NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638963 |
6cgh   |
30410 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6cgh
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 985
_Distance_constraint_stats_list.Viol_count 930
_Distance_constraint_stats_list.Viol_total 1003.662
_Distance_constraint_stats_list.Viol_max 0.380
_Distance_constraint_stats_list.Viol_rms 0.0158
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0540
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 4.917 0.147 7 0 "[ . 1 . 2]"
1 7 LYS 0.477 0.065 3 0 "[ . 1 . 2]"
1 8 LYS 0.075 0.023 20 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.021 0.011 20 0 "[ . 1 . 2]"
1 11 GLN 0.577 0.180 4 0 "[ . 1 . 2]"
1 12 LYS 0.878 0.144 19 0 "[ . 1 . 2]"
1 13 LEU 1.150 0.264 10 0 "[ . 1 . 2]"
1 14 ARG 0.453 0.127 5 0 "[ . 1 . 2]"
1 15 ASN 1.604 0.180 4 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 2.147 0.178 5 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.003 0.003 14 0 "[ . 1 . 2]"
1 20 TRP 1.887 0.148 10 0 "[ . 1 . 2]"
1 21 ASN 1.420 0.098 7 0 "[ . 1 . 2]"
1 22 HIS 0.883 0.169 6 0 "[ . 1 . 2]"
1 23 PHE 0.012 0.011 3 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.190 0.129 6 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.187 0.036 11 0 "[ . 1 . 2]"
1 30 ARG 0.652 0.169 6 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 MET 7.503 0.176 11 0 "[ . 1 . 2]"
1 34 MET 0.066 0.025 16 0 "[ . 1 . 2]"
1 35 GLU 1.400 0.112 19 0 "[ . 1 . 2]"
1 36 GLU 1.820 0.113 1 0 "[ . 1 . 2]"
1 37 VAL 1.583 0.357 14 0 "[ . 1 . 2]"
1 38 GLU 0.425 0.075 2 0 "[ . 1 . 2]"
1 39 LYS 3.383 0.380 13 0 "[ . 1 . 2]"
1 40 LEU 3.833 0.304 1 0 "[ . 1 . 2]"
1 41 CYS 2.080 0.178 15 0 "[ . 1 . 2]"
1 42 ASP 1.583 0.178 15 0 "[ . 1 . 2]"
1 43 ARG 0.666 0.132 6 0 "[ . 1 . 2]"
1 44 LEU 0.761 0.087 12 0 "[ . 1 . 2]"
1 45 GLU 0.768 0.067 9 0 "[ . 1 . 2]"
1 46 LEU 2.066 0.135 5 0 "[ . 1 . 2]"
1 47 ALA 1.182 0.104 6 0 "[ . 1 . 2]"
1 48 SER 1.504 0.304 1 0 "[ . 1 . 2]"
1 49 LEU 4.044 0.224 11 0 "[ . 1 . 2]"
1 50 GLN 1.114 0.108 11 0 "[ . 1 . 2]"
1 51 CYS 0.127 0.047 7 0 "[ . 1 . 2]"
1 52 LEU 2.671 0.109 9 0 "[ . 1 . 2]"
1 53 ASN 1.395 0.264 10 0 "[ . 1 . 2]"
1 54 GLU 2.800 0.120 8 0 "[ . 1 . 2]"
1 55 THR 0.096 0.038 1 0 "[ . 1 . 2]"
1 56 LEU 2.421 0.217 18 0 "[ . 1 . 2]"
1 57 THR 1.143 0.076 10 0 "[ . 1 . 2]"
1 58 SER 2.096 0.120 8 0 "[ . 1 . 2]"
1 59 CYS 0.096 0.038 1 0 "[ . 1 . 2]"
1 60 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 1.842 0.148 10 0 "[ . 1 . 2]"
1 62 GLU 0.201 0.082 7 0 "[ . 1 . 2]"
1 63 VAL 0.540 0.069 14 0 "[ . 1 . 2]"
1 64 GLY 1.122 0.217 18 0 "[ . 1 . 2]"
1 65 LYS 2.067 0.277 17 0 "[ . 1 . 2]"
1 66 ALA 0.687 0.277 17 0 "[ . 1 . 2]"
1 67 ALA 0.331 0.061 3 0 "[ . 1 . 2]"
1 68 LEU 1.082 0.190 20 0 "[ . 1 . 2]"
1 69 GLU 6.806 0.190 20 0 "[ . 1 . 2]"
1 70 LYS 0.272 0.031 4 0 "[ . 1 . 2]"
1 71 GLN 0.105 0.053 3 0 "[ . 1 . 2]"
1 72 ILE 2.033 0.357 14 0 "[ . 1 . 2]"
1 73 GLU 3.702 0.165 2 0 "[ . 1 . 2]"
1 74 GLU 0.003 0.003 16 0 "[ . 1 . 2]"
1 75 ILE 0.462 0.127 19 0 "[ . 1 . 2]"
1 76 ASN 3.527 0.173 3 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.736 0.107 3 0 "[ . 1 . 2]"
1 80 ARG 0.632 0.118 7 0 "[ . 1 . 2]"
1 81 LYS 0.317 0.122 14 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.830 0.364 17 0 "[ . 1 . 2]"
1 85 GLU 1.439 0.149 18 0 "[ . 1 . 2]"
1 86 ALA 0.491 0.076 14 0 "[ . 1 . 2]"
1 87 GLU 1.163 0.149 18 0 "[ . 1 . 2]"
1 88 ALA 0.696 0.364 17 0 "[ . 1 . 2]"
1 89 ARG 0.316 0.097 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LYS O 1 8 LYS H . . 2.400 1.992 1.846 2.294 . 0 0 "[ . 1 . 2]" 1
2 1 4 LYS O 1 8 LYS N . . 3.300 2.933 2.799 3.225 . 0 0 "[ . 1 . 2]" 1
3 1 5 ALA H 1 46 LEU MD1 . . 7.730 5.268 4.381 5.809 . 0 0 "[ . 1 . 2]" 1
4 1 5 ALA HA 1 8 LYS H . . 5.060 3.294 3.177 3.376 . 0 0 "[ . 1 . 2]" 1
5 1 5 ALA MB 1 6 ILE H . . 5.710 2.632 2.608 2.708 . 0 0 "[ . 1 . 2]" 1
6 1 5 ALA MB 1 6 ILE HA . . 4.860 3.759 3.735 3.775 . 0 0 "[ . 1 . 2]" 1
7 1 5 ALA MB 1 6 ILE HB . . 5.720 4.032 3.984 4.148 . 0 0 "[ . 1 . 2]" 1
8 1 5 ALA MB 1 8 LYS QB . . 7.040 3.990 3.796 4.202 . 0 0 "[ . 1 . 2]" 1
9 1 5 ALA MB 1 46 LEU HB3 . . 4.730 3.664 3.409 3.921 . 0 0 "[ . 1 . 2]" 1
10 1 5 ALA MB 1 46 LEU MD2 . . 6.280 2.743 2.153 4.252 . 0 0 "[ . 1 . 2]" 1
11 1 5 ALA O 1 9 GLU H . . 2.400 1.975 1.855 2.055 . 0 0 "[ . 1 . 2]" 1
12 1 5 ALA O 1 9 GLU N . . 3.300 2.882 2.787 2.945 . 0 0 "[ . 1 . 2]" 1
13 1 6 ILE H 1 6 ILE HG13 . . 5.710 4.379 4.356 4.412 . 0 0 "[ . 1 . 2]" 1
14 1 6 ILE H 1 7 LYS H . . 5.570 2.621 2.543 2.754 . 0 0 "[ . 1 . 2]" 1
15 1 6 ILE H 1 46 LEU HA . . 5.570 5.462 5.255 5.596 0.026 17 0 "[ . 1 . 2]" 1
16 1 6 ILE H 1 46 LEU HB2 . . 5.020 4.528 4.232 4.920 . 0 0 "[ . 1 . 2]" 1
17 1 6 ILE H 1 46 LEU HB3 . . 4.410 3.471 3.306 3.622 . 0 0 "[ . 1 . 2]" 1
18 1 6 ILE H 1 46 LEU MD1 . . 6.420 4.488 3.357 5.015 . 0 0 "[ . 1 . 2]" 1
19 1 6 ILE HA 1 6 ILE MD . . 4.670 3.703 3.677 3.729 . 0 0 "[ . 1 . 2]" 1
20 1 6 ILE HA 1 6 ILE HG13 . . 4.430 2.313 2.282 2.365 . 0 0 "[ . 1 . 2]" 1
21 1 6 ILE HA 1 7 LYS H . . 5.740 3.594 3.569 3.620 . 0 0 "[ . 1 . 2]" 1
22 1 6 ILE HA 1 8 LYS H . . 5.780 4.410 4.304 4.467 . 0 0 "[ . 1 . 2]" 1
23 1 6 ILE HA 1 9 GLU H . . 4.560 3.225 3.114 3.283 . 0 0 "[ . 1 . 2]" 1
24 1 6 ILE HA 1 9 GLU HG3 . . 5.100 3.678 3.319 4.993 . 0 0 "[ . 1 . 2]" 1
25 1 6 ILE HA 1 10 ARG H . . 5.410 4.025 3.867 4.171 . 0 0 "[ . 1 . 2]" 1
26 1 6 ILE HA 1 46 LEU HB3 . . 3.560 2.947 2.482 3.255 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE HA 1 49 LEU H . . 6.300 6.250 6.129 6.323 0.023 7 0 "[ . 1 . 2]" 1
28 1 6 ILE HA 1 49 LEU HB2 . . 4.930 4.884 4.636 5.042 0.112 6 0 "[ . 1 . 2]" 1
29 1 6 ILE HA 1 49 LEU HB3 . . 4.020 4.093 4.054 4.129 0.109 8 0 "[ . 1 . 2]" 1
30 1 6 ILE HA 1 50 GLN H . . 5.990 6.036 5.962 6.098 0.108 11 0 "[ . 1 . 2]" 1
31 1 6 ILE HB 1 45 GLU HA . . 5.780 5.247 5.044 5.393 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE HB 1 46 LEU H . . 3.780 3.845 3.777 3.915 0.135 5 0 "[ . 1 . 2]" 1
33 1 6 ILE HB 1 46 LEU HB2 . . 4.010 3.531 3.125 3.879 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE HB 1 46 LEU MD2 . . 5.340 3.388 2.772 4.561 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE HB 1 49 LEU HB2 . . 5.490 5.296 4.967 5.520 0.030 18 0 "[ . 1 . 2]" 1
36 1 6 ILE MD 1 45 GLU HA . . 5.570 3.431 3.203 3.608 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE MD 1 46 LEU H . . 4.930 3.036 2.896 3.269 . 0 0 "[ . 1 . 2]" 1
38 1 6 ILE MD 1 46 LEU HA . . 3.970 2.449 2.189 3.330 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE MD 1 46 LEU HB3 . . 4.960 2.945 2.626 3.199 . 0 0 "[ . 1 . 2]" 1
40 1 6 ILE MD 1 49 LEU HB2 . . 5.070 3.026 2.627 3.689 . 0 0 "[ . 1 . 2]" 1
41 1 6 ILE MD 1 49 LEU HB3 . . 5.820 3.857 3.376 4.292 . 0 0 "[ . 1 . 2]" 1
42 1 6 ILE HG12 1 41 CYS HA . . 5.610 2.746 2.245 3.801 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE HG12 1 46 LEU HA . . 4.790 4.221 4.005 4.799 0.009 7 0 "[ . 1 . 2]" 1
44 1 6 ILE HG12 1 46 LEU HB3 . . 5.010 4.454 4.156 4.803 . 0 0 "[ . 1 . 2]" 1
45 1 6 ILE HG12 1 49 LEU HB3 . . 5.550 4.565 4.212 5.125 . 0 0 "[ . 1 . 2]" 1
46 1 6 ILE HG13 1 9 GLU H . . 5.390 5.021 4.876 5.151 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE HG13 1 9 GLU QB . . 5.640 3.374 3.185 3.549 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE HG13 1 10 ARG H . . 4.800 4.694 4.575 4.811 0.011 20 0 "[ . 1 . 2]" 1
49 1 6 ILE HG13 1 41 CYS HA . . 3.980 3.884 3.566 4.127 0.147 7 0 "[ . 1 . 2]" 1
50 1 6 ILE HG13 1 46 LEU HA . . 4.440 2.611 2.422 3.037 . 0 0 "[ . 1 . 2]" 1
51 1 6 ILE MG 1 7 LYS H . . 4.840 2.152 2.072 2.331 . 0 0 "[ . 1 . 2]" 1
52 1 6 ILE MG 1 8 LYS H . . 5.550 4.312 4.220 4.478 . 0 0 "[ . 1 . 2]" 1
53 1 6 ILE MG 1 45 GLU HA . . 6.820 5.482 5.203 5.670 . 0 0 "[ . 1 . 2]" 1
54 1 6 ILE MG 1 46 LEU HA . . 6.040 4.650 4.415 5.120 . 0 0 "[ . 1 . 2]" 1
55 1 6 ILE MG 1 46 LEU HB3 . . 4.640 3.763 3.633 3.853 . 0 0 "[ . 1 . 2]" 1
56 1 6 ILE O 1 10 ARG H . . 2.200 1.968 1.880 2.092 . 0 0 "[ . 1 . 2]" 1
57 1 6 ILE O 1 10 ARG N . . 3.300 2.821 2.750 2.929 . 0 0 "[ . 1 . 2]" 1
58 1 7 LYS H 1 8 LYS HA . . 5.340 5.146 5.102 5.194 . 0 0 "[ . 1 . 2]" 1
59 1 7 LYS H 1 8 LYS QB . . 5.800 4.530 4.322 4.683 . 0 0 "[ . 1 . 2]" 1
60 1 7 LYS H 1 10 ARG H . . 5.380 4.511 4.473 4.562 . 0 0 "[ . 1 . 2]" 1
61 1 7 LYS H 1 11 GLN H . . 6.250 6.071 5.877 6.154 . 0 0 "[ . 1 . 2]" 1
62 1 7 LYS H 1 46 LEU HB3 . . 5.600 5.561 5.398 5.665 0.065 3 0 "[ . 1 . 2]" 1
63 1 7 LYS HA 1 10 ARG H . . 5.650 3.189 3.110 3.306 . 0 0 "[ . 1 . 2]" 1
64 1 7 LYS HA 1 11 GLN H . . 4.290 4.241 3.962 4.322 0.032 12 0 "[ . 1 . 2]" 1
65 1 7 LYS QB 1 8 LYS H . . 4.280 2.595 2.536 2.701 . 0 0 "[ . 1 . 2]" 1
66 1 7 LYS O 1 11 GLN H . . 2.200 2.063 1.840 2.166 . 0 0 "[ . 1 . 2]" 1
67 1 7 LYS O 1 11 GLN N . . 3.300 2.978 2.799 3.091 . 0 0 "[ . 1 . 2]" 1
68 1 8 LYS H 1 8 LYS QE . . 6.810 5.021 3.971 6.157 . 0 0 "[ . 1 . 2]" 1
69 1 8 LYS H 1 9 GLU H . . 5.410 2.606 2.551 2.682 . 0 0 "[ . 1 . 2]" 1
70 1 8 LYS HA 1 11 GLN H . . 3.880 3.285 3.196 3.440 . 0 0 "[ . 1 . 2]" 1
71 1 8 LYS HA 1 12 LYS H . . 4.700 4.615 4.385 4.700 . 0 0 "[ . 1 . 2]" 1
72 1 8 LYS HA 1 12 LYS QB . . 6.900 5.577 4.891 6.084 . 0 0 "[ . 1 . 2]" 1
73 1 8 LYS O 1 12 LYS H . . 2.460 2.420 2.253 2.483 0.023 20 0 "[ . 1 . 2]" 1
74 1 8 LYS O 1 12 LYS N . . 3.300 3.107 3.000 3.183 . 0 0 "[ . 1 . 2]" 1
75 1 9 GLU H 1 9 GLU HG3 . . 4.810 3.114 2.479 4.508 . 0 0 "[ . 1 . 2]" 1
76 1 9 GLU H 1 10 ARG H . . 4.680 2.539 2.494 2.582 . 0 0 "[ . 1 . 2]" 1
77 1 9 GLU HA 1 10 ARG H . . 4.460 3.592 3.578 3.606 . 0 0 "[ . 1 . 2]" 1
78 1 9 GLU HA 1 11 GLN H . . 4.520 4.321 4.256 4.430 . 0 0 "[ . 1 . 2]" 1
79 1 9 GLU HA 1 11 GLN QG . . 7.680 6.356 5.853 6.692 . 0 0 "[ . 1 . 2]" 1
80 1 9 GLU HA 1 12 LYS QB . . 5.350 2.688 2.438 2.947 . 0 0 "[ . 1 . 2]" 1
81 1 9 GLU QB 1 10 ARG H . . 3.480 2.754 2.666 2.823 . 0 0 "[ . 1 . 2]" 1
82 1 9 GLU QB 1 46 LEU HB2 . . 5.090 4.220 3.938 4.738 . 0 0 "[ . 1 . 2]" 1
83 1 9 GLU HG3 1 12 LYS QB . . 7.230 5.257 3.843 6.048 . 0 0 "[ . 1 . 2]" 1
84 1 9 GLU O 1 13 LEU H . . 2.200 1.750 1.700 1.976 . 0 0 "[ . 1 . 2]" 1
