NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597545 |
2n50   |
25688 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n50
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 1465
_Distance_constraint_stats_list.Viol_count 1055
_Distance_constraint_stats_list.Viol_total 801.101
_Distance_constraint_stats_list.Viol_max 0.530
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0380
_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 2 THR 0.003 0.003 1 0 "[ . 1 . 2]"
1 3 ARG 0.636 0.196 20 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.003 0.003 1 0 "[ . 1 . 2]"
1 6 VAL 0.026 0.026 8 0 "[ . 1 . 2]"
1 7 LEU 0.096 0.012 10 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.595 0.059 1 0 "[ . 1 . 2]"
1 10 VAL 2.712 0.117 8 0 "[ . 1 . 2]"
1 11 ALA 0.312 0.156 8 0 "[ . 1 . 2]"
1 12 LYS 0.079 0.036 11 0 "[ . 1 . 2]"
1 13 ILE 0.898 0.059 1 0 "[ . 1 . 2]"
1 14 ILE 1.667 0.117 8 0 "[ . 1 . 2]"
1 15 SER 0.443 0.031 13 0 "[ . 1 . 2]"
1 16 ASN 0.040 0.017 17 0 "[ . 1 . 2]"
1 17 HIS 0.074 0.014 12 0 "[ . 1 . 2]"
1 18 PHE 1.511 0.064 11 0 "[ . 1 . 2]"
1 19 ASP 0.011 0.011 8 0 "[ . 1 . 2]"
1 20 ILE 1.715 0.101 8 0 "[ . 1 . 2]"
1 21 GLU 0.002 0.002 13 0 "[ . 1 . 2]"
1 22 ALA 1.943 0.101 8 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLN 9.816 0.530 2 18 "[*+-**** **** *******]"
1 25 VAL 10.539 0.530 2 18 "[*+-**** **** *******]"
1 26 THR 0.531 0.042 19 0 "[ . 1 . 2]"
1 27 ASP 0.240 0.027 5 0 "[ . 1 . 2]"
1 28 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 2.907 0.154 19 0 "[ . 1 . 2]"
1 30 ASN 3.222 0.143 6 0 "[ . 1 . 2]"
1 31 ILE 5.579 0.154 19 0 "[ . 1 . 2]"
1 32 LYS 0.553 0.065 8 0 "[ . 1 . 2]"
1 33 ASP 0.291 0.087 8 0 "[ . 1 . 2]"
1 34 ASP 0.151 0.037 18 0 "[ . 1 . 2]"
1 35 LEU 0.384 0.043 13 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.644 0.059 12 0 "[ . 1 . 2]"
1 38 ASP 0.962 0.083 6 0 "[ . 1 . 2]"
1 39 SER 0.024 0.010 6 0 "[ . 1 . 2]"
1 40 ILE 0.518 0.041 12 0 "[ . 1 . 2]"
1 41 SER 0.059 0.021 15 0 "[ . 1 . 2]"
1 42 VAL 1.600 0.083 6 0 "[ . 1 . 2]"
1 43 MET 0.076 0.041 12 0 "[ . 1 . 2]"
1 44 GLU 0.460 0.041 2 0 "[ . 1 . 2]"
1 45 PHE 1.457 0.081 8 0 "[ . 1 . 2]"
1 46 VAL 0.347 0.033 14 0 "[ . 1 . 2]"
1 47 LEU 0.174 0.025 7 0 "[ . 1 . 2]"
1 48 GLU 0.600 0.039 8 0 "[ . 1 . 2]"
1 49 LEU 1.132 0.049 8 0 "[ . 1 . 2]"
1 50 GLU 0.503 0.063 10 0 "[ . 1 . 2]"
1 51 ASP 0.136 0.016 20 0 "[ . 1 . 2]"
1 52 GLU 0.319 0.055 11 0 "[ . 1 . 2]"
1 53 PHE 2.320 0.116 2 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ILE 0.418 0.033 14 0 "[ . 1 . 2]"
1 58 SER 0.191 0.031 11 0 "[ . 1 . 2]"
1 59 ASP 0.003 0.003 8 0 "[ . 1 . 2]"
1 60 GLU 0.191 0.031 11 0 "[ . 1 . 2]"
1 61 ASP 2.203 0.242 18 0 "[ . 1 . 2]"
1 62 ALA 2.111 0.145 15 0 "[ . 1 . 2]"
1 63 GLU 0.003 0.003 8 0 "[ . 1 . 2]"
1 64 LYS 0.649 0.076 19 0 "[ . 1 . 2]"
1 65 ILE 3.527 0.242 18 0 "[ . 1 . 2]"
1 66 GLU 1.627 0.145 15 0 "[ . 1 . 2]"
1 67 THR 1.489 0.083 8 0 "[ . 1 . 2]"
1 68 VAL 1.292 0.054 8 0 "[ . 1 . 2]"
1 69 GLY 0.859 0.053 11 0 "[ . 1 . 2]"
1 70 ALA 1.620 0.143 6 0 "[ . 1 . 2]"
1 71 ALA 0.418 0.045 19 0 "[ . 1 . 2]"
1 72 VAL 1.059 0.053 11 0 "[ . 1 . 2]"
1 73 ASP 0.658 0.048 19 0 "[ . 1 . 2]"
1 74 TYR 0.729 0.037 9 0 "[ . 1 . 2]"
1 75 ILE 0.917 0.049 8 0 "[ . 1 . 2]"
1 76 VAL 1.094 0.048 19 0 "[ . 1 . 2]"
1 77 SER 0.027 0.006 15 0 "[ . 1 . 2]"
1 78 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 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 2 THR H 1 2 THR MG . . 3.660 2.064 1.997 2.101 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR H 1 4 GLU H . . 5.150 4.884 4.764 4.984 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR H 1 5 GLU H . . 5.070 3.765 3.674 3.826 . 0 0 "[ . 1 . 2]" 1
4 1 2 THR H 1 5 GLU HA . . 5.490 5.453 5.266 5.493 0.003 1 0 "[ . 1 . 2]" 1
5 1 2 THR H 1 5 GLU HB2 . . 4.460 2.798 2.379 3.620 . 0 0 "[ . 1 . 2]" 1
6 1 2 THR H 1 5 GLU QB . . 3.670 2.599 2.358 2.750 . 0 0 "[ . 1 . 2]" 1
7 1 2 THR H 1 5 GLU HB3 . . 4.460 3.597 2.632 4.225 . 0 0 "[ . 1 . 2]" 1
8 1 2 THR H 1 5 GLU QG . . 4.320 3.683 2.631 4.295 . 0 0 "[ . 1 . 2]" 1
9 1 2 THR H 1 6 VAL H . . 5.700 4.096 4.022 4.201 . 0 0 "[ . 1 . 2]" 1
10 1 2 THR H 1 6 VAL QG . . 5.500 3.718 3.585 3.869 . 0 0 "[ . 1 . 2]" 1
11 1 2 THR HA 1 3 ARG H . . 3.230 2.513 2.493 2.535 . 0 0 "[ . 1 . 2]" 1
12 1 2 THR HA 1 5 GLU H . . 6.000 5.109 5.029 5.152 . 0 0 "[ . 1 . 2]" 1
13 1 2 THR HB 1 5 GLU H . . 6.000 4.574 4.553 4.583 . 0 0 "[ . 1 . 2]" 1
14 1 2 THR MG 1 3 ARG H . . 4.390 3.098 2.986 3.179 . 0 0 "[ . 1 . 2]" 1
15 1 2 THR MG 1 3 ARG QB . . 4.940 4.475 3.911 4.556 . 0 0 "[ . 1 . 2]" 1
16 1 2 THR MG 1 4 GLU H . . 4.300 1.926 1.922 1.933 . 0 0 "[ . 1 . 2]" 1
17 1 2 THR MG 1 5 GLU H . . 5.220 1.844 1.839 1.882 . 0 0 "[ . 1 . 2]" 1
18 1 2 THR MG 1 5 GLU HA . . 4.560 3.961 3.931 3.989 . 0 0 "[ . 1 . 2]" 1
19 1 2 THR MG 1 5 GLU QB . . 4.240 2.239 2.008 2.561 . 0 0 "[ . 1 . 2]" 1
20 1 2 THR MG 1 6 VAL H . . 3.630 3.406 3.349 3.548 . 0 0 "[ . 1 . 2]" 1
21 1 3 ARG H 1 3 ARG QB . . 3.450 2.501 2.168 2.553 . 0 0 "[ . 1 . 2]" 1
22 1 3 ARG H 1 3 ARG QD . . 4.970 3.589 3.218 4.478 . 0 0 "[ . 1 . 2]" 1
23 1 3 ARG H 1 3 ARG QG . . 3.660 2.110 1.943 3.856 0.196 20 0 "[ . 1 . 2]" 1
24 1 3 ARG H 1 4 GLU H . . 3.830 2.708 2.682 2.794 . 0 0 "[ . 1 . 2]" 1
25 1 3 ARG H 1 4 GLU HA . . 5.470 5.302 5.279 5.372 . 0 0 "[ . 1 . 2]" 1
26 1 3 ARG H 1 5 GLU H . . 5.500 4.738 4.668 4.773 . 0 0 "[ . 1 . 2]" 1
27 1 3 ARG H 1 6 VAL H . . 5.860 4.902 4.846 4.924 . 0 0 "[ . 1 . 2]" 1
28 1 3 ARG H 1 6 VAL HB . . 5.330 5.061 5.039 5.150 . 0 0 "[ . 1 . 2]" 1
29 1 3 ARG H 1 76 VAL HB . . 6.000 6.022 6.013 6.027 0.027 1 0 "[ . 1 . 2]" 1
30 1 3 ARG H 1 76 VAL MG1 . . 5.550 3.678 3.583 3.741 . 0 0 "[ . 1 . 2]" 1
31 1 3 ARG H 1 76 VAL MG2 . . 4.990 3.265 3.186 3.405 . 0 0 "[ . 1 . 2]" 1
32 1 3 ARG HA 1 3 ARG HD2 . . 5.350 4.678 3.805 5.288 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG HA 1 3 ARG QD . . 4.710 4.209 3.663 4.264 . 0 0 "[ . 1 . 2]" 1
34 1 3 ARG HA 1 3 ARG HD3 . . 5.350 4.900 4.433 5.334 . 0 0 "[ . 1 . 2]" 1
35 1 3 ARG HA 1 3 ARG QG . . 3.850 3.308 2.664 3.344 . 0 0 "[ . 1 . 2]" 1
36 1 3 ARG HA 1 6 VAL H . . 4.170 3.806 3.706 3.851 . 0 0 "[ . 1 . 2]" 1
37 1 3 ARG HA 1 6 VAL HB . . 4.180 2.724 2.698 2.754 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG HA 1 7 LEU H . . 4.600 3.708 3.551 4.111 . 0 0 "[ . 1 . 2]" 1
39 1 3 ARG HA 1 76 VAL MG2 . . 3.320 1.905 1.892 1.931 . 0 0 "[ . 1 . 2]" 1
40 1 3 ARG QB 1 4 GLU H . . 3.920 3.391 2.736 3.489 . 0 0 "[ . 1 . 2]" 1
41 1 3 ARG QB 1 7 LEU H . . 5.180 4.534 4.424 5.004 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG QB 1 76 VAL MG1 . . 3.860 2.176 2.018 2.280 . 0 0 "[ . 1 . 2]" 1
43 1 3 ARG QB 1 76 VAL MG2 . . 3.290 2.021 1.877 2.278 . 0 0 "[ . 1 . 2]" 1
44 1 3 ARG HB2 1 76 VAL MG1 . . 4.590 3.386 2.135 3.561 . 0 0 "[ . 1 . 2]" 1
45 1 3 ARG HB3 1 76 VAL MG1 . . 4.590 2.265 2.034 3.424 . 0 0 "[ . 1 . 2]" 1
46 1 3 ARG QD 1 4 GLU H . . 5.190 4.249 4.033 4.837 . 0 0 "[ . 1 . 2]" 1
47 1 3 ARG QD 1 76 VAL MG1 . . 4.320 2.954 2.649 3.251 . 0 0 "[ . 1 . 2]" 1
48 1 3 ARG HD2 1 76 VAL MG1 . . 4.970 3.551 2.682 4.439 . 0 0 "[ . 1 . 2]" 1
49 1 3 ARG HD3 1 76 VAL MG1 . . 4.970 3.478 2.763 4.279 . 0 0 "[ . 1 . 2]" 1
50 1 3 ARG QG 1 4 GLU H . . 3.830 2.216 2.031 3.196 . 0 0 "[ . 1 . 2]" 1
51 1 3 ARG QG 1 5 GLU H . . 5.530 4.710 4.556 5.322 . 0 0 "[ . 1 . 2]" 1
52 1 3 ARG QG 1 7 LEU H . . 5.440 5.077 3.729 5.354 . 0 0 "[ . 1 . 2]" 1
53 1 3 ARG QG 1 76 VAL MG1 . . 4.050 3.886 3.713 4.042 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLU H 1 4 GLU HB2 . . 3.790 2.234 2.063 2.641 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU H 1 4 GLU QB . . 3.220 2.203 2.041 2.577 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLU H 1 4 GLU HB3 . . 3.790 3.385 3.162 3.595 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU H 1 4 GLU QG . . 3.840 2.994 1.947 3.663 . 0 0 "[ . 1 . 2]" 1
58 1 4 GLU H 1 5 GLU H . . 3.760 2.896 2.857 2.930 . 0 0 "[ . 1 . 2]" 1
59 1 4 GLU H 1 6 VAL H . . 4.910 4.103 4.000 4.216 . 0 0 "[ . 1 . 2]" 1
60 1 4 GLU H 1 7 LEU H . . 5.210 4.638 4.583 4.816 . 0 0 "[ . 1 . 2]" 1
61 1 4 GLU H 1 7 LEU QB . . 5.350 4.657 4.554 4.964 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLU H 1 7 LEU QD . . 5.920 5.194 5.022 5.505 . 0 0 "[ . 1 . 2]" 1
63 1 4 GLU HA 1 6 VAL H . . 4.680 4.544 4.366 4.664 . 0 0 "[ . 1 . 2]" 1
64 1 4 GLU HA 1 7 LEU QB . . 3.930 2.729 2.691 2.857 . 0 0 "[ . 1 . 2]" 1
65 1 4 GLU HA 1 8 GLN H . . 5.080 3.938 3.817 4.189 . 0 0 "[ . 1 . 2]" 1
66 1 4 GLU QB 1 5 GLU H . . 4.010 2.208 2.064 2.364 . 0 0 "[ . 1 . 2]" 1
67 1 4 GLU QB 1 5 GLU HA . . 4.070 3.676 3.620 3.768 . 0 0 "[ . 1 . 2]" 1
68 1 4 GLU QG 1 5 GLU H . . 5.360 4.046 3.660 4.233 . 0 0 "[ . 1 . 2]" 1
69 1 5 GLU H 1 5 GLU HB2 . . 3.610 2.302 2.068 2.619 . 0 0 "[ . 1 . 2]" 1
70 1 5 GLU H 1 5 GLU HB3 . . 3.610 3.288 2.511 3.595 . 0 0 "[ . 1 . 2]" 1
71 1 5 GLU H 1 5 GLU QG . . 4.430 3.179 2.050 4.049 . 0 0 "[ . 1 . 2]" 1
72 1 5 GLU H 1 6 VAL H . . 3.550 2.869 2.837 2.907 . 0 0 "[ . 1 . 2]" 1
73 1 5 GLU H 1 7 LEU H . . 4.960 4.525 4.475 4.623 . 0 0 "[ . 1 . 2]" 1
74 1 5 GLU H 1 7 LEU QB . . 5.460 5.048 4.995 5.144 . 0 0 "[ . 1 . 2]" 1
75 1 5 GLU H 1 8 GLN H . . 4.970 4.828 4.774 4.912 . 0 0 "[ . 1 . 2]" 1
76 1 5 GLU HA 1 7 LEU H . . 5.070 4.850 4.743 4.989 . 0 0 "[ . 1 . 2]" 1
77 1 5 GLU HA 1 8 GLN QB . . 4.130 2.734 2.673 2.816 . 0 0 "[ . 1 . 2]" 1
78 1 5 GLU QB 1 6 VAL H . . 3.580 2.519 2.389 2.634 . 0 0 "[ . 1 . 2]" 1
79 1 5 GLU QB 1 7 LEU H . . 5.240 4.875 4.810 4.958 . 0 0 "[ . 1 . 2]" 1
80 1 5 GLU HB2 1 6 VAL H . . 4.170 3.023 2.517 3.878 . 0 0 "[ . 1 . 2]" 1
81 1 5 GLU HB3 1 6 VAL H . . 4.170 3.003 2.428 3.637 . 0 0 "[ . 1 . 2]" 1
82 1 5 GLU QG 1 6 VAL H . . 5.260 4.139 3.656 4.457 . 0 0 "[ . 1 . 2]" 1
83 1 6 VAL H 1 6 VAL HB . . 3.240 2.520 2.505 2.535 . 0 0 "[ . 1 . 2]" 1
84 1 6 VAL H 1 6 VAL MG1 . . 4.580 3.761 3.760 3.762 . 0 0 "[ . 1 . 2]" 1
85 1 6 VAL H 1 6 VAL QG . . 3.640 2.144 2.047 2.186 . 0 0 "[ . 1 . 2]" 1
86 1 6 VAL H 1 6 VAL MG2 . . 4.580 2.157 2.056 2.200 . 0 0 "[ . 1 . 2]" 1
87 1 6 VAL H 1 7 LEU H . . 3.630 2.809 2.778 2.872 . 0 0 "[ . 1 . 2]" 1
88 1 6 VAL H 1 8 GLN H . . 4.860 4.197 4.172 4.232 . 0 0 "[ . 1 . 2]" 1
89 1 6 VAL H 1 9 LYS H . . 4.930 4.889 4.826 4.915 . 0 0 "[ . 1 . 2]" 1
90 1 6 VAL H 1 53 PHE QD . . 5.650 5.185 5.113 5.285 . 0 0 "[ . 1 . 2]" 1
91 1 6 VAL H 1 53 PHE QE . . 5.330 4.695 4.619 4.758 . 0 0 "[ . 1 . 2]" 1
92 1 6 VAL H 1 75 ILE MG . . 5.590 5.354 5.201 5.616 0.026 8 0 "[ . 1 . 2]" 1
93 1 6 VAL HA 1 7 LEU QB . . 5.810 5.197 5.194 5.200 . 0 0 "[ . 1 . 2]" 1
94 1 6 VAL HA 1 8 GLN H . . 5.310 4.531 4.499 4.566 . 0 0 "[ . 1 . 2]" 1
95 1 6 VAL HA 1 9 LYS H . . 5.030 3.835 3.811 3.867 . 0 0 "[ . 1 . 2]" 1
96 1 6 VAL HA 1 9 LYS HB2 . . 4.490 2.923 2.855 3.057 . 0 0 "[ . 1 . 2]" 1
97 1 6 VAL HA 1 9 LYS HB3 . . 5.830 4.018 3.753 4.149 . 0 0 "[ . 1 . 2]" 1
98 1 6 VAL HA 1 53 PHE QD . . 4.410 3.647 3.556 3.769 . 0 0 "[ . 1 . 2]" 1
99 1 6 VAL HA 1 53 PHE QE . . 5.420 2.240 2.133 2.356 . 0 0 "[ . 1 . 2]" 1
100 1 6 VAL HA 1 53 PHE HZ . . 5.900 3.120 2.954 3.257 . 0 0 "[ . 1 . 2]" 1
101 1 6 VAL HB 1 7 LEU H . . 3.550 2.327 2.230 2.366 . 0 0 "[ . 1 . 2]" 1
102 1 6 VAL QG 1 7 LEU H . . 4.100 3.046 2.972 3.078 . 0 0 "[ . 1 . 2]" 1
103 1 6 VAL QG 1 7 LEU HA . . 5.560 3.413 3.376 3.433 . 0 0 "[ . 1 . 2]" 1
104 1 6 VAL QG 1 8 GLN H . . 5.210 4.583 4.547 4.609 . 0 0 "[ . 1 . 2]" 1
105 1 6 VAL QG 1 9 LYS H . . 5.500 4.611 4.586 4.643 . 0 0 "[ . 1 . 2]" 1
106 1 6 VAL QG 1 9 LYS HB2 . . 5.630 3.989 3.936 4.126 . 0 0 "[ . 1 . 2]" 1
107 1 6 VAL QG 1 10 VAL H . . 5.920 3.623 3.552 3.703 . 0 0 "[ . 1 . 2]" 1
108 1 6 VAL QG 1 53 PHE QE . . 5.020 2.524 2.453 2.591 . 0 0 "[ . 1 . 2]" 1
109 1 6 VAL QG 1 72 VAL HA . . 3.630 2.386 2.177 2.551 . 0 0 "[ . 1 . 2]" 1
110 1 6 VAL QG 1 72 VAL HB . . 4.170 3.102 2.471 3.268 . 0 0 "[ . 1 . 2]" 1
111 1 6 VAL QG 1 75 ILE H . . 4.670 4.264 4.124 4.401 . 0 0 "[ . 1 . 2]" 1
112 1 6 VAL QG 1 75 ILE HB . . 4.050 2.445 2.272 2.647 . 0 0 "[ . 1 . 2]" 1
113 1 6 VAL QG 1 76 VAL H . . 5.000 3.939 3.757 4.066 . 0 0 "[ . 1 . 2]" 1
114 1 6 VAL MG1 1 7 LEU H . . 4.690 3.219 3.125 3.262 . 0 0 "[ . 1 . 2]" 1
115 1 6 VAL MG1 1 8 GLN H . . 6.000 4.947 4.908 4.972 . 0 0 "[ . 1 . 2]" 1
116 1 6 VAL MG1 1 53 PHE QD . . 6.000 3.202 3.093 3.340 . 0 0 "[ . 1 . 2]" 1
117 1 6 VAL MG1 1 53 PHE HZ . . 6.000 2.440 2.307 2.499 . 0 0 "[ . 1 . 2]" 1
118 1 6 VAL MG1 1 75 ILE MG . . 3.900 2.167 1.952 2.850 . 0 0 "[ . 1 . 2]" 1
119 1 6 VAL MG2 1 7 LEU H . . 4.690 3.760 3.722 3.788 . 0 0 "[ . 1 . 2]" 1
120 1 6 VAL MG2 1 8 GLN H . . 6.000 5.415 5.373 5.453 . 0 0 "[ . 1 . 2]" 1
121 1 6 VAL MG2 1 53 PHE QD . . 6.000 2.786 2.713 2.870 . 0 0 "[ . 1 . 2]" 1
122 1 6 VAL MG2 1 53 PHE HZ . . 6.000 4.005 3.830 4.143 . 0 0 "[ . 1 . 2]" 1
123 1 6 VAL MG2 1 75 ILE MG . . 3.900 2.164 2.037 2.338 . 0 0 "[ . 1 . 2]" 1
124 1 7 LEU H 1 7 LEU HB2 . . 3.470 2.688 2.658 2.704 . 0 0 "[ . 1 . 2]" 1
125 1 7 LEU H 1 7 LEU HB3 . . 3.470 2.334 2.319 2.357 . 0 0 "[ . 1 . 2]" 1
126 1 7 LEU H 1 7 LEU QD . . 4.150 3.654 3.579 3.748 . 0 0 "[ . 1 . 2]" 1
127 1 7 LEU H 1 8 GLN H . . 3.770 2.834 2.807 2.868 . 0 0 "[ . 1 . 2]" 1
128 1 7 LEU H 1 8 GLN HA . . 6.000 5.405 5.383 5.430 . 0 0 "[ . 1 . 2]" 1
129 1 7 LEU H 1 8 GLN QG . . 5.740 4.986 4.743 5.195 . 0 0 "[ . 1 . 2]" 1
130 1 7 LEU H 1 9 LYS H . . 5.120 4.660 4.643 4.683 . 0 0 "[ . 1 . 2]" 1
131 1 7 LEU H 1 10 VAL H . . 5.520 5.013 4.892 5.057 . 0 0 "[ . 1 . 2]" 1
132 1 7 LEU H 1 10 VAL MG2 . . 5.880 4.514 4.456 4.619 . 0 0 "[ . 1 . 2]" 1
133 1 7 LEU H 1 72 VAL HA . . 5.780 5.216 4.966 5.484 . 0 0 "[ . 1 . 2]" 1
134 1 7 LEU H 1 72 VAL QG . . 3.890 3.299 3.040 3.512 . 0 0 "[ . 1 . 2]" 1
135 1 7 LEU HA 1 7 LEU QD . . 4.270 2.786 2.138 3.185 . 0 0 "[ . 1 . 2]" 1
136 1 7 LEU HA 1 8 GLN QG . . 5.580 5.484 5.378 5.570 . 0 0 "[ . 1 . 2]" 1
137 1 7 LEU HA 1 10 VAL H . . 4.470 4.086 4.012 4.122 . 0 0 "[ . 1 . 2]" 1
138 1 7 LEU HA 1 10 VAL HB . . 3.580 3.017 2.811 3.062 . 0 0 "[ . 1 . 2]" 1
