NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424880 |
2g9j   |
7080 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2g9j
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 1625
_Distance_constraint_stats_list.Viol_count 1952
_Distance_constraint_stats_list.Viol_total 282482.438
_Distance_constraint_stats_list.Viol_max 53.834
_Distance_constraint_stats_list.Viol_rms 6.0237
_Distance_constraint_stats_list.Viol_average_all_restraints 1.7384
_Distance_constraint_stats_list.Viol_average_violations_only 14.4714
_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 7 ASP 0.000 0.000 . 0 "[ . 1]"
1 8 ASP 2652.787 46.268 7 10 [***-**+***]
1 9 LEU 0.000 0.000 . 0 "[ . 1]"
1 10 GLU 1215.728 38.283 7 10 [-*****+***]
1 11 ASP 626.560 25.433 9 10 [-*******+*]
1 12 GLU 1264.952 53.834 5 10 [-***+*****]
1 13 LEU 6.336 1.594 10 6 "[* -** * +]"
1 14 TYR 2683.800 30.899 9 10 [**-*****+*]
1 15 ALA 1184.260 41.857 7 10 [-*****+***]
1 16 GLN 12.367 1.594 10 9 "[***-**** +]"
1 17 LYS 0.000 0.000 . 0 "[ . 1]"
1 18 LEU 3134.598 23.510 9 10 [**-*****+*]
1 19 LYS 452.237 13.882 9 10 [-*******+*]
1 20 TYR 6.031 0.942 6 8 "[***-*+** 1]"
1 21 LYS 8.121 0.946 10 10 [**-******+]
1 22 ALA 479.027 23.361 6 10 [**-**+****]
1 23 ILE 9.579 1.029 8 10 [-******+**]
1 24 SER 8.710 0.958 3 10 [**+-******]
1 25 GLU 649.914 27.560 6 10 [*****+***-]
1 26 GLU 593.321 21.455 6 10 [*****+***-]
1 27 LEU 20.682 1.062 6 10 [*-***+****]
1 28 ASP 337.869 18.836 6 10 [*-***+****]
1 29 HIS 423.543 24.667 9 10 [****-***+*]
1 30 ALA 40.776 1.887 9 10 [***-****+*]
1 31 LEU 22.079 2.481 8 10 [-******+**]
1 32 LYS 1917.172 27.898 5 10 [****+**-**]
1 33 ASP 414.471 18.764 6 10 [*****+*-**]
1 34 MET 78.474 2.755 9 10 [***-****+*]
1 35 THR 235.918 20.405 6 10 [*-***+****]
1 36 SER 859.539 27.400 6 10 [*****+****]
1 37 ILE 73.421 5.382 9 10 [*****-**+*]
2 2 MET 305.345 17.696 5 10 [**-*+*****]
2 3 ASP 0.000 0.000 . 0 "[ . 1]"
2 4 ALA 0.035 0.023 7 0 "[ . 1]"
2 5 ILE 237.548 24.993 9 10 [-*******+*]
2 6 LYS 0.491 0.202 7 0 "[ . 1]"
2 7 LYS 0.035 0.023 7 0 "[ . 1]"
2 8 LYS 0.000 0.000 . 0 "[ . 1]"
2 9 MET 150.085 15.912 6 10 [*-***+****]
2 10 GLN 0.038 0.020 5 0 "[ . 1]"
2 11 MET 0.000 0.000 . 0 "[ . 1]"
2 12 LEU 1681.105 19.984 6 10 [-****+****]
2 13 LYS 1022.058 22.331 3 10 [*-+*******]
2 14 LEU 0.038 0.020 5 0 "[ . 1]"
2 15 ASP 8.423 0.889 10 10 [**-******+]
2 16 ASN 508.719 18.106 6 10 [*****+***-]
2 17 TYR 8.549 0.968 3 10 [**+******-]
2 18 HIS 8.622 1.019 3 10 [**+******-]
2 19 LEU 592.577 21.455 6 10 [*****+**-*]
2 20 GLU 281.615 27.560 6 10 [*****+**-*]
2 21 ASN 17.609 1.088 3 10 [**+*-*****]
2 22 GLU 17.507 1.013 2 10 [*+**-*****]
2 23 VAL 1107.849 23.361 6 10 [*****+***-]
2 24 ALA 17.528 0.965 2 10 [*+*******-]
2 25 ARG 9.002 0.965 2 10 [*+*****-**]
2 26 LEU 1184.162 27.102 6 10 [*****+***-]
2 27 LYS 1121.226 27.898 5 10 [****+****-]
2 28 LYS 26.649 2.041 7 10 [*-****+***]
2 29 LEU 435.926 27.400 6 10 [*-***+****]
2 30 VAL 1107.086 22.331 3 10 [**+***-***]
2 31 GLY 10.721 0.834 4 10 [***+*-****]
2 32 GLU 13.676 0.834 4 10 [***+*-****]
2 33 ARG 6.871 0.807 5 9 [***-+****1]
3 1 GLY 0.000 0.000 . 0 "[ . 1]"
3 2 CYS 0.000 0.000 . 0 "[ . 1]"
3 3 GLY 0.060 0.060 7 0 "[ . 1]"
3 4 LYS 0.177 0.105 3 0 "[ . 1]"
3 5 SER 0.104 0.073 7 0 "[ . 1]"
3 6 ILE 1005.231 28.631 8 10 [-******+**]
3 7 ASP 0.000 0.000 . 0 "[ . 1]"
3 8 ASP 0.000 0.000 . 0 "[ . 1]"
3 9 LEU 1019.693 26.442 7 10 [*****-+***]
3 10 GLU 227.141 26.533 7 10 [-*****+***]
3 11 ASP 1.491 0.222 4 0 "[ . 1]"
3 12 GLU 2.387 0.222 4 0 "[ . 1]"
3 13 LEU 1852.510 24.653 7 10 [-*****+***]
3 14 TYR 0.036 0.036 5 0 "[ . 1]"
3 15 ALA 0.000 0.000 . 0 "[ . 1]"
3 16 GLN 503.144 27.747 7 10 [-*****+***]
3 17 LYS 0.000 0.000 . 0 "[ . 1]"
3 18 LEU 0.036 0.036 5 0 "[ . 1]"
3 19 LYS 0.000 0.000 . 0 "[ . 1]"
3 20 TYR 188.293 20.059 5 10 [-***+*****]
3 21 LYS 0.058 0.058 4 0 "[ . 1]"
3 22 ALA 0.000 0.000 . 0 "[ . 1]"
3 23 ILE 1885.740 32.991 6 10 [*****+-***]
3 24 SER 235.409 25.576 9 10 [-*******+*]
3 25 GLU 0.103 0.058 4 0 "[ . 1]"
3 26 GLU 0.027 0.013 3 0 "[ . 1]"
3 27 LEU 1489.046 30.016 6 10 [***-*+****]
3 28 ASP 0.366 0.068 1 0 "[ . 1]"
3 29 HIS 0.294 0.068 1 0 "[ . 1]"
3 30 ALA 0.000 0.000 . 0 "[ . 1]"
3 31 LEU 1901.055 26.831 5 10 [-***+*****]
3 32 LYS 0.216 0.099 8 0 "[ . 1]"
3 33 ASP 0.000 0.000 . 0 "[ . 1]"
3 34 MET 818.861 23.987 5 10 [**-*+*****]
3 35 THR 709.242 28.669 8 10 [*****-*+**]
3 36 SER 0.637 0.220 5 0 "[ . 1]"
3 37 ILE 3049.722 30.899 9 10 [-*******+*]
4 2 MET 0.000 0.000 . 0 "[ . 1]"
4 3 ASP 0.000 0.000 . 0 "[ . 1]"
4 4 ALA 251.301 26.497 2 10 [-+********]
4 5 ILE 0.000 0.000 . 0 "[ . 1]"
4 6 LYS 0.000 0.000 . 0 "[ . 1]"
4 7 LYS 1542.234 26.533 7 10 [-*****+***]
4 8 LYS 426.189 25.174 4 10 [***+*-****]
4 9 MET 0.000 0.000 . 0 "[ . 1]"
4 10 GLN 330.855 18.165 7 10 [-*****+***]
4 11 MET 1134.443 28.631 8 10 [-******+**]
4 12 LEU 0.000 0.000 . 0 "[ . 1]"
4 13 LYS 0.000 0.000 . 0 "[ . 1]"
4 14 LEU 921.712 27.747 7 10 [-*****+***]
4 15 ASP 0.000 0.000 . 0 "[ . 1]"
4 16 ASN 0.098 0.030 6 0 "[ . 1]"
4 17 TYR 189.598 20.059 5 10 [-***+*****]
4 18 HIS 167.333 17.246 9 10 [******-*+*]
4 19 LEU 7.912 1.571 3 4 "[ + .* -*1]"
4 20 GLU 1.305 0.312 6 0 "[ . 1]"
4 21 ASN 1110.159 30.609 9 10 [-*******+*]
4 22 GLU 198.819 21.522 9 10 [*******-+*]
4 23 VAL 7.912 1.571 3 4 "[ + .* -*1]"
4 24 ALA 0.000 0.000 . 0 "[ . 1]"
4 25 ARG 2322.113 43.381 7 10 [******+**-]
4 26 LEU 0.000 0.000 . 0 "[ . 1]"
4 27 LYS 0.000 0.000 . 0 "[ . 1]"
4 28 LYS 853.008 46.268 7 10 [-*****+***]
4 29 LEU 1918.053 45.086 7 10 [-*****+***]
4 32 GLU 925.348 53.834 5 10 [-***+*****]
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 7 ASP HA 1 8 ASP QB 6.200 . 6.820 5.378 5.200 5.487 . 0 0 "[ . 1]" 1
2 1 7 ASP HA 1 9 LEU H 6.000 . 6.600 4.290 3.856 4.664 . 0 0 "[ . 1]" 1
3 1 8 ASP HA 1 9 LEU H 5.000 . 5.500 3.489 3.409 3.546 . 0 0 "[ . 1]" 1
4 1 8 ASP HA 3 31 LEU QD 7.400 . 8.140 23.417 21.987 24.388 16.248 2 10 [-+********] 1
5 1 8 ASP HA 4 29 LEU QD 7.400 . 8.140 51.129 47.393 53.226 45.086 7 10 [-*****+***] 1
6 1 8 ASP QB 1 9 LEU H 4.500 . 4.950 2.815 2.215 3.669 . 0 0 "[ . 1]" 1
7 1 8 ASP QB 1 10 GLU H 5.000 . 5.500 5.018 4.740 5.382 . 0 0 "[ . 1]" 1
8 1 8 ASP QB 1 10 GLU QB 7.000 . 7.700 6.221 5.843 6.880 . 0 0 "[ . 1]" 1
9 1 8 ASP QB 1 11 ASP H 5.000 . 5.500 4.975 4.696 5.292 . 0 0 "[ . 1]" 1
10 1 8 ASP QB 1 12 GLU H 5.000 . 5.500 4.658 4.222 5.412 . 0 0 "[ . 1]" 1
11 1 8 ASP QB 2 2 MET QB 7.000 . 7.700 24.612 23.401 25.396 17.696 5 10 [*-**+*****] 1
12 1 8 ASP QB 2 2 MET ME 7.000 . 7.700 21.274 20.305 22.237 14.537 5 10 [**-*+*****] 1
13 1 8 ASP QB 3 27 LEU QB 6.000 . 6.600 20.707 19.482 22.072 15.472 8 10 [-******+**] 1
14 1 8 ASP QB 3 27 LEU QD 8.400 . 9.240 16.646 16.179 17.709 8.469 7 10 [***-**+***] 1
15 1 8 ASP QB 3 31 LEU QD 7.400 . 8.140 20.928 19.735 22.130 13.990 7 10 [-*****+***] 1
16 1 8 ASP QB 3 31 LEU HG 6.000 . 6.600 27.602 25.914 29.276 22.676 7 10 [-*****+***] 1
17 1 8 ASP QB 4 25 ARG QD 8.400 . 9.240 49.447 45.271 52.621 43.381 7 10 [-*****+***] 1
18 1 8 ASP QB 4 28 LYS QB 7.000 . 7.700 52.190 49.479 53.968 46.268 7 10 [-*****+***] 1
19 1 8 ASP QB 4 29 LEU QD 8.400 . 9.240 45.769 42.703 48.055 38.815 7 10 [-*****+***] 1
20 1 9 LEU H 1 10 GLU H 4.000 . 4.400 2.758 2.516 3.011 . 0 0 "[ . 1]" 1
21 1 9 LEU HA 1 10 GLU H 4.000 . 4.400 3.567 3.542 3.580 . 0 0 "[ . 1]" 1
22 1 9 LEU HA 1 12 GLU H 4.000 . 4.400 3.643 3.220 4.091 . 0 0 "[ . 1]" 1
23 1 9 LEU HA 1 12 GLU QB 6.000 . 6.600 2.856 1.910 4.002 . 0 0 "[ . 1]" 1
24 1 9 LEU HA 1 12 GLU QG 6.000 . 6.600 4.043 2.076 4.940 . 0 0 "[ . 1]" 1
25 1 9 LEU HA 1 13 LEU H 5.000 . 5.500 3.911 3.463 4.160 . 0 0 "[ . 1]" 1
26 1 9 LEU HA 1 13 LEU QB 6.000 . 6.600 4.472 4.033 5.022 . 0 0 "[ . 1]" 1
27 1 9 LEU QB 1 10 GLU H 5.600 . 6.160 2.466 2.270 2.689 . 0 0 "[ . 1]" 1
28 1 9 LEU QB 1 10 GLU HA 5.600 . 6.160 3.855 3.605 4.213 . 0 0 "[ . 1]" 1
29 1 9 LEU QB 1 10 GLU QB 6.600 . 7.260 4.056 3.617 4.588 . 0 0 "[ . 1]" 1
30 1 9 LEU QB 1 12 GLU QB 7.000 . 7.700 4.669 3.711 5.574 . 0 0 "[ . 1]" 1
31 1 9 LEU QB 1 12 GLU QG 7.000 . 7.700 5.559 3.825 6.562 . 0 0 "[ . 1]" 1
32 1 9 LEU QB 1 13 LEU H 6.000 . 6.600 4.792 4.159 5.222 . 0 0 "[ . 1]" 1
33 1 9 LEU QB 1 13 LEU QB 7.000 . 7.700 4.267 3.690 4.862 . 0 0 "[ . 1]" 1
34 1 10 GLU H 1 11 ASP H 5.000 . 5.500 2.657 2.541 2.834 . 0 0 "[ . 1]" 1
35 1 10 GLU H 1 13 LEU H 5.000 . 5.500 4.557 4.442 4.652 . 0 0 "[ . 1]" 1
36 1 10 GLU H 3 31 LEU HG 5.000 . 5.500 31.486 30.140 32.331 26.831 5 10 [**-*+*****] 1
37 1 10 GLU HA 1 11 ASP H 5.000 . 5.500 3.526 3.506 3.554 . 0 0 "[ . 1]" 1
38 1 10 GLU HA 1 13 LEU H 5.000 . 5.500 3.384 3.111 3.620 . 0 0 "[ . 1]" 1
39 1 10 GLU HA 1 13 LEU HB2 5.000 . 5.500 3.013 2.411 3.575 . 0 0 "[ . 1]" 1
40 1 10 GLU HA 1 13 LEU HB3 5.000 . 5.500 2.581 2.243 3.016 . 0 0 "[ . 1]" 1
41 1 10 GLU HA 1 14 TYR H 5.000 . 5.500 4.086 3.885 4.279 . 0 0 "[ . 1]" 1
42 1 10 GLU QB 1 11 ASP H 5.000 . 5.500 2.705 2.425 3.471 . 0 0 "[ . 1]" 1
43 1 10 GLU QB 1 11 ASP HA 6.000 . 6.600 4.072 3.816 4.542 . 0 0 "[ . 1]" 1
44 1 10 GLU QB 3 31 LEU H 6.000 . 6.600 28.648 27.672 29.469 22.869 7 10 [-*****+***] 1
45 1 10 GLU QB 3 31 LEU HA 6.000 . 6.600 30.753 29.856 31.649 25.049 7 10 [-*****+***] 1
46 1 10 GLU QB 3 31 LEU QD 8.400 . 9.240 21.593 20.906 22.339 13.099 7 10 [-*****+***] 1
47 1 10 GLU QB 4 29 LEU QD 8.400 . 9.240 46.272 44.015 47.523 38.283 7 10 [-*****+***] 1
48 1 11 ASP H 1 12 GLU H 4.000 . 4.400 2.777 2.636 2.883 . 0 0 "[ . 1]" 1
49 1 11 ASP H 1 12 GLU QB 5.600 . 6.160 4.450 4.193 4.893 . 0 0 "[ . 1]" 1
50 1 11 ASP H 1 14 TYR QB 6.000 . 6.600 5.419 5.071 5.735 . 0 0 "[ . 1]" 1
51 1 11 ASP H 3 31 LEU QD 7.400 . 8.140 22.988 22.051 23.718 15.578 7 10 [-*****+***] 1
52 1 11 ASP HA 1 12 GLU H 4.000 . 4.400 3.528 3.507 3.564 . 0 0 "[ . 1]" 1
53 1 11 ASP HA 1 13 LEU H 5.000 . 5.500 4.472 4.310 4.658 . 0 0 "[ . 1]" 1
54 1 11 ASP HA 1 14 TYR H 5.000 . 5.500 3.929 3.820 4.047 . 0 0 "[ . 1]" 1
55 1 11 ASP HA 1 14 TYR QB 5.000 . 5.500 3.450 3.064 3.890 . 0 0 "[ . 1]" 1
56 1 11 ASP HA 1 14 TYR QD 6.000 . 6.600 4.307 2.822 5.606 . 0 0 "[ . 1]" 1
57 1 11 ASP HA 2 5 ILE QG 6.000 . 6.600 30.320 28.751 31.593 24.993 9 10 [-*******+*] 1
58 1 11 ASP HA 3 37 ILE MG 6.000 . 6.600 30.688 29.341 32.033 25.433 9 10 [*****-**+*] 1
59 1 12 GLU H 1 13 LEU H 4.000 . 4.400 2.669 2.490 2.842 . 0 0 "[ . 1]" 1
60 1 12 GLU HA 1 15 ALA H 4.000 . 4.400 3.317 2.974 3.627 . 0 0 "[ . 1]" 1
61 1 12 GLU HA 4 32 GLU QB 6.000 . 6.600 58.676 55.964 60.434 53.834 5 10 [-***+*****] 1
62 1 12 GLU QB 1 13 LEU H 4.600 . 5.060 2.774 2.429 3.600 . 0 0 "[ . 1]" 1
63 1 12 GLU QB 1 13 LEU HA 5.600 . 6.160 4.320 4.114 4.668 . 0 0 "[ . 1]" 1
64 1 12 GLU QB 1 14 TYR H 6.000 . 6.600 5.051 4.826 5.284 . 0 0 "[ . 1]" 1
65 1 12 GLU QB 4 28 LYS QB 7.000 . 7.700 48.510 46.335 49.571 41.871 4 10 [-**+******] 1
66 1 12 GLU QG 1 13 LEU H 6.000 . 6.600 3.411 2.389 4.250 . 0 0 "[ . 1]" 1
67 1 12 GLU QG 4 29 LEU QD 7.400 . 8.140 41.749 39.369 44.040 35.900 7 10 [-*****+***] 1
68 1 13 LEU H 1 13 LEU HB2 4.000 . 4.400 2.478 2.177 2.634 . 0 0 "[ . 1]" 1
69 1 13 LEU H 1 13 LEU HB3 4.000 . 4.400 2.583 2.464 2.867 . 0 0 "[ . 1]" 1
70 1 13 LEU H 1 16 GLN H 5.000 . 5.500 4.664 4.566 4.736 . 0 0 "[ . 1]" 1
71 1 13 LEU HA 1 14 TYR H 5.000 . 5.500 3.560 3.542 3.575 . 0 0 "[ . 1]" 1
72 1 13 LEU HA 1 16 GLN H 5.000 . 5.500 3.760 3.543 3.973 . 0 0 "[ . 1]" 1
73 1 13 LEU HA 1 16 GLN HB2 5.000 . 5.500 3.321 2.801 4.685 . 0 0 "[ . 1]" 1
74 1 13 LEU HA 1 16 GLN HB3 5.000 . 5.500 4.760 4.135 5.102 . 0 0 "[ . 1]" 1
75 1 13 LEU HA 1 16 GLN QG 6.000 . 6.600 3.545 1.830 4.414 . 0 0 "[ . 1]" 1
76 1 13 LEU HB2 1 14 TYR H 5.000 . 5.500 3.733 3.416 3.808 . 0 0 "[ . 1]" 1
77 1 13 LEU HB3 1 14 TYR H 5.000 . 5.500 2.380 2.213 2.462 . 0 0 "[ . 1]" 1
78 1 13 LEU HG 1 16 GLN QB 7.000 . 7.700 5.235 4.663 5.977 . 0 0 "[ . 1]" 1
79 1 13 LEU HG 1 16 GLN QE 7.000 . 7.700 7.951 3.872 9.294 1.594 10 6 "[* -** * +]" 1
80 1 14 TYR H 1 14 TYR HB2 4.000 . 4.400 2.450 2.271 2.613 . 0 0 "[ . 1]" 1
81 1 14 TYR H 1 14 TYR HB3 4.000 . 4.400 3.051 2.437 3.613 . 0 0 "[ . 1]" 1
82 1 14 TYR H 1 15 ALA H 4.000 . 4.400 2.647 2.537 2.763 . 0 0 "[ . 1]" 1
83 1 14 TYR H 1 16 GLN H 5.000 . 5.500 4.338 4.254 4.481 . 0 0 "[ . 1]" 1
84 1 14 TYR HA 1 14 TYR QE 6.000 . 6.600 4.582 4.366 4.739 . 0 0 "[ . 1]" 1
85 1 14 TYR HA 1 15 ALA H 4.000 . 4.400 3.532 3.502 3.546 . 0 0 "[ . 1]" 1
86 1 14 TYR HA 1 16 GLN H 5.000 . 5.500 4.670 4.511 4.932 . 0 0 "[ . 1]" 1
87 1 14 TYR HA 1 16 GLN QB 6.000 . 6.600 5.513 5.145 6.370 . 0 0 "[ . 1]" 1
88 1 14 TYR HA 1 17 LYS H 4.000 . 4.400 3.692 3.354 3.983 . 0 0 "[ . 1]" 1
89 1 14 TYR HA 1 17 LYS QB 6.000 . 6.600 3.241 2.253 4.650 . 0 0 "[ . 1]" 1
90 1 14 TYR HA 1 17 LYS QG 6.000 . 6.600 3.487 1.884 4.873 . 0 0 "[ . 1]" 1
91 1 14 TYR QB 1 15 ALA H 4.600 . 5.060 2.584 2.387 2.767 . 0 0 "[ . 1]" 1
92 1 14 TYR QB 3 34 MET ME 7.000 . 7.700 24.465 23.654 25.524 17.824 9 10 [**-*****+*] 1
93 1 14 TYR QD 1 15 ALA H 6.000 . 6.600 3.908 3.246 4.458 . 0 0 "[ . 1]" 1
94 1 14 TYR QD 3 34 MET ME 7.000 . 7.700 24.650 23.265 26.343 18.643 9 10 [**-*****+*] 1
95 1 14 TYR QD 3 35 THR HA 6.000 . 6.600 31.700 29.717 33.443 26.843 8 10 [-******+**] 1
96 1 14 TYR QD 3 35 THR MG 7.000 . 7.700 27.324 25.528 28.429 20.729 5 10 [****+-****] 1
97 1 14 TYR QD 3 37 ILE MD 7.000 . 7.700 25.606 24.523 26.966 19.266 9 10 [*****-**+*] 1
98 1 14 TYR QD 3 37 ILE MG 7.000 . 7.700 26.046 24.569 27.449 19.749 9 10 [*****-**+*] 1
99 1 14 TYR QE 3 34 MET QB 6.000 . 6.600 28.866 26.797 30.587 23.987 5 10 [*-**+*****] 1
100 1 14 TYR QE 3 34 MET ME 7.000 . 7.700 25.331 23.285 27.723 20.023 9 10 [**-*****+*] 1
101 1 14 TYR QE 3 35 THR HA 6.000 . 6.600 32.680 30.742 35.269 28.669 8 10 [*****-*+**] 1
102 1 14 TYR QE 3 37 ILE HA 6.000 . 6.600 34.942 32.665 37.499 30.899 9 10 [*****-**+*] 1
103 1 14 TYR QE 3 37 ILE MD 7.000 . 7.700 26.191 24.412 28.333 20.633 9 10 [*****-**+*] 1
104 1 14 TYR QE 3 37 ILE QG 7.000 . 7.700 29.557 27.599 32.071 24.371 9 10 [*****-**+*] 1
105 1 14 TYR QE 3 37 ILE MG 7.000 . 7.700 26.723 24.593 28.900 21.200 9 10 [*****-**+*] 1
106 1 15 ALA H 1 16 GLN H 4.000 . 4.400 2.783 2.696 2.838 . 0 0 "[ . 1]" 1
107 1 15 ALA H 1 18 LEU QB 5.000 . 5.500 4.926 4.631 5.880 0.380 10 0 "[ . 1]" 1
108 1 15 ALA H 1 18 LEU QD 7.400 . 8.140 5.142 3.958 6.101 . 0 0 "[ . 1]" 1
109 1 15 ALA H 3 37 ILE QG 6.000 . 6.600 30.581 27.926 31.855 25.255 9 10 [-*******+*] 1
110 1 15 ALA HA 1 16 GLN H 5.000 . 5.500 3.566 3.552 3.581 . 0 0 "[ . 1]" 1
111 1 15 ALA HA 1 17 LYS H 5.000 . 5.500 4.587 4.234 4.944 . 0 0 "[ . 1]" 1
112 1 15 ALA HA 1 18 LEU H 5.000 . 5.500 3.720 3.513 3.933 . 0 0 "[ . 1]" 1
113 1 15 ALA HA 1 18 LEU QB 6.000 . 6.600 3.043 2.669 4.204 . 0 0 "[ . 1]" 1
114 1 15 ALA HA 1 18 LEU HG 5.000 . 5.500 4.551 2.247 5.518 0.018 9 0 "[ . 1]" 1
115 1 15 ALA HA 1 19 LYS H 5.000 . 5.500 4.099 3.786 4.372 . 0 0 "[ . 1]" 1
116 1 15 ALA HA 2 12 LEU QD 7.400 . 8.140 25.982 24.726 26.917 18.777 9 10 [-*******+*] 1
117 1 15 ALA HA 3 37 ILE QG 6.000 . 6.600 28.840 26.169 30.250 23.650 9 10 [-*******+*] 1
118 1 15 ALA MB 1 16 GLN H 5.600 . 6.160 2.381 2.256 2.566 . 0 0 "[ . 1]" 1
119 1 15 ALA MB 3 37 ILE MD 7.000 . 7.700 21.564 19.746 22.753 15.053 8 10 [-******+**] 1
120 1 15 ALA MB 4 32 GLU QG 7.000 . 7.700 48.159 45.418 49.557 41.857 7 10 [-*****+***] 1
121 1 16 GLN H 1 16 GLN HB2 4.000 . 4.400 2.587 2.345 3.625 . 0 0 "[ . 1]" 1
122 1 16 GLN H 1 16 GLN HB3 4.000 . 4.400 3.501 2.595 3.624 . 0 0 "[ . 1]" 1
123 1 16 GLN H 1 17 LYS QB 5.600 . 6.160 4.690 4.335 5.315 . 0 0 "[ . 1]" 1
124 1 16 GLN HA 1 17 LYS H 5.000 . 5.500 3.544 3.483 3.588 . 0 0 "[ . 1]" 1
125 1 16 GLN HA 1 18 LEU H 5.000 . 5.500 4.393 4.237 4.571 . 0 0 "[ . 1]" 1
126 1 16 GLN HA 1 19 LYS H 5.000 . 5.500 3.455 3.230 3.808 . 0 0 "[ . 1]" 1
127 1 16 GLN QB 1 17 LYS H 4.600 . 5.060 2.693 2.241 3.537 . 0 0 "[ . 1]" 1
128 1 16 GLN QB 1 17 LYS HA 5.600 . 6.160 3.914 3.625 4.355 . 0 0 "[ . 1]" 1
129 1 16 GLN QB 1 18 LEU H 5.000 . 5.500 4.743 4.402 5.089 . 0 0 "[ . 1]" 1
130 1 16 GLN QE 1 20 TYR QD 7.400 . 8.140 7.271 6.121 8.381 0.241 8 0 "[ . 1]" 1
131 1 16 GLN QG 1 17 LYS H 5.000 . 5.500 3.929 2.265 4.416 . 0 0 "[ . 1]" 1
132 1 16 GLN QG 1 19 LYS QB 6.000 . 6.600 5.437 4.327 6.505 . 0 0 "[ . 1]" 1
133 1 16 GLN QG 1 20 TYR H 5.000 . 5.500 6.029 5.045 6.442 0.942 6 8 "[***-*+** 1]" 1
134 1 16 GLN QG 1 20 TYR QB 7.000 . 7.700 5.625 4.195 6.147 . 0 0 "[ . 1]" 1
135 1 16 GLN QG 1 20 TYR QD 7.400 . 8.140 6.977 5.682 7.712 . 0 0 "[ . 1]" 1
136 1 17 LYS H 1 17 LYS HG2 5.000 . 5.500 3.515 1.966 4.598 . 0 0 "[ . 1]" 1
137 1 17 LYS H 1 17 LYS HG3 5.000 . 5.500 3.805 2.846 4.508 . 0 0 "[ . 1]" 1
