3 2 59 GLU H 2.904 . 3.958 3.255 3.102 3.380 . 0 0 "[ . 1]" 1
1067 1 58 ASP HB2 1 59 GLU H 2.728 . 3.658 3.149 2.461 3.862 0.204 1 0 "[ . 1]" 1
1068 2 58 ASP HB2 2 59 GLU H 2.728 . 3.658 3.146 2.460 3.857 0.199 1 0 "[ . 1]" 1
1069 1 44 ASP H 1 44 ASP HB2 2.512 . 3.300 2.634 2.593 2.714 . 0 0 "[ . 1]" 1
1070 2 44 ASP H 2 44 ASP HB2 2.512 . 3.300 2.632 2.580 2.712 . 0 0 "[ . 1]" 1
1071 1 68 LYS H 1 68 LYS HB2 2.650 . 3.528 2.507 2.484 2.544 . 0 0 "[ . 1]" 1
1072 2 68 LYS H 2 68 LYS HB2 2.650 . 3.528 2.507 2.482 2.545 . 0 0 "[ . 1]" 1
1073 1 59 GLU H 1 59 GLU HB2 2.477 . 3.244 2.370 2.228 2.457 . 0 0 "[ . 1]" 1
1074 2 59 GLU H 2 59 GLU HB2 2.477 . 3.244 2.371 2.229 2.459 . 0 0 "[ . 1]" 1
1075 1 59 GLU H 1 59 GLU HB3 2.510 . 3.298 2.697 2.603 2.875 . 0 0 "[ . 1]" 1
1076 2 59 GLU H 2 59 GLU HB3 2.510 . 3.298 2.695 2.600 2.869 . 0 0 "[ . 1]" 1
1077 1 65 VAL HA 1 66 LEU H 3.108 . 4.315 3.505 3.496 3.514 . 0 0 "[ . 1]" 1
1078 2 65 VAL HA 2 66 LEU H 3.108 . 4.315 3.506 3.497 3.516 . 0 0 "[ . 1]" 1
1079 1 65 VAL HB 1 66 LEU H 2.670 . 3.561 2.415 2.372 2.499 . 0 0 "[ . 1]" 1
1080 2 65 VAL HB 2 66 LEU H 2.670 . 3.561 2.412 2.372 2.494 . 0 0 "[ . 1]" 1
1081 1 66 LEU H 1 66 LEU HB3 2.250 . 2.883 2.426 2.381 2.471 . 0 0 "[ . 1]" 1
1082 2 66 LEU H 2 66 LEU HB3 2.250 . 2.883 2.427 2.387 2.475 . 0 0 "[ . 1]" 1
1083 1 68 LYS H 1 68 LYS HB3 2.590 . 3.428 2.622 2.605 2.652 . 0 0 "[ . 1]" 1
1084 2 68 LYS H 2 68 LYS HB3 2.590 . 3.428 2.623 2.605 2.652 . 0 0 "[ . 1]" 1
1085 1 43 TRP H 1 43 TRP HA 2.853 . 3.871 2.825 2.820 2.833 . 0 0 "[ . 1]" 1
1086 2 43 TRP H 2 43 TRP HA 2.853 . 3.871 2.826 2.822 2.832 . 0 0 "[ . 1]" 1
1087 1 42 PHE HB3 1 43 TRP H 2.874 . 3.907 2.424 2.368 2.519 . 0 0 "[ . 1]" 1
1088 2 42 PHE HB3 2 43 TRP H 2.874 . 3.907 2.424 2.369 2.515 . 0 0 "[ . 1]" 1
1089 1 47 GLN H 1 47 GLN HB3 2.585 . 3.420 2.459 2.403 2.558 . 0 0 "[ . 1]" 1
1090 2 47 GLN H 2 47 GLN HB3 2.585 . 3.420 2.460 2.406 2.562 . 0 0 "[ . 1]" 1
1091 1 46 LEU HB2 1 47 GLN H 3.016 . 4.153 3.602 3.545 3.650 . 0 0 "[ . 1]" 1
1092 2 46 LEU HB2 2 47 GLN H 3.016 . 4.153 3.600 3.545 3.650 . 0 0 "[ . 1]" 1
1093 1 64 ARG H 1 64 ARG HB2 2.570 . 3.396 2.414 2.348 2.561 . 0 0 "[ . 1]" 1
1094 2 64 ARG H 2 64 ARG HB2 2.570 . 3.396 2.415 2.346 2.564 . 0 0 "[ . 1]" 1
1095 1 64 ARG H 1 64 ARG HB3 2.623 . 3.483 2.678 2.462 2.727 . 0 0 "[ . 1]" 1
1096 2 64 ARG H 2 64 ARG HB3 2.623 . 3.483 2.678 2.463 2.726 . 0 0 "[ . 1]" 1
1097 1 63 LEU HB2 1 64 ARG H 2.922 . 3.990 2.756 2.671 2.808 . 0 0 "[ . 1]" 1
1098 2 63 LEU HB2 2 64 ARG H 2.922 . 3.990 2.756 2.678 2.804 . 0 0 "[ . 1]" 1
1099 1 63 LEU HB3 1 64 ARG H 3.117 . 4.332 3.570 3.485 3.682 . 0 0 "[ . 1]" 1
1100 2 63 LEU HB3 2 64 ARG H 3.117 . 4.332 3.570 3.490 3.683 . 0 0 "[ . 1]" 1
1101 1 46 LEU HB3 1 47 GLN H 3.178 . 4.440 2.382 2.359 2.404 . 0 0 "[ . 1]" 1
1102 2 46 LEU HB3 2 47 GLN H 3.178 . 4.440 2.380 2.356 2.405 . 0 0 "[ . 1]" 1
1103 1 47 GLN H 1 47 GLN HA 2.641 . 3.513 2.825 2.813 2.834 . 0 0 "[ . 1]" 1
1104 2 47 GLN H 2 47 GLN HA 2.641 . 3.513 2.824 2.811 2.833 . 0 0 "[ . 1]" 1
1105 1 59 GLU HB3 1 60 ALA H 2.808 . 3.794 2.807 2.598 2.936 . 0 0 "[ . 1]" 1
1106 2 59 GLU HB3 2 60 ALA H 2.808 . 3.794 2.805 2.598 2.934 . 0 0 "[ . 1]" 1
1107 1 47 GLN HA 1 50 LEU H 3.175 . 4.435 3.119 2.975 3.222 . 0 0 "[ . 1]" 1
1108 2 47 GLN HA 2 50 LEU H 3.175 . 4.435 3.119 2.978 3.226 . 0 0 "[ . 1]" 1
1109 1 49 PHE HB3 1 50 LEU H 2.877 . 3.911 2.677 2.605 2.756 . 0 0 "[ . 1]" 1
1110 2 49 PHE HB3 2 50 LEU H 2.877 . 3.911 2.679 2.606 2.758 . 0 0 "[ . 1]" 1
1111 1 50 LEU H 1 50 LEU MD2 2.973 . 4.078 3.580 3.499 3.689 . 0 0 "[ . 1]" 1
1112 2 50 LEU H 2 50 LEU MD2 2.973 . 4.078 3.580 3.503 3.689 . 0 0 "[ . 1]" 1
1113 1 39 THR HB 1 41 ALA H 2.478 . 3.245 2.629 2.534 2.693 . 0 0 "[ . 1]" 1
1114 2 39 THR HB 2 41 ALA H 2.478 . 3.245 2.630 2.545 2.697 . 0 0 "[ . 1]" 1
1115 1 40 GLU HA 1 41 ALA H 2.991 . 4.109 3.473 3.460 3.491 . 0 0 "[ . 1]" 1
1116 2 40 GLU HA 2 41 ALA H 2.991 . 4.109 3.473 3.460 3.490 . 0 0 "[ . 1]" 1
1117 1 62 LYS HA 1 63 LEU H 3.000 . 4.125 3.514 3.506 3.519 . 0 0 "[ . 1]" 1
1118 2 62 LYS HA 2 63 LEU H 3.000 . 4.125 3.515 3.509 3.521 . 0 0 "[ . 1]" 1
1119 1 62 LYS HB2 1 63 LEU H 2.608 . 3.458 2.707 2.613 2.776 . 0 0 "[ . 1]" 1
1120 2 62 LYS HB2 2 63 LEU H 2.608 . 3.458 2.706 2.611 2.772 . 0 0 "[ . 1]" 1
1121 1 63 LEU H 1 63 LEU HB2 2.458 . 3.213 2.347 2.326 2.398 . 0 0 "[ . 1]" 1
1122 2 63 LEU H 2 63 LEU HB2 2.458 . 3.213 2.346 2.323 2.395 . 0 0 "[ . 1]" 1
1123 1 61 ASN HA 1 62 LYS H 2.986 . 4.100 3.536 3.520 3.550 . 0 0 "[ . 1]" 1
1124 2 61 ASN HA 2 62 LYS H 2.986 . 4.100 3.536 3.518 3.552 . 0 0 "[ . 1]" 1
1125 1 68 LYS HA 1 69 GLU H 3.190 . 4.462 3.510 3.500 3.520 . 0 0 "[ . 1]" 1
1126 2 68 LYS HA 2 69 GLU H 3.190 . 4.462 3.510 3.502 3.523 . 0 0 "[ . 1]" 1
1127 1 61 ASN HB2 1 62 LYS H 2.791 . 3.765 3.715 3.578 3.762 . 0 0 "[ . 1]" 1
1128 2 61 ASN HB2 2 62 LYS H 2.791 . 3.765 3.714 3.570 3.763 . 0 0 "[ . 1]" 1
1129 1 61 ASN HB3 1 62 LYS H 2.950 . 4.038 2.461 2.400 2.591 . 0 0 "[ . 1]" 1
1130 2 61 ASN HB3 2 62 LYS H 2.950 . 4.038 2.458 2.395 2.584 . 0 0 "[ . 1]" 1
1131 1 69 GLU H 1 69 GLU HB2 2.492 . 3.268 2.462 2.396 2.510 . 0 0 "[ . 1]" 1
1132 2 69 GLU H 2 69 GLU HB2 2.492 . 3.268 2.463 2.395 2.513 . 0 0 "[ . 1]" 1
1133 1 62 LYS H 1 62 LYS HB2 2.410 . 3.136 2.417 2.323 2.570 . 0 0 "[ . 1]" 1
1134 2 62 LYS H 2 62 LYS HB2 2.410 . 3.136 2.416 2.312 2.572 . 0 0 "[ . 1]" 1
1135 1 68 LYS HB2 1 69 GLU H 2.855 . 3.874 3.970 3.919 4.003 0.129 9 0 "[ . 1]" 1
1136 2 68 LYS HB2 2 69 GLU H 2.855 . 3.874 3.969 3.916 4.008 0.134 9 0 "[ . 1]" 1
1137 1 50 LEU H 1 60 ALA MB 3.345 . 4.744 3.988 3.937 4.073 . 0 0 "[ . 1]" 1
1138 2 50 LEU H 2 60 ALA MB 3.345 . 4.744 3.988 3.939 4.074 . 0 0 "[ . 1]" 1
1139 1 59 GLU HA 1 63 LEU H 3.225 . 4.525 4.028 3.893 4.300 . 0 0 "[ . 1]" 1
1140 2 59 GLU HA 2 63 LEU H 3.225 . 4.525 4.028 3.894 4.302 . 0 0 "[ . 1]" 1
1141 1 52 GLN HB2 1 53 ARG H 2.863 . 3.887 2.539 2.437 2.630 . 0 0 "[ . 1]" 1
1142 2 52 GLN HB2 2 53 ARG H 2.863 . 3.887 2.541 2.437 2.630 . 0 0 "[ . 1]" 1
1143 1 53 ARG H 1 53 ARG QB 2.616 . 3.471 2.270 2.189 2.484 . 0 0 "[ . 1]" 1
1144 2 53 ARG H 2 53 ARG QB 2.616 . 3.471 2.270 2.188 2.483 . 0 0 "[ . 1]" 1
1145 1 62 LYS HA 1 65 VAL H 3.089 . 4.282 3.588 3.443 3.672 . 0 0 "[ . 1]" 1
1146 2 62 LYS HA 2 65 VAL H 3.089 . 4.282 3.590 3.447 3.666 . 0 0 "[ . 1]" 1
1147 1 64 ARG HA 1 65 VAL H 3.023 . 4.166 3.518 3.508 3.526 . 0 0 "[ . 1]" 1
1148 2 64 ARG HA 2 65 VAL H 3.023 . 4.166 3.518 3.508 3.525 . 0 0 "[ . 1]" 1
1149 1 65 VAL H 1 65 VAL HB 2.417 . 3.147 2.518 2.494 2.543 . 0 0 "[ . 1]" 1
1150 2 65 VAL H 2 65 VAL HB 2.417 . 3.147 2.519 2.499 2.540 . 0 0 "[ . 1]" 1
1151 1 52 GLN H 1 52 GLN HB2 2.420 . 3.152 2.508 2.412 2.569 . 0 0 "[ . 1]" 1
1152 2 52 GLN H 2 52 GLN HB2 2.420 . 3.152 2.508 2.412 2.574 . 0 0 "[ . 1]" 1
1153 1 65 VAL H 1 65 VAL MG2 2.493 . 3.270 2.184 2.146 2.214 . 0 0 "[ . 1]" 1
1154 2 65 VAL H 2 65 VAL MG2 2.493 . 3.270 2.182 2.148 2.214 . 0 0 "[ . 1]" 1
1155 1 38 ALA H 1 38 ALA MB 2.459 . 3.215 2.257 2.246 2.266 . 0 0 "[ . 1]" 1
1156 2 38 ALA H 2 38 ALA MB 2.459 . 3.215 2.257 2.245 2.269 . 0 0 "[ . 1]" 1
1157 1 37 VAL MG1 1 38 ALA H 3.320 . 4.698 3.895 3.818 3.961 . 0 0 "[ . 1]" 1
1158 2 37 VAL MG1 2 38 ALA H 3.320 . 4.698 3.896 3.820 3.964 . 0 0 "[ . 1]" 1
1159 1 37 VAL MG2 1 38 ALA H 3.272 . 4.611 3.849 3.819 3.883 . 0 0 "[ . 1]" 1
1160 2 37 VAL MG2 2 38 ALA H 3.272 . 4.611 3.850 3.819 3.888 . 0 0 "[ . 1]" 1
1161 1 41 ALA HA 1 42 PHE H 3.317 . 4.693 3.544 3.532 3.559 . 0 0 "[ . 1]" 1
1162 2 41 ALA HA 2 42 PHE H 3.317 . 4.693 3.543 3.533 3.558 . 0 0 "[ . 1]" 1
1163 1 42 PHE H 1 42 PHE HB3 2.526 . 3.324 2.409 2.352 2.438 . 0 0 "[ . 1]" 1
1164 2 42 PHE H 2 42 PHE HB3 2.526 . 3.324 2.409 2.352 2.438 . 0 0 "[ . 1]" 1
1165 1 42 PHE H 1 42 PHE HB2 2.563 . 3.384 2.717 2.678 2.791 . 0 0 "[ . 1]" 1
1166 2 42 PHE H 2 42 PHE HB2 2.563 . 3.384 2.717 2.679 2.790 . 0 0 "[ . 1]" 1
1167 1 34 GLU HB3 1 35 SER H 3.000 . 4.125 2.475 1.885 3.645 . 0 0 "[ . 1]" 1
1168 2 34 GLU HB3 2 35 SER H 3.000 . 4.125 2.474 1.891 3.641 . 0 0 "[ . 1]" 1
1169 1 35 SER H 1 38 ALA MB 3.432 . 4.904 4.733 4.616 4.836 . 0 0 "[ . 1]" 1
1170 2 35 SER H 2 38 ALA MB 3.432 . 4.904 4.732 4.606 4.830 . 0 0 "[ . 1]" 1
1171 1 32 SER H 1 32 SER HB2 2.744 . 3.685 3.216 2.592 3.581 . 0 0 "[ . 1]" 1
1172 2 32 SER H 2 32 SER HB2 2.744 . 3.685 3.217 2.587 3.579 . 0 0 "[ . 1]" 1
1173 1 50 LEU HA 1 54 LEU H 3.299 . 4.660 3.455 3.326 3.722 . 0 0 "[ . 1]" 1
1174 2 50 LEU HA 2 54 LEU H 3.299 . 4.660 3.457 3.328 3.728 . 0 0 "[ . 1]" 1
1175 1 54 LEU H 1 54 LEU HB2 2.757 . 3.707 2.289 2.273 2.306 . 0 0 "[ . 1]" 1
1176 2 54 LEU H 2 54 LEU HB2 2.757 . 3.707 2.290 2.276 2.309 . 0 0 "[ . 1]" 1
1177 1 53 ARG QB 1 54 LEU H 2.594 . 3.435 2.458 2.312 2.628 . 0 0 "[ . 1]" 1
1178 2 53 ARG QB 2 54 LEU H 2.594 . 3.435 2.458 2.316 2.627 . 0 0 "[ . 1]" 1
1179 1 31 PRO QB 1 32 SER H 3.403 . 4.851 2.987 2.355 3.940 . 0 0 "[ . 1]" 1
1180 2 31 PRO QB 2 32 SER H 3.403 . 4.851 2.987 2.360 3.940 . 0 0 "[ . 1]" 1
1181 1 60 ALA HA 1 61 ASN H 3.220 . 4.516 3.500 3.470 3.518 . 0 0 "[ . 1]" 1
1182 2 60 ALA HA 2 61 ASN H 3.220 . 4.516 3.499 3.470 3.520 . 0 0 "[ . 1]" 1
1183 1 56 ASP H 1 56 ASP HB3 2.719 . 3.643 3.021 2.967 3.109 . 0 0 "[ . 1]" 1
1184 2 56 ASP H 2 56 ASP HB3 2.719 . 3.643 3.020 2.967 3.109 . 0 0 "[ . 1]" 1
1185 1 54 LEU HB2 1 56 ASP H 3.014 . 4.150 3.044 2.954 3.201 . 0 0 "[ . 1]" 1
1186 2 54 LEU HB2 2 56 ASP H 3.014 . 4.150 3.045 2.957 3.201 . 0 0 "[ . 1]" 1
1187 1 34 GLU H 1 34 GLU HB2 3.077 . 4.260 3.078 2.398 3.490 . 0 0 "[ . 1]" 1
1188 2 34 GLU H 2 34 GLU HB2 3.077 . 4.260 3.077 2.396 3.487 . 0 0 "[ . 1]" 1
1189 1 36 VAL H 1 36 VAL MG2 2.975 . 4.081 3.795 3.776 3.821 . 0 0 "[ . 1]" 1
1190 2 36 VAL H 2 36 VAL MG2 2.975 . 4.081 3.795 3.773 3.823 . 0 0 "[ . 1]" 1
1191 1 57 TYR H 1 57 TYR HB3 2.544 . 3.353 2.388 2.257 2.488 . 0 0 "[ . 1]" 1
1192 2 57 TYR H 2 57 TYR HB3 2.544 . 3.353 2.390 2.261 2.494 . 0 0 "[ . 1]" 1
1193 1 57 TYR H 1 57 TYR HB2 2.572 . 3.399 2.656 2.540 2.734 . 0 0 "[ . 1]" 1
1194 2 57 TYR H 2 57 TYR HB2 2.572 . 3.399 2.656 2.540 2.734 . 0 0 "[ . 1]" 1
1195 1 56 ASP HB3 1 57 TYR H 3.044 . 4.202 4.236 4.150 4.295 0.093 6 0 "[ . 1]" 1
1196 2 56 ASP HB3 2 57 TYR H 3.044 . 4.202 4.238 4.153 4.293 0.091 6 0 "[ . 1]" 1
1197 1 51 GLU HG2 1 57 TYR H 3.765 . 5.537 4.417 4.221 4.521 . 0 0 "[ . 1]" 1
1198 2 51 GLU HG2 2 57 TYR H 3.765 . 5.537 4.415 4.207 4.520 . 0 0 "[ . 1]" 1
1199 1 56 ASP H 1 57 TYR H 3.314 . 4.687 3.921 3.830 3.979 . 0 0 "[ . 1]" 1
1200 2 56 ASP H 2 57 TYR H 3.314 . 4.687 3.920 3.815 3.972 . 0 0 "[ . 1]" 1
1201 1 48 GLY H 1 48 GLY HA2 2.507 . 3.292 2.802 2.794 2.810 . 0 0 "[ . 1]" 1
1202 2 48 GLY H 2 48 GLY HA2 2.507 . 3.292 2.802 2.792 2.816 . 0 0 "[ . 1]" 1