139 1 7 LEU HA 1 72 VAL QG . . 3.950 3.354 3.217 3.630 . 0 0 "[ . 1 . 2]" 1
140 1 7 LEU QB 1 8 GLN H . . 3.600 2.552 2.520 2.574 . 0 0 "[ . 1 . 2]" 1
141 1 7 LEU QB 1 8 GLN QG . . 5.370 3.797 3.616 3.940 . 0 0 "[ . 1 . 2]" 1
142 1 7 LEU QB 1 10 VAL HB . . 5.810 4.934 4.761 4.971 . 0 0 "[ . 1 . 2]" 1
143 1 7 LEU QB 1 72 VAL QG . . 3.830 2.342 2.109 2.801 . 0 0 "[ . 1 . 2]" 1
144 1 7 LEU HB2 1 8 GLN H . . 4.220 3.950 3.929 3.964 . 0 0 "[ . 1 . 2]" 1
145 1 7 LEU HB2 1 11 ALA H . . 6.000 6.002 5.948 6.012 0.012 10 0 "[ . 1 . 2]" 1
146 1 7 LEU HB3 1 8 GLN H . . 4.220 2.585 2.551 2.608 . 0 0 "[ . 1 . 2]" 1
147 1 7 LEU HB3 1 11 ALA H . . 6.000 5.894 5.866 5.906 . 0 0 "[ . 1 . 2]" 1
148 1 7 LEU QD 1 8 GLN H . . 4.620 3.019 2.470 3.714 . 0 0 "[ . 1 . 2]" 1
149 1 7 LEU QD 1 11 ALA MB . . 4.060 2.982 2.449 3.346 . 0 0 "[ . 1 . 2]" 1
150 1 7 LEU HG 1 8 GLN QG . . 6.000 4.183 3.403 4.748 . 0 0 "[ . 1 . 2]" 1
151 1 7 LEU HG 1 10 VAL HB . . 6.000 5.005 4.558 5.582 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLN H 1 8 GLN QB . . 3.210 2.238 2.181 2.312 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLN H 1 8 GLN QG . . 3.890 2.690 2.469 2.847 . 0 0 "[ . 1 . 2]" 1
154 1 8 GLN H 1 9 LYS H . . 3.710 2.906 2.897 2.914 . 0 0 "[ . 1 . 2]" 1
155 1 8 GLN H 1 10 VAL H . . 4.970 4.497 4.342 4.523 . 0 0 "[ . 1 . 2]" 1
156 1 8 GLN H 1 10 VAL MG2 . . 6.000 5.232 5.198 5.306 . 0 0 "[ . 1 . 2]" 1
157 1 8 GLN H 1 11 ALA H . . 5.310 4.708 4.680 4.810 . 0 0 "[ . 1 . 2]" 1
158 1 8 GLN HA 1 11 ALA H . . 4.330 3.677 3.638 3.833 . 0 0 "[ . 1 . 2]" 1
159 1 8 GLN HA 1 11 ALA MB . . 4.140 2.638 2.490 2.969 . 0 0 "[ . 1 . 2]" 1
160 1 8 GLN QB 1 9 LYS H . . 3.700 2.285 2.232 2.322 . 0 0 "[ . 1 . 2]" 1
161 1 8 GLN QG 1 11 ALA H . . 6.000 5.531 5.473 5.779 . 0 0 "[ . 1 . 2]" 1
162 1 8 GLN QG 1 12 LYS H . . 6.000 5.790 5.578 5.983 . 0 0 "[ . 1 . 2]" 1
163 1 9 LYS H 1 9 LYS HB2 . . 3.870 2.116 2.073 2.149 . 0 0 "[ . 1 . 2]" 1
164 1 9 LYS H 1 9 LYS QD . . 3.960 2.341 2.169 2.810 . 0 0 "[ . 1 . 2]" 1
165 1 9 LYS H 1 9 LYS QE . . 5.680 3.677 3.108 4.114 . 0 0 "[ . 1 . 2]" 1
166 1 9 LYS H 1 9 LYS QG . . 4.270 3.702 3.633 3.839 . 0 0 "[ . 1 . 2]" 1
167 1 9 LYS H 1 10 VAL H . . 4.010 3.060 2.974 3.082 . 0 0 "[ . 1 . 2]" 1
168 1 9 LYS H 1 10 VAL MG2 . . 4.850 4.646 4.622 4.777 . 0 0 "[ . 1 . 2]" 1
169 1 9 LYS H 1 11 ALA H . . 4.700 4.309 4.281 4.543 . 0 0 "[ . 1 . 2]" 1
170 1 9 LYS H 1 13 ILE MD . . 5.950 5.353 4.586 5.730 . 0 0 "[ . 1 . 2]" 1
171 1 9 LYS HA 1 9 LYS QD . . 4.080 2.659 2.428 2.987 . 0 0 "[ . 1 . 2]" 1
172 1 9 LYS HA 1 9 LYS QE . . 5.080 2.092 1.972 2.228 . 0 0 "[ . 1 . 2]" 1
173 1 9 LYS HA 1 9 LYS QG . . 3.910 2.420 2.317 2.476 . 0 0 "[ . 1 . 2]" 1
174 1 9 LYS HA 1 11 ALA H . . 5.400 4.531 4.495 4.766 . 0 0 "[ . 1 . 2]" 1
175 1 9 LYS HA 1 12 LYS H . . 4.910 3.454 3.415 3.533 . 0 0 "[ . 1 . 2]" 1
176 1 9 LYS HA 1 13 ILE H . . 4.880 3.642 3.628 3.664 . 0 0 "[ . 1 . 2]" 1
177 1 9 LYS HA 1 13 ILE MG . . 6.000 6.030 6.005 6.059 0.059 1 0 "[ . 1 . 2]" 1
178 1 9 LYS HB2 1 10 VAL H . . 3.820 2.756 2.665 2.954 . 0 0 "[ . 1 . 2]" 1
179 1 9 LYS HB2 1 10 VAL MG2 . . 4.690 3.947 3.844 4.241 . 0 0 "[ . 1 . 2]" 1
180 1 9 LYS HB2 1 13 ILE MD . . 5.930 4.178 3.599 4.500 . 0 0 "[ . 1 . 2]" 1
181 1 9 LYS HB2 1 53 PHE QE . . 4.300 2.693 2.626 2.896 . 0 0 "[ . 1 . 2]" 1
182 1 9 LYS HB2 1 53 PHE HZ . . 4.400 3.633 3.436 4.149 . 0 0 "[ . 1 . 2]" 1
183 1 9 LYS HB3 1 10 VAL H . . 4.400 2.571 2.399 2.647 . 0 0 "[ . 1 . 2]" 1
184 1 9 LYS HB3 1 10 VAL HA . . 5.260 3.754 3.717 3.784 . 0 0 "[ . 1 . 2]" 1
185 1 9 LYS HB3 1 10 VAL MG2 . . 4.940 3.408 3.302 3.581 . 0 0 "[ . 1 . 2]" 1
186 1 9 LYS HB3 1 13 ILE HB . . 5.090 4.939 4.877 5.089 . 0 0 "[ . 1 . 2]" 1
187 1 9 LYS HB3 1 13 ILE MD . . 3.690 2.730 2.219 3.111 . 0 0 "[ . 1 . 2]" 1
188 1 9 LYS HB3 1 53 PHE HZ . . 4.450 3.175 2.808 3.543 . 0 0 "[ . 1 . 2]" 1
189 1 9 LYS QD 1 10 VAL H . . 5.390 4.515 4.444 4.725 . 0 0 "[ . 1 . 2]" 1
190 1 9 LYS QE 1 13 ILE H . . 4.740 4.632 4.406 4.725 . 0 0 "[ . 1 . 2]" 1
191 1 9 LYS QG 1 10 VAL H . . 5.370 4.210 4.112 4.270 . 0 0 "[ . 1 . 2]" 1
192 1 9 LYS QG 1 13 ILE H . . 5.340 4.633 4.309 4.758 . 0 0 "[ . 1 . 2]" 1
193 1 9 LYS QG 1 13 ILE QG . . 3.710 3.385 2.981 3.621 . 0 0 "[ . 1 . 2]" 1
194 1 9 LYS QG 1 53 PHE QE . . 4.500 3.135 2.974 3.380 . 0 0 "[ . 1 . 2]" 1
195 1 9 LYS QG 1 53 PHE HZ . . 6.000 4.486 4.218 4.898 . 0 0 "[ . 1 . 2]" 1
196 1 10 VAL H 1 10 VAL HB . . 3.990 2.546 2.426 2.563 . 0 0 "[ . 1 . 2]" 1
197 1 10 VAL H 1 10 VAL MG2 . . 3.980 2.303 2.279 2.483 . 0 0 "[ . 1 . 2]" 1
198 1 10 VAL H 1 11 ALA H . . 3.720 2.884 2.868 2.981 . 0 0 "[ . 1 . 2]" 1
199 1 10 VAL H 1 11 ALA MB . . 4.700 4.490 4.437 4.535 . 0 0 "[ . 1 . 2]" 1
200 1 10 VAL H 1 12 LYS H . . 5.390 4.185 4.121 4.242 . 0 0 "[ . 1 . 2]" 1
201 1 10 VAL H 1 13 ILE MD . . 6.000 4.131 3.342 4.533 . 0 0 "[ . 1 . 2]" 1
202 1 10 VAL H 1 49 LEU MD2 . . 5.150 4.066 4.021 4.170 . 0 0 "[ . 1 . 2]" 1
203 1 10 VAL H 1 53 PHE QD . . 6.000 6.087 6.057 6.116 0.116 2 0 "[ . 1 . 2]" 1
204 1 10 VAL H 1 53 PHE HZ . . 4.960 3.113 2.949 3.410 . 0 0 "[ . 1 . 2]" 1
205 1 10 VAL HA 1 11 ALA HA . . 5.000 4.791 4.784 4.805 . 0 0 "[ . 1 . 2]" 1
206 1 10 VAL HA 1 13 ILE H . . 4.150 3.888 3.856 3.968 . 0 0 "[ . 1 . 2]" 1
207 1 10 VAL HA 1 13 ILE HB . . 4.450 3.021 2.879 3.273 . 0 0 "[ . 1 . 2]" 1
208 1 10 VAL HA 1 13 ILE MD . . 3.970 3.116 2.273 3.607 . 0 0 "[ . 1 . 2]" 1
209 1 10 VAL HA 1 13 ILE QG . . 5.740 4.029 3.823 4.426 . 0 0 "[ . 1 . 2]" 1
210 1 10 VAL HA 1 14 ILE H . . 4.730 3.799 3.756 4.102 . 0 0 "[ . 1 . 2]" 1
211 1 10 VAL HB 1 11 ALA H . . 3.880 2.519 2.400 2.538 . 0 0 "[ . 1 . 2]" 1
212 1 10 VAL HB 1 49 LEU MD2 . . 4.320 4.120 4.090 4.208 . 0 0 "[ . 1 . 2]" 1
213 1 10 VAL HB 1 53 PHE HZ . . 6.000 4.258 4.156 4.320 . 0 0 "[ . 1 . 2]" 1
214 1 10 VAL MG1 1 11 ALA H . . 5.530 3.234 2.791 3.284 . 0 0 "[ . 1 . 2]" 1
215 1 10 VAL MG1 1 11 ALA HA . . 6.000 3.253 2.978 3.289 . 0 0 "[ . 1 . 2]" 1
216 1 10 VAL MG1 1 12 LYS H . . 5.980 4.848 4.692 4.911 . 0 0 "[ . 1 . 2]" 1
217 1 10 VAL MG1 1 14 ILE H . . 5.960 4.083 4.058 4.220 . 0 0 "[ . 1 . 2]" 1
218 1 10 VAL MG2 1 11 ALA H . . 4.720 3.859 3.847 3.886 . 0 0 "[ . 1 . 2]" 1
219 1 10 VAL MG2 1 13 ILE H . . 5.470 5.416 5.394 5.470 . 0 0 "[ . 1 . 2]" 1
220 1 10 VAL MG2 1 14 ILE H . . 5.610 5.460 5.434 5.606 . 0 0 "[ . 1 . 2]" 1
221 1 10 VAL MG2 1 14 ILE MD . . 3.900 3.772 3.718 3.783 . 0 0 "[ . 1 . 2]" 1
222 1 10 VAL MG2 1 14 ILE HG13 . . 4.510 4.557 4.543 4.627 0.117 8 0 "[ . 1 . 2]" 1
223 1 10 VAL MG2 1 49 LEU HA . . 4.360 4.325 4.273 4.374 0.014 8 0 "[ . 1 . 2]" 1
224 1 10 VAL MG2 1 49 LEU HB3 . . 5.660 3.895 3.800 4.081 . 0 0 "[ . 1 . 2]" 1
225 1 10 VAL MG2 1 49 LEU MD2 . . 3.420 1.812 1.778 1.870 . 0 0 "[ . 1 . 2]" 1
226 1 10 VAL MG2 1 49 LEU HG . . 4.490 4.133 4.101 4.195 . 0 0 "[ . 1 . 2]" 1
227 1 10 VAL MG2 1 53 PHE QD . . 5.560 4.378 4.172 4.559 . 0 0 "[ . 1 . 2]" 1
228 1 10 VAL MG2 1 53 PHE QE . . 5.230 2.647 2.393 2.882 . 0 0 "[ . 1 . 2]" 1
229 1 10 VAL MG2 1 53 PHE HZ . . 5.280 1.878 1.873 1.898 . 0 0 "[ . 1 . 2]" 1
230 1 10 VAL MG2 1 71 ALA MB . . 4.510 2.876 2.716 3.096 . 0 0 "[ . 1 . 2]" 1
231 1 10 VAL MG2 1 72 VAL H . . 5.660 4.420 4.259 4.588 . 0 0 "[ . 1 . 2]" 1
232 1 11 ALA H 1 11 ALA MB . . 3.610 2.160 2.032 2.234 . 0 0 "[ . 1 . 2]" 1
233 1 11 ALA H 1 12 LYS H . . 4.080 2.664 2.634 2.734 . 0 0 "[ . 1 . 2]" 1
234 1 11 ALA H 1 12 LYS HB2 . . 5.750 4.725 4.514 5.022 . 0 0 "[ . 1 . 2]" 1
235 1 11 ALA H 1 12 LYS HB3 . . 6.000 5.326 4.925 5.639 . 0 0 "[ . 1 . 2]" 1
236 1 11 ALA H 1 13 ILE H . . 5.010 4.608 4.583 4.677 . 0 0 "[ . 1 . 2]" 1
237 1 11 ALA H 1 14 ILE H . . 5.490 4.754 4.698 4.777 . 0 0 "[ . 1 . 2]" 1
238 1 11 ALA H 1 14 ILE HB . . 6.000 4.881 4.612 5.014 . 0 0 "[ . 1 . 2]" 1
239 1 11 ALA H 1 68 VAL MG1 . . 6.000 4.842 4.387 5.077 . 0 0 "[ . 1 . 2]" 1
240 1 11 ALA HA 1 14 ILE H . . 4.150 3.911 3.630 3.945 . 0 0 "[ . 1 . 2]" 1
241 1 11 ALA HA 1 25 VAL MG1 . . 3.810 3.337 2.395 3.542 . 0 0 "[ . 1 . 2]" 1
242 1 11 ALA MB 1 12 LYS H . . 3.650 2.674 2.566 2.808 . 0 0 "[ . 1 . 2]" 1
243 1 11 ALA MB 1 12 LYS HB2 . . 4.200 3.960 3.838 4.104 . 0 0 "[ . 1 . 2]" 1
244 1 11 ALA MB 1 14 ILE H . . 6.000 4.844 4.599 4.879 . 0 0 "[ . 1 . 2]" 1
245 1 11 ALA MB 1 15 SER H . . 6.000 4.504 4.404 4.571 . 0 0 "[ . 1 . 2]" 1
246 1 11 ALA MB 1 22 ALA H . . 6.000 5.767 5.534 5.915 . 0 0 "[ . 1 . 2]" 1
247 1 11 ALA MB 1 22 ALA HA . . 4.500 3.467 3.242 3.698 . 0 0 "[ . 1 . 2]" 1
248 1 11 ALA MB 1 25 VAL H . . 5.700 5.334 4.711 5.567 . 0 0 "[ . 1 . 2]" 1
249 1 11 ALA MB 1 25 VAL HB . . 3.980 3.920 3.569 4.136 0.156 8 0 "[ . 1 . 2]" 1
250 1 11 ALA MB 1 25 VAL QG . . 4.280 2.271 1.808 2.505 . 0 0 "[ . 1 . 2]" 1
251 1 12 LYS H 1 12 LYS HB2 . . 3.720 2.276 2.112 2.574 . 0 0 "[ . 1 . 2]" 1
252 1 12 LYS H 1 12 LYS HB3 . . 3.930 2.862 2.514 3.136 . 0 0 "[ . 1 . 2]" 1
253 1 12 LYS H 1 12 LYS QG . . 4.400 3.837 3.612 3.980 . 0 0 "[ . 1 . 2]" 1
254 1 12 LYS H 1 13 ILE H . . 3.700 2.763 2.739 2.903 . 0 0 "[ . 1 . 2]" 1
255 1 12 LYS H 1 13 ILE MD . . 6.000 4.974 4.105 5.347 . 0 0 "[ . 1 . 2]" 1
256 1 12 LYS H 1 14 ILE H . . 4.670 3.867 3.815 3.920 . 0 0 "[ . 1 . 2]" 1
257 1 12 LYS H 1 14 ILE HB . . 6.000 4.889 4.686 5.019 . 0 0 "[ . 1 . 2]" 1
258 1 12 LYS H 1 15 SER H . . 5.320 4.439 4.387 4.568 . 0 0 "[ . 1 . 2]" 1
259 1 12 LYS H 1 22 ALA MB . . 6.000 4.855 4.587 5.097 . 0 0 "[ . 1 . 2]" 1
260 1 12 LYS HA 1 12 LYS QG . . 3.520 2.282 2.124 2.457 . 0 0 "[ . 1 . 2]" 1
261 1 12 LYS HA 1 14 ILE H . . 5.210 4.283 4.139 4.339 . 0 0 "[ . 1 . 2]" 1
262 1 12 LYS HA 1 14 ILE MG . . 6.000 5.964 5.788 6.036 0.036 11 0 "[ . 1 . 2]" 1
263 1 12 LYS HA 1 15 SER H . . 4.230 3.426 3.270 3.597 . 0 0 "[ . 1 . 2]" 1
264 1 12 LYS HB2 1 13 ILE H . . 3.890 3.314 3.014 3.614 . 0 0 "[ . 1 . 2]" 1
265 1 12 LYS HB2 1 14 ILE H . . 5.950 5.362 5.154 5.560 . 0 0 "[ . 1 . 2]" 1
266 1 12 LYS HB3 1 13 ILE H . . 3.780 2.158 2.092 2.291 . 0 0 "[ . 1 . 2]" 1
267 1 12 LYS HB3 1 13 ILE MD . . 5.660 4.333 3.630 4.699 . 0 0 "[ . 1 . 2]" 1
268 1 12 LYS HB3 1 13 ILE MG . . 5.440 5.157 5.095 5.291 . 0 0 "[ . 1 . 2]" 1
269 1 12 LYS HB3 1 14 ILE H . . 5.240 4.665 4.510 4.742 . 0 0 "[ . 1 . 2]" 1
270 1 12 LYS HB3 1 16 ASN H . . 6.000 5.529 5.337 5.789 . 0 0 "[ . 1 . 2]" 1
271 1 12 LYS QE 1 13 ILE H . . 5.780 3.804 3.077 4.517 . 0 0 "[ . 1 . 2]" 1
272 1 12 LYS QE 1 13 ILE HA . . 4.410 3.820 3.330 4.248 . 0 0 "[ . 1 . 2]" 1
273 1 12 LYS QE 1 13 ILE MG . . 5.160 5.004 4.409 5.138 . 0 0 "[ . 1 . 2]" 1
274 1 12 LYS QG 1 13 ILE H . . 4.420 3.854 3.215 4.152 . 0 0 "[ . 1 . 2]" 1
275 1 12 LYS QG 1 14 ILE H . . 5.810 5.402 5.006 5.718 . 0 0 "[ . 1 . 2]" 1
276 1 12 LYS QG 1 15 SER H . . 5.810 5.004 4.816 5.193 . 0 0 "[ . 1 . 2]" 1
277 1 13 ILE H 1 13 ILE HB . . 3.520 2.640 2.608 2.650 . 0 0 "[ . 1 . 2]" 1
278 1 13 ILE H 1 13 ILE MD . . 4.390 3.296 2.656 3.564 . 0 0 "[ . 1 . 2]" 1
279 1 13 ILE H 1 13 ILE HG12 . . 4.250 3.292 3.120 3.629 . 0 0 "[ . 1 . 2]" 1
280 1 13 ILE H 1 13 ILE QG . . 3.640 1.973 1.922 2.100 . 0 0 "[ . 1 . 2]" 1
281 1 13 ILE H 1 13 ILE HG13 . . 4.250 1.989 1.940 2.113 . 0 0 "[ . 1 . 2]" 1
282 1 13 ILE H 1 13 ILE MG . . 4.260 3.765 3.763 3.768 . 0 0 "[ . 1 . 2]" 1
283 1 13 ILE H 1 14 ILE H . . 3.830 2.818 2.711 2.850 . 0 0 "[ . 1 . 2]" 1
284 1 13 ILE H 1 14 ILE HB . . 5.540 4.961 4.781 5.052 . 0 0 "[ . 1 . 2]" 1
285 1 13 ILE H 1 14 ILE HG13 . . 5.180 4.794 4.743 4.820 . 0 0 "[ . 1 . 2]" 1
286 1 13 ILE H 1 15 SER H . . 4.990 4.333 4.200 4.509 . 0 0 "[ . 1 . 2]" 1
287 1 13 ILE HA 1 13 ILE MG . . 3.670 2.348 2.290 2.375 . 0 0 "[ . 1 . 2]" 1
288 1 13 ILE HA 1 16 ASN H . . 4.730 3.675 3.556 3.735 . 0 0 "[ . 1 . 2]" 1
289 1 13 ILE HA 1 16 ASN QB . . 4.780 2.766 2.555 3.113 . 0 0 "[ . 1 . 2]" 1
290 1 13 ILE HB 1 13 ILE MD . . 3.590 2.274 2.047 2.378 . 0 0 "[ . 1 . 2]" 1
291 1 13 ILE HB 1 14 ILE H . . 3.960 2.690 2.644 2.894 . 0 0 "[ . 1 . 2]" 1
292 1 13 ILE HB 1 45 PHE QD . . 6.000 5.461 5.086 5.734 . 0 0 "[ . 1 . 2]" 1
293 1 13 ILE MD 1 13 ILE MG . . 3.010 2.217 1.953 2.701 . 0 0 "[ . 1 . 2]" 1
294 1 13 ILE MD 1 14 ILE H . . 5.350 4.435 3.915 4.705 . 0 0 "[ . 1 . 2]" 1
295 1 13 ILE MD 1 48 GLU HG2 . . 5.550 5.050 4.714 5.552 0.002 14 0 "[ . 1 . 2]" 1
296 1 13 ILE MD 1 52 GLU QG . . 5.840 3.828 3.129 4.338 . 0 0 "[ . 1 . 2]" 1
297 1 13 ILE MD 1 53 PHE QE . . 5.030 4.507 4.159 4.701 . 0 0 "[ . 1 . 2]" 1
298 1 13 ILE QG 1 14 ILE H . . 5.070 4.025 3.956 4.152 . 0 0 "[ . 1 . 2]" 1
299 1 13 ILE MG 1 14 ILE H . . 4.120 3.549 3.508 3.718 . 0 0 "[ . 1 . 2]" 1
300 1 13 ILE MG 1 14 ILE MD . . 5.060 4.886 4.712 5.074 0.014 8 0 "[ . 1 . 2]" 1
301 1 13 ILE MG 1 16 ASN H . . 4.820 4.684 4.614 4.780 . 0 0 "[ . 1 . 2]" 1
302 1 13 ILE MG 1 17 HIS HA . . 5.370 5.038 4.722 5.153 . 0 0 "[ . 1 . 2]" 1
303 1 13 ILE MG 1 17 HIS HE1 . . 6.000 5.808 5.326 6.004 0.004 1 0 "[ . 1 . 2]" 1
304 1 13 ILE MG 1 18 PHE QE . . 5.230 4.759 4.478 5.159 . 0 0 "[ . 1 . 2]" 1
305 1 13 ILE MG 1 45 PHE HE1 . . 4.300 3.706 3.276 3.977 . 0 0 "[ . 1 . 2]" 1
306 1 13 ILE MG 1 48 GLU HB2 . . 4.520 4.130 4.081 4.197 . 0 0 "[ . 1 . 2]" 1
307 1 13 ILE MG 1 48 GLU HB3 . . 4.660 4.674 4.660 4.690 0.030 10 0 "[ . 1 . 2]" 1
308 1 13 ILE MG 1 48 GLU HG2 . . 4.810 4.682 4.565 4.811 0.001 14 0 "[ . 1 . 2]" 1
309 1 14 ILE H 1 14 ILE HB . . 3.500 2.370 2.300 2.410 . 0 0 "[ . 1 . 2]" 1
310 1 14 ILE H 1 14 ILE MD . . 4.990 3.735 3.698 3.763 . 0 0 "[ . 1 . 2]" 1
311 1 14 ILE H 1 14 ILE HG12 . . 4.140 3.724 3.693 3.923 . 0 0 "[ . 1 . 2]" 1
312 1 14 ILE H 1 14 ILE HG13 . . 3.900 2.517 2.459 2.702 . 0 0 "[ . 1 . 2]" 1
313 1 14 ILE H 1 14 ILE MG . . 3.950 3.724 3.682 3.744 . 0 0 "[ . 1 . 2]" 1
314 1 14 ILE H 1 15 SER H . . 3.780 2.546 2.453 2.639 . 0 0 "[ . 1 . 2]" 1
315 1 14 ILE H 1 15 SER HA . . 5.540 5.177 5.101 5.240 . 0 0 "[ . 1 . 2]" 1
316 1 14 ILE HA 1 14 ILE MD . . 3.810 3.783 3.771 3.804 . 0 0 "[ . 1 . 2]" 1
317 1 14 ILE HA 1 17 HIS H . . 4.920 3.403 3.315 3.508 . 0 0 "[ . 1 . 2]" 1
318 1 14 ILE HA 1 17 HIS QB . . 4.780 2.768 2.602 2.903 . 0 0 "[ . 1 . 2]" 1
319 1 14 ILE HA 1 18 PHE H . . 4.360 3.362 3.244 3.699 . 0 0 "[ . 1 . 2]" 1