138 1 17 LYS H 1 18 LEU H 3.000 . 3.300 2.641 2.573 2.718 . 0 0 "[ . 1]" 1
139 1 17 LYS HA 1 20 TYR H 5.000 . 5.500 3.464 3.232 3.763 . 0 0 "[ . 1]" 1
140 1 17 LYS QB 1 18 LEU H 4.600 . 5.060 2.930 2.406 3.564 . 0 0 "[ . 1]" 1
141 1 17 LYS QG 1 20 TYR QD 8.400 . 9.240 5.174 3.846 6.292 . 0 0 "[ . 1]" 1
142 1 17 LYS QG 1 21 LYS H 6.000 . 6.600 4.915 4.259 5.613 . 0 0 "[ . 1]" 1
143 1 18 LEU H 1 18 LEU HG 5.000 . 5.500 4.131 2.136 4.542 . 0 0 "[ . 1]" 1
144 1 18 LEU H 1 19 LYS H 4.000 . 4.400 2.642 2.495 2.738 . 0 0 "[ . 1]" 1
145 1 18 LEU H 1 20 TYR H 4.000 . 4.400 3.958 3.748 4.124 . 0 0 "[ . 1]" 1
146 1 18 LEU H 1 20 TYR QB 6.000 . 6.600 4.719 4.503 4.959 . 0 0 "[ . 1]" 1
147 1 18 LEU HA 1 19 LYS H 4.000 . 4.400 3.552 3.497 3.579 . 0 0 "[ . 1]" 1
148 1 18 LEU HA 1 20 TYR H 5.000 . 5.500 4.339 3.993 4.492 . 0 0 "[ . 1]" 1
149 1 18 LEU HA 1 21 LYS H 5.000 . 5.500 3.532 3.243 3.732 . 0 0 "[ . 1]" 1
150 1 18 LEU HA 1 21 LYS QB 5.000 . 5.500 2.888 2.452 3.286 . 0 0 "[ . 1]" 1
151 1 18 LEU HA 2 12 LEU QD 7.400 . 8.140 23.500 22.841 24.007 15.867 6 10 [-****+****] 1
152 1 18 LEU QB 1 19 LYS H 5.000 . 5.500 2.651 2.356 3.561 . 0 0 "[ . 1]" 1
153 1 18 LEU QB 2 12 LEU QD 7.400 . 8.140 21.825 20.609 22.520 14.380 9 10 [-*******+*] 1
154 1 18 LEU QB 3 37 ILE HA 6.000 . 6.600 29.188 27.567 30.110 23.510 9 10 [-*******+*] 1
155 1 18 LEU QB 3 37 ILE MD 7.000 . 7.700 21.388 19.665 22.154 14.454 9 10 [-*******+*] 1
156 1 18 LEU QB 3 37 ILE QG 7.000 . 7.700 24.401 22.048 25.403 17.703 9 10 [-*******+*] 1
157 1 18 LEU QD 1 19 LYS H 7.400 . 8.140 3.699 2.521 3.998 . 0 0 "[ . 1]" 1
158 1 18 LEU QD 1 22 ALA MB 8.400 . 9.240 3.560 2.453 4.347 . 0 0 "[ . 1]" 1
159 1 18 LEU QD 2 9 MET HA 7.400 . 8.140 23.110 21.964 24.052 15.912 6 10 [*-***+****] 1
160 1 18 LEU QD 2 12 LEU HA 7.400 . 8.140 25.891 24.570 27.020 18.880 6 10 [*-***+****] 1
161 1 18 LEU QD 2 12 LEU QB 7.400 . 8.140 21.686 20.621 22.603 14.463 6 10 [*-***+****] 1
162 1 18 LEU QD 2 12 LEU HG 6.000 . 6.600 25.597 24.668 26.584 19.984 6 10 [*-***+****] 1
163 1 18 LEU QD 2 13 LYS HA 7.400 . 8.140 27.378 26.419 28.342 20.202 6 10 [*-***+****] 1
164 1 18 LEU QD 2 13 LYS QB 8.400 . 9.240 24.103 23.368 24.953 15.713 6 10 [*-***+****] 1
165 1 18 LEU QD 2 13 LYS QD 8.400 . 9.240 23.587 22.125 24.360 15.120 10 10 [*-*******+] 1
166 1 18 LEU QD 2 13 LYS QG 8.400 . 9.240 23.413 22.216 24.694 15.454 5 10 [*-**+*****] 1
167 1 18 LEU QD 2 16 ASN QB 8.400 . 9.240 25.819 24.977 26.857 17.617 6 10 [*-***+****] 1
168 1 18 LEU QD 2 16 ASN QD 7.400 . 8.140 24.863 23.865 26.246 18.106 6 10 [*-***+****] 1
169 1 18 LEU QD 3 34 MET ME 8.400 . 9.240 17.510 16.241 18.350 9.110 9 10 [**-*****+*] 1
170 1 18 LEU QD 3 37 ILE H 7.400 . 8.140 24.063 22.936 24.936 16.796 6 10 [-****+****] 1
171 1 18 LEU QD 3 37 ILE HB . . 6.600 23.192 22.521 23.777 17.177 6 10 [*-***+****] 1
172 1 18 LEU QD 3 37 ILE QG 8.400 . 9.240 20.549 19.560 21.260 12.020 8 10 [-******+**] 1
173 1 18 LEU HG 1 22 ALA MB 6.000 . 6.600 5.047 3.258 6.420 . 0 0 "[ . 1]" 1
174 1 18 LEU HG 2 12 LEU QD 6.000 . 6.600 24.718 22.750 26.060 19.460 7 10 [***-**+***] 1
175 1 19 LYS H 1 19 LYS HG2 5.000 . 5.500 2.917 1.999 3.756 . 0 0 "[ . 1]" 1
176 1 19 LYS H 1 19 LYS HG3 5.000 . 5.500 2.874 2.098 3.891 . 0 0 "[ . 1]" 1
177 1 19 LYS H 1 20 TYR H 4.000 . 4.400 2.587 2.377 2.747 . 0 0 "[ . 1]" 1
178 1 19 LYS H 1 20 TYR HA 5.000 . 5.500 5.204 5.044 5.339 . 0 0 "[ . 1]" 1
179 1 19 LYS H 1 20 TYR QB 5.600 . 6.160 4.348 4.135 4.485 . 0 0 "[ . 1]" 1
180 1 19 LYS HA 1 19 LYS QE 6.000 . 6.600 4.228 3.897 4.702 . 0 0 "[ . 1]" 1
181 1 19 LYS HA 1 20 TYR H 4.000 . 4.400 3.507 3.449 3.543 . 0 0 "[ . 1]" 1
182 1 19 LYS HA 1 22 ALA H 4.000 . 4.400 3.097 2.774 3.438 . 0 0 "[ . 1]" 1
183 1 19 LYS HA 1 22 ALA MB 5.000 . 5.500 2.141 1.810 2.433 . 0 0 "[ . 1]" 1
184 1 19 LYS HA 1 23 ILE H 4.000 . 4.400 3.728 3.500 3.874 . 0 0 "[ . 1]" 1
185 1 19 LYS HA 1 23 ILE HB 6.000 . 6.600 4.952 4.216 5.653 . 0 0 "[ . 1]" 1
186 1 19 LYS HA 2 12 LEU QD 7.400 . 8.140 21.422 20.121 22.022 13.882 9 10 [-*******+*] 1
187 1 19 LYS QB 1 22 ALA MB 7.000 . 7.700 3.564 3.050 4.094 . 0 0 "[ . 1]" 1
188 1 19 LYS QB 2 12 LEU QD 8.400 . 9.240 19.474 18.232 20.089 10.849 7 10 [-*****+***] 1
189 1 19 LYS QD 1 20 TYR H 6.000 . 6.600 4.431 2.708 4.894 . 0 0 "[ . 1]" 1
190 1 19 LYS QD 1 23 ILE MD 8.200 . 9.020 6.105 4.750 7.987 . 0 0 "[ . 1]" 1
191 1 19 LYS QD 2 12 LEU QD 8.400 . 9.240 20.086 18.675 21.311 12.071 7 10 [-*****+***] 1
192 1 19 LYS QE 1 20 TYR QD 8.400 . 9.240 7.296 4.876 8.810 . 0 0 "[ . 1]" 1
193 1 19 LYS QG 1 20 TYR H 6.000 . 6.600 3.365 2.353 4.366 . 0 0 "[ . 1]" 1
194 1 19 LYS QG 1 22 ALA MB 7.000 . 7.700 4.193 3.559 4.645 . 0 0 "[ . 1]" 1
195 1 19 LYS QG 1 23 ILE H 6.000 . 6.600 5.309 4.760 5.843 . 0 0 "[ . 1]" 1
196 1 19 LYS QG 2 12 LEU QD 8.400 . 9.240 20.102 18.757 20.782 11.542 8 10 [-******+**] 1
197 1 19 LYS HG2 1 20 TYR H 5.000 . 5.500 4.087 2.633 5.088 . 0 0 "[ . 1]" 1
198 1 19 LYS HG3 1 20 TYR H 5.000 . 5.500 3.646 2.529 5.107 . 0 0 "[ . 1]" 1
199 1 20 TYR H 1 21 LYS H 4.000 . 4.400 2.678 2.584 2.822 . 0 0 "[ . 1]" 1
200 1 20 TYR H 1 21 LYS HA 5.000 . 5.500 5.287 5.216 5.391 . 0 0 "[ . 1]" 1
201 1 20 TYR H 1 21 LYS HB2 5.000 . 5.500 5.160 5.003 5.336 . 0 0 "[ . 1]" 1
202 1 20 TYR H 1 21 LYS QB 5.600 . 6.160 4.422 4.320 4.612 . 0 0 "[ . 1]" 1
203 1 20 TYR H 1 21 LYS HB3 5.000 . 5.500 4.821 4.608 5.163 . 0 0 "[ . 1]" 1
204 1 20 TYR H 1 22 ALA H . . 4.400 3.942 3.771 4.113 . 0 0 "[ . 1]" 1
205 1 20 TYR H 1 22 ALA MB 6.000 . 6.600 4.565 4.334 4.763 . 0 0 "[ . 1]" 1
206 1 20 TYR HA 1 21 LYS H 5.000 . 5.500 3.544 3.527 3.564 . 0 0 "[ . 1]" 1
207 1 20 TYR HA 1 22 ALA H 5.000 . 5.500 4.445 4.274 4.602 . 0 0 "[ . 1]" 1
208 1 20 TYR HA 1 22 ALA MB 6.000 . 6.600 4.920 4.700 5.214 . 0 0 "[ . 1]" 1
209 1 20 TYR HA 1 23 ILE H 4.000 . 4.400 3.592 3.405 3.874 . 0 0 "[ . 1]" 1
210 1 20 TYR HA 1 23 ILE HB 6.000 . 6.600 4.125 3.568 4.721 . 0 0 "[ . 1]" 1
211 1 20 TYR HA 1 23 ILE MD 7.200 . 7.920 4.552 4.259 5.122 . 0 0 "[ . 1]" 1
212 1 20 TYR HA 1 24 SER H 5.000 . 5.500 4.074 3.908 4.210 . 0 0 "[ . 1]" 1
213 1 20 TYR QB 1 21 LYS H 5.600 . 6.160 2.496 2.432 2.587 . 0 0 "[ . 1]" 1
214 1 20 TYR QB 1 21 LYS HA 5.600 . 6.160 4.213 4.111 4.340 . 0 0 "[ . 1]" 1
215 1 20 TYR QB 1 22 ALA H 6.000 . 6.600 4.652 4.555 4.784 . 0 0 "[ . 1]" 1
216 1 20 TYR QD 1 21 LYS H 7.400 . 8.140 3.587 3.220 3.983 . 0 0 "[ . 1]" 1
217 1 20 TYR QD 1 21 LYS HA 7.400 . 8.140 3.790 3.408 4.250 . 0 0 "[ . 1]" 1
218 1 20 TYR QD 1 23 ILE H 7.400 . 8.140 5.605 5.429 5.891 . 0 0 "[ . 1]" 1
219 1 20 TYR QD 1 23 ILE HB 8.400 . 9.240 5.862 5.266 6.627 . 0 0 "[ . 1]" 1
220 1 21 LYS H 1 22 ALA HA 4.000 . 4.400 5.212 5.147 5.346 0.946 10 10 [**-******+] 1
221 1 21 LYS H 1 22 ALA MB 5.600 . 6.160 4.266 4.187 4.419 . 0 0 "[ . 1]" 1
222 1 21 LYS H 1 23 ILE H 5.000 . 5.500 4.270 4.068 4.421 . 0 0 "[ . 1]" 1
223 1 21 LYS HA 1 22 ALA H 5.000 . 5.500 3.529 3.515 3.557 . 0 0 "[ . 1]" 1
224 1 21 LYS HA 1 24 SER H 5.000 . 5.500 3.586 3.422 3.909 . 0 0 "[ . 1]" 1
225 1 21 LYS HB2 1 22 ALA H 5.000 . 5.500 3.869 3.766 3.958 . 0 0 "[ . 1]" 1
226 1 21 LYS HB3 1 22 ALA H 5.000 . 5.500 2.590 2.445 2.693 . 0 0 "[ . 1]" 1
227 1 22 ALA H 1 23 ILE H . . 4.400 2.793 2.607 2.901 . 0 0 "[ . 1]" 1
228 1 22 ALA H 1 23 ILE HA 4.000 . 4.400 5.358 5.216 5.429 1.029 8 10 [-******+**] 1
229 1 22 ALA H 1 23 ILE HB 5.600 . 6.160 5.254 4.765 5.533 . 0 0 "[ . 1]" 1
230 1 22 ALA H 1 24 SER H 4.000 . 4.400 4.161 4.009 4.408 0.008 4 0 "[ . 1]" 1
231 1 22 ALA HA 1 23 ILE H 4.000 . 4.400 3.567 3.527 3.588 . 0 0 "[ . 1]" 1
232 1 22 ALA HA 1 24 SER H 5.000 . 5.500 4.521 4.404 4.766 . 0 0 "[ . 1]" 1
233 1 22 ALA HA 1 25 GLU H 5.000 . 5.500 3.646 3.457 3.895 . 0 0 "[ . 1]" 1
234 1 22 ALA HA 1 26 GLU H 5.000 . 5.500 4.076 3.931 4.326 . 0 0 "[ . 1]" 1
235 1 22 ALA HA 2 23 VAL QG 7.400 . 8.140 30.827 29.768 31.501 23.361 6 10 [-****+****] 1
236 1 22 ALA MB 1 23 ILE H 5.000 . 5.500 2.492 2.313 2.705 . 0 0 "[ . 1]" 1
237 1 22 ALA MB 1 23 ILE HA 5.600 . 6.160 3.813 3.730 3.868 . 0 0 "[ . 1]" 1
238 1 22 ALA MB 1 23 ILE HB 6.200 . 6.820 3.971 3.784 4.095 . 0 0 "[ . 1]" 1
239 1 22 ALA MB 1 23 ILE MD 7.800 . 8.580 5.476 5.348 5.578 . 0 0 "[ . 1]" 1
240 1 22 ALA MB 1 24 SER H 5.000 . 5.500 4.498 4.390 4.598 . 0 0 "[ . 1]" 1
241 1 22 ALA MB 2 12 LEU QD 8.400 . 9.240 16.828 16.003 17.206 7.966 7 10 [-*****+***] 1
242 1 22 ALA MB 2 16 ASN QD 7.000 . 7.700 23.556 22.263 24.253 16.553 6 10 [-****+****] 1
243 1 23 ILE H 1 24 SER H . . 3.300 2.606 2.502 2.707 . 0 0 "[ . 1]" 1
244 1 23 ILE H 1 24 SER HA 5.000 . 5.500 5.219 5.141 5.299 . 0 0 "[ . 1]" 1
245 1 23 ILE H 1 25 GLU H 5.000 . 5.500 4.154 3.955 4.309 . 0 0 "[ . 1]" 1
246 1 23 ILE HA 1 24 SER H 5.000 . 5.500 3.537 3.505 3.562 . 0 0 "[ . 1]" 1
247 1 23 ILE HA 1 25 GLU H 5.000 . 5.500 4.469 4.239 4.617 . 0 0 "[ . 1]" 1
248 1 23 ILE HA 1 26 GLU H 5.000 . 5.500 3.235 2.990 3.412 . 0 0 "[ . 1]" 1
249 1 23 ILE HA 1 26 GLU HB2 5.000 . 5.500 2.959 2.433 3.467 . 0 0 "[ . 1]" 1
250 1 23 ILE HA 1 26 GLU HB3 5.000 . 5.500 2.406 1.972 2.779 . 0 0 "[ . 1]" 1
251 1 23 ILE HA 1 26 GLU QG 6.000 . 6.600 3.785 3.233 4.414 . 0 0 "[ . 1]" 1
252 1 23 ILE HA 1 27 LEU H . . 4.400 3.942 3.714 4.121 . 0 0 "[ . 1]" 1
253 1 23 ILE HB 1 24 SER H 5.600 . 6.160 3.954 3.794 4.074 . 0 0 "[ . 1]" 1
254 1 23 ILE HB 1 24 SER HA 5.600 . 6.160 5.649 5.592 5.703 . 0 0 "[ . 1]" 1
255 1 23 ILE MD 1 24 SER H 7.200 . 7.920 4.408 3.880 4.694 . 0 0 "[ . 1]" 1
256 1 24 SER H 1 24 SER HB2 4.000 . 4.400 2.616 2.434 3.602 . 0 0 "[ . 1]" 1
257 1 24 SER H 1 24 SER HB3 4.000 . 4.400 2.891 2.434 3.614 . 0 0 "[ . 1]" 1
258 1 24 SER H 1 25 GLU H 4.000 . 4.400 2.656 2.539 2.760 . 0 0 "[ . 1]" 1
259 1 24 SER H 1 25 GLU HA 4.000 . 4.400 5.270 5.187 5.358 0.958 3 10 [**+-******] 1
260 1 24 SER HA 1 25 GLU H 5.000 . 5.500 3.543 3.495 3.567 . 0 0 "[ . 1]" 1
261 1 24 SER HA 1 26 GLU H 5.000 . 5.500 4.300 4.080 4.457 . 0 0 "[ . 1]" 1
262 1 24 SER HA 1 27 LEU H 5.000 . 5.500 3.459 3.324 3.676 . 0 0 "[ . 1]" 1
263 1 24 SER HB2 1 25 GLU H 5.000 . 5.500 3.404 2.479 3.865 . 0 0 "[ . 1]" 1
264 1 24 SER HB3 1 25 GLU H 5.000 . 5.500 3.000 2.401 4.047 . 0 0 "[ . 1]" 1
265 1 25 GLU H 1 25 GLU HB2 4.000 . 4.400 2.717 2.394 3.635 . 0 0 "[ . 1]" 1
266 1 25 GLU H 1 25 GLU HB3 4.000 . 4.400 2.503 2.410 2.586 . 0 0 "[ . 1]" 1
267 1 25 GLU H 1 26 GLU H 4.000 . 4.400 2.637 2.452 2.828 . 0 0 "[ . 1]" 1
268 1 25 GLU H 1 26 GLU HA 4.000 . 4.400 5.248 5.094 5.413 1.013 2 10 [*+*******-] 1
269 1 25 GLU H 1 28 ASP H 5.000 . 5.500 4.807 4.606 5.001 . 0 0 "[ . 1]" 1
270 1 25 GLU HA 1 28 ASP H 4.000 . 4.400 3.612 2.956 4.186 . 0 0 "[ . 1]" 1
271 1 25 GLU HA 1 29 HIS H 5.000 . 5.500 4.027 3.628 4.385 . 0 0 "[ . 1]" 1
272 1 25 GLU HA 2 23 VAL QG 7.400 . 8.140 28.041 27.137 29.204 21.064 6 10 [***-*+****] 1
273 1 25 GLU QB 2 20 GLU HA 6.000 . 6.600 32.972 32.225 34.160 27.560 6 10 [***-*+****] 1
274 1 25 GLU QB 2 23 VAL QG 8.400 . 9.240 26.240 25.593 27.145 17.905 6 10 [***-*+****] 1
275 1 25 GLU HB2 1 26 GLU H 5.000 . 5.500 3.877 3.720 4.182 . 0 0 "[ . 1]" 1
276 1 25 GLU HB3 1 26 GLU H 5.000 . 5.500 2.830 2.376 4.043 . 0 0 "[ . 1]" 1
277 1 26 GLU H 1 26 GLU HB2 4.000 . 4.400 2.502 2.380 2.607 . 0 0 "[ . 1]" 1
278 1 26 GLU H 1 26 GLU HB3 4.000 . 4.400 2.514 2.399 2.617 . 0 0 "[ . 1]" 1
279 1 26 GLU H 1 27 LEU H 4.000 . 4.400 2.774 2.623 2.928 . 0 0 "[ . 1]" 1
280 1 26 GLU H 1 27 LEU HA 4.000 . 4.400 5.345 5.245 5.462 1.062 6 10 [**-**+****] 1
281 1 26 GLU H 1 27 LEU QB 5.600 . 6.160 4.804 4.401 5.183 . 0 0 "[ . 1]" 1
282 1 26 GLU HA 1 27 LEU H 4.000 . 4.400 3.561 3.521 3.588 . 0 0 "[ . 1]" 1
283 1 26 GLU HA 1 29 HIS H . . 4.400 3.734 3.403 4.290 . 0 0 "[ . 1]" 1
284 1 26 GLU HA 2 19 LEU QB 6.000 . 6.600 27.028 26.047 28.055 21.455 6 10 [-****+****] 1
285 1 26 GLU HA 2 19 LEU QD 7.400 . 8.140 22.323 20.937 23.770 15.630 7 10 [-*****+***] 1
286 1 26 GLU QB 1 27 LEU HA 5.600 . 6.160 4.122 3.975 4.244 . 0 0 "[ . 1]" 1
287 1 26 GLU QB 2 19 LEU QD 8.400 . 9.240 20.695 19.321 21.817 12.577 7 10 [-*****+***] 1
288 1 26 GLU HB2 1 27 LEU H 5.000 . 5.500 3.782 3.628 4.028 . 0 0 "[ . 1]" 1
289 1 26 GLU HB3 1 27 LEU H 5.000 . 5.500 2.427 2.170 2.788 . 0 0 "[ . 1]" 1
290 1 26 GLU QG 1 27 LEU H 5.000 . 5.500 3.448 3.109 3.800 . 0 0 "[ . 1]" 1
291 1 26 GLU QG 1 30 ALA MB 7.000 . 7.700 3.174 2.712 3.452 . 0 0 "[ . 1]" 1
292 1 26 GLU QG 2 19 LEU QD 7.400 . 8.140 19.613 18.096 20.891 12.751 7 10 [-*****+***] 1
293 1 27 LEU H 1 27 LEU HB2 4.000 . 4.400 2.691 2.202 3.614 . 0 0 "[ . 1]" 1
294 1 27 LEU H 1 27 LEU HB3 4.000 . 4.400 3.378 2.572 3.605 . 0 0 "[ . 1]" 1
295 1 27 LEU H 1 28 ASP H 4.000 . 4.400 2.716 2.626 2.911 . 0 0 "[ . 1]" 1
296 1 27 LEU H 1 28 ASP HA 4.000 . 4.400 5.313 5.241 5.455 1.055 4 10 [***+*****-] 1
297 1 27 LEU H 1 28 ASP HB2 5.000 . 5.500 5.021 4.635 5.434 . 0 0 "[ . 1]" 1
298 1 27 LEU H 1 28 ASP HB3 5.000 . 5.500 5.141 4.708 6.178 0.678 8 2 "[ - . + 1]" 1
299 1 27 LEU H 1 29 HIS H . . 4.400 4.361 4.057 4.676 0.276 1 0 "[ . 1]" 1
300 1 27 LEU HA 1 28 ASP H 5.000 . 5.500 3.540 3.476 3.576 . 0 0 "[ . 1]" 1
301 1 27 LEU HA 1 30 ALA H 4.000 . 4.400 3.401 2.984 3.605 . 0 0 "[ . 1]" 1
302 1 27 LEU HA 1 30 ALA MB 6.000 . 6.600 2.423 2.048 2.656 . 0 0 "[ . 1]" 1
303 1 27 LEU HB2 1 28 ASP H 5.000 . 5.500 2.846 2.434 3.916 . 0 0 "[ . 1]" 1
304 1 27 LEU HB3 1 28 ASP H 5.000 . 5.500 3.596 2.846 4.064 . 0 0 "[ . 1]" 1
305 1 28 ASP H 1 28 ASP HB2 4.000 . 4.400 2.507 2.295 2.625 . 0 0 "[ . 1]" 1
306 1 28 ASP H 1 28 ASP HB3 4.000 . 4.400 2.762 2.431 3.630 . 0 0 "[ . 1]" 1
307 1 28 ASP H 1 29 HIS H 4.000 . 4.400 2.830 2.665 2.914 . 0 0 "[ . 1]" 1
308 1 28 ASP H 1 29 HIS HA . . 4.400 5.393 5.280 5.437 1.037 10 10 [**-******+] 1
309 1 28 ASP H 1 30 ALA H 4.000 . 4.400 4.051 3.804 4.362 . 0 0 "[ . 1]" 1
310 1 28 ASP HA 1 29 HIS H 4.000 . 4.400 3.548 3.512 3.591 . 0 0 "[ . 1]" 1
311 1 28 ASP HA 1 31 LEU H 5.000 . 5.500 3.898 3.748 4.254 . 0 0 "[ . 1]" 1
312 1 28 ASP HA 1 31 LEU QB 6.000 . 6.600 3.620 3.127 4.006 . 0 0 "[ . 1]" 1
313 1 28 ASP HA 2 23 VAL QG 6.000 . 6.600 24.328 23.264 25.436 18.836 6 10 [***-*+****] 1
314 1 28 ASP QB 1 29 HIS HA 5.600 . 6.160 4.048 3.745 4.220 . 0 0 "[ . 1]" 1
315 1 28 ASP QB 2 23 VAL QG 8.400 . 9.240 23.262 22.379 24.295 15.055 6 10 [***-*+****] 1
316 1 28 ASP HB2 1 29 HIS H 5.000 . 5.500 3.454 2.319 3.844 . 0 0 "[ . 1]" 1
317 1 28 ASP HB3 1 29 HIS H 5.000 . 5.500 2.512 2.223 3.339 . 0 0 "[ . 1]" 1
318 1 29 HIS H 1 30 ALA H . . 4.400 2.655 2.450 2.939 . 0 0 "[ . 1]" 1
319 1 29 HIS H 1 30 ALA HA 4.000 . 4.400 5.236 5.058 5.474 1.074 8 10 [****-**+**] 1
320 1 29 HIS H 1 30 ALA MB 6.000 . 6.600 4.322 4.154 4.575 . 0 0 "[ . 1]" 1
321 1 29 HIS HA 1 30 ALA H 5.000 . 5.500 3.508 3.424 3.568 . 0 0 "[ . 1]" 1
322 1 29 HIS HA 1 31 LEU H 5.000 . 5.500 4.473 4.282 4.808 . 0 0 "[ . 1]" 1
323 1 29 HIS HA 1 32 LYS H 5.000 . 5.500 3.439 3.047 3.961 . 0 0 "[ . 1]" 1
324 1 29 HIS HA 1 32 LYS QB 5.000 . 5.500 2.438 1.835 2.977 . 0 0 "[ . 1]" 1
325 1 29 HIS HA 1 32 LYS QD 7.400 . 8.140 3.854 3.100 5.389 . 0 0 "[ . 1]" 1
326 1 29 HIS HA 1 33 ASP H 5.000 . 5.500 3.990 3.510 4.396 . 0 0 "[ . 1]" 1
327 1 29 HIS HA 1 33 ASP QB 6.000 . 6.600 5.055 4.469 5.639 . 0 0 "[ . 1]" 1
328 1 29 HIS HA 2 23 VAL QG 6.000 . 6.600 24.275 23.561 25.229 18.629 6 10 [***-*+****] 1
329 1 29 HIS HD1 2 27 LYS QB 8.400 . 9.240 32.011 30.268 33.907 24.667 9 10 [***-****+*] 1
330 1 30 ALA H 1 31 LEU H 4.000 . 4.400 2.759 2.646 2.988 . 0 0 "[ . 1]" 1
331 1 30 ALA H 1 31 LEU HA 4.000 . 4.400 5.339 5.250 5.503 1.103 3 10 [**+*-*****] 1
332 1 30 ALA H 1 32 LYS H 4.000 . 4.400 3.939 3.686 4.269 . 0 0 "[ . 1]" 1
333 1 30 ALA HA 1 33 ASP H 5.000 . 5.500 3.743 3.525 3.951 . 0 0 "[ . 1]" 1
334 1 30 ALA HA 1 33 ASP QB 6.000 . 6.600 2.970 2.676 3.441 . 0 0 "[ . 1]" 1
335 1 30 ALA HA 1 34 MET H . . 4.400 5.517 4.987 5.906 1.506 6 10 [-****+****] 1
336 1 30 ALA HA 1 34 MET QB 5.000 . 5.500 6.686 5.982 7.387 1.887 9 9 "[ **-****+*]" 1
337 1 30 ALA MB 1 31 LEU H 5.000 . 5.500 2.487 2.343 2.649 . 0 0 "[ . 1]" 1
338 1 31 LEU H 1 31 LEU HB2 4.000 . 4.400 2.336 2.212 2.535 . 0 0 "[ . 1]" 1
339 1 31 LEU H 1 31 LEU HB3 4.000 . 4.400 3.578 3.501 3.647 . 0 0 "[ . 1]" 1
340 1 31 LEU H 1 32 LYS H 4.000 . 4.400 2.381 2.290 2.482 . 0 0 "[ . 1]" 1
341 1 31 LEU H 1 32 LYS HA 5.000 . 5.500 5.041 4.982 5.124 . 0 0 "[ . 1]" 1
342 1 31 LEU H 1 32 LYS QB 5.600 . 6.160 4.203 3.911 4.510 . 0 0 "[ . 1]" 1
343 1 31 LEU H 1 33 ASP H 4.000 . 4.400 3.821 3.649 4.080 . 0 0 "[ . 1]" 1
344 1 31 LEU HA 1 32 LYS H 5.000 . 5.500 3.473 3.420 3.518 . 0 0 "[ . 1]" 1
345 1 31 LEU HA 1 33 ASP H 5.000 . 5.500 3.870 3.516 4.372 . 0 0 "[ . 1]" 1
346 1 31 LEU HA 1 34 MET H 5.000 . 5.500 3.855 3.378 4.311 . 0 0 "[ . 1]" 1