1203 1 47 GLN HB3 1 48 GLY H 2.857 . 3.878 2.795 2.703 2.914 . 0 0 "[ . 1]" 1
1204 2 47 GLN HB3 2 48 GLY H 2.857 . 3.878 2.795 2.703 2.909 . 0 0 "[ . 1]" 1
1205 1 46 LEU HB2 1 48 GLY H 3.827 . 5.658 5.449 5.330 5.546 . 0 0 "[ . 1]" 1
1206 2 46 LEU HB2 2 48 GLY H 3.827 . 5.658 5.450 5.335 5.549 . 0 0 "[ . 1]" 1
1207 1 57 TYR H 1 60 ALA MB 3.870 . 5.742 4.464 4.354 4.615 . 0 0 "[ . 1]" 1
1208 2 57 TYR H 2 60 ALA MB 3.870 . 5.742 4.465 4.346 4.611 . 0 0 "[ . 1]" 1
1209 1 57 TYR H 1 57 TYR QD 3.339 . 4.733 4.158 4.078 4.208 . 0 0 "[ . 1]" 1
1210 2 57 TYR H 2 57 TYR QD 3.339 . 4.733 4.158 4.082 4.213 . 0 0 "[ . 1]" 1
1211 1 57 TYR H 1 60 ALA H 3.852 . 5.706 4.759 4.696 4.822 . 0 0 "[ . 1]" 1
1212 2 57 TYR H 2 60 ALA H 3.852 . 5.706 4.761 4.692 4.832 . 0 0 "[ . 1]" 1
1213 1 57 TYR H 1 59 GLU H 3.604 . 5.228 4.468 4.262 4.566 . 0 0 "[ . 1]" 1
1214 2 57 TYR H 2 59 GLU H 3.604 . 5.228 4.469 4.266 4.568 . 0 0 "[ . 1]" 1
1215 1 43 TRP H 1 43 TRP HD1 2.957 . 4.050 2.886 2.849 2.929 . 0 0 "[ . 1]" 1
1216 2 43 TRP H 2 43 TRP HD1 2.957 . 4.050 2.887 2.850 2.928 . 0 0 "[ . 1]" 1
1217 1 57 TYR QD 1 58 ASP H 3.274 . 4.614 3.489 3.177 3.709 . 0 0 "[ . 1]" 1
1218 2 57 TYR QD 2 58 ASP H 3.274 . 4.614 3.488 3.181 3.708 . 0 0 "[ . 1]" 1
1219 1 57 TYR H 1 58 ASP H 2.547 . 3.358 2.604 2.565 2.666 . 0 0 "[ . 1]" 1
1220 2 57 TYR H 2 58 ASP H 2.547 . 3.358 2.606 2.561 2.664 . 0 0 "[ . 1]" 1
1221 1 36 VAL H 1 37 VAL H 2.584 . 3.419 2.477 2.314 2.617 . 0 0 "[ . 1]" 1
1222 2 36 VAL H 2 37 VAL H 2.584 . 3.419 2.475 2.309 2.614 . 0 0 "[ . 1]" 1
1223 1 67 PHE H 1 67 PHE QD 2.952 . 4.041 2.769 2.699 2.849 . 0 0 "[ . 1]" 1
1224 2 67 PHE H 2 67 PHE QD 2.952 . 4.041 2.769 2.695 2.844 . 0 0 "[ . 1]" 1
1225 1 49 PHE QD 1 50 LEU H 3.168 . 4.423 3.434 3.283 3.584 . 0 0 "[ . 1]" 1
1226 2 49 PHE QD 2 50 LEU H 3.168 . 4.423 3.435 3.285 3.589 . 0 0 "[ . 1]" 1
1227 1 50 LEU H 1 52 GLN H 3.650 . 5.315 4.194 4.155 4.249 . 0 0 "[ . 1]" 1
1228 2 50 LEU H 2 52 GLN H 3.650 . 5.315 4.195 4.150 4.241 . 0 0 "[ . 1]" 1
1229 1 66 LEU H 1 67 PHE H 2.681 . 3.579 2.763 2.727 2.789 . 0 0 "[ . 1]" 1
1230 2 66 LEU H 2 67 PHE H 2.681 . 3.579 2.765 2.730 2.792 . 0 0 "[ . 1]" 1
1231 1 67 PHE H 1 68 LYS H 2.679 . 3.576 2.612 2.579 2.638 . 0 0 "[ . 1]" 1
1232 2 67 PHE H 2 68 LYS H 2.679 . 3.576 2.610 2.578 2.638 . 0 0 "[ . 1]" 1
1233 1 59 GLU H 1 60 ALA H 2.490 . 3.265 2.521 2.494 2.602 . 0 0 "[ . 1]" 1
1234 2 59 GLU H 2 60 ALA H 2.490 . 3.265 2.518 2.487 2.597 . 0 0 "[ . 1]" 1
1235 1 69 GLU H 1 71 TRP H 3.436 . 4.912 3.900 3.848 3.970 . 0 0 "[ . 1]" 1
1236 2 69 GLU H 2 71 TRP H 3.436 . 4.912 3.900 3.852 3.967 . 0 0 "[ . 1]" 1
1237 1 67 PHE H 1 69 GLU H 3.529 . 5.085 4.045 4.002 4.090 . 0 0 "[ . 1]" 1
1238 2 67 PHE H 2 69 GLU H 3.529 . 5.085 4.046 3.996 4.094 . 0 0 "[ . 1]" 1
1239 1 69 GLU H 1 72 ARG H 3.674 . 5.361 4.479 4.413 4.523 . 0 0 "[ . 1]" 1
1240 2 69 GLU H 2 72 ARG H 3.674 . 5.361 4.478 4.409 4.524 . 0 0 "[ . 1]" 1
1241 1 42 PHE QE 1 43 TRP H 3.435 . 4.910 5.059 5.021 5.114 0.204 8 0 "[ . 1]" 1
1242 2 42 PHE QE 2 43 TRP H 3.435 . 4.910 5.060 5.019 5.115 0.205 8 0 "[ . 1]" 1
1243 1 57 TYR HB3 1 58 ASP H 2.739 . 3.676 2.781 2.692 2.860 . 0 0 "[ . 1]" 1
1244 2 57 TYR HB3 2 58 ASP H 2.739 . 3.676 2.781 2.684 2.860 . 0 0 "[ . 1]" 1
1245 1 58 ASP H 1 58 ASP HB2 2.367 . 3.068 2.498 2.352 2.675 . 0 0 "[ . 1]" 1
1246 2 58 ASP H 2 58 ASP HB2 2.367 . 3.068 2.498 2.361 2.665 . 0 0 "[ . 1]" 1
1247 1 48 GLY HA2 1 51 GLU H 3.135 . 4.364 3.364 3.244 3.462 . 0 0 "[ . 1]" 1
1248 2 48 GLY HA2 2 51 GLU H 3.135 . 4.364 3.362 3.239 3.464 . 0 0 "[ . 1]" 1
1249 1 53 ARG H 1 53 ARG HD3 3.769 . 5.545 4.104 3.556 4.437 . 0 0 "[ . 1]" 1
1250 2 53 ARG H 2 53 ARG HD3 3.769 . 5.545 4.103 3.556 4.442 . 0 0 "[ . 1]" 1
1251 1 53 ARG H 1 53 ARG HD2 3.722 . 5.454 4.682 4.412 4.878 . 0 0 "[ . 1]" 1
1252 2 53 ARG H 2 53 ARG HD2 3.722 . 5.454 4.682 4.420 4.876 . 0 0 "[ . 1]" 1
1253 1 52 GLN HG2 1 53 ARG H 3.623 . 5.264 4.935 4.856 4.994 . 0 0 "[ . 1]" 1
1254 2 52 GLN HG2 2 53 ARG H 3.623 . 5.264 4.937 4.860 5.000 . 0 0 "[ . 1]" 1
1255 1 61 ASN HA 1 65 VAL H 3.570 . 5.163 4.253 4.118 4.340 . 0 0 "[ . 1]" 1
1256 2 61 ASN HA 2 65 VAL H 3.570 . 5.163 4.252 4.124 4.338 . 0 0 "[ . 1]" 1
1257 1 65 VAL H 1 66 LEU HA 3.791 . 5.587 5.107 5.082 5.128 . 0 0 "[ . 1]" 1
1258 2 65 VAL H 2 66 LEU HA 3.791 . 5.587 5.107 5.082 5.125 . 0 0 "[ . 1]" 1
1259 1 55 LYS H 1 56 ASP H 2.758 . 3.709 2.692 2.621 2.756 . 0 0 "[ . 1]" 1
1260 2 55 LYS H 2 56 ASP H 2.758 . 3.709 2.691 2.626 2.751 . 0 0 "[ . 1]" 1
1261 1 68 LYS HG2 1 69 GLU H 3.862 . 5.726 4.081 3.973 4.192 . 0 0 "[ . 1]" 1
1262 2 68 LYS HG2 2 69 GLU H 3.862 . 5.726 4.079 3.980 4.193 . 0 0 "[ . 1]" 1
1263 1 54 LEU QD 1 59 GLU H 3.932 . 5.865 4.466 4.291 4.756 . 0 0 "[ . 1]" 1
1264 2 54 LEU QD 2 59 GLU H 3.932 . 5.865 4.465 4.293 4.758 . 0 0 "[ . 1]" 1
1265 1 39 THR H 1 40 GLU H 3.347 . 4.748 4.452 4.414 4.488 . 0 0 "[ . 1]" 1
1266 2 39 THR H 2 40 GLU H 3.347 . 4.748 4.452 4.413 4.488 . 0 0 "[ . 1]" 1
1267 1 40 GLU H 1 42 PHE H 3.680 . 5.373 4.152 4.091 4.238 . 0 0 "[ . 1]" 1
1268 2 40 GLU H 2 42 PHE H 3.680 . 5.373 4.150 4.085 4.237 . 0 0 "[ . 1]" 1
1269 1 40 GLU H 1 43 TRP H 4.118 . 6.238 5.115 4.984 5.275 . 0 0 "[ . 1]" 1
1270 2 40 GLU H 2 43 TRP H 4.118 . 6.238 5.114 4.985 5.275 . 0 0 "[ . 1]" 1
1271 1 42 PHE H 1 44 ASP H 3.335 . 4.725 3.883 3.836 3.938 . 0 0 "[ . 1]" 1
1272 2 42 PHE H 2 44 ASP H 3.335 . 4.725 3.882 3.841 3.937 . 0 0 "[ . 1]" 1
1273 1 43 TRP H 1 44 ASP H 2.610 . 3.462 2.589 2.539 2.629 . 0 0 "[ . 1]" 1
1274 2 43 TRP H 2 44 ASP H 2.610 . 3.462 2.589 2.537 2.629 . 0 0 "[ . 1]" 1
1275 1 37 VAL H 1 42 PHE QE 4.013 . 6.026 5.496 5.305 5.839 . 0 0 "[ . 1]" 1
1276 2 37 VAL H 2 42 PHE QE 4.013 . 6.026 5.497 5.307 5.843 . 0 0 "[ . 1]" 1
1277 1 66 LEU H 1 67 PHE HB2 3.852 . 5.707 4.901 4.875 4.936 . 0 0 "[ . 1]" 1
1278 2 66 LEU H 2 67 PHE HB2 3.852 . 5.707 4.903 4.884 4.939 . 0 0 "[ . 1]" 1
1279 1 62 LYS H 1 65 VAL MG2 3.844 . 5.691 4.536 4.432 4.670 . 0 0 "[ . 1]" 1
1280 2 62 LYS H 2 65 VAL MG2 3.844 . 5.691 4.534 4.421 4.670 . 0 0 "[ . 1]" 1
1281 1 35 SER H 1 37 VAL HB 3.980 . 5.960 5.243 5.145 5.395 . 0 0 "[ . 1]" 1
1282 2 35 SER H 2 37 VAL HB 3.980 . 5.960 5.241 5.147 5.395 . 0 0 "[ . 1]" 1
1283 1 35 SER H 1 36 VAL MG1 3.821 . 5.646 4.101 3.861 4.443 . 0 0 "[ . 1]" 1
1284 2 35 SER H 2 36 VAL MG1 3.821 . 5.646 4.100 3.858 4.438 . 0 0 "[ . 1]" 1
1285 1 61 ASN H 1 61 ASN HD22 3.890 . 5.781 5.642 5.613 5.667 . 0 0 "[ . 1]" 1
1286 2 61 ASN H 2 61 ASN HD22 3.890 . 5.781 5.645 5.613 5.672 . 0 0 "[ . 1]" 1
1287 1 47 GLN HE22 1 61 ASN H 3.342 . 4.738 4.315 4.071 4.603 . 0 0 "[ . 1]" 1
1288 2 47 GLN HE22 2 61 ASN H 3.342 . 4.738 4.314 4.067 4.608 . 0 0 "[ . 1]" 1
1289 1 41 ALA H 1 43 TRP H 3.640 . 5.296 4.428 4.298 4.540 . 0 0 "[ . 1]" 1
1290 2 41 ALA H 2 43 TRP H 3.640 . 5.296 4.426 4.305 4.538 . 0 0 "[ . 1]" 1
1291 1 56 ASP H 1 60 ALA H 3.874 . 5.750 4.805 4.665 4.963 . 0 0 "[ . 1]" 1
1292 2 56 ASP H 2 60 ALA H 3.874 . 5.750 4.805 4.666 4.966 . 0 0 "[ . 1]" 1
1293 1 56 ASP H 1 59 GLU H 3.998 . 5.996 5.467 5.387 5.579 . 0 0 "[ . 1]" 1
1294 2 56 ASP H 2 59 GLU H 3.998 . 5.996 5.466 5.383 5.579 . 0 0 "[ . 1]" 1
1295 1 43 TRP H 1 43 TRP HE1 3.648 . 5.311 4.704 4.671 4.745 . 0 0 "[ . 1]" 1
1296 2 43 TRP H 2 43 TRP HE1 3.648 . 5.311 4.705 4.673 4.748 . 0 0 "[ . 1]" 1
1297 1 41 ALA HA 1 43 TRP H 3.834 . 5.671 4.644 4.553 4.709 . 0 0 "[ . 1]" 1
1298 2 41 ALA HA 2 43 TRP H 3.834 . 5.671 4.642 4.557 4.706 . 0 0 "[ . 1]" 1
1299 1 54 LEU HB2 1 55 LYS H 3.062 . 4.234 3.103 3.070 3.145 . 0 0 "[ . 1]" 1
1300 2 54 LEU HB2 2 55 LYS H 3.062 . 4.234 3.102 3.066 3.146 . 0 0 "[ . 1]" 1
1301 1 55 LYS H 1 55 LYS QG 2.760 . 3.712 3.091 2.763 4.430 0.718 5 1 "[ + 1]" 1
1302 2 55 LYS H 2 55 LYS QG 2.760 . 3.712 3.092 2.765 4.430 0.718 5 1 "[ + 1]" 1
1303 1 53 ARG H 1 55 LYS H 3.394 . 4.834 3.795 3.714 3.863 . 0 0 "[ . 1]" 1
1304 2 53 ARG H 2 55 LYS H 3.394 . 4.834 3.794 3.717 3.861 . 0 0 "[ . 1]" 1
1305 1 54 LEU QD 1 55 LYS H 3.936 . 5.638 3.888 3.841 3.930 . 0 0 "[ . 1]" 1
1306 2 54 LEU QD 2 55 LYS H 3.936 . 5.638 3.888 3.842 3.931 . 0 0 "[ . 1]" 1
1307 1 43 TRP HZ3 1 68 LYS H 3.359 . 4.769 3.661 3.617 3.725 . 0 0 "[ . 1]" 1
1308 2 43 TRP HZ3 2 68 LYS H 3.359 . 4.769 3.659 3.622 3.723 . 0 0 "[ . 1]" 1
1309 1 67 PHE QD 1 68 LYS H 3.342 . 4.738 4.427 4.414 4.437 . 0 0 "[ . 1]" 1
1310 2 67 PHE QD 2 68 LYS H 3.342 . 4.738 4.425 4.412 4.438 . 0 0 "[ . 1]" 1
1311 1 59 GLU H 1 61 ASN H 3.181 . 4.446 4.081 3.837 4.239 . 0 0 "[ . 1]" 1
1312 2 59 GLU H 2 61 ASN H 3.181 . 4.446 4.078 3.844 4.238 . 0 0 "[ . 1]" 1
1313 1 49 PHE H 1 49 PHE QD 3.086 . 4.277 4.150 4.140 4.159 . 0 0 "[ . 1]" 1
1314 2 49 PHE H 2 49 PHE QD 3.086 . 4.277 4.151 4.141 4.161 . 0 0 "[ . 1]" 1
1315 1 49 PHE H 1 52 GLN H 3.719 . 5.447 4.762 4.726 4.797 . 0 0 "[ . 1]" 1
1316 2 49 PHE H 2 52 GLN H 3.719 . 5.447 4.764 4.726 4.800 . 0 0 "[ . 1]" 1
1317 1 49 PHE H 1 51 GLU H 3.479 . 4.992 3.998 3.917 4.149 . 0 0 "[ . 1]" 1
1318 2 49 PHE H 2 51 GLU H 3.479 . 4.992 3.998 3.918 4.145 . 0 0 "[ . 1]" 1
1319 1 49 PHE H 1 50 LEU H 2.601 . 3.447 2.504 2.482 2.521 . 0 0 "[ . 1]" 1
1320 2 49 PHE H 2 50 LEU H 2.601 . 3.447 2.503 2.488 2.516 . 0 0 "[ . 1]" 1
1321 1 46 LEU H 2 49 PHE HZ 3.509 . 5.048 3.385 3.165 3.683 . 0 0 "[ . 1]" 1
1322 1 49 PHE HZ 2 46 LEU H 3.509 . 5.048 3.384 3.142 3.692 . 0 0 "[ . 1]" 1
1323 1 45 ASP H 2 49 PHE HZ 3.643 . 5.302 4.276 4.049 4.447 . 0 0 "[ . 1]" 1
1324 1 49 PHE HZ 2 45 ASP H 3.643 . 5.302 4.275 4.041 4.443 . 0 0 "[ . 1]" 1
1325 1 42 PHE H 1 46 LEU H 4.050 . 6.101 5.845 5.806 5.880 . 0 0 "[ . 1]" 1
1326 2 42 PHE H 2 46 LEU H 4.050 . 6.101 5.844 5.803 5.882 . 0 0 "[ . 1]" 1
1327 1 42 PHE H 1 45 ASP H 3.816 . 5.636 4.791 4.698 4.859 . 0 0 "[ . 1]" 1
1328 2 42 PHE H 2 45 ASP H 3.816 . 5.636 4.791 4.703 4.860 . 0 0 "[ . 1]" 1
1329 1 46 LEU H 1 49 PHE H 3.926 . 5.852 4.687 4.660 4.718 . 0 0 "[ . 1]" 1
1330 2 46 LEU H 2 49 PHE H 3.926 . 5.852 4.686 4.659 4.718 . 0 0 "[ . 1]" 1
1331 1 70 ALA H 1 73 SER H 3.672 . 5.357 4.575 4.542 4.626 . 0 0 "[ . 1]" 1
1332 2 70 ALA H 2 73 SER H 3.672 . 5.357 4.573 4.543 4.624 . 0 0 "[ . 1]" 1
1333 1 70 ALA H 2 67 PHE QE 3.931 . 5.862 4.825 4.708 4.934 . 0 0 "[ . 1]" 1
1334 1 67 PHE QE 2 70 ALA H 3.931 . 5.862 4.824 4.708 4.927 . 0 0 "[ . 1]" 1
1335 1 46 LEU H 1 48 GLY H 3.726 . 5.461 3.870 3.778 3.948 . 0 0 "[ . 1]" 1
1336 2 46 LEU H 2 48 GLY H 3.726 . 5.461 3.871 3.782 3.954 . 0 0 "[ . 1]" 1
1337 1 70 ALA H 1 72 ARG H 3.199 . 4.478 3.884 3.831 3.934 . 0 0 "[ . 1]" 1
1338 2 70 ALA H 2 72 ARG H 3.199 . 4.478 3.883 3.829 3.929 . 0 0 "[ . 1]" 1
1339 1 70 ALA H 1 71 TRP H 2.506 . 3.291 2.517 2.479 2.562 . 0 0 "[ . 1]" 1
1340 2 70 ALA H 2 71 TRP H 2.506 . 3.291 2.516 2.478 2.566 . 0 0 "[ . 1]" 1
1341 1 40 GLU H 1 41 ALA H 2.581 . 3.413 2.505 2.472 2.549 . 0 0 "[ . 1]" 1