85 1 9 GLU O 1 13 LEU N . . 3.300 2.735 2.697 2.810 . 0 0 "[ . 1 . 2]" 1
86 1 10 ARG H 1 10 ARG QG . . 4.870 3.989 3.945 4.016 . 0 0 "[ . 1 . 2]" 1
87 1 10 ARG H 1 11 GLN H . . 4.690 2.665 2.634 2.701 . 0 0 "[ . 1 . 2]" 1
88 1 10 ARG H 1 13 LEU H . . 5.380 4.712 4.570 4.804 . 0 0 "[ . 1 . 2]" 1
89 1 10 ARG HA 1 13 LEU MD2 . . 5.660 3.749 3.451 4.943 . 0 0 "[ . 1 . 2]" 1
90 1 10 ARG QB 1 11 GLN H . . 4.200 2.608 2.538 2.656 . 0 0 "[ . 1 . 2]" 1
91 1 10 ARG QB 1 41 CYS H . . 7.690 5.291 4.787 5.814 . 0 0 "[ . 1 . 2]" 1
92 1 10 ARG QB 1 41 CYS HB2 . . 5.410 3.187 2.748 3.753 . 0 0 "[ . 1 . 2]" 1
93 1 10 ARG QB 1 41 CYS HB3 . . 6.180 4.411 4.088 5.081 . 0 0 "[ . 1 . 2]" 1
94 1 10 ARG QG 1 38 GLU HA . . 6.140 4.305 3.696 5.320 . 0 0 "[ . 1 . 2]" 1
95 1 10 ARG O 1 14 ARG H . . 2.200 1.732 1.684 1.779 . 0 0 "[ . 1 . 2]" 1
96 1 10 ARG O 1 14 ARG N . . 3.300 2.703 2.673 2.723 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLN H 1 11 GLN HB2 . . 4.330 2.443 2.421 2.537 . 0 0 "[ . 1 . 2]" 1
98 1 11 GLN H 1 11 GLN QG . . 5.060 3.202 2.256 4.108 . 0 0 "[ . 1 . 2]" 1
99 1 11 GLN H 1 12 LYS H . . 4.670 2.611 2.553 2.705 . 0 0 "[ . 1 . 2]" 1
100 1 11 GLN H 1 12 LYS HA . . 5.270 5.167 5.113 5.253 . 0 0 "[ . 1 . 2]" 1
101 1 11 GLN H 1 13 LEU H . . 5.100 4.406 3.982 4.588 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLN HA 1 15 ASN H . . 4.000 3.630 3.475 3.781 . 0 0 "[ . 1 . 2]" 1
103 1 11 GLN HA 1 15 ASN HB2 . . 4.900 4.601 4.167 5.080 0.180 4 0 "[ . 1 . 2]" 1
104 1 11 GLN QG 1 12 LYS QB . . 7.960 5.472 4.688 6.168 . 0 0 "[ . 1 . 2]" 1
105 1 11 GLN O 1 15 ASN H . . 2.400 2.263 1.995 2.393 . 0 0 "[ . 1 . 2]" 1
106 1 11 GLN O 1 15 ASN N . . 3.300 3.194 2.957 3.300 . 0 0 "[ . 1 . 2]" 1
107 1 12 LYS H 1 12 LYS QB . . 3.850 2.412 2.340 2.529 . 0 0 "[ . 1 . 2]" 1
108 1 12 LYS H 1 12 LYS QG . . 4.870 3.184 2.449 4.083 . 0 0 "[ . 1 . 2]" 1
109 1 12 LYS H 1 13 LEU H . . 4.620 2.369 2.109 2.524 . 0 0 "[ . 1 . 2]" 1
110 1 12 LYS H 1 13 LEU HA . . 5.390 4.943 4.791 5.044 . 0 0 "[ . 1 . 2]" 1
111 1 12 LYS HA 1 13 LEU H . . 5.060 3.593 3.492 3.624 . 0 0 "[ . 1 . 2]" 1
112 1 12 LYS HA 1 15 ASN H . . 4.000 3.758 3.601 3.925 . 0 0 "[ . 1 . 2]" 1
113 1 12 LYS HA 1 15 ASN HA . . 5.860 5.726 5.520 5.901 0.041 18 0 "[ . 1 . 2]" 1
114 1 12 LYS HA 1 15 ASN HB2 . . 4.480 3.524 2.787 4.104 . 0 0 "[ . 1 . 2]" 1
115 1 12 LYS HA 1 15 ASN HB3 . . 4.470 3.643 2.852 4.614 0.144 19 0 "[ . 1 . 2]" 1
116 1 12 LYS HA 1 16 SER H . . 4.830 3.898 3.809 4.054 . 0 0 "[ . 1 . 2]" 1
117 1 12 LYS QB 1 13 LEU H . . 4.540 2.306 2.192 2.776 . 0 0 "[ . 1 . 2]" 1
118 1 12 LYS QB 1 15 ASN HB2 . . 6.590 5.407 4.593 5.952 . 0 0 "[ . 1 . 2]" 1
119 1 12 LYS QB 1 53 ASN HB2 . . 6.740 4.865 4.522 5.435 . 0 0 "[ . 1 . 2]" 1
120 1 12 LYS QG 1 13 LEU HA . . 6.370 4.802 3.321 5.741 . 0 0 "[ . 1 . 2]" 1
121 1 12 LYS O 1 16 SER H . . 2.350 1.857 1.785 2.283 . 0 0 "[ . 1 . 2]" 1
122 1 12 LYS O 1 16 SER N . . 3.300 2.835 2.770 3.215 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU H 1 13 LEU MD2 . . 5.480 3.998 1.973 4.375 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU HA 1 14 ARG H . . 5.220 3.647 3.630 3.670 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU HA 1 16 SER H . . 4.720 3.591 3.468 3.764 . 0 0 "[ . 1 . 2]" 1
126 1 13 LEU HA 1 17 CYS H . . 5.800 3.933 3.801 4.122 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU HB2 1 49 LEU HB2 . . 6.710 6.446 6.229 6.756 0.046 7 0 "[ . 1 . 2]" 1
128 1 13 LEU HB2 1 49 LEU MD2 . . 5.810 3.221 2.188 4.105 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU HB3 1 14 ARG H . . 4.860 2.600 2.263 3.424 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU HB3 1 49 LEU HB2 . . 6.880 6.743 6.379 7.104 0.224 11 0 "[ . 1 . 2]" 1
131 1 13 LEU HB3 1 49 LEU MD2 . . 5.430 3.501 2.540 4.682 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU HB3 1 53 ASN HA . . 5.690 5.629 5.284 5.954 0.264 10 0 "[ . 1 . 2]" 1
133 1 13 LEU MD1 1 17 CYS H . . 7.200 5.615 5.180 6.463 . 0 0 "[ . 1 . 2]" 1
134 1 13 LEU MD1 1 37 VAL HB . . 7.700 5.594 4.387 6.813 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU MD1 1 53 ASN H . . 5.570 3.157 2.788 3.544 . 0 0 "[ . 1 . 2]" 1
136 1 13 LEU MD1 1 54 GLU H . . 6.970 5.030 4.568 5.351 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU MD1 1 56 LEU HB2 . . 7.860 5.344 4.748 6.974 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU MD1 1 56 LEU HB3 . . 7.040 4.326 3.681 5.768 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU MD2 1 14 ARG H . . 5.560 3.270 2.859 4.897 . 0 0 "[ . 1 . 2]" 1
140 1 13 LEU MD2 1 17 CYS H . . 7.300 4.256 3.779 5.713 . 0 0 "[ . 1 . 2]" 1
141 1 13 LEU MD2 1 53 ASN HA . . 6.490 4.777 2.375 5.329 . 0 0 "[ . 1 . 2]" 1
142 1 13 LEU MD2 1 53 ASN HB2 . . 6.790 4.858 1.910 5.585 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU MD2 1 56 LEU H . . 8.860 6.625 4.755 7.205 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU MD2 1 56 LEU HG . . 7.560 5.818 4.077 6.350 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU O 1 17 CYS H . . 2.320 1.838 1.794 1.906 . 0 0 "[ . 1 . 2]" 1
146 1 13 LEU O 1 17 CYS N . . 3.300 2.724 2.690 2.783 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG H 1 15 ASN H . . 4.730 2.860 2.809 2.889 . 0 0 "[ . 1 . 2]" 1
148 1 14 ARG H 1 16 SER H . . 5.470 4.300 4.240 4.405 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG H 1 37 VAL HB . . 7.040 6.502 5.608 7.167 0.127 5 0 "[ . 1 . 2]" 1
150 1 14 ARG H 1 37 VAL MG2 . . 6.710 4.739 3.721 5.884 . 0 0 "[ . 1 . 2]" 1
151 1 14 ARG H 1 49 LEU MD2 . . 7.010 4.974 4.402 5.514 . 0 0 "[ . 1 . 2]" 1
152 1 14 ARG HA 1 15 ASN H . . 4.800 3.636 3.623 3.650 . 0 0 "[ . 1 . 2]" 1
153 1 14 ARG HA 1 15 ASN HB2 . . 5.910 5.902 5.810 5.960 0.050 12 0 "[ . 1 . 2]" 1
154 1 14 ARG HA 1 16 SER H . . 5.200 4.568 4.481 4.692 . 0 0 "[ . 1 . 2]" 1
155 1 14 ARG HA 1 37 VAL MG2 . . 6.590 4.425 3.801 5.556 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG QB 1 15 ASN H . . 4.400 2.477 2.309 3.493 . 0 0 "[ . 1 . 2]" 1
157 1 14 ARG QB 1 17 CYS H . . 6.030 4.871 4.686 5.035 . 0 0 "[ . 1 . 2]" 1
158 1 14 ARG O 1 18 LYS H . . 2.320 1.941 1.779 2.090 . 0 0 "[ . 1 . 2]" 1
159 1 14 ARG O 1 18 LYS N . . 3.300 2.906 2.746 3.057 . 0 0 "[ . 1 . 2]" 1
160 1 15 ASN H 1 15 ASN HB3 . . 4.220 3.042 2.602 3.653 . 0 0 "[ . 1 . 2]" 1
161 1 15 ASN H 1 16 SER H . . 4.730 2.865 2.817 2.955 . 0 0 "[ . 1 . 2]" 1
162 1 15 ASN H 1 17 CYS H . . 5.260 4.117 4.039 4.216 . 0 0 "[ . 1 . 2]" 1
163 1 15 ASN HA 1 16 SER H . . 5.460 3.644 3.622 3.665 . 0 0 "[ . 1 . 2]" 1
164 1 15 ASN HA 1 18 LYS H . . 4.720 3.586 3.445 3.704 . 0 0 "[ . 1 . 2]" 1
165 1 15 ASN HB2 1 16 SER HA . . 5.580 5.109 4.420 5.573 . 0 0 "[ . 1 . 2]" 1
166 1 15 ASN HB3 1 16 SER H . . 4.940 2.970 2.512 3.618 . 0 0 "[ . 1 . 2]" 1
167 1 15 ASN O 1 19 THR H . . 2.310 2.098 1.935 2.313 0.003 14 0 "[ . 1 . 2]" 1
168 1 15 ASN O 1 19 THR N . . 3.300 3.048 2.909 3.272 . 0 0 "[ . 1 . 2]" 1
169 1 16 SER H 1 17 CYS H . . 4.940 2.647 2.561 2.741 . 0 0 "[ . 1 . 2]" 1
170 1 16 SER H 1 17 CYS HA . . 5.400 5.169 5.089 5.262 . 0 0 "[ . 1 . 2]" 1
171 1 16 SER H 1 18 LYS H . . 5.670 4.379 4.146 4.503 . 0 0 "[ . 1 . 2]" 1
172 1 16 SER HA 1 17 CYS H . . 5.090 3.591 3.569 3.614 . 0 0 "[ . 1 . 2]" 1
173 1 16 SER HA 1 18 LYS H . . 4.800 4.562 4.272 4.652 . 0 0 "[ . 1 . 2]" 1
174 1 16 SER QB 1 17 CYS H . . 4.820 2.863 2.676 3.658 . 0 0 "[ . 1 . 2]" 1
175 1 16 SER QB 1 17 CYS HB2 . . 6.540 4.400 4.136 5.236 . 0 0 "[ . 1 . 2]" 1
176 1 16 SER QB 1 17 CYS HB3 . . 7.000 5.094 4.879 5.812 . 0 0 "[ . 1 . 2]" 1
177 1 16 SER QB 1 19 THR H . . 5.700 4.929 4.743 5.213 . 0 0 "[ . 1 . 2]" 1
178 1 16 SER QB 1 20 TRP H . . 6.430 4.753 4.467 5.441 . 0 0 "[ . 1 . 2]" 1
179 1 16 SER O 1 20 TRP H . . 2.430 2.056 1.870 2.381 . 0 0 "[ . 1 . 2]" 1
180 1 16 SER O 1 20 TRP N . . 3.300 2.904 2.782 3.141 . 0 0 "[ . 1 . 2]" 1
181 1 17 CYS H 1 18 LYS H . . 4.880 2.724 2.531 2.821 . 0 0 "[ . 1 . 2]" 1
182 1 17 CYS H 1 21 ASN H . . 6.600 6.596 6.516 6.674 0.074 17 0 "[ . 1 . 2]" 1
183 1 17 CYS HA 1 18 LYS H . . 4.700 3.660 3.585 3.687 . 0 0 "[ . 1 . 2]" 1
184 1 17 CYS HA 1 20 TRP H . . 5.400 3.475 3.222 3.663 . 0 0 "[ . 1 . 2]" 1
185 1 17 CYS HA 1 20 TRP HD1 . . 4.050 4.059 3.740 4.160 0.110 7 0 "[ . 1 . 2]" 1
186 1 17 CYS HA 1 21 ASN HB2 . . 5.080 4.843 4.381 5.178 0.098 7 0 "[ . 1 . 2]" 1
187 1 17 CYS HA 1 65 LYS H . . 6.730 6.670 6.227 6.908 0.178 5 0 "[ . 1 . 2]" 1
188 1 17 CYS HB2 1 56 LEU MD1 . . 7.700 4.835 3.807 5.806 . 0 0 "[ . 1 . 2]" 1
189 1 17 CYS HB3 1 18 LYS H . . 5.300 2.687 2.529 3.767 . 0 0 "[ . 1 . 2]" 1
190 1 19 THR H 1 21 ASN H . . 5.170 4.164 4.021 4.355 . 0 0 "[ . 1 . 2]" 1
191 1 19 THR HA 1 20 TRP H . . 4.930 3.590 3.493 3.631 . 0 0 "[ . 1 . 2]" 1
192 1 19 THR HB 1 20 TRP H . . 5.490 3.236 2.711 4.244 . 0 0 "[ . 1 . 2]" 1
193 1 19 THR HB 1 20 TRP HA . . 5.870 4.501 4.365 5.731 . 0 0 "[ . 1 . 2]" 1
194 1 19 THR MG 1 20 TRP HA . . 6.510 4.100 3.462 5.469 . 0 0 "[ . 1 . 2]" 1
195 1 20 TRP H 1 21 ASN H . . 5.340 2.666 2.500 2.792 . 0 0 "[ . 1 . 2]" 1
196 1 20 TRP HA 1 20 TRP HD1 . . 4.880 4.690 4.470 4.837 . 0 0 "[ . 1 . 2]" 1
197 1 20 TRP HA 1 20 TRP HE3 . . 3.820 2.256 2.083 2.808 . 0 0 "[ . 1 . 2]" 1
198 1 20 TRP HA 1 21 ASN H . . 3.980 3.090 3.033 3.142 . 0 0 "[ . 1 . 2]" 1
199 1 20 TRP HA 1 23 PHE QE . . 6.000 3.522 2.635 3.919 . 0 0 "[ . 1 . 2]" 1
200 1 20 TRP HA 1 65 LYS HB2 . . 6.860 5.732 5.236 6.293 . 0 0 "[ . 1 . 2]" 1
201 1 20 TRP HB2 1 20 TRP HD1 . . 4.070 2.612 2.592 2.666 . 0 0 "[ . 1 . 2]" 1
202 1 20 TRP HB2 1 21 ASN H . . 5.960 4.132 4.109 4.152 . 0 0 "[ . 1 . 2]" 1
203 1 20 TRP HB2 1 21 ASN HA . . 5.460 4.425 4.318 4.510 . 0 0 "[ . 1 . 2]" 1
204 1 20 TRP HB2 1 65 LYS HG3 . . 6.370 5.378 4.160 6.318 . 0 0 "[ . 1 . 2]" 1
205 1 20 TRP HB3 1 20 TRP HE3 . . 4.300 2.926 2.623 3.130 . 0 0 "[ . 1 . 2]" 1
206 1 20 TRP HB3 1 61 LYS HB2 . . 3.540 2.683 1.923 3.626 0.086 9 0 "[ . 1 . 2]" 1
207 1 20 TRP HD1 1 61 LYS HA . . 5.000 4.898 4.425 5.068 0.068 4 0 "[ . 1 . 2]" 1
208 1 20 TRP HD1 1 61 LYS HB2 . . 5.850 5.721 5.272 5.998 0.148 10 0 "[ . 1 . 2]" 1