347 1 31 LEU HA 1 34 MET QB 5.000 . 5.500 4.729 3.240 5.570 0.070 5 0 "[ . 1]" 1
348 1 31 LEU HA 1 34 MET ME 6.000 . 6.600 2.879 1.955 4.215 . 0 0 "[ . 1]" 1
349 1 31 LEU HA 1 35 THR H 5.000 . 5.500 5.223 4.162 6.472 0.972 10 3 "[- *. +]" 1
350 1 31 LEU QB 1 32 LYS HA 5.600 . 6.160 4.039 3.888 4.134 . 0 0 "[ . 1]" 1
351 1 31 LEU QB 1 32 LYS QB 5.200 . 5.720 4.342 4.026 4.608 . 0 0 "[ . 1]" 1
352 1 31 LEU QB 1 34 MET QB . . 6.600 5.862 4.655 6.772 0.172 2 0 "[ . 1]" 1
353 1 31 LEU QB 1 35 THR HB 6.000 . 6.600 7.423 4.999 9.081 2.481 8 6 "[ *-*.**+ 1]" 1
354 1 31 LEU HB2 1 32 LYS H 5.000 . 5.500 3.053 2.816 3.235 . 0 0 "[ . 1]" 1
355 1 31 LEU HB2 1 32 LYS HA 5.000 . 5.500 4.683 4.426 4.908 . 0 0 "[ . 1]" 1
356 1 31 LEU HB2 1 32 LYS QB 5.600 . 6.160 4.646 4.295 5.025 . 0 0 "[ . 1]" 1
357 1 31 LEU HB3 1 32 LYS H 5.000 . 5.500 3.772 3.641 3.999 . 0 0 "[ . 1]" 1
358 1 31 LEU HB3 1 32 LYS HA 5.000 . 5.500 4.428 4.281 4.640 . 0 0 "[ . 1]" 1
359 1 31 LEU HB3 1 32 LYS QB 5.600 . 6.160 5.232 4.863 5.644 . 0 0 "[ . 1]" 1
360 1 32 LYS H 1 32 LYS HD2 6.000 . 6.600 4.502 2.827 5.635 . 0 0 "[ . 1]" 1
361 1 32 LYS H 1 32 LYS HD3 6.000 . 6.600 4.581 2.750 5.978 . 0 0 "[ . 1]" 1
362 1 32 LYS H 1 33 ASP H 4.000 . 4.400 2.439 2.305 2.630 . 0 0 "[ . 1]" 1
363 1 32 LYS H 1 33 ASP HA 4.000 . 4.400 5.006 4.806 5.245 0.845 1 8 "[+ **** -**]" 1
364 1 32 LYS H 1 34 MET H 4.000 . 4.400 4.433 4.011 4.968 0.568 2 1 "[ + . 1]" 1
365 1 32 LYS H 1 35 THR HB 6.000 . 6.600 7.565 5.159 9.023 2.423 8 7 "[ ***-**+ 1]" 1
366 1 32 LYS HA 1 33 ASP H 5.000 . 5.500 3.433 3.390 3.544 . 0 0 "[ . 1]" 1
367 1 32 LYS HA 1 34 MET H 5.000 . 5.500 3.993 3.405 4.719 . 0 0 "[ . 1]" 1
368 1 32 LYS HA 1 35 THR H 5.000 . 5.500 4.149 3.663 4.485 . 0 0 "[ . 1]" 1
369 1 32 LYS HA 1 36 SER HG 7.400 . 8.140 9.187 7.281 10.917 2.777 3 7 "[**+ .-** *]" 1
370 1 32 LYS HA 2 26 LEU QD 7.400 . 8.140 24.580 22.361 26.793 18.653 6 10 [*-***+****] 1
371 1 32 LYS QB 1 33 ASP H 5.000 . 5.500 2.950 2.594 3.107 . 0 0 "[ . 1]" 1
372 1 32 LYS QB 2 30 VAL QG 7.400 . 8.140 26.890 25.839 28.413 20.273 6 10 [*-***+****] 1
373 1 32 LYS QD 1 33 ASP H 7.400 . 8.140 4.926 4.441 5.392 . 0 0 "[ . 1]" 1
374 1 32 LYS QD 1 34 MET H 7.400 . 8.140 6.383 5.098 7.748 . 0 0 "[ . 1]" 1
375 1 32 LYS QD 1 35 THR H 7.400 . 8.140 6.606 4.823 7.832 . 0 0 "[ . 1]" 1
376 1 32 LYS QD 2 26 LEU HA 7.400 . 8.140 33.614 31.062 35.242 27.102 6 10 [***-*+****] 1
377 1 32 LYS QD 2 26 LEU HG 7.400 . 8.140 32.877 29.300 34.837 26.697 6 10 [***-*+****] 1
378 1 32 LYS QD 2 27 LYS HA 7.400 . 8.140 34.630 31.905 36.038 27.898 5 10 [***-+*****] 1
379 1 32 LYS QD 2 27 LYS QB 8.400 . 9.240 30.077 27.385 31.424 22.184 5 10 [***-+*****] 1
380 1 32 LYS QD 2 27 LYS QE 8.400 . 9.240 28.194 25.428 29.503 20.263 10 10 [***-*****+] 1
381 1 32 LYS QD 2 27 LYS QG 8.400 . 9.240 29.504 27.425 30.475 21.235 1 10 [+**-******] 1
382 1 32 LYS QD 2 30 VAL QG 9.800 . 10.780 27.518 25.329 28.713 17.933 5 10 [***-+*****] 1
383 1 33 ASP H 1 34 MET H 4.000 . 4.400 2.837 2.659 3.107 . 0 0 "[ . 1]" 1
384 1 33 ASP H 1 34 MET HA 3.000 . 3.300 5.383 5.221 5.584 2.284 7 10 [******+-**] 1
385 1 33 ASP H 1 34 MET QB 5.600 . 6.160 5.156 4.763 5.606 . 0 0 "[ . 1]" 1
386 1 33 ASP H 1 35 THR HB 6.000 . 6.600 6.926 5.051 8.079 1.479 8 6 "[ * ***-+ 1]" 1
387 1 33 ASP H 1 36 SER HG 7.400 . 8.140 9.901 8.108 11.611 3.471 2 8 "[*+*-.*** *]" 1
388 1 33 ASP HA 1 34 MET H 5.000 . 5.500 3.506 3.384 3.578 . 0 0 "[ . 1]" 1
389 1 33 ASP HA 1 34 MET HA 5.000 . 5.500 4.592 4.492 4.758 . 0 0 "[ . 1]" 1
390 1 33 ASP HA 1 36 SER H 5.000 . 5.500 7.232 6.255 8.019 2.519 4 10 [-**+******] 1
391 1 33 ASP HA 1 36 SER HG 7.400 . 8.140 9.049 7.716 11.451 3.311 2 3 "[ +* . - 1]" 1
392 1 33 ASP HA 1 37 ILE HA 6.000 . 6.600 10.924 9.887 11.982 5.382 9 10 [********+-] 1
393 1 33 ASP HA 2 26 LEU QD 7.400 . 8.140 24.831 23.291 26.904 18.764 6 10 [*-***+****] 1
394 1 33 ASP QB 2 26 LEU QD 8.400 . 9.240 21.877 20.566 23.401 14.161 6 10 [*-***+****] 1
395 1 34 MET H 1 34 MET HA 3.000 . 3.300 2.907 2.834 2.947 . 0 0 "[ . 1]" 1
396 1 34 MET H 1 34 MET HB2 3.000 . 3.300 3.393 2.458 3.788 0.488 4 0 "[ . 1]" 1
397 1 34 MET H 1 34 MET QB 3.600 . 3.960 2.803 2.419 3.091 . 0 0 "[ . 1]" 1
398 1 34 MET H 1 34 MET HB3 3.000 . 3.300 3.196 2.533 3.671 0.371 1 0 "[ . 1]" 1
399 1 34 MET H 1 35 THR HA 4.000 . 4.400 4.661 4.276 5.153 0.753 8 1 "[ . + 1]" 1
400 1 34 MET H 1 35 THR HB 5.600 . 6.160 5.452 4.268 6.535 0.375 2 0 "[ . 1]" 1
401 1 34 MET HA 1 37 ILE H 4.000 . 4.400 5.530 3.723 7.155 2.755 9 6 "[ *- *** +1]" 1
402 1 34 MET HA 1 37 ILE HA . . 5.500 6.818 5.292 8.175 2.675 9 7 "[ - *****+1]" 1
403 1 34 MET QG 1 35 THR H 6.000 . 6.600 3.095 1.454 4.512 . 0 0 "[ . 1]" 1
404 1 35 THR H 1 36 SER H . . 3.300 3.132 2.548 3.954 0.654 4 2 "[ - +. 1]" 1
405 1 35 THR H 1 36 SER HA 4.000 . 4.400 5.429 5.082 5.839 1.439 4 10 [***+*****-] 1
406 1 35 THR H 1 36 SER HG 7.400 . 8.140 5.703 4.452 7.682 . 0 0 "[ . 1]" 1
407 1 35 THR H 1 37 ILE H 4.000 . 4.400 4.610 3.135 5.350 0.950 9 4 "[ * *.- +1]" 1
408 1 35 THR HA 1 36 SER H 4.000 . 4.400 3.194 2.294 3.520 . 0 0 "[ . 1]" 1
409 1 35 THR HA 1 37 ILE H 5.000 . 5.500 4.041 3.406 4.644 . 0 0 "[ . 1]" 1
410 1 35 THR HA 2 30 VAL QG 6.000 . 6.600 25.318 24.373 27.005 20.405 6 10 [***-*+****] 1
411 1 36 SER H 1 37 ILE HA 4.600 . 5.060 4.754 4.251 5.566 0.506 6 1 "[ .+ 1]" 1
412 1 36 SER HA 1 37 ILE H 4.000 . 4.400 2.841 2.336 3.456 . 0 0 "[ . 1]" 1
413 1 36 SER HA 1 37 ILE HA 5.600 . 6.160 4.508 4.212 4.865 . 0 0 "[ . 1]" 1
414 1 36 SER HA 2 30 VAL QG 6.000 . 6.600 22.222 21.219 23.884 17.284 6 10 [*-***+****] 1
415 1 36 SER HG 1 37 ILE H 7.400 . 8.140 4.751 4.143 5.811 . 0 0 "[ . 1]" 1
416 1 36 SER HG 2 26 LEU QB 7.400 . 8.140 21.853 17.748 25.012 16.872 6 10 [*-***+****] 1
417 1 36 SER HG 2 26 LEU QD 9.800 . 10.780 18.622 14.745 21.408 10.628 6 10 [*-***+****] 1
418 1 36 SER HG 2 29 LEU QB 7.400 . 8.140 26.469 22.312 29.523 21.383 6 10 [*-***+****] 1
419 1 36 SER HG 2 29 LEU HG 7.400 . 8.140 31.754 26.795 35.540 27.400 6 10 [*-***+****] 1
420 2 2 MET H 2 2 MET ME 6.000 . 6.600 4.441 3.389 5.156 . 0 0 "[ . 1]" 1
421 2 2 MET H 2 6 LYS QE 6.000 . 6.600 5.438 3.790 6.063 . 0 0 "[ . 1]" 1
422 2 2 MET HA 2 3 ASP H 5.000 . 5.500 2.329 2.112 2.850 . 0 0 "[ . 1]" 1
423 2 2 MET HA 2 5 ILE MG 6.000 . 6.600 4.285 3.976 4.847 . 0 0 "[ . 1]" 1
424 2 2 MET HA 3 31 LEU QD 7.400 . 8.140 5.417 4.969 5.899 . 0 0 "[ . 1]" 1
425 2 2 MET QB 2 4 ALA H 5.000 . 5.500 4.028 3.476 4.691 . 0 0 "[ . 1]" 1
426 2 2 MET QB 2 4 ALA MB 7.000 . 7.700 3.982 3.185 5.038 . 0 0 "[ . 1]" 1
427 2 2 MET QB 2 5 ILE H 5.000 . 5.500 3.616 2.666 4.721 . 0 0 "[ . 1]" 1
428 2 2 MET QB 2 6 LYS QE 7.000 . 7.700 3.978 2.657 4.901 . 0 0 "[ . 1]" 1
429 2 2 MET QB 3 27 LEU QD 8.400 . 9.240 4.243 2.548 5.716 . 0 0 "[ . 1]" 1
430 2 2 MET QB 3 30 ALA MB 7.000 . 7.700 2.952 2.221 3.811 . 0 0 "[ . 1]" 1
431 2 2 MET QB 3 31 LEU QD 8.400 . 9.240 3.167 2.856 3.593 . 0 0 "[ . 1]" 1
432 2 2 MET HB2 2 3 ASP H 4.500 . 4.950 4.522 4.446 4.620 . 0 0 "[ . 1]" 1
433 2 2 MET HB2 2 6 LYS H 5.000 . 5.500 4.886 3.912 5.702 0.202 7 0 "[ . 1]" 1
434 2 2 MET HB3 2 3 ASP H 4.500 . 4.950 4.128 3.709 4.475 . 0 0 "[ . 1]" 1
435 2 2 MET HB3 2 6 LYS H 5.000 . 5.500 4.174 3.700 4.875 . 0 0 "[ . 1]" 1
436 2 2 MET ME 3 23 ILE MD 7.000 . 7.700 4.153 2.544 5.053 . 0 0 "[ . 1]" 1
437 2 2 MET ME 3 26 GLU QG 7.000 . 7.700 4.764 3.572 5.463 . 0 0 "[ . 1]" 1
438 2 2 MET ME 3 27 LEU HA 6.000 . 6.600 3.872 1.904 4.701 . 0 0 "[ . 1]" 1
439 2 2 MET ME 3 27 LEU QD 8.400 . 9.240 2.780 1.741 4.677 . 0 0 "[ . 1]" 1
440 2 2 MET ME 3 30 ALA MB 7.000 . 7.700 4.305 2.661 5.257 . 0 0 "[ . 1]" 1
441 2 2 MET ME 3 31 LEU QD 8.400 . 9.240 3.226 2.084 4.106 . 0 0 "[ . 1]" 1
442 2 2 MET QG 2 3 ASP H 6.000 . 6.600 4.355 3.356 4.854 . 0 0 "[ . 1]" 1
443 2 2 MET QG 2 5 ILE MG 7.000 . 7.700 2.851 1.625 4.099 . 0 0 "[ . 1]" 1
444 2 3 ASP H 2 4 ALA H 4.000 . 4.400 2.647 2.384 2.843 . 0 0 "[ . 1]" 1
445 2 3 ASP HA 2 4 ALA H 4.000 . 4.400 3.473 3.411 3.537 . 0 0 "[ . 1]" 1
446 2 3 ASP HA 2 6 LYS H 4.000 . 4.400 3.534 3.094 3.917 . 0 0 "[ . 1]" 1
447 2 3 ASP HA 2 6 LYS QB 6.000 . 6.600 2.359 1.664 2.810 . 0 0 "[ . 1]" 1
448 2 3 ASP HA 2 6 LYS QD 6.000 . 6.600 4.465 3.511 5.591 . 0 0 "[ . 1]" 1
449 2 3 ASP HA 2 6 LYS QE 6.000 . 6.600 5.440 4.421 5.930 . 0 0 "[ . 1]" 1
450 2 3 ASP HA 2 6 LYS QG 6.000 . 6.600 3.696 2.491 4.513 . 0 0 "[ . 1]" 1
451 2 3 ASP HA 2 7 LYS H 5.000 . 5.500 3.347 2.934 3.842 . 0 0 "[ . 1]" 1
452 2 3 ASP HA 2 7 LYS QB 6.000 . 6.600 4.015 3.552 4.665 . 0 0 "[ . 1]" 1
453 2 3 ASP QB 2 4 ALA H 5.600 . 6.160 3.113 2.453 3.648 . 0 0 "[ . 1]" 1
454 2 3 ASP QB 2 4 ALA HA 5.600 . 6.160 4.177 3.699 4.589 . 0 0 "[ . 1]" 1
455 2 3 ASP QB 2 4 ALA MB 6.600 . 7.260 4.374 3.763 4.869 . 0 0 "[ . 1]" 1
456 2 3 ASP QB 2 6 LYS QB 7.000 . 7.700 4.092 3.315 4.569 . 0 0 "[ . 1]" 1
457 2 3 ASP QB 2 6 LYS QG 7.000 . 7.700 5.216 4.283 5.966 . 0 0 "[ . 1]" 1
458 2 3 ASP QB 2 7 LYS H 6.000 . 6.600 4.234 3.778 5.168 . 0 0 "[ . 1]" 1
459 2 3 ASP QB 2 7 LYS QB 7.000 . 7.700 3.610 3.062 5.005 . 0 0 "[ . 1]" 1
460 2 3 ASP QB 2 7 LYS HD2 6.000 . 6.600 4.299 2.419 5.741 . 0 0 "[ . 1]" 1
461 2 3 ASP QB 2 7 LYS HD3 6.000 . 6.600 4.139 1.961 5.804 . 0 0 "[ . 1]" 1
462 2 4 ALA H 2 5 ILE H 5.000 . 5.500 3.098 2.959 3.242 . 0 0 "[ . 1]" 1
463 2 4 ALA H 2 7 LYS H 5.000 . 5.500 4.722 4.606 4.983 . 0 0 "[ . 1]" 1
464 2 4 ALA HA 2 5 ILE H 5.000 . 5.500 3.575 3.559 3.591 . 0 0 "[ . 1]" 1
465 2 4 ALA HA 2 7 LYS H 5.000 . 5.500 4.285 4.116 4.521 . 0 0 "[ . 1]" 1
466 2 4 ALA HA 2 7 LYS HB2 5.000 . 5.500 4.519 3.791 5.276 . 0 0 "[ . 1]" 1
467 2 4 ALA HA 2 7 LYS HB3 5.000 . 5.500 4.520 3.523 5.523 0.023 7 0 "[ . 1]" 1
468 2 4 ALA HA 2 8 LYS H 5.000 . 5.500 4.342 4.004 4.485 . 0 0 "[ . 1]" 1
469 2 4 ALA MB 2 5 ILE H 5.000 . 5.500 2.063 1.923 2.181 . 0 0 "[ . 1]" 1
470 2 4 ALA MB 2 5 ILE HA 6.000 . 6.600 3.762 3.686 3.843 . 0 0 "[ . 1]" 1
471 2 4 ALA MB 3 31 LEU QD 8.400 . 9.240 5.581 5.388 5.635 . 0 0 "[ . 1]" 1
472 2 5 ILE H 2 5 ILE HB 4.000 . 4.400 2.856 2.710 3.039 . 0 0 "[ . 1]" 1
473 2 5 ILE H 2 5 ILE HG12 5.000 . 5.500 4.388 4.164 4.655 . 0 0 "[ . 1]" 1
474 2 5 ILE H 2 5 ILE HG13 5.000 . 5.500 4.626 4.281 4.751 . 0 0 "[ . 1]" 1
475 2 5 ILE H 2 6 LYS H 4.000 . 4.400 2.590 2.439 2.715 . 0 0 "[ . 1]" 1
476 2 5 ILE H 2 6 LYS QB 5.600 . 6.160 4.504 4.228 4.787 . 0 0 "[ . 1]" 1
477 2 5 ILE H 2 8 LYS QB 6.000 . 6.600 4.881 4.573 5.293 . 0 0 "[ . 1]" 1
478 2 5 ILE HA 2 6 LYS H 4.000 . 4.400 3.532 3.516 3.555 . 0 0 "[ . 1]" 1
479 2 5 ILE HA 2 7 LYS H 5.000 . 5.500 4.555 4.351 4.709 . 0 0 "[ . 1]" 1
480 2 5 ILE HA 2 8 LYS H 5.000 . 5.500 3.567 3.394 3.728 . 0 0 "[ . 1]" 1
481 2 5 ILE HA 2 8 LYS QB 5.000 . 5.500 2.629 2.180 3.094 . 0 0 "[ . 1]" 1
482 2 5 ILE HA 2 8 LYS QD 6.000 . 6.600 4.098 2.552 5.315 . 0 0 "[ . 1]" 1
483 2 5 ILE HA 2 8 LYS QG 6.000 . 6.600 4.016 3.495 5.157 . 0 0 "[ . 1]" 1
484 2 5 ILE HB 2 6 LYS H 4.000 . 4.400 4.158 4.058 4.258 . 0 0 "[ . 1]" 1
485 2 5 ILE HB 2 9 MET H 5.000 . 5.500 5.529 5.450 5.581 0.081 4 0 "[ . 1]" 1
486 2 5 ILE MD 2 6 LYS H 6.000 . 6.600 3.980 3.245 4.364 . 0 0 "[ . 1]" 1
487 2 5 ILE MD 2 6 LYS HA 6.000 . 6.600 3.745 2.495 4.345 . 0 0 "[ . 1]" 1
488 2 5 ILE MD 2 6 LYS QE 7.000 . 7.700 2.608 1.881 3.265 . 0 0 "[ . 1]" 1
489 2 5 ILE MD 2 9 MET H 6.000 . 6.600 4.488 3.230 5.295 . 0 0 "[ . 1]" 1
490 2 5 ILE MD 2 9 MET QG 7.000 . 7.700 4.067 3.072 4.807 . 0 0 "[ . 1]" 1
491 2 5 ILE MD 3 31 LEU HA 6.000 . 6.600 4.141 3.493 5.530 . 0 0 "[ . 1]" 1
492 2 5 ILE MD 3 34 MET ME 7.000 . 7.700 2.064 1.778 3.219 . 0 0 "[ . 1]" 1
493 2 5 ILE MD 3 37 ILE HB 6.000 . 6.600 4.392 3.711 5.231 . 0 0 "[ . 1]" 1
494 2 5 ILE MD 3 37 ILE HG12 6.000 . 6.600 4.804 4.055 5.338 . 0 0 "[ . 1]" 1
495 2 5 ILE MD 3 37 ILE QG 7.000 . 7.700 4.279 3.760 4.892 . 0 0 "[ . 1]" 1
496 2 5 ILE QG 2 6 LYS QD 7.000 . 7.700 3.580 2.081 4.732 . 0 0 "[ . 1]" 1
497 2 5 ILE QG 2 6 LYS QE 7.000 . 7.700 3.146 1.689 4.704 . 0 0 "[ . 1]" 1
498 2 5 ILE QG 2 8 LYS H 6.000 . 6.600 4.935 4.631 5.416 . 0 0 "[ . 1]" 1
499 2 5 ILE QG 2 9 MET H 6.000 . 6.600 3.716 3.394 4.330 . 0 0 "[ . 1]" 1
500 2 5 ILE QG 3 31 LEU QD 8.400 . 9.240 3.553 2.426 3.956 . 0 0 "[ . 1]" 1
501 2 5 ILE QG 3 34 MET ME 7.000 . 7.700 3.011 2.198 3.756 . 0 0 "[ . 1]" 1
502 2 5 ILE QG 3 34 MET QG 7.000 . 7.700 5.176 4.304 5.898 . 0 0 "[ . 1]" 1
503 2 5 ILE QG 3 37 ILE MD 7.000 . 7.700 3.010 2.709 3.275 . 0 0 "[ . 1]" 1
504 2 5 ILE QG 3 37 ILE HG12 6.000 . 6.600 5.578 5.107 5.937 . 0 0 "[ . 1]" 1
505 2 5 ILE QG 3 37 ILE HG13 6.000 . 6.600 5.480 4.959 5.967 . 0 0 "[ . 1]" 1
506 2 5 ILE QG 3 37 ILE MG 7.000 . 7.700 4.378 3.436 4.777 . 0 0 "[ . 1]" 1
507 2 5 ILE HG12 2 6 LYS H 5.000 . 5.500 3.915 3.173 4.742 . 0 0 "[ . 1]" 1
508 2 5 ILE HG12 2 9 MET QG 6.000 . 6.600 4.663 4.230 5.592 . 0 0 "[ . 1]" 1
509 2 5 ILE HG12 3 31 LEU QD 7.400 . 8.140 4.127 2.476 5.033 . 0 0 "[ . 1]" 1
510 2 5 ILE HG12 3 37 ILE MG 6.000 . 6.600 5.056 3.968 5.402 . 0 0 "[ . 1]" 1
511 2 5 ILE HG13 2 6 LYS H 5.000 . 5.500 4.691 3.310 5.177 . 0 0 "[ . 1]" 1
512 2 5 ILE HG13 2 9 MET QG 6.000 . 6.600 5.017 4.130 5.712 . 0 0 "[ . 1]" 1
513 2 5 ILE HG13 3 37 ILE MD 6.000 . 6.600 3.315 2.779 3.865 . 0 0 "[ . 1]" 1
514 2 5 ILE MG 2 6 LYS H 6.000 . 6.600 2.274 2.115 2.403 . 0 0 "[ . 1]" 1
515 2 5 ILE MG 2 6 LYS QG 7.000 . 7.700 3.558 2.111 4.360 . 0 0 "[ . 1]" 1
516 2 5 ILE MG 2 9 MET H 6.000 . 6.600 5.072 4.839 5.334 . 0 0 "[ . 1]" 1
517 2 5 ILE MG 3 31 LEU HA 6.000 . 6.600 4.792 4.376 5.054 . 0 0 "[ . 1]" 1
518 2 5 ILE MG 3 31 LEU QB 7.000 . 7.700 5.315 5.000 5.520 . 0 0 "[ . 1]" 1
519 2 5 ILE MG 3 34 MET ME 7.000 . 7.700 3.842 3.074 4.518 . 0 0 "[ . 1]" 1
520 2 6 LYS H 2 6 LYS QE 6.000 . 6.600 3.292 2.164 4.135 . 0 0 "[ . 1]" 1
521 2 6 LYS H 2 6 LYS HG2 5.000 . 5.500 3.445 1.737 4.177 . 0 0 "[ . 1]" 1
522 2 6 LYS H 2 6 LYS HG3 5.000 . 5.500 3.986 3.170 4.310 . 0 0 "[ . 1]" 1
523 2 6 LYS H 2 7 LYS H 4.000 . 4.400 2.761 2.460 2.894 . 0 0 "[ . 1]" 1
524 2 6 LYS HA 2 9 MET H 4.000 . 4.400 3.593 3.106 3.816 . 0 0 "[ . 1]" 1
525 2 6 LYS HA 2 9 MET QG 6.000 . 6.600 4.285 2.471 4.761 . 0 0 "[ . 1]" 1
526 2 6 LYS HA 3 34 MET QB 6.000 . 6.600 5.494 4.621 5.971 . 0 0 "[ . 1]" 1
527 2 6 LYS QB 2 7 LYS H 4.600 . 5.060 2.608 2.507 2.763 . 0 0 "[ . 1]" 1
528 2 6 LYS QB 2 7 LYS HA 5.600 . 6.160 3.848 3.712 4.048 . 0 0 "[ . 1]" 1
529 2 6 LYS QB 2 8 LYS H 6.000 . 6.600 4.710 4.494 4.885 . 0 0 "[ . 1]" 1
530 2 6 LYS QB 3 30 ALA MB 7.000 . 7.700 4.653 4.098 5.287 . 0 0 "[ . 1]" 1
531 2 6 LYS QD 2 7 LYS H 6.000 . 6.600 4.606 4.225 5.369 . 0 0 "[ . 1]" 1
532 2 6 LYS QD 3 30 ALA MB 7.000 . 7.700 2.535 1.844 4.139 . 0 0 "[ . 1]" 1
533 2 6 LYS QD 3 31 LEU QD 8.400 . 9.240 3.365 2.779 4.142 . 0 0 "[ . 1]" 1
534 2 6 LYS QD 3 34 MET ME 7.000 . 7.700 3.839 2.589 4.701 . 0 0 "[ . 1]" 1
535 2 6 LYS QE 3 34 MET ME 7.000 . 7.700 2.860 1.803 4.050 . 0 0 "[ . 1]" 1
536 2 6 LYS QE 3 37 ILE MD 7.000 . 7.700 4.739 3.976 5.709 . 0 0 "[ . 1]" 1
537 2 6 LYS QG 2 7 LYS H 6.000 . 6.600 4.332 3.745 4.589 . 0 0 "[ . 1]" 1
538 2 6 LYS QG 3 31 LEU QD 8.400 . 9.240 4.559 3.835 4.990 . 0 0 "[ . 1]" 1
539 2 6 LYS HG2 3 31 LEU QD 7.400 . 8.140 5.057 4.077 5.578 . 0 0 "[ . 1]" 1
540 2 7 LYS H 2 7 LYS HB2 4.000 . 4.400 2.459 2.176 2.731 . 0 0 "[ . 1]" 1
541 2 7 LYS H 2 7 LYS HB3 4.000 . 4.400 2.916 2.321 3.589 . 0 0 "[ . 1]" 1
542 2 7 LYS H 2 7 LYS HD2 5.000 . 5.500 4.347 2.474 5.182 . 0 0 "[ . 1]" 1
543 2 7 LYS H 2 7 LYS HD3 5.000 . 5.500 4.304 2.868 5.215 . 0 0 "[ . 1]" 1
544 2 7 LYS H 2 7 LYS HG2 5.000 . 5.500 4.254 3.663 4.587 . 0 0 "[ . 1]" 1
545 2 7 LYS H 2 7 LYS HG3 5.000 . 5.500 4.016 2.245 4.538 . 0 0 "[ . 1]" 1
546 2 7 LYS H 2 10 GLN H 5.000 . 5.500 4.738 4.525 4.899 . 0 0 "[ . 1]" 1
547 2 7 LYS HA 2 7 LYS QE 6.000 . 6.600 4.544 3.682 5.205 . 0 0 "[ . 1]" 1
548 2 7 LYS HA 2 8 LYS H 5.000 . 5.500 3.549 3.513 3.590 . 0 0 "[ . 1]" 1
549 2 7 LYS HA 2 10 GLN H 5.000 . 5.500 3.400 2.959 3.801 . 0 0 "[ . 1]" 1
550 2 7 LYS HA 2 10 GLN HB2 5.000 . 5.500 3.415 2.653 4.214 . 0 0 "[ . 1]" 1
551 2 7 LYS HA 2 10 GLN HB3 5.000 . 5.500 3.092 2.611 3.611 . 0 0 "[ . 1]" 1
552 2 7 LYS HA 2 10 GLN QG 6.000 . 6.600 4.864 4.347 5.422 . 0 0 "[ . 1]" 1
553 2 7 LYS HB2 2 8 LYS H 5.000 . 5.500 3.443 2.698 3.992 . 0 0 "[ . 1]" 1
554 2 7 LYS HB3 2 8 LYS H 5.000 . 5.500 2.922 2.293 3.724 . 0 0 "[ . 1]" 1
555 2 7 LYS QG 2 10 GLN QB 7.000 . 7.700 3.933 2.868 4.509 . 0 0 "[ . 1]" 1
556 2 7 LYS QG 2 10 GLN QE 7.000 . 7.700 5.147 4.150 6.013 . 0 0 "[ . 1]" 1
557 2 7 LYS HG2 2 8 LYS H 5.000 . 5.500 4.366 3.313 5.270 . 0 0 "[ . 1]" 1
558 2 7 LYS HG3 2 8 LYS H 5.000 . 5.500 4.631 3.840 5.115 . 0 0 "[ . 1]" 1
559 2 8 LYS H 2 8 LYS HB2 4.000 . 4.400 2.382 2.257 2.474 . 0 0 "[ . 1]" 1
560 2 8 LYS H 2 8 LYS HB3 4.000 . 4.400 3.512 2.827 3.635 . 0 0 "[ . 1]" 1