1342 2 40 GLU H 2 41 ALA H 2.581 . 3.413 2.502 2.460 2.548 . 0 0 "[ . 1]" 1
1343 1 66 LEU H 1 67 PHE QD 4.027 . 6.054 4.932 4.876 4.961 . 0 0 "[ . 1]" 1
1344 2 66 LEU H 2 67 PHE QD 4.027 . 6.054 4.933 4.881 4.968 . 0 0 "[ . 1]" 1
1345 1 40 GLU QB 1 43 TRP H 4.133 . 6.269 4.977 4.838 5.069 . 0 0 "[ . 1]" 1
1346 2 40 GLU QB 2 43 TRP H 4.133 . 6.269 4.978 4.844 5.073 . 0 0 "[ . 1]" 1
1347 1 43 TRP H 1 46 LEU HB2 3.982 . 5.964 4.641 4.560 4.719 . 0 0 "[ . 1]" 1
1348 2 43 TRP H 2 46 LEU HB2 3.982 . 5.964 4.640 4.562 4.715 . 0 0 "[ . 1]" 1
1349 1 41 ALA HA 1 45 ASP H 3.255 . 4.580 3.948 3.846 4.022 . 0 0 "[ . 1]" 1
1350 2 41 ALA HA 2 45 ASP H 3.255 . 4.580 3.948 3.842 4.022 . 0 0 "[ . 1]" 1
1351 1 67 PHE HA 1 70 ALA H 3.088 . 4.280 3.289 3.261 3.336 . 0 0 "[ . 1]" 1
1352 2 67 PHE HA 2 70 ALA H 3.088 . 4.280 3.289 3.263 3.334 . 0 0 "[ . 1]" 1
1353 1 36 VAL H 2 54 LEU QD 3.752 . 5.512 4.713 4.416 5.172 . 0 0 "[ . 1]" 1
1354 1 54 LEU QD 2 36 VAL H 3.752 . 5.512 4.711 4.426 5.139 . 0 0 "[ . 1]" 1
1355 1 67 PHE HB2 1 69 GLU H 3.834 . 5.671 5.011 4.971 5.044 . 0 0 "[ . 1]" 1
1356 2 67 PHE HB2 2 69 GLU H 3.834 . 5.671 5.012 4.974 5.047 . 0 0 "[ . 1]" 1
1357 1 66 LEU H 1 69 GLU H 3.660 . 5.334 4.716 4.674 4.763 . 0 0 "[ . 1]" 1
1358 2 66 LEU H 2 69 GLU H 3.660 . 5.334 4.719 4.680 4.767 . 0 0 "[ . 1]" 1
1359 1 68 LYS H 1 69 GLU H 2.689 . 3.593 2.612 2.593 2.649 . 0 0 "[ . 1]" 1
1360 2 68 LYS H 2 69 GLU H 2.689 . 3.593 2.614 2.594 2.650 . 0 0 "[ . 1]" 1
1361 1 43 TRP HH2 1 68 LYS H 3.498 . 5.027 4.102 3.946 4.314 . 0 0 "[ . 1]" 1
1362 2 43 TRP HH2 2 68 LYS H 3.498 . 5.027 4.101 3.945 4.314 . 0 0 "[ . 1]" 1
1363 1 65 VAL H 1 67 PHE H 3.558 . 5.141 4.077 4.034 4.100 . 0 0 "[ . 1]" 1
1364 2 65 VAL H 2 67 PHE H 3.558 . 5.141 4.077 4.035 4.100 . 0 0 "[ . 1]" 1
1365 1 71 TRP H 2 63 LEU QD 4.045 . 6.091 4.631 4.403 4.856 . 0 0 "[ . 1]" 1
1366 1 63 LEU QD 2 71 TRP H 4.045 . 6.091 4.632 4.389 4.859 . 0 0 "[ . 1]" 1
1367 1 64 ARG H 1 65 VAL H 2.773 . 3.734 2.719 2.685 2.754 . 0 0 "[ . 1]" 1
1368 2 64 ARG H 2 65 VAL H 2.773 . 3.734 2.718 2.687 2.755 . 0 0 "[ . 1]" 1
1369 1 61 ASN HD21 1 65 VAL H 3.707 . 5.424 4.462 3.656 4.726 . 0 0 "[ . 1]" 1
1370 2 61 ASN HD21 2 65 VAL H 3.707 . 5.424 4.463 3.652 4.734 . 0 0 "[ . 1]" 1
1371 1 61 ASN HA 1 64 ARG H 3.239 . 4.550 3.379 3.313 3.451 . 0 0 "[ . 1]" 1
1372 2 61 ASN HA 2 64 ARG H 3.239 . 4.550 3.378 3.314 3.446 . 0 0 "[ . 1]" 1
1373 1 64 ARG H 1 66 LEU H 3.619 . 5.256 4.206 4.104 4.303 . 0 0 "[ . 1]" 1
1374 2 64 ARG H 2 66 LEU H 3.619 . 5.256 4.205 4.103 4.304 . 0 0 "[ . 1]" 1
1375 1 61 ASN HA 1 63 LEU H 3.709 . 5.429 4.254 4.194 4.292 . 0 0 "[ . 1]" 1
1376 2 61 ASN HA 2 63 LEU H 3.709 . 5.429 4.253 4.194 4.289 . 0 0 "[ . 1]" 1
1377 1 62 LYS QE 1 63 LEU H 4.041 . 6.082 5.283 4.821 6.338 0.256 1 0 "[ . 1]" 1
1378 2 62 LYS QE 2 63 LEU H 4.041 . 6.082 5.283 4.814 6.340 0.258 1 0 "[ . 1]" 1
1379 1 59 GLU H 1 62 LYS H 3.696 . 5.404 4.715 4.644 4.810 . 0 0 "[ . 1]" 1
1380 2 59 GLU H 2 62 LYS H 3.696 . 5.404 4.713 4.652 4.805 . 0 0 "[ . 1]" 1
1381 1 60 ALA H 1 62 LYS H 3.370 . 4.790 4.054 3.971 4.146 . 0 0 "[ . 1]" 1
1382 2 60 ALA H 2 62 LYS H 3.370 . 4.790 4.055 3.971 4.148 . 0 0 "[ . 1]" 1
1383 1 61 ASN HD21 1 65 VAL MG2 3.496 . 5.024 3.264 2.290 3.600 . 0 0 "[ . 1]" 1
1384 2 61 ASN HD21 2 65 VAL MG2 3.496 . 5.024 3.263 2.287 3.599 . 0 0 "[ . 1]" 1
1385 1 61 ASN HB2 1 61 ASN HD21 2.994 . 4.115 2.939 2.842 3.511 . 0 0 "[ . 1]" 1
1386 2 61 ASN HB2 2 61 ASN HD21 2.994 . 4.115 2.936 2.839 3.513 . 0 0 "[ . 1]" 1
1387 1 61 ASN HD21 1 62 LYS HA 4.062 . 6.125 5.206 4.069 5.536 . 0 0 "[ . 1]" 1
1388 2 61 ASN HD21 2 62 LYS HA 4.062 . 6.125 5.207 4.067 5.541 . 0 0 "[ . 1]" 1
1389 1 61 ASN HA 1 61 ASN HD22 3.699 . 5.409 3.442 3.395 3.480 . 0 0 "[ . 1]" 1
1390 2 61 ASN HA 2 61 ASN HD22 3.699 . 5.409 3.445 3.396 3.487 . 0 0 "[ . 1]" 1
1391 1 61 ASN HD22 1 65 VAL MG2 3.560 . 5.144 3.099 2.851 3.396 . 0 0 "[ . 1]" 1
1392 2 61 ASN HD22 2 65 VAL MG2 3.560 . 5.144 3.096 2.847 3.390 . 0 0 "[ . 1]" 1
1393 1 47 GLN HE21 1 61 ASN HD22 3.708 . 5.426 5.276 4.852 5.792 0.366 1 0 "[ . 1]" 1
1394 2 47 GLN HE21 2 61 ASN HD22 3.708 . 5.426 5.281 4.855 5.802 0.376 1 0 "[ . 1]" 1
1395 1 60 ALA H 1 61 ASN H 2.628 . 3.491 2.520 2.495 2.560 . 0 0 "[ . 1]" 1
1396 2 60 ALA H 2 61 ASN H 2.628 . 3.491 2.520 2.493 2.562 . 0 0 "[ . 1]" 1
1397 1 51 GLU HA 1 61 ASN H 4.059 . 6.118 6.228 5.914 6.496 0.378 8 0 "[ . 1]" 1
1398 2 51 GLU HA 2 61 ASN H 4.059 . 6.118 6.228 5.915 6.493 0.375 8 0 "[ . 1]" 1
1399 1 67 PHE HA 1 68 LYS H 3.384 . 4.816 3.537 3.529 3.545 . 0 0 "[ . 1]" 1
1400 2 67 PHE HA 2 68 LYS H 3.384 . 4.816 3.538 3.528 3.545 . 0 0 "[ . 1]" 1
1401 1 44 ASP H 1 44 ASP HA 2.649 . 3.526 2.824 2.811 2.832 . 0 0 "[ . 1]" 1
1402 2 44 ASP H 2 44 ASP HA 2.649 . 3.526 2.824 2.814 2.834 . 0 0 "[ . 1]" 1
1403 1 41 ALA HA 1 44 ASP H 2.872 . 3.903 3.430 3.312 3.553 . 0 0 "[ . 1]" 1
1404 2 41 ALA HA 2 44 ASP H 2.872 . 3.903 3.428 3.308 3.554 . 0 0 "[ . 1]" 1
1405 1 47 GLN H 1 64 ARG HD2 3.694 . 5.400 3.969 3.735 4.103 . 0 0 "[ . 1]" 1
1406 2 47 GLN H 2 64 ARG HD2 3.694 . 5.400 3.968 3.750 4.105 . 0 0 "[ . 1]" 1
1407 1 58 ASP H 1 60 ALA MB 3.944 . 5.889 4.509 4.376 4.677 . 0 0 "[ . 1]" 1
1408 2 58 ASP H 2 60 ALA MB 3.944 . 5.889 4.509 4.371 4.671 . 0 0 "[ . 1]" 1
1409 1 51 GLU H 1 56 ASP H 4.076 . 6.152 5.494 5.393 5.562 . 0 0 "[ . 1]" 1
1410 2 51 GLU H 2 56 ASP H 4.076 . 6.152 5.496 5.396 5.566 . 0 0 "[ . 1]" 1
1411 1 47 GLN HE22 1 60 ALA H 4.293 . 6.596 6.332 6.105 6.604 0.008 9 0 "[ . 1]" 1
1412 2 47 GLN HE22 2 60 ALA H 4.293 . 6.596 6.332 6.107 6.611 0.015 9 0 "[ . 1]" 1
1413 1 56 ASP HA 1 60 ALA H 4.284 . 6.578 5.240 5.148 5.363 . 0 0 "[ . 1]" 1
1414 2 56 ASP HA 2 60 ALA H 4.284 . 6.578 5.241 5.141 5.372 . 0 0 "[ . 1]" 1
1415 1 35 SER H 1 37 VAL MG1 4.201 . 6.407 6.407 6.335 6.537 0.130 2 0 "[ . 1]" 1
1416 2 35 SER H 2 37 VAL MG1 4.201 . 6.407 6.406 6.338 6.536 0.129 2 0 "[ . 1]" 1
1417 1 54 LEU H 2 42 PHE QE 4.191 . 6.386 4.451 4.397 4.549 . 0 0 "[ . 1]" 1
1418 1 42 PHE QE 2 54 LEU H 4.191 . 6.386 4.452 4.396 4.574 . 0 0 "[ . 1]" 1
1419 1 49 PHE QE 1 53 ARG H 4.085 . 6.171 5.201 5.014 5.421 . 0 0 "[ . 1]" 1
1420 2 49 PHE QE 2 53 ARG H 4.085 . 6.171 5.203 5.008 5.424 . 0 0 "[ . 1]" 1
1421 1 52 GLN HE21 1 52 GLN HG3 3.248 . 4.567 3.231 2.224 3.473 . 0 0 "[ . 1]" 1
1422 2 52 GLN HE21 2 52 GLN HG3 3.248 . 4.567 3.230 2.221 3.473 . 0 0 "[ . 1]" 1
1423 1 52 GLN HB2 1 52 GLN HE21 4.069 . 6.138 3.905 2.887 4.463 . 0 0 "[ . 1]" 1
1424 2 52 GLN HB2 2 52 GLN HE21 4.069 . 6.138 3.905 2.886 4.455 . 0 0 "[ . 1]" 1
1425 1 52 GLN HA 1 52 GLN HE21 3.605 . 5.230 4.396 4.173 4.864 . 0 0 "[ . 1]" 1
1426 2 52 GLN HA 2 52 GLN HE21 3.605 . 5.230 4.398 4.169 4.863 . 0 0 "[ . 1]" 1
1427 1 61 ASN HD21 1 64 ARG HD2 4.150 . 6.303 4.653 3.327 5.497 . 0 0 "[ . 1]" 1
1428 2 61 ASN HD21 2 64 ARG HD2 4.150 . 6.303 4.654 3.313 5.511 . 0 0 "[ . 1]" 1
1429 1 61 ASN HD22 1 64 ARG HD2 4.253 . 6.514 5.350 4.364 5.791 . 0 0 "[ . 1]" 1
1430 2 61 ASN HD22 2 64 ARG HD2 4.253 . 6.514 5.354 4.352 5.796 . 0 0 "[ . 1]" 1
1431 1 48 GLY H 1 49 PHE H 2.840 . 3.848 2.726 2.690 2.754 . 0 0 "[ . 1]" 1
1432 2 48 GLY H 2 49 PHE H 2.840 . 3.848 2.726 2.682 2.750 . 0 0 "[ . 1]" 1
1433 1 47 GLN H 1 48 GLY H 2.786 . 3.756 2.585 2.555 2.634 . 0 0 "[ . 1]" 1
1434 2 47 GLN H 2 48 GLY H 2.786 . 3.756 2.588 2.556 2.635 . 0 0 "[ . 1]" 1
1435 1 48 GLY H 1 51 GLU H 3.782 . 5.570 4.603 4.561 4.638 . 0 0 "[ . 1]" 1
1436 2 48 GLY H 2 51 GLU H 3.782 . 5.570 4.603 4.559 4.637 . 0 0 "[ . 1]" 1
1437 1 48 GLY H 1 50 LEU MD2 4.211 . 6.427 5.300 5.161 5.497 . 0 0 "[ . 1]" 1
1438 2 48 GLY H 2 50 LEU MD2 4.211 . 6.427 5.302 5.166 5.500 . 0 0 "[ . 1]" 1
1439 1 48 GLY H 1 64 ARG HD3 4.289 . 6.589 5.806 5.418 7.101 0.512 2 1 "[ + . 1]" 1
1440 2 48 GLY H 2 64 ARG HD3 4.289 . 6.589 5.808 5.425 7.109 0.520 2 1 "[ + . 1]" 1
1441 1 39 THR H 1 39 THR HA 2.620 . 3.478 2.940 2.938 2.942 . 0 0 "[ . 1]" 1
1442 2 39 THR H 2 39 THR HA 2.620 . 3.478 2.940 2.937 2.942 . 0 0 "[ . 1]" 1
1443 1 47 GLN HE21 1 61 ASN HA 3.548 . 5.121 3.325 2.685 4.137 . 0 0 "[ . 1]" 1
1444 2 47 GLN HE21 2 61 ASN HA 3.548 . 5.121 3.324 2.685 4.147 . 0 0 "[ . 1]" 1
1445 1 47 GLN HA 1 47 GLN HE21 3.736 . 5.481 4.992 4.830 5.189 . 0 0 "[ . 1]" 1
1446 2 47 GLN HA 2 47 GLN HE21 3.736 . 5.481 4.992 4.828 5.189 . 0 0 "[ . 1]" 1
1447 1 47 GLN HE21 1 57 TYR HA 3.605 . 5.229 3.858 3.466 4.216 . 0 0 "[ . 1]" 1
1448 2 47 GLN HE21 2 57 TYR HA 3.605 . 5.229 3.859 3.461 4.211 . 0 0 "[ . 1]" 1
1449 1 47 GLN HE21 1 57 TYR QD 3.749 . 5.506 3.260 2.785 3.705 . 0 0 "[ . 1]" 1
1450 2 47 GLN HE21 2 57 TYR QD 3.749 . 5.506 3.260 2.779 3.709 . 0 0 "[ . 1]" 1
1451 1 47 GLN HE21 1 57 TYR QE 3.585 . 5.191 3.210 2.767 3.494 . 0 0 "[ . 1]" 1
1452 2 47 GLN HE21 2 57 TYR QE 3.585 . 5.191 3.208 2.763 3.491 . 0 0 "[ . 1]" 1
1453 1 38 ALA H 1 39 THR H 2.511 . 3.299 2.767 2.729 2.812 . 0 0 "[ . 1]" 1
1454 2 38 ALA H 2 39 THR H 2.511 . 3.299 2.764 2.727 2.817 . 0 0 "[ . 1]" 1
1455 1 47 GLN HE21 1 51 GLU H 4.045 . 6.090 5.751 5.423 6.198 0.108 3 0 "[ . 1]" 1
1456 2 47 GLN HE21 2 51 GLU H 4.045 . 6.090 5.752 5.414 6.206 0.116 3 0 "[ . 1]" 1
1457 1 39 THR H 1 43 TRP HE1 3.512 . 5.054 4.076 3.967 4.143 . 0 0 "[ . 1]" 1
1458 2 39 THR H 2 43 TRP HE1 3.512 . 5.054 4.077 3.967 4.142 . 0 0 "[ . 1]" 1
1459 1 39 THR H 1 42 PHE HB3 3.168 . 4.422 2.898 2.841 3.014 . 0 0 "[ . 1]" 1
1460 2 39 THR H 2 42 PHE HB3 3.168 . 4.422 2.900 2.840 3.016 . 0 0 "[ . 1]" 1
1461 1 39 THR H 1 42 PHE HB2 3.178 . 4.440 3.586 3.440 3.726 . 0 0 "[ . 1]" 1
1462 2 39 THR H 2 42 PHE HB2 3.178 . 4.440 3.586 3.437 3.724 . 0 0 "[ . 1]" 1
1463 1 37 VAL HA 1 39 THR H 3.110 . 4.319 3.440 3.395 3.467 . 0 0 "[ . 1]" 1
1464 2 37 VAL HA 2 39 THR H 3.110 . 4.319 3.441 3.393 3.471 . 0 0 "[ . 1]" 1
1465 1 36 VAL HB 1 39 THR H 3.851 . 5.704 6.209 6.045 6.271 0.567 7 7 "[-* **+ **]" 1
1466 2 36 VAL HB 2 39 THR H 3.851 . 5.704 6.210 6.044 6.274 0.570 5 7 "[-* +** **]" 1
1467 1 36 VAL MG1 1 39 THR H 3.890 . 5.781 5.072 4.990 5.170 . 0 0 "[ . 1]" 1
1468 2 36 VAL MG1 2 39 THR H 3.890 . 5.781 5.073 4.990 5.171 . 0 0 "[ . 1]" 1
1469 1 47 GLN HE21 1 60 ALA MB 3.420 . 4.882 2.972 2.637 3.465 . 0 0 "[ . 1]" 1
1470 2 47 GLN HE21 2 60 ALA MB 3.420 . 4.882 2.972 2.635 3.460 . 0 0 "[ . 1]" 1
1471 1 47 GLN HE21 1 64 ARG HD3 4.314 . 6.640 4.701 4.173 5.634 . 0 0 "[ . 1]" 1
1472 2 47 GLN HE21 2 64 ARG HD3 4.314 . 6.640 4.701 4.171 5.647 . 0 0 "[ . 1]" 1
1473 1 47 GLN HE22 1 60 ALA MB 3.735 . 5.479 4.271 4.139 4.427 . 0 0 "[ . 1]" 1
1474 2 47 GLN HE22 2 60 ALA MB 3.735 . 5.479 4.272 4.136 4.430 . 0 0 "[ . 1]" 1
1475 1 47 GLN HE22 1 51 GLU HG2 3.760 . 5.527 5.450 5.092 5.882 0.355 8 0 "[ . 1]" 1
1476 2 47 GLN HE22 2 51 GLU HG2 3.760 . 5.527 5.451 5.089 5.891 0.364 8 0 "[ . 1]" 1