209 1 20 TRP HE3 1 23 PHE QE . . 6.100 3.321 2.504 4.215 . 0 0 "[ . 1 . 2]" 1
210 1 20 TRP HE3 1 61 LYS QG . . 6.700 4.264 3.528 4.980 . 0 0 "[ . 1 . 2]" 1
211 1 21 ASN H 1 22 HIS H . . 5.230 3.100 3.034 3.176 . 0 0 "[ . 1 . 2]" 1
212 1 21 ASN H 1 23 PHE H . . 6.380 3.505 3.285 4.194 . 0 0 "[ . 1 . 2]" 1
213 1 21 ASN HA 1 22 HIS H . . 5.180 3.635 3.606 3.679 . 0 0 "[ . 1 . 2]" 1
214 1 21 ASN HA 1 62 GLU HA . . 5.930 5.677 5.333 6.012 0.082 7 0 "[ . 1 . 2]" 1
215 1 21 ASN HA 1 65 LYS HA . . 5.620 4.881 4.423 5.477 . 0 0 "[ . 1 . 2]" 1
216 1 21 ASN HB3 1 22 HIS HE1 . . 6.020 5.613 3.870 6.114 0.094 18 0 "[ . 1 . 2]" 1
217 1 21 ASN HB3 1 30 ARG HG3 . . 5.050 4.245 3.328 4.872 . 0 0 "[ . 1 . 2]" 1
218 1 22 HIS H 1 23 PHE H . . 6.600 1.704 1.622 1.844 . 0 0 "[ . 1 . 2]" 1
219 1 22 HIS H 1 24 SER H . . 5.800 3.243 2.999 3.813 . 0 0 "[ . 1 . 2]" 1
220 1 22 HIS H 1 30 ARG HD2 . . 5.810 4.786 2.653 5.979 0.169 6 0 "[ . 1 . 2]" 1
221 1 23 PHE H 1 24 SER H . . 4.820 2.868 2.618 2.972 . 0 0 "[ . 1 . 2]" 1
222 1 23 PHE HZ 1 61 LYS HB3 . . 7.000 6.129 4.779 7.011 0.011 3 0 "[ . 1 . 2]" 1
223 1 24 SER H 1 25 ASP HA . . 5.470 5.083 4.904 5.330 . 0 0 "[ . 1 . 2]" 1
224 1 25 ASP HA 1 26 ASN H . . 4.970 3.308 2.852 3.548 . 0 0 "[ . 1 . 2]" 1
225 1 25 ASP HA 1 27 GLU QG . . 7.600 4.297 3.355 6.358 . 0 0 "[ . 1 . 2]" 1
226 1 27 GLU HA 1 29 GLU H . . 5.450 3.795 3.535 4.157 . 0 0 "[ . 1 . 2]" 1
227 1 27 GLU HA 1 30 ARG HD3 . . 4.950 3.023 1.931 5.079 0.129 6 0 "[ . 1 . 2]" 1
228 1 27 GLU O 1 31 VAL H . . 2.400 1.992 1.775 2.112 . 0 0 "[ . 1 . 2]" 1
229 1 27 GLU O 1 31 VAL N . . 3.300 2.723 2.666 2.822 . 0 0 "[ . 1 . 2]" 1
230 1 28 ALA H 1 29 GLU H . . 4.480 2.837 2.764 2.923 . 0 0 "[ . 1 . 2]" 1
231 1 28 ALA HA 1 31 VAL H . . 4.460 3.095 2.944 3.409 . 0 0 "[ . 1 . 2]" 1
232 1 28 ALA HA 1 31 VAL MG1 . . 5.790 3.912 3.219 4.012 . 0 0 "[ . 1 . 2]" 1
233 1 28 ALA HA 1 32 LYS H . . 5.870 4.410 4.244 4.486 . 0 0 "[ . 1 . 2]" 1
234 1 28 ALA MB 1 29 GLU H . . 4.440 2.748 2.674 2.862 . 0 0 "[ . 1 . 2]" 1
235 1 28 ALA MB 1 29 GLU HA . . 4.920 3.755 3.740 3.781 . 0 0 "[ . 1 . 2]" 1
236 1 28 ALA MB 1 31 VAL MG1 . . 7.730 4.629 4.355 4.705 . 0 0 "[ . 1 . 2]" 1
237 1 28 ALA O 1 32 LYS H . . 2.550 2.419 2.374 2.461 . 0 0 "[ . 1 . 2]" 1
238 1 28 ALA O 1 32 LYS N . . 3.550 3.357 3.294 3.420 . 0 0 "[ . 1 . 2]" 1
239 1 29 GLU H 1 29 GLU QB . . 3.430 2.338 2.292 2.435 . 0 0 "[ . 1 . 2]" 1
240 1 29 GLU H 1 29 GLU HG3 . . 4.760 4.164 2.462 4.569 . 0 0 "[ . 1 . 2]" 1
241 1 29 GLU H 1 30 ARG H . . 4.150 2.697 2.569 2.748 . 0 0 "[ . 1 . 2]" 1
242 1 29 GLU HA 1 31 VAL H . . 4.700 4.049 3.977 4.386 . 0 0 "[ . 1 . 2]" 1
243 1 29 GLU HA 1 33 MET H . . 5.230 4.739 4.487 4.803 . 0 0 "[ . 1 . 2]" 1
244 1 29 GLU O 1 33 MET H . . 2.400 2.396 2.200 2.436 0.036 11 0 "[ . 1 . 2]" 1
245 1 29 GLU O 1 33 MET N . . 3.450 3.374 3.167 3.415 . 0 0 "[ . 1 . 2]" 1
246 1 30 ARG H 1 30 ARG HD2 . . 5.240 3.547 2.352 4.857 . 0 0 "[ . 1 . 2]" 1
247 1 30 ARG H 1 30 ARG HG2 . . 5.320 3.742 3.108 4.026 . 0 0 "[ . 1 . 2]" 1
248 1 30 ARG H 1 30 ARG HG3 . . 4.960 2.602 1.952 3.113 . 0 0 "[ . 1 . 2]" 1
249 1 30 ARG H 1 32 LYS H . . 5.360 4.778 4.664 4.886 . 0 0 "[ . 1 . 2]" 1
250 1 30 ARG H 1 34 MET H . . 5.920 5.859 5.785 5.945 0.025 16 0 "[ . 1 . 2]" 1
251 1 30 ARG HA 1 31 VAL H . . 5.540 3.578 3.538 3.666 . 0 0 "[ . 1 . 2]" 1
252 1 30 ARG HA 1 33 MET H . . 4.520 3.189 3.056 3.413 . 0 0 "[ . 1 . 2]" 1
253 1 30 ARG HA 1 33 MET HB2 . . 4.250 2.422 2.326 2.608 . 0 0 "[ . 1 . 2]" 1
254 1 30 ARG HA 1 33 MET HB3 . . 4.210 4.137 3.791 4.315 0.105 19 0 "[ . 1 . 2]" 1
255 1 30 ARG HA 1 33 MET HG3 . . 5.180 3.558 3.241 4.097 . 0 0 "[ . 1 . 2]" 1
256 1 30 ARG HA 1 34 MET H . . 4.970 3.738 3.578 3.911 . 0 0 "[ . 1 . 2]" 1
257 1 30 ARG HA 1 34 MET HG3 . . 5.150 4.048 3.784 5.161 0.011 6 0 "[ . 1 . 2]" 1
258 1 30 ARG HB2 1 31 VAL H . . 4.860 3.157 2.838 3.260 . 0 0 "[ . 1 . 2]" 1
259 1 30 ARG HB2 1 34 MET H . . 5.540 5.228 5.133 5.435 . 0 0 "[ . 1 . 2]" 1
260 1 30 ARG HB3 1 30 ARG HD3 . . 4.340 3.475 2.617 3.839 . 0 0 "[ . 1 . 2]" 1
261 1 30 ARG O 1 34 MET H . . 2.200 1.704 1.676 1.748 . 0 0 "[ . 1 . 2]" 1
262 1 30 ARG O 1 34 MET N . . 3.300 2.670 2.650 2.697 . 0 0 "[ . 1 . 2]" 1
263 1 31 VAL H 1 31 VAL HB . . 4.000 2.505 2.430 3.691 . 0 0 "[ . 1 . 2]" 1
264 1 31 VAL H 1 31 VAL MG1 . . 4.510 3.710 2.502 3.780 . 0 0 "[ . 1 . 2]" 1
265 1 31 VAL H 1 32 LYS H . . 4.540 2.743 2.692 2.792 . 0 0 "[ . 1 . 2]" 1
266 1 31 VAL HA 1 32 LYS H . . 5.000 3.660 3.642 3.674 . 0 0 "[ . 1 . 2]" 1
267 1 31 VAL HA 1 33 MET H . . 5.650 4.445 4.311 4.597 . 0 0 "[ . 1 . 2]" 1
268 1 31 VAL HA 1 34 MET H . . 4.610 3.329 3.051 3.549 . 0 0 "[ . 1 . 2]" 1
269 1 31 VAL HA 1 35 GLU H . . 5.440 3.986 3.815 4.109 . 0 0 "[ . 1 . 2]" 1
270 1 31 VAL HB 1 32 LYS H . . 5.200 2.690 2.582 3.860 . 0 0 "[ . 1 . 2]" 1
271 1 31 VAL HB 1 33 MET H . . 5.710 5.071 4.999 5.655 . 0 0 "[ . 1 . 2]" 1
272 1 31 VAL HB 1 35 GLU H . . 6.050 5.614 4.553 5.744 . 0 0 "[ . 1 . 2]" 1
273 1 31 VAL MG1 1 32 LYS H . . 5.540 3.300 3.197 4.092 . 0 0 "[ . 1 . 2]" 1
274 1 31 VAL MG2 1 32 LYS H . . 5.540 3.921 2.146 4.038 . 0 0 "[ . 1 . 2]" 1
275 1 31 VAL MG2 1 34 MET H . . 6.830 4.998 4.865 5.146 . 0 0 "[ . 1 . 2]" 1
276 1 31 VAL MG2 1 35 GLU H . . 6.920 5.452 4.862 5.575 . 0 0 "[ . 1 . 2]" 1
277 1 31 VAL O 1 35 GLU H . . 2.400 1.878 1.809 1.949 . 0 0 "[ . 1 . 2]" 1
278 1 31 VAL O 1 35 GLU N . . 3.300 2.816 2.749 2.898 . 0 0 "[ . 1 . 2]" 1
279 1 32 LYS H 1 33 MET H . . 4.690 2.713 2.670 2.748 . 0 0 "[ . 1 . 2]" 1
280 1 32 LYS H 1 33 MET HB2 . . 5.340 4.921 4.678 4.971 . 0 0 "[ . 1 . 2]" 1
281 1 32 LYS H 1 34 MET H . . 5.650 4.213 4.114 4.305 . 0 0 "[ . 1 . 2]" 1
282 1 32 LYS H 1 35 GLU H . . 5.410 4.670 4.606 4.761 . 0 0 "[ . 1 . 2]" 1
283 1 32 LYS HA 1 33 MET H . . 4.430 3.591 3.575 3.607 . 0 0 "[ . 1 . 2]" 1
284 1 32 LYS HA 1 35 GLU H . . 4.510 3.310 3.213 3.429 . 0 0 "[ . 1 . 2]" 1
285 1 32 LYS HA 1 35 GLU HB3 . . 5.520 3.578 2.757 4.580 . 0 0 "[ . 1 . 2]" 1
286 1 32 LYS HB2 1 33 MET H . . 4.080 3.142 2.625 3.938 . 0 0 "[ . 1 . 2]" 1
287 1 32 LYS HB3 1 33 MET H . . 4.280 3.204 2.520 3.664 . 0 0 "[ . 1 . 2]" 1
288 1 32 LYS O 1 36 GLU H . . 2.540 2.030 1.924 2.099 . 0 0 "[ . 1 . 2]" 1
289 1 32 LYS O 1 36 GLU N . . 3.300 2.979 2.865 3.042 . 0 0 "[ . 1 . 2]" 1
290 1 33 MET H 1 33 MET HB3 . . 4.140 3.665 3.498 3.692 . 0 0 "[ . 1 . 2]" 1
291 1 33 MET H 1 33 MET HG2 . . 4.420 3.625 3.335 3.753 . 0 0 "[ . 1 . 2]" 1
292 1 33 MET H 1 33 MET HG3 . . 5.420 2.611 2.422 4.185 . 0 0 "[ . 1 . 2]" 1
293 1 33 MET H 1 34 MET QB . . 5.680 4.703 4.663 4.798 . 0 0 "[ . 1 . 2]" 1
294 1 33 MET H 1 35 GLU H . . 5.330 4.120 4.075 4.172 . 0 0 "[ . 1 . 2]" 1
295 1 33 MET HA 1 34 MET H . . 5.370 3.611 3.600 3.629 . 0 0 "[ . 1 . 2]" 1
296 1 33 MET HA 1 35 GLU H . . 5.860 4.342 4.276 4.392 . 0 0 "[ . 1 . 2]" 1
297 1 33 MET HA 1 36 GLU H . . 4.400 3.291 3.105 3.445 . 0 0 "[ . 1 . 2]" 1
298 1 33 MET HA 1 36 GLU HB2 . . 4.600 2.688 2.481 2.868 . 0 0 "[ . 1 . 2]" 1
299 1 33 MET HA 1 36 GLU HG3 . . 5.260 3.531 3.339 3.704 . 0 0 "[ . 1 . 2]" 1
300 1 33 MET HA 1 37 VAL H . . 4.530 4.050 3.887 4.236 . 0 0 "[ . 1 . 2]" 1
301 1 33 MET HA 1 73 GLU HG2 . . 5.660 5.684 5.531 5.796 0.136 4 0 "[ . 1 . 2]" 1
302 1 33 MET HB2 1 34 MET H . . 5.270 2.749 2.627 3.153 . 0 0 "[ . 1 . 2]" 1
303 1 33 MET HB3 1 34 MET H . . 5.400 3.592 3.304 3.651 . 0 0 "[ . 1 . 2]" 1
304 1 33 MET HB3 1 35 GLU H . . 5.510 5.570 5.365 5.622 0.112 19 0 "[ . 1 . 2]" 1
305 1 33 MET HG2 1 69 GLU HA . . 5.070 3.508 3.156 5.104 0.034 7 0 "[ . 1 . 2]" 1
306 1 33 MET HG2 1 69 GLU HG2 . . 5.200 4.238 4.020 4.912 . 0 0 "[ . 1 . 2]" 1
307 1 33 MET HG2 1 69 GLU HG3 . . 4.440 2.532 2.271 3.306 . 0 0 "[ . 1 . 2]" 1
308 1 33 MET HG2 1 73 GLU HG2 . . 5.150 5.203 4.975 5.315 0.165 2 0 "[ . 1 . 2]" 1
309 1 33 MET HG3 1 69 GLU HA . . 4.870 4.910 4.567 5.046 0.176 11 0 "[ . 1 . 2]" 1
310 1 33 MET HG3 1 69 GLU HG2 . . 5.080 5.124 4.968 5.209 0.129 5 0 "[ . 1 . 2]" 1
311 1 33 MET HG3 1 69 GLU HG3 . . 4.800 3.400 3.226 3.463 . 0 0 "[ . 1 . 2]" 1
312 1 33 MET HG3 1 73 GLU HG2 . . 6.310 6.325 6.144 6.446 0.136 6 0 "[ . 1 . 2]" 1
313 1 33 MET O 1 37 VAL H . . 2.200 1.860 1.764 1.990 . 0 0 "[ . 1 . 2]" 1
314 1 33 MET O 1 37 VAL N . . 3.300 2.770 2.696 2.853 . 0 0 "[ . 1 . 2]" 1
315 1 34 MET H 1 34 MET HG2 . . 4.430 3.591 2.424 3.725 . 0 0 "[ . 1 . 2]" 1
316 1 34 MET H 1 35 GLU H . . 4.700 2.768 2.709 2.801 . 0 0 "[ . 1 . 2]" 1
317 1 34 MET H 1 35 GLU HA . . 5.480 5.271 5.236 5.301 . 0 0 "[ . 1 . 2]" 1
318 1 34 MET HA 1 35 GLU H . . 5.140 3.621 3.604 3.633 . 0 0 "[ . 1 . 2]" 1
319 1 34 MET HA 1 37 VAL H . . 4.670 3.159 2.989 3.287 . 0 0 "[ . 1 . 2]" 1
320 1 34 MET HA 1 37 VAL HB . . 5.770 3.132 2.258 4.794 . 0 0 "[ . 1 . 2]" 1
321 1 34 MET HA 1 37 VAL MG1 . . 5.260 2.701 1.989 3.880 . 0 0 "[ . 1 . 2]" 1
322 1 34 MET HA 1 37 VAL MG2 . . 5.720 3.734 1.859 4.608 . 0 0 "[ . 1 . 2]" 1
323 1 34 MET HA 1 38 GLU H . . 5.800 3.882 3.772 4.086 . 0 0 "[ . 1 . 2]" 1
324 1 34 MET QB 1 35 GLU H . . 4.690 2.694 2.658 2.778 . 0 0 "[ . 1 . 2]" 1
325 1 34 MET O 1 38 GLU H . . 2.520 1.887 1.760 1.985 . 0 0 "[ . 1 . 2]" 1
326 1 34 MET O 1 38 GLU N . . 3.300 2.773 2.696 2.833 . 0 0 "[ . 1 . 2]" 1
327 1 35 GLU H 1 35 GLU HB2 . . 4.260 2.489 2.439 2.539 . 0 0 "[ . 1 . 2]" 1
328 1 35 GLU H 1 35 GLU HB3 . . 4.360 3.054 2.554 3.640 . 0 0 "[ . 1 . 2]" 1
329 1 35 GLU H 1 35 GLU QG . . 4.800 3.285 2.368 4.099 . 0 0 "[ . 1 . 2]" 1
330 1 35 GLU H 1 36 GLU H . . 4.540 2.701 2.667 2.759 . 0 0 "[ . 1 . 2]" 1
331 1 35 GLU H 1 36 GLU HA . . 5.280 5.243 5.204 5.292 0.012 14 0 "[ . 1 . 2]" 1
332 1 35 GLU H 1 36 GLU HG2 . . 6.150 6.083 5.970 6.183 0.033 19 0 "[ . 1 . 2]" 1
333 1 35 GLU H 1 37 VAL H . . 4.330 4.071 3.935 4.184 . 0 0 "[ . 1 . 2]" 1
334 1 35 GLU HA 1 36 GLU H . . 5.020 3.609 3.597 3.622 . 0 0 "[ . 1 . 2]" 1
335 1 35 GLU HA 1 37 VAL H . . 5.780 4.397 4.247 4.521 . 0 0 "[ . 1 . 2]" 1
336 1 35 GLU HA 1 38 GLU H . . 3.860 3.378 3.216 3.505 . 0 0 "[ . 1 . 2]" 1
337 1 35 GLU HA 1 38 GLU QB . . 3.830 2.657 2.496 2.878 . 0 0 "[ . 1 . 2]" 1