561 2 8 LYS H 2 8 LYS HG2 5.000 . 5.500 3.589 2.945 4.554 . 0 0 "[ . 1]" 1
562 2 8 LYS H 2 8 LYS HG3 5.000 . 5.500 2.783 2.305 4.294 . 0 0 "[ . 1]" 1
563 2 8 LYS H 2 9 MET H 4.000 . 4.400 2.608 2.493 2.756 . 0 0 "[ . 1]" 1
564 2 8 LYS H 2 10 GLN H 5.000 . 5.500 4.151 3.907 4.365 . 0 0 "[ . 1]" 1
565 2 8 LYS HA 2 8 LYS HD2 5.000 . 5.500 4.354 3.995 4.758 . 0 0 "[ . 1]" 1
566 2 8 LYS HA 2 8 LYS HD3 5.000 . 5.500 4.527 4.245 4.657 . 0 0 "[ . 1]" 1
567 2 8 LYS HA 2 8 LYS QE 6.000 . 6.600 4.348 2.365 4.927 . 0 0 "[ . 1]" 1
568 2 8 LYS HA 2 9 MET H 4.000 . 4.400 3.516 3.472 3.553 . 0 0 "[ . 1]" 1
569 2 8 LYS HA 2 10 GLN H 5.000 . 5.500 4.244 3.946 4.435 . 0 0 "[ . 1]" 1
570 2 8 LYS HA 2 10 GLN QB 6.000 . 6.600 4.654 4.318 4.876 . 0 0 "[ . 1]" 1
571 2 8 LYS HA 2 11 MET H 4.000 . 4.400 3.292 3.029 3.770 . 0 0 "[ . 1]" 1
572 2 8 LYS HA 2 11 MET QB 6.000 . 6.600 2.653 2.215 3.252 . 0 0 "[ . 1]" 1
573 2 8 LYS HA 2 11 MET QG 6.000 . 6.600 4.080 2.810 4.797 . 0 0 "[ . 1]" 1
574 2 8 LYS QB 2 9 MET H 4.600 . 5.060 2.727 2.345 2.973 . 0 0 "[ . 1]" 1
575 2 8 LYS QD 2 9 MET H 6.000 . 6.600 5.180 4.460 5.623 . 0 0 "[ . 1]" 1
576 2 8 LYS QG 2 9 MET H 6.000 . 6.600 4.226 4.081 4.412 . 0 0 "[ . 1]" 1
577 2 8 LYS QG 2 11 MET QB 7.000 . 7.700 4.012 2.895 4.889 . 0 0 "[ . 1]" 1
578 2 9 MET H 2 9 MET HG2 5.000 . 5.500 4.267 2.798 4.465 . 0 0 "[ . 1]" 1
579 2 9 MET H 2 9 MET HG3 5.000 . 5.500 4.426 3.790 4.536 . 0 0 "[ . 1]" 1
580 2 9 MET H 2 10 GLN H 4.000 . 4.400 2.739 2.546 2.825 . 0 0 "[ . 1]" 1
581 2 9 MET H 2 12 LEU QB 5.000 . 5.500 4.258 4.121 4.581 . 0 0 "[ . 1]" 1
582 2 9 MET H 2 12 LEU QD 7.400 . 8.140 4.699 4.445 5.161 . 0 0 "[ . 1]" 1
583 2 9 MET HA 2 10 GLN H 5.000 . 5.500 3.541 3.504 3.563 . 0 0 "[ . 1]" 1
584 2 9 MET HA 2 11 MET H 5.000 . 5.500 4.616 4.395 4.821 . 0 0 "[ . 1]" 1
585 2 9 MET HA 2 12 LEU H 5.000 . 5.500 3.369 2.931 3.749 . 0 0 "[ . 1]" 1
586 2 9 MET HA 2 12 LEU QB 6.000 . 6.600 2.126 1.717 2.701 . 0 0 "[ . 1]" 1
587 2 9 MET HA 2 12 LEU HG 5.000 . 5.500 4.441 4.060 4.916 . 0 0 "[ . 1]" 1
588 2 9 MET HA 2 13 LYS H 5.000 . 5.500 3.747 3.572 3.861 . 0 0 "[ . 1]" 1
589 2 9 MET QB 2 10 GLN H 5.600 . 6.160 2.582 2.376 3.489 . 0 0 "[ . 1]" 1
590 2 9 MET QB 3 34 MET QG 7.000 . 7.700 4.936 4.060 6.056 . 0 0 "[ . 1]" 1
591 2 9 MET ME 2 10 GLN QE 7.000 . 7.700 5.518 4.822 5.760 . 0 0 "[ . 1]" 1
592 2 9 MET ME 2 13 LYS H 6.000 . 6.600 5.198 4.745 5.384 . 0 0 "[ . 1]" 1
593 2 9 MET ME 3 37 ILE HB 6.000 . 6.600 5.229 4.653 5.609 . 0 0 "[ . 1]" 1
594 2 9 MET QG 2 10 GLN H 6.000 . 6.600 3.453 2.353 3.747 . 0 0 "[ . 1]" 1
595 2 9 MET QG 2 10 GLN HA 6.000 . 6.600 3.539 2.982 3.730 . 0 0 "[ . 1]" 1
596 2 9 MET QG 2 10 GLN HB2 6.000 . 6.600 4.722 3.421 5.091 . 0 0 "[ . 1]" 1
597 2 9 MET QG 2 10 GLN HB3 6.000 . 6.600 5.427 4.296 5.718 . 0 0 "[ . 1]" 1
598 2 9 MET QG 2 13 LYS QB 7.000 . 7.700 3.694 2.963 4.196 . 0 0 "[ . 1]" 1
599 2 9 MET QG 3 34 MET QB 6.000 . 6.600 4.101 3.572 4.911 . 0 0 "[ . 1]" 1
600 2 9 MET QG 3 34 MET ME 7.000 . 7.700 3.312 2.508 4.775 . 0 0 "[ . 1]" 1
601 2 9 MET QG 3 37 ILE MD 7.000 . 7.700 2.907 1.656 5.066 . 0 0 "[ . 1]" 1
602 2 9 MET QG 3 37 ILE MG 7.000 . 7.700 3.995 2.986 4.755 . 0 0 "[ . 1]" 1
603 2 9 MET HG2 2 13 LYS H 5.000 . 5.500 4.059 3.762 5.534 0.034 1 0 "[ . 1]" 1
604 2 9 MET HG3 2 13 LYS H 5.000 . 5.500 4.836 4.165 5.167 . 0 0 "[ . 1]" 1
605 2 10 GLN H 2 10 GLN HB2 4.000 . 4.400 2.509 2.423 2.634 . 0 0 "[ . 1]" 1
606 2 10 GLN H 2 10 GLN HB3 4.000 . 4.400 2.547 2.461 2.621 . 0 0 "[ . 1]" 1
607 2 10 GLN H 2 10 GLN HG2 5.000 . 5.500 4.469 4.431 4.500 . 0 0 "[ . 1]" 1
608 2 10 GLN H 2 10 GLN HG3 5.000 . 5.500 4.437 4.395 4.481 . 0 0 "[ . 1]" 1
609 2 10 GLN H 2 11 MET QB 5.600 . 6.160 4.588 4.332 4.785 . 0 0 "[ . 1]" 1
610 2 10 GLN HA 2 11 MET H 5.000 . 5.500 3.559 3.538 3.577 . 0 0 "[ . 1]" 1
611 2 10 GLN HA 2 12 LEU H 5.000 . 5.500 4.478 4.330 4.726 . 0 0 "[ . 1]" 1
612 2 10 GLN HA 2 13 LYS H 5.000 . 5.500 3.584 3.344 3.799 . 0 0 "[ . 1]" 1
613 2 10 GLN QB 2 11 MET H 4.600 . 5.060 2.369 2.261 2.504 . 0 0 "[ . 1]" 1
614 2 10 GLN QB 2 11 MET HA 5.600 . 6.160 4.169 4.057 4.311 . 0 0 "[ . 1]" 1
615 2 10 GLN QB 2 12 LEU H 5.000 . 5.500 4.592 4.405 4.771 . 0 0 "[ . 1]" 1
616 2 10 GLN QE 2 14 LEU HG 6.000 . 6.600 5.044 4.298 5.740 . 0 0 "[ . 1]" 1
617 2 10 GLN HE21 2 14 LEU QD 7.400 . 8.140 3.939 3.264 4.636 . 0 0 "[ . 1]" 1
618 2 10 GLN HE22 2 14 LEU QD 7.400 . 8.140 4.842 4.256 5.173 . 0 0 "[ . 1]" 1
619 2 10 GLN QG 2 14 LEU QB 7.000 . 7.700 4.146 3.637 4.544 . 0 0 "[ . 1]" 1
620 2 10 GLN HG2 2 11 MET H 5.000 . 5.500 3.577 3.316 3.846 . 0 0 "[ . 1]" 1
621 2 10 GLN HG2 2 13 LYS QB 6.000 . 6.600 5.082 4.574 5.390 . 0 0 "[ . 1]" 1
622 2 10 GLN HG2 2 14 LEU H 5.000 . 5.500 4.757 4.512 5.001 . 0 0 "[ . 1]" 1
623 2 10 GLN HG2 2 14 LEU QD 7.400 . 8.140 2.630 2.385 2.907 . 0 0 "[ . 1]" 1
624 2 10 GLN HG2 2 14 LEU HG 5.000 . 5.500 3.644 2.993 4.651 . 0 0 "[ . 1]" 1
625 2 10 GLN HG3 2 11 MET H 5.000 . 5.500 4.572 4.359 4.737 . 0 0 "[ . 1]" 1
626 2 10 GLN HG3 2 13 LYS QB 6.000 . 6.600 4.583 4.040 5.044 . 0 0 "[ . 1]" 1
627 2 10 GLN HG3 2 14 LEU H 5.000 . 5.500 5.150 4.782 5.518 0.018 3 0 "[ . 1]" 1
628 2 10 GLN HG3 2 14 LEU QD 7.400 . 8.140 3.216 2.555 3.877 . 0 0 "[ . 1]" 1
629 2 10 GLN HG3 2 14 LEU HG 5.000 . 5.500 4.335 3.376 5.520 0.020 5 0 "[ . 1]" 1
630 2 11 MET H 2 11 MET HG2 5.000 . 5.500 3.981 3.337 4.447 . 0 0 "[ . 1]" 1
631 2 11 MET H 2 11 MET HG3 5.000 . 5.500 3.415 2.171 4.517 . 0 0 "[ . 1]" 1
632 2 11 MET H 2 12 LEU H 3.000 . 3.300 2.657 2.563 2.765 . 0 0 "[ . 1]" 1
633 2 11 MET HA 2 14 LEU H 5.000 . 5.500 3.560 3.227 3.849 . 0 0 "[ . 1]" 1
634 2 11 MET QB 2 12 LEU H 4.600 . 5.060 2.530 2.330 2.729 . 0 0 "[ . 1]" 1
635 2 11 MET QG 2 14 LEU QD 8.400 . 9.240 3.829 2.577 5.190 . 0 0 "[ . 1]" 1
636 2 11 MET QG 2 14 LEU HG 6.000 . 6.600 5.109 3.572 5.934 . 0 0 "[ . 1]" 1
637 2 11 MET QG 2 15 ASP H 6.000 . 6.600 5.010 4.017 5.900 . 0 0 "[ . 1]" 1
638 2 12 LEU H 2 12 LEU HG 5.000 . 5.500 4.386 4.265 4.457 . 0 0 "[ . 1]" 1
639 2 12 LEU H 2 13 LYS H 4.000 . 4.400 2.849 2.742 2.953 . 0 0 "[ . 1]" 1
640 2 12 LEU H 2 14 LEU H 4.000 . 4.400 4.150 3.994 4.337 . 0 0 "[ . 1]" 1
641 2 12 LEU H 2 14 LEU QB 6.000 . 6.600 4.978 4.636 5.926 . 0 0 "[ . 1]" 1
642 2 12 LEU HA 2 13 LYS H 4.000 . 4.400 3.570 3.546 3.586 . 0 0 "[ . 1]" 1
643 2 12 LEU HA 2 14 LEU H 5.000 . 5.500 4.501 4.377 4.644 . 0 0 "[ . 1]" 1
644 2 12 LEU HA 2 15 ASP H 5.000 . 5.500 3.543 3.290 3.629 . 0 0 "[ . 1]" 1
645 2 12 LEU HA 2 15 ASP QB 5.000 . 5.500 2.792 2.515 3.089 . 0 0 "[ . 1]" 1
646 2 12 LEU HA 2 16 ASN QD 5.000 . 5.500 3.913 3.625 4.529 . 0 0 "[ . 1]" 1
647 2 12 LEU QB 2 13 LYS H 5.000 . 5.500 2.368 2.234 2.507 . 0 0 "[ . 1]" 1
648 2 12 LEU QD 2 13 LYS H 7.400 . 8.140 3.405 2.815 3.716 . 0 0 "[ . 1]" 1
649 2 12 LEU QD 2 16 ASN QB 8.400 . 9.240 3.854 3.133 4.615 . 0 0 "[ . 1]" 1
650 2 12 LEU QD 2 16 ASN QD 7.400 . 8.140 2.388 2.076 3.197 . 0 0 "[ . 1]" 1
651 2 12 LEU QD 3 34 MET ME 8.400 . 9.240 4.895 3.848 5.578 . 0 0 "[ . 1]" 1
652 2 12 LEU QD 3 37 ILE HB . . 6.600 4.117 2.592 5.000 . 0 0 "[ . 1]" 1
653 2 12 LEU HG 2 16 ASN QB 6.000 . 6.600 4.224 3.606 5.208 . 0 0 "[ . 1]" 1
654 2 13 LYS H 2 13 LYS HG2 5.000 . 5.500 3.295 2.240 4.590 . 0 0 "[ . 1]" 1
655 2 13 LYS H 2 13 LYS HG3 5.000 . 5.500 3.235 2.155 4.499 . 0 0 "[ . 1]" 1
656 2 13 LYS H 2 14 LEU H 4.000 . 4.400 2.679 2.621 2.820 . 0 0 "[ . 1]" 1
657 2 13 LYS H 2 14 LEU HA 5.000 . 5.500 5.280 5.228 5.377 . 0 0 "[ . 1]" 1
658 2 13 LYS H 2 14 LEU QB 5.600 . 6.160 4.610 4.373 5.016 . 0 0 "[ . 1]" 1
659 2 13 LYS H 2 30 VAL HB 4.000 . 4.400 25.815 25.095 26.731 22.331 3 10 [**+-******] 1
660 2 13 LYS HA 2 13 LYS QE 6.000 . 6.600 3.531 1.480 4.416 . 0 0 "[ . 1]" 1
661 2 13 LYS HA 2 14 LEU H 4.000 . 4.400 3.536 3.517 3.551 . 0 0 "[ . 1]" 1
662 2 13 LYS HA 2 16 ASN H 4.000 . 4.400 3.234 3.019 3.653 . 0 0 "[ . 1]" 1
663 2 13 LYS HA 2 16 ASN HB2 5.000 . 5.500 2.348 1.970 2.857 . 0 0 "[ . 1]" 1
664 2 13 LYS HA 2 16 ASN HB3 5.000 . 5.500 3.940 3.575 4.405 . 0 0 "[ . 1]" 1
665 2 13 LYS HA 2 17 TYR H 4.000 . 4.400 3.832 3.711 4.028 . 0 0 "[ . 1]" 1
666 2 13 LYS HA 2 17 TYR QB 6.000 . 6.600 4.898 4.323 5.551 . 0 0 "[ . 1]" 1
667 2 13 LYS HA 2 30 VAL H 4.000 . 4.400 22.567 21.942 23.043 18.643 3 10 [**+-******] 1
668 2 13 LYS QB 2 16 ASN QB 7.000 . 7.700 4.010 3.626 4.748 . 0 0 "[ . 1]" 1
669 2 13 LYS QD 2 14 LEU H 6.000 . 6.600 5.078 4.713 5.581 . 0 0 "[ . 1]" 1
670 2 13 LYS QD 2 17 TYR QD 8.200 . 9.020 5.652 4.446 6.989 . 0 0 "[ . 1]" 1
671 2 13 LYS QE 2 14 LEU QD 8.400 . 9.240 5.073 4.532 5.969 . 0 0 "[ . 1]" 1
672 2 13 LYS QG 2 14 LEU H 6.000 . 6.600 4.115 3.877 4.354 . 0 0 "[ . 1]" 1
673 2 13 LYS QG 2 16 ASN QB 7.000 . 7.700 4.168 3.763 4.806 . 0 0 "[ . 1]" 1
674 2 13 LYS QG 2 17 TYR H 6.000 . 6.600 5.469 4.331 5.999 . 0 0 "[ . 1]" 1
675 2 13 LYS QG 3 37 ILE QG 7.000 . 7.700 5.060 3.747 6.097 . 0 0 "[ . 1]" 1
676 2 13 LYS HG2 2 14 LEU H 5.000 . 5.500 4.718 4.057 5.111 . 0 0 "[ . 1]" 1
677 2 13 LYS HG3 2 14 LEU H 5.000 . 5.500 4.670 4.112 5.163 . 0 0 "[ . 1]" 1
678 2 14 LEU H 2 14 LEU HG 5.000 . 5.500 3.046 2.144 4.136 . 0 0 "[ . 1]" 1
679 2 14 LEU H 2 15 ASP H 4.000 . 4.400 2.640 2.508 2.769 . 0 0 "[ . 1]" 1
680 2 14 LEU H 2 15 ASP HA 5.000 . 5.500 5.261 5.159 5.366 . 0 0 "[ . 1]" 1
681 2 14 LEU H 2 15 ASP HB2 5.000 . 5.500 4.961 4.735 5.103 . 0 0 "[ . 1]" 1
682 2 14 LEU H 2 15 ASP QB 5.600 . 6.160 4.425 4.299 4.528 . 0 0 "[ . 1]" 1
683 2 14 LEU H 2 15 ASP HB3 5.000 . 5.500 4.986 4.825 5.345 . 0 0 "[ . 1]" 1
684 2 14 LEU H 2 16 ASN H . . 4.400 4.103 4.013 4.322 . 0 0 "[ . 1]" 1
685 2 14 LEU H 2 16 ASN QB 6.000 . 6.600 4.881 4.636 5.150 . 0 0 "[ . 1]" 1
686 2 14 LEU HA 2 15 ASP H 5.000 . 5.500 3.529 3.501 3.547 . 0 0 "[ . 1]" 1
687 2 14 LEU HA 2 16 ASN H 5.000 . 5.500 4.505 4.349 4.728 . 0 0 "[ . 1]" 1
688 2 14 LEU HA 2 16 ASN QB 6.000 . 6.600 5.090 4.868 5.455 . 0 0 "[ . 1]" 1
689 2 14 LEU HA 2 17 TYR H 4.000 . 4.400 3.374 3.039 3.746 . 0 0 "[ . 1]" 1
690 2 14 LEU HA 2 17 TYR QB 6.000 . 6.600 2.539 2.156 3.091 . 0 0 "[ . 1]" 1
691 2 14 LEU HA 2 17 TYR QD 7.200 . 7.920 3.108 1.745 4.500 . 0 0 "[ . 1]" 1
692 2 14 LEU HA 2 18 HIS H 5.000 . 5.500 4.115 3.922 4.439 . 0 0 "[ . 1]" 1
693 2 14 LEU QB 2 15 ASP H 5.600 . 6.160 2.714 2.472 3.589 . 0 0 "[ . 1]" 1
694 2 14 LEU QB 2 15 ASP HA 5.600 . 6.160 3.958 3.837 4.541 . 0 0 "[ . 1]" 1
695 2 14 LEU QB 2 16 ASN H 6.000 . 6.600 4.776 4.533 5.223 . 0 0 "[ . 1]" 1
696 2 14 LEU QD 2 15 ASP H 7.400 . 8.140 3.852 2.358 4.107 . 0 0 "[ . 1]" 1
697 2 14 LEU QD 2 15 ASP HA 7.400 . 8.140 4.792 2.661 5.153 . 0 0 "[ . 1]" 1
698 2 14 LEU QD 2 17 TYR H 7.400 . 8.140 4.571 4.206 4.960 . 0 0 "[ . 1]" 1
699 2 14 LEU QD 2 17 TYR QB 8.400 . 9.240 3.359 2.738 4.272 . 0 0 "[ . 1]" 1
700 2 14 LEU QD 2 17 TYR QE 9.600 . 10.560 4.415 2.594 6.588 . 0 0 "[ . 1]" 1
701 2 14 LEU QD 2 18 HIS HD2 7.400 . 8.140 4.895 3.176 5.990 . 0 0 "[ . 1]" 1
702 2 14 LEU HG 2 15 ASP H 5.000 . 5.500 4.540 2.637 5.279 . 0 0 "[ . 1]" 1
703 2 15 ASP H 2 16 ASN HA 4.000 . 4.400 5.242 5.205 5.289 0.889 10 10 [**-******+] 1
704 2 15 ASP H 2 16 ASN QB 5.600 . 6.160 4.505 4.396 4.676 . 0 0 "[ . 1]" 1
705 2 15 ASP H 2 17 TYR H 5.000 . 5.500 3.974 3.692 4.404 . 0 0 "[ . 1]" 1
706 2 15 ASP HA 2 16 ASN H 5.000 . 5.500 3.532 3.512 3.554 . 0 0 "[ . 1]" 1
707 2 15 ASP HA 2 18 HIS H 5.000 . 5.500 3.510 3.271 3.687 . 0 0 "[ . 1]" 1
708 2 15 ASP QB 2 16 ASN QD 5.600 . 6.160 2.694 2.532 3.217 . 0 0 "[ . 1]" 1
709 2 15 ASP HB2 2 16 ASN H 5.000 . 5.500 3.726 3.499 3.846 . 0 0 "[ . 1]" 1
710 2 15 ASP HB2 2 16 ASN QD 5.000 . 5.500 4.317 4.140 4.799 . 0 0 "[ . 1]" 1
711 2 15 ASP HB3 2 16 ASN H 5.000 . 5.500 2.493 2.365 2.668 . 0 0 "[ . 1]" 1
712 2 15 ASP HB3 2 16 ASN QD 5.000 . 5.500 2.723 2.553 3.268 . 0 0 "[ . 1]" 1
713 2 16 ASN H 2 16 ASN QD 5.000 . 5.500 2.274 2.067 2.784 . 0 0 "[ . 1]" 1
714 2 16 ASN H 2 17 TYR H . . 4.400 2.667 2.551 2.789 . 0 0 "[ . 1]" 1
715 2 16 ASN H 2 17 TYR HA 4.000 . 4.400 5.255 5.143 5.368 0.968 3 10 [**+******-] 1
716 2 16 ASN H 2 17 TYR QB 5.600 . 6.160 4.523 4.296 4.710 . 0 0 "[ . 1]" 1
717 2 16 ASN H 2 18 HIS H 4.000 . 4.400 4.308 3.841 4.460 0.060 5 0 "[ . 1]" 1
718 2 16 ASN HA 2 17 TYR H 4.000 . 4.400 3.527 3.466 3.582 . 0 0 "[ . 1]" 1
719 2 16 ASN HA 2 18 HIS H 5.000 . 5.500 4.526 4.311 4.674 . 0 0 "[ . 1]" 1
720 2 16 ASN HA 2 19 LEU H 5.000 . 5.500 3.464 3.030 3.673 . 0 0 "[ . 1]" 1
721 2 16 ASN HA 2 19 LEU QD 7.400 . 8.140 2.841 2.148 4.152 . 0 0 "[ . 1]" 1
722 2 16 ASN HA 2 20 GLU H 5.000 . 5.500 3.826 3.594 3.992 . 0 0 "[ . 1]" 1
723 2 16 ASN QB 2 17 TYR HA 5.600 . 6.160 3.880 3.750 4.000 . 0 0 "[ . 1]" 1
724 2 16 ASN QB 2 17 TYR QB 6.200 . 6.820 4.234 3.817 4.554 . 0 0 "[ . 1]" 1
725 2 16 ASN QB 2 17 TYR QD 7.800 . 8.580 4.540 3.445 5.560 . 0 0 "[ . 1]" 1
726 2 16 ASN QB 2 18 HIS H 5.000 . 5.500 4.853 4.477 4.980 . 0 0 "[ . 1]" 1
727 2 16 ASN HB2 2 17 TYR H 5.000 . 5.500 2.757 2.450 3.060 . 0 0 "[ . 1]" 1
728 2 16 ASN HB3 2 17 TYR H 5.000 . 5.500 3.552 3.253 3.752 . 0 0 "[ . 1]" 1
729 2 16 ASN QD 2 17 TYR H 6.000 . 6.600 4.325 4.208 4.542 . 0 0 "[ . 1]" 1
730 2 17 TYR H 2 18 HIS H . . 3.300 2.769 2.513 2.900 . 0 0 "[ . 1]" 1
731 2 17 TYR H 2 18 HIS HA 5.000 . 5.500 5.326 5.119 5.448 . 0 0 "[ . 1]" 1
732 2 17 TYR H 2 19 LEU H 5.000 . 5.500 4.030 3.783 4.441 . 0 0 "[ . 1]" 1
733 2 17 TYR HA 2 17 TYR QE 6.000 . 6.600 4.356 4.165 4.545 . 0 0 "[ . 1]" 1
734 2 17 TYR HA 2 18 HIS H 5.000 . 5.500 3.576 3.495 3.600 . 0 0 "[ . 1]" 1
735 2 17 TYR HA 2 19 LEU H 5.000 . 5.500 4.288 3.997 4.750 . 0 0 "[ . 1]" 1
736 2 17 TYR HA 2 20 GLU H 5.000 . 5.500 3.460 2.841 3.716 . 0 0 "[ . 1]" 1
737 2 17 TYR HA 2 20 GLU HB2 5.000 . 5.500 3.790 2.390 4.985 . 0 0 "[ . 1]" 1
738 2 17 TYR HA 2 20 GLU HB3 5.000 . 5.500 2.985 2.175 4.306 . 0 0 "[ . 1]" 1
739 2 17 TYR HA 2 20 GLU QG 6.000 . 6.600 3.850 2.026 4.852 . 0 0 "[ . 1]" 1
740 2 17 TYR HA 2 21 ASN H . . 4.400 3.813 3.588 4.295 . 0 0 "[ . 1]" 1
741 2 17 TYR QB 2 18 HIS H 5.600 . 6.160 2.610 2.416 3.012 . 0 0 "[ . 1]" 1
742 2 17 TYR QB 2 18 HIS HA 5.600 . 6.160 3.984 3.781 4.250 . 0 0 "[ . 1]" 1
743 2 17 TYR QD 2 18 HIS H 7.200 . 7.920 4.195 3.478 4.705 . 0 0 "[ . 1]" 1
744 2 18 HIS H 2 18 HIS HB2 4.000 . 4.400 3.477 2.549 3.701 . 0 0 "[ . 1]" 1
745 2 18 HIS H 2 18 HIS HB3 4.000 . 4.400 2.611 2.414 3.661 . 0 0 "[ . 1]" 1
746 2 18 HIS H 2 18 HIS HD2 5.000 . 5.500 3.374 2.965 5.120 . 0 0 "[ . 1]" 1
747 2 18 HIS H 2 19 LEU H 4.000 . 4.400 2.582 2.443 2.868 . 0 0 "[ . 1]" 1
748 2 18 HIS H 2 19 LEU HA 4.000 . 4.400 5.208 5.104 5.419 1.019 3 10 [**+******-] 1
749 2 18 HIS HA 2 18 HIS HD2 5.000 . 5.500 4.479 3.021 4.898 . 0 0 "[ . 1]" 1
750 2 18 HIS HA 2 19 LEU H 5.000 . 5.500 3.483 3.427 3.568 . 0 0 "[ . 1]" 1
751 2 18 HIS HA 2 20 GLU H 5.000 . 5.500 4.612 4.290 5.028 . 0 0 "[ . 1]" 1
752 2 18 HIS HA 2 21 ASN H 5.000 . 5.500 3.518 3.224 4.259 . 0 0 "[ . 1]" 1
753 2 18 HIS HB2 2 19 LEU H 5.000 . 5.500 3.922 2.086 4.315 . 0 0 "[ . 1]" 1
754 2 18 HIS HB3 2 19 LEU H 5.000 . 5.500 3.777 2.354 4.141 . 0 0 "[ . 1]" 1
755 2 18 HIS HE1 2 19 LEU H 5.000 . 5.500 4.951 4.465 5.842 0.342 7 0 "[ . 1]" 1
756 2 19 LEU H 2 19 LEU HB2 4.000 . 4.400 2.396 2.114 2.625 . 0 0 "[ . 1]" 1
757 2 19 LEU H 2 19 LEU HB3 4.000 . 4.400 3.187 2.473 3.600 . 0 0 "[ . 1]" 1
758 2 19 LEU H 2 19 LEU HG 5.000 . 5.500 3.445 2.332 4.497 . 0 0 "[ . 1]" 1
759 2 19 LEU H 2 20 GLU H 4.000 . 4.400 2.672 2.439 2.923 . 0 0 "[ . 1]" 1
760 2 19 LEU H 2 20 GLU HA 4.000 . 4.400 5.273 5.097 5.496 1.096 7 10 [******+*-*] 1
761 2 19 LEU H 2 22 GLU H 5.000 . 5.500 4.562 4.379 4.852 . 0 0 "[ . 1]" 1
762 2 19 LEU HA 2 22 GLU H 4.000 . 4.400 3.527 3.236 3.774 . 0 0 "[ . 1]" 1
763 2 19 LEU HA 2 23 VAL H 5.000 . 5.500 3.973 3.668 4.287 . 0 0 "[ . 1]" 1
764 2 19 LEU HB2 2 20 GLU H 5.000 . 5.500 2.921 2.161 3.808 . 0 0 "[ . 1]" 1
765 2 19 LEU HB3 2 20 GLU H 5.000 . 5.500 2.918 2.453 3.368 . 0 0 "[ . 1]" 1
766 2 19 LEU QD 2 20 GLU H 7.400 . 8.140 3.884 3.583 4.018 . 0 0 "[ . 1]" 1
767 2 19 LEU QD 2 21 ASN H 7.400 . 8.140 5.288 4.982 5.547 . 0 0 "[ . 1]" 1
768 2 19 LEU MD1 2 20 GLU H 6.000 . 6.600 4.309 3.739 4.552 . 0 0 "[ . 1]" 1
769 2 20 GLU H 2 20 GLU HB2 4.000 . 4.400 2.698 2.384 3.614 . 0 0 "[ . 1]" 1
770 2 20 GLU H 2 20 GLU HB3 4.000 . 4.400 2.546 2.453 2.615 . 0 0 "[ . 1]" 1
771 2 20 GLU H 2 20 GLU HG2 5.000 . 5.500 4.149 2.182 4.591 . 0 0 "[ . 1]" 1
772 2 20 GLU H 2 20 GLU HG3 5.000 . 5.500 4.126 2.275 4.475 . 0 0 "[ . 1]" 1
773 2 20 GLU H 2 21 ASN H 4.000 . 4.400 2.720 2.551 2.941 . 0 0 "[ . 1]" 1
774 2 20 GLU H 2 21 ASN HA 4.000 . 4.400 5.314 5.172 5.488 1.088 3 10 [**+******-] 1
775 2 20 GLU H 2 21 ASN QB 5.600 . 6.160 4.493 4.337 4.764 . 0 0 "[ . 1]" 1