1477 1 47 GLN HE22 1 57 TYR HA 4.067 . 6.135 5.117 4.573 5.441 . 0 0 "[ . 1]" 1
1478 2 47 GLN HE22 2 57 TYR HA 4.067 . 6.135 5.118 4.569 5.441 . 0 0 "[ . 1]" 1
1479 1 47 GLN HA 1 47 GLN HE22 4.290 . 6.591 5.985 5.907 6.077 . 0 0 "[ . 1]" 1
1480 2 47 GLN HA 2 47 GLN HE22 4.290 . 6.591 5.985 5.908 6.075 . 0 0 "[ . 1]" 1
1481 1 37 VAL MG1 1 39 THR H 4.146 . 6.295 4.400 4.334 4.492 . 0 0 "[ . 1]" 1
1482 2 37 VAL MG1 2 39 THR H 4.146 . 6.295 4.400 4.336 4.488 . 0 0 "[ . 1]" 1
1483 1 37 VAL MG2 1 39 THR H 3.886 . 5.773 5.062 5.041 5.075 . 0 0 "[ . 1]" 1
1484 2 37 VAL MG2 2 39 THR H 3.886 . 5.773 5.062 5.040 5.075 . 0 0 "[ . 1]" 1
1485 1 36 VAL MG1 1 42 PHE H 3.916 . 5.833 6.067 5.797 6.321 0.488 3 0 "[ . 1]" 1
1486 2 36 VAL MG1 2 42 PHE H 3.916 . 5.833 6.069 5.799 6.322 0.489 3 0 "[ . 1]" 1
1487 1 42 PHE H 1 43 TRP H 2.603 . 3.450 2.684 2.654 2.697 . 0 0 "[ . 1]" 1
1488 2 42 PHE H 2 43 TRP H 2.603 . 3.450 2.683 2.656 2.699 . 0 0 "[ . 1]" 1
1489 1 40 GLU HA 1 42 PHE H 3.513 . 5.056 4.182 4.108 4.259 . 0 0 "[ . 1]" 1
1490 2 40 GLU HA 2 42 PHE H 3.513 . 5.056 4.183 4.109 4.262 . 0 0 "[ . 1]" 1
1491 1 58 ASP HB2 1 60 ALA H 3.709 . 5.429 5.179 4.689 5.777 0.348 1 0 "[ . 1]" 1
1492 2 58 ASP HB2 2 60 ALA H 3.709 . 5.429 5.176 4.688 5.774 0.345 1 0 "[ . 1]" 1
1493 1 41 ALA HA 1 46 LEU H 4.089 . 6.179 6.218 6.104 6.301 0.122 10 0 "[ . 1]" 1
1494 2 41 ALA HA 2 46 LEU H 4.089 . 6.179 6.216 6.097 6.305 0.126 3 0 "[ . 1]" 1
1495 1 42 PHE QD 1 46 LEU H 4.121 . 6.244 4.836 4.774 4.931 . 0 0 "[ . 1]" 1
1496 2 42 PHE QD 2 46 LEU H 4.121 . 6.244 4.838 4.775 4.933 . 0 0 "[ . 1]" 1
1497 1 45 ASP H 1 46 LEU HB3 3.896 . 5.793 4.864 4.775 4.920 . 0 0 "[ . 1]" 1
1498 2 45 ASP H 2 46 LEU HB3 3.896 . 5.793 4.864 4.773 4.921 . 0 0 "[ . 1]" 1
1499 1 41 ALA MB 1 44 ASP H 3.547 . 5.120 4.536 4.466 4.591 . 0 0 "[ . 1]" 1
1500 2 41 ALA MB 2 44 ASP H 3.547 . 5.120 4.535 4.466 4.595 . 0 0 "[ . 1]" 1
1501 1 69 GLU H 2 67 PHE QE 4.202 . 6.410 6.005 5.926 6.088 . 0 0 "[ . 1]" 1
1502 1 67 PHE QE 2 69 GLU H 4.202 . 6.410 6.006 5.912 6.091 . 0 0 "[ . 1]" 1
1503 1 34 GLU HA 1 37 VAL H 3.860 . 5.723 3.450 3.147 3.754 . 0 0 "[ . 1]" 1
1504 2 34 GLU HA 2 37 VAL H 3.860 . 5.723 3.449 3.147 3.761 . 0 0 "[ . 1]" 1
1505 1 57 TYR QE 1 58 ASP H 4.268 . 6.545 5.539 5.243 5.731 . 0 0 "[ . 1]" 1
1506 2 57 TYR QE 2 58 ASP H 4.268 . 6.545 5.539 5.244 5.731 . 0 0 "[ . 1]" 1
1507 1 33 GLY H 1 33 GLY HA2 2.301 . 2.963 2.410 2.280 2.886 . 0 0 "[ . 1]" 1
1508 2 33 GLY H 2 33 GLY HA2 2.301 . 2.963 2.410 2.280 2.887 . 0 0 "[ . 1]" 1
1509 1 33 GLY H 2 56 ASP HB3 3.653 . 5.321 4.611 3.558 5.533 0.212 1 0 "[ . 1]" 1
1510 1 56 ASP HB3 2 33 GLY H 3.653 . 5.321 4.610 3.429 5.583 0.262 5 0 "[ . 1]" 1
1511 1 33 GLY H 2 54 LEU HB3 4.267 . 6.543 3.664 2.808 4.401 . 0 0 "[ . 1]" 1
1512 1 54 LEU HB3 2 33 GLY H 4.267 . 6.543 3.665 2.764 4.406 . 0 0 "[ . 1]" 1
1513 1 33 GLY H 1 36 VAL MG1 4.336 . 6.686 3.448 2.717 4.973 . 0 0 "[ . 1]" 1
1514 2 33 GLY H 2 36 VAL MG1 4.336 . 6.686 3.448 2.712 4.974 . 0 0 "[ . 1]" 1
1515 1 32 SER H 1 36 VAL MG1 4.143 . 6.289 4.810 3.844 5.449 . 0 0 "[ . 1]" 1
1516 2 32 SER H 2 36 VAL MG1 4.143 . 6.289 4.809 3.842 5.454 . 0 0 "[ . 1]" 1
1517 1 53 ARG H 2 42 PHE QE 4.348 . 6.712 4.979 4.673 5.165 . 0 0 "[ . 1]" 1
1518 1 42 PHE QE 2 53 ARG H 4.348 . 6.712 4.981 4.699 5.162 . 0 0 "[ . 1]" 1
1519 1 53 ARG H 2 42 PHE QD 4.314 . 6.640 5.731 5.404 5.991 . 0 0 "[ . 1]" 1
1520 1 42 PHE QD 2 53 ARG H 4.314 . 6.640 5.734 5.432 5.994 . 0 0 "[ . 1]" 1
1521 1 57 TYR H 1 57 TYR QE 4.133 . 6.268 6.192 6.122 6.234 . 0 0 "[ . 1]" 1
1522 2 57 TYR H 2 57 TYR QE 4.133 . 6.268 6.192 6.125 6.239 . 0 0 "[ . 1]" 1
1523 1 42 PHE QD 1 44 ASP H 4.295 . 6.601 5.084 5.015 5.200 . 0 0 "[ . 1]" 1
1524 2 42 PHE QD 2 44 ASP H 4.295 . 6.601 5.086 5.018 5.197 . 0 0 "[ . 1]" 1
1525 1 55 LYS H 1 56 ASP HA 4.186 . 6.376 5.305 5.252 5.363 . 0 0 "[ . 1]" 1
1526 2 55 LYS H 2 56 ASP HA 4.186 . 6.376 5.304 5.257 5.354 . 0 0 "[ . 1]" 1
1527 1 51 GLU H 1 55 LYS H 4.161 . 6.325 5.466 5.392 5.580 . 0 0 "[ . 1]" 1
1528 2 51 GLU H 2 55 LYS H 4.161 . 6.325 5.465 5.390 5.588 . 0 0 "[ . 1]" 1
1529 1 42 PHE QD 1 43 TRP HE1 3.030 . 4.177 3.482 3.214 3.719 . 0 0 "[ . 1]" 1
1530 2 42 PHE QD 2 43 TRP HE1 3.030 . 4.177 3.482 3.217 3.724 . 0 0 "[ . 1]" 1
1531 1 42 PHE QD 1 43 TRP H 3.079 . 4.264 2.928 2.858 3.058 . 0 0 "[ . 1]" 1
1532 2 42 PHE QD 2 43 TRP H 3.079 . 4.264 2.929 2.863 3.061 . 0 0 "[ . 1]" 1
1533 1 42 PHE QE 1 43 TRP HE3 3.650 . 5.315 3.831 3.722 3.916 . 0 0 "[ . 1]" 1
1534 2 42 PHE QE 2 43 TRP HE3 3.650 . 5.315 3.833 3.724 3.915 . 0 0 "[ . 1]" 1
1535 1 42 PHE QE 2 67 PHE QE 3.404 . 4.853 3.504 3.382 3.755 . 0 0 "[ . 1]" 1
1536 1 67 PHE QE 2 42 PHE QE 3.404 . 4.853 3.504 3.359 3.727 . 0 0 "[ . 1]" 1
1537 1 42 PHE QE 1 43 TRP HZ3 3.558 . 5.141 3.463 3.325 3.598 . 0 0 "[ . 1]" 1
1538 2 42 PHE QE 2 43 TRP HZ3 3.558 . 5.141 3.465 3.323 3.598 . 0 0 "[ . 1]" 1
1539 1 42 PHE QE 2 49 PHE QE 2.933 . 4.008 3.249 3.098 3.468 . 0 0 "[ . 1]" 1
1540 1 49 PHE QE 2 42 PHE QE 2.933 . 4.008 3.250 3.106 3.442 . 0 0 "[ . 1]" 1
1541 1 42 PHE HA 1 42 PHE QE 3.568 . 5.159 4.750 4.680 4.789 . 0 0 "[ . 1]" 1
1542 2 42 PHE HA 2 42 PHE QE 3.568 . 5.159 4.750 4.679 4.792 . 0 0 "[ . 1]" 1
1543 1 42 PHE QE 2 50 LEU HA 3.484 . 5.002 3.022 2.893 3.129 . 0 0 "[ . 1]" 1
1544 1 50 LEU HA 2 42 PHE QE 3.484 . 5.002 3.020 2.886 3.130 . 0 0 "[ . 1]" 1
1545 1 42 PHE HB3 1 42 PHE QE 3.408 . 4.860 4.396 4.383 4.405 . 0 0 "[ . 1]" 1
1546 2 42 PHE HB3 2 42 PHE QE 3.408 . 4.860 4.396 4.383 4.406 . 0 0 "[ . 1]" 1
1547 1 42 PHE HB2 1 42 PHE QE 3.548 . 5.122 4.417 4.406 4.441 . 0 0 "[ . 1]" 1
1548 2 42 PHE HB2 2 42 PHE QE 3.548 . 5.122 4.418 4.408 4.441 . 0 0 "[ . 1]" 1
1549 1 42 PHE HB3 1 42 PHE QD 2.549 . 3.361 2.357 2.307 2.383 . 0 0 "[ . 1]" 1
1550 2 42 PHE HB3 2 42 PHE QD 2.549 . 3.361 2.357 2.308 2.383 . 0 0 "[ . 1]" 1
1551 1 42 PHE HB2 1 42 PHE QD 2.556 . 3.373 2.430 2.396 2.502 . 0 0 "[ . 1]" 1
1552 2 42 PHE HB2 2 42 PHE QD 2.556 . 3.373 2.431 2.399 2.503 . 0 0 "[ . 1]" 1
1553 1 37 VAL HA 1 42 PHE QD 2.688 . 3.591 2.946 2.833 3.002 . 0 0 "[ . 1]" 1
1554 2 37 VAL HA 2 42 PHE QD 2.688 . 3.591 2.946 2.834 3.002 . 0 0 "[ . 1]" 1
1555 1 42 PHE QE 2 53 ARG QB 2.826 . 3.824 2.680 2.548 2.781 . 0 0 "[ . 1]" 1
1556 1 53 ARG QB 2 42 PHE QE 2.826 . 3.824 2.679 2.527 2.802 . 0 0 "[ . 1]" 1
1557 1 37 VAL MG2 1 42 PHE QE 2.744 . 3.685 3.208 2.928 3.541 . 0 0 "[ . 1]" 1
1558 2 37 VAL MG2 2 42 PHE QE 2.744 . 3.685 3.209 2.928 3.536 . 0 0 "[ . 1]" 1
1559 1 36 VAL HB 1 42 PHE QD 3.778 . 5.562 5.454 5.149 5.837 0.275 3 0 "[ . 1]" 1
1560 2 36 VAL HB 2 42 PHE QD 3.778 . 5.562 5.454 5.143 5.830 0.268 9 0 "[ . 1]" 1
1561 1 42 PHE QD 2 53 ARG QB 2.672 . 3.565 2.944 2.466 3.294 . 0 0 "[ . 1]" 1
1562 1 53 ARG QB 2 42 PHE QD 2.672 . 3.565 2.941 2.452 3.288 . 0 0 "[ . 1]" 1
1563 1 36 VAL MG1 1 42 PHE QD 3.053 . 4.218 3.362 2.809 3.950 . 0 0 "[ . 1]" 1
1564 2 36 VAL MG1 2 42 PHE QD 3.053 . 4.218 3.363 2.812 3.945 . 0 0 "[ . 1]" 1
1565 1 42 PHE QD 2 54 LEU QD 3.633 . 4.047 2.988 2.790 3.168 . 0 0 "[ . 1]" 1
1566 1 54 LEU QD 2 42 PHE QD 3.633 . 4.047 2.987 2.800 3.193 . 0 0 "[ . 1]" 1
1567 1 37 VAL MG2 1 42 PHE QD 2.970 . 4.072 3.699 3.527 3.959 . 0 0 "[ . 1]" 1
1568 2 37 VAL MG2 2 42 PHE QD 2.970 . 4.072 3.699 3.525 3.956 . 0 0 "[ . 1]" 1
1569 1 42 PHE HZ 2 67 PHE QE 3.382 . 4.812 3.114 3.032 3.213 . 0 0 "[ . 1]" 1
1570 1 67 PHE QE 2 42 PHE HZ 3.382 . 4.812 3.114 3.041 3.228 . 0 0 "[ . 1]" 1
1571 1 42 PHE HZ 2 50 LEU HG 3.729 . 5.467 2.848 2.733 2.952 . 0 0 "[ . 1]" 1
1572 1 50 LEU HG 2 42 PHE HZ 3.729 . 5.467 2.848 2.756 2.952 . 0 0 "[ . 1]" 1
1573 1 53 ARG H 1 54 LEU QD 3.035 . 4.186 3.453 3.334 3.549 . 0 0 "[ . 1]" 1
1574 2 53 ARG H 2 54 LEU QD 3.035 . 4.186 3.453 3.335 3.552 . 0 0 "[ . 1]" 1
1575 1 50 LEU MD2 1 61 ASN H 3.053 . 4.218 3.526 3.488 3.578 . 0 0 "[ . 1]" 1
1576 2 50 LEU MD2 2 61 ASN H 3.053 . 4.218 3.526 3.491 3.577 . 0 0 "[ . 1]" 1
1577 1 46 LEU HA 1 46 LEU HG 2.628 . 3.491 3.603 3.579 3.615 0.124 5 0 "[ . 1]" 1
1578 2 46 LEU HA 2 46 LEU HG 2.628 . 3.491 3.603 3.579 3.616 0.125 7 0 "[ . 1]" 1
1579 1 50 LEU MD2 1 60 ALA HA 2.467 . 3.228 2.333 2.140 2.440 . 0 0 "[ . 1]" 1
1580 2 50 LEU MD2 2 60 ALA HA 2.467 . 3.228 2.333 2.144 2.440 . 0 0 "[ . 1]" 1
1581 1 60 ALA HA 1 63 LEU QD 2.501 . 3.283 1.906 1.889 1.930 . 0 0 "[ . 1]" 1
1582 2 60 ALA HA 2 63 LEU QD 2.501 . 3.283 1.906 1.888 1.927 . 0 0 "[ . 1]" 1
1583 1 36 VAL H 1 37 VAL MG2 2.859 . 3.881 3.585 3.404 3.676 . 0 0 "[ . 1]" 1
1584 1 54 LEU H 2 37 VAL MG2 2.859 . 3.881 3.584 3.397 3.676 . 0 0 "[ . 1]" 1
1585 1 37 VAL MG2 1 71 TRP HD1 2.834 . 3.838 4.051 3.955 4.286 0.448 9 0 "[ . 1]" 1
1586 1 67 PHE HZ 2 37 VAL MG2 2.834 . 3.838 4.051 3.960 4.282 0.444 9 0 "[ . 1]" 1
1587 1 36 VAL H 1 36 VAL MG2 2.589 . 3.427 3.750 3.726 3.779 0.352 2 0 "[ . 1]" 1
1588 2 36 VAL H 2 36 VAL MG2 2.589 . 3.427 3.750 3.726 3.780 0.353 2 0 "[ . 1]" 1
1589 1 37 VAL H 1 37 VAL MG1 2.540 . 3.347 3.508 3.444 3.553 0.206 5 0 "[ . 1]" 1
1590 2 37 VAL H 2 37 VAL MG1 2.540 . 3.347 3.508 3.444 3.554 0.207 5 0 "[ . 1]" 1
1591 1 37 VAL MG1 1 71 TRP HZ2 2.671 . 3.563 3.380 3.292 3.424 . 0 0 "[ . 1]" 1
1592 1 67 PHE QE 2 37 VAL MG1 2.671 . 3.563 3.380 3.291 3.427 . 0 0 "[ . 1]" 1
1593 1 37 VAL MG1 1 43 TRP HH2 2.521 . 3.316 3.020 2.898 3.300 . 0 0 "[ . 1]" 1
1594 1 67 PHE HZ 2 37 VAL MG1 2.521 . 3.316 3.021 2.901 3.291 . 0 0 "[ . 1]" 1
1595 1 50 LEU H 1 60 ALA MB 2.722 . 3.648 3.641 3.613 3.688 0.040 5 0 "[ . 1]" 1
1596 2 50 LEU H 2 60 ALA MB 2.722 . 3.648 3.640 3.614 3.686 0.038 5 0 "[ . 1]" 1
1597 1 40 GLU H 1 41 ALA MB 2.770 . 3.729 3.873 3.640 4.147 0.418 1 0 "[ . 1]" 1
1598 1 53 ARG HE 2 41 ALA MB 2.770 . 3.729 3.868 3.634 4.149 0.420 1 0 "[ . 1]" 1
1599 1 66 LEU HG 2 71 TRP H 2.864 . 3.890 4.186 4.084 4.328 0.438 4 0 "[ . 1]" 1
1600 1 71 TRP H 2 66 LEU HG 2.864 . 3.890 4.184 4.104 4.330 0.440 9 0 "[ . 1]" 1
1601 1 31 PRO QB 1 31 PRO QD 2.624 . 3.484 2.784 2.753 2.840 . 0 0 "[ . 1]" 1
1602 2 31 PRO QB 2 31 PRO QD 2.624 . 3.484 2.784 2.757 2.838 . 0 0 "[ . 1]" 1
1603 1 49 PHE HA 1 52 GLN HG3 2.421 . 3.154 2.786 2.648 2.919 . 0 0 "[ . 1]" 1
1604 2 49 PHE HA 2 52 GLN HG3 2.421 . 3.154 2.787 2.650 2.918 . 0 0 "[ . 1]" 1
1605 1 55 LYS HA 1 55 LYS QB 2.487 . 3.260 2.200 2.182 2.225 . 0 0 "[ . 1]" 1
1606 2 55 LYS HA 2 55 LYS QB 2.487 . 3.260 2.199 2.181 2.224 . 0 0 "[ . 1]" 1
1607 1 49 PHE HA 1 52 GLN HB2 2.277 . 2.925 2.601 2.508 2.647 . 0 0 "[ . 1]" 1
1608 2 49 PHE HA 2 52 GLN HB2 2.277 . 2.925 2.603 2.509 2.648 . 0 0 "[ . 1]" 1
1609 1 66 LEU HA 1 69 GLU HG2 2.153 . 2.733 2.790 2.523 3.028 0.295 5 0 "[ . 1]" 1
1610 2 66 LEU HA 2 69 GLU HG2 2.153 . 2.733 2.790 2.518 3.031 0.298 5 0 "[ . 1]" 1
1611 1 43 TRP HA 1 44 ASP H 2.409 . 3.135 2.551 2.514 2.570 . 0 0 "[ . 1]" 1