338 1 35 GLU HB2 1 36 GLU H . . 4.430 3.348 2.655 3.921 . 0 0 "[ . 1 . 2]" 1
339 1 35 GLU HB3 1 36 GLU H . . 4.360 3.051 2.544 3.665 . 0 0 "[ . 1 . 2]" 1
340 1 35 GLU HB3 1 37 VAL H . . 5.940 5.245 4.852 5.668 . 0 0 "[ . 1 . 2]" 1
341 1 35 GLU O 1 39 LYS H . . 2.400 2.063 1.900 2.264 . 0 0 "[ . 1 . 2]" 1
342 1 35 GLU O 1 39 LYS N . . 3.300 2.996 2.870 3.184 . 0 0 "[ . 1 . 2]" 1
343 1 36 GLU H 1 36 GLU HG2 . . 4.360 3.598 3.542 3.700 . 0 0 "[ . 1 . 2]" 1
344 1 36 GLU H 1 36 GLU HG3 . . 4.490 2.356 2.286 2.419 . 0 0 "[ . 1 . 2]" 1
345 1 36 GLU H 1 37 VAL H . . 4.740 2.644 2.567 2.734 . 0 0 "[ . 1 . 2]" 1
346 1 36 GLU H 1 37 VAL MG1 . . 6.160 4.855 4.281 5.894 . 0 0 "[ . 1 . 2]" 1
347 1 36 GLU H 1 38 GLU H . . 4.000 3.984 3.890 4.075 0.075 2 0 "[ . 1 . 2]" 1
348 1 36 GLU HA 1 37 VAL H . . 4.930 3.595 3.547 3.623 . 0 0 "[ . 1 . 2]" 1
349 1 36 GLU HA 1 38 GLU QB . . 5.940 4.811 4.653 4.933 . 0 0 "[ . 1 . 2]" 1
350 1 36 GLU HA 1 39 LYS H . . 4.330 3.260 3.131 3.358 . 0 0 "[ . 1 . 2]" 1
351 1 36 GLU HA 1 39 LYS HB2 . . 3.280 2.725 2.643 2.911 . 0 0 "[ . 1 . 2]" 1
352 1 36 GLU HA 1 39 LYS HB3 . . 4.500 4.386 4.293 4.520 0.020 20 0 "[ . 1 . 2]" 1
353 1 36 GLU HA 1 40 LEU H . . 5.900 4.331 4.073 4.539 . 0 0 "[ . 1 . 2]" 1
354 1 36 GLU HA 1 72 ILE MD . . 7.700 5.507 4.276 6.139 . 0 0 "[ . 1 . 2]" 1
355 1 36 GLU HA 1 72 ILE MG . . 6.710 4.150 3.898 5.044 . 0 0 "[ . 1 . 2]" 1
356 1 36 GLU HA 1 76 ASN HB2 . . 3.860 3.902 3.828 3.973 0.113 1 0 "[ . 1 . 2]" 1
357 1 36 GLU HB2 1 37 VAL HA . . 4.850 4.335 4.263 4.401 . 0 0 "[ . 1 . 2]" 1
358 1 36 GLU HB2 1 72 ILE MG . . 4.790 2.225 1.942 2.824 . 0 0 "[ . 1 . 2]" 1
359 1 36 GLU HB3 1 37 VAL H . . 4.930 3.739 3.688 3.823 . 0 0 "[ . 1 . 2]" 1
360 1 36 GLU HB3 1 37 VAL HA . . 4.700 4.273 4.189 4.341 . 0 0 "[ . 1 . 2]" 1
361 1 36 GLU HB3 1 69 GLU HA . . 6.810 6.774 6.394 6.919 0.109 6 0 "[ . 1 . 2]" 1
362 1 36 GLU HB3 1 72 ILE MD . . 6.430 4.029 2.788 4.639 . 0 0 "[ . 1 . 2]" 1
363 1 36 GLU O 1 40 LEU H . . 2.510 2.100 1.972 2.294 . 0 0 "[ . 1 . 2]" 1
364 1 36 GLU O 1 40 LEU N . . 3.410 2.955 2.840 3.149 . 0 0 "[ . 1 . 2]" 1
365 1 37 VAL H 1 37 VAL HB . . 4.120 2.550 2.303 3.739 . 0 0 "[ . 1 . 2]" 1
366 1 37 VAL H 1 37 VAL MG1 . . 4.270 2.885 2.360 3.791 . 0 0 "[ . 1 . 2]" 1
367 1 37 VAL H 1 38 GLU H . . 4.780 2.515 2.468 2.568 . 0 0 "[ . 1 . 2]" 1
368 1 37 VAL H 1 38 GLU QB . . 5.380 4.403 4.285 4.635 . 0 0 "[ . 1 . 2]" 1
369 1 37 VAL H 1 39 LYS H . . 5.560 4.082 4.033 4.147 . 0 0 "[ . 1 . 2]" 1
370 1 37 VAL H 1 41 CYS H . . 6.320 5.967 5.731 6.139 . 0 0 "[ . 1 . 2]" 1
371 1 37 VAL H 1 72 ILE MD . . 6.120 3.813 2.627 4.335 . 0 0 "[ . 1 . 2]" 1
372 1 37 VAL HA 1 38 GLU H . . 4.870 3.549 3.529 3.572 . 0 0 "[ . 1 . 2]" 1
373 1 37 VAL HA 1 38 GLU QB . . 6.110 5.288 5.212 5.465 . 0 0 "[ . 1 . 2]" 1
374 1 37 VAL HA 1 39 LYS H . . 4.950 4.276 4.155 4.388 . 0 0 "[ . 1 . 2]" 1
375 1 37 VAL HA 1 39 LYS HB2 . . 5.670 4.935 4.732 5.120 . 0 0 "[ . 1 . 2]" 1
376 1 37 VAL HA 1 40 LEU H . . 4.450 2.973 2.793 3.121 . 0 0 "[ . 1 . 2]" 1
377 1 37 VAL HA 1 40 LEU HA . . 5.750 5.044 4.765 5.430 . 0 0 "[ . 1 . 2]" 1
378 1 37 VAL HA 1 40 LEU HB2 . . 5.180 3.293 2.237 4.832 . 0 0 "[ . 1 . 2]" 1
379 1 37 VAL HA 1 40 LEU HB3 . . 4.670 2.975 2.113 4.308 . 0 0 "[ . 1 . 2]" 1
380 1 37 VAL HA 1 40 LEU MD2 . . 5.250 3.357 1.994 4.250 . 0 0 "[ . 1 . 2]" 1
381 1 37 VAL HA 1 40 LEU HG . . 5.330 4.405 2.097 5.326 . 0 0 "[ . 1 . 2]" 1
382 1 37 VAL HA 1 41 CYS H . . 4.840 4.027 3.720 4.194 . 0 0 "[ . 1 . 2]" 1
383 1 37 VAL HA 1 72 ILE MD . . 5.580 2.983 2.071 4.310 . 0 0 "[ . 1 . 2]" 1
384 1 37 VAL HA 1 72 ILE MG . . 6.540 3.610 2.882 5.263 . 0 0 "[ . 1 . 2]" 1
385 1 37 VAL HB 1 38 GLU H . . 4.630 3.617 2.638 4.099 . 0 0 "[ . 1 . 2]" 1
386 1 37 VAL HB 1 68 LEU MD1 . . 7.210 5.527 4.428 6.413 . 0 0 "[ . 1 . 2]" 1
387 1 37 VAL HB 1 72 ILE HA . . 6.910 6.693 5.898 7.267 0.357 14 0 "[ . 1 . 2]" 1
388 1 37 VAL MG1 1 41 CYS H . . 7.070 4.273 3.580 5.445 . 0 0 "[ . 1 . 2]" 1
389 1 37 VAL MG2 1 38 GLU H . . 5.540 3.942 2.320 4.299 . 0 0 "[ . 1 . 2]" 1
390 1 37 VAL MG2 1 38 GLU HA . . 5.570 4.509 3.099 5.412 . 0 0 "[ . 1 . 2]" 1
391 1 37 VAL MG2 1 40 LEU H . . 6.000 4.379 4.034 4.900 . 0 0 "[ . 1 . 2]" 1
392 1 37 VAL MG2 1 41 CYS H . . 5.680 4.346 3.607 5.606 . 0 0 "[ . 1 . 2]" 1
393 1 37 VAL MG2 1 72 ILE HB . . 7.700 5.019 3.851 6.497 . 0 0 "[ . 1 . 2]" 1
394 1 37 VAL O 1 41 CYS H . . 2.200 1.926 1.787 2.097 . 0 0 "[ . 1 . 2]" 1
395 1 37 VAL O 1 41 CYS N . . 3.300 2.853 2.753 3.028 . 0 0 "[ . 1 . 2]" 1
396 1 38 GLU H 1 38 GLU QG . . 4.430 3.565 2.421 4.039 . 0 0 "[ . 1 . 2]" 1
397 1 38 GLU H 1 39 LYS H . . 4.540 2.623 2.508 2.776 . 0 0 "[ . 1 . 2]" 1
398 1 38 GLU H 1 40 LEU H . . 5.000 3.969 3.851 4.061 . 0 0 "[ . 1 . 2]" 1
399 1 38 GLU H 1 41 CYS H . . 5.650 4.637 4.492 4.758 . 0 0 "[ . 1 . 2]" 1
400 1 38 GLU HA 1 41 CYS HB3 . . 3.570 2.934 2.693 3.120 . 0 0 "[ . 1 . 2]" 1
401 1 38 GLU QB 1 39 LYS H . . 4.100 2.560 2.481 2.644 . 0 0 "[ . 1 . 2]" 1
402 1 38 GLU O 1 42 ASP H . . 2.370 2.236 2.017 2.413 0.043 14 0 "[ . 1 . 2]" 1
403 1 38 GLU O 1 42 ASP N . . 3.300 2.970 2.906 3.085 . 0 0 "[ . 1 . 2]" 1
404 1 39 LYS H 1 39 LYS HB3 . . 4.100 3.601 3.481 3.623 . 0 0 "[ . 1 . 2]" 1
405 1 39 LYS H 1 39 LYS QG . . 4.670 2.458 2.253 3.692 . 0 0 "[ . 1 . 2]" 1
406 1 39 LYS H 1 40 LEU H . . 4.680 2.750 2.657 2.821 . 0 0 "[ . 1 . 2]" 1
407 1 39 LYS H 1 41 CYS H . . 5.250 4.181 4.058 4.288 . 0 0 "[ . 1 . 2]" 1
408 1 39 LYS H 1 42 ASP HB3 . . 5.560 5.490 5.297 5.639 0.079 10 0 "[ . 1 . 2]" 1
409 1 39 LYS H 1 76 ASN HA . . 6.540 6.471 6.201 6.619 0.079 7 0 "[ . 1 . 2]" 1
410 1 39 LYS HA 1 39 LYS HE2 . . 5.630 5.094 4.358 6.010 0.380 13 0 "[ . 1 . 2]" 1
411 1 39 LYS HA 1 42 ASP H . . 4.480 3.310 3.169 3.537 . 0 0 "[ . 1 . 2]" 1
412 1 39 LYS HA 1 42 ASP HB2 . . 4.780 3.151 2.780 3.610 . 0 0 "[ . 1 . 2]" 1
413 1 39 LYS HA 1 42 ASP HB3 . . 4.570 2.882 2.646 3.173 . 0 0 "[ . 1 . 2]" 1
414 1 39 LYS HA 1 43 ARG H . . 5.330 4.320 4.114 4.579 . 0 0 "[ . 1 . 2]" 1
415 1 39 LYS HA 1 43 ARG HB2 . . 5.510 5.495 5.121 5.642 0.132 6 0 "[ . 1 . 2]" 1
416 1 39 LYS HB3 1 76 ASN HA . . 4.480 4.471 4.124 4.650 0.170 18 0 "[ . 1 . 2]" 1
417 1 39 LYS HB3 1 80 ARG H . . 6.400 6.314 5.841 6.518 0.118 7 0 "[ . 1 . 2]" 1
418 1 39 LYS O 1 43 ARG H . . 2.560 2.208 2.017 2.413 . 0 0 "[ . 1 . 2]" 1
419 1 39 LYS O 1 43 ARG N . . 3.440 3.133 2.965 3.276 . 0 0 "[ . 1 . 2]" 1
420 1 40 LEU H 1 40 LEU MD1 . . 5.250 3.933 2.398 4.418 . 0 0 "[ . 1 . 2]" 1
421 1 40 LEU H 1 40 LEU MD2 . . 5.190 3.669 2.850 4.265 . 0 0 "[ . 1 . 2]" 1
422 1 40 LEU H 1 40 LEU HG . . 4.430 3.788 2.209 4.430 . 0 0 "[ . 1 . 2]" 1
423 1 40 LEU H 1 41 CYS H . . 4.620 2.583 2.427 2.695 . 0 0 "[ . 1 . 2]" 1
424 1 40 LEU H 1 41 CYS HA . . 5.210 5.122 4.959 5.211 0.001 7 0 "[ . 1 . 2]" 1
425 1 40 LEU H 1 76 ASN HA . . 5.520 5.581 5.413 5.693 0.173 3 0 "[ . 1 . 2]" 1
426 1 40 LEU H 1 79 ILE MD . . 5.980 3.805 2.972 5.234 . 0 0 "[ . 1 . 2]" 1
427 1 40 LEU H 1 79 ILE MG . . 6.890 5.215 4.954 5.512 . 0 0 "[ . 1 . 2]" 1
428 1 40 LEU HA 1 41 CYS H . . 4.520 3.608 3.563 3.644 . 0 0 "[ . 1 . 2]" 1
429 1 40 LEU HA 1 42 ASP H . . 4.590 4.005 3.591 4.445 . 0 0 "[ . 1 . 2]" 1
430 1 40 LEU HA 1 43 ARG H . . 4.680 3.472 3.012 3.697 . 0 0 "[ . 1 . 2]" 1
431 1 40 LEU HA 1 44 LEU H . . 4.260 2.865 2.495 3.524 . 0 0 "[ . 1 . 2]" 1
432 1 40 LEU HA 1 44 LEU HB3 . . 4.750 3.586 2.660 4.072 . 0 0 "[ . 1 . 2]" 1
433 1 40 LEU HA 1 72 ILE MD . . 8.800 6.241 4.502 8.190 . 0 0 "[ . 1 . 2]" 1
434 1 40 LEU HA 1 79 ILE HA . . 6.530 6.171 5.762 6.554 0.024 7 0 "[ . 1 . 2]" 1
435 1 40 LEU HA 1 79 ILE HB . . 5.470 5.497 5.371 5.577 0.107 3 0 "[ . 1 . 2]" 1
436 1 40 LEU HB2 1 41 CYS H . . 5.220 3.755 2.671 4.325 . 0 0 "[ . 1 . 2]" 1
437 1 40 LEU HB2 1 72 ILE HA . . 6.020 5.264 3.982 6.051 0.031 3 0 "[ . 1 . 2]" 1
438 1 40 LEU HB2 1 72 ILE MD . . 7.700 4.384 2.510 6.591 . 0 0 "[ . 1 . 2]" 1
439 1 40 LEU HB2 1 75 ILE MD . . 7.700 4.911 2.009 6.879 . 0 0 "[ . 1 . 2]" 1
440 1 40 LEU HB2 1 75 ILE HG13 . . 5.960 4.899 3.628 6.087 0.127 19 0 "[ . 1 . 2]" 1
441 1 40 LEU HB3 1 41 CYS H . . 4.760 3.110 2.488 4.099 . 0 0 "[ . 1 . 2]" 1
442 1 40 LEU HB3 1 41 CYS HA . . 5.660 4.517 3.755 5.637 . 0 0 "[ . 1 . 2]" 1
443 1 40 LEU HB3 1 79 ILE MD . . 6.260 4.285 3.597 5.272 . 0 0 "[ . 1 . 2]" 1
444 1 40 LEU MD1 1 46 LEU HA . . 8.000 5.816 3.911 7.999 . 0 0 "[ . 1 . 2]" 1
445 1 40 LEU MD1 1 48 SER HA . . 7.700 5.622 4.398 8.004 0.304 1 0 "[ . 1 . 2]" 1
446 1 40 LEU MD1 1 48 SER HB2 . . 6.600 4.005 2.636 6.316 . 0 0 "[ . 1 . 2]" 1
447 1 40 LEU MD1 1 49 LEU HA . . 5.430 3.434 2.509 5.530 0.100 3 0 "[ . 1 . 2]" 1
448 1 40 LEU MD1 1 72 ILE HA . . 7.110 3.649 2.183 5.908 . 0 0 "[ . 1 . 2]" 1
449 1 40 LEU MD1 1 75 ILE H . . 7.700 5.018 3.865 7.042 . 0 0 "[ . 1 . 2]" 1
450 1 40 LEU MD2 1 48 SER H . . 7.700 5.800 4.027 7.666 . 0 0 "[ . 1 . 2]" 1
451 1 40 LEU MD2 1 49 LEU H . . 7.490 4.365 2.644 6.724 . 0 0 "[ . 1 . 2]" 1
452 1 40 LEU MD2 1 75 ILE HG13 . . 7.700 4.351 2.199 6.832 . 0 0 "[ . 1 . 2]" 1
453 1 40 LEU HG 1 41 CYS H . . 4.900 4.004 2.252 5.005 0.105 9 0 "[ . 1 . 2]" 1
454 1 40 LEU O 1 44 LEU H . . 2.300 1.903 1.737 2.070 . 0 0 "[ . 1 . 2]" 1
455 1 40 LEU O 1 44 LEU N . . 3.300 2.710 2.637 2.799 . 0 0 "[ . 1 . 2]" 1
456 1 41 CYS H 1 42 ASP H . . 4.610 2.641 2.572 2.704 . 0 0 "[ . 1 . 2]" 1
457 1 41 CYS H 1 43 ARG H . . 4.990 4.519 4.327 4.608 . 0 0 "[ . 1 . 2]" 1
458 1 41 CYS HA 1 42 ASP H . . 5.440 3.534 3.458 3.610 . 0 0 "[ . 1 . 2]" 1
459 1 41 CYS HA 1 43 ARG H . . 4.850 4.685 4.524 4.860 0.010 18 0 "[ . 1 . 2]" 1
460 1 41 CYS HA 1 44 LEU H . . 4.600 4.283 3.740 4.509 . 0 0 "[ . 1 . 2]" 1
461 1 41 CYS HA 1 44 LEU HB3 . . 5.030 4.654 3.394 5.066 0.036 3 0 "[ . 1 . 2]" 1
462 1 41 CYS HA 1 49 LEU HB2 . . 4.810 4.679 4.367 4.940 0.130 18 0 "[ . 1 . 2]" 1
463 1 41 CYS HB2 1 42 ASP H . . 4.540 4.040 3.919 4.177 . 0 0 "[ . 1 . 2]" 1
464 1 41 CYS HB3 1 42 ASP H . . 4.980 2.964 2.653 3.273 . 0 0 "[ . 1 . 2]" 1
465 1 41 CYS HB3 1 42 ASP HB3 . . 5.180 5.217 5.029 5.358 0.178 15 0 "[ . 1 . 2]" 1
466 1 42 ASP H 1 42 ASP HB3 . . 4.240 2.616 2.571 2.656 . 0 0 "[ . 1 . 2]" 1