776 2 20 GLU HA 2 21 ASN H 4.000 . 4.400 3.526 3.480 3.559 . 0 0 "[ . 1]" 1
777 2 20 GLU HA 2 23 VAL H . . 4.400 3.612 3.376 4.014 . 0 0 "[ . 1]" 1
778 2 20 GLU HA 2 23 VAL HB . . 4.400 3.615 2.492 4.421 0.021 2 0 "[ . 1]" 1
779 2 20 GLU QB 2 21 ASN HA 5.600 . 6.160 4.201 4.036 4.506 . 0 0 "[ . 1]" 1
780 2 20 GLU HB2 2 21 ASN H 5.000 . 5.500 3.850 3.642 4.010 . 0 0 "[ . 1]" 1
781 2 20 GLU HB3 2 21 ASN H 5.000 . 5.500 2.824 2.240 4.066 . 0 0 "[ . 1]" 1
782 2 20 GLU QG 2 24 ALA MB 7.000 . 7.700 3.713 2.994 4.993 . 0 0 "[ . 1]" 1
783 2 20 GLU HG2 2 21 ASN H 5.000 . 5.500 3.977 2.810 4.695 . 0 0 "[ . 1]" 1
784 2 20 GLU HG3 2 21 ASN H 5.000 . 5.500 3.870 2.184 4.951 . 0 0 "[ . 1]" 1
785 2 21 ASN H 2 21 ASN HB2 4.000 . 4.400 2.584 2.370 2.944 . 0 0 "[ . 1]" 1
786 2 21 ASN H 2 21 ASN HB3 4.000 . 4.400 2.595 2.234 3.578 . 0 0 "[ . 1]" 1
787 2 21 ASN H 2 22 GLU H 4.000 . 4.400 2.579 2.383 2.717 . 0 0 "[ . 1]" 1
788 2 21 ASN H 2 22 GLU HA 4.000 . 4.400 5.199 5.032 5.314 0.914 6 10 [****-+****] 1
789 2 21 ASN H 2 22 GLU HB2 5.000 . 5.500 4.785 4.147 5.067 . 0 0 "[ . 1]" 1
790 2 21 ASN H 2 22 GLU HB3 5.000 . 5.500 5.070 4.634 5.764 0.264 5 0 "[ . 1]" 1
791 2 21 ASN H 2 23 VAL H . . 4.400 4.184 3.846 4.423 0.023 2 0 "[ . 1]" 1
792 2 21 ASN HA 2 22 GLU H 5.000 . 5.500 3.526 3.497 3.567 . 0 0 "[ . 1]" 1
793 2 21 ASN HA 2 24 ALA H 4.000 . 4.400 3.467 3.191 3.765 . 0 0 "[ . 1]" 1
794 2 21 ASN HA 2 24 ALA MB 6.000 . 6.600 2.550 2.251 2.994 . 0 0 "[ . 1]" 1
795 2 21 ASN HB2 2 22 GLU H 5.000 . 5.500 3.784 2.855 4.010 . 0 0 "[ . 1]" 1
796 2 21 ASN HB3 2 22 GLU H 5.000 . 5.500 2.718 2.510 3.680 . 0 0 "[ . 1]" 1
797 2 22 GLU H 2 22 GLU HB2 4.000 . 4.400 2.420 2.158 2.616 . 0 0 "[ . 1]" 1
798 2 22 GLU H 2 22 GLU HB3 4.000 . 4.400 2.764 2.474 3.504 . 0 0 "[ . 1]" 1
799 2 22 GLU H 2 23 VAL H 4.000 . 4.400 2.720 2.604 2.874 . 0 0 "[ . 1]" 1
800 2 22 GLU H 2 23 VAL HA . . 4.400 5.307 5.237 5.413 1.013 2 10 [*+*-******] 1
801 2 22 GLU H 2 23 VAL QG 7.400 . 8.140 3.990 3.894 4.113 . 0 0 "[ . 1]" 1
802 2 22 GLU H 2 24 ALA H 4.000 . 4.400 4.036 3.856 4.333 . 0 0 "[ . 1]" 1
803 2 22 GLU HA 2 23 VAL H 4.000 . 4.400 3.558 3.525 3.585 . 0 0 "[ . 1]" 1
804 2 22 GLU HA 2 25 ARG H 5.000 . 5.500 3.526 3.279 3.862 . 0 0 "[ . 1]" 1
805 2 22 GLU HA 2 25 ARG QB 6.000 . 6.600 2.847 2.557 3.366 . 0 0 "[ . 1]" 1
806 2 22 GLU QB 2 23 VAL HA 5.600 . 6.160 4.046 3.694 4.193 . 0 0 "[ . 1]" 1
807 2 22 GLU HB2 2 23 VAL H 5.000 . 5.500 3.550 2.667 3.860 . 0 0 "[ . 1]" 1
808 2 22 GLU HB3 2 23 VAL H 5.000 . 5.500 2.641 2.232 3.474 . 0 0 "[ . 1]" 1
809 2 22 GLU QG 2 23 VAL HA 6.000 . 6.600 4.108 3.280 5.818 . 0 0 "[ . 1]" 1
810 2 22 GLU QG 2 25 ARG QB 7.000 . 7.700 4.055 3.588 4.888 . 0 0 "[ . 1]" 1
811 2 22 GLU QG 2 26 LEU H 6.000 . 6.600 4.571 4.165 5.469 . 0 0 "[ . 1]" 1
812 2 22 GLU QG 2 26 LEU QD 8.400 . 9.240 4.021 2.602 5.294 . 0 0 "[ . 1]" 1
813 2 23 VAL H 2 23 VAL HB 4.000 . 4.400 2.551 2.457 2.600 . 0 0 "[ . 1]" 1
814 2 23 VAL H 2 24 ALA H . . 4.400 2.645 2.514 2.754 . 0 0 "[ . 1]" 1
815 2 23 VAL H 2 24 ALA HA 4.000 . 4.400 5.259 5.147 5.347 0.947 5 10 [****+****-] 1
816 2 23 VAL H 2 24 ALA MB 6.000 . 6.600 4.323 4.236 4.411 . 0 0 "[ . 1]" 1
817 2 23 VAL HA 2 24 ALA H 5.000 . 5.500 3.528 3.491 3.557 . 0 0 "[ . 1]" 1
818 2 23 VAL HA 2 25 ARG H 5.000 . 5.500 4.448 4.165 4.733 . 0 0 "[ . 1]" 1
819 2 23 VAL HA 2 26 LEU H 5.000 . 5.500 3.319 3.069 3.642 . 0 0 "[ . 1]" 1
820 2 23 VAL HA 2 26 LEU QB 5.000 . 5.500 2.513 2.200 2.894 . 0 0 "[ . 1]" 1
821 2 23 VAL HA 2 26 LEU QD 7.400 . 8.140 3.455 2.944 4.111 . 0 0 "[ . 1]" 1
822 2 23 VAL HA 2 26 LEU HG 5.000 . 5.500 4.798 4.118 5.307 . 0 0 "[ . 1]" 1
823 2 23 VAL HA 2 27 LYS H 5.000 . 5.500 3.822 3.589 4.022 . 0 0 "[ . 1]" 1
824 2 23 VAL HA 2 27 LYS QB 6.000 . 6.600 4.933 4.549 5.380 . 0 0 "[ . 1]" 1
825 2 23 VAL HA 2 27 LYS QG 6.000 . 6.600 4.429 3.830 4.850 . 0 0 "[ . 1]" 1
826 2 23 VAL HB 2 24 ALA H 4.000 . 4.400 3.442 2.453 4.075 . 0 0 "[ . 1]" 1
827 2 23 VAL QG 2 24 ALA H . . 6.600 2.624 2.086 3.257 . 0 0 "[ . 1]" 1
828 2 23 VAL QG 2 24 ALA MB 8.400 . 9.240 3.406 2.905 4.032 . 0 0 "[ . 1]" 1
829 2 23 VAL QG 2 26 LEU QB 8.400 . 9.240 3.310 2.960 3.751 . 0 0 "[ . 1]" 1
830 2 23 VAL QG 2 27 LYS H 7.400 . 8.140 3.646 3.392 3.927 . 0 0 "[ . 1]" 1
831 2 23 VAL QG 2 27 LYS HD2 7.400 . 8.140 3.484 2.258 4.302 . 0 0 "[ . 1]" 1
832 2 23 VAL QG 2 27 LYS HD3 7.400 . 8.140 4.099 3.689 4.457 . 0 0 "[ . 1]" 1
833 2 23 VAL QG 2 27 LYS QE 8.400 . 9.240 2.158 1.637 3.860 . 0 0 "[ . 1]" 1
834 2 23 VAL QG 2 27 LYS QG 8.400 . 9.240 3.097 2.202 3.582 . 0 0 "[ . 1]" 1
835 2 24 ALA H 2 25 ARG H 4.000 . 4.400 2.684 2.536 2.780 . 0 0 "[ . 1]" 1
836 2 24 ALA H 2 25 ARG HA 4.000 . 4.400 5.294 5.184 5.365 0.965 2 10 [*+*****-**] 1
837 2 24 ALA H 2 26 LEU H 4.000 . 4.400 4.010 3.796 4.197 . 0 0 "[ . 1]" 1
838 2 24 ALA HA 2 27 LYS H 5.000 . 5.500 3.598 3.364 3.800 . 0 0 "[ . 1]" 1
839 2 24 ALA HA 2 27 LYS QB 6.000 . 6.600 3.626 2.411 4.486 . 0 0 "[ . 1]" 1
840 2 24 ALA HA 2 27 LYS QE 6.000 . 6.600 3.550 1.889 4.990 . 0 0 "[ . 1]" 1
841 2 24 ALA HA 2 27 LYS HG2 5.000 . 5.500 2.895 1.753 5.309 . 0 0 "[ . 1]" 1
842 2 24 ALA HA 2 27 LYS HG3 5.000 . 5.500 3.404 2.938 4.226 . 0 0 "[ . 1]" 1
843 2 24 ALA HA 2 28 LYS H . . 4.400 4.113 3.813 4.354 . 0 0 "[ . 1]" 1
844 2 24 ALA HA 2 28 LYS QB 5.000 . 5.500 4.579 4.373 4.822 . 0 0 "[ . 1]" 1
845 2 24 ALA MB 2 25 ARG H 5.000 . 5.500 2.456 2.288 2.597 . 0 0 "[ . 1]" 1
846 2 24 ALA MB 2 27 LYS QG 7.000 . 7.700 3.941 3.303 5.235 . 0 0 "[ . 1]" 1
847 2 25 ARG H 2 25 ARG HB2 4.000 . 4.400 2.461 2.266 2.610 . 0 0 "[ . 1]" 1
848 2 25 ARG H 2 25 ARG HB3 4.000 . 4.400 3.481 2.532 3.617 . 0 0 "[ . 1]" 1
849 2 25 ARG H 2 25 ARG HD2 5.000 . 5.500 4.391 3.543 4.825 . 0 0 "[ . 1]" 1
850 2 25 ARG H 2 25 ARG HD3 5.000 . 5.500 4.284 3.323 4.910 . 0 0 "[ . 1]" 1
851 2 25 ARG H 2 25 ARG HG2 5.000 . 5.500 2.988 1.979 4.478 . 0 0 "[ . 1]" 1
852 2 25 ARG H 2 25 ARG HG3 5.000 . 5.500 3.191 2.103 4.408 . 0 0 "[ . 1]" 1
853 2 25 ARG H 2 26 LEU H 4.000 . 4.400 2.628 2.535 2.766 . 0 0 "[ . 1]" 1
854 2 25 ARG H 2 26 LEU HA 5.000 . 5.500 5.237 5.150 5.346 . 0 0 "[ . 1]" 1
855 2 25 ARG H 2 26 LEU QB 5.600 . 6.160 4.361 4.237 4.541 . 0 0 "[ . 1]" 1
856 2 25 ARG H 2 27 LYS H 4.000 . 4.400 4.279 4.167 4.434 0.034 1 0 "[ . 1]" 1
857 2 25 ARG HA 2 26 LEU H 5.000 . 5.500 3.520 3.490 3.545 . 0 0 "[ . 1]" 1
858 2 25 ARG HA 2 27 LYS H 5.000 . 5.500 4.649 4.495 4.707 . 0 0 "[ . 1]" 1
859 2 25 ARG HA 2 28 LYS H 5.000 . 5.500 3.594 3.237 3.836 . 0 0 "[ . 1]" 1
860 2 25 ARG HA 2 28 LYS QB 5.000 . 5.500 2.687 2.044 3.161 . 0 0 "[ . 1]" 1
861 2 25 ARG HA 2 28 LYS QE 6.000 . 6.600 4.212 2.822 5.163 . 0 0 "[ . 1]" 1
862 2 25 ARG HA 2 29 LEU H 5.000 . 5.500 4.144 3.994 4.317 . 0 0 "[ . 1]" 1
863 2 25 ARG QB 2 26 LEU HA 5.600 . 6.160 3.841 3.713 4.009 . 0 0 "[ . 1]" 1
864 2 25 ARG QB 2 26 LEU QB 5.200 . 5.720 3.769 3.601 4.093 . 0 0 "[ . 1]" 1
865 2 25 ARG QB 2 28 LYS QB . . 6.600 4.268 3.706 4.664 . 0 0 "[ . 1]" 1
866 2 25 ARG QB 2 29 LEU QB 6.000 . 6.600 4.207 3.854 4.954 . 0 0 "[ . 1]" 1
867 2 25 ARG HB2 2 26 LEU H 5.000 . 5.500 2.756 2.438 3.770 . 0 0 "[ . 1]" 1
868 2 25 ARG HB2 2 26 LEU HA 5.000 . 5.500 4.415 4.121 5.525 0.025 8 0 "[ . 1]" 1
869 2 25 ARG HB2 2 26 LEU QB 5.600 . 6.160 4.089 3.731 5.253 . 0 0 "[ . 1]" 1
870 2 25 ARG HB3 2 26 LEU H 5.000 . 5.500 3.502 2.515 3.823 . 0 0 "[ . 1]" 1
871 2 25 ARG HB3 2 26 LEU HA 5.000 . 5.500 4.303 4.051 4.580 . 0 0 "[ . 1]" 1
872 2 25 ARG HB3 2 26 LEU QB 5.600 . 6.160 4.705 3.788 5.107 . 0 0 "[ . 1]" 1
873 2 25 ARG HG2 2 26 LEU H 5.000 . 5.500 4.543 3.885 5.176 . 0 0 "[ . 1]" 1
874 2 25 ARG HG3 2 26 LEU H 5.000 . 5.500 4.637 4.167 4.983 . 0 0 "[ . 1]" 1
875 2 26 LEU H 2 26 LEU HG 5.000 . 5.500 4.526 4.483 4.573 . 0 0 "[ . 1]" 1
876 2 26 LEU H 2 27 LYS H 4.000 . 4.400 2.688 2.602 2.793 . 0 0 "[ . 1]" 1
877 2 26 LEU H 2 27 LYS HA 4.000 . 4.400 5.280 5.201 5.359 0.959 2 10 [*+*******-] 1
878 2 26 LEU H 2 27 LYS QG 6.000 . 6.600 4.204 3.931 4.790 . 0 0 "[ . 1]" 1
879 2 26 LEU H 2 28 LYS H 4.000 . 4.400 3.945 3.693 4.134 . 0 0 "[ . 1]" 1
880 2 26 LEU H 2 29 LEU QB 6.000 . 6.600 4.642 4.517 4.868 . 0 0 "[ . 1]" 1
881 2 26 LEU HA 2 27 LYS H 5.000 . 5.500 3.569 3.550 3.591 . 0 0 "[ . 1]" 1
882 2 26 LEU HA 2 28 LYS H 5.000 . 5.500 4.253 4.134 4.345 . 0 0 "[ . 1]" 1
883 2 26 LEU HA 2 29 LEU H 5.000 . 5.500 3.305 3.114 3.528 . 0 0 "[ . 1]" 1
884 2 26 LEU HA 2 29 LEU QD 7.400 . 8.140 3.275 3.115 3.520 . 0 0 "[ . 1]" 1
885 2 26 LEU HA 2 30 VAL QG 7.400 . 8.140 4.417 3.493 4.782 . 0 0 "[ . 1]" 1
886 2 26 LEU QB 2 27 LYS H 5.000 . 5.500 2.487 2.335 2.599 . 0 0 "[ . 1]" 1
887 2 26 LEU QB 2 27 LYS QG 6.600 . 7.260 3.940 3.501 4.376 . 0 0 "[ . 1]" 1
888 2 26 LEU QD 2 27 LYS H 7.400 . 8.140 3.822 3.301 4.049 . 0 0 "[ . 1]" 1
889 2 26 LEU QD 2 27 LYS QE 8.400 . 9.240 5.058 4.606 5.724 . 0 0 "[ . 1]" 1
890 2 26 LEU QD 2 28 LYS H 7.400 . 8.140 5.020 4.480 5.249 . 0 0 "[ . 1]" 1
891 2 26 LEU QD 2 29 LEU H 7.400 . 8.140 4.274 3.887 4.683 . 0 0 "[ . 1]" 1
892 2 26 LEU HG 2 27 LYS H 5.000 . 5.500 4.152 3.721 5.008 . 0 0 "[ . 1]" 1
893 2 26 LEU HG 2 29 LEU QD 7.400 . 8.140 4.545 4.121 5.056 . 0 0 "[ . 1]" 1
894 2 26 LEU HG 2 30 VAL HB 5.000 . 5.500 4.487 3.389 5.351 . 0 0 "[ . 1]" 1
895 2 26 LEU HG 2 30 VAL QG 7.400 . 8.140 3.815 2.599 4.800 . 0 0 "[ . 1]" 1
896 2 27 LYS H 2 27 LYS HD2 5.000 . 5.500 4.418 3.868 4.800 . 0 0 "[ . 1]" 1
897 2 27 LYS H 2 27 LYS HD3 5.000 . 5.500 4.676 3.985 4.910 . 0 0 "[ . 1]" 1
898 2 27 LYS H 2 27 LYS HG2 5.000 . 5.500 2.497 2.051 3.850 . 0 0 "[ . 1]" 1
899 2 27 LYS H 2 27 LYS HG3 5.000 . 5.500 3.218 2.543 3.605 . 0 0 "[ . 1]" 1
900 2 27 LYS H 2 28 LYS H 4.000 . 4.400 2.594 2.497 2.746 . 0 0 "[ . 1]" 1
901 2 27 LYS H 2 28 LYS HA 3.000 . 3.300 5.222 5.137 5.341 2.041 7 10 [**-***+***] 1
902 2 27 LYS H 2 28 LYS QB 5.600 . 6.160 4.361 4.242 4.513 . 0 0 "[ . 1]" 1
903 2 27 LYS H 2 29 LEU QB 6.000 . 6.600 4.804 4.669 4.939 . 0 0 "[ . 1]" 1
904 2 27 LYS H 2 30 VAL QG 7.400 . 8.140 4.092 3.837 4.281 . 0 0 "[ . 1]" 1
905 2 27 LYS HA 2 27 LYS QE 6.000 . 6.600 4.258 4.025 4.772 . 0 0 "[ . 1]" 1
906 2 27 LYS HA 2 28 LYS H 5.000 . 5.500 3.491 3.441 3.537 . 0 0 "[ . 1]" 1
907 2 27 LYS HA 2 28 LYS HA 5.000 . 5.500 4.724 4.668 4.814 . 0 0 "[ . 1]" 1
908 2 27 LYS HA 2 30 VAL H 5.000 . 5.500 3.421 3.129 3.713 . 0 0 "[ . 1]" 1
909 2 27 LYS HA 2 30 VAL HB 4.000 . 4.400 4.021 2.703 4.410 0.010 6 0 "[ . 1]" 1
910 2 27 LYS HA 2 30 VAL QG 7.400 . 8.140 2.005 1.617 2.864 . 0 0 "[ . 1]" 1
911 2 27 LYS HA 2 31 GLY QA 6.000 . 6.600 4.884 4.581 5.169 . 0 0 "[ . 1]" 1
912 2 27 LYS QG 2 28 LYS H 6.000 . 6.600 3.012 2.364 4.304 . 0 0 "[ . 1]" 1
913 2 27 LYS QG 2 28 LYS HA 6.000 . 6.600 4.255 3.358 5.802 . 0 0 "[ . 1]" 1
914 2 27 LYS QG 2 30 VAL QG 8.400 . 9.240 4.211 3.464 5.038 . 0 0 "[ . 1]" 1
915 2 28 LYS H 2 28 LYS HA 3.000 . 3.300 2.850 2.817 2.875 . 0 0 "[ . 1]" 1
916 2 28 LYS H 2 28 LYS HB2 3.000 . 3.300 2.507 2.123 2.817 . 0 0 "[ . 1]" 1
917 2 28 LYS H 2 28 LYS QB 3.600 . 3.960 2.226 2.090 2.294 . 0 0 "[ . 1]" 1
918 2 28 LYS H 2 28 LYS HB3 3.000 . 3.300 2.609 2.293 3.127 . 0 0 "[ . 1]" 1
919 2 28 LYS H 2 29 LEU HA 4.000 . 4.400 5.143 5.009 5.237 0.837 6 10 [*-***+****] 1
920 2 28 LYS H 2 29 LEU QB 5.600 . 6.160 4.233 4.122 4.342 . 0 0 "[ . 1]" 1
921 2 28 LYS HA 2 28 LYS QE 6.000 . 6.600 4.104 2.015 5.239 . 0 0 "[ . 1]" 1
922 2 28 LYS HA 2 31 GLY H 4.000 . 4.400 3.443 3.173 3.669 . 0 0 "[ . 1]" 1
923 2 28 LYS HA 2 31 GLY QA . . 5.500 3.533 3.192 4.016 . 0 0 "[ . 1]" 1
924 2 28 LYS HA 2 32 GLU H 5.000 . 5.500 4.078 3.723 4.508 . 0 0 "[ . 1]" 1
925 2 28 LYS HA 2 32 GLU QB 6.000 . 6.600 4.560 4.050 5.754 . 0 0 "[ . 1]" 1
926 2 28 LYS QG 2 29 LEU H 6.000 . 6.600 3.863 3.311 4.487 . 0 0 "[ . 1]" 1
927 2 29 LEU H 2 30 VAL H . . 3.300 2.717 2.465 2.831 . 0 0 "[ . 1]" 1
928 2 29 LEU H 2 30 VAL HA 4.000 . 4.400 5.307 5.119 5.391 0.991 3 10 [*-+*******] 1
929 2 29 LEU H 2 30 VAL QG 7.400 . 8.140 3.909 3.605 4.045 . 0 0 "[ . 1]" 1
930 2 29 LEU H 2 31 GLY H 4.000 . 4.400 3.840 3.632 4.126 . 0 0 "[ . 1]" 1
931 2 29 LEU H 2 32 GLU QB 6.000 . 6.600 4.803 4.372 5.427 . 0 0 "[ . 1]" 1
932 2 29 LEU HA 2 30 VAL H 4.000 . 4.400 3.564 3.525 3.578 . 0 0 "[ . 1]" 1
933 2 29 LEU HA 2 31 GLY H 5.000 . 5.500 4.293 4.107 4.529 . 0 0 "[ . 1]" 1
934 2 29 LEU HA 2 32 GLU QB 6.000 . 6.600 2.930 2.423 3.510 . 0 0 "[ . 1]" 1
935 2 29 LEU QB 2 30 VAL H 5.000 . 5.500 2.438 2.290 2.606 . 0 0 "[ . 1]" 1
936 2 29 LEU QB 2 32 GLU QB 6.000 . 6.600 4.673 4.258 5.246 . 0 0 "[ . 1]" 1
937 2 29 LEU QD 2 30 VAL H 7.400 . 8.140 3.467 3.013 3.968 . 0 0 "[ . 1]" 1
938 2 29 LEU QD 2 33 ARG QD 8.400 . 9.240 3.675 2.121 5.225 . 0 0 "[ . 1]" 1
939 2 29 LEU HG 2 30 VAL H 5.000 . 5.500 4.154 3.522 4.686 . 0 0 "[ . 1]" 1
940 2 29 LEU HG 2 32 GLU QB 6.000 . 6.600 4.589 3.981 5.633 . 0 0 "[ . 1]" 1
941 2 29 LEU HG 2 33 ARG QD 6.000 . 6.600 4.548 3.464 5.480 . 0 0 "[ . 1]" 1
942 2 29 LEU HG 2 33 ARG QG 6.000 . 6.600 4.663 3.286 5.708 . 0 0 "[ . 1]" 1
943 2 30 VAL H 2 30 VAL HB 4.000 . 4.400 2.604 2.532 2.746 . 0 0 "[ . 1]" 1
944 2 30 VAL H 2 31 GLY QA 4.600 . 5.060 4.405 4.285 4.548 . 0 0 "[ . 1]" 1
945 2 30 VAL H 2 31 GLY HA3 4.000 . 4.400 4.792 4.640 4.965 0.565 7 1 "[ . + 1]" 1
946 2 30 VAL H 2 32 GLU H 4.000 . 4.400 3.978 3.669 4.212 . 0 0 "[ . 1]" 1
947 2 30 VAL H 2 32 GLU QB 6.000 . 6.600 4.962 4.477 5.758 . 0 0 "[ . 1]" 1
948 2 30 VAL H 2 33 ARG QD 6.000 . 6.600 4.934 4.321 5.712 . 0 0 "[ . 1]" 1
949 2 30 VAL HA 2 31 GLY H 4.000 . 4.400 3.478 3.444 3.525 . 0 0 "[ . 1]" 1
950 2 30 VAL HA 2 31 GLY QA 5.600 . 6.160 4.417 4.371 4.437 . 0 0 "[ . 1]" 1
951 2 30 VAL HA 2 32 GLU H 5.000 . 5.500 4.032 3.754 4.334 . 0 0 "[ . 1]" 1
952 2 30 VAL HB 2 31 GLY H 4.000 . 4.400 3.945 2.951 4.115 . 0 0 "[ . 1]" 1
953 2 30 VAL QG 2 31 GLY H 7.400 . 8.140 2.471 2.171 3.403 . 0 0 "[ . 1]" 1
954 2 30 VAL QG 2 32 GLU QB 8.400 . 9.240 5.135 4.842 5.916 . 0 0 "[ . 1]" 1
955 2 30 VAL QG 2 33 ARG H 7.400 . 8.140 4.389 4.115 4.948 . 0 0 "[ . 1]" 1
956 2 30 VAL QG 2 33 ARG QD 8.400 . 9.240 2.984 2.288 4.285 . 0 0 "[ . 1]" 1
957 2 31 GLY H 2 32 GLU HA 4.000 . 4.400 5.080 4.912 5.234 0.834 4 10 [***+*-****] 1
958 2 31 GLY HA2 2 32 GLU H 5.000 . 5.500 3.457 3.410 3.534 . 0 0 "[ . 1]" 1
959 2 31 GLY HA2 2 33 ARG H 5.000 . 5.500 4.108 3.512 5.491 . 0 0 "[ . 1]" 1
960 2 31 GLY HA3 2 32 GLU H 5.000 . 5.500 2.986 2.743 3.091 . 0 0 "[ . 1]" 1
961 2 31 GLY HA3 2 33 ARG H 5.000 . 5.500 4.636 4.289 5.362 . 0 0 "[ . 1]" 1
962 2 32 GLU H 2 32 GLU HB2 4.000 . 4.400 2.507 2.222 3.636 . 0 0 "[ . 1]" 1
963 2 32 GLU H 2 32 GLU HB3 4.000 . 4.400 2.737 2.487 3.544 . 0 0 "[ . 1]" 1
964 2 32 GLU H 2 33 ARG HA 4.000 . 4.400 5.087 4.708 5.207 0.807 5 9 [***-+****1] 1
965 2 32 GLU H 2 33 ARG QG 6.000 . 6.600 3.966 3.546 5.402 . 0 0 "[ . 1]" 1
966 2 32 GLU HA 2 33 ARG H 4.000 . 4.400 3.460 3.393 3.564 . 0 0 "[ . 1]" 1
967 2 32 GLU HB2 2 33 ARG H 4.000 . 4.400 3.794 3.248 4.154 . 0 0 "[ . 1]" 1
968 2 32 GLU HB3 2 33 ARG H 4.000 . 4.400 3.011 1.947 4.102 . 0 0 "[ . 1]" 1
969 2 32 GLU QG 2 33 ARG H 6.000 . 6.600 3.878 2.647 4.505 . 0 0 "[ . 1]" 1
970 2 33 ARG H 2 33 ARG HB2 4.000 . 4.400 2.896 2.435 3.666 . 0 0 "[ . 1]" 1
971 2 33 ARG H 2 33 ARG HB3 4.000 . 4.400 3.615 3.129 4.063 . 0 0 "[ . 1]" 1
972 2 33 ARG H 2 33 ARG HD2 5.000 . 5.500 3.814 2.508 4.740 . 0 0 "[ . 1]" 1
973 2 33 ARG H 2 33 ARG HD3 5.000 . 5.500 4.126 2.560 4.857 . 0 0 "[ . 1]" 1
974 3 1 GLY QA 3 3 GLY H 6.000 . 6.600 4.106 3.151 5.781 . 0 0 "[ . 1]" 1
975 3 1 GLY QA 3 6 ILE MD 7.000 . 7.700 4.910 3.025 5.610 . 0 0 "[ . 1]" 1
976 3 2 CYS HA 3 3 GLY H 4.000 . 4.400 3.056 2.225 3.534 . 0 0 "[ . 1]" 1
977 3 2 CYS QB 3 6 ILE HB 6.000 . 6.600 2.779 1.901 3.883 . 0 0 "[ . 1]" 1
978 3 2 CYS QB 3 6 ILE MG 7.000 . 7.700 3.008 2.271 4.208 . 0 0 "[ . 1]" 1
979 3 2 CYS HB2 3 6 ILE HB 5.000 . 5.500 3.436 1.914 5.301 . 0 0 "[ . 1]" 1
980 3 2 CYS HB2 3 6 ILE MD 6.000 . 6.600 4.697 2.236 5.518 . 0 0 "[ . 1]" 1
981 3 2 CYS HB3 3 6 ILE HB 5.000 . 5.500 3.251 1.925 4.355 . 0 0 "[ . 1]" 1
982 3 2 CYS HB3 3 6 ILE MD 6.000 . 6.600 4.534 2.651 5.575 . 0 0 "[ . 1]" 1
983 3 3 GLY H 3 4 LYS H 4.000 . 4.400 3.092 2.063 4.046 . 0 0 "[ . 1]" 1
984 3 3 GLY H 3 4 LYS HA 5.000 . 5.500 4.706 4.072 5.387 . 0 0 "[ . 1]" 1
985 3 3 GLY H 3 4 LYS QB 5.600 . 6.160 4.980 4.155 5.561 . 0 0 "[ . 1]" 1
986 3 3 GLY H 3 6 ILE HB 5.000 . 5.500 4.042 1.730 5.560 0.060 7 0 "[ . 1]" 1
987 3 3 GLY HA2 3 4 LYS H 5.000 . 5.500 3.417 2.885 3.577 . 0 0 "[ . 1]" 1
988 3 4 LYS H 3 4 LYS HB2 4.000 . 4.400 3.293 2.471 4.039 . 0 0 "[ . 1]" 1
989 3 4 LYS H 3 4 LYS HB3 4.000 . 4.400 3.095 2.565 3.880 . 0 0 "[ . 1]" 1
990 3 4 LYS H 3 4 LYS HG2 5.000 . 5.500 4.201 2.834 4.692 . 0 0 "[ . 1]" 1
991 3 4 LYS H 3 4 LYS HG3 5.000 . 5.500 4.319 3.190 4.895 . 0 0 "[ . 1]" 1