1612 2 43 TRP HA 2 44 ASP H 2.409 . 3.135 2.551 2.514 2.570 . 0 0 "[ . 1]" 1
1613 1 73 SER HA 1 74 SER H 2.280 . 2.930 2.716 2.709 2.727 . 0 0 "[ . 1]" 1
1614 2 73 SER HA 2 74 SER H 2.280 . 2.930 2.716 2.709 2.728 . 0 0 "[ . 1]" 1
1615 1 66 LEU HA 1 69 GLU H 2.485 . 3.257 2.761 2.740 2.787 . 0 0 "[ . 1]" 1
1616 2 66 LEU HA 2 69 GLU H 2.485 . 3.257 2.762 2.742 2.786 . 0 0 "[ . 1]" 1
1617 1 75 PHE H 1 75 PHE HA 2.106 . 2.660 2.396 2.201 2.546 . 0 0 "[ . 1]" 1
1618 2 75 PHE H 2 75 PHE HA 2.106 . 2.660 2.396 2.201 2.547 . 0 0 "[ . 1]" 1
1619 1 75 PHE H 1 75 PHE HB2 2.625 . 3.486 2.122 2.079 2.151 . 0 0 "[ . 1]" 1
1620 2 75 PHE H 2 75 PHE HB2 2.625 . 3.486 2.121 2.077 2.148 . 0 0 "[ . 1]" 1
1621 1 67 PHE HB3 1 67 PHE QD 2.770 . 3.729 2.529 2.504 2.542 . 0 0 "[ . 1]" 1
1622 1 67 PHE QD 2 67 PHE HB3 2.770 . 3.729 2.529 2.504 2.543 . 0 0 "[ . 1]" 1
1623 1 67 PHE HB3 1 68 LYS H 2.901 . 3.953 3.573 3.491 3.666 . 0 0 "[ . 1]" 1
1624 2 67 PHE HB3 2 68 LYS H 2.901 . 3.953 3.572 3.492 3.665 . 0 0 "[ . 1]" 1
1625 1 34 GLU H 1 34 GLU HG2 2.957 . 4.050 3.451 2.806 4.214 0.164 1 0 "[ . 1]" 1
1626 2 34 GLU H 2 34 GLU HG2 2.957 . 4.050 3.452 2.814 4.221 0.171 1 0 "[ . 1]" 1
1627 1 44 ASP H 1 64 ARG HD2 3.504 . 5.039 3.677 3.533 3.800 . 0 0 "[ . 1]" 1
1628 2 44 ASP H 2 64 ARG HD2 3.504 . 5.039 3.677 3.529 3.798 . 0 0 "[ . 1]" 1
1629 1 43 TRP HH2 1 67 PHE HB2 3.183 . 4.449 3.696 3.549 3.935 . 0 0 "[ . 1]" 1
1630 1 67 PHE HZ 2 67 PHE HB2 3.183 . 4.449 3.695 3.546 3.933 . 0 0 "[ . 1]" 1
1631 1 67 PHE HB2 1 67 PHE QE 3.145 . 4.381 3.966 3.905 4.000 . 0 0 "[ . 1]" 1
1632 1 67 PHE QE 2 67 PHE HB2 3.145 . 4.381 3.965 3.897 4.001 . 0 0 "[ . 1]" 1
1633 1 47 GLN H 1 47 GLN HG3 2.964 . 4.062 4.187 4.108 4.229 0.167 3 0 "[ . 1]" 1
1634 2 47 GLN H 2 47 GLN HG3 2.964 . 4.062 4.187 4.110 4.230 0.168 3 0 "[ . 1]" 1
1635 1 47 GLN H 1 47 GLN HG2 3.042 . 4.199 4.128 4.095 4.158 . 0 0 "[ . 1]" 1
1636 2 47 GLN H 2 47 GLN HG2 3.042 . 4.199 4.127 4.092 4.159 . 0 0 "[ . 1]" 1
1637 1 55 LYS H 1 55 LYS QB 2.810 . 3.797 3.087 2.808 3.173 . 0 0 "[ . 1]" 1
1638 2 55 LYS H 2 55 LYS QB 2.810 . 3.797 3.086 2.808 3.174 . 0 0 "[ . 1]" 1
1639 1 34 GLU H 1 34 GLU HB2 2.878 . 3.913 2.837 2.208 3.163 . 0 0 "[ . 1]" 1
1640 2 34 GLU H 2 34 GLU HB2 2.878 . 3.913 2.837 2.203 3.160 . 0 0 "[ . 1]" 1
1641 1 54 LEU H 1 54 LEU HG 2.958 . 4.052 3.830 3.680 3.973 . 0 0 "[ . 1]" 1
1642 1 36 VAL H 2 54 LEU HG 2.958 . 4.052 3.830 3.670 3.958 . 0 0 "[ . 1]" 1
1643 1 60 ALA H 1 63 LEU QD 3.352 . 4.757 4.367 4.260 4.472 . 0 0 "[ . 1]" 1
1644 1 37 VAL H 2 63 LEU QD 3.352 . 4.757 4.366 4.251 4.479 . 0 0 "[ . 1]" 1
1645 1 36 VAL MG2 1 43 TRP H 3.321 . 4.700 5.044 4.810 5.254 0.554 10 1 "[ . +]" 1
1646 1 49 PHE QE 2 36 VAL MG2 3.321 . 4.700 5.044 4.811 5.244 0.544 10 1 "[ . +]" 1
1647 1 70 ALA MB 1 74 SER H 3.324 . 4.705 4.808 4.725 4.887 0.182 9 0 "[ . 1]" 1
1648 1 66 LEU H 2 70 ALA MB 3.324 . 4.705 4.808 4.732 4.885 0.180 9 0 "[ . 1]" 1
1649 1 43 TRP HH2 1 70 ALA MB 3.322 . 4.701 4.431 4.386 4.491 . 0 0 "[ . 1]" 1
1650 1 67 PHE HZ 2 70 ALA MB 3.322 . 4.701 4.432 4.381 4.501 . 0 0 "[ . 1]" 1
1651 1 67 PHE H 1 70 ALA MB 3.272 . 4.610 4.010 3.960 4.066 . 0 0 "[ . 1]" 1
1652 1 67 PHE H 2 70 ALA MB 3.272 . 4.610 4.010 3.972 4.072 . 0 0 "[ . 1]" 1
1653 1 71 TRP HB3 1 71 TRP HD1 3.108 . 4.315 3.594 3.528 3.634 . 0 0 "[ . 1]" 1
1654 1 67 PHE HZ 2 71 TRP HB3 3.108 . 4.315 3.595 3.522 3.638 . 0 0 "[ . 1]" 1
1655 1 68 LYS HA 1 72 ARG HG2 2.968 . 4.069 3.532 3.412 3.638 . 0 0 "[ . 1]" 1
1656 2 68 LYS HA 2 72 ARG HG2 2.968 . 4.069 3.532 3.411 3.638 . 0 0 "[ . 1]" 1
1657 1 43 TRP HH2 1 67 PHE HB3 3.045 . 4.204 2.987 2.900 3.170 . 0 0 "[ . 1]" 1
1658 1 67 PHE HZ 2 67 PHE HB3 3.045 . 4.204 2.986 2.899 3.168 . 0 0 "[ . 1]" 1
1659 1 68 LYS HB2 1 68 LYS HE2 3.175 . 4.435 3.949 3.535 4.219 . 0 0 "[ . 1]" 1
1660 2 68 LYS HB2 2 68 LYS HE2 3.175 . 4.435 3.948 3.541 4.219 . 0 0 "[ . 1]" 1
1661 1 68 LYS HB2 1 68 LYS HE3 3.098 . 4.298 4.123 4.087 4.168 . 0 0 "[ . 1]" 1
1662 2 68 LYS HB2 2 68 LYS HE3 3.098 . 4.298 4.123 4.088 4.162 . 0 0 "[ . 1]" 1
1663 1 60 ALA HA 1 63 LEU HB2 2.683 . 3.583 2.606 2.571 2.667 . 0 0 "[ . 1]" 1
1664 2 60 ALA HA 2 63 LEU HB2 2.683 . 3.583 2.606 2.574 2.667 . 0 0 "[ . 1]" 1
1665 1 64 ARG HB2 1 64 ARG HD3 2.421 . 3.153 2.328 2.230 2.727 . 0 0 "[ . 1]" 1
1666 2 64 ARG HB2 2 64 ARG HD3 2.421 . 3.153 2.328 2.230 2.729 . 0 0 "[ . 1]" 1
1667 1 43 TRP HB2 1 64 ARG HD2 2.401 . 3.122 2.316 2.277 2.431 . 0 0 "[ . 1]" 1
1668 2 43 TRP HB2 2 64 ARG HD2 2.401 . 3.122 2.317 2.279 2.433 . 0 0 "[ . 1]" 1
1669 1 64 ARG HB3 1 64 ARG HD3 2.536 . 3.340 2.441 2.152 2.542 . 0 0 "[ . 1]" 1
1670 2 64 ARG HB3 2 64 ARG HD3 2.536 . 3.340 2.441 2.152 2.542 . 0 0 "[ . 1]" 1
1671 1 62 LYS QB 1 62 LYS QE 2.602 . 3.448 2.466 1.896 3.641 0.193 1 0 "[ . 1]" 1
1672 2 62 LYS QB 2 62 LYS QE 2.602 . 3.448 2.465 1.894 3.644 0.196 1 0 "[ . 1]" 1
1673 1 47 GLN HG2 1 60 ALA HA 2.684 . 3.584 3.387 3.308 3.477 . 0 0 "[ . 1]" 1
1674 2 47 GLN HG2 2 60 ALA HA 2.684 . 3.584 3.386 3.306 3.479 . 0 0 "[ . 1]" 1
1675 1 50 LEU HA 1 50 LEU MD2 2.725 . 3.653 3.632 3.598 3.655 0.002 8 0 "[ . 1]" 1
1676 1 46 LEU MD2 2 50 LEU HA 2.725 . 3.653 3.632 3.601 3.656 0.003 8 0 "[ . 1]" 1
1677 1 43 TRP HA 1 43 TRP HB3 2.697 . 3.606 2.257 2.238 2.268 . 0 0 "[ . 1]" 1
1678 2 43 TRP HA 2 43 TRP HB3 2.697 . 3.606 2.257 2.241 2.267 . 0 0 "[ . 1]" 1
1679 1 43 TRP HA 1 43 TRP HB2 2.329 . 3.007 2.756 2.682 2.784 . 0 0 "[ . 1]" 1
1680 2 43 TRP HA 2 43 TRP HB2 2.329 . 3.007 2.756 2.685 2.784 . 0 0 "[ . 1]" 1
1681 1 62 LYS HA 1 62 LYS QB 2.150 . 2.728 2.404 2.374 2.434 . 0 0 "[ . 1]" 1
1682 2 62 LYS HA 2 62 LYS QB 2.150 . 2.728 2.404 2.375 2.438 . 0 0 "[ . 1]" 1
1683 1 49 PHE HA 1 49 PHE HB3 2.419 . 3.150 2.764 2.603 2.884 . 0 0 "[ . 1]" 1
1684 2 49 PHE HA 2 49 PHE HB3 2.419 . 3.150 2.766 2.606 2.886 . 0 0 "[ . 1]" 1
1685 1 43 TRP HA 1 46 LEU MD1 2.942 . 4.024 3.035 2.920 3.152 . 0 0 "[ . 1]" 1
1686 2 43 TRP HA 2 46 LEU MD1 2.942 . 4.024 3.035 2.921 3.152 . 0 0 "[ . 1]" 1
1687 1 64 ARG HA 1 64 ARG HB2 2.435 . 3.176 2.309 2.262 2.345 . 0 0 "[ . 1]" 1
1688 2 64 ARG HA 2 64 ARG HB2 2.435 . 3.176 2.309 2.263 2.343 . 0 0 "[ . 1]" 1
1689 1 64 ARG HA 1 64 ARG HB3 2.482 . 3.252 2.590 2.516 2.737 . 0 0 "[ . 1]" 1
1690 2 64 ARG HA 2 64 ARG HB3 2.482 . 3.252 2.591 2.518 2.735 . 0 0 "[ . 1]" 1
1691 1 59 GLU HA 1 59 GLU HB2 2.131 . 2.699 2.231 2.120 2.408 . 0 0 "[ . 1]" 1
1692 2 59 GLU HA 2 59 GLU HB2 2.131 . 2.699 2.230 2.119 2.410 . 0 0 "[ . 1]" 1
1693 1 66 LEU HA 1 66 LEU HB3 2.013 . 2.519 2.250 2.134 2.346 . 0 0 "[ . 1]" 1
1694 2 66 LEU HA 2 66 LEU HB3 2.013 . 2.519 2.247 2.123 2.342 . 0 0 "[ . 1]" 1
1695 1 31 PRO QB 1 32 SER HA 2.711 . 3.630 3.604 2.699 4.582 0.952 4 2 "[ +- 1]" 1
1696 1 55 LYS QB 2 32 SER HA 2.711 . 3.630 3.611 2.715 4.575 0.945 4 2 "[ +- 1]" 1
1697 1 67 PHE HA 1 70 ALA MB 2.444 . 3.191 2.366 2.312 2.456 . 0 0 "[ . 1]" 1
1698 1 70 ALA MB 2 67 PHE HA 2.444 . 3.191 2.366 2.307 2.455 . 0 0 "[ . 1]" 1
1699 1 74 SER HB2 1 75 PHE H 2.958 . 4.052 3.872 3.230 4.055 0.003 1 0 "[ . 1]" 1
1700 2 74 SER HB2 2 75 PHE H 2.958 . 4.052 3.871 3.230 4.058 0.006 1 0 "[ . 1]" 1
1701 1 42 PHE HA 1 43 TRP H 3.090 . 4.284 3.367 3.325 3.424 . 0 0 "[ . 1]" 1
1702 1 49 PHE QE 2 42 PHE HA 3.090 . 4.284 3.367 3.326 3.425 . 0 0 "[ . 1]" 1
1703 1 46 LEU HA 1 47 GLN H 2.840 . 3.848 3.414 3.395 3.436 . 0 0 "[ . 1]" 1
1704 2 46 LEU HA 2 47 GLN H 2.840 . 3.848 3.414 3.394 3.436 . 0 0 "[ . 1]" 1
1705 1 60 ALA HA 1 61 ASN H 2.781 . 3.748 3.144 3.083 3.181 . 0 0 "[ . 1]" 1
1706 2 60 ALA HA 2 61 ASN H 2.781 . 3.748 3.144 3.084 3.181 . 0 0 "[ . 1]" 1
1707 1 67 PHE HA 1 67 PHE QE 2.822 . 3.817 3.678 3.543 3.731 . 0 0 "[ . 1]" 1
1708 1 67 PHE QE 2 67 PHE HA 2.822 . 3.817 3.678 3.545 3.739 . 0 0 "[ . 1]" 1
1709 1 37 VAL H 1 38 ALA HA 3.262 . 4.592 4.513 4.456 4.578 . 0 0 "[ . 1]" 1
1710 2 37 VAL H 2 38 ALA HA 3.262 . 4.592 4.513 4.457 4.576 . 0 0 "[ . 1]" 1
1711 1 50 LEU H 1 60 ALA HA 3.305 . 4.671 4.719 4.679 4.789 0.118 1 0 "[ . 1]" 1
1712 2 50 LEU H 2 60 ALA HA 3.305 . 4.671 4.717 4.676 4.792 0.121 1 0 "[ . 1]" 1
1713 1 40 GLU HA 1 40 GLU QG 2.437 . 3.180 2.652 2.385 3.280 0.100 7 0 "[ . 1]" 1
1714 2 40 GLU HA 2 40 GLU QG 2.437 . 3.180 2.652 2.382 3.282 0.102 7 0 "[ . 1]" 1
1715 1 39 THR HA 1 40 GLU QB 2.961 . 4.057 3.952 3.881 4.126 0.069 7 0 "[ . 1]" 1
1716 2 39 THR HA 2 40 GLU QB 2.961 . 4.057 3.951 3.886 4.126 0.069 7 0 "[ . 1]" 1
1717 1 39 THR HA 1 39 THR MG 2.954 . 4.044 2.002 1.995 2.006 . 0 0 "[ . 1]" 1
1718 2 39 THR HA 2 39 THR MG 2.954 . 4.044 2.002 1.997 2.006 . 0 0 "[ . 1]" 1
1719 1 36 VAL MG2 2 53 ARG HA 2.690 . 3.595 3.445 3.142 3.751 0.156 5 0 "[ . 1]" 1
1720 1 53 ARG HA 2 36 VAL MG2 2.690 . 3.595 3.444 3.167 3.765 0.170 5 0 "[ . 1]" 1
1721 1 63 LEU QD 1 67 PHE HB2 3.264 . 4.595 4.837 4.745 4.935 0.340 5 0 "[ . 1]" 1
1722 1 67 PHE HB2 2 63 LEU QD 3.264 . 4.595 4.837 4.747 4.935 0.340 5 0 "[ . 1]" 1
1723 1 46 LEU HA 1 50 LEU MD1 2.676 . 3.571 3.410 3.332 3.454 . 0 0 "[ . 1]" 1
1724 1 46 LEU HA 2 50 LEU MD1 2.676 . 3.571 3.411 3.338 3.453 . 0 0 "[ . 1]" 1
1725 1 50 LEU HA 1 50 LEU MD1 2.109 . 2.665 1.943 1.933 1.962 . 0 0 "[ . 1]" 1
1726 2 50 LEU HA 2 50 LEU MD1 2.109 . 2.665 1.943 1.932 1.962 . 0 0 "[ . 1]" 1
1727 1 37 VAL MG1 1 68 LYS HA 2.941 . 4.022 3.862 3.718 4.059 0.037 9 0 "[ . 1]" 1
1728 2 37 VAL MG1 2 68 LYS HA 2.941 . 4.022 3.862 3.719 4.060 0.038 9 0 "[ . 1]" 1
1729 1 53 ARG HD2 1 54 LEU QD 3.243 . 4.558 4.413 4.254 4.588 0.030 1 0 "[ . 1]" 1
1730 1 42 PHE HB3 2 54 LEU QD 3.243 . 4.558 4.413 4.234 4.587 0.029 1 0 "[ . 1]" 1
1731 1 37 VAL HA 1 39 THR MG 3.171 . 4.428 4.389 4.239 4.444 0.016 2 0 "[ . 1]" 1
1732 2 37 VAL HA 2 39 THR MG 3.171 . 4.428 4.390 4.235 4.444 0.016 2 0 "[ . 1]" 1
1733 1 36 VAL MG1 1 42 PHE HB3 3.260 . 4.589 4.250 3.699 4.506 . 0 0 "[ . 1]" 1
1734 1 53 ARG HD2 2 36 VAL MG1 3.260 . 4.589 4.251 3.685 4.502 . 0 0 "[ . 1]" 1
1735 1 42 PHE HB3 1 46 LEU MD2 3.328 . 4.712 5.022 4.691 5.139 0.427 3 0 "[ . 1]" 1
1736 2 42 PHE HB3 2 46 LEU MD2 3.328 . 4.712 5.022 4.691 5.132 0.420 3 0 "[ . 1]" 1
1737 1 54 LEU QD 1 56 ASP HB3 2.787 . 3.758 3.171 3.092 3.260 . 0 0 "[ . 1]" 1
1738 1 37 VAL HA 2 54 LEU QD 2.787 . 3.758 3.170 3.075 3.259 . 0 0 "[ . 1]" 1
1739 1 50 LEU HG 1 54 LEU QD 2.310 . 2.977 2.296 2.026 2.420 . 0 0 "[ . 1]" 1
1740 2 50 LEU HG 2 54 LEU QD 2.310 . 2.977 2.294 2.028 2.422 . 0 0 "[ . 1]" 1
1741 1 37 VAL MG2 1 38 ALA MB 2.854 . 3.872 4.124 4.071 4.162 0.290 6 0 "[ . 1]" 1
1742 1 54 LEU HB2 2 37 VAL MG2 2.854 . 3.872 4.123 4.048 4.152 0.280 5 0 "[ . 1]" 1
1743 1 46 LEU MD2 1 49 PHE HB3 2.563 . 3.384 3.127 3.032 3.223 . 0 0 "[ . 1]" 1
1744 1 49 PHE HB3 2 46 LEU MD2 2.563 . 3.384 3.126 3.037 3.230 . 0 0 "[ . 1]" 1
1745 1 68 LYS HA 1 70 ALA MB 2.844 . 3.855 3.949 3.925 3.983 0.128 5 0 "[ . 1]" 1