467 1 42 ASP H 1 43 ARG H . . 4.300 2.666 2.389 2.968 . 0 0 "[ . 1 . 2]" 1
468 1 42 ASP H 1 44 LEU H . . 5.010 3.878 3.533 4.251 . 0 0 "[ . 1 . 2]" 1
469 1 42 ASP HA 1 43 ARG H . . 5.120 3.673 3.649 3.704 . 0 0 "[ . 1 . 2]" 1
470 1 42 ASP HB2 1 43 ARG H . . 5.390 3.970 3.867 4.103 . 0 0 "[ . 1 . 2]" 1
471 1 42 ASP HB3 1 43 ARG H . . 5.210 2.692 2.595 2.848 . 0 0 "[ . 1 . 2]" 1
472 1 43 ARG H 1 43 ARG HB2 . . 4.150 2.640 2.501 3.017 . 0 0 "[ . 1 . 2]" 1
473 1 43 ARG H 1 44 LEU H . . 4.280 2.045 1.998 2.159 . 0 0 "[ . 1 . 2]" 1
474 1 44 LEU H 1 44 LEU HB3 . . 4.220 3.069 2.582 3.341 . 0 0 "[ . 1 . 2]" 1
475 1 44 LEU H 1 44 LEU MD2 . . 5.560 3.683 2.968 4.451 . 0 0 "[ . 1 . 2]" 1
476 1 44 LEU HA 1 44 LEU MD1 . . 4.360 2.172 2.082 2.327 . 0 0 "[ . 1 . 2]" 1
477 1 44 LEU HA 1 45 GLU H . . 3.740 2.246 2.168 2.393 . 0 0 "[ . 1 . 2]" 1
478 1 44 LEU HA 1 45 GLU HB2 . . 5.000 4.728 4.642 4.810 . 0 0 "[ . 1 . 2]" 1
479 1 44 LEU HB2 1 45 GLU H . . 4.970 4.101 3.894 4.267 . 0 0 "[ . 1 . 2]" 1
480 1 44 LEU HB2 1 48 SER HB2 . . 5.010 4.715 4.320 5.084 0.074 13 0 "[ . 1 . 2]" 1
481 1 44 LEU HB2 1 79 ILE MD . . 4.600 3.087 2.278 3.920 . 0 0 "[ . 1 . 2]" 1
482 1 44 LEU HB3 1 45 GLU H . . 5.540 3.274 2.599 4.077 . 0 0 "[ . 1 . 2]" 1
483 1 44 LEU HB3 1 48 SER HB2 . . 4.750 3.567 2.775 4.547 . 0 0 "[ . 1 . 2]" 1
484 1 44 LEU HB3 1 79 ILE MD . . 6.740 4.495 3.662 5.042 . 0 0 "[ . 1 . 2]" 1
485 1 44 LEU MD1 1 45 GLU H . . 4.850 2.128 1.680 3.426 . 0 0 "[ . 1 . 2]" 1
486 1 44 LEU MD1 1 45 GLU HA . . 6.950 4.487 4.004 5.608 . 0 0 "[ . 1 . 2]" 1
487 1 44 LEU MD1 1 48 SER H . . 7.040 4.065 3.306 6.157 . 0 0 "[ . 1 . 2]" 1
488 1 44 LEU MD1 1 79 ILE HA . . 7.700 5.508 3.845 6.578 . 0 0 "[ . 1 . 2]" 1
489 1 44 LEU HG 1 48 SER HA . . 5.850 5.615 5.050 5.937 0.087 12 0 "[ . 1 . 2]" 1
490 1 44 LEU HG 1 48 SER HB2 . . 5.520 2.954 2.109 3.616 . 0 0 "[ . 1 . 2]" 1
491 1 45 GLU H 1 45 GLU QG . . 4.670 2.442 2.210 3.113 . 0 0 "[ . 1 . 2]" 1
492 1 45 GLU H 1 47 ALA MB . . 6.910 5.208 5.017 5.461 . 0 0 "[ . 1 . 2]" 1
493 1 45 GLU H 1 48 SER H . . 5.170 4.276 4.059 4.477 . 0 0 "[ . 1 . 2]" 1
494 1 45 GLU H 1 48 SER HB2 . . 5.620 3.970 3.629 4.257 . 0 0 "[ . 1 . 2]" 1
495 1 45 GLU HA 1 46 LEU H . . 4.210 2.351 2.315 2.415 . 0 0 "[ . 1 . 2]" 1
496 1 45 GLU HA 1 46 LEU HA . . 5.080 4.276 4.262 4.293 . 0 0 "[ . 1 . 2]" 1
497 1 45 GLU HA 1 46 LEU MD2 . . 6.800 3.999 3.603 4.312 . 0 0 "[ . 1 . 2]" 1
498 1 45 GLU HA 1 47 ALA H . . 4.020 4.052 3.994 4.087 0.067 9 0 "[ . 1 . 2]" 1
499 1 45 GLU HA 1 48 SER H . . 5.120 4.766 4.674 4.860 . 0 0 "[ . 1 . 2]" 1
500 1 45 GLU HB2 1 46 LEU H . . 5.230 3.975 3.857 4.084 . 0 0 "[ . 1 . 2]" 1
501 1 45 GLU HB2 1 47 ALA H . . 4.860 3.340 3.126 3.607 . 0 0 "[ . 1 . 2]" 1
502 1 45 GLU HB2 1 47 ALA MB . . 4.550 3.115 2.944 3.341 . 0 0 "[ . 1 . 2]" 1
503 1 45 GLU HB2 1 48 SER H . . 4.800 3.047 2.836 3.259 . 0 0 "[ . 1 . 2]" 1
504 1 45 GLU HB3 1 46 LEU H . . 4.960 2.807 2.650 2.961 . 0 0 "[ . 1 . 2]" 1
505 1 45 GLU HB3 1 47 ALA H . . 4.680 2.494 2.405 2.614 . 0 0 "[ . 1 . 2]" 1
506 1 45 GLU HB3 1 47 ALA HA . . 5.100 5.060 4.988 5.131 0.031 15 0 "[ . 1 . 2]" 1
507 1 45 GLU HB3 1 48 SER H . . 4.250 3.784 3.524 4.032 . 0 0 "[ . 1 . 2]" 1
508 1 45 GLU QG 1 47 ALA H . . 5.060 4.557 4.346 4.684 . 0 0 "[ . 1 . 2]" 1
509 1 45 GLU QG 1 48 SER H . . 6.090 5.023 4.866 5.295 . 0 0 "[ . 1 . 2]" 1
510 1 46 LEU H 1 46 LEU MD2 . . 4.880 2.349 1.920 2.646 . 0 0 "[ . 1 . 2]" 1
511 1 46 LEU HA 1 47 ALA H . . 5.030 3.567 3.507 3.592 . 0 0 "[ . 1 . 2]" 1
512 1 46 LEU HA 1 48 SER H . . 4.320 3.919 3.789 4.071 . 0 0 "[ . 1 . 2]" 1
513 1 46 LEU HA 1 49 LEU HB3 . . 4.970 2.759 2.021 3.335 . 0 0 "[ . 1 . 2]" 1
514 1 46 LEU HB2 1 49 LEU HB3 . . 4.920 3.764 3.461 4.018 . 0 0 "[ . 1 . 2]" 1
515 1 46 LEU HB3 1 47 ALA H . . 4.660 4.296 4.197 4.461 . 0 0 "[ . 1 . 2]" 1
516 1 46 LEU MD2 1 49 LEU HB3 . . 7.700 5.716 5.186 6.126 . 0 0 "[ . 1 . 2]" 1
517 1 46 LEU HG 1 47 ALA HA . . 5.440 4.232 3.737 5.544 0.104 6 0 "[ . 1 . 2]" 1
518 1 46 LEU O 1 50 GLN H . . 2.200 1.761 1.724 1.786 . 0 0 "[ . 1 . 2]" 1
519 1 46 LEU O 1 50 GLN N . . 3.300 2.706 2.685 2.722 . 0 0 "[ . 1 . 2]" 1
520 1 47 ALA H 1 48 SER H . . 4.880 2.871 2.807 2.915 . 0 0 "[ . 1 . 2]" 1
521 1 47 ALA H 1 49 LEU H . . 5.170 4.206 3.931 4.281 . 0 0 "[ . 1 . 2]" 1
522 1 47 ALA HA 1 48 SER H . . 4.680 3.606 3.587 3.631 . 0 0 "[ . 1 . 2]" 1
523 1 47 ALA HA 1 49 LEU H . . 4.670 4.403 4.332 4.496 . 0 0 "[ . 1 . 2]" 1
524 1 47 ALA HA 1 50 GLN H . . 4.330 3.350 3.224 3.702 . 0 0 "[ . 1 . 2]" 1
525 1 47 ALA HA 1 50 GLN HB2 . . 5.880 3.239 2.473 3.510 . 0 0 "[ . 1 . 2]" 1
526 1 47 ALA HA 1 51 CYS H . . 4.430 4.075 3.862 4.477 0.047 7 0 "[ . 1 . 2]" 1
527 1 47 ALA MB 1 48 SER H . . 4.610 2.756 2.624 2.825 . 0 0 "[ . 1 . 2]" 1
528 1 47 ALA MB 1 49 LEU H . . 5.510 4.536 4.368 4.606 . 0 0 "[ . 1 . 2]" 1
529 1 47 ALA MB 1 50 GLN H . . 5.700 4.568 4.487 4.780 . 0 0 "[ . 1 . 2]" 1
530 1 47 ALA MB 1 50 GLN HB3 . . 6.900 4.401 3.959 6.035 . 0 0 "[ . 1 . 2]" 1
531 1 47 ALA MB 1 51 CYS H . . 5.950 4.536 4.331 4.938 . 0 0 "[ . 1 . 2]" 1
532 1 47 ALA O 1 51 CYS H . . 2.430 2.037 1.869 2.426 . 0 0 "[ . 1 . 2]" 1
533 1 47 ALA O 1 51 CYS N . . 3.300 2.933 2.785 3.304 0.004 7 0 "[ . 1 . 2]" 1
534 1 48 SER H 1 49 LEU H . . 4.330 2.384 2.280 2.417 . 0 0 "[ . 1 . 2]" 1
535 1 48 SER H 1 49 LEU HB2 . . 4.860 4.683 4.410 4.889 0.029 11 0 "[ . 1 . 2]" 1
536 1 48 SER H 1 50 GLN H . . 5.150 3.926 3.858 4.022 . 0 0 "[ . 1 . 2]" 1
537 1 48 SER H 1 75 ILE MD . . 7.360 5.592 5.169 6.329 . 0 0 "[ . 1 . 2]" 1
538 1 48 SER HA 1 49 LEU H . . 4.260 3.551 3.530 3.560 . 0 0 "[ . 1 . 2]" 1
539 1 48 SER HA 1 51 CYS H . . 4.100 3.244 2.988 3.380 . 0 0 "[ . 1 . 2]" 1
540 1 48 SER HA 1 51 CYS HB2 . . 4.110 3.207 2.865 3.431 . 0 0 "[ . 1 . 2]" 1
541 1 48 SER HA 1 51 CYS HB3 . . 3.520 2.813 2.594 2.926 . 0 0 "[ . 1 . 2]" 1
542 1 48 SER HA 1 75 ILE MD . . 6.210 4.533 3.842 5.782 . 0 0 "[ . 1 . 2]" 1
543 1 48 SER HB2 1 49 LEU H . . 4.280 2.927 2.638 3.892 . 0 0 "[ . 1 . 2]" 1
544 1 48 SER HB2 1 49 LEU HB2 . . 5.720 4.638 4.180 5.804 0.084 5 0 "[ . 1 . 2]" 1
545 1 48 SER HB2 1 79 ILE MD . . 8.000 6.553 5.857 7.790 . 0 0 "[ . 1 . 2]" 1
546 1 48 SER O 1 52 LEU H . . 2.340 1.998 1.889 2.163 . 0 0 "[ . 1 . 2]" 1
547 1 48 SER O 1 52 LEU N . . 3.300 2.965 2.849 3.108 . 0 0 "[ . 1 . 2]" 1
548 1 49 LEU H 1 49 LEU HB3 . . 4.360 2.741 2.574 3.005 . 0 0 "[ . 1 . 2]" 1
549 1 49 LEU H 1 49 LEU MD1 . . 5.240 4.135 4.031 4.319 . 0 0 "[ . 1 . 2]" 1
550 1 49 LEU H 1 50 GLN H . . 4.480 2.649 2.622 2.679 . 0 0 "[ . 1 . 2]" 1
551 1 49 LEU H 1 51 CYS H . . 5.080 4.014 3.922 4.070 . 0 0 "[ . 1 . 2]" 1
552 1 49 LEU H 1 51 CYS HB3 . . 5.310 5.259 5.130 5.317 0.007 5 0 "[ . 1 . 2]" 1
553 1 49 LEU HA 1 49 LEU MD1 . . 4.380 2.697 2.047 3.723 . 0 0 "[ . 1 . 2]" 1
554 1 49 LEU HA 1 50 GLN H . . 4.250 3.598 3.571 3.618 . 0 0 "[ . 1 . 2]" 1
555 1 49 LEU HA 1 51 CYS H . . 5.160 4.312 4.188 4.402 . 0 0 "[ . 1 . 2]" 1
556 1 49 LEU HA 1 52 LEU HB2 . . 5.100 2.725 2.635 2.966 . 0 0 "[ . 1 . 2]" 1
557 1 49 LEU HA 1 52 LEU HB3 . . 4.860 4.354 4.292 4.682 . 0 0 "[ . 1 . 2]" 1
558 1 49 LEU HA 1 53 ASN H . . 4.470 4.252 4.059 4.484 0.014 9 0 "[ . 1 . 2]" 1
559 1 49 LEU HA 1 72 ILE MD . . 8.000 5.508 4.340 6.989 . 0 0 "[ . 1 . 2]" 1
560 1 49 LEU HB2 1 50 GLN H . . 3.960 3.852 3.612 4.001 0.041 12 0 "[ . 1 . 2]" 1
561 1 49 LEU HB3 1 50 GLN H . . 4.280 2.697 2.649 2.796 . 0 0 "[ . 1 . 2]" 1
562 1 49 LEU HB3 1 51 CYS H . . 5.190 5.034 4.984 5.097 . 0 0 "[ . 1 . 2]" 1
563 1 49 LEU MD1 1 50 GLN H . . 5.980 4.633 3.782 4.913 . 0 0 "[ . 1 . 2]" 1
564 1 49 LEU MD1 1 52 LEU HB2 . . 6.860 3.830 2.496 5.580 . 0 0 "[ . 1 . 2]" 1
565 1 49 LEU MD2 1 50 GLN H . . 5.990 4.230 3.597 4.774 . 0 0 "[ . 1 . 2]" 1
566 1 49 LEU O 1 53 ASN H . . 2.310 2.049 1.919 2.234 . 0 0 "[ . 1 . 2]" 1
567 1 49 LEU O 1 53 ASN N . . 3.300 2.936 2.832 3.070 . 0 0 "[ . 1 . 2]" 1
568 1 50 GLN H 1 50 GLN HB3 . . 4.310 2.787 2.550 3.629 . 0 0 "[ . 1 . 2]" 1
569 1 50 GLN H 1 50 GLN QG . . 4.400 3.691 2.405 4.082 . 0 0 "[ . 1 . 2]" 1
570 1 50 GLN H 1 51 CYS H . . 4.540 2.633 2.587 2.675 . 0 0 "[ . 1 . 2]" 1
571 1 50 GLN H 1 51 CYS HB2 . . 5.080 5.001 4.961 5.037 . 0 0 "[ . 1 . 2]" 1
572 1 50 GLN H 1 51 CYS HB3 . . 5.320 4.949 4.910 5.026 . 0 0 "[ . 1 . 2]" 1
573 1 50 GLN H 1 52 LEU H . . 4.390 4.261 4.212 4.319 . 0 0 "[ . 1 . 2]" 1
574 1 50 GLN HA 1 53 ASN H . . 3.880 3.211 3.132 3.271 . 0 0 "[ . 1 . 2]" 1
575 1 50 GLN HA 1 53 ASN HB2 . . 4.720 3.039 2.735 3.249 . 0 0 "[ . 1 . 2]" 1
576 1 50 GLN O 1 54 GLU H . . 2.200 1.993 1.896 2.145 . 0 0 "[ . 1 . 2]" 1
577 1 50 GLN O 1 54 GLU N . . 3.300 2.855 2.781 2.979 . 0 0 "[ . 1 . 2]" 1
578 1 51 CYS H 1 51 CYS HB2 . . 3.730 2.520 2.511 2.529 . 0 0 "[ . 1 . 2]" 1
579 1 51 CYS H 1 51 CYS HB3 . . 3.960 2.577 2.562 2.606 . 0 0 "[ . 1 . 2]" 1
580 1 51 CYS H 1 53 ASN H . . 4.100 3.995 3.938 4.035 . 0 0 "[ . 1 . 2]" 1
581 1 51 CYS H 1 53 ASN HB2 . . 5.880 5.672 5.467 5.886 0.006 1 0 "[ . 1 . 2]" 1
582 1 51 CYS H 1 54 GLU H . . 5.240 4.657 4.615 4.727 . 0 0 "[ . 1 . 2]" 1
583 1 51 CYS HA 1 52 LEU H . . 4.120 3.637 3.623 3.646 . 0 0 "[ . 1 . 2]" 1
584 1 51 CYS HA 1 52 LEU HB2 . . 5.720 5.709 5.675 5.764 0.044 1 0 "[ . 1 . 2]" 1
585 1 51 CYS HA 1 53 ASN H . . 4.410 4.273 4.124 4.378 . 0 0 "[ . 1 . 2]" 1
586 1 51 CYS HA 1 54 GLU H . . 4.120 3.274 3.152 3.371 . 0 0 "[ . 1 . 2]" 1
587 1 51 CYS HA 1 54 GLU QB . . 3.950 2.783 2.675 2.907 . 0 0 "[ . 1 . 2]" 1
588 1 51 CYS HB2 1 52 LEU H . . 4.800 3.878 3.851 3.902 . 0 0 "[ . 1 . 2]" 1
589 1 51 CYS HB3 1 52 LEU HA . . 4.360 4.146 4.134 4.163 . 0 0 "[ . 1 . 2]" 1
590 1 51 CYS HB3 1 54 GLU QB . . 6.550 5.234 5.085 5.359 . 0 0 "[ . 1 . 2]" 1
591 1 51 CYS HB3 1 55 THR H . . 5.980 5.743 5.655 5.854 . 0 0 "[ . 1 . 2]" 1
592 1 51 CYS O 1 55 THR H . . 2.340 2.122 2.004 2.241 . 0 0 "[ . 1 . 2]" 1
593 1 51 CYS O 1 55 THR N . . 3.300 3.055 2.942 3.162 . 0 0 "[ . 1 . 2]" 1
594 1 52 LEU H 1 52 LEU HB2 . . 4.370 2.207 2.150 2.294 . 0 0 "[ . 1 . 2]" 1
595 1 52 LEU H 1 52 LEU HB3 . . 4.390 3.519 3.474 3.567 . 0 0 "[ . 1 . 2]" 1
596 1 52 LEU H 1 52 LEU HG . . 5.050 3.944 3.626 4.134 . 0 0 "[ . 1 . 2]" 1