992 3 4 LYS H 3 6 ILE HB 4.000 . 4.400 4.187 3.196 4.505 0.105 3 0 "[ . 1]" 1
993 3 4 LYS HA 3 4 LYS QE 6.000 . 6.600 4.271 1.602 5.450 . 0 0 "[ . 1]" 1
994 3 4 LYS QB 3 5 SER H 5.600 . 6.160 2.750 1.743 4.030 . 0 0 "[ . 1]" 1
995 3 4 LYS QG 3 5 SER H 6.000 . 6.600 3.085 1.977 4.039 . 0 0 "[ . 1]" 1
996 3 5 SER HA 3 6 ILE H 4.000 . 4.400 3.424 2.893 3.585 . 0 0 "[ . 1]" 1
997 3 5 SER HA 3 7 ASP H 5.000 . 5.500 4.157 3.391 4.725 . 0 0 "[ . 1]" 1
998 3 5 SER HA 3 9 LEU H 5.000 . 5.500 4.299 4.094 4.626 . 0 0 "[ . 1]" 1
999 3 5 SER QB 3 9 LEU QB 7.000 . 7.700 4.666 3.642 5.346 . 0 0 "[ . 1]" 1
1000 3 5 SER HB2 3 6 ILE H . . 4.400 3.271 2.197 4.098 . 0 0 "[ . 1]" 1
1001 3 5 SER HB3 3 6 ILE H . . 4.400 3.461 2.096 4.473 0.073 7 0 "[ . 1]" 1
1002 3 6 ILE H 3 6 ILE HB 4.000 . 4.400 2.359 2.188 2.550 . 0 0 "[ . 1]" 1
1003 3 6 ILE H 3 9 LEU QB 5.000 . 5.500 4.532 4.338 4.624 . 0 0 "[ . 1]" 1
1004 3 6 ILE HA 3 9 LEU H 4.000 . 4.400 3.170 2.976 3.475 . 0 0 "[ . 1]" 1
1005 3 6 ILE HA 3 9 LEU QB 6.000 . 6.600 2.139 1.986 2.364 . 0 0 "[ . 1]" 1
1006 3 6 ILE HA 3 9 LEU QD 7.400 . 8.140 2.646 1.824 3.266 . 0 0 "[ . 1]" 1
1007 3 6 ILE MD 3 10 GLU H 6.000 . 6.600 4.523 3.822 4.946 . 0 0 "[ . 1]" 1
1008 3 6 ILE MD 4 4 ALA HA 6.000 . 6.600 31.730 29.370 33.097 26.497 2 10 [-+********] 1
1009 3 6 ILE MD 4 7 LYS QB 6.000 . 6.600 30.504 28.217 32.155 25.555 2 10 [-+********] 1
1010 3 6 ILE MD 4 8 LYS QG 7.000 . 7.700 31.798 30.490 32.874 25.174 4 10 [**-+******] 1
1011 3 6 ILE MD 4 11 MET QB 7.000 . 7.700 35.057 32.265 36.331 28.631 8 10 [-******+**] 1
1012 3 6 ILE MG 3 7 ASP H 6.000 . 6.600 3.184 2.389 3.466 . 0 0 "[ . 1]" 1
1013 3 6 ILE MG 3 7 ASP HA 6.000 . 6.600 3.262 3.025 3.412 . 0 0 "[ . 1]" 1
1014 3 6 ILE MG 3 10 GLU H 6.000 . 6.600 3.727 3.341 4.859 . 0 0 "[ . 1]" 1
1015 3 6 ILE MG 3 10 GLU QB 7.000 . 7.700 3.499 2.655 5.199 . 0 0 "[ . 1]" 1
1016 3 6 ILE MG 3 10 GLU HG2 6.000 . 6.600 4.707 3.247 5.435 . 0 0 "[ . 1]" 1
1017 3 6 ILE MG 3 10 GLU HG3 6.000 . 6.600 3.950 2.153 4.924 . 0 0 "[ . 1]" 1
1018 3 7 ASP H 3 8 ASP H 5.000 . 5.500 2.645 2.549 2.805 . 0 0 "[ . 1]" 1
1019 3 7 ASP H 3 9 LEU H 5.000 . 5.500 3.942 3.781 4.140 . 0 0 "[ . 1]" 1
1020 3 7 ASP H 3 9 LEU QB 6.000 . 6.600 4.594 4.486 4.846 . 0 0 "[ . 1]" 1
1021 3 7 ASP HA 3 10 GLU H 5.000 . 5.500 3.454 3.194 3.847 . 0 0 "[ . 1]" 1
1022 3 7 ASP HA 3 10 GLU HB2 5.000 . 5.500 3.341 2.804 4.200 . 0 0 "[ . 1]" 1
1023 3 7 ASP HA 3 10 GLU QB 5.000 . 5.500 2.862 2.277 3.189 . 0 0 "[ . 1]" 1
1024 3 7 ASP HA 3 10 GLU HB3 5.000 . 5.500 3.630 2.371 4.556 . 0 0 "[ . 1]" 1
1025 3 7 ASP QB 3 8 ASP H 5.600 . 6.160 2.504 2.356 2.785 . 0 0 "[ . 1]" 1
1026 3 7 ASP QB 3 8 ASP HA 5.600 . 6.160 4.006 3.927 4.184 . 0 0 "[ . 1]" 1
1027 3 7 ASP QB 3 8 ASP QB 5.200 . 5.720 4.131 3.699 4.436 . 0 0 "[ . 1]" 1
1028 3 8 ASP H 3 9 LEU H 5.000 . 5.500 2.605 2.491 2.730 . 0 0 "[ . 1]" 1
1029 3 8 ASP H 3 10 GLU H 5.000 . 5.500 4.209 3.900 4.359 . 0 0 "[ . 1]" 1
1030 3 8 ASP H 3 11 ASP QB 6.000 . 6.600 4.691 4.410 5.310 . 0 0 "[ . 1]" 1
1031 3 8 ASP HA 3 9 LEU H 5.000 . 5.500 3.518 3.493 3.547 . 0 0 "[ . 1]" 1
1032 3 8 ASP HA 3 11 ASP H 5.000 . 5.500 3.520 3.209 3.993 . 0 0 "[ . 1]" 1
1033 3 8 ASP HA 3 11 ASP HB2 5.000 . 5.500 3.161 2.672 3.891 . 0 0 "[ . 1]" 1
1034 3 8 ASP HA 3 11 ASP HB3 5.000 . 5.500 2.812 2.482 3.775 . 0 0 "[ . 1]" 1
1035 3 8 ASP QB 3 11 ASP QB 6.000 . 6.600 4.223 3.900 4.753 . 0 0 "[ . 1]" 1
1036 3 8 ASP QB 3 12 GLU H 6.000 . 6.600 4.958 4.489 5.418 . 0 0 "[ . 1]" 1
1037 3 8 ASP QB 3 12 GLU QG 7.000 . 7.700 5.262 4.614 6.043 . 0 0 "[ . 1]" 1
1038 3 9 LEU H 3 9 LEU HG 5.000 . 5.500 3.681 2.357 4.458 . 0 0 "[ . 1]" 1
1039 3 9 LEU H 3 10 GLU QB 5.600 . 6.160 4.592 4.418 4.764 . 0 0 "[ . 1]" 1
1040 3 9 LEU H 3 11 ASP H 5.000 . 5.500 4.106 3.862 4.472 . 0 0 "[ . 1]" 1
1041 3 9 LEU HA 3 12 GLU H 4.000 . 4.400 3.655 3.479 3.868 . 0 0 "[ . 1]" 1
1042 3 9 LEU HA 3 12 GLU HB2 5.000 . 5.500 4.705 4.095 5.521 0.021 5 0 "[ . 1]" 1
1043 3 9 LEU HA 3 12 GLU QB 6.000 . 6.600 3.492 2.680 4.504 . 0 0 "[ . 1]" 1
1044 3 9 LEU HA 3 12 GLU HB3 5.000 . 5.500 3.629 2.716 4.774 . 0 0 "[ . 1]" 1
1045 3 9 LEU QB 3 10 GLU H 5.600 . 6.160 2.496 2.317 2.775 . 0 0 "[ . 1]" 1
1046 3 9 LEU QB 3 10 GLU QB 6.200 . 6.820 4.047 3.644 4.627 . 0 0 "[ . 1]" 1
1047 3 9 LEU QB 4 7 LYS QD 8.400 . 9.240 30.490 27.223 33.236 23.996 7 10 [-*****+***] 1
1048 3 9 LEU QD 3 10 GLU H 6.000 . 6.600 3.713 2.949 4.089 . 0 0 "[ . 1]" 1
1049 3 9 LEU QD 3 13 LEU QB 8.400 . 9.240 3.846 2.379 5.074 . 0 0 "[ . 1]" 1
1050 3 9 LEU QD 4 7 LYS QB 8.400 . 9.240 25.091 23.635 26.580 17.340 7 10 [*****-+***] 1
1051 3 9 LEU QD 4 8 LYS QG 7.000 . 7.700 26.212 24.989 26.848 19.148 8 10 [*****-*+**] 1
1052 3 9 LEU QD 4 11 MET HA 7.400 . 8.140 33.571 32.199 34.582 26.442 7 10 [-*****+***] 1
1053 3 9 LEU QD 4 11 MET QB 7.400 . 8.140 29.061 27.446 29.918 21.778 7 10 [-*****+***] 1
1054 3 10 GLU H 3 10 GLU HG2 5.000 . 5.500 3.998 3.357 4.545 . 0 0 "[ . 1]" 1
1055 3 10 GLU H 3 10 GLU HG3 5.000 . 5.500 3.525 2.060 4.473 . 0 0 "[ . 1]" 1
1056 3 10 GLU H 3 11 ASP H 5.000 . 5.500 2.657 2.497 2.842 . 0 0 "[ . 1]" 1
1057 3 10 GLU H 3 12 GLU H 5.000 . 5.500 4.354 4.137 4.518 . 0 0 "[ . 1]" 1
1058 3 10 GLU H 3 13 LEU QB 5.000 . 5.500 4.380 4.200 4.727 . 0 0 "[ . 1]" 1
1059 3 10 GLU HA 3 13 LEU H 5.000 . 5.500 3.431 3.090 3.723 . 0 0 "[ . 1]" 1
1060 3 10 GLU HA 3 13 LEU QB 4.000 . 4.400 2.383 1.860 2.882 . 0 0 "[ . 1]" 1
1061 3 10 GLU HA 3 13 LEU QD 7.400 . 8.140 3.061 2.691 3.541 . 0 0 "[ . 1]" 1
1062 3 10 GLU HA 3 14 TYR H 4.000 . 4.400 3.945 3.409 4.377 . 0 0 "[ . 1]" 1
1063 3 10 GLU QB 3 11 ASP H 4.600 . 5.060 2.553 2.297 2.910 . 0 0 "[ . 1]" 1
1064 3 10 GLU HB2 3 11 ASP H 5.000 . 5.500 3.262 2.339 3.913 . 0 0 "[ . 1]" 1
1065 3 10 GLU HB3 3 11 ASP H 5.000 . 5.500 3.032 2.321 3.605 . 0 0 "[ . 1]" 1
1066 3 10 GLU QG 3 11 ASP H 6.000 . 6.600 3.956 3.521 4.697 . 0 0 "[ . 1]" 1
1067 3 10 GLU QG 3 14 TYR H 6.000 . 6.600 4.900 4.055 5.953 . 0 0 "[ . 1]" 1
1068 3 10 GLU QG 4 7 LYS QD 7.000 . 7.700 30.414 27.625 34.233 26.533 7 10 [-*****+***] 1
1069 3 10 GLU HG2 3 11 ASP H 5.000 . 5.500 4.461 3.644 5.182 . 0 0 "[ . 1]" 1
1070 3 10 GLU HG3 3 11 ASP H 5.000 . 5.500 4.651 4.166 5.374 . 0 0 "[ . 1]" 1
1071 3 11 ASP H 3 11 ASP HB2 4.000 . 4.400 2.421 2.229 2.563 . 0 0 "[ . 1]" 1
1072 3 11 ASP H 3 11 ASP HB3 4.000 . 4.400 2.628 2.524 2.799 . 0 0 "[ . 1]" 1
1073 3 11 ASP H 3 12 GLU H 4.000 . 4.400 2.785 2.704 2.870 . 0 0 "[ . 1]" 1
1074 3 11 ASP H 3 13 LEU H 5.000 . 5.500 3.942 3.660 4.131 . 0 0 "[ . 1]" 1
1075 3 11 ASP H 3 13 LEU QB 6.000 . 6.600 4.609 4.285 4.894 . 0 0 "[ . 1]" 1
1076 3 11 ASP HA 3 12 GLU H 4.000 . 4.400 3.541 3.505 3.571 . 0 0 "[ . 1]" 1
1077 3 11 ASP HA 3 14 TYR H 4.000 . 4.400 3.927 3.649 4.087 . 0 0 "[ . 1]" 1
1078 3 11 ASP QB 3 12 GLU QB 6.200 . 6.820 3.580 3.323 3.768 . 0 0 "[ . 1]" 1
1079 3 11 ASP QB 3 12 GLU QG 6.600 . 7.260 4.643 3.895 5.337 . 0 0 "[ . 1]" 1
1080 3 11 ASP HB2 3 12 GLU H . . 4.400 3.604 3.449 3.849 . 0 0 "[ . 1]" 1
1081 3 11 ASP HB2 3 12 GLU HB3 5.000 . 5.500 5.649 5.551 5.722 0.222 4 0 "[ . 1]" 1
1082 3 11 ASP HB3 3 12 GLU H . . 4.400 2.255 2.066 2.512 . 0 0 "[ . 1]" 1
1083 3 11 ASP HB3 3 12 GLU HB2 5.000 . 5.500 4.570 3.543 5.434 . 0 0 "[ . 1]" 1
1084 3 12 GLU H 3 12 GLU HB2 . . 4.400 3.121 2.532 3.642 . 0 0 "[ . 1]" 1
1085 3 12 GLU H 3 12 GLU HB3 . . 4.400 2.436 2.235 2.597 . 0 0 "[ . 1]" 1
1086 3 12 GLU H 3 13 LEU H 5.000 . 5.500 2.551 2.438 2.681 . 0 0 "[ . 1]" 1
1087 3 12 GLU H 3 13 LEU QB . . 5.060 4.297 4.233 4.403 . 0 0 "[ . 1]" 1
1088 3 12 GLU H 3 16 GLN QG 6.000 . 6.600 5.531 5.293 5.782 . 0 0 "[ . 1]" 1
1089 3 12 GLU HA 3 15 ALA H 4.000 . 4.400 3.141 2.813 3.376 . 0 0 "[ . 1]" 1
1090 3 12 GLU HA 3 15 ALA MB 6.000 . 6.600 2.218 2.003 2.520 . 0 0 "[ . 1]" 1
1091 3 12 GLU QB 3 13 LEU HA 5.600 . 6.160 4.412 4.242 4.584 . 0 0 "[ . 1]" 1
1092 3 12 GLU QB 3 15 ALA MB 7.000 . 7.700 3.611 3.136 4.205 . 0 0 "[ . 1]" 1
1093 3 12 GLU QB 3 16 GLN H 6.000 . 6.600 4.548 4.112 4.913 . 0 0 "[ . 1]" 1
1094 3 12 GLU QB 3 16 GLN QG 7.000 . 7.700 3.729 3.382 4.096 . 0 0 "[ . 1]" 1
1095 3 12 GLU HB2 3 13 LEU H 4.000 . 4.400 4.024 3.950 4.128 . 0 0 "[ . 1]" 1
1096 3 12 GLU HB2 3 16 GLN H 5.000 . 5.500 4.959 4.241 5.587 0.087 9 0 "[ . 1]" 1
1097 3 12 GLU HB3 3 13 LEU H 4.000 . 4.400 3.395 2.634 4.066 . 0 0 "[ . 1]" 1
1098 3 12 GLU HB3 3 16 GLN H 5.000 . 5.500 5.506 5.235 5.676 0.176 6 0 "[ . 1]" 1
1099 3 12 GLU QG 3 13 LEU H 6.000 . 6.600 2.924 2.161 3.801 . 0 0 "[ . 1]" 1
1100 3 12 GLU QG 3 13 LEU HA 6.000 . 6.600 3.407 3.149 3.751 . 0 0 "[ . 1]" 1
1101 3 12 GLU QG 3 15 ALA MB 7.000 . 7.700 4.038 3.428 4.568 . 0 0 "[ . 1]" 1
1102 3 13 LEU H 3 13 LEU HG 5.000 . 5.500 4.438 4.298 4.504 . 0 0 "[ . 1]" 1
1103 3 13 LEU H 3 14 TYR H . . 4.400 2.758 2.571 2.917 . 0 0 "[ . 1]" 1
1104 3 13 LEU HA 3 16 GLN H 5.000 . 5.500 3.474 3.067 3.757 . 0 0 "[ . 1]" 1
1105 3 13 LEU HA 3 16 GLN QB 6.000 . 6.600 2.922 2.267 4.172 . 0 0 "[ . 1]" 1
1106 3 13 LEU HA 3 16 GLN QG 6.000 . 6.600 2.898 2.106 3.741 . 0 0 "[ . 1]" 1
1107 3 13 LEU HA 4 7 LYS QD 7.400 . 8.140 28.582 25.501 31.772 23.632 7 10 [-*****+***] 1
1108 3 13 LEU QB 3 14 TYR H 5.000 . 5.500 2.383 2.160 2.628 . 0 0 "[ . 1]" 1
1109 3 13 LEU QB 3 14 TYR HA 5.600 . 6.160 4.114 4.007 4.262 . 0 0 "[ . 1]" 1
1110 3 13 LEU QB 4 7 LYS QD 7.400 . 8.140 27.165 24.259 30.166 22.026 7 10 [-*****+***] 1
1111 3 13 LEU QD 3 14 TYR H 7.400 . 8.140 3.467 2.965 3.978 . 0 0 "[ . 1]" 1
1112 3 13 LEU QD 3 14 TYR HA 7.400 . 8.140 3.591 2.731 4.435 . 0 0 "[ . 1]" 1
1113 3 13 LEU QD 3 16 GLN QB 8.400 . 9.240 3.645 2.182 5.107 . 0 0 "[ . 1]" 1
1114 3 13 LEU QD 3 16 GLN QG 8.400 . 9.240 4.052 2.888 5.312 . 0 0 "[ . 1]" 1
1115 3 13 LEU QD 3 17 LYS QB 8.400 . 9.240 3.649 2.600 4.732 . 0 0 "[ . 1]" 1
1116 3 13 LEU QD 3 17 LYS QE 8.400 . 9.240 2.614 1.793 3.477 . 0 0 "[ . 1]" 1
1117 3 13 LEU QD 3 17 LYS QG 8.400 . 9.240 3.947 2.549 4.808 . 0 0 "[ . 1]" 1
1118 3 13 LEU QD 4 7 LYS HA 7.400 . 8.140 25.489 23.290 27.511 19.371 7 10 [-*****+***] 1
1119 3 13 LEU QD 4 7 LYS QB 7.400 . 8.140 21.829 19.814 23.709 15.569 7 10 [-*****+***] 1
1120 3 13 LEU QD 4 10 GLN QB 7.400 . 8.140 24.494 22.599 25.963 17.823 7 10 [-*****+***] 1
1121 3 13 LEU QD 4 10 GLN QG 8.400 . 9.240 25.967 24.064 27.405 18.165 7 10 [-*****+***] 1
1122 3 13 LEU QD 4 11 MET HA 7.400 . 8.140 30.159 27.723 31.754 23.614 7 10 [-*****+***] 1
1123 3 13 LEU QD 4 11 MET QB 7.400 . 8.140 25.848 23.311 27.153 19.013 7 10 [-*****+***] 1
1124 3 13 LEU QD 4 14 LEU QB 8.400 . 9.240 28.849 26.764 29.918 20.678 7 10 [-*****+***] 1
1125 3 13 LEU QD 4 14 LEU HG 8.400 . 9.240 31.569 28.929 33.893 24.653 7 10 [-*****+***] 1
1126 3 13 LEU HG 3 14 TYR H 5.000 . 5.500 4.134 3.412 4.844 . 0 0 "[ . 1]" 1
1127 3 13 LEU HG 3 16 GLN QB 6.000 . 6.600 4.475 3.690 5.708 . 0 0 "[ . 1]" 1
1128 3 13 LEU HG 3 17 LYS QB 6.000 . 6.600 4.447 3.459 5.607 . 0 0 "[ . 1]" 1
1129 3 13 LEU HG 3 17 LYS QE 6.000 . 6.600 3.503 1.283 4.723 . 0 0 "[ . 1]" 1
1130 3 14 TYR H 3 15 ALA H 3.000 . 3.300 2.663 2.514 2.766 . 0 0 "[ . 1]" 1
1131 3 14 TYR H 3 15 ALA HA 5.000 . 5.500 5.273 5.141 5.353 . 0 0 "[ . 1]" 1
1132 3 14 TYR H 3 15 ALA MB 6.000 . 6.600 4.329 4.189 4.426 . 0 0 "[ . 1]" 1
1133 3 14 TYR HA 3 14 TYR QE 6.000 . 6.600 4.628 4.019 5.685 . 0 0 "[ . 1]" 1
1134 3 14 TYR HA 3 15 ALA H 4.000 . 4.400 3.528 3.464 3.554 . 0 0 "[ . 1]" 1
1135 3 14 TYR HA 3 16 GLN H 5.000 . 5.500 4.646 4.424 4.820 . 0 0 "[ . 1]" 1
1136 3 14 TYR HA 3 17 LYS H 4.000 . 4.400 3.590 3.197 3.894 . 0 0 "[ . 1]" 1
1137 3 14 TYR HA 3 17 LYS QB 5.000 . 5.500 2.905 2.183 4.884 . 0 0 "[ . 1]" 1
1138 3 14 TYR HA 3 17 LYS QD 6.000 . 6.600 3.312 1.544 5.596 . 0 0 "[ . 1]" 1
1139 3 14 TYR HA 3 17 LYS QE 6.000 . 6.600 4.120 2.236 4.891 . 0 0 "[ . 1]" 1
1140 3 14 TYR HA 3 17 LYS QG 6.000 . 6.600 4.082 2.893 4.878 . 0 0 "[ . 1]" 1
1141 3 14 TYR HA 3 18 LEU H 4.000 . 4.400 4.109 3.650 4.436 0.036 5 0 "[ . 1]" 1
1142 3 14 TYR QB 3 15 ALA H 4.600 . 5.060 2.643 2.396 3.616 . 0 0 "[ . 1]" 1
1143 3 14 TYR QB 3 15 ALA MB 6.600 . 7.260 3.922 3.746 4.809 . 0 0 "[ . 1]" 1
1144 3 14 TYR QD 3 15 ALA H 7.200 . 7.920 3.778 3.283 4.453 . 0 0 "[ . 1]" 1
1145 3 14 TYR QD 3 15 ALA MB 8.200 . 9.020 4.302 3.581 5.436 . 0 0 "[ . 1]" 1
1146 3 14 TYR QD 3 18 LEU QD 9.600 . 10.560 3.499 2.452 4.283 . 0 0 "[ . 1]" 1
1147 3 14 TYR QE 3 18 LEU QD 9.600 . 10.560 3.585 2.447 5.797 . 0 0 "[ . 1]" 1
1148 3 15 ALA H 3 16 GLN H . . 4.400 2.767 2.658 2.859 . 0 0 "[ . 1]" 1
1149 3 15 ALA H 3 17 LYS H 5.000 . 5.500 4.200 3.993 4.741 . 0 0 "[ . 1]" 1
1150 3 15 ALA HA 3 16 GLN H 5.000 . 5.500 3.570 3.555 3.585 . 0 0 "[ . 1]" 1
1151 3 15 ALA HA 3 18 LEU H 4.000 . 4.400 3.495 3.346 3.694 . 0 0 "[ . 1]" 1
1152 3 15 ALA HA 3 18 LEU HB2 5.000 . 5.500 2.884 2.286 3.354 . 0 0 "[ . 1]" 1
1153 3 15 ALA HA 3 18 LEU HB3 5.000 . 5.500 3.780 2.600 4.470 . 0 0 "[ . 1]" 1
1154 3 15 ALA HA 3 18 LEU QD 7.400 . 8.140 3.125 2.444 3.719 . 0 0 "[ . 1]" 1
1155 3 15 ALA HA 3 19 LYS H 4.000 . 4.400 3.996 3.696 4.186 . 0 0 "[ . 1]" 1
1156 3 15 ALA HA 3 19 LYS QG 6.000 . 6.600 3.804 3.412 4.017 . 0 0 "[ . 1]" 1
1157 3 15 ALA MB 3 16 GLN H 6.000 . 6.600 2.386 2.147 2.527 . 0 0 "[ . 1]" 1
1158 3 15 ALA MB 3 16 GLN HA 6.000 . 6.600 3.825 3.760 3.892 . 0 0 "[ . 1]" 1
1159 3 15 ALA MB 3 16 GLN QG 7.000 . 7.700 3.421 3.074 3.783 . 0 0 "[ . 1]" 1
1160 3 16 GLN H 3 16 GLN HG2 5.000 . 5.500 2.340 2.097 3.143 . 0 0 "[ . 1]" 1
1161 3 16 GLN H 3 16 GLN HG3 5.000 . 5.500 3.509 1.942 3.733 . 0 0 "[ . 1]" 1
1162 3 16 GLN H 3 17 LYS QB 5.600 . 6.160 4.656 4.367 5.422 . 0 0 "[ . 1]" 1
1163 3 16 GLN H 3 18 LEU H . . 4.400 4.210 4.063 4.355 . 0 0 "[ . 1]" 1
1164 3 16 GLN H 3 19 LYS QG 6.000 . 6.600 4.605 4.340 4.865 . 0 0 "[ . 1]" 1
1165 3 16 GLN HA 3 17 LYS H 5.000 . 5.500 3.547 3.503 3.598 . 0 0 "[ . 1]" 1
1166 3 16 GLN HA 3 18 LEU H 5.000 . 5.500 4.445 4.248 4.599 . 0 0 "[ . 1]" 1
1167 3 16 GLN HA 3 19 LYS H 4.000 . 4.400 3.464 3.080 4.004 . 0 0 "[ . 1]" 1
1168 3 16 GLN HA 3 19 LYS QB 5.000 . 5.500 2.647 2.146 3.470 . 0 0 "[ . 1]" 1
1169 3 16 GLN HA 3 19 LYS QD 6.000 . 6.600 4.478 2.759 5.943 . 0 0 "[ . 1]" 1
1170 3 16 GLN HA 3 19 LYS HG2 5.000 . 5.500 4.084 3.170 5.016 . 0 0 "[ . 1]" 1
1171 3 16 GLN HA 3 19 LYS HG3 5.000 . 5.500 3.558 2.830 4.539 . 0 0 "[ . 1]" 1
1172 3 16 GLN QB 3 17 LYS H 5.600 . 6.160 2.576 2.152 3.544 . 0 0 "[ . 1]" 1
1173 3 16 GLN QB 4 14 LEU HG 7.000 . 7.700 33.642 31.580 35.447 27.747 7 10 [-*****+***] 1
1174 3 16 GLN QG 4 14 LEU QB 7.000 . 7.700 31.986 30.881 32.976 25.276 5 10 [-***+*****] 1
1175 3 17 LYS H 3 17 LYS HB2 . . 4.400 2.559 2.170 3.700 . 0 0 "[ . 1]" 1
1176 3 17 LYS H 3 17 LYS HB3 . . 4.400 2.961 2.467 3.591 . 0 0 "[ . 1]" 1
1177 3 17 LYS H 3 17 LYS HG2 5.000 . 5.500 4.102 3.006 4.627 . 0 0 "[ . 1]" 1
1178 3 17 LYS H 3 17 LYS HG3 5.000 . 5.500 3.857 2.139 4.503 . 0 0 "[ . 1]" 1
1179 3 17 LYS H 3 18 LEU H . . 4.400 2.666 2.491 2.867 . 0 0 "[ . 1]" 1
1180 3 17 LYS HA 3 18 LEU H 5.000 . 5.500 3.525 3.458 3.549 . 0 0 "[ . 1]" 1
1181 3 17 LYS HA 3 19 LYS H 5.000 . 5.500 4.462 4.253 4.628 . 0 0 "[ . 1]" 1
1182 3 17 LYS HA 3 20 TYR H 4.000 . 4.400 3.405 2.983 3.873 . 0 0 "[ . 1]" 1
1183 3 17 LYS HA 3 20 TYR HB2 5.000 . 5.500 3.313 2.636 3.897 . 0 0 "[ . 1]" 1
1184 3 17 LYS HA 3 20 TYR HB3 5.000 . 5.500 2.621 2.090 3.423 . 0 0 "[ . 1]" 1
1185 3 17 LYS HA 3 20 TYR QD 7.200 . 7.920 4.083 3.799 5.016 . 0 0 "[ . 1]" 1
1186 3 17 LYS HA 3 20 TYR QE 7.200 . 7.920 6.046 5.700 6.855 . 0 0 "[ . 1]" 1
1187 3 17 LYS QB 3 18 LEU H 4.600 . 5.060 2.682 2.406 3.723 . 0 0 "[ . 1]" 1
1188 3 17 LYS QB 3 18 LEU HA 5.600 . 6.160 4.080 3.679 4.588 . 0 0 "[ . 1]" 1
1189 3 17 LYS QB 3 20 TYR QD 8.200 . 9.020 5.226 3.968 6.344 . 0 0 "[ . 1]" 1
1190 3 17 LYS HB2 3 18 LEU QD 7.400 . 8.140 4.712 3.822 6.055 . 0 0 "[ . 1]" 1
1191 3 17 LYS HB3 3 18 LEU QD 7.400 . 8.140 4.110 2.884 5.742 . 0 0 "[ . 1]" 1
1192 3 17 LYS QG 3 18 LEU HA 6.000 . 6.600 4.512 3.549 5.835 . 0 0 "[ . 1]" 1
1193 3 17 LYS QG 3 20 TYR QB 7.000 . 7.700 4.002 3.325 4.724 . 0 0 "[ . 1]" 1
1194 3 17 LYS QG 3 21 LYS QB 7.000 . 7.700 4.617 3.708 5.790 . 0 0 "[ . 1]" 1
1195 3 18 LEU H 3 18 LEU HB2 4.000 . 4.400 2.341 2.143 2.546 . 0 0 "[ . 1]" 1
1196 3 18 LEU H 3 18 LEU HB3 4.000 . 4.400 3.262 2.582 3.603 . 0 0 "[ . 1]" 1
1197 3 18 LEU H 3 18 LEU HG 5.000 . 5.500 3.532 2.222 4.522 . 0 0 "[ . 1]" 1
1198 3 18 LEU H 3 19 LYS QG 6.000 . 6.600 4.382 4.181 4.498 . 0 0 "[ . 1]" 1
1199 3 18 LEU H 3 20 TYR H . . 4.400 4.020 3.844 4.296 . 0 0 "[ . 1]" 1
1200 3 18 LEU HA 3 19 LYS H 4.000 . 4.400 3.543 3.515 3.558 . 0 0 "[ . 1]" 1
1201 3 18 LEU HA 3 21 LYS QB 6.000 . 6.600 2.753 2.311 3.175 . 0 0 "[ . 1]" 1
1202 3 18 LEU HA 3 21 LYS QD 6.000 . 6.600 3.947 3.193 5.722 . 0 0 "[ . 1]" 1