1746 1 63 LEU HA 2 70 ALA MB 2.844 . 3.855 3.949 3.928 3.981 0.126 5 0 "[ . 1]" 1
1747 1 67 PHE HB2 1 70 ALA MB 3.287 . 4.638 4.502 4.436 4.571 . 0 0 "[ . 1]" 1
1748 1 67 PHE HB2 2 70 ALA MB 3.287 . 4.638 4.502 4.445 4.577 . 0 0 "[ . 1]" 1
1749 1 67 PHE HB3 1 70 ALA MB 2.803 . 3.785 3.824 3.761 3.886 0.101 9 0 "[ . 1]" 1
1750 1 67 PHE HB3 2 70 ALA MB 2.803 . 3.785 3.824 3.768 3.891 0.106 9 0 "[ . 1]" 1
1751 1 64 ARG HA 1 67 PHE HB3 3.020 . 4.160 3.879 3.851 3.928 . 0 0 "[ . 1]" 1
1752 2 64 ARG HA 2 67 PHE HB3 3.020 . 4.160 3.879 3.852 3.928 . 0 0 "[ . 1]" 1
1753 1 39 THR HA 1 40 GLU QG 2.915 . 3.977 3.610 3.451 3.722 . 0 0 "[ . 1]" 1
1754 2 39 THR HA 2 40 GLU QG 2.915 . 3.977 3.608 3.449 3.726 . 0 0 "[ . 1]" 1
1755 1 50 LEU QB 1 51 GLU HA 3.136 . 4.365 3.896 3.844 3.942 . 0 0 "[ . 1]" 1
1756 2 50 LEU QB 2 51 GLU HA 3.136 . 4.365 3.897 3.849 3.939 . 0 0 "[ . 1]" 1
1757 1 49 PHE HB3 1 50 LEU HA 3.252 . 4.574 4.252 4.210 4.294 . 0 0 "[ . 1]" 1
1758 2 49 PHE HB3 2 50 LEU HA 3.252 . 4.574 4.252 4.210 4.292 . 0 0 "[ . 1]" 1
1759 1 49 PHE HA 1 50 LEU HB2 3.293 . 4.648 4.020 3.882 4.262 . 0 0 "[ . 1]" 1
1760 2 49 PHE HA 2 50 LEU HB2 3.293 . 4.648 4.019 3.879 4.261 . 0 0 "[ . 1]" 1
1761 1 69 GLU HA 1 72 ARG H 2.694 . 3.601 3.013 2.908 3.116 . 0 0 "[ . 1]" 1
1762 2 69 GLU HA 2 72 ARG H 2.694 . 3.601 3.011 2.904 3.113 . 0 0 "[ . 1]" 1
1763 1 68 LYS HA 1 71 TRP HE1 3.801 . 5.607 5.142 5.131 5.157 . 0 0 "[ . 1]" 1
1764 2 68 LYS HA 2 71 TRP HE1 3.801 . 5.607 5.143 5.130 5.155 . 0 0 "[ . 1]" 1
1765 1 35 SER HA 1 71 TRP HE1 3.635 . 5.287 4.965 4.938 5.004 . 0 0 "[ . 1]" 1
1766 2 35 SER HA 2 71 TRP HE1 3.635 . 5.287 4.966 4.934 5.006 . 0 0 "[ . 1]" 1
1767 1 37 VAL H 1 71 TRP HE1 3.872 . 5.746 5.211 5.080 5.333 . 0 0 "[ . 1]" 1
1768 2 37 VAL H 2 71 TRP HE1 3.872 . 5.746 5.213 5.079 5.336 . 0 0 "[ . 1]" 1
1769 1 42 PHE H 1 43 TRP HE1 3.540 . 5.106 4.910 4.731 5.072 . 0 0 "[ . 1]" 1
1770 2 42 PHE H 2 43 TRP HE1 3.540 . 5.106 4.910 4.729 5.070 . 0 0 "[ . 1]" 1
1771 1 43 TRP HE1 1 43 TRP HH2 3.430 . 4.901 4.037 3.928 4.203 . 0 0 "[ . 1]" 1
1772 2 43 TRP HE1 2 43 TRP HH2 3.430 . 4.901 4.037 3.924 4.202 . 0 0 "[ . 1]" 1
1773 1 37 VAL HA 1 43 TRP HE1 3.256 . 4.581 3.816 3.727 3.968 . 0 0 "[ . 1]" 1
1774 2 37 VAL HA 2 43 TRP HE1 3.256 . 4.581 3.815 3.724 3.967 . 0 0 "[ . 1]" 1
1775 1 43 TRP HA 1 43 TRP HE1 3.878 . 5.758 4.667 4.605 4.736 . 0 0 "[ . 1]" 1
1776 2 43 TRP HA 2 43 TRP HE1 3.878 . 5.758 4.667 4.605 4.736 . 0 0 "[ . 1]" 1
1777 1 43 TRP HE1 1 68 LYS HB3 3.893 . 5.788 4.932 4.787 5.045 . 0 0 "[ . 1]" 1
1778 2 43 TRP HE1 2 68 LYS HB3 3.893 . 5.788 4.933 4.786 5.047 . 0 0 "[ . 1]" 1
1779 1 70 ALA MB 1 75 PHE H 4.200 . 6.405 6.174 6.115 6.239 . 0 0 "[ . 1]" 1
1780 2 70 ALA MB 2 75 PHE H 4.200 . 6.405 6.173 6.114 6.237 . 0 0 "[ . 1]" 1
1781 1 74 SER HA 1 75 PHE H 2.309 . 2.976 2.752 2.733 2.768 . 0 0 "[ . 1]" 1
1782 2 74 SER HA 2 75 PHE H 2.309 . 2.976 2.753 2.735 2.769 . 0 0 "[ . 1]" 1
1783 1 50 LEU H 1 52 GLN H 3.387 . 4.821 3.797 3.761 3.838 . 0 0 "[ . 1]" 1
1784 2 50 LEU H 2 52 GLN H 3.387 . 4.821 3.798 3.766 3.829 . 0 0 "[ . 1]" 1
1785 1 40 GLU H 1 42 PHE H 3.615 . 5.249 4.027 3.847 4.207 . 0 0 "[ . 1]" 1
1786 1 53 ARG HE 2 42 PHE H 3.615 . 5.249 4.025 3.847 4.208 . 0 0 "[ . 1]" 1
1787 1 34 GLU H 1 38 ALA H 3.698 . 5.408 4.558 4.349 4.835 . 0 0 "[ . 1]" 1
1788 2 34 GLU H 2 38 ALA H 3.698 . 5.408 4.559 4.350 4.835 . 0 0 "[ . 1]" 1
1789 1 70 ALA MB 1 74 SER H 3.529 . 5.086 4.399 4.343 4.478 . 0 0 "[ . 1]" 1
1790 2 70 ALA MB 2 74 SER H 3.529 . 5.086 4.399 4.345 4.474 . 0 0 "[ . 1]" 1
1791 1 68 LYS HG3 1 73 SER H 4.094 . 6.189 6.008 5.842 6.262 0.073 9 0 "[ . 1]" 1
1792 1 66 LEU HG 2 73 SER H 4.094 . 6.189 6.010 5.851 6.261 0.072 4 0 "[ . 1]" 1
1793 1 73 SER H 1 75 PHE H 3.385 . 4.818 4.016 3.910 4.107 . 0 0 "[ . 1]" 1
1794 2 73 SER H 2 75 PHE H 3.385 . 4.818 4.019 3.913 4.106 . 0 0 "[ . 1]" 1
1795 1 71 TRP HD1 1 72 ARG H 3.382 . 4.812 4.514 4.489 4.542 . 0 0 "[ . 1]" 1
1796 2 71 TRP HD1 2 72 ARG H 3.382 . 4.812 4.515 4.490 4.540 . 0 0 "[ . 1]" 1
1797 1 48 GLY H 1 51 GLU H 3.405 . 4.855 3.888 3.842 3.915 . 0 0 "[ . 1]" 1
1798 2 48 GLY H 2 51 GLU H 3.405 . 4.855 3.889 3.847 3.914 . 0 0 "[ . 1]" 1
1799 1 49 PHE H 1 51 GLU H 3.393 . 4.832 3.564 3.513 3.649 . 0 0 "[ . 1]" 1
1800 2 49 PHE H 2 51 GLU H 3.393 . 4.832 3.565 3.514 3.649 . 0 0 "[ . 1]" 1
1801 1 43 TRP HH2 1 71 TRP H 3.298 . 4.658 3.888 3.780 4.000 . 0 0 "[ . 1]" 1
1802 1 67 PHE HZ 2 71 TRP H 3.298 . 4.658 3.888 3.781 4.013 . 0 0 "[ . 1]" 1
1803 1 67 PHE HB2 1 71 TRP H 3.746 . 5.500 4.813 4.797 4.829 . 0 0 "[ . 1]" 1
1804 2 67 PHE HB2 2 71 TRP H 3.746 . 5.500 4.812 4.795 4.830 . 0 0 "[ . 1]" 1
1805 1 63 LEU HA 1 67 PHE H 2.848 . 3.862 3.287 3.235 3.329 . 0 0 "[ . 1]" 1
1806 2 63 LEU HA 2 67 PHE H 2.848 . 3.862 3.287 3.236 3.329 . 0 0 "[ . 1]" 1
1807 1 50 LEU QB 1 51 GLU H 3.120 . 4.337 2.732 2.659 2.791 . 0 0 "[ . 1]" 1
1808 2 50 LEU QB 2 51 GLU H 3.120 . 4.337 2.732 2.656 2.793 . 0 0 "[ . 1]" 1
1809 1 46 LEU H 1 47 GLN HB3 3.493 . 5.018 4.683 4.577 4.765 . 0 0 "[ . 1]" 1
1810 2 46 LEU H 2 47 GLN HB3 3.493 . 5.018 4.683 4.578 4.762 . 0 0 "[ . 1]" 1
1811 1 43 TRP HB2 1 46 LEU H 3.693 . 5.397 4.691 4.572 4.804 . 0 0 "[ . 1]" 1
1812 2 43 TRP HB2 2 46 LEU H 3.693 . 5.397 4.691 4.575 4.805 . 0 0 "[ . 1]" 1
1813 1 46 LEU H 1 46 LEU HG 3.234 . 4.541 4.352 4.341 4.369 . 0 0 "[ . 1]" 1
1814 2 46 LEU H 2 46 LEU HG 3.234 . 4.541 4.352 4.341 4.368 . 0 0 "[ . 1]" 1
1815 1 39 THR MG 1 40 GLU H 2.868 . 3.896 3.545 3.502 3.576 . 0 0 "[ . 1]" 1
1816 2 39 THR MG 2 40 GLU H 2.868 . 3.896 3.545 3.505 3.573 . 0 0 "[ . 1]" 1
1817 1 44 ASP HB2 1 45 ASP H 2.445 . 3.192 2.297 2.207 2.354 . 0 0 "[ . 1]" 1
1818 2 44 ASP HB2 2 45 ASP H 2.445 . 3.192 2.296 2.212 2.354 . 0 0 "[ . 1]" 1
1819 1 67 PHE HB3 1 70 ALA H 3.060 . 4.230 4.277 4.059 4.505 0.275 6 0 "[ . 1]" 1
1820 2 67 PHE HB3 2 70 ALA H 3.060 . 4.230 4.277 4.060 4.509 0.279 6 0 "[ . 1]" 1
1821 1 66 LEU HG 1 70 ALA H 3.242 . 4.556 4.337 4.301 4.392 . 0 0 "[ . 1]" 1
1822 1 66 LEU HG 2 70 ALA H 3.242 . 4.556 4.338 4.297 4.394 . 0 0 "[ . 1]" 1
1823 1 46 LEU MD2 1 49 PHE H 3.472 . 4.979 4.417 4.340 4.491 . 0 0 "[ . 1]" 1
1824 1 46 LEU MD2 2 49 PHE H 3.472 . 4.979 4.417 4.334 4.490 . 0 0 "[ . 1]" 1
1825 1 39 THR HA 1 40 GLU H 2.232 . 2.855 2.121 2.086 2.142 . 0 0 "[ . 1]" 1
1826 2 39 THR HA 2 40 GLU H 2.232 . 2.855 2.123 2.089 2.147 . 0 0 "[ . 1]" 1
1827 1 42 PHE HA 1 45 ASP H 3.044 . 4.202 3.528 3.453 3.616 . 0 0 "[ . 1]" 1
1828 2 42 PHE HA 2 45 ASP H 3.044 . 4.202 3.530 3.456 3.616 . 0 0 "[ . 1]" 1
1829 1 68 LYS HA 1 70 ALA H 3.338 . 4.731 3.850 3.808 3.886 . 0 0 "[ . 1]" 1
1830 2 68 LYS HA 2 70 ALA H 3.338 . 4.731 3.849 3.811 3.890 . 0 0 "[ . 1]" 1
1831 1 65 VAL MG2 1 66 LEU H 2.713 . 3.633 3.515 3.482 3.543 . 0 0 "[ . 1]" 1
1832 2 65 VAL MG2 2 66 LEU H 2.713 . 3.633 3.513 3.486 3.544 . 0 0 "[ . 1]" 1
1833 1 42 PHE HB2 1 43 TRP H 2.925 . 3.995 3.710 3.670 3.778 . 0 0 "[ . 1]" 1
1834 2 42 PHE HB2 2 43 TRP H 2.925 . 3.995 3.710 3.671 3.776 . 0 0 "[ . 1]" 1
1835 1 47 GLN H 1 47 GLN HG2 2.598 . 3.441 3.180 3.054 3.417 . 0 0 "[ . 1]" 1
1836 2 47 GLN H 2 47 GLN HG2 2.598 . 3.441 3.179 3.051 3.421 . 0 0 "[ . 1]" 1
1837 1 50 LEU HB3 1 64 ARG H 3.257 . 4.583 4.007 3.969 4.051 . 0 0 "[ . 1]" 1
1838 2 50 LEU HB3 2 64 ARG H 3.257 . 4.583 4.005 3.971 4.045 . 0 0 "[ . 1]" 1
1839 1 46 LEU HG 1 47 GLN H 3.447 . 4.932 4.234 4.199 4.249 . 0 0 "[ . 1]" 1
1840 2 46 LEU HG 2 47 GLN H 3.447 . 4.932 4.233 4.197 4.251 . 0 0 "[ . 1]" 1
1841 1 57 TYR HA 1 60 ALA H 2.894 . 3.941 3.142 3.092 3.222 . 0 0 "[ . 1]" 1
1842 2 57 TYR HA 2 60 ALA H 2.894 . 3.941 3.142 3.090 3.223 . 0 0 "[ . 1]" 1
1843 1 56 ASP HB3 1 60 ALA H 3.096 . 4.294 3.651 3.404 3.871 . 0 0 "[ . 1]" 1
1844 2 56 ASP HB3 2 60 ALA H 3.096 . 4.294 3.653 3.398 3.868 . 0 0 "[ . 1]" 1
1845 1 59 GLU HB2 1 60 ALA H 2.822 . 3.817 3.699 3.545 3.804 . 0 0 "[ . 1]" 1
1846 2 59 GLU HB2 2 60 ALA H 2.822 . 3.817 3.698 3.547 3.803 . 0 0 "[ . 1]" 1
1847 1 46 LEU HA 1 50 LEU H 3.124 . 4.344 4.211 4.156 4.283 . 0 0 "[ . 1]" 1
1848 2 46 LEU HA 2 50 LEU H 3.124 . 4.344 4.211 4.155 4.287 . 0 0 "[ . 1]" 1
1849 1 50 LEU H 1 50 LEU HB2 2.797 . 3.775 2.008 1.997 2.019 . 0 0 "[ . 1]" 1
1850 2 50 LEU H 2 50 LEU HB2 2.797 . 3.775 2.008 1.998 2.019 . 0 0 "[ . 1]" 1
1851 1 60 ALA HA 1 63 LEU H 2.665 . 3.553 2.759 2.741 2.772 . 0 0 "[ . 1]" 1
1852 2 60 ALA HA 2 63 LEU H 2.665 . 3.553 2.759 2.743 2.771 . 0 0 "[ . 1]" 1
1853 1 63 LEU H 1 63 LEU HB3 2.697 . 3.606 3.052 3.005 3.068 . 0 0 "[ . 1]" 1
1854 2 63 LEU H 2 63 LEU HB3 2.697 . 3.606 3.051 3.003 3.071 . 0 0 "[ . 1]" 1
1855 1 69 GLU H 1 70 ALA MB 2.918 . 3.982 3.775 3.712 3.866 . 0 0 "[ . 1]" 1
1856 1 70 ALA MB 2 69 GLU H 2.918 . 3.982 3.776 3.713 3.865 . 0 0 "[ . 1]" 1
1857 1 66 LEU HG 1 69 GLU H 3.021 . 4.162 4.555 4.527 4.588 0.426 5 0 "[ . 1]" 1
1858 2 66 LEU HG 2 69 GLU H 3.021 . 4.162 4.555 4.528 4.587 0.425 5 0 "[ . 1]" 1
1859 1 65 VAL MG1 1 69 GLU H 2.928 . 4.000 2.786 2.717 2.870 . 0 0 "[ . 1]" 1
1860 2 65 VAL MG1 2 69 GLU H 2.928 . 4.000 2.784 2.716 2.876 . 0 0 "[ . 1]" 1
1861 1 60 ALA MB 1 62 LYS H 3.279 . 4.623 2.312 2.168 2.436 . 0 0 "[ . 1]" 1
1862 2 60 ALA MB 2 62 LYS H 3.279 . 4.623 2.309 2.167 2.440 . 0 0 "[ . 1]" 1
1863 1 41 ALA H 1 42 PHE HB2 3.358 . 4.768 4.671 4.575 4.799 0.031 3 0 "[ . 1]" 1
1864 2 41 ALA H 2 42 PHE HB2 3.358 . 4.768 4.670 4.577 4.799 0.031 3 0 "[ . 1]" 1
1865 1 40 GLU QG 1 41 ALA H 3.356 . 4.764 3.825 2.221 4.147 . 0 0 "[ . 1]" 1
1866 2 40 GLU QG 2 41 ALA H 3.356 . 4.764 3.824 2.216 4.144 . 0 0 "[ . 1]" 1
1867 1 49 PHE HA 1 53 ARG H 2.951 . 4.040 3.329 3.291 3.384 . 0 0 "[ . 1]" 1
1868 2 49 PHE HA 2 53 ARG H 2.951 . 4.040 3.329 3.291 3.385 . 0 0 "[ . 1]" 1
1869 1 49 PHE HA 1 52 GLN H 2.516 . 3.307 2.675 2.650 2.701 . 0 0 "[ . 1]" 1
1870 2 49 PHE HA 2 52 GLN H 2.516 . 3.307 2.675 2.646 2.699 . 0 0 "[ . 1]" 1
1871 1 64 ARG HD3 1 65 VAL H 3.397 . 4.839 4.618 4.285 4.727 . 0 0 "[ . 1]" 1
1872 2 64 ARG HD3 2 65 VAL H 3.397 . 4.839 4.618 4.281 4.730 . 0 0 "[ . 1]" 1
1873 1 39 THR HA 1 42 PHE H 3.107 . 4.314 3.255 3.146 3.428 . 0 0 "[ . 1]" 1
1874 2 39 THR HA 2 42 PHE H 3.107 . 4.314 3.255 3.150 3.423 . 0 0 "[ . 1]" 1
1875 1 31 PRO QB 1 35 SER H 3.205 . 4.489 3.457 2.790 4.084 . 0 0 "[ . 1]" 1
1876 2 31 PRO QB 2 35 SER H 3.205 . 4.489 3.458 2.797 4.090 . 0 0 "[ . 1]" 1
1877 1 31 PRO QB 1 35 SER H 2.948 . 4.034 3.218 2.562 3.565 . 0 0 "[ . 1]" 1
1878 2 31 PRO QB 2 35 SER H 2.948 . 4.034 3.216 2.551 3.564 . 0 0 "[ . 1]" 1
1879 1 31 PRO HA 1 32 SER H 2.248 . 2.880 2.207 2.102 2.389 . 0 0 "[ . 1]" 1
1880 2 31 PRO HA 2 32 SER H 2.248 . 2.880 2.207 2.097 2.389 . 0 0 "[ . 1]" 1
1881 1 53 ARG HA 1 54 LEU H 2.738 . 3.675 2.760 2.744 2.771 . 0 0 "[ . 1]" 1
1882 2 53 ARG HA 2 54 LEU H 2.738 . 3.675 2.761 2.744 2.773 . 0 0 "[ . 1]" 1