320 1 14 ILE HA 1 18 PHE QD . . 3.830 2.311 2.098 2.817 . 0 0 "[ . 1 . 2]" 1
321 1 14 ILE HA 1 18 PHE QE . . 3.840 3.167 3.022 3.281 . 0 0 "[ . 1 . 2]" 1
322 1 14 ILE HA 1 18 PHE HZ . . 5.640 5.557 5.434 5.655 0.015 19 0 "[ . 1 . 2]" 1
323 1 14 ILE HA 1 45 PHE HE1 . . 5.350 5.013 4.550 5.329 . 0 0 "[ . 1 . 2]" 1
324 1 14 ILE HB 1 15 SER H . . 3.680 2.603 2.444 2.746 . 0 0 "[ . 1 . 2]" 1
325 1 14 ILE HB 1 18 PHE QD . . 6.000 4.377 4.317 4.521 . 0 0 "[ . 1 . 2]" 1
326 1 14 ILE MD 1 15 SER H . . 5.970 4.596 4.469 4.718 . 0 0 "[ . 1 . 2]" 1
327 1 14 ILE MD 1 18 PHE QD . . 4.690 4.351 4.225 4.514 . 0 0 "[ . 1 . 2]" 1
328 1 14 ILE MD 1 18 PHE QE . . 4.040 4.049 3.973 4.078 0.038 8 0 "[ . 1 . 2]" 1
329 1 14 ILE MD 1 18 PHE HZ . . 5.810 5.598 5.316 5.819 0.009 8 0 "[ . 1 . 2]" 1
330 1 14 ILE MD 1 25 VAL MG1 . . 4.550 3.767 3.622 3.929 . 0 0 "[ . 1 . 2]" 1
331 1 14 ILE MD 1 45 PHE QD . . 5.420 5.419 5.191 5.501 0.081 8 0 "[ . 1 . 2]" 1
332 1 14 ILE MD 1 68 VAL H . . 5.190 4.498 4.316 4.626 . 0 0 "[ . 1 . 2]" 1
333 1 14 ILE MD 1 68 VAL HA . . 4.590 3.600 3.454 3.764 . 0 0 "[ . 1 . 2]" 1
334 1 14 ILE MD 1 68 VAL MG1 . . 4.570 4.038 3.723 4.259 . 0 0 "[ . 1 . 2]" 1
335 1 14 ILE MD 1 68 VAL MG2 . . 3.680 3.087 2.647 3.318 . 0 0 "[ . 1 . 2]" 1
336 1 14 ILE HG12 1 15 SER H . . 5.190 5.003 4.925 5.058 . 0 0 "[ . 1 . 2]" 1
337 1 14 ILE HG13 1 15 SER H . . 4.940 4.421 4.379 4.546 . 0 0 "[ . 1 . 2]" 1
338 1 14 ILE HG13 1 45 PHE QD . . 5.740 5.474 5.180 5.660 . 0 0 "[ . 1 . 2]" 1
339 1 14 ILE MG 1 15 SER H . . 3.900 3.140 2.893 3.420 . 0 0 "[ . 1 . 2]" 1
340 1 14 ILE MG 1 15 SER HA . . 5.300 3.168 3.005 3.458 . 0 0 "[ . 1 . 2]" 1
341 1 14 ILE MG 1 17 HIS QB . . 5.190 4.117 3.891 4.243 . 0 0 "[ . 1 . 2]" 1
342 1 14 ILE MG 1 18 PHE H . . 4.430 3.652 3.370 3.874 . 0 0 "[ . 1 . 2]" 1
343 1 14 ILE MG 1 18 PHE HB2 . . 5.670 2.859 2.571 3.385 . 0 0 "[ . 1 . 2]" 1
344 1 14 ILE MG 1 18 PHE QB . . 4.970 2.808 2.537 3.307 . 0 0 "[ . 1 . 2]" 1
345 1 14 ILE MG 1 18 PHE HB3 . . 5.670 4.117 3.882 4.648 . 0 0 "[ . 1 . 2]" 1
346 1 14 ILE MG 1 18 PHE QD . . 3.670 1.989 1.945 2.153 . 0 0 "[ . 1 . 2]" 1
347 1 14 ILE MG 1 18 PHE QE . . 4.350 3.176 2.736 3.504 . 0 0 "[ . 1 . 2]" 1
348 1 14 ILE MG 1 18 PHE HZ . . 5.380 4.897 4.669 5.300 . 0 0 "[ . 1 . 2]" 1
349 1 14 ILE MG 1 19 ASP H . . 6.000 5.491 5.278 5.837 . 0 0 "[ . 1 . 2]" 1
350 1 14 ILE MG 1 25 VAL MG1 . . 4.350 2.664 2.501 3.220 . 0 0 "[ . 1 . 2]" 1
351 1 14 ILE MG 1 31 ILE MG . . 3.700 2.392 1.897 2.824 . 0 0 "[ . 1 . 2]" 1
352 1 15 SER H 1 15 SER HB2 . . 3.850 2.974 2.500 3.598 . 0 0 "[ . 1 . 2]" 1
353 1 15 SER H 1 15 SER QB . . 3.240 2.316 2.198 2.512 . 0 0 "[ . 1 . 2]" 1
354 1 15 SER H 1 15 SER HB3 . . 3.850 2.462 2.221 2.578 . 0 0 "[ . 1 . 2]" 1
355 1 15 SER H 1 18 PHE QD . . 5.900 4.901 4.826 4.973 . 0 0 "[ . 1 . 2]" 1
356 1 15 SER H 1 20 ILE MG . . 4.700 3.702 3.593 3.837 . 0 0 "[ . 1 . 2]" 1
357 1 15 SER H 1 22 ALA H . . 5.910 5.907 5.462 5.941 0.031 13 0 "[ . 1 . 2]" 1
358 1 15 SER H 1 22 ALA MB . . 5.320 4.261 3.918 4.375 . 0 0 "[ . 1 . 2]" 1
359 1 15 SER H 1 25 VAL MG1 . . 5.590 4.037 3.910 4.241 . 0 0 "[ . 1 . 2]" 1
360 1 15 SER HA 1 18 PHE H . . 4.670 4.106 4.015 4.162 . 0 0 "[ . 1 . 2]" 1
361 1 15 SER HA 1 20 ILE MD . . 5.490 4.894 4.696 5.020 . 0 0 "[ . 1 . 2]" 1
362 1 15 SER HA 1 20 ILE HG12 . . 6.000 4.871 4.733 4.976 . 0 0 "[ . 1 . 2]" 1
363 1 15 SER HA 1 20 ILE HG13 . . 6.000 5.924 5.788 6.015 0.015 12 0 "[ . 1 . 2]" 1
364 1 15 SER HA 1 20 ILE MG . . 4.290 2.029 1.883 2.184 . 0 0 "[ . 1 . 2]" 1
365 1 15 SER HA 1 22 ALA H . . 5.100 4.476 4.205 4.650 . 0 0 "[ . 1 . 2]" 1
366 1 15 SER QB 1 22 ALA H . . 3.850 2.994 2.200 3.344 . 0 0 "[ . 1 . 2]" 1
367 1 15 SER QB 1 22 ALA MB . . 4.190 2.216 2.069 2.374 . 0 0 "[ . 1 . 2]" 1
368 1 15 SER QB 1 25 VAL MG1 . . 4.410 3.165 2.876 3.459 . 0 0 "[ . 1 . 2]" 1
369 1 15 SER HB2 1 20 ILE MG . . 5.740 3.239 2.847 3.719 . 0 0 "[ . 1 . 2]" 1
370 1 15 SER HB2 1 22 ALA H . . 4.480 3.101 2.232 3.498 . 0 0 "[ . 1 . 2]" 1
371 1 15 SER HB2 1 22 ALA MB . . 4.820 2.430 2.287 2.610 . 0 0 "[ . 1 . 2]" 1
372 1 15 SER HB3 1 20 ILE MG . . 5.740 3.895 2.958 4.463 . 0 0 "[ . 1 . 2]" 1
373 1 15 SER HB3 1 22 ALA H . . 4.480 3.968 3.339 4.327 . 0 0 "[ . 1 . 2]" 1
374 1 15 SER HB3 1 22 ALA MB . . 4.820 2.572 2.226 2.806 . 0 0 "[ . 1 . 2]" 1
375 1 16 ASN H 1 16 ASN QB . . 3.700 2.265 2.167 2.486 . 0 0 "[ . 1 . 2]" 1
376 1 16 ASN H 1 16 ASN HD21 . . 4.630 3.152 2.359 4.114 . 0 0 "[ . 1 . 2]" 1
377 1 16 ASN H 1 16 ASN QD . . 3.900 3.054 2.344 3.846 . 0 0 "[ . 1 . 2]" 1
378 1 16 ASN H 1 16 ASN HD22 . . 4.630 4.447 4.051 4.647 0.017 17 0 "[ . 1 . 2]" 1
379 1 16 ASN H 1 17 HIS H . . 3.550 2.297 2.248 2.379 . 0 0 "[ . 1 . 2]" 1
380 1 16 ASN QB 1 17 HIS H . . 4.330 2.638 2.488 3.012 . 0 0 "[ . 1 . 2]" 1
381 1 16 ASN QD 1 17 HIS H . . 5.070 4.218 2.333 4.865 . 0 0 "[ . 1 . 2]" 1
382 1 17 HIS H 1 17 HIS QB . . 3.870 2.260 2.253 2.262 . 0 0 "[ . 1 . 2]" 1
383 1 17 HIS H 1 17 HIS HD2 . . 5.250 5.050 5.018 5.106 . 0 0 "[ . 1 . 2]" 1
384 1 17 HIS H 1 18 PHE H . . 3.520 2.653 2.651 2.656 . 0 0 "[ . 1 . 2]" 1
385 1 17 HIS H 1 18 PHE HA . . 5.550 5.260 5.255 5.264 . 0 0 "[ . 1 . 2]" 1
386 1 17 HIS H 1 18 PHE QD . . 4.560 4.155 3.908 4.410 . 0 0 "[ . 1 . 2]" 1
387 1 17 HIS H 1 18 PHE QE . . 5.960 5.506 5.313 5.671 . 0 0 "[ . 1 . 2]" 1
388 1 17 HIS HA 1 17 HIS HD2 . . 4.570 3.694 3.513 3.809 . 0 0 "[ . 1 . 2]" 1
389 1 17 HIS QB 1 17 HIS HE1 . . 4.720 4.380 4.372 4.389 . 0 0 "[ . 1 . 2]" 1
390 1 17 HIS QB 1 18 PHE H . . 3.980 2.429 2.405 2.440 . 0 0 "[ . 1 . 2]" 1
391 1 17 HIS QB 1 18 PHE HA . . 6.000 4.245 4.201 4.266 . 0 0 "[ . 1 . 2]" 1
392 1 17 HIS QB 1 18 PHE QD . . 3.990 2.774 2.427 3.115 . 0 0 "[ . 1 . 2]" 1
393 1 17 HIS QB 1 18 PHE QE . . 4.400 3.344 3.074 3.511 . 0 0 "[ . 1 . 2]" 1
394 1 17 HIS HD2 1 18 PHE QE . . 6.000 3.739 3.354 3.917 . 0 0 "[ . 1 . 2]" 1
395 1 17 HIS HD2 1 45 PHE HE1 . . 5.330 4.412 4.198 4.589 . 0 0 "[ . 1 . 2]" 1
396 1 17 HIS HD2 1 45 PHE HE2 . . 6.000 5.413 5.232 5.493 . 0 0 "[ . 1 . 2]" 1
397 1 17 HIS HE1 1 18 PHE HZ . . 6.000 5.998 5.966 6.014 0.014 12 0 "[ . 1 . 2]" 1
398 1 18 PHE H 1 18 PHE QB . . 3.660 2.468 2.437 2.542 . 0 0 "[ . 1 . 2]" 1
399 1 18 PHE H 1 18 PHE QD . . 3.940 2.459 2.229 2.684 . 0 0 "[ . 1 . 2]" 1
400 1 18 PHE H 1 18 PHE QE . . 5.290 4.424 4.318 4.521 . 0 0 "[ . 1 . 2]" 1
401 1 18 PHE H 1 19 ASP H . . 4.630 4.472 4.436 4.522 . 0 0 "[ . 1 . 2]" 1
402 1 18 PHE H 1 19 ASP HA . . 5.430 5.249 5.222 5.298 . 0 0 "[ . 1 . 2]" 1
403 1 18 PHE H 1 20 ILE MG . . 4.640 3.894 3.793 3.951 . 0 0 "[ . 1 . 2]" 1
404 1 18 PHE H 1 31 ILE MG . . 5.940 5.060 4.927 5.235 . 0 0 "[ . 1 . 2]" 1
405 1 18 PHE H 1 35 LEU HG . . 5.620 5.147 4.941 5.286 . 0 0 "[ . 1 . 2]" 1
406 1 18 PHE HA 1 18 PHE QD . . 4.020 2.898 2.743 3.063 . 0 0 "[ . 1 . 2]" 1
407 1 18 PHE HA 1 18 PHE QE . . 5.060 4.659 4.612 4.718 . 0 0 "[ . 1 . 2]" 1
408 1 18 PHE HA 1 19 ASP H . . 3.510 2.616 2.529 2.671 . 0 0 "[ . 1 . 2]" 1
409 1 18 PHE HA 1 19 ASP QB . . 5.190 4.495 4.071 4.827 . 0 0 "[ . 1 . 2]" 1
410 1 18 PHE HA 1 35 LEU MD2 . . 5.770 5.369 4.906 5.773 0.003 8 0 "[ . 1 . 2]" 1
411 1 18 PHE QB 1 19 ASP H . . 3.340 2.019 1.946 2.149 . 0 0 "[ . 1 . 2]" 1
412 1 18 PHE QB 1 19 ASP HA . . 4.830 4.190 4.166 4.247 . 0 0 "[ . 1 . 2]" 1
413 1 18 PHE QB 1 20 ILE H . . 4.140 2.443 2.396 2.470 . 0 0 "[ . 1 . 2]" 1
414 1 18 PHE QB 1 20 ILE MG . . 4.210 2.488 2.333 2.580 . 0 0 "[ . 1 . 2]" 1
415 1 18 PHE QB 1 31 ILE HG12 . . 5.600 4.475 4.246 5.077 . 0 0 "[ . 1 . 2]" 1
416 1 18 PHE QB 1 35 LEU HB2 . . 5.180 4.051 3.901 4.152 . 0 0 "[ . 1 . 2]" 1
417 1 18 PHE QB 1 35 LEU MD2 . . 4.460 3.099 2.802 3.359 . 0 0 "[ . 1 . 2]" 1
418 1 18 PHE HB2 1 19 ASP H . . 4.050 3.176 2.974 3.372 . 0 0 "[ . 1 . 2]" 1
419 1 18 PHE HB2 1 20 ILE MG . . 5.060 2.534 2.378 2.629 . 0 0 "[ . 1 . 2]" 1
420 1 18 PHE HB2 1 35 LEU HG . . 5.090 2.866 2.525 3.083 . 0 0 "[ . 1 . 2]" 1
421 1 18 PHE HB3 1 19 ASP H . . 4.050 2.042 1.967 2.175 . 0 0 "[ . 1 . 2]" 1
422 1 18 PHE HB3 1 20 ILE MG . . 5.060 3.640 3.371 3.880 . 0 0 "[ . 1 . 2]" 1
423 1 18 PHE HB3 1 35 LEU HG . . 5.090 2.008 1.975 2.324 . 0 0 "[ . 1 . 2]" 1
424 1 18 PHE QD 1 19 ASP H . . 4.270 3.690 3.606 3.858 . 0 0 "[ . 1 . 2]" 1
425 1 18 PHE QD 1 20 ILE H . . 5.660 4.546 4.443 4.576 . 0 0 "[ . 1 . 2]" 1
426 1 18 PHE QD 1 20 ILE MG . . 4.710 3.669 3.300 3.827 . 0 0 "[ . 1 . 2]" 1
427 1 18 PHE QD 1 31 ILE MG . . 5.230 2.969 2.684 3.116 . 0 0 "[ . 1 . 2]" 1
428 1 18 PHE QD 1 35 LEU HB2 . . 5.660 3.618 3.175 4.288 . 0 0 "[ . 1 . 2]" 1
429 1 18 PHE QD 1 35 LEU MD2 . . 5.450 3.988 3.828 4.157 . 0 0 "[ . 1 . 2]" 1
430 1 18 PHE QD 1 35 LEU HG . . 4.270 2.691 2.344 3.153 . 0 0 "[ . 1 . 2]" 1
431 1 18 PHE QD 1 37 ALA HA . . 5.520 4.445 4.174 4.604 . 0 0 "[ . 1 . 2]" 1
432 1 18 PHE QE 1 20 ILE MG . . 6.000 5.302 5.004 5.391 . 0 0 "[ . 1 . 2]" 1
433 1 18 PHE QE 1 31 ILE HA . . 6.000 6.024 5.806 6.064 0.064 11 0 "[ . 1 . 2]" 1
434 1 18 PHE QE 1 35 LEU HG . . 4.430 4.168 3.961 4.432 0.002 1 0 "[ . 1 . 2]" 1
435 1 18 PHE QE 1 37 ALA HA . . 3.960 2.789 2.505 2.910 . 0 0 "[ . 1 . 2]" 1
436 1 18 PHE QE 1 37 ALA MB . . 4.160 1.978 1.909 2.318 . 0 0 "[ . 1 . 2]" 1
437 1 18 PHE QE 1 38 ASP H . . 4.840 4.271 3.955 4.505 . 0 0 "[ . 1 . 2]" 1
438 1 18 PHE QE 1 45 PHE HB3 . . 5.250 5.102 4.951 5.264 0.014 1 0 "[ . 1 . 2]" 1
439 1 18 PHE QE 1 45 PHE HE1 . . 5.120 3.761 3.272 4.326 . 0 0 "[ . 1 . 2]" 1
440 1 18 PHE HZ 1 31 ILE HB . . 6.000 5.256 4.948 5.433 . 0 0 "[ . 1 . 2]" 1
441 1 18 PHE HZ 1 31 ILE MG . . 4.500 3.299 3.096 3.399 . 0 0 "[ . 1 . 2]" 1
442 1 18 PHE HZ 1 35 LEU HG . . 5.650 5.443 5.285 5.654 0.004 10 0 "[ . 1 . 2]" 1
443 1 18 PHE HZ 1 37 ALA HA . . 4.650 4.560 4.248 4.664 0.014 13 0 "[ . 1 . 2]" 1
444 1 18 PHE HZ 1 37 ALA MB . . 4.440 2.447 2.290 2.529 . 0 0 "[ . 1 . 2]" 1
445 1 18 PHE HZ 1 38 ASP H . . 5.710 5.442 5.267 5.616 . 0 0 "[ . 1 . 2]" 1
446 1 18 PHE HZ 1 45 PHE HB2 . . 5.640 5.648 5.603 5.665 0.025 17 0 "[ . 1 . 2]" 1
447 1 18 PHE HZ 1 45 PHE HB3 . . 5.650 5.636 5.557 5.668 0.018 1 0 "[ . 1 . 2]" 1
448 1 18 PHE HZ 1 45 PHE HE1 . . 4.760 4.388 4.086 4.545 . 0 0 "[ . 1 . 2]" 1
449 1 18 PHE HZ 1 45 PHE HZ . . 3.970 2.823 2.635 2.930 . 0 0 "[ . 1 . 2]" 1
450 1 19 ASP H 1 19 ASP HB2 . . 4.070 2.552 2.266 2.787 . 0 0 "[ . 1 . 2]" 1
451 1 19 ASP H 1 19 ASP QB . . 3.450 2.484 2.222 2.710 . 0 0 "[ . 1 . 2]" 1
452 1 19 ASP H 1 19 ASP HB3 . . 4.070 3.454 2.839 3.709 . 0 0 "[ . 1 . 2]" 1
453 1 19 ASP H 1 20 ILE H . . 4.480 2.603 2.549 2.659 . 0 0 "[ . 1 . 2]" 1
454 1 19 ASP H 1 20 ILE MD . . 6.000 5.871 5.833 5.973 . 0 0 "[ . 1 . 2]" 1
455 1 19 ASP H 1 20 ILE MG . . 4.810 4.266 4.211 4.304 . 0 0 "[ . 1 . 2]" 1
456 1 19 ASP H 1 35 LEU HB2 . . 6.000 5.755 5.531 6.011 0.011 8 0 "[ . 1 . 2]" 1
457 1 19 ASP H 1 35 LEU MD2 . . 5.300 4.093 3.371 4.813 . 0 0 "[ . 1 . 2]" 1
458 1 19 ASP H 1 35 LEU HG . . 5.260 3.643 3.417 4.107 . 0 0 "[ . 1 . 2]" 1
459 1 19 ASP HA 1 20 ILE H . . 3.460 3.044 3.011 3.097 . 0 0 "[ . 1 . 2]" 1
460 1 19 ASP QB 1 20 ILE H . . 4.390 3.694 3.623 3.743 . 0 0 "[ . 1 . 2]" 1
461 1 19 ASP HB2 1 20 ILE H . . 5.050 4.062 3.865 4.399 . 0 0 "[ . 1 . 2]" 1
462 1 19 ASP HB3 1 20 ILE H . . 5.050 4.322 3.970 4.555 . 0 0 "[ . 1 . 2]" 1
463 1 20 ILE H 1 20 ILE HG13 . . 5.140 4.411 4.400 4.437 . 0 0 "[ . 1 . 2]" 1
464 1 20 ILE H 1 20 ILE MG . . 3.770 2.184 2.158 2.276 . 0 0 "[ . 1 . 2]" 1
465 1 20 ILE H 1 21 GLU H . . 4.710 4.603 4.601 4.605 . 0 0 "[ . 1 . 2]" 1
466 1 20 ILE HA 1 20 ILE MD . . 4.330 3.697 3.688 3.720 . 0 0 "[ . 1 . 2]" 1
467 1 20 ILE HA 1 20 ILE HG13 . . 3.860 2.296 2.289 2.328 . 0 0 "[ . 1 . 2]" 1
468 1 20 ILE HA 1 21 GLU H . . 3.100 2.368 2.351 2.375 . 0 0 "[ . 1 . 2]" 1
469 1 20 ILE HA 1 35 LEU MD2 . . 4.110 3.628 3.118 4.079 . 0 0 "[ . 1 . 2]" 1
470 1 20 ILE HB 1 21 GLU H . . 4.030 3.920 3.918 3.925 . 0 0 "[ . 1 . 2]" 1
471 1 20 ILE HB 1 25 VAL HA . . 5.940 5.771 5.567 5.955 0.015 1 0 "[ . 1 . 2]" 1
472 1 20 ILE HB 1 35 LEU MD2 . . 3.670 1.983 1.905 2.203 . 0 0 "[ . 1 . 2]" 1
473 1 20 ILE MD 1 21 GLU H . . 4.860 3.617 3.609 3.632 . 0 0 "[ . 1 . 2]" 1
474 1 20 ILE MD 1 22 ALA H . . 6.000 6.078 6.050 6.101 0.101 8 0 "[ . 1 . 2]" 1
475 1 20 ILE MD 1 22 ALA HA . . 5.550 5.249 5.176 5.332 . 0 0 "[ . 1 . 2]" 1
476 1 20 ILE MD 1 24 GLN H . . 5.510 5.192 4.877 5.342 . 0 0 "[ . 1 . 2]" 1
477 1 20 ILE MD 1 24 GLN QB . . 4.170 3.748 3.282 4.200 0.030 13 0 "[ . 1 . 2]" 1
478 1 20 ILE MD 1 25 VAL H . . 5.320 3.569 3.279 3.780 . 0 0 "[ . 1 . 2]" 1
479 1 20 ILE MD 1 25 VAL HA . . 4.390 2.137 1.971 2.390 . 0 0 "[ . 1 . 2]" 1
480 1 20 ILE MD 1 25 VAL HB . . 4.740 3.542 2.544 3.751 . 0 0 "[ . 1 . 2]" 1
481 1 20 ILE MD 1 26 THR H . . 4.980 3.672 3.580 3.839 . 0 0 "[ . 1 . 2]" 1
482 1 20 ILE MD 1 31 ILE HA . . 6.000 3.534 3.252 3.863 . 0 0 "[ . 1 . 2]" 1
483 1 20 ILE MD 1 31 ILE HG13 . . 3.460 2.599 2.462 3.485 0.025 8 0 "[ . 1 . 2]" 1
484 1 20 ILE HG12 1 21 GLU H . . 4.260 1.981 1.952 2.027 . 0 0 "[ . 1 . 2]" 1
485 1 20 ILE HG12 1 22 ALA HA . . 5.010 4.906 4.821 4.964 . 0 0 "[ . 1 . 2]" 1
486 1 20 ILE HG12 1 24 GLN QB . . 4.500 3.230 2.808 4.198 . 0 0 "[ . 1 . 2]" 1
487 1 20 ILE HG13 1 21 GLU H . . 3.800 2.440 2.407 2.489 . 0 0 "[ . 1 . 2]" 1
488 1 20 ILE HG13 1 35 LEU MD2 . . 4.240 3.214 3.073 3.346 . 0 0 "[ . 1 . 2]" 1
489 1 20 ILE HG13 1 35 LEU HG . . 5.840 5.489 5.221 5.688 . 0 0 "[ . 1 . 2]" 1
490 1 20 ILE MG 1 21 GLU H . . 4.220 3.202 3.157 3.379 . 0 0 "[ . 1 . 2]" 1
491 1 20 ILE MG 1 21 GLU HA . . 5.030 3.889 3.838 4.101 . 0 0 "[ . 1 . 2]" 1
492 1 20 ILE MG 1 22 ALA H . . 5.460 4.163 4.100 4.438 . 0 0 "[ . 1 . 2]" 1
493 1 20 ILE MG 1 22 ALA HA . . 5.500 3.712 3.649 3.940 . 0 0 "[ . 1 . 2]" 1
494 1 20 ILE MG 1 22 ALA MB . . 5.110 4.437 4.361 4.638 . 0 0 "[ . 1 . 2]" 1
495 1 20 ILE MG 1 31 ILE MG . . 3.730 3.624 3.386 3.746 0.016 17 0 "[ . 1 . 2]" 1
496 1 21 GLU H 1 21 GLU QG . . 4.350 3.570 3.255 4.115 . 0 0 "[ . 1 . 2]" 1
497 1 21 GLU H 1 22 ALA H . . 4.710 4.484 4.470 4.541 . 0 0 "[ . 1 . 2]" 1
498 1 21 GLU H 1 23 ASP H . . 5.210 4.999 4.808 5.042 . 0 0 "[ . 1 . 2]" 1