1203 3 18 LEU QD 3 19 LYS H 7.400 . 8.140 3.959 3.298 4.083 . 0 0 "[ . 1]" 1
1204 3 18 LEU QD 3 21 LYS H 7.400 . 8.140 4.606 4.182 5.066 . 0 0 "[ . 1]" 1
1205 3 18 LEU QD 3 21 LYS QB 8.400 . 9.240 3.389 2.606 4.073 . 0 0 "[ . 1]" 1
1206 3 18 LEU QD 3 21 LYS QE 8.400 . 9.240 4.528 3.130 5.697 . 0 0 "[ . 1]" 1
1207 3 18 LEU QD 3 22 ALA MB 8.400 . 9.240 4.151 2.673 5.008 . 0 0 "[ . 1]" 1
1208 3 19 LYS H 3 19 LYS HA 3.000 . 3.300 2.832 2.807 2.855 . 0 0 "[ . 1]" 1
1209 3 19 LYS H 3 19 LYS QB 3.600 . 3.960 2.417 2.329 2.498 . 0 0 "[ . 1]" 1
1210 3 19 LYS H 3 19 LYS QE 6.000 . 6.600 3.888 2.932 4.755 . 0 0 "[ . 1]" 1
1211 3 19 LYS H 3 19 LYS HG2 5.000 . 5.500 2.691 2.243 3.697 . 0 0 "[ . 1]" 1
1212 3 19 LYS H 3 19 LYS HG3 5.000 . 5.500 3.251 2.209 3.728 . 0 0 "[ . 1]" 1
1213 3 19 LYS H 3 20 TYR H . . 4.400 2.614 2.520 2.734 . 0 0 "[ . 1]" 1
1214 3 19 LYS HA 3 20 TYR H 4.000 . 4.400 3.528 3.492 3.547 . 0 0 "[ . 1]" 1
1215 3 19 LYS HA 3 22 ALA H 4.000 . 4.400 3.234 2.971 3.387 . 0 0 "[ . 1]" 1
1216 3 19 LYS HA 3 22 ALA MB 6.000 . 6.600 2.307 2.021 2.705 . 0 0 "[ . 1]" 1
1217 3 19 LYS HA 3 23 ILE H 4.000 . 4.400 3.824 3.642 4.085 . 0 0 "[ . 1]" 1
1218 3 19 LYS QB 3 20 TYR H 4.600 . 5.060 2.610 2.474 2.824 . 0 0 "[ . 1]" 1
1219 3 19 LYS QB 3 20 TYR HA 5.600 . 6.160 3.916 3.827 4.014 . 0 0 "[ . 1]" 1
1220 3 19 LYS QB 3 22 ALA H 6.000 . 6.600 4.712 4.536 4.831 . 0 0 "[ . 1]" 1
1221 3 19 LYS QB 3 22 ALA MB 7.000 . 7.700 3.824 3.393 4.111 . 0 0 "[ . 1]" 1
1222 3 19 LYS QB 3 23 ILE H 5.000 . 5.500 4.446 4.262 4.685 . 0 0 "[ . 1]" 1
1223 3 19 LYS QB 3 23 ILE MG 7.000 . 7.700 4.091 3.948 4.384 . 0 0 "[ . 1]" 1
1224 3 19 LYS QG 3 20 TYR H 6.000 . 6.600 4.101 3.958 4.282 . 0 0 "[ . 1]" 1
1225 3 19 LYS HG2 3 20 TYR H 5.000 . 5.500 4.578 4.241 5.137 . 0 0 "[ . 1]" 1
1226 3 19 LYS HG3 3 20 TYR H 5.000 . 5.500 4.747 4.282 5.002 . 0 0 "[ . 1]" 1
1227 3 20 TYR H 3 22 ALA H 4.000 . 4.400 4.012 3.805 4.186 . 0 0 "[ . 1]" 1
1228 3 20 TYR H 3 22 ALA MB 6.000 . 6.600 4.647 4.412 4.878 . 0 0 "[ . 1]" 1
1229 3 20 TYR HA 3 20 TYR QE 6.000 . 6.600 4.584 4.433 4.657 . 0 0 "[ . 1]" 1
1230 3 20 TYR HA 3 23 ILE H 5.000 . 5.500 3.596 3.345 3.829 . 0 0 "[ . 1]" 1
1231 3 20 TYR HA 3 23 ILE HB 5.000 . 5.500 4.123 3.811 4.376 . 0 0 "[ . 1]" 1
1232 3 20 TYR HA 3 23 ILE MG 6.000 . 6.600 2.048 1.752 2.457 . 0 0 "[ . 1]" 1
1233 3 20 TYR QB 3 21 LYS H 4.600 . 5.060 2.520 2.395 2.612 . 0 0 "[ . 1]" 1
1234 3 20 TYR QD 3 21 LYS H 7.200 . 7.920 3.606 3.348 3.910 . 0 0 "[ . 1]" 1
1235 3 20 TYR QD 3 21 LYS HA 7.200 . 7.920 3.757 3.463 4.210 . 0 0 "[ . 1]" 1
1236 3 20 TYR QD 3 23 ILE HB 7.200 . 7.920 5.861 5.102 6.348 . 0 0 "[ . 1]" 1
1237 3 20 TYR QD 3 23 ILE MD 8.200 . 9.020 4.976 4.048 6.034 . 0 0 "[ . 1]" 1
1238 3 20 TYR QE 3 21 LYS QG 8.200 . 9.020 6.350 5.569 6.980 . 0 0 "[ . 1]" 1
1239 3 20 TYR QE 4 17 TYR QB 8.200 . 9.020 27.849 26.345 29.079 20.059 5 10 [-***+*****] 1
1240 3 21 LYS H 3 21 LYS HG2 5.000 . 5.500 4.461 4.393 4.661 . 0 0 "[ . 1]" 1
1241 3 21 LYS H 3 21 LYS HG3 5.000 . 5.500 4.476 4.403 4.530 . 0 0 "[ . 1]" 1
1242 3 21 LYS H 3 22 ALA H 5.000 . 5.500 2.623 2.486 2.729 . 0 0 "[ . 1]" 1
1243 3 21 LYS H 3 22 ALA MB 6.000 . 6.600 4.289 4.171 4.375 . 0 0 "[ . 1]" 1
1244 3 21 LYS H 3 23 ILE H 4.000 . 4.400 4.285 4.184 4.366 . 0 0 "[ . 1]" 1
1245 3 21 LYS HA 3 21 LYS QE 6.000 . 6.600 4.710 4.048 5.139 . 0 0 "[ . 1]" 1
1246 3 21 LYS HA 3 22 ALA H 4.000 . 4.400 3.531 3.509 3.551 . 0 0 "[ . 1]" 1
1247 3 21 LYS HA 3 24 SER QB 6.000 . 6.600 3.130 2.609 4.018 . 0 0 "[ . 1]" 1
1248 3 21 LYS HA 3 25 GLU H 5.000 . 5.500 3.886 3.601 4.111 . 0 0 "[ . 1]" 1
1249 3 21 LYS HA 3 25 GLU QB 5.000 . 5.500 4.425 4.112 4.668 . 0 0 "[ . 1]" 1
1250 3 21 LYS QB 3 22 ALA H 4.600 . 5.060 2.541 2.401 2.774 . 0 0 "[ . 1]" 1
1251 3 21 LYS QB 3 22 ALA HA 5.600 . 6.160 4.100 3.964 4.276 . 0 0 "[ . 1]" 1
1252 3 21 LYS QB 3 22 ALA MB 6.600 . 7.260 3.837 3.716 4.104 . 0 0 "[ . 1]" 1
1253 3 21 LYS QB 3 24 SER QB 7.000 . 7.700 4.888 4.457 5.652 . 0 0 "[ . 1]" 1
1254 3 21 LYS QD 3 22 ALA H 6.000 . 6.600 4.490 4.156 5.115 . 0 0 "[ . 1]" 1
1255 3 21 LYS QE 3 25 GLU QB 7.000 . 7.700 3.954 2.217 4.735 . 0 0 "[ . 1]" 1
1256 3 21 LYS QE 3 25 GLU QG 7.000 . 7.700 4.704 3.541 5.804 . 0 0 "[ . 1]" 1
1257 3 21 LYS QG 3 22 ALA H 6.000 . 6.600 3.584 3.360 3.854 . 0 0 "[ . 1]" 1
1258 3 21 LYS QG 3 25 GLU QB 7.000 . 7.700 3.148 2.900 3.468 . 0 0 "[ . 1]" 1
1259 3 21 LYS HG2 3 25 GLU H 5.000 . 5.500 4.452 3.978 5.558 0.058 4 0 "[ . 1]" 1
1260 3 21 LYS HG3 3 25 GLU H 5.000 . 5.500 4.819 4.139 5.195 . 0 0 "[ . 1]" 1
1261 3 22 ALA H 3 23 ILE H 4.000 . 4.400 2.774 2.666 2.838 . 0 0 "[ . 1]" 1
1262 3 22 ALA H 3 23 ILE MG 6.000 . 6.600 4.058 3.876 4.252 . 0 0 "[ . 1]" 1
1263 3 22 ALA H 3 24 SER H 4.000 . 4.400 4.179 4.073 4.322 . 0 0 "[ . 1]" 1
1264 3 22 ALA H 3 25 GLU H 5.000 . 5.500 4.717 4.593 4.922 . 0 0 "[ . 1]" 1
1265 3 22 ALA HA 3 23 ILE H 4.000 . 4.400 3.566 3.557 3.574 . 0 0 "[ . 1]" 1
1266 3 22 ALA HA 3 25 GLU HB2 5.000 . 5.500 3.676 3.099 4.203 . 0 0 "[ . 1]" 1
1267 3 22 ALA HA 3 25 GLU HB3 5.000 . 5.500 2.840 2.586 3.130 . 0 0 "[ . 1]" 1
1268 3 22 ALA HA 3 26 GLU H 5.000 . 5.500 3.995 3.827 4.141 . 0 0 "[ . 1]" 1
1269 3 22 ALA HA 3 26 GLU QB 6.000 . 6.600 4.449 4.262 4.746 . 0 0 "[ . 1]" 1
1270 3 22 ALA MB 3 23 ILE H 6.000 . 6.600 2.461 2.354 2.549 . 0 0 "[ . 1]" 1
1271 3 22 ALA MB 3 23 ILE HA 6.000 . 6.600 3.773 3.734 3.822 . 0 0 "[ . 1]" 1
1272 3 22 ALA MB 3 23 ILE HB 6.000 . 6.600 3.880 3.750 3.970 . 0 0 "[ . 1]" 1
1273 3 22 ALA MB 3 23 ILE MG 7.000 . 7.700 3.966 3.746 4.086 . 0 0 "[ . 1]" 1
1274 3 22 ALA MB 3 24 SER H 6.000 . 6.600 4.498 4.433 4.597 . 0 0 "[ . 1]" 1
1275 3 22 ALA MB 3 26 GLU QB 7.000 . 7.700 4.002 3.771 4.184 . 0 0 "[ . 1]" 1
1276 3 23 ILE H 3 23 ILE HB 4.000 . 4.400 2.555 2.417 2.676 . 0 0 "[ . 1]" 1
1277 3 23 ILE H 3 24 SER H . . 3.300 2.621 2.562 2.712 . 0 0 "[ . 1]" 1
1278 3 23 ILE H 3 24 SER QB 5.600 . 6.160 4.657 4.365 5.035 . 0 0 "[ . 1]" 1
1279 3 23 ILE HA 3 26 GLU HB2 5.000 . 5.500 3.211 2.682 4.276 . 0 0 "[ . 1]" 1
1280 3 23 ILE HA 3 26 GLU HB3 5.000 . 5.500 2.415 2.067 2.735 . 0 0 "[ . 1]" 1
1281 3 23 ILE HA 3 26 GLU HG2 5.000 . 5.500 3.890 2.483 5.065 . 0 0 "[ . 1]" 1
1282 3 23 ILE HA 3 26 GLU QG 6.000 . 6.600 3.666 2.427 4.611 . 0 0 "[ . 1]" 1
1283 3 23 ILE HA 3 26 GLU HG3 5.000 . 5.500 4.540 3.419 5.305 . 0 0 "[ . 1]" 1
1284 3 23 ILE HB 3 24 SER H 4.000 . 4.400 3.964 3.876 4.049 . 0 0 "[ . 1]" 1
1285 3 23 ILE HB 4 21 ASN QD 6.000 . 6.600 35.518 33.239 37.209 30.609 9 10 [-*******+*] 1
1286 3 23 ILE HB 4 25 ARG QD 7.400 . 8.140 39.759 38.811 41.131 32.991 6 10 [***-*+****] 1
1287 3 23 ILE MD 3 24 SER H 6.000 . 6.600 4.233 3.492 4.691 . 0 0 "[ . 1]" 1
1288 3 23 ILE MD 3 24 SER QB 6.600 . 7.260 4.916 3.842 5.252 . 0 0 "[ . 1]" 1
1289 3 23 ILE MD 3 26 GLU QB 7.000 . 7.700 4.375 3.159 5.360 . 0 0 "[ . 1]" 1
1290 3 23 ILE MD 3 26 GLU QG 7.000 . 7.700 4.886 3.718 5.622 . 0 0 "[ . 1]" 1
1291 3 23 ILE MD 3 27 LEU H 6.000 . 6.600 4.550 3.017 5.556 . 0 0 "[ . 1]" 1
1292 3 23 ILE MD 4 22 GLU QB 7.000 . 7.700 27.582 26.143 29.222 21.522 9 10 [*******-+*] 1
1293 3 23 ILE MD 4 25 ARG QD 8.400 . 9.240 31.330 30.141 33.016 23.776 6 10 [*****+*-**] 1
1294 3 23 ILE QG 3 24 SER H 5.000 . 5.500 4.050 3.674 4.511 . 0 0 "[ . 1]" 1
1295 3 23 ILE QG 3 26 GLU QB 7.000 . 7.700 3.434 3.083 3.987 . 0 0 "[ . 1]" 1
1296 3 23 ILE QG 3 26 GLU QG 7.000 . 7.700 3.971 2.553 5.216 . 0 0 "[ . 1]" 1
1297 3 23 ILE QG 3 27 LEU H 6.000 . 6.600 4.057 3.621 4.534 . 0 0 "[ . 1]" 1
1298 3 23 ILE QG 4 21 ASN QD 6.000 . 6.600 29.757 27.988 31.196 24.596 9 10 [-*******+*] 1
1299 3 23 ILE QG 4 25 ARG QD 8.400 . 9.240 33.560 32.603 34.614 25.374 6 10 [***-*+****] 1
1300 3 23 ILE MG 3 24 SER H 6.000 . 6.600 2.180 2.129 2.256 . 0 0 "[ . 1]" 1
1301 3 23 ILE MG 3 24 SER QB 6.600 . 7.260 3.284 2.939 3.827 . 0 0 "[ . 1]" 1
1302 3 23 ILE MG 4 18 HIS HD1 8.200 . 9.020 25.744 25.461 26.266 17.246 9 10 [******-*+*] 1
1303 3 23 ILE MG 4 21 ASN QD 7.000 . 7.700 29.565 27.209 31.278 23.578 9 10 [-*******+*] 1
1304 3 24 SER H 3 26 GLU H 4.000 . 4.400 3.937 3.789 4.106 . 0 0 "[ . 1]" 1
1305 3 24 SER H 3 26 GLU QB 6.000 . 6.600 4.665 4.327 5.193 . 0 0 "[ . 1]" 1
1306 3 24 SER HA 3 25 GLU H 4.000 . 4.400 3.539 3.504 3.555 . 0 0 "[ . 1]" 1
1307 3 24 SER QB 3 25 GLU QB 6.200 . 6.820 4.108 3.718 4.675 . 0 0 "[ . 1]" 1
1308 3 24 SER QB 4 21 ASN QD 7.000 . 7.700 31.241 27.672 33.276 25.576 9 10 [-*******+*] 1
1309 3 25 GLU H 3 26 GLU H 5.000 . 5.500 2.641 2.549 2.733 . 0 0 "[ . 1]" 1
1310 3 25 GLU H 3 26 GLU QB 5.600 . 6.160 4.363 4.227 4.531 . 0 0 "[ . 1]" 1
1311 3 25 GLU HA 3 26 GLU H 5.000 . 5.500 3.523 3.495 3.546 . 0 0 "[ . 1]" 1
1312 3 25 GLU HA 3 27 LEU H 5.000 . 5.500 4.741 4.466 4.893 . 0 0 "[ . 1]" 1
1313 3 25 GLU HA 3 28 ASP H . . 4.400 3.831 3.585 4.101 . 0 0 "[ . 1]" 1
1314 3 25 GLU HA 3 28 ASP HB2 4.000 . 4.400 3.982 3.244 4.423 0.023 7 0 "[ . 1]" 1
1315 3 25 GLU HA 3 28 ASP QB 5.000 . 5.500 2.944 2.475 3.415 . 0 0 "[ . 1]" 1
1316 3 25 GLU HA 3 28 ASP HB3 4.000 . 4.400 3.037 2.536 3.554 . 0 0 "[ . 1]" 1
1317 3 25 GLU HA 3 29 HIS H 5.000 . 5.500 4.006 3.801 4.380 . 0 0 "[ . 1]" 1
1318 3 25 GLU QB 3 26 GLU HA 5.600 . 6.160 4.037 3.887 4.089 . 0 0 "[ . 1]" 1
1319 3 25 GLU QB 3 27 LEU H 6.000 . 6.600 4.911 4.700 5.099 . 0 0 "[ . 1]" 1
1320 3 25 GLU QB 3 28 ASP QB 7.000 . 7.700 4.727 4.292 5.139 . 0 0 "[ . 1]" 1
1321 3 25 GLU HB2 3 26 GLU H 5.000 . 5.500 3.778 3.658 3.872 . 0 0 "[ . 1]" 1
1322 3 25 GLU HB3 3 26 GLU H 5.000 . 5.500 2.525 2.410 2.647 . 0 0 "[ . 1]" 1
1323 3 25 GLU QG 3 26 GLU H 6.000 . 6.600 3.669 3.423 4.021 . 0 0 "[ . 1]" 1
1324 3 25 GLU QG 3 26 GLU HA 6.000 . 6.600 3.741 3.407 4.308 . 0 0 "[ . 1]" 1
1325 3 25 GLU QG 3 28 ASP QB 7.000 . 7.700 4.377 3.814 5.115 . 0 0 "[ . 1]" 1
1326 3 25 GLU HG2 3 26 GLU HA 5.000 . 5.500 4.744 3.480 5.349 . 0 0 "[ . 1]" 1
1327 3 25 GLU HG3 3 26 GLU HA 5.000 . 5.500 4.308 3.475 5.480 . 0 0 "[ . 1]" 1
1328 3 26 GLU H 3 26 GLU HG2 5.000 . 5.500 4.457 3.634 4.585 . 0 0 "[ . 1]" 1
1329 3 26 GLU H 3 26 GLU HG3 5.000 . 5.500 4.304 3.255 4.464 . 0 0 "[ . 1]" 1
1330 3 26 GLU H 3 27 LEU H 4.000 . 4.400 2.814 2.630 2.965 . 0 0 "[ . 1]" 1
1331 3 26 GLU H 3 27 LEU QB 5.600 . 6.160 4.913 4.651 5.226 . 0 0 "[ . 1]" 1
1332 3 26 GLU H 3 28 ASP H 4.000 . 4.400 4.240 3.946 4.413 0.013 3 0 "[ . 1]" 1
1333 3 26 GLU HA 3 27 LEU H 5.000 . 5.500 3.576 3.547 3.594 . 0 0 "[ . 1]" 1
1334 3 26 GLU HA 3 28 ASP H 5.000 . 5.500 4.576 4.228 4.862 . 0 0 "[ . 1]" 1
1335 3 26 GLU HA 3 29 HIS H 5.000 . 5.500 3.721 3.346 4.176 . 0 0 "[ . 1]" 1
1336 3 26 GLU HA 3 29 HIS QB . . 5.500 2.935 2.089 3.377 . 0 0 "[ . 1]" 1
1337 3 26 GLU HA 3 30 ALA H 4.000 . 4.400 3.827 3.182 4.348 . 0 0 "[ . 1]" 1
1338 3 26 GLU QB 3 27 LEU H 5.600 . 6.160 2.473 2.275 3.378 . 0 0 "[ . 1]" 1
1339 3 26 GLU HB2 3 27 LEU H 5.000 . 5.500 3.816 3.704 4.151 . 0 0 "[ . 1]" 1
1340 3 26 GLU HB3 3 27 LEU H 5.000 . 5.500 2.516 2.295 3.577 . 0 0 "[ . 1]" 1
1341 3 26 GLU QG 3 27 LEU H 6.000 . 6.600 3.254 2.077 3.794 . 0 0 "[ . 1]" 1
1342 3 26 GLU QG 3 27 LEU HA 6.000 . 6.600 3.388 2.967 3.702 . 0 0 "[ . 1]" 1
1343 3 26 GLU QG 3 30 ALA H 6.000 . 6.600 4.352 3.491 4.652 . 0 0 "[ . 1]" 1
1344 3 26 GLU HG2 3 27 LEU H 5.000 . 5.500 4.165 3.567 4.490 . 0 0 "[ . 1]" 1
1345 3 26 GLU HG3 3 27 LEU H 5.000 . 5.500 3.565 2.091 4.945 . 0 0 "[ . 1]" 1
1346 3 27 LEU H 3 27 LEU HG 5.000 . 5.500 2.741 2.076 4.063 . 0 0 "[ . 1]" 1
1347 3 27 LEU H 3 28 ASP H 5.000 . 5.500 2.726 2.590 2.882 . 0 0 "[ . 1]" 1
1348 3 27 LEU H 3 29 HIS H 5.000 . 5.500 4.295 4.136 4.424 . 0 0 "[ . 1]" 1
1349 3 27 LEU H 3 30 ALA MB 6.000 . 6.600 4.491 4.275 4.699 . 0 0 "[ . 1]" 1
1350 3 27 LEU HA 3 28 ASP H 5.000 . 5.500 3.541 3.475 3.582 . 0 0 "[ . 1]" 1
1351 3 27 LEU HA 3 29 HIS H 5.000 . 5.500 4.592 4.414 4.832 . 0 0 "[ . 1]" 1
1352 3 27 LEU HA 4 25 ARG QD 7.400 . 8.140 33.575 32.670 34.468 26.328 3 10 [**+-******] 1
1353 3 27 LEU QB 3 31 LEU HG 6.000 . 6.600 4.788 4.197 5.593 . 0 0 "[ . 1]" 1
1354 3 27 LEU QB 4 25 ARG QD 8.400 . 9.240 30.410 29.389 31.438 22.198 7 10 [***-**+***] 1
1355 3 27 LEU HB2 3 28 ASP H 5.000 . 5.500 3.118 2.328 3.937 . 0 0 "[ . 1]" 1
1356 3 27 LEU HB3 3 28 ASP H 5.000 . 5.500 3.707 3.216 4.119 . 0 0 "[ . 1]" 1
1357 3 27 LEU QD 3 28 ASP H 7.400 . 8.140 3.323 2.301 3.988 . 0 0 "[ . 1]" 1
1358 3 27 LEU QD 4 21 ASN QD 8.400 . 9.240 22.716 20.656 24.100 14.860 9 10 [-*******+*] 1
1359 3 27 LEU QD 4 25 ARG HA 7.400 . 8.140 29.938 29.152 30.702 22.562 4 10 [***+**-***] 1
1360 3 27 LEU QD 4 25 ARG QB 8.400 . 9.240 26.154 25.672 26.676 17.436 9 10 [********+-] 1
1361 3 27 LEU HG 3 28 ASP H 5.000 . 5.500 3.735 2.180 5.193 . 0 0 "[ . 1]" 1
1362 3 27 LEU HG 4 25 ARG QD 6.000 . 6.600 35.199 32.981 36.616 30.016 6 10 [-****+****] 1
1363 3 28 ASP H 3 28 ASP HB2 4.000 . 4.400 2.575 2.473 2.717 . 0 0 "[ . 1]" 1
1364 3 28 ASP H 3 28 ASP HB3 4.000 . 4.400 2.526 2.393 2.625 . 0 0 "[ . 1]" 1
1365 3 28 ASP H 3 29 HIS QB 5.600 . 6.160 4.479 4.306 4.777 . 0 0 "[ . 1]" 1
1366 3 28 ASP H 3 30 ALA H 4.000 . 4.400 4.066 3.849 4.274 . 0 0 "[ . 1]" 1
1367 3 28 ASP HA 3 29 HIS H 5.000 . 5.500 3.544 3.522 3.561 . 0 0 "[ . 1]" 1
1368 3 28 ASP HA 3 30 ALA H 5.000 . 5.500 4.518 4.251 4.774 . 0 0 "[ . 1]" 1
1369 3 28 ASP HA 3 31 LEU H 5.000 . 5.500 3.906 3.649 4.113 . 0 0 "[ . 1]" 1
1370 3 28 ASP HA 3 31 LEU QB 6.000 . 6.600 3.473 2.886 3.867 . 0 0 "[ . 1]" 1
1371 3 28 ASP HA 3 31 LEU QD 7.400 . 8.140 4.166 3.824 4.378 . 0 0 "[ . 1]" 1
1372 3 28 ASP HA 3 32 LYS QB 6.000 . 6.600 4.264 3.856 4.434 . 0 0 "[ . 1]" 1
1373 3 28 ASP QB 3 29 HIS QB 6.200 . 6.820 3.788 3.602 4.226 . 0 0 "[ . 1]" 1
1374 3 28 ASP QB 3 30 ALA H 5.000 . 5.500 4.629 4.432 4.839 . 0 0 "[ . 1]" 1
1375 3 28 ASP QB 3 31 LEU QD 8.400 . 9.240 5.325 5.189 5.487 . 0 0 "[ . 1]" 1
1376 3 28 ASP QB 3 32 LYS QD 7.000 . 7.700 4.830 3.667 6.188 . 0 0 "[ . 1]" 1
1377 3 28 ASP HB2 3 29 HIS H 4.000 . 4.400 3.773 3.727 3.822 . 0 0 "[ . 1]" 1
1378 3 28 ASP HB2 3 29 HIS HA 5.000 . 5.500 5.528 5.484 5.568 0.068 1 0 "[ . 1]" 1
1379 3 28 ASP HB2 3 32 LYS QB 6.000 . 6.600 5.617 5.344 5.816 . 0 0 "[ . 1]" 1
1380 3 28 ASP HB3 3 29 HIS H 4.000 . 4.400 2.417 2.373 2.523 . 0 0 "[ . 1]" 1
1381 3 28 ASP HB3 3 29 HIS HA 5.000 . 5.500 4.213 4.076 4.396 . 0 0 "[ . 1]" 1
1382 3 28 ASP HB3 3 32 LYS QB 6.000 . 6.600 5.075 4.676 5.309 . 0 0 "[ . 1]" 1
1383 3 29 HIS H 3 30 ALA H 4.000 . 4.400 2.637 2.484 2.850 . 0 0 "[ . 1]" 1
1384 3 29 HIS H 3 31 LEU H 4.500 . 4.950 4.323 4.028 4.449 . 0 0 "[ . 1]" 1
1385 3 29 HIS HA 3 29 HIS HD2 5.000 . 5.500 3.865 2.486 4.533 . 0 0 "[ . 1]" 1
1386 3 29 HIS HA 3 30 ALA H 5.000 . 5.500 3.525 3.473 3.555 . 0 0 "[ . 1]" 1
1387 3 29 HIS HA 3 32 LYS QB 6.000 . 6.600 2.611 1.981 3.091 . 0 0 "[ . 1]" 1
1388 3 29 HIS HA 3 32 LYS QD 6.000 . 6.600 4.299 3.630 5.350 . 0 0 "[ . 1]" 1
1389 3 29 HIS HA 3 32 LYS QG 6.000 . 6.600 4.296 3.382 4.840 . 0 0 "[ . 1]" 1
1390 3 29 HIS HA 3 33 ASP H 5.000 . 5.500 4.013 3.801 4.337 . 0 0 "[ . 1]" 1
1391 3 29 HIS QB 3 30 ALA H 4.600 . 5.060 2.624 2.350 2.871 . 0 0 "[ . 1]" 1
1392 3 29 HIS QB 3 30 ALA HA 5.600 . 6.160 3.992 3.806 4.177 . 0 0 "[ . 1]" 1
1393 3 29 HIS QB 3 30 ALA MB 6.600 . 7.260 3.803 3.554 4.064 . 0 0 "[ . 1]" 1
1394 3 30 ALA H 3 31 LEU QD 7.400 . 8.140 3.897 3.748 4.026 . 0 0 "[ . 1]" 1
1395 3 30 ALA H 3 32 LYS H 4.000 . 4.400 3.901 3.686 4.019 . 0 0 "[ . 1]" 1
1396 3 30 ALA HA 3 31 LEU H 5.000 . 5.500 3.545 3.497 3.574 . 0 0 "[ . 1]" 1
1397 3 30 ALA HA 3 33 ASP H 5.000 . 5.500 3.593 3.124 3.910 . 0 0 "[ . 1]" 1
1398 3 30 ALA HA 3 33 ASP HB2 4.000 . 4.400 2.844 2.356 3.331 . 0 0 "[ . 1]" 1
1399 3 30 ALA MB 3 31 LEU H 6.000 . 6.600 2.547 2.373 2.758 . 0 0 "[ . 1]" 1
1400 3 30 ALA MB 3 31 LEU QB 6.600 . 7.260 4.007 3.916 4.124 . 0 0 "[ . 1]" 1
1401 3 30 ALA MB 3 31 LEU HG 6.000 . 6.600 4.942 4.787 5.229 . 0 0 "[ . 1]" 1
1402 3 31 LEU H 3 31 LEU HB2 4.000 . 4.400 2.263 2.199 2.326 . 0 0 "[ . 1]" 1
1403 3 31 LEU H 3 31 LEU HG 5.000 . 5.500 4.143 4.035 4.263 . 0 0 "[ . 1]" 1
1404 3 31 LEU H 3 32 LYS H 4.000 . 4.400 2.389 2.293 2.543 . 0 0 "[ . 1]" 1
1405 3 31 LEU H 3 32 LYS QB 5.600 . 6.160 4.162 3.907 4.393 . 0 0 "[ . 1]" 1
1406 3 31 LEU HA 3 32 LYS H 5.000 . 5.500 3.459 3.418 3.511 . 0 0 "[ . 1]" 1
1407 3 31 LEU HA 3 33 ASP H 5.000 . 5.500 4.021 3.777 4.360 . 0 0 "[ . 1]" 1
1408 3 31 LEU HA 3 34 MET ME 6.000 . 6.600 3.360 1.952 4.417 . 0 0 "[ . 1]" 1
1409 3 31 LEU HA 3 34 MET HG2 5.000 . 5.500 3.847 1.985 5.275 . 0 0 "[ . 1]" 1
1410 3 31 LEU HA 3 34 MET HG3 5.000 . 5.500 4.162 2.785 5.543 0.043 6 0 "[ . 1]" 1
1411 3 31 LEU QB 3 32 LYS H 4.600 . 5.060 2.948 2.855 3.058 . 0 0 "[ . 1]" 1
1412 3 31 LEU QB 3 33 ASP H 5.000 . 5.500 4.654 4.462 4.897 . 0 0 "[ . 1]" 1