597 1 52 LEU H 1 53 ASN H . . 4.520 2.716 2.690 2.748 . 0 0 "[ . 1 . 2]" 1
598 1 52 LEU H 1 53 ASN HB3 . . 5.100 5.122 5.004 5.192 0.092 9 0 "[ . 1 . 2]" 1
599 1 52 LEU H 1 54 GLU H . . 4.810 4.124 4.073 4.185 . 0 0 "[ . 1 . 2]" 1
600 1 52 LEU HA 1 52 LEU MD2 . . 4.660 3.728 2.442 3.839 . 0 0 "[ . 1 . 2]" 1
601 1 52 LEU HA 1 53 ASN H . . 5.540 3.608 3.590 3.623 . 0 0 "[ . 1 . 2]" 1
602 1 52 LEU HA 1 55 THR H . . 4.320 3.328 3.209 3.410 . 0 0 "[ . 1 . 2]" 1
603 1 52 LEU HA 1 55 THR HB . . 4.950 3.044 2.804 3.266 . 0 0 "[ . 1 . 2]" 1
604 1 52 LEU HA 1 56 LEU H . . 5.120 4.191 4.037 4.315 . 0 0 "[ . 1 . 2]" 1
605 1 52 LEU HA 1 68 LEU HA . . 4.800 4.812 4.643 4.909 0.109 9 0 "[ . 1 . 2]" 1
606 1 52 LEU HA 1 71 GLN HB3 . . 4.920 4.591 4.228 4.971 0.051 11 0 "[ . 1 . 2]" 1
607 1 52 LEU HB2 1 53 ASN H . . 5.000 2.954 2.869 3.022 . 0 0 "[ . 1 . 2]" 1
608 1 52 LEU HB2 1 54 GLU H . . 5.130 5.163 5.112 5.196 0.066 17 0 "[ . 1 . 2]" 1
609 1 52 LEU HB2 1 55 THR H . . 5.860 5.657 5.572 5.763 . 0 0 "[ . 1 . 2]" 1
610 1 52 LEU HB2 1 71 GLN HB3 . . 5.720 5.242 5.044 5.773 0.053 3 0 "[ . 1 . 2]" 1
611 1 52 LEU HB2 1 72 ILE MD . . 7.120 4.905 3.659 5.953 . 0 0 "[ . 1 . 2]" 1
612 1 52 LEU HB3 1 53 ASN H . . 4.680 3.459 3.337 3.582 . 0 0 "[ . 1 . 2]" 1
613 1 52 LEU HB3 1 72 ILE MD . . 6.650 4.472 3.579 5.325 . 0 0 "[ . 1 . 2]" 1
614 1 52 LEU MD1 1 53 ASN H . . 5.720 4.322 4.175 4.643 . 0 0 "[ . 1 . 2]" 1
615 1 52 LEU MD1 1 55 THR HB . . 7.160 4.811 3.131 5.359 . 0 0 "[ . 1 . 2]" 1
616 1 52 LEU MD1 1 71 GLN HB3 . . 4.330 2.167 1.978 2.774 . 0 0 "[ . 1 . 2]" 1
617 1 52 LEU MD2 1 71 GLN HB3 . . 4.560 2.650 2.250 3.138 . 0 0 "[ . 1 . 2]" 1
618 1 52 LEU HG 1 55 THR MG . . 7.700 5.259 4.906 6.555 . 0 0 "[ . 1 . 2]" 1
619 1 52 LEU HG 1 68 LEU HA . . 4.690 3.486 3.112 4.184 . 0 0 "[ . 1 . 2]" 1
620 1 52 LEU HG 1 71 GLN HB3 . . 4.920 2.699 2.160 4.115 . 0 0 "[ . 1 . 2]" 1
621 1 52 LEU HG 1 72 ILE H . . 4.970 4.654 4.153 5.046 0.076 11 0 "[ . 1 . 2]" 1
622 1 52 LEU HG 1 72 ILE MD . . 6.830 4.702 2.203 5.595 . 0 0 "[ . 1 . 2]" 1
623 1 52 LEU O 1 56 LEU H . . 2.620 2.074 1.936 2.192 . 0 0 "[ . 1 . 2]" 1
624 1 52 LEU O 1 56 LEU N . . 3.520 3.064 2.927 3.172 . 0 0 "[ . 1 . 2]" 1
625 1 53 ASN H 1 53 ASN HB2 . . 4.400 2.450 2.387 2.560 . 0 0 "[ . 1 . 2]" 1
626 1 53 ASN H 1 53 ASN HB3 . . 4.340 2.631 2.516 2.702 . 0 0 "[ . 1 . 2]" 1
627 1 53 ASN H 1 54 GLU H . . 4.430 2.593 2.545 2.624 . 0 0 "[ . 1 . 2]" 1
628 1 53 ASN H 1 55 THR H . . 5.100 4.190 4.087 4.248 . 0 0 "[ . 1 . 2]" 1
629 1 53 ASN HA 1 54 GLU H . . 4.990 3.590 3.578 3.605 . 0 0 "[ . 1 . 2]" 1
630 1 53 ASN HA 1 55 THR H . . 5.050 4.414 4.337 4.497 . 0 0 "[ . 1 . 2]" 1
631 1 53 ASN HA 1 56 LEU MD2 . . 5.480 2.070 1.936 2.659 . 0 0 "[ . 1 . 2]" 1
632 1 53 ASN HB3 1 54 GLU H . . 5.160 2.754 2.703 2.807 . 0 0 "[ . 1 . 2]" 1
633 1 53 ASN HB3 1 55 THR H . . 5.630 5.146 5.064 5.194 . 0 0 "[ . 1 . 2]" 1
634 1 53 ASN O 1 57 THR H . . 2.620 2.443 2.402 2.480 . 0 0 "[ . 1 . 2]" 1
635 1 53 ASN O 1 57 THR N . . 3.420 2.951 2.851 2.980 . 0 0 "[ . 1 . 2]" 1
636 1 54 GLU H 1 55 THR H . . 4.310 2.658 2.602 2.730 . 0 0 "[ . 1 . 2]" 1
637 1 54 GLU H 1 57 THR HB . . 5.250 5.227 5.194 5.277 0.027 16 0 "[ . 1 . 2]" 1
638 1 54 GLU HA 1 57 THR H . . 4.710 3.321 3.238 3.359 . 0 0 "[ . 1 . 2]" 1
639 1 54 GLU HA 1 57 THR HB . . 5.090 2.710 2.659 2.769 . 0 0 "[ . 1 . 2]" 1
640 1 54 GLU HA 1 57 THR MG . . 5.130 4.275 4.235 4.328 . 0 0 "[ . 1 . 2]" 1
641 1 54 GLU QB 1 55 THR H . . 4.540 2.607 2.563 2.664 . 0 0 "[ . 1 . 2]" 1
642 1 54 GLU O 1 58 SER H . . 2.440 2.545 2.519 2.560 0.120 8 0 "[ . 1 . 2]" 1
643 1 54 GLU O 1 58 SER N . . 3.300 2.762 2.734 2.783 . 0 0 "[ . 1 . 2]" 1
644 1 55 THR H 1 55 THR HB . . 4.200 2.547 2.537 2.558 . 0 0 "[ . 1 . 2]" 1
645 1 55 THR H 1 56 LEU H . . 4.600 2.768 2.692 2.797 . 0 0 "[ . 1 . 2]" 1
646 1 55 THR H 1 57 THR H . . 5.040 3.868 3.846 3.897 . 0 0 "[ . 1 . 2]" 1
647 1 55 THR H 1 67 ALA MB . . 7.380 5.799 5.500 6.072 . 0 0 "[ . 1 . 2]" 1
648 1 55 THR HA 1 56 LEU H . . 4.380 3.622 3.591 3.631 . 0 0 "[ . 1 . 2]" 1
649 1 55 THR HA 1 57 THR H . . 5.030 3.752 3.686 3.803 . 0 0 "[ . 1 . 2]" 1
650 1 55 THR HA 1 58 SER H . . 3.860 3.447 3.350 3.521 . 0 0 "[ . 1 . 2]" 1
651 1 55 THR HA 1 59 CYS H . . 4.530 4.343 4.182 4.485 . 0 0 "[ . 1 . 2]" 1
652 1 55 THR HB 1 56 LEU H . . 4.510 2.464 2.431 2.513 . 0 0 "[ . 1 . 2]" 1
653 1 55 THR HB 1 56 LEU HB3 . . 4.640 4.111 4.013 4.272 . 0 0 "[ . 1 . 2]" 1
654 1 55 THR HB 1 56 LEU MD1 . . 7.000 5.926 5.704 6.157 . 0 0 "[ . 1 . 2]" 1
655 1 55 THR HB 1 58 SER H . . 5.500 5.273 5.217 5.322 . 0 0 "[ . 1 . 2]" 1
656 1 55 THR HB 1 64 GLY QA . . 5.730 4.737 4.462 4.980 . 0 0 "[ . 1 . 2]" 1
657 1 55 THR HB 1 67 ALA MB . . 5.080 3.716 3.369 3.982 . 0 0 "[ . 1 . 2]" 1
658 1 55 THR HB 1 68 LEU H . . 5.800 5.640 5.382 5.799 . 0 0 "[ . 1 . 2]" 1
659 1 55 THR HB 1 68 LEU MD1 . . 7.700 4.571 3.943 7.317 . 0 0 "[ . 1 . 2]" 1
660 1 55 THR MG 1 56 LEU H . . 5.360 3.380 3.358 3.447 . 0 0 "[ . 1 . 2]" 1
661 1 55 THR MG 1 57 THR H . . 6.410 4.587 4.549 4.615 . 0 0 "[ . 1 . 2]" 1
662 1 55 THR MG 1 59 CYS H . . 5.760 4.134 3.944 4.277 . 0 0 "[ . 1 . 2]" 1
663 1 55 THR MG 1 59 CYS QB . . 5.750 3.370 3.232 3.504 . 0 0 "[ . 1 . 2]" 1
664 1 55 THR MG 1 64 GLY QA . . 5.210 2.989 2.754 3.240 . 0 0 "[ . 1 . 2]" 1
665 1 55 THR MG 1 67 ALA H . . 5.850 4.598 4.406 4.792 . 0 0 "[ . 1 . 2]" 1
666 1 55 THR MG 1 67 ALA MB . . 3.300 2.105 1.957 2.300 . 0 0 "[ . 1 . 2]" 1
667 1 55 THR MG 1 68 LEU H . . 6.000 4.481 4.082 4.958 . 0 0 "[ . 1 . 2]" 1
668 1 55 THR O 1 59 CYS H . . 2.300 2.246 2.136 2.338 0.038 1 0 "[ . 1 . 2]" 1
669 1 55 THR O 1 59 CYS N . . 3.300 2.922 2.877 2.963 . 0 0 "[ . 1 . 2]" 1
670 1 56 LEU H 1 56 LEU HG . . 4.390 2.583 2.118 4.449 0.059 18 0 "[ . 1 . 2]" 1
671 1 56 LEU H 1 57 THR H . . 4.610 2.794 2.762 2.820 . 0 0 "[ . 1 . 2]" 1
672 1 56 LEU H 1 57 THR HB . . 5.120 5.176 5.160 5.196 0.076 10 0 "[ . 1 . 2]" 1
673 1 56 LEU H 1 58 SER H . . 4.430 4.041 3.982 4.070 . 0 0 "[ . 1 . 2]" 1
674 1 56 LEU H 1 59 CYS QB . . 7.010 5.431 5.305 5.593 . 0 0 "[ . 1 . 2]" 1
675 1 56 LEU H 1 67 ALA MB . . 6.570 4.877 4.504 5.107 . 0 0 "[ . 1 . 2]" 1
676 1 56 LEU HA 1 57 THR H . . 5.030 3.453 3.432 3.477 . 0 0 "[ . 1 . 2]" 1
677 1 56 LEU HA 1 58 SER H . . 4.460 3.509 3.451 3.561 . 0 0 "[ . 1 . 2]" 1
678 1 56 LEU HA 1 58 SER HB2 . . 5.750 5.390 5.265 5.514 . 0 0 "[ . 1 . 2]" 1
679 1 56 LEU HA 1 59 CYS H . . 4.190 3.366 3.279 3.479 . 0 0 "[ . 1 . 2]" 1
680 1 56 LEU HA 1 59 CYS QB . . 5.340 3.303 3.052 3.604 . 0 0 "[ . 1 . 2]" 1
681 1 56 LEU HA 1 64 GLY H . . 4.490 4.401 3.851 4.587 0.097 15 0 "[ . 1 . 2]" 1
682 1 56 LEU HA 1 64 GLY QA . . 4.460 2.346 2.057 2.539 . 0 0 "[ . 1 . 2]" 1
683 1 56 LEU HB2 1 57 THR H . . 5.040 4.535 4.415 4.706 . 0 0 "[ . 1 . 2]" 1
684 1 56 LEU HB2 1 61 LYS HA . . 5.410 5.205 4.707 5.515 0.105 18 0 "[ . 1 . 2]" 1
685 1 56 LEU HB2 1 64 GLY QA . . 5.650 3.059 2.383 3.477 . 0 0 "[ . 1 . 2]" 1
686 1 56 LEU HB2 1 68 LEU MD1 . . 7.280 4.613 4.064 5.820 . 0 0 "[ . 1 . 2]" 1
687 1 56 LEU HB3 1 57 THR H . . 5.470 4.444 3.771 4.577 . 0 0 "[ . 1 . 2]" 1
688 1 56 LEU HB3 1 64 GLY H . . 6.060 6.071 5.937 6.277 0.217 18 0 "[ . 1 . 2]" 1
689 1 56 LEU HB3 1 68 LEU HA . . 5.270 4.686 4.275 5.354 0.084 18 0 "[ . 1 . 2]" 1
690 1 56 LEU HB3 1 68 LEU QB . . 5.650 2.869 2.519 3.849 . 0 0 "[ . 1 . 2]" 1
691 1 56 LEU MD1 1 58 SER H . . 6.670 4.828 4.658 6.153 . 0 0 "[ . 1 . 2]" 1
692 1 56 LEU MD1 1 59 CYS H . . 7.260 5.348 5.205 6.202 . 0 0 "[ . 1 . 2]" 1
693 1 56 LEU MD1 1 64 GLY QA . . 6.750 4.306 2.901 4.878 . 0 0 "[ . 1 . 2]" 1
694 1 56 LEU MD1 1 68 LEU HA . . 8.720 6.741 5.078 7.227 . 0 0 "[ . 1 . 2]" 1
695 1 56 LEU MD1 1 68 LEU QB . . 7.210 4.733 2.940 5.244 . 0 0 "[ . 1 . 2]" 1
696 1 56 LEU MD2 1 68 LEU QB . . 6.390 3.311 2.906 4.787 . 0 0 "[ . 1 . 2]" 1
697 1 57 THR H 1 57 THR HB . . 4.120 2.655 2.625 2.676 . 0 0 "[ . 1 . 2]" 1
698 1 57 THR H 1 57 THR MG . . 4.780 3.861 3.853 3.869 . 0 0 "[ . 1 . 2]" 1
699 1 57 THR HA 1 58 SER H . . 5.460 3.205 3.188 3.227 . 0 0 "[ . 1 . 2]" 1
700 1 57 THR HA 1 59 CYS H . . 4.550 3.938 3.788 4.058 . 0 0 "[ . 1 . 2]" 1
701 1 57 THR HA 1 64 GLY QA . . 7.100 5.736 5.490 6.026 . 0 0 "[ . 1 . 2]" 1
702 1 57 THR HB 1 58 SER H . . 4.890 3.731 3.693 3.751 . 0 0 "[ . 1 . 2]" 1
703 1 57 THR HB 1 58 SER HA . . 4.690 4.516 4.463 4.546 . 0 0 "[ . 1 . 2]" 1
704 1 57 THR MG 1 58 SER H . . 5.470 4.246 4.233 4.260 . 0 0 "[ . 1 . 2]" 1
705 1 57 THR MG 1 59 CYS H . . 6.400 5.154 5.048 5.251 . 0 0 "[ . 1 . 2]" 1
706 1 58 SER H 1 58 SER HB2 . . 3.880 2.677 2.648 2.723 . 0 0 "[ . 1 . 2]" 1
707 1 58 SER H 1 58 SER HB3 . . 4.330 3.834 3.818 3.858 . 0 0 "[ . 1 . 2]" 1
708 1 58 SER HA 1 59 CYS H . . 3.520 3.436 3.408 3.485 . 0 0 "[ . 1 . 2]" 1
709 1 58 SER HB2 1 59 CYS H . . 4.040 3.368 3.231 3.435 . 0 0 "[ . 1 . 2]" 1
710 1 58 SER HB3 1 59 CYS H . . 4.330 4.225 4.124 4.278 . 0 0 "[ . 1 . 2]" 1
711 1 59 CYS HA 1 60 THR H . . 4.700 2.592 2.547 2.663 . 0 0 "[ . 1 . 2]" 1
712 1 59 CYS HA 1 63 VAL HB . . 4.450 4.216 4.103 4.411 . 0 0 "[ . 1 . 2]" 1
713 1 59 CYS QB 1 60 THR H . . 4.690 2.125 2.045 2.201 . 0 0 "[ . 1 . 2]" 1
714 1 59 CYS QB 1 60 THR HA . . 5.300 4.256 4.238 4.303 . 0 0 "[ . 1 . 2]" 1
715 1 59 CYS QB 1 63 VAL H . . 5.720 4.118 4.019 4.290 . 0 0 "[ . 1 . 2]" 1
716 1 59 CYS QB 1 63 VAL HA . . 5.700 4.442 4.367 4.583 . 0 0 "[ . 1 . 2]" 1
717 1 59 CYS QB 1 63 VAL HB . . 4.650 2.046 1.943 2.253 . 0 0 "[ . 1 . 2]" 1
718 1 59 CYS QB 1 64 GLY H . . 5.330 2.849 2.734 3.121 . 0 0 "[ . 1 . 2]" 1
719 1 60 THR O 1 64 GLY H . . 2.200 1.723 1.695 1.782 . 0 0 "[ . 1 . 2]" 1
720 1 60 THR O 1 64 GLY N . . 3.300 2.677 2.664 2.696 . 0 0 "[ . 1 . 2]" 1
721 1 61 LYS H 1 62 GLU H . . 4.840 2.818 2.712 2.881 . 0 0 "[ . 1 . 2]" 1
722 1 61 LYS H 1 62 GLU HB2 . . 5.390 5.124 4.943 5.324 . 0 0 "[ . 1 . 2]" 1
723 1 61 LYS H 1 63 VAL H . . 5.610 4.206 4.057 4.273 . 0 0 "[ . 1 . 2]" 1
724 1 61 LYS H 1 63 VAL HB . . 5.340 5.310 5.128 5.409 0.069 14 0 "[ . 1 . 2]" 1
725 1 61 LYS HA 1 62 GLU H . . 5.010 3.667 3.651 3.677 . 0 0 "[ . 1 . 2]" 1