499 1 21 GLU H 1 24 GLN H . . 5.100 4.115 4.017 4.200 . 0 0 "[ . 1 . 2]" 1
500 1 21 GLU H 1 24 GLN HB2 . . 4.610 2.901 2.602 4.612 0.002 13 0 "[ . 1 . 2]" 1
501 1 21 GLU H 1 24 GLN QB . . 4.060 2.825 2.567 3.782 . 0 0 "[ . 1 . 2]" 1
502 1 21 GLU H 1 24 GLN HB3 . . 4.610 4.259 3.936 4.421 . 0 0 "[ . 1 . 2]" 1
503 1 21 GLU H 1 24 GLN QG . . 5.220 3.827 2.001 4.274 . 0 0 "[ . 1 . 2]" 1
504 1 21 GLU H 1 35 LEU MD2 . . 6.000 4.988 4.744 5.116 . 0 0 "[ . 1 . 2]" 1
505 1 21 GLU HA 1 21 GLU QG . . 3.900 2.360 2.086 2.619 . 0 0 "[ . 1 . 2]" 1
506 1 21 GLU HA 1 22 ALA H . . 3.030 2.151 2.143 2.200 . 0 0 "[ . 1 . 2]" 1
507 1 21 GLU HA 1 22 ALA MB . . 4.980 3.933 3.919 4.006 . 0 0 "[ . 1 . 2]" 1
508 1 21 GLU HA 1 23 ASP H . . 5.390 3.618 3.586 3.680 . 0 0 "[ . 1 . 2]" 1
509 1 21 GLU QB 1 22 ALA H . . 4.670 3.432 3.354 3.680 . 0 0 "[ . 1 . 2]" 1
510 1 21 GLU QB 1 23 ASP H . . 4.630 2.525 2.397 2.946 . 0 0 "[ . 1 . 2]" 1
511 1 21 GLU QB 1 24 GLN H . . 5.050 1.930 1.919 1.962 . 0 0 "[ . 1 . 2]" 1
512 1 21 GLU QG 1 22 ALA H . . 4.400 3.593 2.621 4.307 . 0 0 "[ . 1 . 2]" 1
513 1 21 GLU QG 1 22 ALA MB . . 5.750 4.762 3.704 5.429 . 0 0 "[ . 1 . 2]" 1
514 1 22 ALA H 1 22 ALA MB . . 3.650 2.048 2.024 2.149 . 0 0 "[ . 1 . 2]" 1
515 1 22 ALA H 1 23 ASP H . . 3.780 2.688 2.614 2.732 . 0 0 "[ . 1 . 2]" 1
516 1 22 ALA H 1 24 GLN H . . 5.060 4.138 4.100 4.234 . 0 0 "[ . 1 . 2]" 1
517 1 22 ALA H 1 25 VAL MG1 . . 5.420 4.348 4.227 4.496 . 0 0 "[ . 1 . 2]" 1
518 1 22 ALA HA 1 24 GLN H . . 5.180 4.362 4.301 4.396 . 0 0 "[ . 1 . 2]" 1
519 1 22 ALA HA 1 25 VAL H . . 3.970 3.753 3.696 3.773 . 0 0 "[ . 1 . 2]" 1
520 1 22 ALA HA 1 25 VAL HB . . 5.100 4.608 3.752 4.690 . 0 0 "[ . 1 . 2]" 1
521 1 22 ALA HA 1 25 VAL MG1 . . 3.450 2.824 2.250 2.980 . 0 0 "[ . 1 . 2]" 1
522 1 22 ALA MB 1 23 ASP H . . 4.220 3.050 2.991 3.144 . 0 0 "[ . 1 . 2]" 1
523 1 22 ALA MB 1 23 ASP HA . . 4.440 3.912 3.879 4.007 . 0 0 "[ . 1 . 2]" 1
524 1 22 ALA MB 1 24 GLN H . . 5.040 4.642 4.572 4.764 . 0 0 "[ . 1 . 2]" 1
525 1 22 ALA MB 1 25 VAL H . . 5.050 4.890 4.875 4.901 . 0 0 "[ . 1 . 2]" 1
526 1 22 ALA MB 1 25 VAL HB . . 6.000 5.747 5.180 5.811 . 0 0 "[ . 1 . 2]" 1
527 1 22 ALA MB 1 25 VAL QG . . 5.560 3.178 3.080 3.335 . 0 0 "[ . 1 . 2]" 1
528 1 23 ASP H 1 24 GLN H . . 3.590 2.174 2.167 2.196 . 0 0 "[ . 1 . 2]" 1
529 1 23 ASP H 1 24 GLN QG . . 4.110 3.874 3.687 4.084 . 0 0 "[ . 1 . 2]" 1
530 1 23 ASP H 1 25 VAL H . . 5.400 3.711 3.636 3.798 . 0 0 "[ . 1 . 2]" 1
531 1 23 ASP H 1 25 VAL MG1 . . 5.560 4.572 3.726 4.722 . 0 0 "[ . 1 . 2]" 1
532 1 23 ASP HA 1 25 VAL H . . 4.870 4.309 4.290 4.345 . 0 0 "[ . 1 . 2]" 1
533 1 23 ASP QB 1 24 GLN H . . 4.390 2.888 2.795 2.968 . 0 0 "[ . 1 . 2]" 1
534 1 24 GLN H 1 24 GLN HB2 . . 3.790 2.470 2.323 3.617 . 0 0 "[ . 1 . 2]" 1
535 1 24 GLN H 1 24 GLN QB . . 3.330 2.381 2.295 2.476 . 0 0 "[ . 1 . 2]" 1
536 1 24 GLN H 1 24 GLN HB3 . . 3.790 3.547 2.522 3.611 . 0 0 "[ . 1 . 2]" 1
537 1 24 GLN H 1 24 GLN QG . . 3.630 2.439 2.261 2.627 . 0 0 "[ . 1 . 2]" 1
538 1 24 GLN H 1 25 VAL H . . 3.720 2.390 2.365 2.401 . 0 0 "[ . 1 . 2]" 1
539 1 24 GLN H 1 25 VAL HA . . 6.000 4.977 4.955 5.021 . 0 0 "[ . 1 . 2]" 1
540 1 24 GLN H 1 25 VAL MG1 . . 4.380 4.039 3.427 4.167 . 0 0 "[ . 1 . 2]" 1
541 1 24 GLN HA 1 24 GLN QG . . 3.930 2.743 2.360 3.327 . 0 0 "[ . 1 . 2]" 1
542 1 24 GLN HA 1 25 VAL HB . . 6.000 6.486 5.942 6.530 0.530 2 18 "[*+-**** **** *******]" 1
543 1 24 GLN QB 1 24 GLN QG . . 2.310 2.030 1.995 2.086 . 0 0 "[ . 1 . 2]" 1
544 1 24 GLN QB 1 25 VAL H . . 3.560 2.804 2.756 3.513 . 0 0 "[ . 1 . 2]" 1
545 1 25 VAL H 1 25 VAL HB . . 3.920 3.560 2.607 3.619 . 0 0 "[ . 1 . 2]" 1
546 1 25 VAL H 1 25 VAL MG1 . . 3.610 2.317 1.908 2.433 . 0 0 "[ . 1 . 2]" 1
547 1 25 VAL H 1 26 THR H . . 6.000 4.360 4.335 4.465 . 0 0 "[ . 1 . 2]" 1
548 1 25 VAL H 1 29 LEU HB2 . . 6.000 6.025 5.972 6.051 0.051 12 0 "[ . 1 . 2]" 1
549 1 25 VAL HA 1 25 VAL MG1 . . 3.610 2.324 2.217 3.197 . 0 0 "[ . 1 . 2]" 1
550 1 25 VAL HA 1 26 THR H . . 3.420 2.161 2.140 2.168 . 0 0 "[ . 1 . 2]" 1
551 1 25 VAL HA 1 26 THR MG . . 4.920 3.821 3.686 3.983 . 0 0 "[ . 1 . 2]" 1
552 1 25 VAL HA 1 29 LEU H . . 5.750 5.602 5.490 5.665 . 0 0 "[ . 1 . 2]" 1
553 1 25 VAL HA 1 29 LEU HB2 . . 6.000 3.684 3.587 3.808 . 0 0 "[ . 1 . 2]" 1
554 1 25 VAL HA 1 29 LEU HB3 . . 5.870 4.010 3.740 4.193 . 0 0 "[ . 1 . 2]" 1
555 1 25 VAL HB 1 26 THR H . . 5.120 3.743 3.600 4.280 . 0 0 "[ . 1 . 2]" 1
556 1 25 VAL HB 1 68 VAL MG2 . . 4.550 2.102 1.892 4.039 . 0 0 "[ . 1 . 2]" 1
557 1 25 VAL MG1 1 26 THR H . . 5.760 3.984 3.925 4.139 . 0 0 "[ . 1 . 2]" 1
558 1 26 THR H 1 26 THR MG . . 4.140 2.201 2.011 2.383 . 0 0 "[ . 1 . 2]" 1
559 1 26 THR H 1 27 ASP H . . 5.020 4.460 4.400 4.481 . 0 0 "[ . 1 . 2]" 1
560 1 26 THR H 1 28 GLN H . . 5.480 4.386 4.327 4.445 . 0 0 "[ . 1 . 2]" 1
561 1 26 THR H 1 29 LEU H . . 4.810 3.774 3.612 3.835 . 0 0 "[ . 1 . 2]" 1
562 1 26 THR H 1 29 LEU HB2 . . 5.160 2.229 2.162 2.357 . 0 0 "[ . 1 . 2]" 1
563 1 26 THR H 1 29 LEU HB3 . . 4.480 3.435 3.273 3.564 . 0 0 "[ . 1 . 2]" 1
564 1 26 THR H 1 68 VAL MG2 . . 3.680 2.814 2.666 2.950 . 0 0 "[ . 1 . 2]" 1
565 1 26 THR HA 1 26 THR MG . . 3.630 3.203 3.188 3.207 . 0 0 "[ . 1 . 2]" 1
566 1 26 THR HA 1 27 ASP H . . 3.030 2.408 2.379 2.520 . 0 0 "[ . 1 . 2]" 1
567 1 26 THR HA 1 28 GLN H . . 4.240 3.975 3.947 4.144 . 0 0 "[ . 1 . 2]" 1
568 1 26 THR HA 1 29 LEU H . . 4.970 4.846 4.809 4.892 . 0 0 "[ . 1 . 2]" 1
569 1 26 THR HA 1 68 VAL H . . 6.000 5.992 5.542 6.042 0.042 19 0 "[ . 1 . 2]" 1
570 1 26 THR HA 1 69 GLY H . . 5.860 5.580 5.411 5.689 . 0 0 "[ . 1 . 2]" 1
571 1 26 THR HB 1 27 ASP H . . 3.770 3.739 3.684 3.771 0.001 9 0 "[ . 1 . 2]" 1
572 1 26 THR HB 1 27 ASP QB . . 5.920 5.777 5.355 5.919 . 0 0 "[ . 1 . 2]" 1
573 1 26 THR HB 1 28 GLN H . . 4.200 4.044 4.028 4.104 . 0 0 "[ . 1 . 2]" 1
574 1 26 THR MG 1 27 ASP H . . 3.630 3.438 3.119 3.539 . 0 0 "[ . 1 . 2]" 1
575 1 26 THR MG 1 28 GLN H . . 3.980 2.069 1.883 2.259 . 0 0 "[ . 1 . 2]" 1
576 1 26 THR MG 1 28 GLN HA . . 4.600 3.942 3.825 4.028 . 0 0 "[ . 1 . 2]" 1
577 1 26 THR MG 1 29 LEU H . . 4.890 2.470 2.327 2.683 . 0 0 "[ . 1 . 2]" 1
578 1 26 THR MG 1 68 VAL MG1 . . 4.840 4.823 4.571 4.861 0.021 3 0 "[ . 1 . 2]" 1
579 1 27 ASP H 1 28 GLN H . . 3.800 2.619 2.597 2.630 . 0 0 "[ . 1 . 2]" 1
580 1 27 ASP H 1 28 GLN HA . . 5.300 5.223 5.207 5.234 . 0 0 "[ . 1 . 2]" 1
581 1 27 ASP H 1 28 GLN HB2 . . 4.680 4.559 4.430 4.655 . 0 0 "[ . 1 . 2]" 1
582 1 27 ASP H 1 29 LEU H . . 5.060 4.259 4.159 4.306 . 0 0 "[ . 1 . 2]" 1
583 1 27 ASP H 1 68 VAL MG1 . . 5.600 3.649 3.187 3.805 . 0 0 "[ . 1 . 2]" 1
584 1 27 ASP H 1 68 VAL MG2 . . 4.460 4.426 3.849 4.487 0.027 5 0 "[ . 1 . 2]" 1
585 1 27 ASP H 1 69 GLY H . . 5.340 4.447 4.312 4.506 . 0 0 "[ . 1 . 2]" 1
586 1 27 ASP HA 1 29 LEU H . . 4.440 3.509 3.439 3.546 . 0 0 "[ . 1 . 2]" 1
587 1 27 ASP HA 1 68 VAL H . . 4.910 3.695 3.259 3.803 . 0 0 "[ . 1 . 2]" 1
588 1 27 ASP HA 1 68 VAL HA . . 5.520 4.803 4.491 4.914 . 0 0 "[ . 1 . 2]" 1
589 1 27 ASP HA 1 68 VAL HB . . 3.870 2.320 1.963 2.410 . 0 0 "[ . 1 . 2]" 1
590 1 27 ASP HA 1 68 VAL MG1 . . 3.780 3.635 3.537 3.720 . 0 0 "[ . 1 . 2]" 1
591 1 27 ASP HA 1 69 GLY H . . 3.870 1.914 1.901 1.925 . 0 0 "[ . 1 . 2]" 1
592 1 27 ASP HA 1 69 GLY QA . . 4.440 2.863 2.791 3.172 . 0 0 "[ . 1 . 2]" 1
593 1 27 ASP QB 1 28 GLN H . . 4.020 3.473 3.083 3.725 . 0 0 "[ . 1 . 2]" 1
594 1 27 ASP QB 1 69 GLY H . . 4.480 2.993 2.610 3.174 . 0 0 "[ . 1 . 2]" 1
595 1 27 ASP QB 1 69 GLY HA2 . . 4.640 3.110 2.624 3.635 . 0 0 "[ . 1 . 2]" 1
596 1 27 ASP QB 1 69 GLY QA . . 4.010 2.015 1.888 2.155 . 0 0 "[ . 1 . 2]" 1
597 1 27 ASP QB 1 69 GLY HA3 . . 4.640 2.044 1.925 2.187 . 0 0 "[ . 1 . 2]" 1
598 1 28 GLN H 1 28 GLN HB2 . . 3.630 2.292 2.216 2.442 . 0 0 "[ . 1 . 2]" 1
599 1 28 GLN H 1 28 GLN HB3 . . 4.170 3.444 2.754 3.591 . 0 0 "[ . 1 . 2]" 1
600 1 28 GLN H 1 28 GLN QG . . 4.270 3.322 2.982 3.971 . 0 0 "[ . 1 . 2]" 1
601 1 28 GLN H 1 29 LEU H . . 3.040 2.536 2.479 2.576 . 0 0 "[ . 1 . 2]" 1
602 1 28 GLN H 1 29 LEU HB2 . . 6.000 4.015 3.908 4.107 . 0 0 "[ . 1 . 2]" 1
603 1 28 GLN H 1 30 ASN H . . 6.000 5.737 5.713 5.769 . 0 0 "[ . 1 . 2]" 1
604 1 28 GLN HB2 1 29 LEU H . . 4.730 3.957 3.842 4.277 . 0 0 "[ . 1 . 2]" 1
605 1 28 GLN HB3 1 29 LEU H . . 5.020 4.170 3.727 4.293 . 0 0 "[ . 1 . 2]" 1
606 1 29 LEU H 1 29 LEU HB2 . . 3.400 2.582 2.509 2.611 . 0 0 "[ . 1 . 2]" 1
607 1 29 LEU H 1 29 LEU HB3 . . 3.820 3.650 3.547 3.724 . 0 0 "[ . 1 . 2]" 1
608 1 29 LEU H 1 30 ASN H . . 5.290 3.413 3.398 3.479 . 0 0 "[ . 1 . 2]" 1
609 1 29 LEU H 1 30 ASN HB2 . . 5.430 5.236 5.117 5.315 . 0 0 "[ . 1 . 2]" 1
610 1 29 LEU H 1 30 ASN HB3 . . 6.000 5.714 5.637 5.813 . 0 0 "[ . 1 . 2]" 1
611 1 29 LEU H 1 67 THR HA . . 6.000 6.003 5.911 6.083 0.083 8 0 "[ . 1 . 2]" 1
612 1 29 LEU H 1 67 THR HB . . 5.300 4.410 4.321 4.722 . 0 0 "[ . 1 . 2]" 1
613 1 29 LEU H 1 68 VAL H . . 4.940 4.661 4.609 4.727 . 0 0 "[ . 1 . 2]" 1
614 1 29 LEU H 1 68 VAL HB . . 4.310 4.311 4.283 4.333 0.023 8 0 "[ . 1 . 2]" 1
615 1 29 LEU H 1 68 VAL MG1 . . 5.650 5.425 5.364 5.455 . 0 0 "[ . 1 . 2]" 1
616 1 29 LEU H 1 68 VAL MG2 . . 4.220 3.966 3.801 4.047 . 0 0 "[ . 1 . 2]" 1
617 1 29 LEU H 1 69 GLY H . . 5.890 4.914 4.863 5.113 . 0 0 "[ . 1 . 2]" 1
618 1 29 LEU HA 1 30 ASN H . . 3.510 2.379 2.374 2.384 . 0 0 "[ . 1 . 2]" 1
619 1 29 LEU HA 1 30 ASN HB3 . . 5.170 4.546 4.474 4.651 . 0 0 "[ . 1 . 2]" 1
620 1 29 LEU HA 1 31 ILE HA . . 6.000 6.085 5.998 6.154 0.154 19 0 "[ . 1 . 2]" 1
621 1 29 LEU HB2 1 30 ASN H . . 5.250 4.563 4.532 4.596 . 0 0 "[ . 1 . 2]" 1
622 1 29 LEU HB2 1 68 VAL H . . 6.000 5.640 5.430 5.984 . 0 0 "[ . 1 . 2]" 1
623 1 29 LEU HB2 1 68 VAL HB . . 5.660 5.190 5.066 5.605 . 0 0 "[ . 1 . 2]" 1
624 1 29 LEU HB2 1 68 VAL MG2 . . 4.080 3.884 3.661 4.087 0.007 5 0 "[ . 1 . 2]" 1
625 1 29 LEU HB3 1 30 ASN H . . 5.240 4.183 4.178 4.189 . 0 0 "[ . 1 . 2]" 1
626 1 29 LEU HB3 1 31 ILE H . . 5.700 5.344 4.977 5.540 . 0 0 "[ . 1 . 2]" 1
627 1 29 LEU HB3 1 34 ASP H . . 6.000 5.841 5.605 6.018 0.018 17 0 "[ . 1 . 2]" 1
628 1 29 LEU HB3 1 34 ASP QB . . 5.180 3.592 3.190 3.782 . 0 0 "[ . 1 . 2]" 1
629 1 29 LEU HB3 1 68 VAL H . . 6.000 5.932 5.602 6.054 0.054 8 0 "[ . 1 . 2]" 1
630 1 29 LEU HB3 1 68 VAL MG2 . . 4.530 4.289 3.957 4.405 . 0 0 "[ . 1 . 2]" 1
631 1 30 ASN H 1 31 ILE H . . 5.020 4.501 4.414 4.545 . 0 0 "[ . 1 . 2]" 1
632 1 30 ASN H 1 34 ASP H . . 4.780 4.616 4.344 4.767 . 0 0 "[ . 1 . 2]" 1
633 1 30 ASN H 1 34 ASP HB2 . . 5.410 4.266 3.708 4.537 . 0 0 "[ . 1 . 2]" 1
634 1 30 ASN H 1 34 ASP QB . . 4.550 4.097 3.619 4.320 . 0 0 "[ . 1 . 2]" 1
635 1 30 ASN H 1 34 ASP HB3 . . 5.410 5.309 5.051 5.424 0.014 17 0 "[ . 1 . 2]" 1
636 1 30 ASN H 1 67 THR HA . . 5.430 5.321 5.213 5.442 0.012 17 0 "[ . 1 . 2]" 1
637 1 30 ASN H 1 67 THR MG . . 5.570 4.033 3.916 4.253 . 0 0 "[ . 1 . 2]" 1
638 1 30 ASN H 1 68 VAL MG2 . . 5.310 5.306 5.242 5.336 0.026 2 0 "[ . 1 . 2]" 1
639 1 30 ASN HA 1 31 ILE H . . 3.410 2.144 2.140 2.151 . 0 0 "[ . 1 . 2]" 1
640 1 30 ASN HA 1 31 ILE HA . . 6.000 4.379 4.363 4.412 . 0 0 "[ . 1 . 2]" 1
641 1 30 ASN HA 1 31 ILE HB . . 5.710 4.612 4.572 4.712 . 0 0 "[ . 1 . 2]" 1
642 1 30 ASN HA 1 31 ILE HG12 . . 6.000 5.773 5.630 5.832 . 0 0 "[ . 1 . 2]" 1
643 1 30 ASN HA 1 31 ILE HG13 . . 5.430 4.392 4.184 4.601 . 0 0 "[ . 1 . 2]" 1
644 1 30 ASN HA 1 32 LYS H . . 4.910 3.928 3.751 4.119 . 0 0 "[ . 1 . 2]" 1
645 1 30 ASN HA 1 33 ASP QB . . 5.810 5.208 4.878 5.708 . 0 0 "[ . 1 . 2]" 1
646 1 30 ASN HA 1 67 THR HA . . 3.500 2.591 2.497 2.703 . 0 0 "[ . 1 . 2]" 1
647 1 30 ASN HA 1 67 THR HB . . 5.120 1.981 1.955 2.071 . 0 0 "[ . 1 . 2]" 1
648 1 30 ASN HA 1 67 THR MG . . 3.660 2.798 2.688 2.940 . 0 0 "[ . 1 . 2]" 1
649 1 30 ASN HA 1 68 VAL H . . 4.410 3.322 3.221 3.461 . 0 0 "[ . 1 . 2]" 1
650 1 30 ASN HB2 1 31 ILE H . . 4.910 4.198 4.075 4.358 . 0 0 "[ . 1 . 2]" 1
651 1 30 ASN HB2 1 33 ASP H . . 4.690 4.478 4.391 4.639 . 0 0 "[ . 1 . 2]" 1
652 1 30 ASN HB2 1 67 THR HA . . 5.070 4.188 3.975 4.463 . 0 0 "[ . 1 . 2]" 1
653 1 30 ASN HB2 1 67 THR MG . . 4.730 1.990 1.901 2.181 . 0 0 "[ . 1 . 2]" 1
654 1 30 ASN HB2 1 70 ALA H . . 6.000 6.080 6.042 6.143 0.143 6 0 "[ . 1 . 2]" 1
655 1 30 ASN HB3 1 31 ILE H . . 4.970 4.348 4.307 4.397 . 0 0 "[ . 1 . 2]" 1
656 1 30 ASN HB3 1 33 ASP H . . 4.770 3.357 3.137 3.480 . 0 0 "[ . 1 . 2]" 1
657 1 30 ASN HB3 1 33 ASP QB . . 4.270 2.888 2.607 3.393 . 0 0 "[ . 1 . 2]" 1
658 1 30 ASN HB3 1 34 ASP H . . 5.190 3.570 3.342 3.671 . 0 0 "[ . 1 . 2]" 1
659 1 30 ASN HB3 1 67 THR HA . . 6.000 5.222 5.105 5.370 . 0 0 "[ . 1 . 2]" 1
660 1 30 ASN HB3 1 67 THR MG . . 4.540 3.435 3.333 3.584 . 0 0 "[ . 1 . 2]" 1
661 1 30 ASN QD 1 31 ILE H . . 5.370 3.743 2.086 4.991 . 0 0 "[ . 1 . 2]" 1
662 1 30 ASN QD 1 31 ILE HB . . 5.810 4.954 3.490 5.932 0.122 18 0 "[ . 1 . 2]" 1
663 1 30 ASN QD 1 67 THR H . . 5.300 4.589 3.562 5.334 0.034 11 0 "[ . 1 . 2]" 1
664 1 30 ASN QD 1 67 THR HA . . 5.420 3.862 2.075 5.082 . 0 0 "[ . 1 . 2]" 1
665 1 30 ASN QD 1 67 THR MG . . 4.020 2.511 2.031 3.082 . 0 0 "[ . 1 . 2]" 1
666 1 31 ILE H 1 31 ILE HB . . 3.720 2.512 2.448 2.717 . 0 0 "[ . 1 . 2]" 1
667 1 31 ILE H 1 31 ILE HG12 . . 4.240 3.865 3.605 3.957 . 0 0 "[ . 1 . 2]" 1
668 1 31 ILE H 1 31 ILE HG13 . . 3.550 2.763 2.337 2.947 . 0 0 "[ . 1 . 2]" 1
669 1 31 ILE H 1 31 ILE MG . . 3.860 3.760 3.751 3.764 . 0 0 "[ . 1 . 2]" 1
670 1 31 ILE H 1 32 LYS H . . 3.920 2.647 2.609 2.803 . 0 0 "[ . 1 . 2]" 1
671 1 31 ILE H 1 34 ASP QB . . 5.250 4.260 3.938 4.407 . 0 0 "[ . 1 . 2]" 1
672 1 31 ILE H 1 67 THR H . . 5.410 5.213 5.100 5.359 . 0 0 "[ . 1 . 2]" 1
673 1 31 ILE H 1 67 THR HA . . 3.820 2.495 2.402 2.650 . 0 0 "[ . 1 . 2]" 1
674 1 31 ILE H 1 68 VAL H . . 4.430 3.561 3.363 3.738 . 0 0 "[ . 1 . 2]" 1
675 1 31 ILE H 1 68 VAL MG2 . . 5.250 3.794 3.598 3.972 . 0 0 "[ . 1 . 2]" 1
676 1 31 ILE HA 1 31 ILE HG13 . . 3.990 2.321 2.276 2.451 . 0 0 "[ . 1 . 2]" 1
677 1 31 ILE HA 1 35 LEU H . . 4.770 2.655 2.452 2.777 . 0 0 "[ . 1 . 2]" 1
678 1 31 ILE HA 1 35 LEU HB2 . . 5.160 3.191 2.429 3.410 . 0 0 "[ . 1 . 2]" 1