1413 3 31 LEU HB2 3 32 LYS H 4.000 . 4.400 3.101 2.974 3.258 . 0 0 "[ . 1]" 1
1414 3 31 LEU QD 3 32 LYS H 7.400 . 8.140 3.909 3.814 3.979 . 0 0 "[ . 1]" 1
1415 3 31 LEU QD 4 29 LEU HG 7.400 . 8.140 28.872 27.311 29.701 21.561 3 10 [-*+*******] 1
1416 3 31 LEU HG 4 29 LEU QD 7.400 . 8.140 29.054 28.121 30.014 21.874 8 10 [-******+**] 1
1417 3 32 LYS H 3 33 ASP H 4.000 . 4.400 2.378 2.227 2.564 . 0 0 "[ . 1]" 1
1418 3 32 LYS HA 3 32 LYS HD2 5.000 . 5.500 3.731 2.267 4.732 . 0 0 "[ . 1]" 1
1419 3 32 LYS HA 3 32 LYS HD3 5.000 . 5.500 3.659 1.993 4.814 . 0 0 "[ . 1]" 1
1420 3 32 LYS HA 3 32 LYS QE 6.000 . 6.600 3.966 3.128 4.910 . 0 0 "[ . 1]" 1
1421 3 32 LYS HA 3 33 ASP H 4.000 . 4.400 3.448 3.361 3.521 . 0 0 "[ . 1]" 1
1422 3 32 LYS HA 3 35 THR H 4.000 . 4.400 4.194 3.338 4.499 0.099 8 0 "[ . 1]" 1
1423 3 32 LYS QB 3 33 ASP H 5.600 . 6.160 2.855 2.613 3.103 . 0 0 "[ . 1]" 1
1424 3 32 LYS QB 3 33 ASP HA 5.600 . 6.160 3.989 3.686 4.230 . 0 0 "[ . 1]" 1
1425 3 32 LYS QB 3 33 ASP HB2 5.600 . 6.160 4.759 4.350 5.102 . 0 0 "[ . 1]" 1
1426 3 32 LYS QG 3 33 ASP H 6.000 . 6.600 4.303 3.949 4.751 . 0 0 "[ . 1]" 1
1427 3 33 ASP H 3 33 ASP HB2 4.000 . 4.400 2.357 2.044 2.556 . 0 0 "[ . 1]" 1
1428 3 33 ASP H 3 33 ASP QB 3.600 . 3.960 2.263 2.025 2.507 . 0 0 "[ . 1]" 1
1429 3 33 ASP H 3 34 MET QG 6.000 . 6.600 4.456 3.674 5.448 . 0 0 "[ . 1]" 1
1430 3 33 ASP HA 3 34 MET H 4.000 . 4.400 3.526 3.457 3.575 . 0 0 "[ . 1]" 1
1431 3 33 ASP QB 3 34 MET QB 6.200 . 6.820 3.635 3.140 4.328 . 0 0 "[ . 1]" 1
1432 3 33 ASP HB2 3 34 MET H 4.000 . 4.400 3.006 2.174 3.670 . 0 0 "[ . 1]" 1
1433 3 33 ASP HB2 3 34 MET ME 6.000 . 6.600 5.482 5.006 5.648 . 0 0 "[ . 1]" 1
1434 3 33 ASP HB2 3 34 MET QG 6.000 . 6.600 4.497 2.937 6.067 . 0 0 "[ . 1]" 1
1435 3 34 MET H 3 34 MET ME 6.000 . 6.600 3.956 3.191 4.435 . 0 0 "[ . 1]" 1
1436 3 34 MET H 3 34 MET HG2 5.000 . 5.500 2.559 1.624 3.399 . 0 0 "[ . 1]" 1
1437 3 34 MET H 3 34 MET HG3 5.000 . 5.500 3.112 1.653 3.816 . 0 0 "[ . 1]" 1
1438 3 34 MET H 3 35 THR MG 6.000 . 6.600 4.754 3.864 5.652 . 0 0 "[ . 1]" 1
1439 3 34 MET HA 3 35 THR H 4.000 . 4.400 3.311 2.729 3.578 . 0 0 "[ . 1]" 1
1440 3 34 MET HA 3 35 THR MG 6.000 . 6.600 4.721 4.095 5.620 . 0 0 "[ . 1]" 1
1441 3 34 MET QB 3 35 THR H 5.000 . 5.500 3.281 2.005 4.028 . 0 0 "[ . 1]" 1
1442 3 34 MET QB 3 36 SER H 5.000 . 5.500 2.962 2.310 3.804 . 0 0 "[ . 1]" 1
1443 3 34 MET QB 3 37 ILE H 5.000 . 5.500 4.390 3.641 5.276 . 0 0 "[ . 1]" 1
1444 3 34 MET QB 3 37 ILE HB 5.000 . 5.500 3.719 2.755 5.206 . 0 0 "[ . 1]" 1
1445 3 34 MET QB 3 37 ILE MD 7.000 . 7.700 4.505 3.665 5.085 . 0 0 "[ . 1]" 1
1446 3 34 MET QB 3 37 ILE MG 7.000 . 7.700 3.249 2.553 4.598 . 0 0 "[ . 1]" 1
1447 3 34 MET ME 3 35 THR H 6.000 . 6.600 4.155 2.118 5.561 . 0 0 "[ . 1]" 1
1448 3 34 MET ME 3 36 SER H 6.000 . 6.600 4.471 3.021 5.372 . 0 0 "[ . 1]" 1
1449 3 34 MET ME 3 37 ILE H 6.000 . 6.600 4.371 3.210 5.342 . 0 0 "[ . 1]" 1
1450 3 34 MET ME 3 37 ILE HB 6.000 . 6.600 2.919 2.051 4.502 . 0 0 "[ . 1]" 1
1451 3 34 MET QG 3 35 THR MG 7.000 . 7.700 4.655 3.554 5.688 . 0 0 "[ . 1]" 1
1452 3 34 MET QG 3 37 ILE MD 7.000 . 7.700 4.140 3.273 5.152 . 0 0 "[ . 1]" 1
1453 3 34 MET QG 3 37 ILE MG 7.000 . 7.700 2.718 1.923 4.119 . 0 0 "[ . 1]" 1
1454 3 34 MET HG2 3 35 THR H 5.000 . 5.500 3.239 1.621 4.649 . 0 0 "[ . 1]" 1
1455 3 34 MET HG3 3 35 THR H 5.000 . 5.500 3.661 1.527 4.398 . 0 0 "[ . 1]" 1
1456 3 35 THR H 3 35 THR HB 4.000 . 4.400 3.430 2.506 4.087 . 0 0 "[ . 1]" 1
1457 3 35 THR H 3 37 ILE MG 6.000 . 6.600 4.226 3.609 4.841 . 0 0 "[ . 1]" 1
1458 3 35 THR HA 3 36 SER H 3.000 . 3.300 3.199 2.916 3.520 0.220 5 0 "[ . 1]" 1
1459 3 35 THR HA 3 36 SER QB 5.600 . 6.160 5.263 4.816 5.517 . 0 0 "[ . 1]" 1
1460 3 35 THR HA 3 37 ILE H 4.000 . 4.400 4.171 3.487 4.537 0.137 1 0 "[ . 1]" 1
1461 3 35 THR HA 3 37 ILE MG 6.000 . 6.600 3.973 3.413 4.814 . 0 0 "[ . 1]" 1
1462 3 35 THR MG 3 36 SER H 6.000 . 6.600 3.665 2.517 4.414 . 0 0 "[ . 1]" 1
1463 3 36 SER H 3 37 ILE H 4.000 . 4.400 3.067 1.911 3.909 . 0 0 "[ . 1]" 1
1464 3 36 SER H 3 37 ILE MG 6.000 . 6.600 3.547 2.674 4.808 . 0 0 "[ . 1]" 1
1465 3 36 SER HA 3 37 ILE H 3.000 . 3.300 2.619 2.256 3.218 . 0 0 "[ . 1]" 1
1466 3 36 SER HA 3 37 ILE MG 6.000 . 6.600 4.351 3.952 4.753 . 0 0 "[ . 1]" 1
1467 3 36 SER QB 3 37 ILE H 4.600 . 5.060 3.838 3.607 4.031 . 0 0 "[ . 1]" 1
1468 3 36 SER QB 3 37 ILE MG 6.600 . 7.260 4.733 4.131 5.053 . 0 0 "[ . 1]" 1
1469 3 37 ILE H 3 37 ILE HB 4.000 . 4.400 3.307 2.890 3.733 . 0 0 "[ . 1]" 1
1470 3 37 ILE H 3 37 ILE HG12 5.000 . 5.500 4.199 2.107 4.619 . 0 0 "[ . 1]" 1
1471 3 37 ILE H 3 37 ILE HG13 5.000 . 5.500 4.558 2.901 4.904 . 0 0 "[ . 1]" 1
1472 4 2 MET QB 4 3 ASP H 5.600 . 6.160 3.756 3.447 4.001 . 0 0 "[ . 1]" 1
1473 4 3 ASP HA 4 7 LYS H 5.000 . 5.500 3.518 2.820 3.860 . 0 0 "[ . 1]" 1
1474 4 3 ASP QB 4 7 LYS QB 7.000 . 7.700 3.918 2.852 5.238 . 0 0 "[ . 1]" 1
1475 4 3 ASP HB2 4 4 ALA H 4.000 . 4.400 3.626 2.807 4.161 . 0 0 "[ . 1]" 1
1476 4 3 ASP HB3 4 4 ALA H 4.000 . 4.400 3.536 2.332 4.168 . 0 0 "[ . 1]" 1
1477 4 4 ALA HA 4 7 LYS QB 6.000 . 6.600 3.871 3.409 4.458 . 0 0 "[ . 1]" 1
1478 4 4 ALA HA 4 7 LYS QD 7.400 . 8.140 4.789 4.338 6.070 . 0 0 "[ . 1]" 1
1479 4 5 ILE H 4 6 LYS H 5.000 . 5.500 2.619 2.476 2.781 . 0 0 "[ . 1]" 1
1480 4 5 ILE H 4 7 LYS H 5.000 . 5.500 4.538 4.265 4.890 . 0 0 "[ . 1]" 1
1481 4 5 ILE H 4 7 LYS QB 6.000 . 6.600 5.580 5.209 6.121 . 0 0 "[ . 1]" 1
1482 4 5 ILE HA 4 8 LYS H 5.000 . 5.500 3.680 3.235 3.978 . 0 0 "[ . 1]" 1
1483 4 5 ILE HA 4 8 LYS HB2 5.000 . 5.500 2.841 2.413 3.250 . 0 0 "[ . 1]" 1
1484 4 5 ILE HA 4 8 LYS HB3 5.000 . 5.500 4.091 2.322 4.782 . 0 0 "[ . 1]" 1
1485 4 5 ILE HB 4 6 LYS HA 5.600 . 6.160 5.561 5.360 5.743 . 0 0 "[ . 1]" 1
1486 4 6 LYS H 4 7 LYS H 5.000 . 5.500 2.754 2.516 2.889 . 0 0 "[ . 1]" 1
1487 4 6 LYS HA 4 7 LYS H 5.000 . 5.500 3.559 3.517 3.583 . 0 0 "[ . 1]" 1
1488 4 6 LYS HA 4 9 MET H 5.000 . 5.500 3.643 3.275 3.911 . 0 0 "[ . 1]" 1
1489 4 6 LYS HA 4 9 MET HB2 5.000 . 5.500 3.596 2.895 4.217 . 0 0 "[ . 1]" 1
1490 4 6 LYS HA 4 9 MET HB3 5.000 . 5.500 2.646 1.925 3.434 . 0 0 "[ . 1]" 1
1491 4 6 LYS QB 4 10 GLN QG 7.000 . 7.700 6.620 6.258 6.968 . 0 0 "[ . 1]" 1
1492 4 7 LYS H 4 9 MET H 5.000 . 5.500 3.986 3.715 4.142 . 0 0 "[ . 1]" 1
1493 4 7 LYS HA 4 10 GLN H 4.000 . 4.400 3.444 3.041 3.748 . 0 0 "[ . 1]" 1
1494 4 7 LYS HA 4 10 GLN QB 5.000 . 5.500 2.901 2.465 3.259 . 0 0 "[ . 1]" 1
1495 4 7 LYS QB 4 8 LYS H 5.600 . 6.160 2.587 2.378 2.813 . 0 0 "[ . 1]" 1
1496 4 7 LYS QB 4 8 LYS QB 6.200 . 6.820 4.287 4.012 4.641 . 0 0 "[ . 1]" 1
1497 4 7 LYS QD 4 11 MET QB 8.400 . 9.240 6.515 5.617 7.436 . 0 0 "[ . 1]" 1
1498 4 8 LYS H 4 8 LYS HG2 5.000 . 5.500 3.745 3.281 4.548 . 0 0 "[ . 1]" 1
1499 4 8 LYS H 4 8 LYS HG3 5.000 . 5.500 2.800 2.246 4.352 . 0 0 "[ . 1]" 1
1500 4 8 LYS H 4 9 MET H 5.000 . 5.500 2.615 2.529 2.689 . 0 0 "[ . 1]" 1
1501 4 8 LYS H 4 10 GLN H 5.000 . 5.500 4.137 3.957 4.341 . 0 0 "[ . 1]" 1
1502 4 8 LYS H 4 11 MET QB 5.000 . 5.500 5.154 4.726 5.581 0.081 4 0 "[ . 1]" 1
1503 4 8 LYS HA 4 11 MET H 5.000 . 5.500 3.278 3.124 3.446 . 0 0 "[ . 1]" 1
1504 4 8 LYS HA 4 11 MET QB 4.000 . 4.400 2.680 2.384 3.090 . 0 0 "[ . 1]" 1
1505 4 8 LYS HB2 4 9 MET H 5.000 . 5.500 2.945 2.638 3.837 . 0 0 "[ . 1]" 1
1506 4 8 LYS HB3 4 9 MET H 5.000 . 5.500 3.504 2.802 3.791 . 0 0 "[ . 1]" 1
1507 4 8 LYS QG 4 9 MET H 6.000 . 6.600 4.245 4.053 4.500 . 0 0 "[ . 1]" 1
1508 4 8 LYS QG 4 12 LEU H 6.000 . 6.600 5.235 3.871 5.816 . 0 0 "[ . 1]" 1
1509 4 9 MET H 4 9 MET HB2 4.000 . 4.400 2.712 2.547 2.925 . 0 0 "[ . 1]" 1
1510 4 9 MET H 4 9 MET HB3 4.000 . 4.400 2.393 2.217 2.567 . 0 0 "[ . 1]" 1
1511 4 9 MET H 4 11 MET H 5.000 . 5.500 4.319 4.152 4.505 . 0 0 "[ . 1]" 1
1512 4 9 MET H 4 11 MET QB 6.000 . 6.600 5.099 4.775 5.467 . 0 0 "[ . 1]" 1
1513 4 9 MET HA 4 10 GLN H 4.000 . 4.400 3.537 3.520 3.553 . 0 0 "[ . 1]" 1
1514 4 9 MET QB 4 10 GLN QG 6.600 . 7.260 5.575 5.375 5.880 . 0 0 "[ . 1]" 1
1515 4 9 MET HB2 4 10 GLN H 4.000 . 4.400 3.955 3.829 4.173 . 0 0 "[ . 1]" 1
1516 4 9 MET HB3 4 10 GLN H 4.000 . 4.400 2.639 2.487 2.948 . 0 0 "[ . 1]" 1
1517 4 10 GLN H 4 11 MET H 5.000 . 5.500 2.750 2.642 2.858 . 0 0 "[ . 1]" 1
1518 4 10 GLN H 4 11 MET QB 4.600 . 5.060 4.617 4.410 4.832 . 0 0 "[ . 1]" 1
1519 4 10 GLN HA 4 13 LYS H 4.000 . 4.400 3.597 3.302 3.796 . 0 0 "[ . 1]" 1
1520 4 10 GLN HA 4 13 LYS QB 6.000 . 6.600 3.164 2.656 3.528 . 0 0 "[ . 1]" 1
1521 4 10 GLN QB 4 11 MET H 4.000 . 4.400 2.396 2.287 2.536 . 0 0 "[ . 1]" 1
1522 4 10 GLN QB 4 11 MET HA 5.600 . 6.160 4.132 4.037 4.232 . 0 0 "[ . 1]" 1
1523 4 10 GLN QB 4 14 LEU H 5.000 . 5.500 5.350 5.228 5.545 0.045 4 0 "[ . 1]" 1
1524 4 10 GLN QB 4 14 LEU HG 7.000 . 7.700 5.022 4.357 6.016 . 0 0 "[ . 1]" 1
1525 4 10 GLN QG 4 13 LYS QB 7.000 . 7.700 4.344 3.644 4.780 . 0 0 "[ . 1]" 1
1526 4 11 MET H 4 12 LEU H 4.000 . 4.400 2.624 2.542 2.717 . 0 0 "[ . 1]" 1
1527 4 11 MET HA 4 14 LEU H 5.000 . 5.500 3.617 3.392 3.874 . 0 0 "[ . 1]" 1
1528 4 11 MET HA 4 14 LEU QB 6.000 . 6.600 2.676 2.406 2.922 . 0 0 "[ . 1]" 1
1529 4 11 MET QB 4 12 LEU H 5.000 . 5.500 2.499 2.303 2.674 . 0 0 "[ . 1]" 1
1530 4 11 MET QB 4 12 LEU HA 5.600 . 6.160 4.006 3.774 4.192 . 0 0 "[ . 1]" 1
1531 4 12 LEU H 4 13 LYS H 3.000 . 3.300 2.896 2.651 3.020 . 0 0 "[ . 1]" 1
1532 4 12 LEU H 4 13 LYS HA 5.000 . 5.500 5.426 5.256 5.493 . 0 0 "[ . 1]" 1
1533 4 12 LEU HA 4 13 LYS H 4.000 . 4.400 3.569 3.544 3.581 . 0 0 "[ . 1]" 1
1534 4 12 LEU HA 4 14 LEU H 5.000 . 5.500 4.549 4.375 4.722 . 0 0 "[ . 1]" 1
1535 4 12 LEU HA 4 15 ASP H 4.000 . 4.400 3.592 3.167 3.959 . 0 0 "[ . 1]" 1
1536 4 12 LEU HA 4 15 ASP QB 5.000 . 5.500 2.829 2.250 3.301 . 0 0 "[ . 1]" 1
1537 4 12 LEU QB 4 13 LYS H 4.600 . 5.060 2.386 2.289 2.535 . 0 0 "[ . 1]" 1
1538 4 12 LEU QB 4 13 LYS QB 6.600 . 7.260 4.212 3.708 4.472 . 0 0 "[ . 1]" 1
1539 4 12 LEU QD 4 13 LYS H 7.200 . 7.920 3.411 3.112 3.865 . 0 0 "[ . 1]" 1
1540 4 12 LEU QD 4 16 ASN QD 9.600 . 10.560 2.249 1.948 2.592 . 0 0 "[ . 1]" 1
1541 4 13 LYS H 4 14 LEU H 4.000 . 4.400 2.669 2.615 2.734 . 0 0 "[ . 1]" 1
1542 4 13 LYS HA 4 14 LEU H 5.000 . 5.500 3.531 3.507 3.554 . 0 0 "[ . 1]" 1
1543 4 13 LYS HA 4 16 ASN H 5.000 . 5.500 3.231 2.996 3.613 . 0 0 "[ . 1]" 1
1544 4 13 LYS HA 4 16 ASN HB2 5.000 . 5.500 2.321 1.992 2.728 . 0 0 "[ . 1]" 1
1545 4 13 LYS HA 4 16 ASN HB3 5.000 . 5.500 3.935 3.539 4.356 . 0 0 "[ . 1]" 1
1546 4 13 LYS HA 4 16 ASN QD 7.400 . 8.140 3.891 3.039 4.438 . 0 0 "[ . 1]" 1
1547 4 13 LYS HA 4 17 TYR H 5.000 . 5.500 3.819 3.421 4.205 . 0 0 "[ . 1]" 1
1548 4 13 LYS QB 4 14 LEU H 6.000 . 6.600 2.729 2.475 3.067 . 0 0 "[ . 1]" 1
1549 4 13 LYS QB 4 14 LEU HA 6.000 . 6.600 3.985 3.907 4.073 . 0 0 "[ . 1]" 1
1550 4 14 LEU H 4 16 ASN H 4.000 . 4.400 4.155 3.974 4.349 . 0 0 "[ . 1]" 1
1551 4 14 LEU HA 4 15 ASP H 5.000 . 5.500 3.532 3.510 3.551 . 0 0 "[ . 1]" 1
1552 4 14 LEU HA 4 16 ASN H 5.000 . 5.500 4.593 4.414 4.724 . 0 0 "[ . 1]" 1
1553 4 14 LEU HA 4 17 TYR H 5.000 . 5.500 3.436 3.202 3.657 . 0 0 "[ . 1]" 1
1554 4 14 LEU HA 4 17 TYR QB 5.000 . 5.500 2.568 2.249 2.801 . 0 0 "[ . 1]" 1
1555 4 14 LEU HA 4 17 TYR QD 6.000 . 6.600 3.445 1.866 4.371 . 0 0 "[ . 1]" 1
1556 4 15 ASP H 4 15 ASP HB2 4.000 . 4.400 2.447 2.206 2.580 . 0 0 "[ . 1]" 1
1557 4 15 ASP H 4 15 ASP HB3 4.000 . 4.400 2.687 2.535 2.995 . 0 0 "[ . 1]" 1
1558 4 15 ASP H 4 16 ASN H 4.000 . 4.400 2.653 2.556 2.741 . 0 0 "[ . 1]" 1
1559 4 15 ASP HA 4 16 ASN H 5.000 . 5.500 3.540 3.525 3.555 . 0 0 "[ . 1]" 1
1560 4 15 ASP HA 4 17 TYR H 5.000 . 5.500 4.300 3.905 4.487 . 0 0 "[ . 1]" 1
1561 4 15 ASP HA 4 18 HIS H 4.000 . 4.400 3.539 3.332 3.623 . 0 0 "[ . 1]" 1
1562 4 15 ASP HA 4 18 HIS HB2 5.000 . 5.500 5.087 3.951 5.390 . 0 0 "[ . 1]" 1
1563 4 15 ASP HA 4 18 HIS HB3 5.000 . 5.500 4.173 3.802 5.055 . 0 0 "[ . 1]" 1
1564 4 15 ASP HA 4 18 HIS HD1 7.200 . 7.920 1.639 1.416 1.912 . 0 0 "[ . 1]" 1
1565 4 15 ASP QB 4 18 HIS HD1 8.200 . 9.020 3.730 3.528 3.986 . 0 0 "[ . 1]" 1
1566 4 16 ASN H 4 16 ASN HB2 4.000 . 4.400 2.348 2.279 2.606 . 0 0 "[ . 1]" 1
1567 4 16 ASN H 4 16 ASN HB3 4.000 . 4.400 3.571 3.548 3.612 . 0 0 "[ . 1]" 1
1568 4 16 ASN H 4 18 HIS H 4.000 . 4.400 4.367 4.266 4.430 0.030 6 0 "[ . 1]" 1
1569 4 16 ASN HA 4 17 TYR H 5.000 . 5.500 3.520 3.450 3.553 . 0 0 "[ . 1]" 1
1570 4 16 ASN HA 4 19 LEU QB 6.000 . 6.600 2.392 1.910 2.795 . 0 0 "[ . 1]" 1
1571 4 16 ASN QD 4 19 LEU H 7.400 . 8.140 5.286 4.925 6.000 . 0 0 "[ . 1]" 1
1572 4 17 TYR H 4 17 TYR HA 3.000 . 3.300 2.819 2.796 2.837 . 0 0 "[ . 1]" 1
1573 4 17 TYR H 4 17 TYR QB 3.600 . 3.960 2.240 2.150 2.369 . 0 0 "[ . 1]" 1
1574 4 17 TYR H 4 18 HIS H 4.000 . 4.400 2.748 2.661 2.853 . 0 0 "[ . 1]" 1
1575 4 17 TYR HA 4 18 HIS H 4.000 . 4.400 3.580 3.549 3.591 . 0 0 "[ . 1]" 1
1576 4 17 TYR HA 4 20 GLU H 3.000 . 3.300 3.404 3.111 3.612 0.312 6 0 "[ . 1]" 1
1577 4 17 TYR HA 4 20 GLU QB 6.000 . 6.600 2.929 2.292 3.751 . 0 0 "[ . 1]" 1
1578 4 17 TYR HA 4 21 ASN H 4.000 . 4.400 3.983 3.624 4.396 . 0 0 "[ . 1]" 1
1579 4 17 TYR QB 4 18 HIS H 4.600 . 5.060 2.655 2.441 2.900 . 0 0 "[ . 1]" 1
1580 4 17 TYR QB 4 18 HIS HA 5.600 . 6.160 3.956 3.780 4.135 . 0 0 "[ . 1]" 1
1581 4 17 TYR QB 4 20 GLU H 6.000 . 6.600 4.958 4.724 5.128 . 0 0 "[ . 1]" 1
1582 4 18 HIS HA 4 21 ASN H 5.000 . 5.500 3.242 2.950 3.555 . 0 0 "[ . 1]" 1
1583 4 18 HIS QB 4 19 LEU H 4.600 . 5.060 3.486 2.280 3.674 . 0 0 "[ . 1]" 1
1584 4 18 HIS HD1 4 19 LEU H 7.200 . 7.920 3.474 3.302 3.606 . 0 0 "[ . 1]" 1
1585 4 18 HIS HD1 4 21 ASN QD 8.200 . 9.020 5.879 4.478 7.134 . 0 0 "[ . 1]" 1
1586 4 19 LEU H 4 20 GLU H 5.000 . 5.500 2.675 2.456 3.108 . 0 0 "[ . 1]" 1
1587 4 19 LEU HA 4 20 GLU H 4.000 . 4.400 3.562 3.529 3.602 . 0 0 "[ . 1]" 1
1588 4 19 LEU HA 4 22 GLU QB 6.000 . 6.600 2.610 2.123 3.484 . 0 0 "[ . 1]" 1
1589 4 19 LEU HA 4 23 VAL H 5.000 . 5.500 4.088 3.868 4.566 . 0 0 "[ . 1]" 1
1590 4 19 LEU HA 4 23 VAL HB 5.000 . 5.500 5.876 4.901 6.881 1.381 3 3 "[ + . -*1]" 1
1591 4 19 LEU QB 4 20 GLU H 5.600 . 6.160 2.405 2.321 2.565 . 0 0 "[ . 1]" 1
1592 4 19 LEU QB 4 20 GLU HA 5.600 . 6.160 3.926 3.700 4.169 . 0 0 "[ . 1]" 1
1593 4 19 LEU QD 4 20 GLU H 6.000 . 6.600 3.799 3.054 4.094 . 0 0 "[ . 1]" 1
1594 4 19 LEU HG 4 23 VAL HB 7.000 . 7.700 7.066 4.157 9.271 1.571 3 2 "[ + .- 1]" 1
1595 4 20 GLU H 4 21 ASN H 4.000 . 4.400 2.669 2.587 2.770 . 0 0 "[ . 1]" 1
1596 4 20 GLU H 4 23 VAL H 5.000 . 5.500 4.704 4.525 4.849 . 0 0 "[ . 1]" 1
1597 4 20 GLU HA 4 21 ASN H 4.000 . 4.400 3.516 3.463 3.556 . 0 0 "[ . 1]" 1
1598 4 20 GLU HA 4 24 ALA H 5.000 . 5.500 3.872 3.654 4.008 . 0 0 "[ . 1]" 1
1599 4 20 GLU QB 4 21 ASN H 6.000 . 6.600 2.797 2.385 3.516 . 0 0 "[ . 1]" 1
1600 4 20 GLU QB 4 21 ASN HA 6.000 . 6.600 4.233 4.107 4.494 . 0 0 "[ . 1]" 1
1601 4 21 ASN H 4 22 GLU H 3.000 . 3.300 2.688 2.501 2.797 . 0 0 "[ . 1]" 1
1602 4 21 ASN HA 4 24 ALA MB 5.000 . 5.500 2.647 2.215 2.977 . 0 0 "[ . 1]" 1
1603 4 21 ASN QD 4 22 GLU H 6.000 . 6.600 4.336 2.920 5.095 . 0 0 "[ . 1]" 1
1604 4 21 ASN QD 4 22 GLU QB 6.600 . 7.260 5.295 3.507 6.326 . 0 0 "[ . 1]" 1
1605 4 21 ASN QD 4 25 ARG H 6.000 . 6.600 5.926 4.976 6.902 0.302 6 0 "[ . 1]" 1
1606 4 22 GLU HA 4 23 VAL H 4.000 . 4.400 3.558 3.544 3.577 . 0 0 "[ . 1]" 1
1607 4 23 VAL H 4 24 ALA H 5.000 . 5.500 2.714 2.561 2.804 . 0 0 "[ . 1]" 1
1608 4 23 VAL HA 4 24 ALA H 5.000 . 5.500 3.535 3.483 3.564 . 0 0 "[ . 1]" 1
1609 4 23 VAL HA 4 25 ARG H 5.000 . 5.500 4.547 4.280 4.651 . 0 0 "[ . 1]" 1
1610 4 23 VAL HA 4 26 LEU H 4.000 . 4.400 3.439 3.134 3.626 . 0 0 "[ . 1]" 1
1611 4 23 VAL HA 4 26 LEU HB2 4.000 . 4.400 3.366 2.883 3.736 . 0 0 "[ . 1]" 1
1612 4 23 VAL HA 4 26 LEU HB3 4.000 . 4.400 2.526 2.046 2.891 . 0 0 "[ . 1]" 1
1613 4 23 VAL HA 4 27 LYS H 5.000 . 5.500 3.800 3.599 3.991 . 0 0 "[ . 1]" 1
1614 4 23 VAL HB 4 24 ALA HA 5.600 . 6.160 4.558 4.103 5.714 . 0 0 "[ . 1]" 1
1615 4 23 VAL HB 4 25 ARG H 6.000 . 6.600 5.366 5.024 6.144 . 0 0 "[ . 1]" 1
1616 4 23 VAL QG 4 24 ALA H 6.000 . 6.600 2.911 2.302 3.219 . 0 0 "[ . 1]" 1
1617 4 23 VAL QG 4 24 ALA HA 6.000 . 6.600 3.301 3.080 3.472 . 0 0 "[ . 1]" 1
1618 4 24 ALA H 4 25 ARG H 4.000 . 4.400 2.734 2.589 2.843 . 0 0 "[ . 1]" 1
1619 4 24 ALA H 4 25 ARG QB 5.600 . 6.160 4.740 4.616 4.834 . 0 0 "[ . 1]" 1
1620 4 24 ALA H 4 26 LEU H 4.000 . 4.400 3.990 3.717 4.202 . 0 0 "[ . 1]" 1
1621 4 24 ALA HA 4 25 ARG H 5.000 . 5.500 3.553 3.535 3.571 . 0 0 "[ . 1]" 1
1622 4 24 ALA HA 4 26 LEU H 5.000 . 5.500 4.377 4.267 4.521 . 0 0 "[ . 1]" 1
1623 4 24 ALA HA 4 27 LYS H 5.000 . 5.500 3.631 3.463 3.839 . 0 0 "[ . 1]" 1
1624 4 24 ALA HA 4 27 LYS QB 5.000 . 5.500 3.518 2.494 4.277 . 0 0 "[ . 1]" 1
1625 4 24 ALA MB 4 25 ARG H 5.600 . 6.160 2.445 2.369 2.518 . 0 0 "[ . 1]" 1
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