726 1 61 LYS HA 1 62 GLU HA . . 4.990 4.686 4.669 4.722 . 0 0 "[ . 1 . 2]" 1
727 1 61 LYS HA 1 62 GLU HB3 . . 7.000 6.400 5.959 6.695 . 0 0 "[ . 1 . 2]" 1
728 1 61 LYS HA 1 65 LYS H . . 5.550 4.121 3.971 4.378 . 0 0 "[ . 1 . 2]" 1
729 1 61 LYS HA 1 65 LYS HB2 . . 5.080 4.829 4.592 5.163 0.083 16 0 "[ . 1 . 2]" 1
730 1 61 LYS HB2 1 62 GLU H . . 4.600 3.378 2.658 3.863 . 0 0 "[ . 1 . 2]" 1
731 1 61 LYS HB3 1 62 GLU HA . . 5.860 5.074 4.224 5.607 . 0 0 "[ . 1 . 2]" 1
732 1 62 GLU H 1 62 GLU HB2 . . 4.270 2.483 2.410 2.578 . 0 0 "[ . 1 . 2]" 1
733 1 62 GLU H 1 62 GLU HG2 . . 5.260 3.976 2.421 4.671 . 0 0 "[ . 1 . 2]" 1
734 1 62 GLU H 1 63 VAL H . . 4.660 2.577 2.514 2.617 . 0 0 "[ . 1 . 2]" 1
735 1 62 GLU H 1 63 VAL HB . . 4.810 4.783 4.712 4.817 0.007 2 0 "[ . 1 . 2]" 1
736 1 62 GLU H 1 64 GLY H . . 5.320 4.093 4.025 4.139 . 0 0 "[ . 1 . 2]" 1
737 1 62 GLU HA 1 63 VAL H . . 4.870 3.588 3.562 3.604 . 0 0 "[ . 1 . 2]" 1
738 1 62 GLU HA 1 65 LYS H . . 5.250 3.259 3.129 3.391 . 0 0 "[ . 1 . 2]" 1
739 1 62 GLU HA 1 65 LYS HA . . 5.470 5.272 5.022 5.477 0.007 14 0 "[ . 1 . 2]" 1
740 1 62 GLU HA 1 65 LYS HB2 . . 4.460 3.292 2.841 3.575 . 0 0 "[ . 1 . 2]" 1
741 1 62 GLU HA 1 65 LYS HB3 . . 3.680 2.772 2.344 2.995 . 0 0 "[ . 1 . 2]" 1
742 1 62 GLU HA 1 65 LYS QE . . 7.040 5.035 2.921 6.277 . 0 0 "[ . 1 . 2]" 1
743 1 62 GLU HA 1 66 ALA H . . 4.450 4.110 3.960 4.275 . 0 0 "[ . 1 . 2]" 1
744 1 62 GLU HB2 1 63 VAL H . . 4.280 3.174 2.654 3.927 . 0 0 "[ . 1 . 2]" 1
745 1 62 GLU HB3 1 63 VAL H . . 5.400 3.236 2.584 3.688 . 0 0 "[ . 1 . 2]" 1
746 1 62 GLU O 1 66 ALA H . . 2.200 2.001 1.860 2.096 . 0 0 "[ . 1 . 2]" 1
747 1 62 GLU O 1 66 ALA N . . 3.300 2.951 2.830 3.026 . 0 0 "[ . 1 . 2]" 1
748 1 63 VAL H 1 63 VAL HB . . 4.100 2.463 2.429 2.493 . 0 0 "[ . 1 . 2]" 1
749 1 63 VAL H 1 64 GLY H . . 4.600 2.612 2.585 2.649 . 0 0 "[ . 1 . 2]" 1
750 1 63 VAL H 1 65 LYS H . . 4.190 3.889 3.747 3.982 . 0 0 "[ . 1 . 2]" 1
751 1 63 VAL H 1 66 ALA MB . . 6.540 5.030 4.935 5.182 . 0 0 "[ . 1 . 2]" 1
752 1 63 VAL HA 1 64 GLY H . . 5.260 3.585 3.568 3.597 . 0 0 "[ . 1 . 2]" 1
753 1 63 VAL HA 1 65 LYS H . . 4.290 4.101 3.909 4.234 . 0 0 "[ . 1 . 2]" 1
754 1 63 VAL HA 1 66 ALA H . . 3.680 3.381 3.203 3.433 . 0 0 "[ . 1 . 2]" 1
755 1 63 VAL HA 1 66 ALA MB . . 4.260 2.892 2.769 3.013 . 0 0 "[ . 1 . 2]" 1
756 1 63 VAL HA 1 67 ALA H . . 5.540 3.809 3.726 4.000 . 0 0 "[ . 1 . 2]" 1
757 1 63 VAL HB 1 64 GLY H . . 5.020 2.549 2.494 2.584 . 0 0 "[ . 1 . 2]" 1
758 1 63 VAL HB 1 66 ALA MB . . 7.120 5.402 5.257 5.519 . 0 0 "[ . 1 . 2]" 1
759 1 63 VAL HB 1 67 ALA H . . 5.550 5.471 5.439 5.515 . 0 0 "[ . 1 . 2]" 1
760 1 63 VAL O 1 67 ALA H . . 2.200 1.734 1.717 1.769 . 0 0 "[ . 1 . 2]" 1
761 1 63 VAL O 1 67 ALA N . . 3.300 2.710 2.692 2.735 . 0 0 "[ . 1 . 2]" 1
762 1 64 GLY H 1 65 LYS H . . 5.060 2.723 2.630 2.773 . 0 0 "[ . 1 . 2]" 1
763 1 64 GLY H 1 66 ALA H . . 4.340 4.314 4.238 4.377 0.037 17 0 "[ . 1 . 2]" 1
764 1 64 GLY H 1 67 ALA H . . 5.490 4.630 4.556 4.664 . 0 0 "[ . 1 . 2]" 1
765 1 64 GLY H 1 67 ALA MB . . 5.600 4.489 4.367 4.546 . 0 0 "[ . 1 . 2]" 1
766 1 64 GLY QA 1 65 LYS H . . 5.150 2.842 2.817 2.897 . 0 0 "[ . 1 . 2]" 1
767 1 64 GLY QA 1 66 ALA H . . 5.000 4.156 4.097 4.263 . 0 0 "[ . 1 . 2]" 1
768 1 64 GLY QA 1 66 ALA MB . . 6.970 4.882 4.753 4.954 . 0 0 "[ . 1 . 2]" 1
769 1 64 GLY QA 1 67 ALA H . . 4.670 3.368 3.128 3.459 . 0 0 "[ . 1 . 2]" 1
770 1 64 GLY QA 1 67 ALA HA . . 6.390 5.161 4.835 5.285 . 0 0 "[ . 1 . 2]" 1
771 1 64 GLY QA 1 67 ALA MB . . 4.570 2.446 2.227 2.576 . 0 0 "[ . 1 . 2]" 1
772 1 64 GLY QA 1 68 LEU H . . 5.420 3.563 3.428 3.696 . 0 0 "[ . 1 . 2]" 1
773 1 64 GLY O 1 68 LEU H . . 2.200 1.893 1.840 2.001 . 0 0 "[ . 1 . 2]" 1
774 1 64 GLY O 1 68 LEU N . . 3.300 2.774 2.732 2.825 . 0 0 "[ . 1 . 2]" 1
775 1 65 LYS H 1 65 LYS HB2 . . 3.910 2.635 2.559 2.828 . 0 0 "[ . 1 . 2]" 1
776 1 65 LYS H 1 66 ALA H . . 5.030 2.514 2.439 2.574 . 0 0 "[ . 1 . 2]" 1
777 1 65 LYS H 1 66 ALA MB . . 5.340 4.284 4.219 4.344 . 0 0 "[ . 1 . 2]" 1
778 1 65 LYS HA 1 66 ALA H . . 5.360 3.612 3.595 3.621 . 0 0 "[ . 1 . 2]" 1
779 1 65 LYS HA 1 66 ALA MB . . 6.600 5.114 5.101 5.119 . 0 0 "[ . 1 . 2]" 1
780 1 65 LYS HA 1 68 LEU H . . 4.090 3.474 3.336 3.628 . 0 0 "[ . 1 . 2]" 1
781 1 65 LYS HA 1 68 LEU HA . . 6.170 5.530 5.366 5.779 . 0 0 "[ . 1 . 2]" 1
782 1 65 LYS HA 1 68 LEU QB . . 4.830 2.798 2.594 3.917 . 0 0 "[ . 1 . 2]" 1
783 1 65 LYS HA 1 68 LEU MD1 . . 6.740 5.205 3.972 5.525 . 0 0 "[ . 1 . 2]" 1
784 1 65 LYS HA 1 69 GLU H . . 5.320 4.169 4.033 4.304 . 0 0 "[ . 1 . 2]" 1
785 1 65 LYS HA 1 69 GLU HB3 . . 5.830 5.845 5.679 5.968 0.138 17 0 "[ . 1 . 2]" 1
786 1 65 LYS HB2 1 66 ALA H . . 3.920 3.897 3.830 3.939 0.019 1 0 "[ . 1 . 2]" 1
787 1 65 LYS HB3 1 66 ALA H . . 4.400 2.555 2.469 2.642 . 0 0 "[ . 1 . 2]" 1
788 1 65 LYS HG2 1 66 ALA HA . . 4.370 3.966 3.399 4.647 0.277 17 0 "[ . 1 . 2]" 1
789 1 65 LYS HG3 1 69 GLU H . . 6.380 5.718 4.472 6.391 0.011 16 0 "[ . 1 . 2]" 1
790 1 65 LYS O 1 69 GLU H . . 2.380 2.075 1.962 2.221 . 0 0 "[ . 1 . 2]" 1
791 1 65 LYS O 1 69 GLU N . . 3.300 2.956 2.800 3.073 . 0 0 "[ . 1 . 2]" 1
792 1 66 ALA H 1 67 ALA H . . 4.540 2.565 2.520 2.594 . 0 0 "[ . 1 . 2]" 1
793 1 66 ALA H 1 67 ALA MB . . 5.260 4.292 4.250 4.318 . 0 0 "[ . 1 . 2]" 1
794 1 66 ALA H 1 68 LEU H . . 5.290 3.983 3.898 4.165 . 0 0 "[ . 1 . 2]" 1
795 1 66 ALA HA 1 67 ALA H . . 4.430 3.600 3.585 3.612 . 0 0 "[ . 1 . 2]" 1
796 1 66 ALA HA 1 69 GLU H . . 4.230 3.376 3.185 3.470 . 0 0 "[ . 1 . 2]" 1
797 1 66 ALA HA 1 69 GLU HA . . 5.700 5.554 5.281 5.701 0.001 20 0 "[ . 1 . 2]" 1
798 1 66 ALA HA 1 69 GLU HB2 . . 5.120 3.686 3.388 3.883 . 0 0 "[ . 1 . 2]" 1
799 1 66 ALA HA 1 69 GLU HB3 . . 5.190 2.984 2.711 3.123 . 0 0 "[ . 1 . 2]" 1
800 1 66 ALA MB 1 67 ALA H . . 3.700 2.543 2.526 2.583 . 0 0 "[ . 1 . 2]" 1
801 1 66 ALA MB 1 67 ALA HA . . 4.730 3.734 3.721 3.747 . 0 0 "[ . 1 . 2]" 1
802 1 66 ALA MB 1 69 GLU HB2 . . 6.250 5.172 4.928 5.339 . 0 0 "[ . 1 . 2]" 1
803 1 66 ALA MB 1 69 GLU HB3 . . 5.560 4.309 4.059 4.473 . 0 0 "[ . 1 . 2]" 1
804 1 66 ALA O 1 70 LYS H . . 2.200 1.865 1.795 2.024 . 0 0 "[ . 1 . 2]" 1
805 1 66 ALA O 1 70 LYS N . . 3.300 2.838 2.774 2.997 . 0 0 "[ . 1 . 2]" 1
806 1 67 ALA H 1 67 ALA MB . . 3.660 2.267 2.234 2.273 . 0 0 "[ . 1 . 2]" 1
807 1 67 ALA H 1 68 LEU QB . . 5.780 4.482 4.387 5.023 . 0 0 "[ . 1 . 2]" 1
808 1 67 ALA H 1 69 GLU H . . 5.220 4.123 4.016 4.196 . 0 0 "[ . 1 . 2]" 1
809 1 67 ALA H 1 69 GLU HB2 . . 6.100 6.103 5.973 6.161 0.061 3 0 "[ . 1 . 2]" 1
810 1 67 ALA H 1 70 LYS QB . . 6.310 4.810 4.645 5.028 . 0 0 "[ . 1 . 2]" 1
811 1 67 ALA HA 1 71 GLN H . . 5.560 3.878 3.688 4.032 . 0 0 "[ . 1 . 2]" 1
812 1 67 ALA MB 1 68 LEU H . . 4.440 2.676 2.657 2.721 . 0 0 "[ . 1 . 2]" 1
813 1 67 ALA MB 1 68 LEU HA . . 5.000 3.731 3.720 3.751 . 0 0 "[ . 1 . 2]" 1
814 1 67 ALA MB 1 71 GLN HB3 . . 7.400 5.685 5.464 5.975 . 0 0 "[ . 1 . 2]" 1
815 1 67 ALA O 1 71 GLN H . . 2.360 1.845 1.776 1.979 . 0 0 "[ . 1 . 2]" 1
816 1 67 ALA O 1 71 GLN N . . 3.300 2.787 2.732 2.930 . 0 0 "[ . 1 . 2]" 1
817 1 68 LEU H 1 68 LEU MD1 . . 5.320 4.111 3.958 4.323 . 0 0 "[ . 1 . 2]" 1
818 1 68 LEU H 1 68 LEU HG . . 5.080 4.316 2.456 4.431 . 0 0 "[ . 1 . 2]" 1
819 1 68 LEU H 1 69 GLU H . . 4.680 2.601 2.517 2.631 . 0 0 "[ . 1 . 2]" 1
820 1 68 LEU HA 1 69 GLU H . . 4.610 3.616 3.566 3.627 . 0 0 "[ . 1 . 2]" 1
821 1 68 LEU HA 1 70 LYS H . . 4.880 4.491 4.399 4.603 . 0 0 "[ . 1 . 2]" 1
822 1 68 LEU HA 1 71 GLN H . . 4.410 3.381 3.141 3.641 . 0 0 "[ . 1 . 2]" 1
823 1 68 LEU HA 1 71 GLN HB2 . . 4.800 2.741 2.458 3.134 . 0 0 "[ . 1 . 2]" 1
824 1 68 LEU HA 1 72 ILE H . . 4.160 3.828 3.598 3.943 . 0 0 "[ . 1 . 2]" 1
825 1 68 LEU QB 1 69 GLU H . . 4.390 2.762 2.617 3.761 . 0 0 "[ . 1 . 2]" 1
826 1 68 LEU QB 1 72 ILE H . . 6.110 5.016 4.420 5.125 . 0 0 "[ . 1 . 2]" 1
827 1 68 LEU MD1 1 69 GLU H . . 5.520 4.571 3.285 4.908 . 0 0 "[ . 1 . 2]" 1
828 1 68 LEU HG 1 69 GLU H . . 4.950 3.853 2.357 4.210 . 0 0 "[ . 1 . 2]" 1
829 1 68 LEU HG 1 69 GLU HA . . 5.430 3.580 3.422 4.025 . 0 0 "[ . 1 . 2]" 1
830 1 68 LEU HG 1 69 GLU HB2 . . 5.230 4.893 3.585 5.420 0.190 20 0 "[ . 1 . 2]" 1
831 1 68 LEU HG 1 72 ILE H . . 5.790 4.181 3.863 5.513 . 0 0 "[ . 1 . 2]" 1
832 1 68 LEU HG 1 72 ILE MD . . 7.380 3.145 1.901 6.307 . 0 0 "[ . 1 . 2]" 1
833 1 68 LEU O 1 72 ILE H . . 2.200 1.821 1.777 1.886 . 0 0 "[ . 1 . 2]" 1
834 1 68 LEU O 1 72 ILE N . . 3.300 2.750 2.700 2.821 . 0 0 "[ . 1 . 2]" 1
835 1 69 GLU H 1 69 GLU HB3 . . 4.060 2.516 2.469 2.548 . 0 0 "[ . 1 . 2]" 1
836 1 69 GLU H 1 69 GLU HG2 . . 4.380 4.478 4.458 4.492 0.112 5 0 "[ . 1 . 2]" 1
837 1 69 GLU H 1 69 GLU HG3 . . 4.510 4.505 4.464 4.530 0.020 16 0 "[ . 1 . 2]" 1
838 1 69 GLU H 1 70 LYS H . . 4.570 2.468 2.429 2.503 . 0 0 "[ . 1 . 2]" 1
839 1 69 GLU H 1 70 LYS QB . . 5.550 4.349 4.217 4.529 . 0 0 "[ . 1 . 2]" 1
840 1 69 GLU H 1 71 GLN H . . 4.170 4.017 3.886 4.142 . 0 0 "[ . 1 . 2]" 1
841 1 69 GLU H 1 72 ILE HB . . 5.470 5.079 4.884 5.353 . 0 0 "[ . 1 . 2]" 1
842 1 69 GLU H 1 72 ILE MG . . 7.410 5.851 4.356 6.330 . 0 0 "[ . 1 . 2]" 1
843 1 69 GLU HA 1 70 LYS H . . 4.910 3.587 3.568 3.608 . 0 0 "[ . 1 . 2]" 1
844 1 69 GLU HA 1 72 ILE H . . 4.330 3.374 3.259 3.482 . 0 0 "[ . 1 . 2]" 1
845 1 69 GLU HA 1 72 ILE MD . . 6.660 4.091 2.392 5.346 . 0 0 "[ . 1 . 2]" 1
846 1 69 GLU HA 1 72 ILE MG . . 4.940 3.642 2.142 4.141 . 0 0 "[ . 1 . 2]" 1
847 1 69 GLU HA 1 73 GLU H . . 4.690 4.099 3.923 4.304 . 0 0 "[ . 1 . 2]" 1
848 1 69 GLU HB2 1 70 LYS H . . 3.840 3.853 3.839 3.871 0.031 4 0 "[ . 1 . 2]" 1
849 1 69 GLU HB2 1 70 LYS HA . . 5.600 5.550 5.525 5.561 . 0 0 "[ . 1 . 2]" 1
850 1 69 GLU HB2 1 72 ILE H . . 5.890 5.671 5.562 5.770 . 0 0 "[ . 1 . 2]" 1
851 1 69 GLU HB3 1 70 LYS H . . 4.560 2.553 2.507 2.629 . 0 0 "[ . 1 . 2]" 1
852 1 69 GLU HB3 1 72 ILE H . . 5.650 5.465 5.351 5.583 . 0 0 "[ . 1 . 2]" 1
853 1 69 GLU HG2 1 70 LYS H . . 4.560 3.897 3.800 4.069 . 0 0 "[ . 1 . 2]" 1
854 1 69 GLU O 1 73 GLU H . . 2.200 2.053 1.893 2.296 0.096 16 0 "[ . 1 . 2]" 1
855 1 69 GLU O 1 73 GLU N . . 3.300 2.917 2.814 3.124 . 0 0 "[ . 1 . 2]" 1