679 1 31 ILE HA 1 35 LEU HB3 . . 5.150 4.884 4.124 5.099 . 0 0 "[ . 1 . 2]" 1
680 1 31 ILE HA 1 35 LEU HG . . 4.490 4.296 4.087 4.463 . 0 0 "[ . 1 . 2]" 1
681 1 31 ILE HA 1 37 ALA H . . 5.500 5.432 5.077 5.559 0.059 12 0 "[ . 1 . 2]" 1
682 1 31 ILE HB 1 32 LYS H . . 3.840 2.621 2.486 2.745 . 0 0 "[ . 1 . 2]" 1
683 1 31 ILE HB 1 32 LYS HB2 . . 4.720 4.499 4.317 4.654 . 0 0 "[ . 1 . 2]" 1
684 1 31 ILE HB 1 32 LYS HB3 . . 5.220 5.180 5.035 5.285 0.065 8 0 "[ . 1 . 2]" 1
685 1 31 ILE HB 1 33 ASP H . . 5.390 5.199 4.973 5.477 0.087 8 0 "[ . 1 . 2]" 1
686 1 31 ILE HB 1 35 LEU H . . 6.000 5.009 4.853 5.102 . 0 0 "[ . 1 . 2]" 1
687 1 31 ILE HB 1 37 ALA H . . 6.000 5.814 5.368 5.986 . 0 0 "[ . 1 . 2]" 1
688 1 31 ILE HB 1 66 GLU HA . . 5.860 5.602 5.466 5.785 . 0 0 "[ . 1 . 2]" 1
689 1 31 ILE HB 1 67 THR H . . 6.000 6.047 6.016 6.078 0.078 1 0 "[ . 1 . 2]" 1
690 1 31 ILE HB 1 67 THR HA . . 6.000 3.868 3.807 4.001 . 0 0 "[ . 1 . 2]" 1
691 1 31 ILE HB 1 68 VAL H . . 5.990 5.084 4.843 5.398 . 0 0 "[ . 1 . 2]" 1
692 1 31 ILE HG12 1 32 LYS H . . 5.880 5.158 5.068 5.242 . 0 0 "[ . 1 . 2]" 1
693 1 31 ILE HG12 1 34 ASP QB . . 5.810 5.161 4.999 5.424 . 0 0 "[ . 1 . 2]" 1
694 1 31 ILE HG12 1 35 LEU HG . . 4.390 4.356 4.201 4.433 0.043 13 0 "[ . 1 . 2]" 1
695 1 31 ILE HG12 1 67 THR HA . . 6.000 5.316 5.038 5.476 . 0 0 "[ . 1 . 2]" 1
696 1 31 ILE HG13 1 32 LYS H . . 5.230 4.627 4.504 4.732 . 0 0 "[ . 1 . 2]" 1
697 1 31 ILE HG13 1 68 VAL MG2 . . 3.790 3.358 3.080 3.650 . 0 0 "[ . 1 . 2]" 1
698 1 31 ILE MG 1 32 LYS H . . 4.750 3.417 3.252 3.663 . 0 0 "[ . 1 . 2]" 1
699 1 31 ILE MG 1 32 LYS HA . . 5.090 3.466 3.295 3.762 . 0 0 "[ . 1 . 2]" 1
700 1 31 ILE MG 1 33 ASP H . . 5.330 4.934 4.755 5.270 . 0 0 "[ . 1 . 2]" 1
701 1 31 ILE MG 1 34 ASP H . . 5.810 5.061 4.954 5.349 . 0 0 "[ . 1 . 2]" 1
702 1 31 ILE MG 1 35 LEU H . . 4.770 3.153 3.039 3.346 . 0 0 "[ . 1 . 2]" 1
703 1 31 ILE MG 1 35 LEU HB2 . . 3.450 1.959 1.874 2.176 . 0 0 "[ . 1 . 2]" 1
704 1 31 ILE MG 1 35 LEU HB3 . . 4.570 3.073 2.545 3.304 . 0 0 "[ . 1 . 2]" 1
705 1 31 ILE MG 1 35 LEU MD2 . . 3.560 2.189 1.958 2.696 . 0 0 "[ . 1 . 2]" 1
706 1 31 ILE MG 1 37 ALA H . . 4.920 3.745 3.409 3.953 . 0 0 "[ . 1 . 2]" 1
707 1 31 ILE MG 1 37 ALA HA . . 5.720 4.921 4.558 5.088 . 0 0 "[ . 1 . 2]" 1
708 1 31 ILE MG 1 37 ALA MB . . 3.710 2.757 2.431 2.949 . 0 0 "[ . 1 . 2]" 1
709 1 31 ILE MG 1 67 THR HA . . 5.630 5.246 5.202 5.283 . 0 0 "[ . 1 . 2]" 1
710 1 32 LYS H 1 32 LYS HB2 . . 3.740 2.458 2.348 2.562 . 0 0 "[ . 1 . 2]" 1
711 1 32 LYS H 1 32 LYS HB3 . . 3.550 2.605 2.498 2.724 . 0 0 "[ . 1 . 2]" 1
712 1 32 LYS H 1 32 LYS QD . . 4.820 4.359 4.069 4.609 . 0 0 "[ . 1 . 2]" 1
713 1 32 LYS H 1 32 LYS QG . . 4.050 3.975 3.928 4.042 . 0 0 "[ . 1 . 2]" 1
714 1 32 LYS H 1 33 ASP H . . 3.580 2.917 2.852 3.093 . 0 0 "[ . 1 . 2]" 1
715 1 32 LYS H 1 33 ASP HA . . 5.900 5.463 5.433 5.543 . 0 0 "[ . 1 . 2]" 1
716 1 32 LYS H 1 33 ASP QB . . 5.810 4.785 4.699 4.949 . 0 0 "[ . 1 . 2]" 1
717 1 32 LYS H 1 35 LEU H . . 5.350 4.693 4.545 4.775 . 0 0 "[ . 1 . 2]" 1
718 1 32 LYS H 1 35 LEU MD2 . . 6.000 5.223 4.793 6.029 0.029 2 0 "[ . 1 . 2]" 1
719 1 32 LYS H 1 36 ASN H . . 6.000 5.311 5.202 5.359 . 0 0 "[ . 1 . 2]" 1
720 1 32 LYS H 1 37 ALA H . . 5.650 5.156 5.003 5.286 . 0 0 "[ . 1 . 2]" 1
721 1 32 LYS H 1 66 GLU HB2 . . 5.040 3.923 3.690 4.149 . 0 0 "[ . 1 . 2]" 1
722 1 32 LYS H 1 67 THR H . . 6.000 5.522 5.209 5.709 . 0 0 "[ . 1 . 2]" 1
723 1 32 LYS H 1 67 THR HB . . 6.000 5.209 5.036 5.374 . 0 0 "[ . 1 . 2]" 1
724 1 32 LYS H 1 67 THR MG . . 5.430 3.996 3.783 4.237 . 0 0 "[ . 1 . 2]" 1
725 1 32 LYS HA 1 32 LYS QD . . 4.500 3.708 2.368 4.190 . 0 0 "[ . 1 . 2]" 1
726 1 32 LYS HA 1 35 LEU HB2 . . 4.930 4.449 4.178 4.873 . 0 0 "[ . 1 . 2]" 1
727 1 32 LYS HA 1 36 ASN H . . 5.180 4.141 4.035 4.344 . 0 0 "[ . 1 . 2]" 1
728 1 32 LYS HA 1 36 ASN HA . . 5.710 4.554 4.479 4.644 . 0 0 "[ . 1 . 2]" 1
729 1 32 LYS HA 1 37 ALA H . . 3.620 2.999 2.693 3.201 . 0 0 "[ . 1 . 2]" 1
730 1 32 LYS HA 1 37 ALA MB . . 3.930 2.470 2.206 2.597 . 0 0 "[ . 1 . 2]" 1
731 1 32 LYS HB2 1 33 ASP H . . 3.860 3.805 3.634 3.904 0.044 12 0 "[ . 1 . 2]" 1
732 1 32 LYS HB2 1 37 ALA H . . 5.670 5.440 5.188 5.644 . 0 0 "[ . 1 . 2]" 1
733 1 32 LYS HB2 1 37 ALA MB . . 4.290 4.135 3.805 4.304 0.014 6 0 "[ . 1 . 2]" 1
734 1 32 LYS HB3 1 32 LYS QD . . 3.850 2.343 2.014 3.240 . 0 0 "[ . 1 . 2]" 1
735 1 32 LYS HB3 1 33 ASP H . . 3.760 2.469 2.169 2.618 . 0 0 "[ . 1 . 2]" 1
736 1 32 LYS QD 1 33 ASP H . . 4.960 3.791 2.623 4.957 . 0 0 "[ . 1 . 2]" 1
737 1 32 LYS QG 1 37 ALA MB . . 3.660 3.447 2.690 3.677 0.017 8 0 "[ . 1 . 2]" 1
738 1 33 ASP H 1 33 ASP HB2 . . 3.790 2.474 2.167 2.921 . 0 0 "[ . 1 . 2]" 1
739 1 33 ASP H 1 33 ASP HB3 . . 3.790 2.878 2.332 3.555 . 0 0 "[ . 1 . 2]" 1
740 1 33 ASP H 1 36 ASN H . . 5.840 4.074 4.033 4.143 . 0 0 "[ . 1 . 2]" 1
741 1 33 ASP H 1 67 THR MG . . 5.070 4.791 4.529 4.966 . 0 0 "[ . 1 . 2]" 1
742 1 33 ASP HA 1 34 ASP HA . . 5.100 4.868 4.848 4.895 . 0 0 "[ . 1 . 2]" 1
743 1 33 ASP HA 1 36 ASN H . . 4.200 3.300 3.182 3.382 . 0 0 "[ . 1 . 2]" 1
744 1 33 ASP HA 1 37 ALA H . . 4.870 4.767 4.649 4.875 0.005 19 0 "[ . 1 . 2]" 1
745 1 33 ASP QB 1 34 ASP H . . 3.710 2.271 2.153 2.541 . 0 0 "[ . 1 . 2]" 1
746 1 33 ASP HB2 1 34 ASP H . . 4.390 3.300 2.413 3.820 . 0 0 "[ . 1 . 2]" 1
747 1 33 ASP HB3 1 34 ASP H . . 4.390 2.445 2.174 3.247 . 0 0 "[ . 1 . 2]" 1
748 1 34 ASP H 1 34 ASP HB2 . . 4.000 2.423 2.262 2.571 . 0 0 "[ . 1 . 2]" 1
749 1 34 ASP H 1 34 ASP QB . . 3.500 2.268 2.182 2.518 . 0 0 "[ . 1 . 2]" 1
750 1 34 ASP H 1 34 ASP HB3 . . 4.000 2.779 2.561 3.602 . 0 0 "[ . 1 . 2]" 1
751 1 34 ASP H 1 35 LEU H . . 3.680 3.035 3.007 3.047 . 0 0 "[ . 1 . 2]" 1
752 1 34 ASP H 1 35 LEU HB2 . . 5.220 5.080 4.975 5.151 . 0 0 "[ . 1 . 2]" 1
753 1 34 ASP H 1 35 LEU MD2 . . 5.210 4.430 4.113 5.247 0.037 18 0 "[ . 1 . 2]" 1
754 1 34 ASP H 1 36 ASN H . . 5.630 3.756 3.711 3.775 . 0 0 "[ . 1 . 2]" 1
755 1 34 ASP HA 1 35 LEU HA . . 5.690 4.646 4.611 4.664 . 0 0 "[ . 1 . 2]" 1
756 1 34 ASP HA 1 35 LEU MD2 . . 5.520 4.311 4.083 4.736 . 0 0 "[ . 1 . 2]" 1
757 1 34 ASP HA 1 36 ASN H . . 5.290 4.242 4.181 4.277 . 0 0 "[ . 1 . 2]" 1
758 1 34 ASP QB 1 35 LEU H . . 4.160 2.222 2.192 2.261 . 0 0 "[ . 1 . 2]" 1
759 1 34 ASP QB 1 35 LEU HB2 . . 4.310 3.885 3.549 4.052 . 0 0 "[ . 1 . 2]" 1
760 1 34 ASP QB 1 35 LEU MD2 . . 4.500 2.422 2.089 3.038 . 0 0 "[ . 1 . 2]" 1
761 1 34 ASP HB2 1 35 LEU H . . 4.950 3.512 2.290 3.733 . 0 0 "[ . 1 . 2]" 1
762 1 34 ASP HB3 1 35 LEU H . . 4.950 2.345 2.210 3.303 . 0 0 "[ . 1 . 2]" 1
763 1 35 LEU H 1 35 LEU HB2 . . 3.910 2.213 2.092 2.265 . 0 0 "[ . 1 . 2]" 1
764 1 35 LEU H 1 35 LEU HB3 . . 4.090 3.482 3.258 3.546 . 0 0 "[ . 1 . 2]" 1
765 1 35 LEU H 1 35 LEU MD2 . . 5.070 2.285 1.949 3.041 . 0 0 "[ . 1 . 2]" 1
766 1 35 LEU H 1 35 LEU HG . . 4.360 4.100 3.969 4.399 0.039 18 0 "[ . 1 . 2]" 1
767 1 35 LEU H 1 36 ASN H . . 3.830 2.374 2.289 2.422 . 0 0 "[ . 1 . 2]" 1
768 1 35 LEU H 1 36 ASN HA . . 4.890 4.635 4.542 4.685 . 0 0 "[ . 1 . 2]" 1
769 1 35 LEU H 1 37 ALA H . . 4.980 3.907 3.713 3.975 . 0 0 "[ . 1 . 2]" 1
770 1 35 LEU HA 1 35 LEU MD2 . . 3.410 2.539 2.021 2.805 . 0 0 "[ . 1 . 2]" 1
771 1 35 LEU HA 1 37 ALA H . . 5.530 4.597 4.500 4.733 . 0 0 "[ . 1 . 2]" 1
772 1 35 LEU HB2 1 35 LEU MD2 . . 3.350 2.314 2.221 2.455 . 0 0 "[ . 1 . 2]" 1
773 1 35 LEU HB2 1 36 ASN H . . 4.640 3.276 3.175 3.504 . 0 0 "[ . 1 . 2]" 1
774 1 35 LEU HB2 1 36 ASN HA . . 6.000 5.212 5.080 5.536 . 0 0 "[ . 1 . 2]" 1
775 1 35 LEU HB2 1 36 ASN HB2 . . 6.000 5.581 5.467 5.887 . 0 0 "[ . 1 . 2]" 1
776 1 35 LEU HB3 1 36 ASN H . . 4.980 3.781 3.477 3.911 . 0 0 "[ . 1 . 2]" 1
777 1 35 LEU HB3 1 37 ALA H . . 4.610 3.273 2.764 3.565 . 0 0 "[ . 1 . 2]" 1
778 1 35 LEU MD2 1 36 ASN H . . 5.680 4.152 3.981 4.547 . 0 0 "[ . 1 . 2]" 1
779 1 35 LEU MD2 1 37 ALA H . . 6.000 4.918 4.726 5.199 . 0 0 "[ . 1 . 2]" 1
780 1 35 LEU HG 1 37 ALA H . . 5.650 5.273 5.114 5.417 . 0 0 "[ . 1 . 2]" 1
781 1 36 ASN H 1 37 ALA H . . 3.960 2.569 2.557 2.582 . 0 0 "[ . 1 . 2]" 1
782 1 36 ASN HA 1 37 ALA MB . . 6.000 4.493 4.443 4.526 . 0 0 "[ . 1 . 2]" 1
783 1 36 ASN HB2 1 37 ALA H . . 4.570 4.398 4.326 4.461 . 0 0 "[ . 1 . 2]" 1
784 1 36 ASN HB2 1 37 ALA MB . . 6.000 5.807 5.738 5.866 . 0 0 "[ . 1 . 2]" 1
785 1 36 ASN HB3 1 37 ALA H . . 5.010 4.103 4.031 4.151 . 0 0 "[ . 1 . 2]" 1
786 1 36 ASN HB3 1 37 ALA HA . . 4.790 4.576 4.535 4.638 . 0 0 "[ . 1 . 2]" 1
787 1 37 ALA H 1 37 ALA MB . . 3.570 2.166 2.090 2.238 . 0 0 "[ . 1 . 2]" 1
788 1 37 ALA H 1 38 ASP H . . 4.800 4.612 4.571 4.633 . 0 0 "[ . 1 . 2]" 1
789 1 37 ALA HA 1 38 ASP H . . 3.260 2.213 2.168 2.251 . 0 0 "[ . 1 . 2]" 1
790 1 37 ALA MB 1 38 ASP H . . 4.070 2.868 2.763 3.025 . 0 0 "[ . 1 . 2]" 1
791 1 37 ALA MB 1 39 SER H . . 6.000 5.638 5.564 5.701 . 0 0 "[ . 1 . 2]" 1
792 1 37 ALA MB 1 41 SER HA . . 6.000 5.688 5.287 5.923 . 0 0 "[ . 1 . 2]" 1
793 1 37 ALA MB 1 41 SER QB . . 4.850 3.063 2.723 3.225 . 0 0 "[ . 1 . 2]" 1
794 1 37 ALA MB 1 45 PHE HE2 . . 5.010 2.745 2.554 2.918 . 0 0 "[ . 1 . 2]" 1
795 1 38 ASP H 1 38 ASP QB . . 3.650 2.236 2.052 2.632 . 0 0 "[ . 1 . 2]" 1
796 1 38 ASP H 1 39 SER H . . 4.800 4.600 4.566 4.647 . 0 0 "[ . 1 . 2]" 1
797 1 38 ASP H 1 41 SER QB . . 4.080 3.558 2.961 3.851 . 0 0 "[ . 1 . 2]" 1
798 1 38 ASP H 1 45 PHE HZ . . 6.000 6.008 5.997 6.020 0.020 8 0 "[ . 1 . 2]" 1
799 1 38 ASP HA 1 39 SER H . . 3.440 2.504 2.360 2.596 . 0 0 "[ . 1 . 2]" 1
800 1 38 ASP HA 1 40 ILE H . . 5.410 4.752 4.614 4.898 . 0 0 "[ . 1 . 2]" 1
801 1 38 ASP HA 1 41 SER H . . 5.090 4.969 4.584 5.111 0.021 15 0 "[ . 1 . 2]" 1
802 1 38 ASP HA 1 42 VAL H . . 6.000 6.036 6.002 6.083 0.083 6 0 "[ . 1 . 2]" 1
803 1 38 ASP QB 1 39 SER H . . 3.310 2.403 2.113 3.320 0.010 14 0 "[ . 1 . 2]" 1
804 1 38 ASP QB 1 40 ILE H . . 4.720 3.020 2.801 3.877 . 0 0 "[ . 1 . 2]" 1
805 1 38 ASP HB2 1 39 SER H . . 3.910 3.670 3.153 3.920 0.010 6 0 "[ . 1 . 2]" 1
806 1 38 ASP HB2 1 40 ILE H . . 5.490 4.398 3.569 5.136 . 0 0 "[ . 1 . 2]" 1
807 1 38 ASP HB3 1 39 SER H . . 3.910 2.447 2.143 3.588 . 0 0 "[ . 1 . 2]" 1
808 1 38 ASP HB3 1 40 ILE H . . 5.490 3.105 2.831 4.011 . 0 0 "[ . 1 . 2]" 1
809 1 39 SER H 1 40 ILE H . . 3.990 2.564 2.488 2.826 . 0 0 "[ . 1 . 2]" 1
810 1 39 SER H 1 40 ILE HA . . 5.550 5.165 5.101 5.377 . 0 0 "[ . 1 . 2]" 1
811 1 39 SER H 1 40 ILE HB . . 5.220 4.681 4.608 4.923 . 0 0 "[ . 1 . 2]" 1
812 1 39 SER H 1 40 ILE MD . . 6.000 5.033 4.910 5.479 . 0 0 "[ . 1 . 2]" 1
813 1 39 SER H 1 40 ILE QG . . 5.810 4.001 3.895 4.331 . 0 0 "[ . 1 . 2]" 1
814 1 39 SER H 1 40 ILE MG . . 6.000 5.760 5.701 5.959 . 0 0 "[ . 1 . 2]" 1
815 1 39 SER H 1 41 SER H . . 5.440 3.994 3.788 4.083 . 0 0 "[ . 1 . 2]" 1
816 1 39 SER H 1 42 VAL H . . 5.810 5.055 4.947 5.298 . 0 0 "[ . 1 . 2]" 1
817 1 40 ILE H 1 40 ILE HB . . 3.630 2.607 2.583 2.619 . 0 0 "[ . 1 . 2]" 1
818 1 40 ILE H 1 40 ILE MD . . 4.560 3.100 2.967 3.622 . 0 0 "[ . 1 . 2]" 1
819 1 40 ILE H 1 40 ILE HG12 . . 4.220 2.123 1.986 3.211 . 0 0 "[ . 1 . 2]" 1
820 1 40 ILE H 1 40 ILE QG . . 3.660 1.995 1.976 2.013 . 0 0 "[ . 1 . 2]" 1
821 1 40 ILE H 1 40 ILE HG13 . . 4.220 3.389 2.034 3.554 . 0 0 "[ . 1 . 2]" 1
822 1 40 ILE H 1 40 ILE MG . . 4.250 3.766 3.765 3.767 . 0 0 "[ . 1 . 2]" 1
823 1 40 ILE H 1 41 SER H . . 3.720 2.844 2.735 2.872 . 0 0 "[ . 1 . 2]" 1
824 1 40 ILE HA 1 40 ILE MD . . 4.020 2.186 1.968 3.800 . 0 0 "[ . 1 . 2]" 1
825 1 40 ILE HA 1 40 ILE QG . . 3.650 2.877 2.375 2.952 . 0 0 "[ . 1 . 2]" 1
826 1 40 ILE HA 1 40 ILE MG . . 3.700 2.378 2.316 2.404 . 0 0 "[ . 1 . 2]" 1
827 1 40 ILE HB 1 41 SER H . . 3.860 2.585 2.490 2.910 . 0 0 "[ . 1 . 2]" 1
828 1 40 ILE MD 1 41 SER H . . 5.100 4.627 4.578 4.844 . 0 0 "[ . 1 . 2]" 1
829 1 40 ILE MD 1 43 MET QG . . 5.590 5.018 4.749 5.631 0.041 12 0 "[ . 1 . 2]" 1
830 1 40 ILE QG 1 41 SER H . . 5.140 3.973 3.927 4.074 . 0 0 "[ . 1 . 2]" 1
831 1 40 ILE QG 1 43 MET HB2 . . 5.810 5.578 4.458 5.801 . 0 0 "[ . 1 . 2]" 1
832 1 40 ILE MG 1 41 SER H . . 3.760 3.443 3.354 3.703 . 0 0 "[ . 1 . 2]" 1
833 1 40 ILE MG 1 41 SER HA . . 5.010 3.507 3.380 3.765 . 0 0 "[ . 1 . 2]" 1
834 1 40 ILE MG 1 43 MET QG . . 5.010 4.425 3.496 4.839 . 0 0 "[ . 1 . 2]" 1
835 1 40 ILE MG 1 44 GLU H . . 4.490 4.488 4.227 4.531 0.041 2 0 "[ . 1 . 2]" 1
836 1 40 ILE MG 1 44 GLU QG . . 4.280 3.431 3.302 3.602 . 0 0 "[ . 1 . 2]" 1
837 1 41 SER HA 1 44 GLU H . . 4.730 3.384 3.353 3.523 . 0 0 "[ . 1 . 2]" 1
838 1 41 SER HA 1 44 GLU QB . . 4.780 3.197 3.000 3.529 . 0 0 "[ . 1 . 2]" 1
839 1 41 SER HA 1 44 GLU QG . . 4.970 2.841 2.246 3.953 . 0 0 "[ . 1 . 2]" 1
840 1 42 VAL H 1 42 VAL HB . . 3.670 2.592 2.306 2.660 . 0 0 "[ . 1 . 2]" 1
841 1 42 VAL H 1 42 VAL QG . . 4.140 2.086 1.927 2.506 . 0 0 "[ . 1 . 2]" 1
842 1 42 VAL H 1 43 MET H . . 4.030 2.759 2.673 2.788 . 0 0 "[ . 1 . 2]" 1
843 1 42 VAL H 1 44 GLU H . . 5.220 4.118 4.071 4.266 . 0 0 "[ . 1 . 2]" 1
844 1 42 VAL HA 1 45 PHE H . . 4.170 3.403 3.361 3.443 . 0 0 "[ . 1 . 2]" 1
845 1 42 VAL HA 1 46 VAL H . . 5.540 3.635 3.529 3.792 . 0 0 "[ . 1 . 2]" 1
846 1 42 VAL HB 1 43 MET H . . 3.900 2.797 2.615 3.910 0.010 14 0 "[ . 1 . 2]" 1
847 1 42 VAL QG 1 43 MET H . . 4.500 3.165 2.042 3.336 . 0 0 "[ . 1 . 2]" 1
848 1 42 VAL QG 1 43 MET HA . . 4.960 3.555 3.028 3.683 . 0 0 "[ . 1 . 2]" 1
849 1 42 VAL QG 1 45 PHE H . . 5.200 4.342 4.311 4.377 . 0 0 "[ . 1 . 2]" 1
850 1 42 VAL QG 1 45 PHE HB2 . . 3.470 3.483 3.351 3.508 0.038 13 0 "[ . 1 . 2]" 1
851 1 42 VAL QG 1 45 PHE HB3 . . 5.630 4.694 4.544 4.762 . 0 0 "[ . 1 . 2]" 1
852 1 42 VAL QG 1 62 ALA H . . 5.920 5.922 5.764 5.954 0.034 3 0 "[ . 1 . 2]" 1
853 1 42 VAL QG 1 63 GLU H . . 5.920 5.028 4.878 5.162 . 0 0 "[ . 1 . 2]" 1
854 1 43 MET H 1 43 MET HB3 . . 3.640 3.036 2.540 3.227 . 0 0 "[ . 1 . 2]" 1
855 1 43 MET H 1 44 GLU H . . 3.990 2.626 2.570 2.651 . 0 0 "[ . 1 . 2]" 1
856 1 43 MET H 1 45 PHE H . . 4.730 4.430 4.262 4.507 . 0 0 "[ . 1 . 2]" 1
857 1 43 MET H 1 46 VAL MG1 . . 5.010 4.047 4.010 4.138 . 0 0 "[ . 1 . 2]" 1
858 1 43 MET HA 1 45 PHE H . . 5.090 4.964 4.896 5.055 . 0 0 "[ . 1 . 2]" 1