1883 1 54 LEU H 1 55 LYS HA 3.165 . 4.417 4.311 4.119 4.446 0.029 10 0 "[ . 1]" 1
1884 1 33 GLY HA2 2 54 LEU H 3.165 . 4.417 4.311 4.113 4.455 0.038 10 0 "[ . 1]" 1
1885 1 31 PRO QB 1 32 SER H 3.082 . 4.269 2.954 2.346 3.750 . 0 0 "[ . 1]" 1
1886 2 31 PRO QB 2 32 SER H 3.082 . 4.269 2.954 2.351 3.750 . 0 0 "[ . 1]" 1
1887 1 51 GLU HG2 1 54 LEU H 3.332 . 4.720 4.419 4.252 4.529 . 0 0 "[ . 1]" 1
1888 2 51 GLU HG2 2 54 LEU H 3.332 . 4.720 4.419 4.251 4.529 . 0 0 "[ . 1]" 1
1889 1 57 TYR HA 1 61 ASN H 3.263 . 4.594 3.675 3.623 3.704 . 0 0 "[ . 1]" 1
1890 2 57 TYR HA 2 61 ASN H 3.263 . 4.594 3.675 3.620 3.706 . 0 0 "[ . 1]" 1
1891 1 47 GLN HG2 1 61 ASN H 3.372 . 4.793 4.546 4.329 4.735 . 0 0 "[ . 1]" 1
1892 2 47 GLN HG2 2 61 ASN H 3.372 . 4.793 4.547 4.328 4.736 . 0 0 "[ . 1]" 1
1893 1 59 GLU HB2 1 61 ASN H 3.230 . 4.534 4.209 4.127 4.270 . 0 0 "[ . 1]" 1
1894 2 59 GLU HB2 2 61 ASN H 3.230 . 4.534 4.208 4.125 4.272 . 0 0 "[ . 1]" 1
1895 1 51 GLU HG2 1 56 ASP H 3.161 . 4.410 3.623 3.470 3.679 . 0 0 "[ . 1]" 1
1896 2 51 GLU HG2 2 56 ASP H 3.161 . 4.410 3.623 3.469 3.684 . 0 0 "[ . 1]" 1
1897 1 54 LEU HB3 1 56 ASP H 3.041 . 4.197 3.114 3.025 3.215 . 0 0 "[ . 1]" 1
1898 2 54 LEU HB3 2 56 ASP H 3.041 . 4.197 3.114 3.028 3.216 . 0 0 "[ . 1]" 1
1899 1 34 GLU H 2 59 GLU HB3 3.482 . 4.998 4.733 4.107 5.057 0.059 6 0 "[ . 1]" 1
1900 1 59 GLU HB3 2 34 GLU H 3.482 . 4.998 4.734 4.176 5.038 0.040 6 0 "[ . 1]" 1
1901 1 47 GLN HG2 1 48 GLY H 3.157 . 4.403 3.679 3.555 3.828 . 0 0 "[ . 1]" 1
1902 2 47 GLN HG2 2 48 GLY H 3.157 . 4.403 3.678 3.559 3.822 . 0 0 "[ . 1]" 1
1903 1 44 ASP HB2 1 48 GLY H 3.695 . 5.401 5.018 4.974 5.062 . 0 0 "[ . 1]" 1
1904 2 44 ASP HB2 2 48 GLY H 3.695 . 5.401 5.018 4.975 5.063 . 0 0 "[ . 1]" 1
1905 1 67 PHE H 1 67 PHE QE 3.469 . 4.973 4.332 4.306 4.362 . 0 0 "[ . 1]" 1
1906 1 67 PHE QE 2 67 PHE H 3.469 . 4.973 4.332 4.307 4.359 . 0 0 "[ . 1]" 1
1907 1 43 TRP HH2 1 67 PHE H 3.601 . 5.222 5.008 4.933 5.096 . 0 0 "[ . 1]" 1
1908 1 67 PHE HZ 2 67 PHE H 3.601 . 5.222 5.007 4.931 5.095 . 0 0 "[ . 1]" 1
1909 1 64 ARG H 1 67 PHE H 3.415 . 4.873 3.832 3.805 3.863 . 0 0 "[ . 1]" 1
1910 2 64 ARG H 2 67 PHE H 3.415 . 4.873 3.832 3.801 3.865 . 0 0 "[ . 1]" 1
1911 1 63 LEU HA 1 64 ARG H 2.648 . 3.525 2.687 2.679 2.698 . 0 0 "[ . 1]" 1
1912 2 63 LEU HA 2 64 ARG H 2.648 . 3.525 2.687 2.680 2.697 . 0 0 "[ . 1]" 1
1913 1 64 ARG H 1 64 ARG HD3 3.532 . 5.092 4.414 4.357 4.477 . 0 0 "[ . 1]" 1
1914 2 64 ARG H 2 64 ARG HD3 3.532 . 5.092 4.415 4.358 4.475 . 0 0 "[ . 1]" 1
1915 1 52 GLN H 1 53 ARG QB 3.504 . 5.038 4.203 4.065 4.423 . 0 0 "[ . 1]" 1
1916 2 52 GLN H 2 53 ARG QB 3.504 . 5.038 4.204 4.073 4.423 . 0 0 "[ . 1]" 1
1917 1 50 LEU QB 1 52 GLN H 3.696 . 5.403 4.052 3.988 4.172 . 0 0 "[ . 1]" 1
1918 2 50 LEU QB 2 52 GLN H 3.696 . 5.403 4.053 3.980 4.176 . 0 0 "[ . 1]" 1
1919 1 34 GLU H 1 37 VAL H 3.191 . 4.464 3.338 3.030 3.722 . 0 0 "[ . 1]" 1
1920 2 34 GLU H 2 37 VAL H 3.191 . 4.464 3.338 3.037 3.723 . 0 0 "[ . 1]" 1
1921 1 34 GLU H 1 37 VAL H 3.720 . 5.449 3.456 3.057 4.068 . 0 0 "[ . 1]" 1
1922 2 34 GLU H 2 37 VAL H 3.720 . 5.449 3.456 3.063 4.065 . 0 0 "[ . 1]" 1
1923 1 43 TRP H 1 47 GLN H 3.889 . 5.780 5.094 4.966 5.171 . 0 0 "[ . 1]" 1
1924 1 49 PHE QE 2 47 GLN H 3.889 . 5.780 5.094 4.976 5.169 . 0 0 "[ . 1]" 1
1925 1 62 LYS H 1 63 LEU HB3 3.874 . 5.750 4.822 4.719 4.870 . 0 0 "[ . 1]" 1
1926 2 62 LYS H 2 63 LEU HB3 3.874 . 5.750 4.824 4.725 4.872 . 0 0 "[ . 1]" 1
1927 1 36 VAL MG2 1 43 TRP H 3.985 . 5.970 5.290 5.139 5.384 . 0 0 "[ . 1]" 1
1928 2 36 VAL MG2 2 43 TRP H 3.985 . 5.970 5.290 5.140 5.386 . 0 0 "[ . 1]" 1
1929 1 53 ARG HA 1 55 LYS H 3.066 . 4.241 3.290 3.266 3.318 . 0 0 "[ . 1]" 1
1930 2 53 ARG HA 2 55 LYS H 3.066 . 4.241 3.291 3.268 3.319 . 0 0 "[ . 1]" 1
1931 1 52 GLN HG2 1 55 LYS H 3.732 . 5.473 4.903 4.844 5.008 . 0 0 "[ . 1]" 1
1932 2 52 GLN HG2 2 55 LYS H 3.732 . 5.473 4.902 4.850 5.004 . 0 0 "[ . 1]" 1
1933 1 43 TRP H 1 46 LEU H 3.415 . 4.873 3.459 3.360 3.530 . 0 0 "[ . 1]" 1
1934 1 49 PHE QE 2 46 LEU H 3.415 . 4.873 3.459 3.341 3.519 . 0 0 "[ . 1]" 1
1935 1 43 TRP H 1 45 ASP H 3.341 . 4.737 4.110 4.033 4.144 . 0 0 "[ . 1]" 1
1936 1 49 PHE QE 2 45 ASP H 3.341 . 4.737 4.110 4.032 4.144 . 0 0 "[ . 1]" 1
1937 1 67 PHE QD 1 70 ALA H 3.730 . 5.469 4.375 4.351 4.412 . 0 0 "[ . 1]" 1
1938 1 67 PHE QD 2 70 ALA H 3.730 . 5.469 4.374 4.343 4.407 . 0 0 "[ . 1]" 1
1939 1 43 TRP HH2 1 70 ALA H 3.919 . 5.839 5.301 5.234 5.372 . 0 0 "[ . 1]" 1
1940 1 67 PHE HZ 2 70 ALA H 3.919 . 5.839 5.299 5.229 5.377 . 0 0 "[ . 1]" 1
1941 1 64 ARG H 1 66 LEU H 3.461 . 4.958 3.929 3.874 3.984 . 0 0 "[ . 1]" 1
1942 2 64 ARG H 2 66 LEU H 3.461 . 4.958 3.929 3.876 3.985 . 0 0 "[ . 1]" 1
1943 1 44 ASP HA 1 47 GLN H 3.159 . 4.407 3.477 3.409 3.558 . 0 0 "[ . 1]" 1
1944 2 44 ASP HA 2 47 GLN H 3.159 . 4.407 3.478 3.412 3.561 . 0 0 "[ . 1]" 1
1945 1 44 ASP HA 1 45 ASP H 2.605 . 3.453 2.739 2.728 2.745 . 0 0 "[ . 1]" 1
1946 2 44 ASP HA 2 45 ASP H 2.605 . 3.453 2.739 2.727 2.746 . 0 0 "[ . 1]" 1
1947 1 66 LEU HA 1 70 ALA H 2.756 . 3.705 3.339 3.329 3.357 . 0 0 "[ . 1]" 1
1948 2 66 LEU HA 2 70 ALA H 2.756 . 3.705 3.340 3.333 3.357 . 0 0 "[ . 1]" 1
1949 1 66 LEU H 1 67 PHE HB3 3.728 . 5.465 5.099 4.588 5.658 0.193 6 0 "[ . 1]" 1
1950 2 66 LEU H 2 67 PHE HB3 3.728 . 5.465 5.101 4.595 5.657 0.192 6 0 "[ . 1]" 1
1951 1 67 PHE QE 1 68 LYS H 3.581 . 5.184 5.065 5.012 5.134 . 0 0 "[ . 1]" 1
1952 1 67 PHE QE 2 68 LYS H 3.581 . 5.184 5.064 4.993 5.135 . 0 0 "[ . 1]" 1
1953 1 64 ARG H 1 64 ARG HE 4.089 . 6.179 4.928 4.808 5.372 . 0 0 "[ . 1]" 1
1954 2 64 ARG H 2 64 ARG HE 4.089 . 6.179 4.927 4.809 5.372 . 0 0 "[ . 1]" 1
1955 1 50 LEU HB3 1 63 LEU H 3.511 . 5.052 4.577 4.511 4.682 . 0 0 "[ . 1]" 1
1956 2 50 LEU HB3 2 63 LEU H 3.511 . 5.052 4.575 4.505 4.682 . 0 0 "[ . 1]" 1
1957 1 47 GLN HG3 1 61 ASN HD21 3.158 . 4.405 3.315 2.917 3.401 . 0 0 "[ . 1]" 1
1958 2 47 GLN HG3 2 61 ASN HD21 3.158 . 4.405 3.317 2.915 3.406 . 0 0 "[ . 1]" 1
1959 1 47 GLN HE21 1 61 ASN HD21 3.287 . 4.637 3.694 3.391 3.993 . 0 0 "[ . 1]" 1
1960 2 47 GLN HE21 2 61 ASN HD21 3.287 . 4.637 3.695 3.390 3.998 . 0 0 "[ . 1]" 1
1961 1 66 LEU HA 1 68 LYS H 3.416 . 4.875 4.228 4.188 4.288 . 0 0 "[ . 1]" 1
1962 2 66 LEU HA 2 68 LYS H 3.416 . 4.875 4.229 4.187 4.282 . 0 0 "[ . 1]" 1
1963 1 49 PHE HZ 1 53 ARG H 4.044 . 6.089 5.763 5.601 5.843 . 0 0 "[ . 1]" 1
1964 1 42 PHE HZ 2 53 ARG H 4.044 . 6.089 5.765 5.586 5.849 . 0 0 "[ . 1]" 1
1965 1 49 PHE HA 1 52 GLN HE22 4.204 . 6.413 4.604 3.125 4.980 . 0 0 "[ . 1]" 1
1966 2 49 PHE HA 2 52 GLN HE22 4.204 . 6.413 4.605 3.129 4.984 . 0 0 "[ . 1]" 1
1967 1 36 VAL HA 1 41 ALA H 4.001 . 6.002 5.177 5.147 5.194 . 0 0 "[ . 1]" 1
1968 2 36 VAL HA 2 41 ALA H 4.001 . 6.002 5.176 5.151 5.191 . 0 0 "[ . 1]" 1
1969 1 36 VAL H 1 39 THR H 3.511 . 5.052 4.807 4.747 4.856 . 0 0 "[ . 1]" 1
1970 2 36 VAL H 2 39 THR H 3.511 . 5.052 4.807 4.747 4.854 . 0 0 "[ . 1]" 1
1971 1 47 GLN HB3 1 47 GLN HE21 2.958 . 4.052 3.473 3.054 3.924 . 0 0 "[ . 1]" 1
1972 2 47 GLN HB3 2 47 GLN HE21 2.958 . 4.052 3.475 3.055 3.926 . 0 0 "[ . 1]" 1
1973 1 47 GLN HE21 1 51 GLU HA 4.227 . 6.461 5.352 4.810 5.497 . 0 0 "[ . 1]" 1
1974 2 47 GLN HE21 2 51 GLU HA 4.227 . 6.461 5.352 4.809 5.496 . 0 0 "[ . 1]" 1
1975 1 47 GLN HE22 1 47 GLN HG3 3.284 . 4.632 3.445 3.290 3.607 . 0 0 "[ . 1]" 1
1976 2 47 GLN HE22 2 47 GLN HG3 3.284 . 4.632 3.445 3.292 3.605 . 0 0 "[ . 1]" 1
1977 1 47 GLN HB3 1 47 GLN HE22 3.475 . 4.984 4.311 4.142 4.506 . 0 0 "[ . 1]" 1
1978 2 47 GLN HB3 2 47 GLN HE22 3.475 . 4.984 4.312 4.141 4.505 . 0 0 "[ . 1]" 1
1979 1 58 ASP HB3 1 60 ALA H 3.381 . 4.810 4.343 4.194 4.483 . 0 0 "[ . 1]" 1
1980 2 58 ASP HB3 2 60 ALA H 3.381 . 4.810 4.344 4.195 4.481 . 0 0 "[ . 1]" 1
1981 1 43 TRP HH2 1 69 GLU H 4.240 . 6.487 5.416 5.358 5.494 . 0 0 "[ . 1]" 1
1982 1 67 PHE HZ 2 69 GLU H 4.240 . 6.487 5.416 5.352 5.494 . 0 0 "[ . 1]" 1
1983 1 52 GLN HG2 1 54 LEU H 4.087 . 6.175 5.490 5.423 5.568 . 0 0 "[ . 1]" 1
1984 2 52 GLN HG2 2 54 LEU H 4.087 . 6.175 5.491 5.421 5.563 . 0 0 "[ . 1]" 1
1985 1 51 GLU HG3 1 54 LEU H 4.002 . 6.004 5.635 5.526 5.701 . 0 0 "[ . 1]" 1
1986 2 51 GLU HG3 2 54 LEU H 4.002 . 6.004 5.635 5.524 5.707 . 0 0 "[ . 1]" 1
1987 1 31 PRO QB 1 33 GLY H 3.733 . 5.475 3.093 2.480 4.441 . 0 0 "[ . 1]" 1
1988 1 55 LYS QB 2 33 GLY H 3.733 . 5.475 3.096 2.478 4.447 . 0 0 "[ . 1]" 1
1989 1 31 PRO QD 1 32 SER H 3.727 . 5.463 4.756 4.046 4.868 . 0 0 "[ . 1]" 1
1990 2 31 PRO QD 2 32 SER H 3.727 . 5.463 4.756 4.044 4.868 . 0 0 "[ . 1]" 1
1991 1 53 ARG H 1 56 ASP H 4.250 . 6.508 5.513 5.442 5.580 . 0 0 "[ . 1]" 1
1992 2 53 ARG H 2 56 ASP H 4.250 . 6.508 5.513 5.440 5.575 . 0 0 "[ . 1]" 1
1993 1 42 PHE QD 1 42 PHE HZ 2.984 . 4.097 3.523 3.368 3.595 . 0 0 "[ . 1]" 1
1994 1 49 PHE HZ 2 42 PHE QD 2.984 . 4.097 3.525 3.379 3.593 . 0 0 "[ . 1]" 1
1995 1 42 PHE QD 1 43 TRP HZ2 3.571 . 5.165 4.009 3.914 4.088 . 0 0 "[ . 1]" 1
1996 1 49 PHE QD 2 42 PHE QD 3.571 . 5.165 4.008 3.914 4.087 . 0 0 "[ . 1]" 1
1997 1 39 THR H 1 42 PHE QD 2.928 . 4.000 3.402 3.216 3.547 . 0 0 "[ . 1]" 1
1998 2 39 THR H 2 42 PHE QD 2.928 . 4.000 3.402 3.217 3.550 . 0 0 "[ . 1]" 1
1999 1 42 PHE H 1 42 PHE QD 3.048 . 4.210 3.637 3.542 3.749 . 0 0 "[ . 1]" 1
2000 2 42 PHE H 2 42 PHE QD 3.048 . 4.210 3.637 3.544 3.748 . 0 0 "[ . 1]" 1
2001 1 42 PHE QD 1 43 TRP HH2 3.752 . 5.512 4.615 4.531 4.709 . 0 0 "[ . 1]" 1
2002 1 67 PHE HZ 2 42 PHE QD 3.752 . 5.512 4.615 4.531 4.710 . 0 0 "[ . 1]" 1
2003 1 39 THR H 1 42 PHE QE 3.832 . 5.668 5.110 4.927 5.224 . 0 0 "[ . 1]" 1
2004 2 39 THR H 2 42 PHE QE 3.832 . 5.668 5.110 4.928 5.228 . 0 0 "[ . 1]" 1
2005 1 42 PHE QE 1 43 TRP HH2 2.960 . 4.055 3.002 2.920 3.060 . 0 0 "[ . 1]" 1
2006 1 67 PHE HZ 2 42 PHE QE 2.960 . 4.055 3.001 2.921 3.071 . 0 0 "[ . 1]" 1
2007 1 42 PHE QE 1 43 TRP HZ2 3.269 . 4.605 3.352 3.167 3.555 . 0 0 "[ . 1]" 1
2008 1 49 PHE QD 2 42 PHE QE 3.269 . 4.605 3.352 3.175 3.559 . 0 0 "[ . 1]" 1
2009 1 42 PHE HA 1 42 PHE QE 3.588 . 5.198 3.846 3.797 3.891 . 0 0 "[ . 1]" 1
2010 2 42 PHE HA 2 42 PHE QE 3.588 . 5.198 3.847 3.797 3.892 . 0 0 "[ . 1]" 1
2011 1 42 PHE QE 1 46 LEU HB2 3.703 . 5.417 3.791 3.729 3.896 . 0 0 "[ . 1]" 1
2012 2 42 PHE QE 2 46 LEU HB2 3.703 . 5.417 3.792 3.728 3.899 . 0 0 "[ . 1]" 1
2013 1 42 PHE QE 1 46 LEU HB3 3.111 . 4.321 3.453 3.340 3.532 . 0 0 "[ . 1]" 1
2014 1 63 LEU QD 2 42 PHE QE 3.111 . 4.321 3.452 3.312 3.541 . 0 0 "[ . 1]" 1
2015 1 42 PHE QD 1 46 LEU MD1 3.655 . 5.325 4.715 4.636 4.800 . 0 0 "[ . 1]" 1
2016 1 54 LEU HG 2 42 PHE QD 3.655 . 5.325 4.714 4.599 4.786 . 0 0 "[ . 1]" 1
2017 1 42 PHE QD 1 46 LEU HG 3.052 . 4.216 2.856 2.440 3.129 . 0 0 "[ . 1]" 1
2018 1 50 LEU MD1 2 42 PHE QD 3.052 . 4.216 2.854 2.428 3.123 . 0 0 "[ . 1]" 1
2019 1 42 PHE QD 1 42 PHE HZ 3.034 . 4.185 3.525 3.380 3.592 . 0 0 "[ . 1]" 1