856 1 70 LYS H 1 70 LYS QB . . 3.730 2.334 2.265 2.453 . 0 0 "[ . 1 . 2]" 1
857 1 70 LYS H 1 71 GLN H . . 4.570 2.748 2.702 2.807 . 0 0 "[ . 1 . 2]" 1
858 1 70 LYS H 1 72 ILE H . . 4.210 4.116 4.045 4.179 . 0 0 "[ . 1 . 2]" 1
859 1 70 LYS HA 1 71 GLN H . . 4.780 3.626 3.612 3.647 . 0 0 "[ . 1 . 2]" 1
860 1 70 LYS HA 1 72 ILE H . . 4.750 4.491 4.396 4.614 . 0 0 "[ . 1 . 2]" 1
861 1 70 LYS QB 1 71 GLN H . . 4.570 2.602 2.531 2.693 . 0 0 "[ . 1 . 2]" 1
862 1 70 LYS QB 1 72 ILE H . . 5.930 4.733 4.666 4.808 . 0 0 "[ . 1 . 2]" 1
863 1 70 LYS O 1 74 GLU H . . 2.380 2.221 2.085 2.367 . 0 0 "[ . 1 . 2]" 1
864 1 70 LYS O 1 74 GLU N . . 3.300 3.163 3.047 3.303 0.003 16 0 "[ . 1 . 2]" 1
865 1 71 GLN H 1 71 GLN QG . . 5.040 2.485 2.433 2.536 . 0 0 "[ . 1 . 2]" 1
866 1 71 GLN H 1 72 ILE H . . 4.610 2.601 2.562 2.661 . 0 0 "[ . 1 . 2]" 1
867 1 71 GLN H 1 73 GLU H . . 4.820 4.052 3.902 4.140 . 0 0 "[ . 1 . 2]" 1
868 1 71 GLN H 1 74 GLU H . . 5.880 4.804 4.726 4.879 . 0 0 "[ . 1 . 2]" 1
869 1 71 GLN HA 1 72 ILE H . . 5.180 3.622 3.603 3.646 . 0 0 "[ . 1 . 2]" 1
870 1 71 GLN HB2 1 72 ILE H . . 4.840 2.835 2.767 2.937 . 0 0 "[ . 1 . 2]" 1
871 1 71 GLN HB2 1 72 ILE HA . . 5.550 4.326 4.285 4.372 . 0 0 "[ . 1 . 2]" 1
872 1 71 GLN HB2 1 72 ILE MD . . 7.700 4.782 4.245 5.719 . 0 0 "[ . 1 . 2]" 1
873 1 71 GLN HB3 1 72 ILE H . . 5.200 3.751 3.686 3.850 . 0 0 "[ . 1 . 2]" 1
874 1 71 GLN HB3 1 72 ILE MD . . 7.740 5.261 4.353 6.286 . 0 0 "[ . 1 . 2]" 1
875 1 71 GLN QG 1 72 ILE HA . . 6.600 5.763 5.696 5.794 . 0 0 "[ . 1 . 2]" 1
876 1 71 GLN O 1 75 ILE H . . 2.320 2.009 1.850 2.118 . 0 0 "[ . 1 . 2]" 1
877 1 71 GLN O 1 75 ILE N . . 3.300 2.898 2.789 2.977 . 0 0 "[ . 1 . 2]" 1
878 1 72 ILE H 1 72 ILE HB . . 3.900 2.346 2.297 2.385 . 0 0 "[ . 1 . 2]" 1
879 1 72 ILE H 1 72 ILE MG . . 4.450 3.464 2.411 3.740 . 0 0 "[ . 1 . 2]" 1
880 1 72 ILE H 1 73 GLU H . . 4.480 2.624 2.546 2.667 . 0 0 "[ . 1 . 2]" 1
881 1 72 ILE H 1 73 GLU QB . . 5.950 4.700 4.613 4.754 . 0 0 "[ . 1 . 2]" 1
882 1 72 ILE HA 1 73 GLU H . . 4.600 3.586 3.517 3.613 . 0 0 "[ . 1 . 2]" 1
883 1 72 ILE HA 1 75 ILE H . . 3.620 3.225 2.955 3.487 . 0 0 "[ . 1 . 2]" 1
884 1 72 ILE HA 1 75 ILE HG13 . . 5.490 3.505 3.051 4.036 . 0 0 "[ . 1 . 2]" 1
885 1 72 ILE HA 1 76 ASN H . . 5.310 4.020 3.885 4.123 . 0 0 "[ . 1 . 2]" 1
886 1 72 ILE HB 1 73 GLU H . . 3.910 3.102 2.776 4.014 0.104 5 0 "[ . 1 . 2]" 1
887 1 72 ILE HB 1 75 ILE H . . 5.800 5.452 5.376 5.638 . 0 0 "[ . 1 . 2]" 1
888 1 72 ILE MD 1 74 GLU H . . 8.150 6.205 5.752 6.684 . 0 0 "[ . 1 . 2]" 1
889 1 72 ILE MG 1 73 GLU H . . 4.900 3.170 2.293 3.452 . 0 0 "[ . 1 . 2]" 1
890 1 72 ILE MG 1 74 GLU H . . 6.280 4.805 4.405 4.957 . 0 0 "[ . 1 . 2]" 1
891 1 72 ILE O 1 76 ASN H . . 2.200 1.914 1.863 2.042 . 0 0 "[ . 1 . 2]" 1
892 1 72 ILE O 1 76 ASN N . . 3.300 2.778 2.737 2.845 . 0 0 "[ . 1 . 2]" 1
893 1 73 GLU H 1 73 GLU QB . . 3.790 2.390 2.356 2.408 . 0 0 "[ . 1 . 2]" 1
894 1 73 GLU H 1 73 GLU HG3 . . 4.860 2.702 2.480 3.752 . 0 0 "[ . 1 . 2]" 1
895 1 73 GLU H 1 74 GLU H . . 4.260 2.536 2.494 2.559 . 0 0 "[ . 1 . 2]" 1
896 1 73 GLU H 1 75 ILE H . . 4.720 3.919 3.790 4.059 . 0 0 "[ . 1 . 2]" 1
897 1 73 GLU H 1 76 ASN H . . 5.300 4.519 4.477 4.556 . 0 0 "[ . 1 . 2]" 1
898 1 73 GLU HA 1 74 GLU H . . 4.320 3.614 3.592 3.634 . 0 0 "[ . 1 . 2]" 1
899 1 73 GLU HA 1 76 ASN H . . 3.920 3.170 3.118 3.263 . 0 0 "[ . 1 . 2]" 1
900 1 73 GLU HA 1 76 ASN HB2 . . 3.880 3.016 2.841 3.228 . 0 0 "[ . 1 . 2]" 1
901 1 73 GLU HA 1 76 ASN HB3 . . 5.050 2.691 2.438 2.845 . 0 0 "[ . 1 . 2]" 1
902 1 73 GLU HA 1 77 GLU H . . 4.590 4.187 3.965 4.304 . 0 0 "[ . 1 . 2]" 1
903 1 73 GLU QB 1 74 GLU H . . 4.030 2.672 2.646 2.705 . 0 0 "[ . 1 . 2]" 1
904 1 73 GLU QB 1 74 GLU HA . . 6.090 3.854 3.822 3.897 . 0 0 "[ . 1 . 2]" 1
905 1 73 GLU QB 1 76 ASN H . . 5.550 4.629 4.574 4.679 . 0 0 "[ . 1 . 2]" 1
906 1 73 GLU QB 1 76 ASN HB2 . . 6.180 4.993 4.807 5.197 . 0 0 "[ . 1 . 2]" 1
907 1 73 GLU O 1 77 GLU H . . 2.390 2.055 1.895 2.175 . 0 0 "[ . 1 . 2]" 1
908 1 73 GLU O 1 77 GLU N . . 3.300 2.973 2.850 3.092 . 0 0 "[ . 1 . 2]" 1
909 1 74 GLU H 1 74 GLU HB3 . . 3.900 2.880 2.537 3.623 . 0 0 "[ . 1 . 2]" 1
910 1 74 GLU H 1 74 GLU QG . . 4.900 3.522 2.343 4.079 . 0 0 "[ . 1 . 2]" 1
911 1 74 GLU H 1 75 ILE H . . 4.540 2.634 2.541 2.769 . 0 0 "[ . 1 . 2]" 1
912 1 74 GLU H 1 76 ASN H . . 4.960 3.985 3.901 4.048 . 0 0 "[ . 1 . 2]" 1
913 1 74 GLU HA 1 77 GLU H . . 4.300 3.338 3.259 3.456 . 0 0 "[ . 1 . 2]" 1
914 1 74 GLU O 1 78 GLN H . . 2.530 2.209 2.066 2.383 . 0 0 "[ . 1 . 2]" 1
915 1 74 GLU O 1 78 GLN N . . 3.460 3.134 3.028 3.272 . 0 0 "[ . 1 . 2]" 1
916 1 75 ILE H 1 75 ILE HB . . 3.960 2.513 2.334 3.671 . 0 0 "[ . 1 . 2]" 1
917 1 75 ILE H 1 75 ILE HG12 . . 5.240 2.548 1.992 3.784 . 0 0 "[ . 1 . 2]" 1
918 1 75 ILE H 1 75 ILE HG13 . . 4.800 3.527 2.409 3.799 . 0 0 "[ . 1 . 2]" 1
919 1 75 ILE H 1 75 ILE MG . . 4.680 3.702 2.422 3.812 . 0 0 "[ . 1 . 2]" 1
920 1 75 ILE H 1 76 ASN H . . 4.420 2.477 2.364 2.542 . 0 0 "[ . 1 . 2]" 1
921 1 75 ILE H 1 77 GLU H . . 4.710 4.042 3.962 4.123 . 0 0 "[ . 1 . 2]" 1
922 1 75 ILE HA 1 78 GLN H . . 3.530 3.143 2.856 3.288 . 0 0 "[ . 1 . 2]" 1
923 1 75 ILE HB 1 76 ASN H . . 4.800 2.850 2.705 4.074 . 0 0 "[ . 1 . 2]" 1
924 1 75 ILE MG 1 76 ASN H . . 4.950 3.544 3.331 4.103 . 0 0 "[ . 1 . 2]" 1
925 1 75 ILE MG 1 77 GLU H . . 6.480 4.934 4.855 5.377 . 0 0 "[ . 1 . 2]" 1
926 1 75 ILE O 1 79 ILE H . . 2.300 2.011 1.902 2.201 . 0 0 "[ . 1 . 2]" 1
927 1 75 ILE O 1 79 ILE N . . 3.300 2.879 2.800 3.026 . 0 0 "[ . 1 . 2]" 1
928 1 76 ASN H 1 76 ASN HB3 . . 4.340 2.606 2.540 2.692 . 0 0 "[ . 1 . 2]" 1
929 1 76 ASN H 1 77 GLU H . . 4.550 2.640 2.589 2.677 . 0 0 "[ . 1 . 2]" 1
930 1 76 ASN H 1 78 GLN H . . 5.330 4.098 3.962 4.174 . 0 0 "[ . 1 . 2]" 1
931 1 76 ASN H 1 79 ILE HB . . 5.480 5.241 5.153 5.399 . 0 0 "[ . 1 . 2]" 1
932 1 76 ASN HA 1 77 GLU H . . 5.050 3.622 3.611 3.637 . 0 0 "[ . 1 . 2]" 1
933 1 76 ASN HA 1 79 ILE H . . 4.450 3.160 3.019 3.255 . 0 0 "[ . 1 . 2]" 1
934 1 76 ASN HA 1 80 ARG H . . 4.990 4.174 4.058 4.303 . 0 0 "[ . 1 . 2]" 1
935 1 76 ASN HB2 1 77 GLU H . . 5.450 3.943 3.885 4.017 . 0 0 "[ . 1 . 2]" 1
936 1 76 ASN HB3 1 77 GLU H . . 5.210 2.672 2.594 2.738 . 0 0 "[ . 1 . 2]" 1
937 1 76 ASN HB3 1 79 ILE H . . 5.730 5.289 5.191 5.398 . 0 0 "[ . 1 . 2]" 1
938 1 76 ASN O 1 80 ARG H . . 2.400 1.936 1.869 2.004 . 0 0 "[ . 1 . 2]" 1
939 1 76 ASN O 1 80 ARG N . . 3.440 2.806 2.757 2.866 . 0 0 "[ . 1 . 2]" 1
940 1 77 GLU H 1 77 GLU HB3 . . 4.240 3.104 2.564 3.641 . 0 0 "[ . 1 . 2]" 1
941 1 77 GLU H 1 78 GLN H . . 4.310 2.719 2.687 2.748 . 0 0 "[ . 1 . 2]" 1
942 1 77 GLU H 1 79 ILE H . . 4.240 4.044 3.984 4.131 . 0 0 "[ . 1 . 2]" 1
943 1 77 GLU HA 1 78 GLN H . . 4.840 3.618 3.602 3.628 . 0 0 "[ . 1 . 2]" 1
944 1 77 GLU HA 1 79 ILE H . . 5.470 4.206 4.073 4.312 . 0 0 "[ . 1 . 2]" 1
945 1 77 GLU HA 1 80 ARG H . . 4.400 3.134 3.063 3.194 . 0 0 "[ . 1 . 2]" 1
946 1 77 GLU HA 1 81 LYS H . . 4.780 4.232 4.128 4.368 . 0 0 "[ . 1 . 2]" 1
947 1 77 GLU HB2 1 78 GLN H . . 4.790 3.317 2.655 3.952 . 0 0 "[ . 1 . 2]" 1
948 1 77 GLU O 1 81 LYS H . . 2.200 2.052 1.938 2.172 . 0 0 "[ . 1 . 2]" 1
949 1 77 GLU O 1 81 LYS N . . 3.300 2.944 2.872 3.043 . 0 0 "[ . 1 . 2]" 1
950 1 78 GLN H 1 78 GLN QG . . 5.020 3.441 2.308 4.115 . 0 0 "[ . 1 . 2]" 1
951 1 78 GLN H 1 79 ILE H . . 4.560 2.682 2.602 2.740 . 0 0 "[ . 1 . 2]" 1
952 1 78 GLN O 1 82 GLU H . . 2.400 2.244 2.069 2.350 . 0 0 "[ . 1 . 2]" 1
953 1 78 GLN O 1 82 GLU N . . 3.300 3.169 2.984 3.280 . 0 0 "[ . 1 . 2]" 1
954 1 79 ILE H 1 79 ILE HB . . 3.900 2.413 2.359 2.485 . 0 0 "[ . 1 . 2]" 1
955 1 79 ILE H 1 79 ILE MG . . 4.410 3.749 3.731 3.773 . 0 0 "[ . 1 . 2]" 1
956 1 79 ILE H 1 80 ARG H . . 4.460 2.528 2.453 2.578 . 0 0 "[ . 1 . 2]" 1
957 1 79 ILE H 1 81 LYS H . . 4.430 4.014 3.884 4.067 . 0 0 "[ . 1 . 2]" 1
958 1 79 ILE HA 1 80 ARG H . . 5.540 3.589 3.575 3.605 . 0 0 "[ . 1 . 2]" 1
959 1 79 ILE HA 1 81 LYS H . . 5.780 4.220 4.155 4.317 . 0 0 "[ . 1 . 2]" 1
960 1 79 ILE HA 1 83 LYS H . . 5.040 4.182 4.099 4.428 . 0 0 "[ . 1 . 2]" 1
961 1 79 ILE MG 1 80 ARG H . . 4.920 3.496 3.420 3.605 . 0 0 "[ . 1 . 2]" 1
962 1 79 ILE O 1 83 LYS H . . 2.200 1.919 1.872 2.146 . 0 0 "[ . 1 . 2]" 1
963 1 79 ILE O 1 83 LYS N . . 3.300 2.764 2.710 2.942 . 0 0 "[ . 1 . 2]" 1
964 1 80 ARG O 1 84 GLU H . . 2.550 1.785 1.735 2.071 . 0 0 "[ . 1 . 2]" 1
965 1 80 ARG O 1 84 GLU N . . 3.300 2.755 2.717 2.945 . 0 0 "[ . 1 . 2]" 1
966 1 81 LYS O 1 85 GLU H . . 2.400 2.349 2.314 2.522 0.122 14 0 "[ . 1 . 2]" 1
967 1 81 LYS O 1 85 GLU N . . 3.300 3.236 2.648 3.318 0.018 7 0 "[ . 1 . 2]" 1
968 1 82 GLU O 1 86 ALA H . . 2.380 1.831 1.768 2.247 . 0 0 "[ . 1 . 2]" 1
969 1 82 GLU O 1 86 ALA N . . 3.300 2.795 2.742 3.158 . 0 0 "[ . 1 . 2]" 1
970 1 84 GLU H 1 86 ALA H . . 4.350 4.202 4.118 4.426 0.076 14 0 "[ . 1 . 2]" 1
971 1 84 GLU H 1 88 ALA H . . 5.990 5.938 5.850 6.354 0.364 17 0 "[ . 1 . 2]" 1
972 1 85 GLU HA 1 86 ALA H . . 4.120 3.571 3.557 3.620 . 0 0 "[ . 1 . 2]" 1
973 1 85 GLU HA 1 89 ARG H . . 4.880 4.209 3.657 4.977 0.097 15 0 "[ . 1 . 2]" 1
974 1 85 GLU QB 1 86 ALA H . . 4.700 2.528 2.452 2.605 . 0 0 "[ . 1 . 2]" 1
975 1 85 GLU QB 1 88 ALA H . . 5.610 4.730 4.475 5.442 . 0 0 "[ . 1 . 2]" 1
976 1 85 GLU HG2 1 87 GLU H . . 6.670 6.289 5.309 6.819 0.149 18 0 "[ . 1 . 2]" 1
977 1 85 GLU HG3 1 87 GLU H . . 6.220 6.137 5.487 6.281 0.061 20 0 "[ . 1 . 2]" 1
978 1 86 ALA H 1 87 GLU HB3 . . 5.070 5.057 4.767 5.109 0.039 18 0 "[ . 1 . 2]" 1
979 1 86 ALA HA 1 87 GLU H . . 4.390 3.581 3.385 3.611 . 0 0 "[ . 1 . 2]" 1
980 1 86 ALA HA 1 88 ALA H . . 4.530 4.304 3.966 4.411 . 0 0 "[ . 1 . 2]" 1
981 1 86 ALA MB 1 87 GLU H . . 4.850 2.648 2.554 3.307 . 0 0 "[ . 1 . 2]" 1
982 1 87 GLU H 1 87 GLU HG2 . . 5.300 4.524 4.506 4.699 . 0 0 "[ . 1 . 2]" 1
983 1 87 GLU H 1 87 GLU HG3 . . 5.320 4.520 4.508 4.540 . 0 0 "[ . 1 . 2]" 1
984 1 87 GLU HA 1 88 ALA H . . 4.970 3.564 3.543 3.626 . 0 0 "[ . 1 . 2]" 1
985 1 87 GLU HB3 1 88 ALA H . . 5.300 2.644 2.595 2.699 . 0 0 "[ . 1 . 2]" 1
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