859 1 43 MET HA 1 46 VAL H . . 4.690 3.987 3.943 4.034 . 0 0 "[ . 1 . 2]" 1
860 1 43 MET HA 1 46 VAL MG1 . . 4.080 2.118 2.032 2.221 . 0 0 "[ . 1 . 2]" 1
861 1 43 MET HA 1 47 LEU H . . 5.000 4.678 4.592 4.787 . 0 0 "[ . 1 . 2]" 1
862 1 43 MET HA 1 47 LEU HB2 . . 4.950 4.804 4.680 4.935 . 0 0 "[ . 1 . 2]" 1
863 1 43 MET HB3 1 44 GLU QG . . 3.180 3.094 2.906 3.168 . 0 0 "[ . 1 . 2]" 1
864 1 43 MET QG 1 44 GLU HA . . 5.100 4.775 3.812 5.104 0.004 12 0 "[ . 1 . 2]" 1
865 1 43 MET QG 1 47 LEU QD . . 4.370 3.953 3.655 4.321 . 0 0 "[ . 1 . 2]" 1
866 1 44 GLU H 1 44 GLU QB . . 3.420 2.486 2.375 2.591 . 0 0 "[ . 1 . 2]" 1
867 1 44 GLU H 1 44 GLU QG . . 3.620 2.394 2.125 2.636 . 0 0 "[ . 1 . 2]" 1
868 1 44 GLU H 1 45 PHE H . . 3.690 2.468 2.429 2.510 . 0 0 "[ . 1 . 2]" 1
869 1 44 GLU H 1 45 PHE HB2 . . 4.800 4.572 4.508 4.628 . 0 0 "[ . 1 . 2]" 1
870 1 44 GLU H 1 46 VAL H . . 5.540 3.782 3.700 3.843 . 0 0 "[ . 1 . 2]" 1
871 1 44 GLU H 1 46 VAL MG1 . . 6.000 3.759 3.708 3.862 . 0 0 "[ . 1 . 2]" 1
872 1 44 GLU HA 1 47 LEU H . . 4.680 3.434 3.274 3.499 . 0 0 "[ . 1 . 2]" 1
873 1 44 GLU HA 1 47 LEU HB2 . . 4.560 2.983 2.847 3.112 . 0 0 "[ . 1 . 2]" 1
874 1 44 GLU QB 1 45 PHE H . . 4.040 2.321 2.240 2.381 . 0 0 "[ . 1 . 2]" 1
875 1 44 GLU QB 1 45 PHE HE1 . . 6.000 4.714 4.471 5.139 . 0 0 "[ . 1 . 2]" 1
876 1 45 PHE H 1 45 PHE HB2 . . 3.650 2.557 2.498 2.605 . 0 0 "[ . 1 . 2]" 1
877 1 45 PHE H 1 45 PHE HB3 . . 3.620 3.590 3.589 3.591 . 0 0 "[ . 1 . 2]" 1
878 1 45 PHE H 1 45 PHE HE1 . . 5.340 5.125 4.952 5.376 0.036 8 0 "[ . 1 . 2]" 1
879 1 45 PHE H 1 45 PHE HE2 . . 5.020 4.722 4.621 4.818 . 0 0 "[ . 1 . 2]" 1
880 1 45 PHE H 1 46 VAL H . . 3.880 2.733 2.698 2.772 . 0 0 "[ . 1 . 2]" 1
881 1 45 PHE H 1 46 VAL MG1 . . 5.460 4.013 3.966 4.072 . 0 0 "[ . 1 . 2]" 1
882 1 45 PHE H 1 47 LEU HB2 . . 5.440 5.401 5.291 5.450 0.010 7 0 "[ . 1 . 2]" 1
883 1 45 PHE HA 1 47 LEU H . . 5.210 3.922 3.888 4.023 . 0 0 "[ . 1 . 2]" 1
884 1 45 PHE HB2 1 45 PHE HE2 . . 4.630 4.596 4.594 4.602 . 0 0 "[ . 1 . 2]" 1
885 1 45 PHE HB2 1 46 VAL H . . 4.900 2.647 2.546 2.798 . 0 0 "[ . 1 . 2]" 1
886 1 45 PHE HB3 1 45 PHE HE2 . . 5.240 5.219 5.176 5.272 0.032 8 0 "[ . 1 . 2]" 1
887 1 45 PHE HB3 1 46 VAL H . . 4.360 3.721 3.646 3.809 . 0 0 "[ . 1 . 2]" 1
888 1 45 PHE HB3 1 46 VAL MG1 . . 6.000 5.431 5.383 5.504 . 0 0 "[ . 1 . 2]" 1
889 1 46 VAL H 1 46 VAL HB . . 3.560 2.487 2.443 2.576 . 0 0 "[ . 1 . 2]" 1
890 1 46 VAL H 1 46 VAL MG1 . . 3.950 2.162 2.057 2.238 . 0 0 "[ . 1 . 2]" 1
891 1 46 VAL H 1 46 VAL MG2 . . 4.060 3.760 3.751 3.782 . 0 0 "[ . 1 . 2]" 1
892 1 46 VAL H 1 47 LEU H . . 3.980 2.550 2.421 2.601 . 0 0 "[ . 1 . 2]" 1
893 1 46 VAL H 1 49 LEU HB2 . . 6.000 5.472 5.365 5.579 . 0 0 "[ . 1 . 2]" 1
894 1 46 VAL H 1 49 LEU HG . . 5.390 5.311 5.246 5.364 . 0 0 "[ . 1 . 2]" 1
895 1 46 VAL HA 1 48 GLU H . . 6.000 4.832 4.388 4.984 . 0 0 "[ . 1 . 2]" 1
896 1 46 VAL HA 1 49 LEU H . . 4.090 3.840 3.610 4.004 . 0 0 "[ . 1 . 2]" 1
897 1 46 VAL HA 1 49 LEU HB3 . . 4.760 4.683 4.579 4.793 0.033 14 0 "[ . 1 . 2]" 1
898 1 46 VAL HA 1 49 LEU MD2 . . 5.690 4.917 4.863 4.963 . 0 0 "[ . 1 . 2]" 1
899 1 46 VAL HA 1 49 LEU HG . . 4.060 4.056 3.943 4.085 0.025 1 0 "[ . 1 . 2]" 1
900 1 46 VAL HA 1 50 GLU H . . 5.460 3.967 3.745 4.346 . 0 0 "[ . 1 . 2]" 1
901 1 46 VAL HA 1 62 ALA MB . . 5.710 5.005 4.340 5.498 . 0 0 "[ . 1 . 2]" 1
902 1 46 VAL HB 1 47 LEU H . . 4.170 4.059 4.011 4.083 . 0 0 "[ . 1 . 2]" 1
903 1 46 VAL MG1 1 47 LEU H . . 5.120 2.366 2.272 2.423 . 0 0 "[ . 1 . 2]" 1
904 1 46 VAL MG1 1 47 LEU HB2 . . 3.680 3.079 3.044 3.097 . 0 0 "[ . 1 . 2]" 1
905 1 46 VAL MG1 1 50 GLU H . . 5.100 5.020 4.887 5.118 0.018 1 0 "[ . 1 . 2]" 1
906 1 46 VAL MG2 1 47 LEU H . . 4.730 3.976 3.946 4.013 . 0 0 "[ . 1 . 2]" 1
907 1 46 VAL MG2 1 47 LEU HA . . 4.440 3.962 3.885 4.065 . 0 0 "[ . 1 . 2]" 1
908 1 46 VAL MG2 1 47 LEU HB2 . . 5.410 4.972 4.915 5.051 . 0 0 "[ . 1 . 2]" 1
909 1 46 VAL MG2 1 49 LEU H . . 5.380 5.048 4.854 5.227 . 0 0 "[ . 1 . 2]" 1
910 1 46 VAL MG2 1 49 LEU HB2 . . 5.720 4.021 3.840 4.166 . 0 0 "[ . 1 . 2]" 1
911 1 46 VAL MG2 1 50 GLU H . . 4.490 4.101 3.878 4.441 . 0 0 "[ . 1 . 2]" 1
912 1 46 VAL MG2 1 57 ILE H . . 5.340 4.522 4.268 4.724 . 0 0 "[ . 1 . 2]" 1
913 1 46 VAL MG2 1 57 ILE HB . . 4.630 2.557 2.310 2.800 . 0 0 "[ . 1 . 2]" 1
914 1 46 VAL MG2 1 57 ILE MD . . 3.350 1.960 1.793 2.225 . 0 0 "[ . 1 . 2]" 1
915 1 46 VAL MG2 1 57 ILE MG . . 3.210 2.125 1.892 2.556 . 0 0 "[ . 1 . 2]" 1
916 1 46 VAL MG2 1 62 ALA H . . 6.000 4.865 4.502 5.126 . 0 0 "[ . 1 . 2]" 1
917 1 47 LEU H 1 47 LEU HB2 . . 3.380 2.360 2.271 2.435 . 0 0 "[ . 1 . 2]" 1
918 1 47 LEU H 1 47 LEU QD . . 4.630 3.645 3.566 3.740 . 0 0 "[ . 1 . 2]" 1
919 1 47 LEU H 1 48 GLU H . . 4.120 2.527 2.395 2.592 . 0 0 "[ . 1 . 2]" 1
920 1 47 LEU H 1 48 GLU HG2 . . 5.400 3.508 3.429 3.559 . 0 0 "[ . 1 . 2]" 1
921 1 47 LEU H 1 57 ILE MD . . 6.000 5.022 4.728 5.426 . 0 0 "[ . 1 . 2]" 1
922 1 47 LEU HA 1 47 LEU QD . . 3.460 2.606 2.064 2.981 . 0 0 "[ . 1 . 2]" 1
923 1 47 LEU HA 1 49 LEU H . . 4.940 4.411 4.287 4.565 . 0 0 "[ . 1 . 2]" 1
924 1 47 LEU HA 1 50 GLU H . . 3.950 3.621 3.290 3.784 . 0 0 "[ . 1 . 2]" 1
925 1 47 LEU HA 1 51 ASP H . . 4.310 4.073 3.997 4.211 . 0 0 "[ . 1 . 2]" 1
926 1 47 LEU HA 1 51 ASP HB2 . . 5.710 4.443 4.200 4.840 . 0 0 "[ . 1 . 2]" 1
927 1 47 LEU HA 1 51 ASP QB . . 4.880 4.221 3.998 4.595 . 0 0 "[ . 1 . 2]" 1
928 1 47 LEU HA 1 51 ASP HB3 . . 5.710 5.270 4.920 5.726 0.016 20 0 "[ . 1 . 2]" 1
929 1 47 LEU HA 1 57 ILE MD . . 5.450 4.431 3.932 4.798 . 0 0 "[ . 1 . 2]" 1
930 1 47 LEU HB2 1 48 GLU H . . 4.040 3.493 3.377 3.690 . 0 0 "[ . 1 . 2]" 1
931 1 47 LEU HB3 1 48 GLU H . . 4.270 2.341 2.198 2.701 . 0 0 "[ . 1 . 2]" 1
932 1 47 LEU HB3 1 48 GLU HG2 . . 5.730 4.037 3.937 4.238 . 0 0 "[ . 1 . 2]" 1
933 1 47 LEU HB3 1 48 GLU HG3 . . 5.400 5.307 5.160 5.425 0.025 7 0 "[ . 1 . 2]" 1
934 1 47 LEU QD 1 48 GLU H . . 5.280 3.665 3.220 3.983 . 0 0 "[ . 1 . 2]" 1
935 1 48 GLU H 1 48 GLU HB3 . . 3.390 2.690 2.642 2.769 . 0 0 "[ . 1 . 2]" 1
936 1 48 GLU H 1 48 GLU HG2 . . 4.300 1.940 1.928 1.952 . 0 0 "[ . 1 . 2]" 1
937 1 48 GLU H 1 48 GLU HG3 . . 3.410 2.972 2.754 3.217 . 0 0 "[ . 1 . 2]" 1
938 1 48 GLU H 1 49 LEU H . . 3.770 2.767 2.558 2.898 . 0 0 "[ . 1 . 2]" 1
939 1 48 GLU H 1 49 LEU HG . . 5.830 4.421 4.222 4.489 . 0 0 "[ . 1 . 2]" 1
940 1 48 GLU H 1 50 GLU H . . 5.830 4.411 4.130 4.657 . 0 0 "[ . 1 . 2]" 1
941 1 48 GLU H 1 51 ASP H . . 5.860 4.682 4.620 4.719 . 0 0 "[ . 1 . 2]" 1
942 1 48 GLU H 1 52 GLU H . . 5.820 5.734 5.621 5.838 0.018 11 0 "[ . 1 . 2]" 1
943 1 48 GLU HA 1 51 ASP H . . 4.650 3.604 3.403 3.712 . 0 0 "[ . 1 . 2]" 1
944 1 48 GLU HA 1 51 ASP QB . . 3.990 2.610 2.474 2.903 . 0 0 "[ . 1 . 2]" 1
945 1 48 GLU HA 1 52 GLU H . . 5.660 3.521 3.411 3.580 . 0 0 "[ . 1 . 2]" 1
946 1 48 GLU HB2 1 49 LEU H . . 4.380 3.534 3.407 3.604 . 0 0 "[ . 1 . 2]" 1
947 1 48 GLU HB2 1 49 LEU MD2 . . 4.600 4.596 4.531 4.639 0.039 8 0 "[ . 1 . 2]" 1
948 1 48 GLU HB3 1 49 LEU H . . 4.280 3.996 3.903 4.061 . 0 0 "[ . 1 . 2]" 1
949 1 48 GLU HG2 1 49 LEU H . . 5.040 2.856 2.543 3.044 . 0 0 "[ . 1 . 2]" 1
950 1 48 GLU HG3 1 49 LEU H . . 4.490 2.009 1.955 2.084 . 0 0 "[ . 1 . 2]" 1
951 1 48 GLU HG3 1 49 LEU HA . . 4.000 3.666 3.587 3.732 . 0 0 "[ . 1 . 2]" 1
952 1 48 GLU HG3 1 49 LEU HB2 . . 4.600 4.051 3.999 4.132 . 0 0 "[ . 1 . 2]" 1
953 1 48 GLU HG3 1 49 LEU MD2 . . 4.080 3.400 3.256 3.536 . 0 0 "[ . 1 . 2]" 1
954 1 49 LEU H 1 49 LEU HB2 . . 3.910 2.537 2.479 2.601 . 0 0 "[ . 1 . 2]" 1
955 1 49 LEU H 1 49 LEU HB3 . . 3.710 3.590 3.583 3.595 . 0 0 "[ . 1 . 2]" 1
956 1 49 LEU H 1 49 LEU MD2 . . 4.800 3.592 3.494 3.656 . 0 0 "[ . 1 . 2]" 1
957 1 49 LEU H 1 49 LEU HG . . 4.070 2.176 2.038 2.294 . 0 0 "[ . 1 . 2]" 1
958 1 49 LEU H 1 50 GLU H . . 3.760 2.712 2.541 2.799 . 0 0 "[ . 1 . 2]" 1
959 1 49 LEU H 1 51 ASP H . . 5.060 3.806 3.667 3.997 . 0 0 "[ . 1 . 2]" 1
960 1 49 LEU H 1 51 ASP HB2 . . 5.860 5.678 5.486 5.876 0.016 20 0 "[ . 1 . 2]" 1
961 1 49 LEU H 1 51 ASP HB3 . . 5.860 5.017 4.737 5.516 . 0 0 "[ . 1 . 2]" 1
962 1 49 LEU H 1 52 GLU H . . 5.490 4.732 4.632 4.881 . 0 0 "[ . 1 . 2]" 1
963 1 49 LEU H 1 53 PHE QD . . 6.000 5.583 5.500 5.639 . 0 0 "[ . 1 . 2]" 1
964 1 49 LEU H 1 53 PHE QE . . 5.840 5.181 5.109 5.295 . 0 0 "[ . 1 . 2]" 1
965 1 49 LEU H 1 57 ILE MD . . 5.770 4.439 4.180 4.746 . 0 0 "[ . 1 . 2]" 1
966 1 49 LEU HA 1 49 LEU MD2 . . 3.640 2.306 2.251 2.350 . 0 0 "[ . 1 . 2]" 1
967 1 49 LEU HA 1 51 ASP H . . 5.430 4.045 3.914 4.257 . 0 0 "[ . 1 . 2]" 1
968 1 49 LEU HA 1 52 GLU QB . . 5.080 3.039 2.763 3.237 . 0 0 "[ . 1 . 2]" 1
969 1 49 LEU HA 1 53 PHE HB3 . . 6.000 5.771 5.654 5.844 . 0 0 "[ . 1 . 2]" 1
970 1 49 LEU HA 1 53 PHE QE . . 3.740 3.184 3.096 3.285 . 0 0 "[ . 1 . 2]" 1
971 1 49 LEU HB2 1 50 GLU H . . 4.400 2.366 2.165 2.732 . 0 0 "[ . 1 . 2]" 1
972 1 49 LEU HB2 1 53 PHE QD . . 6.000 4.073 3.950 4.164 . 0 0 "[ . 1 . 2]" 1
973 1 49 LEU HB2 1 53 PHE QE . . 4.460 3.810 3.725 3.997 . 0 0 "[ . 1 . 2]" 1
974 1 49 LEU HB2 1 57 ILE HB . . 6.000 5.961 5.799 6.027 0.027 9 0 "[ . 1 . 2]" 1
975 1 49 LEU HB2 1 75 ILE MG . . 5.330 5.340 5.256 5.379 0.049 8 0 "[ . 1 . 2]" 1
976 1 49 LEU HB3 1 50 GLU H . . 4.000 3.507 3.257 3.832 . 0 0 "[ . 1 . 2]" 1
977 1 49 LEU HB3 1 53 PHE QD . . 6.000 2.698 2.610 2.787 . 0 0 "[ . 1 . 2]" 1
978 1 49 LEU HB3 1 53 PHE QE . . 4.310 2.082 1.990 2.278 . 0 0 "[ . 1 . 2]" 1
979 1 49 LEU HB3 1 57 ILE MD . . 4.270 3.397 3.235 3.526 . 0 0 "[ . 1 . 2]" 1
980 1 49 LEU MD2 1 53 PHE QD . . 3.800 3.682 3.593 3.742 . 0 0 "[ . 1 . 2]" 1
981 1 49 LEU MD2 1 71 ALA MB . . 4.240 3.439 3.152 3.629 . 0 0 "[ . 1 . 2]" 1
982 1 49 LEU HG 1 53 PHE QE . . 4.440 4.152 4.102 4.223 . 0 0 "[ . 1 . 2]" 1
983 1 50 GLU H 1 50 GLU QG . . 3.740 3.082 2.516 3.803 0.063 10 0 "[ . 1 . 2]" 1
984 1 50 GLU H 1 51 ASP H . . 4.280 2.608 2.489 2.672 . 0 0 "[ . 1 . 2]" 1
985 1 50 GLU H 1 55 THR H . . 5.770 5.342 5.096 5.554 . 0 0 "[ . 1 . 2]" 1
986 1 50 GLU H 1 57 ILE HB . . 5.600 5.403 5.188 5.633 0.033 14 0 "[ . 1 . 2]" 1
987 1 50 GLU H 1 57 ILE MD . . 4.730 2.777 2.632 3.114 . 0 0 "[ . 1 . 2]" 1
988 1 50 GLU H 1 57 ILE QG . . 6.000 4.405 4.047 4.943 . 0 0 "[ . 1 . 2]" 1
989 1 50 GLU HA 1 50 GLU QG . . 3.510 3.156 2.676 3.417 . 0 0 "[ . 1 . 2]" 1
990 1 50 GLU HA 1 51 ASP QB . . 5.810 5.157 5.142 5.180 . 0 0 "[ . 1 . 2]" 1
991 1 50 GLU HA 1 53 PHE H . . 4.630 4.400 4.328 4.467 . 0 0 "[ . 1 . 2]" 1
992 1 50 GLU HA 1 53 PHE HB2 . . 6.000 3.551 3.332 3.884 . 0 0 "[ . 1 . 2]" 1
993 1 50 GLU HA 1 55 THR H . . 3.960 2.722 2.411 3.076 . 0 0 "[ . 1 . 2]" 1
994 1 50 GLU HA 1 57 ILE MD . . 5.410 2.749 2.424 3.153 . 0 0 "[ . 1 . 2]" 1
995 1 50 GLU QB 1 51 ASP H . . 3.800 3.369 2.893 3.620 . 0 0 "[ . 1 . 2]" 1
996 1 50 GLU QB 1 54 GLY H . . 5.500 5.138 5.105 5.305 . 0 0 "[ . 1 . 2]" 1
997 1 50 GLU QG 1 51 ASP H . . 3.930 2.648 2.140 3.333 . 0 0 "[ . 1 . 2]" 1
998 1 50 GLU QG 1 54 GLY H . . 5.990 4.994 4.371 5.411 . 0 0 "[ . 1 . 2]" 1
999 1 50 GLU QG 1 57 ILE H . . 5.260 4.319 4.136 4.610 . 0 0 "[ . 1 . 2]" 1
1000 1 50 GLU QG 1 57 ILE HB . . 6.000 4.554 3.924 5.341 . 0 0 "[ . 1 . 2]" 1
1001 1 51 ASP H 1 51 ASP HB2 . . 3.380 2.673 2.525 2.777 . 0 0 "[ . 1 . 2]" 1
1002 1 51 ASP H 1 51 ASP HB3 . . 3.380 2.509 2.422 2.652 . 0 0 "[ . 1 . 2]" 1
1003 1 51 ASP H 1 52 GLU H . . 4.070 2.637 2.546 2.715 . 0 0 "[ . 1 . 2]" 1
1004 1 51 ASP H 1 57 ILE MD . . 5.690 4.721 4.632 5.106 . 0 0 "[ . 1 . 2]" 1
1005 1 51 ASP HA 1 54 GLY H . . 4.790 3.531 3.479 3.562 . 0 0 "[ . 1 . 2]" 1
1006 1 51 ASP QB 1 52 GLU H . . 3.750 2.144 2.079 2.239 . 0 0 "[ . 1 . 2]" 1
1007 1 51 ASP QB 1 52 GLU HA . . 5.810 4.052 3.915 4.141 . 0 0 "[ . 1 . 2]" 1
1008 1 51 ASP QB 1 52 GLU QB . . 5.170 3.921 3.693 4.274 . 0 0 "[ . 1 . 2]" 1
1009 1 52 GLU H 1 52 GLU HB2 . . 4.170 2.277 2.071 2.458 . 0 0 "[ . 1 . 2]" 1
1010 1 52 GLU H 1 52 GLU QB . . 3.650 2.223 2.051 2.418 . 0 0 "[ . 1 . 2]" 1
1011 1 52 GLU H 1 52 GLU HB3 . . 4.170 3.260 2.603 3.588 . 0 0 "[ . 1 . 2]" 1
1012 1 52 GLU H 1 52 GLU QG . . 4.150 3.238 2.268 4.062 . 0 0 "[ . 1 . 2]" 1
1013 1 52 GLU H 1 53 PHE H . . 3.940 2.985 2.937 3.028 . 0 0 "[ . 1 . 2]" 1
1014 1 52 GLU H 1 53 PHE HB2 . . 5.460 5.316 5.234 5.397 . 0 0 "[ . 1 . 2]" 1
1015 1 52 GLU H 1 53 PHE QE . . 5.900 5.876 5.791 5.955 0.055 11 0 "[ . 1 . 2]" 1
1016 1 52 GLU H 1 54 GLY H . . 5.550 3.874 3.826 3.903 . 0 0 "[ . 1 . 2]" 1
1017 1 52 GLU QB 1 53 PHE H . . 3.960 2.280 2.122 2.444 . 0 0 "[ . 1 . 2]" 1
1018 1 52 GLU QB 1 53 PHE QE . . 5.120 3.532 3.333 3.700 . 0 0 "[ . 1 . 2]" 1
1019 1 52 GLU QB 1 54 GLY H . . 5.280 4.268 4.204 4.318 . 0 0 "[ . 1 . 2]" 1
1020 1 52 GLU HB2 1 53 PHE H . . 4.830 2.875 2.263 3.642 . 0 0 "[ . 1 . 2]" 1
1021 1 52 GLU HB2 1 53 PHE QD . . 6.000 4.306 3.688 4.943 . 0 0 "[ . 1 . 2]" 1
1022 1 52 GLU HB3 1 53 PHE H . . 4.830 2.664 2.142 3.223 . 0 0 "[ . 1 . 2]" 1
1023 1 52 GLU HB3 1 53 PHE QD . . 6.000 3.320 2.954 3.693 . 0 0 "[ . 1 . 2]" 1
1024 1 53 PHE H 1 53 PHE HB2 . . 4.090 2.659 2.630 2.685 . 0 0 "[ . 1 . 2]" 1
1025 1 53 PHE H 1 53 PHE HB3 . . 3.960 3.591 3.584 3.603 . 0 0 "[ . 1 . 2]" 1
1026 1 53 PHE H 1 53 PHE QD . . 3.900 2.948 2.917 2.995 . 0 0 "[ . 1 . 2]" 1
1027 1 53 PHE H 1 53 PHE QE . . 4.250 4.214 4.164 4.251 0.001 16 0 "[ . 1 . 2]" 1
1028 1 53 PHE H 1 54 GLY H . . 3.710 2.558 2.470 2.588 . 0 0 "[ . 1 . 2]" 1
1029 1 53 PHE H 1 55 THR H . . 5.300 4.692 4.595 4.731 . 0 0 "[ . 1 . 2]" 1
1030 1 53 PHE H 1 55 THR MG . . 5.540 4.438 4.294 4.597 . 0 0 "[ . 1 . 2]" 1
1031 1 53 PHE HA 1 53 PHE QE . . 5.000 4.470 4.425 4.496 . 0 0 "[ . 1 . 2]" 1
1032 1 53 PHE HA 1 54 GLY QA . . 5.810 4.300 4.284 4.309 . 0 0 "[ . 1 . 2]" 1
1033 1 53 PHE HB2 1 54 GLY H . . 5.070 2.943 2.934 3.029 . 0 0 "[ . 1 . 2]" 1
1034 1 53 PHE HB2 1 55 THR H . . 5.440 3.529 3.498 3.615 . 0 0 "[ . 1 . 2]" 1
1035 1 53 PHE HB2 1 55 THR HB . . 5.660 3.838 3.726 3.970 . 0 0 "[ . 1 . 2]" 1
1036 1 53 PHE HB2 1 55 THR MG . . 4.720 2.493 2.312 2.607 . 0 0 "[ . 1 . 2]" 1
1037 1 53 PHE HB2 1 75 ILE MD . . 5.270 3.652 3.411 3.925 . 0 0 "[ . 1 . 2]" 1
1038 1 53 PHE HB2 1 75 ILE MG . . 5.070 2.626 2.395 2.828 . 0 0 "[ . 1 . 2]" 1