2020 1 42 PHE QD 2 49 PHE HZ 3.034 . 4.185 3.523 3.368 3.596 . 0 0 "[ . 1]" 1
2021 1 42 PHE HZ 2 63 LEU QD 2.895 . 3.943 3.041 2.853 3.151 . 0 0 "[ . 1]" 1
2022 1 46 LEU HB3 2 49 PHE HZ 2.895 . 3.943 3.039 2.811 3.164 . 0 0 "[ . 1]" 1
2023 1 42 PHE HZ 1 46 LEU MD1 3.524 . 5.077 4.061 4.007 4.133 . 0 0 "[ . 1]" 1
2024 1 46 LEU MD1 2 42 PHE HZ 3.524 . 5.077 4.061 4.014 4.135 . 0 0 "[ . 1]" 1
2025 1 42 PHE HZ 1 43 TRP HH2 3.534 . 5.095 3.837 3.764 3.940 . 0 0 "[ . 1]" 1
2026 1 67 PHE HZ 2 42 PHE HZ 3.534 . 5.095 3.836 3.751 3.957 . 0 0 "[ . 1]" 1
2027 1 42 PHE QE 1 71 TRP HB2 3.871 . 5.744 4.753 4.651 4.804 . 0 0 "[ . 1]" 1
2028 1 54 LEU HA 2 42 PHE QE 3.871 . 5.744 4.752 4.646 4.808 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 96
_Distance_constraint_stats_list.Viol_count 74
_Distance_constraint_stats_list.Viol_total 19.886
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0269
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 34 GLU 0.006 0.006 5 0 "[ . 1]"
1 38 ALA 0.006 0.006 5 0 "[ . 1]"
1 40 GLU 0.026 0.026 9 0 "[ . 1]"
1 41 ALA 0.000 0.000 . 0 "[ . 1]"
1 42 PHE 0.268 0.043 9 0 "[ . 1]"
1 43 TRP 0.000 0.000 . 0 "[ . 1]"
1 44 ASP 0.026 0.026 9 0 "[ . 1]"
1 45 ASP 0.000 0.000 . 0 "[ . 1]"
1 46 LEU 0.268 0.043 9 0 "[ . 1]"
1 47 GLN 0.451 0.075 9 0 "[ . 1]"
1 48 GLY 0.000 0.000 . 0 "[ . 1]"
1 49 PHE 0.000 0.000 . 0 "[ . 1]"
1 50 LEU 0.060 0.019 1 0 "[ . 1]"
1 51 GLU 0.451 0.075 9 0 "[ . 1]"
1 52 GLN 0.000 0.000 . 0 "[ . 1]"
1 53 ARG 0.000 0.000 . 0 "[ . 1]"
1 54 LEU 0.060 0.019 1 0 "[ . 1]"
1 57 TYR 0.000 0.000 . 0 "[ . 1]"
1 58 ASP 0.000 0.000 . 0 "[ . 1]"
1 59 GLU 0.000 0.000 . 0 "[ . 1]"
1 60 ALA 0.000 0.000 . 0 "[ . 1]"
1 61 ASN 0.000 0.000 . 0 "[ . 1]"
1 62 LYS 0.000 0.000 . 0 "[ . 1]"
1 63 LEU 0.187 0.036 10 0 "[ . 1]"
1 64 ARG 0.000 0.000 . 0 "[ . 1]"
1 65 VAL 0.000 0.000 . 0 "[ . 1]"
1 66 LEU 0.000 0.000 . 0 "[ . 1]"
1 67 PHE 0.187 0.036 10 0 "[ . 1]"
1 68 LYS 0.000 0.000 . 0 "[ . 1]"
1 69 GLU 0.000 0.000 . 0 "[ . 1]"
1 70 ALA 0.000 0.000 . 0 "[ . 1]"
1 71 TRP 0.000 0.000 . 0 "[ . 1]"
1 72 ARG 0.000 0.000 . 0 "[ . 1]"
2 34 GLU 0.009 0.008 6 0 "[ . 1]"
2 38 ALA 0.009 0.008 6 0 "[ . 1]"
2 40 GLU 0.027 0.027 9 0 "[ . 1]"
2 41 ALA 0.000 0.000 . 0 "[ . 1]"
2 42 PHE 0.265 0.044 9 0 "[ . 1]"
2 43 TRP 0.000 0.000 . 0 "[ . 1]"
2 44 ASP 0.027 0.027 9 0 "[ . 1]"
2 45 ASP 0.000 0.000 . 0 "[ . 1]"
2 46 LEU 0.265 0.044 9 0 "[ . 1]"
2 47 GLN 0.450 0.080 9 0 "[ . 1]"
2 48 GLY 0.000 0.000 . 0 "[ . 1]"
2 49 PHE 0.000 0.000 . 0 "[ . 1]"
2 50 LEU 0.056 0.018 1 0 "[ . 1]"
2 51 GLU 0.450 0.080 9 0 "[ . 1]"
2 52 GLN 0.000 0.000 . 0 "[ . 1]"
2 53 ARG 0.000 0.000 . 0 "[ . 1]"
2 54 LEU 0.056 0.018 1 0 "[ . 1]"
2 57 TYR 0.000 0.000 . 0 "[ . 1]"
2 58 ASP 0.000 0.000 . 0 "[ . 1]"
2 59 GLU 0.000 0.000 . 0 "[ . 1]"
2 60 ALA 0.000 0.000 . 0 "[ . 1]"
2 61 ASN 0.000 0.000 . 0 "[ . 1]"
2 62 LYS 0.000 0.000 . 0 "[ . 1]"
2 63 LEU 0.184 0.037 10 0 "[ . 1]"
2 64 ARG 0.000 0.000 . 0 "[ . 1]"
2 65 VAL 0.000 0.000 . 0 "[ . 1]"
2 66 LEU 0.000 0.000 . 0 "[ . 1]"
2 67 PHE 0.184 0.037 10 0 "[ . 1]"
2 68 LYS 0.000 0.000 . 0 "[ . 1]"
2 69 GLU 0.000 0.000 . 0 "[ . 1]"
2 70 ALA 0.000 0.000 . 0 "[ . 1]"
2 71 TRP 0.000 0.000 . 0 "[ . 1]"
2 72 ARG 0.000 0.000 . 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 34 GLU O 1 38 ALA H 2.000 . 2.300 2.222 2.107 2.306 0.006 5 0 "[ . 1]" 2
2 1 34 GLU O 1 38 ALA N 3.000 2.800 3.300 2.917 2.862 3.006 . 0 0 "[ . 1]" 2
3 1 68 LYS O 1 72 ARG H 2.000 . 2.300 1.965 1.929 1.998 . 0 0 "[ . 1]" 2
4 1 68 LYS O 1 72 ARG N 3.000 2.800 3.300 2.857 2.837 2.870 . 0 0 "[ . 1]" 2
5 1 67 PHE O 1 71 TRP H 2.000 . 2.300 1.942 1.918 1.971 . 0 0 "[ . 1]" 2
6 1 67 PHE O 1 71 TRP N 3.000 2.800 3.300 2.856 2.826 2.903 . 0 0 "[ . 1]" 2
7 1 66 LEU O 1 70 ALA H 2.000 . 2.300 2.102 2.058 2.143 . 0 0 "[ . 1]" 2
8 1 66 LEU O 1 70 ALA N 3.000 2.800 3.300 2.959 2.928 3.007 . 0 0 "[ . 1]" 2
9 1 65 VAL O 1 69 GLU H 2.000 . 2.300 2.021 1.977 2.061 . 0 0 "[ . 1]" 2
10 1 65 VAL O 1 69 GLU N 3.000 2.800 3.300 2.869 2.822 2.920 . 0 0 "[ . 1]" 2
11 1 64 ARG O 1 68 LYS H 2.000 . 2.300 2.140 2.097 2.191 . 0 0 "[ . 1]" 2
12 1 64 ARG O 1 68 LYS N 3.000 2.800 3.300 3.012 2.977 3.050 . 0 0 "[ . 1]" 2
13 1 63 LEU O 1 67 PHE H 2.000 . 2.300 1.825 1.803 1.832 . 0 0 "[ . 1]" 2
14 1 63 LEU O 1 67 PHE N 3.000 2.800 3.300 2.781 2.764 2.796 0.036 10 0 "[ . 1]" 2
15 1 62 LYS O 1 66 LEU H 2.000 . 2.300 1.983 1.954 2.055 . 0 0 "[ . 1]" 2
16 1 62 LYS O 1 66 LEU N 3.000 2.800 3.300 2.919 2.895 2.958 . 0 0 "[ . 1]" 2
17 1 61 ASN O 1 65 VAL H 2.000 . 2.300 2.107 2.033 2.176 . 0 0 "[ . 1]" 2
18 1 61 ASN O 1 65 VAL N 3.000 2.800 3.300 2.985 2.944 3.051 . 0 0 "[ . 1]" 2
19 1 60 ALA O 1 64 ARG H 2.000 . 2.300 2.030 1.993 2.050 . 0 0 "[ . 1]" 2
20 1 60 ALA O 1 64 ARG N 3.000 2.800 3.300 2.930 2.903 2.960 . 0 0 "[ . 1]" 2
21 1 59 GLU O 1 63 LEU H 2.000 . 2.300 2.045 1.993 2.145 . 0 0 "[ . 1]" 2
22 1 59 GLU O 1 63 LEU N 3.000 2.800 3.300 2.904 2.849 3.010 . 0 0 "[ . 1]" 2
23 1 58 ASP O 1 62 LYS H 2.000 . 2.300 2.003 1.967 2.068 . 0 0 "[ . 1]" 2
24 1 58 ASP O 1 62 LYS N 3.000 2.800 3.300 2.957 2.916 3.037 . 0 0 "[ . 1]" 2
25 1 57 TYR O 1 61 ASN H 2.000 . 2.300 2.008 1.927 2.094 . 0 0 "[ . 1]" 2
26 1 57 TYR O 1 61 ASN N 3.000 2.800 3.300 2.879 2.823 2.919 . 0 0 "[ . 1]" 2
27 1 50 LEU O 1 54 LEU H 2.000 . 2.300 1.896 1.865 1.920 . 0 0 "[ . 1]" 2
28 1 50 LEU O 1 54 LEU N 3.000 2.800 3.300 2.801 2.781 2.832 0.019 1 0 "[ . 1]" 2
29 1 49 PHE O 1 53 ARG H 2.000 . 2.300 1.974 1.893 2.116 . 0 0 "[ . 1]" 2
30 1 49 PHE O 1 53 ARG N 3.000 2.800 3.300 2.918 2.834 3.055 . 0 0 "[ . 1]" 2
31 1 48 GLY O 1 52 GLN H 2.000 . 2.300 2.087 2.038 2.117 . 0 0 "[ . 1]" 2
32 1 48 GLY O 1 52 GLN N 3.000 2.800 3.300 3.041 2.999 3.076 . 0 0 "[ . 1]" 2
33 1 47 GLN O 1 51 GLU H 2.000 . 2.300 1.864 1.808 1.916 . 0 0 "[ . 1]" 2
34 1 47 GLN O 1 51 GLU N 3.000 2.800 3.300 2.755 2.725 2.788 0.075 9 0 "[ . 1]" 2
35 1 46 LEU O 1 50 LEU H 2.000 . 2.300 2.127 2.072 2.173 . 0 0 "[ . 1]" 2
36 1 46 LEU O 1 50 LEU N 3.000 2.800 3.300 3.025 2.980 3.065 . 0 0 "[ . 1]" 2
37 1 45 ASP O 1 49 PHE H 2.000 . 2.300 1.970 1.939 2.018 . 0 0 "[ . 1]" 2
38 1 45 ASP O 1 49 PHE N 3.000 2.800 3.300 2.851 2.809 2.899 . 0 0 "[ . 1]" 2
39 1 44 ASP O 1 48 GLY H 2.000 . 2.300 2.013 1.976 2.062 . 0 0 "[ . 1]" 2
40 1 44 ASP O 1 48 GLY N 3.000 2.800 3.300 2.870 2.832 2.933 . 0 0 "[ . 1]" 2
41 1 43 TRP O 1 47 GLN H 2.000 . 2.300 1.954 1.942 1.972 . 0 0 "[ . 1]" 2
42 1 43 TRP O 1 47 GLN N 3.000 2.800 3.300 2.894 2.879 2.905 . 0 0 "[ . 1]" 2
43 1 42 PHE O 1 46 LEU H 2.000 . 2.300 1.854 1.837 1.884 . 0 0 "[ . 1]" 2
44 1 42 PHE O 1 46 LEU N 3.000 2.800 3.300 2.773 2.757 2.785 0.043 9 0 "[ . 1]" 2
45 1 41 ALA O 1 45 ASP H 2.000 . 2.300 2.008 1.981 2.054 . 0 0 "[ . 1]" 2
46 1 41 ALA O 1 45 ASP N 3.000 2.800 3.300 2.971 2.934 3.025 . 0 0 "[ . 1]" 2
47 1 40 GLU O 1 44 ASP H 2.000 . 2.300 1.960 1.917 1.982 . 0 0 "[ . 1]" 2
48 1 40 GLU O 1 44 ASP N 3.000 2.800 3.300 2.819 2.774 2.842 0.026 9 0 "[ . 1]" 2
49 2 34 GLU O 2 38 ALA H 2.000 . 2.300 2.224 2.102 2.308 0.008 6 0 "[ . 1]" 2
50 2 34 GLU O 2 38 ALA N 3.000 2.800 3.300 2.917 2.864 3.003 . 0 0 "[ . 1]" 2
51 2 68 LYS O 2 72 ARG H 2.000 . 2.300 1.963 1.934 1.999 . 0 0 "[ . 1]" 2
52 2 68 LYS O 2 72 ARG N 3.000 2.800 3.300 2.855 2.840 2.868 . 0 0 "[ . 1]" 2
53 2 67 PHE O 2 71 TRP H 2.000 . 2.300 1.941 1.915 1.971 . 0 0 "[ . 1]" 2
54 2 67 PHE O 2 71 TRP N 3.000 2.800 3.300 2.855 2.821 2.903 . 0 0 "[ . 1]" 2
55 2 66 LEU O 2 70 ALA H 2.000 . 2.300 2.105 2.062 2.154 . 0 0 "[ . 1]" 2
56 2 66 LEU O 2 70 ALA N 3.000 2.800 3.300 2.960 2.931 3.014 . 0 0 "[ . 1]" 2
57 2 65 VAL O 2 69 GLU H 2.000 . 2.300 2.020 1.972 2.057 . 0 0 "[ . 1]" 2
58 2 65 VAL O 2 69 GLU N 3.000 2.800 3.300 2.870 2.828 2.920 . 0 0 "[ . 1]" 2
59 2 64 ARG O 2 68 LYS H 2.000 . 2.300 2.139 2.093 2.180 . 0 0 "[ . 1]" 2
60 2 64 ARG O 2 68 LYS N 3.000 2.800 3.300 3.011 2.971 3.045 . 0 0 "[ . 1]" 2
61 2 63 LEU O 2 67 PHE H 2.000 . 2.300 1.825 1.804 1.835 . 0 0 "[ . 1]" 2
62 2 63 LEU O 2 67 PHE N 3.000 2.800 3.300 2.782 2.763 2.797 0.037 10 0 "[ . 1]" 2
63 2 62 LYS O 2 66 LEU H 2.000 . 2.300 1.980 1.947 2.056 . 0 0 "[ . 1]" 2
64 2 62 LYS O 2 66 LEU N 3.000 2.800 3.300 2.917 2.891 2.959 . 0 0 "[ . 1]" 2
65 2 61 ASN O 2 65 VAL H 2.000 . 2.300 2.105 2.028 2.165 . 0 0 "[ . 1]" 2
66 2 61 ASN O 2 65 VAL N 3.000 2.800 3.300 2.984 2.938 3.045 . 0 0 "[ . 1]" 2
67 2 60 ALA O 2 64 ARG H 2.000 . 2.300 2.032 1.996 2.057 . 0 0 "[ . 1]" 2
68 2 60 ALA O 2 64 ARG N 3.000 2.800 3.300 2.931 2.905 2.958 . 0 0 "[ . 1]" 2
69 2 59 GLU O 2 63 LEU H 2.000 . 2.300 2.046 1.996 2.150 . 0 0 "[ . 1]" 2
70 2 59 GLU O 2 63 LEU N 3.000 2.800 3.300 2.904 2.847 3.014 . 0 0 "[ . 1]" 2
71 2 58 ASP O 2 62 LYS H 2.000 . 2.300 2.001 1.962 2.067 . 0 0 "[ . 1]" 2
72 2 58 ASP O 2 62 LYS N 3.000 2.800 3.300 2.956 2.916 3.037 . 0 0 "[ . 1]" 2
73 2 57 TYR O 2 61 ASN H 2.000 . 2.300 2.010 1.929 2.090 . 0 0 "[ . 1]" 2
74 2 57 TYR O 2 61 ASN N 3.000 2.800 3.300 2.881 2.827 2.922 . 0 0 "[ . 1]" 2
75 2 50 LEU O 2 54 LEU H 2.000 . 2.300 1.897 1.868 1.920 . 0 0 "[ . 1]" 2
76 2 50 LEU O 2 54 LEU N 3.000 2.800 3.300 2.802 2.782 2.832 0.018 1 0 "[ . 1]" 2
77 2 49 PHE O 2 53 ARG H 2.000 . 2.300 1.977 1.901 2.124 . 0 0 "[ . 1]" 2
78 2 49 PHE O 2 53 ARG N 3.000 2.800 3.300 2.920 2.839 3.063 . 0 0 "[ . 1]" 2
79 2 48 GLY O 2 52 GLN H 2.000 . 2.300 2.086 2.041 2.116 . 0 0 "[ . 1]" 2
80 2 48 GLY O 2 52 GLN N 3.000 2.800 3.300 3.040 3.002 3.078 . 0 0 "[ . 1]" 2
81 2 47 GLN O 2 51 GLU H 2.000 . 2.300 1.864 1.806 1.917 . 0 0 "[ . 1]" 2
82 2 47 GLN O 2 51 GLU N 3.000 2.800 3.300 2.755 2.720 2.787 0.080 9 0 "[ . 1]" 2
83 2 46 LEU O 2 50 LEU H 2.000 . 2.300 2.128 2.069 2.177 . 0 0 "[ . 1]" 2
84 2 46 LEU O 2 50 LEU N 3.000 2.800 3.300 3.025 2.980 3.067 . 0 0 "[ . 1]" 2
85 2 45 ASP O 2 49 PHE H 2.000 . 2.300 1.968 1.936 2.018 . 0 0 "[ . 1]" 2
86 2 45 ASP O 2 49 PHE N 3.000 2.800 3.300 2.850 2.808 2.898 . 0 0 "[ . 1]" 2
87 2 44 ASP O 2 48 GLY H 2.000 . 2.300 2.013 1.974 2.064 . 0 0 "[ . 1]" 2
88 2 44 ASP O 2 48 GLY N 3.000 2.800 3.300 2.871 2.835 2.938 . 0 0 "[ . 1]" 2
89 2 43 TRP O 2 47 GLN H 2.000 . 2.300 1.956 1.948 1.974 . 0 0 "[ . 1]" 2
90 2 43 TRP O 2 47 GLN N 3.000 2.800 3.300 2.896 2.882 2.907 . 0 0 "[ . 1]" 2
91 2 42 PHE O 2 46 LEU H 2.000 . 2.300 1.855 1.833 1.886 . 0 0 "[ . 1]" 2
92 2 42 PHE O 2 46 LEU N 3.000 2.800 3.300 2.773 2.756 2.790 0.044 9 0 "[ . 1]" 2
93 2 41 ALA O 2 45 ASP H 2.000 . 2.300 2.008 1.985 2.056 . 0 0 "[ . 1]" 2
94 2 41 ALA O 2 45 ASP N 3.000 2.800 3.300 2.972 2.935 3.027 . 0 0 "[ . 1]" 2
95 2 40 GLU O 2 44 ASP H 2.000 . 2.300 1.959 1.913 1.979 . 0 0 "[ . 1]" 2
96 2 40 GLU O 2 44 ASP N 3.000 2.800 3.300 2.818 2.773 2.841 0.027 9 0 "[ . 1]" 2
stop_
save_
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