1039 1 53 PHE HB3 1 54 GLY H . . 4.760 4.052 4.030 4.083 . 0 0 "[ . 1 . 2]" 1
1040 1 53 PHE HB3 1 54 GLY QA . . 5.810 4.880 4.856 4.896 . 0 0 "[ . 1 . 2]" 1
1041 1 53 PHE HB3 1 55 THR H . . 5.450 4.828 4.763 4.902 . 0 0 "[ . 1 . 2]" 1
1042 1 53 PHE HB3 1 55 THR MG . . 5.200 3.379 3.115 3.490 . 0 0 "[ . 1 . 2]" 1
1043 1 53 PHE HB3 1 75 ILE MD . . 5.020 4.308 4.052 4.521 . 0 0 "[ . 1 . 2]" 1
1044 1 53 PHE HB3 1 75 ILE MG . . 5.490 2.425 2.106 2.625 . 0 0 "[ . 1 . 2]" 1
1045 1 53 PHE QD 1 55 THR MG . . 6.000 3.062 2.969 3.154 . 0 0 "[ . 1 . 2]" 1
1046 1 53 PHE QD 1 57 ILE MD . . 5.730 4.024 3.806 4.287 . 0 0 "[ . 1 . 2]" 1
1047 1 53 PHE QD 1 75 ILE MD . . 4.640 2.344 2.161 2.554 . 0 0 "[ . 1 . 2]" 1
1048 1 53 PHE QD 1 75 ILE MG . . 4.860 1.994 1.938 2.294 . 0 0 "[ . 1 . 2]" 1
1049 1 53 PHE QE 1 75 ILE HA . . 5.950 5.963 5.924 5.981 0.031 5 0 "[ . 1 . 2]" 1
1050 1 53 PHE QE 1 75 ILE MD . . 4.240 3.316 3.114 3.480 . 0 0 "[ . 1 . 2]" 1
1051 1 53 PHE QE 1 75 ILE QG . . 4.770 2.456 2.329 2.565 . 0 0 "[ . 1 . 2]" 1
1052 1 53 PHE QE 1 75 ILE MG . . 3.820 3.459 3.367 3.594 . 0 0 "[ . 1 . 2]" 1
1053 1 53 PHE HZ 1 75 ILE QG . . 5.810 4.427 4.334 4.516 . 0 0 "[ . 1 . 2]" 1
1054 1 54 GLY H 1 55 THR H . . 3.870 2.725 2.702 2.756 . 0 0 "[ . 1 . 2]" 1
1055 1 54 GLY H 1 55 THR HB . . 5.100 4.917 4.858 5.020 . 0 0 "[ . 1 . 2]" 1
1056 1 54 GLY QA 1 55 THR HA . . 5.250 3.974 3.973 3.976 . 0 0 "[ . 1 . 2]" 1
1057 1 54 GLY HA2 1 55 THR HA . . 6.000 4.365 4.346 4.374 . 0 0 "[ . 1 . 2]" 1
1058 1 54 GLY HA3 1 55 THR HA . . 6.000 4.572 4.565 4.598 . 0 0 "[ . 1 . 2]" 1
1059 1 55 THR H 1 55 THR MG . . 4.160 2.209 2.073 2.338 . 0 0 "[ . 1 . 2]" 1
1060 1 55 THR H 1 56 GLU H . . 5.100 4.420 4.387 4.439 . 0 0 "[ . 1 . 2]" 1
1061 1 55 THR H 1 56 GLU QB . . 6.000 5.650 5.556 5.759 . 0 0 "[ . 1 . 2]" 1
1062 1 55 THR HA 1 56 GLU H . . 3.280 2.370 2.247 2.469 . 0 0 "[ . 1 . 2]" 1
1063 1 55 THR HB 1 56 GLU H . . 4.470 3.838 3.742 3.968 . 0 0 "[ . 1 . 2]" 1
1064 1 55 THR HB 1 57 ILE QG . . 6.000 5.192 5.049 5.368 . 0 0 "[ . 1 . 2]" 1
1065 1 55 THR MG 1 56 GLU H . . 4.150 3.429 3.135 3.788 . 0 0 "[ . 1 . 2]" 1
1066 1 55 THR MG 1 56 GLU HA . . 5.180 4.072 3.850 4.335 . 0 0 "[ . 1 . 2]" 1
1067 1 55 THR MG 1 57 ILE H . . 6.000 4.295 4.058 4.563 . 0 0 "[ . 1 . 2]" 1
1068 1 55 THR MG 1 57 ILE HB . . 5.000 4.852 4.627 4.985 . 0 0 "[ . 1 . 2]" 1
1069 1 55 THR MG 1 57 ILE MD . . 4.200 2.993 2.692 3.247 . 0 0 "[ . 1 . 2]" 1
1070 1 55 THR MG 1 57 ILE QG . . 3.370 2.503 2.336 2.619 . 0 0 "[ . 1 . 2]" 1
1071 1 55 THR MG 1 74 TYR HE2 . . 4.960 4.192 3.839 4.518 . 0 0 "[ . 1 . 2]" 1
1072 1 55 THR MG 1 75 ILE MG . . 4.270 2.148 1.944 2.384 . 0 0 "[ . 1 . 2]" 1
1073 1 56 GLU H 1 56 GLU QB . . 3.490 2.477 2.287 2.878 . 0 0 "[ . 1 . 2]" 1
1074 1 56 GLU H 1 56 GLU QG . . 4.120 3.421 1.933 4.075 . 0 0 "[ . 1 . 2]" 1
1075 1 56 GLU H 1 57 ILE H . . 5.460 4.440 4.380 4.502 . 0 0 "[ . 1 . 2]" 1
1076 1 56 GLU HA 1 56 GLU QG . . 3.540 2.665 2.172 3.363 . 0 0 "[ . 1 . 2]" 1
1077 1 56 GLU QB 1 57 ILE H . . 4.990 3.608 3.184 3.830 . 0 0 "[ . 1 . 2]" 1
1078 1 56 GLU QB 1 57 ILE MG . . 6.000 5.824 5.660 5.979 . 0 0 "[ . 1 . 2]" 1
1079 1 56 GLU QG 1 57 ILE H . . 5.270 3.226 2.647 4.318 . 0 0 "[ . 1 . 2]" 1
1080 1 56 GLU QG 1 57 ILE HA . . 4.410 4.235 3.981 4.385 . 0 0 "[ . 1 . 2]" 1
1081 1 56 GLU QG 1 57 ILE MG . . 6.000 5.362 5.006 5.797 . 0 0 "[ . 1 . 2]" 1
1082 1 57 ILE H 1 57 ILE HB . . 3.970 2.587 2.521 2.668 . 0 0 "[ . 1 . 2]" 1
1083 1 57 ILE H 1 57 ILE MD . . 5.340 3.747 3.289 4.067 . 0 0 "[ . 1 . 2]" 1
1084 1 57 ILE H 1 57 ILE QG . . 4.880 2.637 2.442 2.806 . 0 0 "[ . 1 . 2]" 1
1085 1 57 ILE H 1 58 SER H . . 5.420 4.328 4.271 4.364 . 0 0 "[ . 1 . 2]" 1
1086 1 57 ILE HA 1 74 TYR HD2 . . 4.690 4.428 4.317 4.664 . 0 0 "[ . 1 . 2]" 1
1087 1 57 ILE HA 1 74 TYR HE2 . . 5.320 2.032 1.973 2.327 . 0 0 "[ . 1 . 2]" 1
1088 1 57 ILE HB 1 57 ILE MD . . 3.310 2.296 2.041 2.426 . 0 0 "[ . 1 . 2]" 1
1089 1 57 ILE HB 1 58 SER H . . 5.230 4.271 4.179 4.355 . 0 0 "[ . 1 . 2]" 1
1090 1 57 ILE MD 1 75 ILE H . . 6.000 5.573 5.058 6.016 0.016 17 0 "[ . 1 . 2]" 1
1091 1 57 ILE QG 1 58 SER H . . 5.560 4.214 4.126 4.288 . 0 0 "[ . 1 . 2]" 1
1092 1 57 ILE QG 1 74 TYR HE2 . . 6.000 2.036 1.938 2.502 . 0 0 "[ . 1 . 2]" 1
1093 1 57 ILE MG 1 58 SER H . . 4.340 2.728 2.558 2.973 . 0 0 "[ . 1 . 2]" 1
1094 1 57 ILE MG 1 58 SER HA . . 4.860 4.221 4.174 4.250 . 0 0 "[ . 1 . 2]" 1
1095 1 57 ILE MG 1 61 ASP H . . 5.010 4.895 4.648 5.011 0.001 3 0 "[ . 1 . 2]" 1
1096 1 57 ILE MG 1 61 ASP HB2 . . 4.200 3.743 3.065 4.135 . 0 0 "[ . 1 . 2]" 1
1097 1 57 ILE MG 1 61 ASP HB3 . . 4.200 3.905 3.081 4.207 0.007 14 0 "[ . 1 . 2]" 1
1098 1 57 ILE MG 1 62 ALA H . . 3.930 3.322 2.756 3.612 . 0 0 "[ . 1 . 2]" 1
1099 1 57 ILE MG 1 62 ALA HA . . 4.160 2.660 2.495 2.777 . 0 0 "[ . 1 . 2]" 1
1100 1 57 ILE MG 1 62 ALA MB . . 3.530 2.151 1.806 2.688 . 0 0 "[ . 1 . 2]" 1
1101 1 57 ILE MG 1 65 ILE HB . . 5.340 4.504 4.053 4.973 . 0 0 "[ . 1 . 2]" 1
1102 1 57 ILE MG 1 74 TYR HD2 . . 4.060 3.170 2.815 3.482 . 0 0 "[ . 1 . 2]" 1
1103 1 57 ILE MG 1 74 TYR HE2 . . 5.210 2.032 1.929 2.287 . 0 0 "[ . 1 . 2]" 1
1104 1 58 SER H 1 58 SER HB2 . . 4.140 2.353 2.075 3.016 . 0 0 "[ . 1 . 2]" 1
1105 1 58 SER H 1 58 SER QB . . 3.500 2.304 2.052 2.842 . 0 0 "[ . 1 . 2]" 1
1106 1 58 SER H 1 58 SER HB3 . . 4.140 3.403 2.824 3.592 . 0 0 "[ . 1 . 2]" 1
1107 1 58 SER H 1 59 ASP H . . 5.400 4.634 4.614 4.641 . 0 0 "[ . 1 . 2]" 1
1108 1 58 SER H 1 60 GLU H . . 6.000 5.611 5.230 6.031 0.031 11 0 "[ . 1 . 2]" 1
1109 1 58 SER H 1 61 ASP HB2 . . 5.180 3.644 3.116 3.893 . 0 0 "[ . 1 . 2]" 1
1110 1 58 SER H 1 61 ASP QB . . 4.350 3.498 3.041 3.708 . 0 0 "[ . 1 . 2]" 1
1111 1 58 SER H 1 61 ASP HB3 . . 5.180 4.683 3.597 5.150 . 0 0 "[ . 1 . 2]" 1
1112 1 58 SER H 1 62 ALA HA . . 6.000 5.711 5.565 5.962 . 0 0 "[ . 1 . 2]" 1
1113 1 58 SER HA 1 60 GLU H . . 4.680 4.326 4.043 4.707 0.027 15 0 "[ . 1 . 2]" 1
1114 1 58 SER HA 1 60 GLU QG . . 5.250 5.109 4.782 5.270 0.020 1 0 "[ . 1 . 2]" 1
1115 1 58 SER HA 1 62 ALA H . . 5.590 5.208 5.009 5.388 . 0 0 "[ . 1 . 2]" 1
1116 1 58 SER QB 1 59 ASP H . . 3.490 2.568 2.314 3.171 . 0 0 "[ . 1 . 2]" 1
1117 1 58 SER QB 1 60 GLU H . . 4.320 2.690 2.281 3.061 . 0 0 "[ . 1 . 2]" 1
1118 1 58 SER QB 1 61 ASP H . . 3.670 2.396 2.237 2.574 . 0 0 "[ . 1 . 2]" 1
1119 1 58 SER HB2 1 59 ASP H . . 4.300 3.744 3.142 4.040 . 0 0 "[ . 1 . 2]" 1
1120 1 58 SER HB3 1 59 ASP H . . 4.300 2.625 2.346 3.347 . 0 0 "[ . 1 . 2]" 1
1121 1 59 ASP H 1 59 ASP HB2 . . 4.150 2.245 2.126 2.528 . 0 0 "[ . 1 . 2]" 1
1122 1 59 ASP H 1 59 ASP QB . . 3.490 2.189 2.101 2.400 . 0 0 "[ . 1 . 2]" 1
1123 1 59 ASP H 1 59 ASP HB3 . . 4.150 3.233 2.625 3.610 . 0 0 "[ . 1 . 2]" 1
1124 1 59 ASP H 1 60 GLU H . . 4.180 2.416 2.359 2.518 . 0 0 "[ . 1 . 2]" 1
1125 1 59 ASP H 1 60 GLU HA . . 5.380 5.063 5.003 5.147 . 0 0 "[ . 1 . 2]" 1
1126 1 59 ASP H 1 60 GLU QB . . 5.690 4.704 4.615 4.846 . 0 0 "[ . 1 . 2]" 1
1127 1 59 ASP H 1 60 GLU QG . . 5.870 3.518 3.466 3.556 . 0 0 "[ . 1 . 2]" 1
1128 1 59 ASP H 1 61 ASP H . . 6.000 4.288 3.916 4.534 . 0 0 "[ . 1 . 2]" 1
1129 1 59 ASP H 1 62 ALA H . . 4.950 4.632 4.447 4.737 . 0 0 "[ . 1 . 2]" 1
1130 1 59 ASP H 1 62 ALA MB . . 5.760 4.482 4.348 4.753 . 0 0 "[ . 1 . 2]" 1
1131 1 59 ASP HA 1 62 ALA H . . 4.550 3.840 3.616 4.010 . 0 0 "[ . 1 . 2]" 1
1132 1 59 ASP HA 1 62 ALA MB . . 3.830 2.656 2.429 3.115 . 0 0 "[ . 1 . 2]" 1
1133 1 59 ASP HA 1 63 GLU H . . 5.600 5.400 5.038 5.603 0.003 8 0 "[ . 1 . 2]" 1
1134 1 59 ASP QB 1 60 GLU H . . 3.690 2.779 2.361 3.102 . 0 0 "[ . 1 . 2]" 1
1135 1 59 ASP HB2 1 60 GLU H . . 4.270 3.263 2.426 3.978 . 0 0 "[ . 1 . 2]" 1
1136 1 59 ASP HB3 1 60 GLU H . . 4.270 3.191 2.390 3.790 . 0 0 "[ . 1 . 2]" 1
1137 1 60 GLU H 1 60 GLU QB . . 3.800 2.606 2.588 2.635 . 0 0 "[ . 1 . 2]" 1
1138 1 60 GLU H 1 60 GLU QG . . 4.240 2.003 1.912 2.098 . 0 0 "[ . 1 . 2]" 1
1139 1 60 GLU H 1 61 ASP H . . 3.950 2.666 2.611 2.733 . 0 0 "[ . 1 . 2]" 1
1140 1 60 GLU H 1 62 ALA MB . . 6.000 4.316 3.974 4.901 . 0 0 "[ . 1 . 2]" 1
1141 1 60 GLU HA 1 60 GLU QG . . 3.900 2.965 2.543 3.337 . 0 0 "[ . 1 . 2]" 1
1142 1 60 GLU HA 1 62 ALA H . . 5.150 4.156 3.967 4.596 . 0 0 "[ . 1 . 2]" 1
1143 1 60 GLU QB 1 61 ASP H . . 4.110 2.489 2.074 3.268 . 0 0 "[ . 1 . 2]" 1
1144 1 60 GLU QB 1 62 ALA H . . 5.320 4.505 4.180 5.229 . 0 0 "[ . 1 . 2]" 1
1145 1 60 GLU QB 1 63 GLU H . . 6.000 4.814 4.647 4.938 . 0 0 "[ . 1 . 2]" 1
1146 1 60 GLU QG 1 61 ASP H . . 4.130 2.983 1.867 3.623 . 0 0 "[ . 1 . 2]" 1
1147 1 61 ASP H 1 61 ASP QB . . 3.570 2.278 2.046 2.507 . 0 0 "[ . 1 . 2]" 1
1148 1 61 ASP H 1 62 ALA H . . 4.040 2.720 2.656 2.889 . 0 0 "[ . 1 . 2]" 1
1149 1 61 ASP H 1 62 ALA HA . . 6.000 5.271 5.200 5.446 . 0 0 "[ . 1 . 2]" 1
1150 1 61 ASP H 1 62 ALA MB . . 5.420 4.322 4.231 4.435 . 0 0 "[ . 1 . 2]" 1
1151 1 61 ASP H 1 65 ILE MD . . 6.000 6.087 5.816 6.242 0.242 18 0 "[ . 1 . 2]" 1
1152 1 61 ASP H 1 65 ILE MG . . 6.000 5.377 5.016 5.792 . 0 0 "[ . 1 . 2]" 1
1153 1 61 ASP HA 1 64 LYS H . . 5.380 3.070 2.870 3.453 . 0 0 "[ . 1 . 2]" 1
1154 1 61 ASP QB 1 62 ALA H . . 3.880 2.825 2.416 2.998 . 0 0 "[ . 1 . 2]" 1
1155 1 61 ASP QB 1 62 ALA HA . . 5.270 3.899 3.726 3.977 . 0 0 "[ . 1 . 2]" 1
1156 1 61 ASP QB 1 62 ALA MB . . 4.580 4.083 3.752 4.268 . 0 0 "[ . 1 . 2]" 1
1157 1 61 ASP QB 1 63 GLU H . . 5.580 4.392 4.242 4.449 . 0 0 "[ . 1 . 2]" 1
1158 1 61 ASP QB 1 65 ILE MD . . 4.870 3.881 3.371 4.213 . 0 0 "[ . 1 . 2]" 1
1159 1 61 ASP HB2 1 62 ALA H . . 4.630 3.011 2.486 3.316 . 0 0 "[ . 1 . 2]" 1
1160 1 61 ASP HB2 1 62 ALA HA . . 6.000 4.607 4.223 5.230 . 0 0 "[ . 1 . 2]" 1
1161 1 61 ASP HB3 1 62 ALA H . . 4.630 3.575 2.705 3.934 . 0 0 "[ . 1 . 2]" 1
1162 1 61 ASP HB3 1 62 ALA HA . . 6.000 4.272 3.814 4.616 . 0 0 "[ . 1 . 2]" 1
1163 1 62 ALA H 1 62 ALA MB . . 3.540 2.131 2.048 2.232 . 0 0 "[ . 1 . 2]" 1
1164 1 62 ALA H 1 63 GLU H . . 4.100 2.730 2.687 2.774 . 0 0 "[ . 1 . 2]" 1
1165 1 62 ALA H 1 64 LYS H . . 5.590 4.205 4.168 4.253 . 0 0 "[ . 1 . 2]" 1
1166 1 62 ALA H 1 64 LYS QE . . 5.690 5.530 5.052 5.714 0.024 5 0 "[ . 1 . 2]" 1
1167 1 62 ALA H 1 64 LYS QG . . 5.000 4.726 4.328 5.032 0.032 15 0 "[ . 1 . 2]" 1
1168 1 62 ALA H 1 65 ILE MD . . 5.620 4.324 4.034 4.492 . 0 0 "[ . 1 . 2]" 1
1169 1 62 ALA H 1 65 ILE HG13 . . 6.000 4.579 4.292 4.794 . 0 0 "[ . 1 . 2]" 1
1170 1 62 ALA H 1 65 ILE MG . . 6.000 4.752 4.429 5.094 . 0 0 "[ . 1 . 2]" 1
1171 1 62 ALA HA 1 64 LYS H . . 5.390 4.149 3.758 4.402 . 0 0 "[ . 1 . 2]" 1
1172 1 62 ALA HA 1 65 ILE H . . 4.950 3.922 3.570 4.292 . 0 0 "[ . 1 . 2]" 1
1173 1 62 ALA HA 1 65 ILE HB . . 4.970 4.600 4.566 4.638 . 0 0 "[ . 1 . 2]" 1
1174 1 62 ALA HA 1 65 ILE MD . . 3.930 2.284 2.188 2.395 . 0 0 "[ . 1 . 2]" 1
1175 1 62 ALA HA 1 65 ILE HG12 . . 4.480 2.249 1.978 2.621 . 0 0 "[ . 1 . 2]" 1
1176 1 62 ALA HA 1 65 ILE HG13 . . 3.180 2.284 2.004 2.531 . 0 0 "[ . 1 . 2]" 1
1177 1 62 ALA HA 1 65 ILE MG . . 5.960 3.963 3.712 4.273 . 0 0 "[ . 1 . 2]" 1
1178 1 62 ALA HA 1 66 GLU H . . 6.000 6.081 6.029 6.145 0.145 15 0 "[ . 1 . 2]" 1
1179 1 62 ALA HA 1 66 GLU QG . . 6.000 4.425 4.207 4.667 . 0 0 "[ . 1 . 2]" 1
1180 1 62 ALA MB 1 63 GLU H . . 4.230 3.010 2.927 3.089 . 0 0 "[ . 1 . 2]" 1
1181 1 62 ALA MB 1 63 GLU HA . . 4.880 3.918 3.861 3.980 . 0 0 "[ . 1 . 2]" 1
1182 1 62 ALA MB 1 63 GLU QB . . 4.310 3.963 3.813 4.075 . 0 0 "[ . 1 . 2]" 1
1183 1 62 ALA MB 1 64 LYS H . . 5.590 4.574 4.433 4.652 . 0 0 "[ . 1 . 2]" 1
1184 1 62 ALA MB 1 65 ILE MD . . 4.480 3.185 3.046 3.318 . 0 0 "[ . 1 . 2]" 1
1185 1 62 ALA MB 1 65 ILE HG12 . . 4.080 3.860 3.702 4.064 . 0 0 "[ . 1 . 2]" 1
1186 1 63 GLU H 1 63 GLU QB . . 3.470 2.236 2.125 2.315 . 0 0 "[ . 1 . 2]" 1
1187 1 63 GLU H 1 63 GLU QG . . 5.040 3.911 3.453 4.086 . 0 0 "[ . 1 . 2]" 1
1188 1 63 GLU H 1 64 LYS H . . 3.850 2.301 2.282 2.358 . 0 0 "[ . 1 . 2]" 1
1189 1 63 GLU H 1 64 LYS QG . . 4.990 3.669 3.303 3.915 . 0 0 "[ . 1 . 2]" 1
1190 1 63 GLU H 1 65 ILE H . . 5.460 4.080 3.950 4.197 . 0 0 "[ . 1 . 2]" 1
1191 1 63 GLU HA 1 63 GLU QG . . 3.780 2.263 2.011 2.450 . 0 0 "[ . 1 . 2]" 1
1192 1 63 GLU QB 1 64 LYS H . . 4.050 2.919 2.751 3.146 . 0 0 "[ . 1 . 2]" 1
1193 1 63 GLU QG 1 64 LYS H . . 5.520 4.336 3.835 4.655 . 0 0 "[ . 1 . 2]" 1
1194 1 64 LYS H 1 64 LYS QB . . 3.560 2.712 2.630 2.946 . 0 0 "[ . 1 . 2]" 1
1195 1 64 LYS H 1 64 LYS QE . . 5.980 4.139 3.232 4.550 . 0 0 "[ . 1 . 2]" 1
1196 1 64 LYS H 1 64 LYS HG2 . . 4.350 2.725 1.940 3.221 . 0 0 "[ . 1 . 2]" 1
1197 1 64 LYS H 1 64 LYS QG . . 3.680 2.229 1.900 2.370 . 0 0 "[ . 1 . 2]" 1
1198 1 64 LYS H 1 64 LYS HG3 . . 4.350 2.682 2.342 3.773 . 0 0 "[ . 1 . 2]" 1
1199 1 64 LYS H 1 65 ILE MD . . 5.320 5.066 4.832 5.197 . 0 0 "[ . 1 . 2]" 1
1200 1 64 LYS H 1 65 ILE HG13 . . 6.000 3.807 3.489 3.997 . 0 0 "[ . 1 . 2]" 1
1201 1 64 LYS H 1 65 ILE MG . . 4.250 3.724 3.354 4.105 . 0 0 "[ . 1 . 2]" 1
1202 1 64 LYS HA 1 64 LYS HG2 . . 4.130 3.495 2.630 4.130 0.000 3 0 "[ . 1 . 2]" 1
1203 1 64 LYS HA 1 64 LYS QG . . 3.590 3.095 2.557 3.365 . 0 0 "[ . 1 . 2]" 1
1204 1 64 LYS HA 1 64 LYS HG3 . . 4.130 3.632 3.490 3.901 . 0 0 "[ . 1 . 2]" 1
1205 1 64 LYS HA 1 65 ILE HG12 . . 6.000 5.904 5.726 6.076 0.076 19 0 "[ . 1 . 2]" 1
1206 1 64 LYS QB 1 65 ILE H . . 4.230 3.337 2.407 4.049 . 0 0 "[ . 1 . 2]" 1
1207 1 64 LYS QG 1 65 ILE H . . 4.860 3.474 1.906 3.709 . 0 0 "[ . 1 . 2]" 1
1208 1 65 ILE H 1 65 ILE HB . . 4.040 3.769 3.607 3.933 . 0 0 "[ . 1 . 2]" 1
1209 1 65 ILE H 1 65 ILE MD . . 5.790 3.827 3.752 3.917 . 0 0 "[ . 1 . 2]" 1
1210 1 65 ILE H 1 65 ILE HG12 . . 4.440 2.983 2.510 3.478 . 0 0 "[ . 1 . 2]" 1
1211 1 65 ILE H 1 65 ILE HG13 . . 4.760 2.264 2.224 2.309 . 0 0 "[ . 1 . 2]" 1
1212 1 65 ILE H 1 65 ILE MG . . 4.590 2.728 2.354 3.070 . 0 0 "[ . 1 . 2]" 1
1213 1 65 ILE H 1 66 GLU H . . 4.450 3.032 2.246 3.949 . 0 0 "[ . 1 . 2]" 1
1214 1 65 ILE H 1 66 GLU QG . . 5.750 3.194 2.464 4.039 . 0 0 "[ . 1 . 2]" 1
1215 1 65 ILE HA 1 65 ILE MD . . 4.040 3.951 3.874 4.032 . 0 0 "[ . 1 . 2]" 1
1216 1 65 ILE HA 1 65 ILE MG . . 3.550 2.315 2.236 2.380 . 0 0 "[ . 1 . 2]" 1
1217 1 65 ILE HA 1 66 GLU H . . 3.410 2.669 2.366 2.892 . 0 0 "[ . 1 . 2]" 1
1218 1 65 ILE HA 1 66 GLU QG . . 4.600 4.447 4.180 4.597 . 0 0 "[ . 1 . 2]" 1
1219 1 65 ILE HA 1 67 THR H . . 4.710 3.236 3.165 3.416 . 0 0 "[ . 1 . 2]" 1
1220 1 65 ILE HA 1 70 ALA MB . . 3.630 1.937 1.897 2.000 . 0 0 "[ . 1 . 2]" 1
1221 1 65 ILE HB 1 66 GLU H . . 4.690 4.358 4.158 4.455 . 0 0 "[ . 1 . 2]" 1
1222 1 65 ILE HB 1 71 ALA HA . . 5.130 2.525 2.426 2.600 . 0 0 "[ . 1 . 2]" 1
1223 1 65 ILE HB 1 74 TYR HD1 . . 6.000 5.278 5.137 5.511 . 0 0 "[ . 1 . 2]" 1
1224 1 65 ILE HB 1 74 TYR HE2 . . 6.000 5.540 5.224 5.920 . 0 0 "[ . 1 . 2]" 1
1225 1 65 ILE MD 1 65 ILE MG . . 3.830 2.800 2.706 2.892 . 0 0 "[ . 1 . 2]" 1
1226 1 65 ILE MD 1 66 GLU H . . 5.110 4.751 4.479 5.013 . 0 0 "[ . 1 . 2]" 1
1227 1 65 ILE MD 1 66 GLU QG . . 5.460 3.922 3.433 4.547 . 0 0 "[ . 1 . 2]" 1
1228 1 65 ILE MD 1 70 ALA MB . . 4.950 4.770 4.584 4.911 . 0 0 "[ . 1 . 2]" 1
1229 1 65 ILE MD 1 71 ALA H . . 5.720 5.581 5.272 5.764 0.044 18 0 "[ . 1 . 2]" 1
1230 1 65 ILE MD 1 71 ALA MB . . 4.830 3.820 3.697 3.975 . 0 0 "[ . 1 . 2]" 1
1231 1 65 ILE MD 1 74 TYR HD2 . . 3.120 2.684 2.254 3.131 0.011 8 0 "[ . 1 . 2]" 1
1232 1 65 ILE MD 1 74 TYR HE2 . . 4.410 3.228 2.832 3.809 . 0 0 "[ . 1 . 2]" 1
1233 1 65 ILE HG12 1 65 ILE MG . . 3.320 2.134 2.112 2.148 . 0 0 "[ . 1 . 2]" 1
1234 1 65 ILE HG12 1 74 TYR QB . . 4.740 4.225 3.932 4.525 . 0 0 "[ . 1 . 2]" 1
1235 1 65 ILE HG13 1 66 GLU H . . 5.060 3.984 3.646 4.403 . 0 0 "[ . 1 . 2]" 1
1236 1 65 ILE HG13 1 67 THR H . . 6.000 5.472 5.248 5.759 . 0 0 "[ . 1 . 2]" 1
1237 1 65 ILE MG 1 66 GLU H . . 4.790 4.326 4.258 4.348 . 0 0 "[ . 1 . 2]" 1
1238 1 65 ILE MG 1 66 GLU HA . . 5.840 5.554 5.527 5.567 . 0 0 "[ . 1 . 2]" 1
1239 1 65 ILE MG 1 67 THR H . . 5.640 4.984 4.768 5.228 . 0 0 "[ . 1 . 2]" 1
1240 1 65 ILE MG 1 70 ALA H . . 5.800 5.566 5.199 5.808 0.008 18 0 "[ . 1 . 2]" 1
1241 1 65 ILE MG 1 70 ALA MB . . 3.770 2.937 2.357 3.245 . 0 0 "[ . 1 . 2]" 1
1242 1 65 ILE MG 1 71 ALA H . . 5.170 4.907 4.724 5.046 . 0 0 "[ . 1 . 2]" 1
1243 1 65 ILE MG 1 71 ALA HA . . 3.700 3.691 3.499 3.745 0.045 19 0 "[ . 1 . 2]" 1
1244 1 65 ILE MG 1 74 TYR H . . 4.170 4.102 4.050 4.176 0.006 16 0 "[ . 1 . 2]" 1
1245 1 65 ILE MG 1 74 TYR HB2 . . 2.850 1.985 1.936 2.115 . 0 0 "[ . 1 . 2]" 1
1246 1 65 ILE MG 1 74 TYR QB . . 2.280 1.950 1.907 2.059 . 0 0 "[ . 1 . 2]" 1
1247 1 65 ILE MG 1 74 TYR HB3 . . 2.850 2.871 2.833 2.887 0.037 9 0 "[ . 1 . 2]" 1
1248 1 65 ILE MG 1 74 TYR HD2 . . 3.690 3.426 3.099 3.713 0.023 15 0 "[ . 1 . 2]" 1
1249 1 65 ILE MG 1 74 TYR HE1 . . 6.000 4.014 3.794 4.298 . 0 0 "[ . 1 . 2]" 1
1250 1 66 GLU H 1 66 GLU HB2 . . 3.880 2.632 2.546 2.727 . 0 0 "[ . 1 . 2]" 1
1251 1 66 GLU H 1 66 GLU HB3 . . 3.970 3.743 3.687 3.802 . 0 0 "[ . 1 . 2]" 1
1252 1 66 GLU H 1 66 GLU QG . . 4.240 2.686 2.362 3.124 . 0 0 "[ . 1 . 2]" 1
1253 1 66 GLU H 1 67 THR H . . 3.580 2.190 1.873 2.506 . 0 0 "[ . 1 . 2]" 1
1254 1 66 GLU H 1 67 THR HA . . 5.930 4.674 4.514 4.809 . 0 0 "[ . 1 . 2]" 1
1255 1 66 GLU H 1 67 THR MG . . 4.880 2.826 2.670 3.023 . 0 0 "[ . 1 . 2]" 1
1256 1 66 GLU H 1 70 ALA MB . . 3.720 2.752 2.577 2.895 . 0 0 "[ . 1 . 2]" 1
1257 1 66 GLU HA 1 66 GLU QG . . 3.730 2.526 2.262 2.909 . 0 0 "[ . 1 . 2]" 1
1258 1 66 GLU HA 1 67 THR HA . . 5.900 4.576 4.459 4.677 . 0 0 "[ . 1 . 2]" 1
1259 1 66 GLU HB2 1 67 THR H . . 4.590 3.639 3.251 4.013 . 0 0 "[ . 1 . 2]" 1
1260 1 66 GLU HB2 1 67 THR HA . . 5.520 4.567 4.354 4.852 . 0 0 "[ . 1 . 2]" 1
1261 1 66 GLU HB2 1 70 ALA MB . . 4.900 4.752 4.632 4.842 . 0 0 "[ . 1 . 2]" 1
1262 1 66 GLU HB3 1 67 THR H . . 4.600 4.342 4.120 4.505 . 0 0 "[ . 1 . 2]" 1
1263 1 66 GLU HB3 1 67 THR HA . . 5.880 4.790 4.565 4.963 . 0 0 "[ . 1 . 2]" 1
1264 1 66 GLU HB3 1 67 THR MG . . 5.160 4.342 4.181 4.512 . 0 0 "[ . 1 . 2]" 1
1265 1 66 GLU QG 1 67 THR H . . 5.490 4.301 4.118 4.502 . 0 0 "[ . 1 . 2]" 1
1266 1 67 THR H 1 67 THR MG . . 3.990 2.187 2.017 2.458 . 0 0 "[ . 1 . 2]" 1
1267 1 67 THR H 1 68 VAL H . . 5.630 4.544 4.481 4.596 . 0 0 "[ . 1 . 2]" 1
1268 1 67 THR H 1 70 ALA H . . 4.610 3.811 3.713 3.932 . 0 0 "[ . 1 . 2]" 1
1269 1 67 THR H 1 70 ALA HA . . 5.090 4.886 4.750 5.077 . 0 0 "[ . 1 . 2]" 1
1270 1 67 THR H 1 70 ALA MB . . 3.760 2.010 1.917 2.211 . 0 0 "[ . 1 . 2]" 1
1271 1 67 THR HA 1 67 THR MG . . 3.280 2.626 2.586 2.673 . 0 0 "[ . 1 . 2]" 1
1272 1 67 THR HA 1 68 VAL H . . 3.420 2.375 2.343 2.404 . 0 0 "[ . 1 . 2]" 1
1273 1 67 THR HA 1 68 VAL HA . . 4.780 4.297 4.296 4.298 . 0 0 "[ . 1 . 2]" 1
1274 1 67 THR HA 1 68 VAL HB . . 5.150 5.041 5.012 5.078 . 0 0 "[ . 1 . 2]" 1
1275 1 67 THR HA 1 68 VAL MG1 . . 6.000 5.564 5.541 5.588 . 0 0 "[ . 1 . 2]" 1
1276 1 67 THR HA 1 68 VAL MG2 . . 4.710 3.707 3.659 3.728 . 0 0 "[ . 1 . 2]" 1
1277 1 67 THR HA 1 69 GLY H . . 4.760 4.513 4.369 4.651 . 0 0 "[ . 1 . 2]" 1
1278 1 67 THR HA 1 70 ALA H . . 5.650 4.636 4.601 4.684 . 0 0 "[ . 1 . 2]" 1
1279 1 67 THR HA 1 70 ALA MB . . 4.670 4.138 4.045 4.257 . 0 0 "[ . 1 . 2]" 1
1280 1 67 THR HB 1 68 VAL H . . 3.530 2.686 2.633 2.747 . 0 0 "[ . 1 . 2]" 1
1281 1 67 THR HB 1 68 VAL HA . . 6.000 5.173 5.134 5.227 . 0 0 "[ . 1 . 2]" 1
1282 1 67 THR HB 1 68 VAL HB . . 5.960 4.620 4.560 4.690 . 0 0 "[ . 1 . 2]" 1
1283 1 67 THR HB 1 68 VAL MG1 . . 5.770 5.709 5.664 5.765 . 0 0 "[ . 1 . 2]" 1
1284 1 67 THR HB 1 68 VAL MG2 . . 5.010 3.995 3.911 4.055 . 0 0 "[ . 1 . 2]" 1
1285 1 67 THR HB 1 69 GLY H . . 4.350 3.639 3.449 3.770 . 0 0 "[ . 1 . 2]" 1
1286 1 67 THR HB 1 70 ALA H . . 5.830 3.780 3.734 3.813 . 0 0 "[ . 1 . 2]" 1
1287 1 67 THR HB 1 70 ALA MB . . 5.220 3.720 3.617 3.875 . 0 0 "[ . 1 . 2]" 1
1288 1 67 THR MG 1 68 VAL H . . 4.070 4.054 4.030 4.086 0.016 8 0 "[ . 1 . 2]" 1
1289 1 67 THR MG 1 69 GLY H . . 4.920 4.495 4.434 4.582 . 0 0 "[ . 1 . 2]" 1
1290 1 67 THR MG 1 70 ALA H . . 5.160 3.413 3.316 3.513 . 0 0 "[ . 1 . 2]" 1
1291 1 67 THR MG 1 70 ALA MB . . 3.650 2.011 1.861 2.245 . 0 0 "[ . 1 . 2]" 1
1292 1 68 VAL H 1 68 VAL HB . . 3.540 2.692 2.650 2.719 . 0 0 "[ . 1 . 2]" 1
1293 1 68 VAL H 1 68 VAL MG2 . . 3.890 1.917 1.891 1.971 . 0 0 "[ . 1 . 2]" 1
1294 1 68 VAL H 1 69 GLY H . . 4.060 2.912 2.864 2.963 . 0 0 "[ . 1 . 2]" 1
1295 1 68 VAL H 1 69 GLY HA2 . . 6.000 5.468 5.441 5.494 . 0 0 "[ . 1 . 2]" 1
1296 1 68 VAL H 1 69 GLY HA3 . . 6.000 5.227 5.184 5.272 . 0 0 "[ . 1 . 2]" 1
1297 1 68 VAL H 1 70 ALA H . . 5.420 4.285 4.212 4.387 . 0 0 "[ . 1 . 2]" 1
1298 1 68 VAL H 1 70 ALA MB . . 5.180 4.852 4.740 4.970 . 0 0 "[ . 1 . 2]" 1
1299 1 68 VAL H 1 71 ALA MB . . 5.520 4.602 4.534 4.665 . 0 0 "[ . 1 . 2]" 1
1300 1 68 VAL HA 1 68 VAL MG2 . . 3.750 2.392 2.383 2.411 . 0 0 "[ . 1 . 2]" 1
1301 1 68 VAL HA 1 69 GLY QA . . 4.900 4.393 4.385 4.404 . 0 0 "[ . 1 . 2]" 1
1302 1 68 VAL HA 1 70 ALA H . . 5.920 4.947 4.909 4.996 . 0 0 "[ . 1 . 2]" 1
1303 1 68 VAL HA 1 71 ALA H . . 4.430 4.095 4.018 4.167 . 0 0 "[ . 1 . 2]" 1
1304 1 68 VAL HA 1 71 ALA MB . . 4.990 3.152 2.988 3.302 . 0 0 "[ . 1 . 2]" 1
1305 1 68 VAL HB 1 69 GLY H . . 4.120 2.440 2.326 2.559 . 0 0 "[ . 1 . 2]" 1
1306 1 68 VAL MG1 1 69 GLY H . . 4.840 3.446 3.342 3.585 . 0 0 "[ . 1 . 2]" 1
1307 1 68 VAL MG1 1 69 GLY QA . . 5.000 3.416 3.280 3.556 . 0 0 "[ . 1 . 2]" 1
1308 1 68 VAL MG1 1 72 VAL H . . 5.490 4.507 4.256 4.704 . 0 0 "[ . 1 . 2]" 1
1309 1 68 VAL MG2 1 69 GLY H . . 5.440 3.681 3.636 3.723 . 0 0 "[ . 1 . 2]" 1
1310 1 69 GLY H 1 70 ALA H . . 4.290 2.495 2.470 2.559 . 0 0 "[ . 1 . 2]" 1
1311 1 69 GLY H 1 70 ALA MB . . 5.470 4.140 4.111 4.189 . 0 0 "[ . 1 . 2]" 1
1312 1 69 GLY H 1 71 ALA H . . 5.680 3.782 3.735 3.818 . 0 0 "[ . 1 . 2]" 1
1313 1 69 GLY H 1 71 ALA MB . . 6.000 4.636 4.524 4.735 . 0 0 "[ . 1 . 2]" 1
1314 1 69 GLY H 1 72 VAL H . . 5.520 5.120 5.042 5.175 . 0 0 "[ . 1 . 2]" 1
1315 1 69 GLY H 1 72 VAL MG1 . . 4.560 4.229 4.177 4.247 . 0 0 "[ . 1 . 2]" 1
1316 1 69 GLY QA 1 71 ALA H . . 5.760 3.479 3.464 3.497 . 0 0 "[ . 1 . 2]" 1
1317 1 69 GLY QA 1 71 ALA MB . . 5.810 4.350 4.319 4.397 . 0 0 "[ . 1 . 2]" 1
1318 1 69 GLY QA 1 72 VAL H . . 4.680 3.635 3.601 3.669 . 0 0 "[ . 1 . 2]" 1
1319 1 69 GLY QA 1 72 VAL HB . . 4.440 4.483 4.475 4.493 0.053 11 0 "[ . 1 . 2]" 1
1320 1 69 GLY QA 1 72 VAL MG1 . . 3.870 2.113 2.089 2.141 . 0 0 "[ . 1 . 2]" 1
1321 1 69 GLY QA 1 73 ASP H . . 4.230 3.418 3.358 3.468 . 0 0 "[ . 1 . 2]" 1
1322 1 69 GLY HA2 1 70 ALA MB . . 5.560 5.026 5.021 5.037 . 0 0 "[ . 1 . 2]" 1
1323 1 69 GLY HA2 1 73 ASP H . . 4.810 3.524 3.460 3.577 . 0 0 "[ . 1 . 2]" 1
1324 1 69 GLY HA3 1 70 ALA MB . . 5.560 4.366 4.331 4.393 . 0 0 "[ . 1 . 2]" 1
1325 1 69 GLY HA3 1 73 ASP H . . 4.810 4.600 4.538 4.661 . 0 0 "[ . 1 . 2]" 1
1326 1 70 ALA H 1 70 ALA MB . . 3.150 2.141 2.096 2.207 . 0 0 "[ . 1 . 2]" 1
1327 1 70 ALA H 1 72 VAL H . . 6.000 4.926 4.915 4.939 . 0 0 "[ . 1 . 2]" 1
1328 1 70 ALA H 1 73 ASP H . . 5.630 4.911 4.896 4.925 . 0 0 "[ . 1 . 2]" 1
1329 1 70 ALA MB 1 71 ALA H . . 4.330 3.030 3.007 3.048 . 0 0 "[ . 1 . 2]" 1
1330 1 70 ALA MB 1 72 VAL H . . 5.540 5.237 5.233 5.240 . 0 0 "[ . 1 . 2]" 1
1331 1 70 ALA MB 1 73 ASP H . . 5.630 5.126 5.098 5.157 . 0 0 "[ . 1 . 2]" 1
1332 1 70 ALA MB 1 74 TYR H . . 5.770 5.183 5.104 5.243 . 0 0 "[ . 1 . 2]" 1
1333 1 71 ALA H 1 72 VAL H . . 3.860 2.679 2.671 2.685 . 0 0 "[ . 1 . 2]" 1
1334 1 71 ALA H 1 72 VAL HB . . 5.350 5.171 5.145 5.191 . 0 0 "[ . 1 . 2]" 1
1335 1 71 ALA H 1 72 VAL MG1 . . 4.720 3.394 3.378 3.425 . 0 0 "[ . 1 . 2]" 1
1336 1 71 ALA H 1 73 ASP H . . 5.160 3.628 3.605 3.649 . 0 0 "[ . 1 . 2]" 1
1337 1 71 ALA H 1 73 ASP HB2 . . 5.850 5.242 5.037 5.350 . 0 0 "[ . 1 . 2]" 1
1338 1 71 ALA HA 1 74 TYR QB . . 4.550 2.982 2.915 3.035 . 0 0 "[ . 1 . 2]" 1
1339 1 71 ALA HA 1 74 TYR HD2 . . 4.520 4.515 4.428 4.548 0.028 1 0 "[ . 1 . 2]" 1
1340 1 71 ALA MB 1 72 VAL H . . 4.230 2.132 2.000 2.252 . 0 0 "[ . 1 . 2]" 1
1341 1 71 ALA MB 1 74 TYR H . . 5.980 4.465 4.440 4.481 . 0 0 "[ . 1 . 2]" 1
1342 1 71 ALA MB 1 74 TYR QB . . 5.660 4.224 4.196 4.268 . 0 0 "[ . 1 . 2]" 1
1343 1 72 VAL H 1 72 VAL HB . . 3.610 2.581 2.560 2.597 . 0 0 "[ . 1 . 2]" 1
1344 1 72 VAL H 1 72 VAL MG1 . . 3.270 1.955 1.925 2.009 . 0 0 "[ . 1 . 2]" 1
1345 1 72 VAL H 1 73 ASP H . . 3.620 2.768 2.754 2.780 . 0 0 "[ . 1 . 2]" 1
1346 1 72 VAL H 1 75 ILE MD . . 5.970 5.919 5.874 5.950 . 0 0 "[ . 1 . 2]" 1
1347 1 72 VAL HA 1 72 VAL MG1 . . 3.500 3.196 3.194 3.197 . 0 0 "[ . 1 . 2]" 1
1348 1 72 VAL HA 1 74 TYR H . . 6.000 3.890 3.846 3.945 . 0 0 "[ . 1 . 2]" 1
1349 1 72 VAL HA 1 75 ILE H . . 6.000 3.452 3.417 3.500 . 0 0 "[ . 1 . 2]" 1
1350 1 72 VAL HA 1 75 ILE HB . . 4.510 2.799 2.698 2.859 . 0 0 "[ . 1 . 2]" 1
1351 1 72 VAL HA 1 75 ILE QG . . 4.410 3.294 3.196 3.361 . 0 0 "[ . 1 . 2]" 1
1352 1 72 VAL HA 1 76 VAL H . . 6.000 3.436 3.364 3.530 . 0 0 "[ . 1 . 2]" 1
1353 1 72 VAL HB 1 73 ASP H . . 4.580 3.946 3.924 3.958 . 0 0 "[ . 1 . 2]" 1
1354 1 72 VAL QG 1 73 ASP H . . 3.760 2.025 1.953 2.051 . 0 0 "[ . 1 . 2]" 1
1355 1 72 VAL QG 1 73 ASP HA . . 4.640 3.029 3.000 3.083 . 0 0 "[ . 1 . 2]" 1
1356 1 72 VAL QG 1 73 ASP HB2 . . 4.850 3.088 3.017 3.154 . 0 0 "[ . 1 . 2]" 1
1357 1 72 VAL QG 1 75 ILE HB . . 3.800 3.808 3.771 3.824 0.024 15 0 "[ . 1 . 2]" 1
1358 1 72 VAL QG 1 76 VAL H . . 5.350 3.513 3.476 3.600 . 0 0 "[ . 1 . 2]" 1
1359 1 72 VAL QG 1 76 VAL HA . . 4.820 4.557 4.474 4.672 . 0 0 "[ . 1 . 2]" 1
1360 1 72 VAL QG 1 77 SER H . . 5.260 4.698 4.619 4.818 . 0 0 "[ . 1 . 2]" 1
1361 1 72 VAL MG1 1 73 ASP H . . 3.850 2.038 1.963 2.065 . 0 0 "[ . 1 . 2]" 1
1362 1 72 VAL MG1 1 74 TYR H . . 5.100 4.114 4.069 4.140 . 0 0 "[ . 1 . 2]" 1
1363 1 73 ASP H 1 73 ASP HB2 . . 3.560 2.515 2.367 2.611 . 0 0 "[ . 1 . 2]" 1
1364 1 73 ASP H 1 73 ASP HB3 . . 3.570 2.550 2.455 2.709 . 0 0 "[ . 1 . 2]" 1
1365 1 73 ASP H 1 74 TYR H . . 3.680 2.628 2.584 2.651 . 0 0 "[ . 1 . 2]" 1
1366 1 73 ASP H 1 74 TYR HA . . 6.000 5.250 5.213 5.274 . 0 0 "[ . 1 . 2]" 1
1367 1 73 ASP H 1 74 TYR HB2 . . 5.420 4.996 4.933 5.064 . 0 0 "[ . 1 . 2]" 1
1368 1 73 ASP H 1 74 TYR QB . . 4.630 4.429 4.385 4.462 . 0 0 "[ . 1 . 2]" 1
1369 1 73 ASP H 1 74 TYR HB3 . . 5.420 4.947 4.887 4.986 . 0 0 "[ . 1 . 2]" 1
1370 1 73 ASP H 1 75 ILE H . . 4.550 4.468 4.394 4.514 . 0 0 "[ . 1 . 2]" 1
1371 1 73 ASP H 1 76 VAL HB . . 5.140 5.081 5.025 5.142 0.002 15 0 "[ . 1 . 2]" 1
1372 1 73 ASP H 1 77 SER H . . 5.670 5.646 5.623 5.674 0.004 14 0 "[ . 1 . 2]" 1
1373 1 73 ASP HA 1 75 ILE H . . 5.200 5.039 5.002 5.070 . 0 0 "[ . 1 . 2]" 1
1374 1 73 ASP HA 1 76 VAL H . . 4.190 4.102 4.050 4.132 . 0 0 "[ . 1 . 2]" 1
1375 1 73 ASP HA 1 76 VAL HA . . 6.000 6.033 6.011 6.048 0.048 19 0 "[ . 1 . 2]" 1
1376 1 73 ASP HA 1 76 VAL HB . . 3.970 3.189 3.164 3.205 . 0 0 "[ . 1 . 2]" 1
1377 1 73 ASP HA 1 76 VAL MG2 . . 4.170 3.921 3.879 3.966 . 0 0 "[ . 1 . 2]" 1
1378 1 73 ASP HA 1 77 SER H . . 5.150 3.583 3.569 3.618 . 0 0 "[ . 1 . 2]" 1
1379 1 73 ASP HB2 1 77 SER QB . . 6.000 5.454 5.335 5.977 . 0 0 "[ . 1 . 2]" 1
1380 1 73 ASP HB3 1 74 TYR H . . 4.100 3.003 2.954 3.030 . 0 0 "[ . 1 . 2]" 1
1381 1 73 ASP HB3 1 75 ILE H . . 5.540 5.438 5.375 5.477 . 0 0 "[ . 1 . 2]" 1
1382 1 73 ASP HB3 1 77 SER H . . 6.000 5.760 5.658 5.812 . 0 0 "[ . 1 . 2]" 1
1383 1 74 TYR H 1 74 TYR HB2 . . 3.650 2.710 2.697 2.753 . 0 0 "[ . 1 . 2]" 1
1384 1 74 TYR H 1 74 TYR HB3 . . 3.650 2.520 2.481 2.532 . 0 0 "[ . 1 . 2]" 1
1385 1 74 TYR H 1 74 TYR HD1 . . 5.250 4.791 4.765 4.833 . 0 0 "[ . 1 . 2]" 1
1386 1 74 TYR H 1 74 TYR HD2 . . 4.760 4.731 4.675 4.760 . 6 0 "[ . 1 . 2]" 1
1387 1 74 TYR H 1 77 SER H . . 5.000 4.566 4.551 4.576 . 0 0 "[ . 1 . 2]" 1
1388 1 74 TYR H 1 77 SER QB . . 4.950 4.711 4.675 4.841 . 0 0 "[ . 1 . 2]" 1
1389 1 74 TYR HA 1 74 TYR HD1 . . 4.350 2.533 2.441 2.633 . 0 0 "[ . 1 . 2]" 1
1390 1 74 TYR HA 1 74 TYR HD2 . . 4.610 4.375 4.307 4.422 . 0 0 "[ . 1 . 2]" 1
1391 1 74 TYR HA 1 74 TYR HE1 . . 4.750 4.688 4.635 4.737 . 0 0 "[ . 1 . 2]" 1
1392 1 74 TYR HA 1 75 ILE HA . . 5.950 4.801 4.798 4.806 . 0 0 "[ . 1 . 2]" 1
1393 1 74 TYR HA 1 75 ILE MD . . 5.530 5.128 4.998 5.273 . 0 0 "[ . 1 . 2]" 1
1394 1 74 TYR HA 1 76 VAL H . . 5.050 4.487 4.409 4.572 . 0 0 "[ . 1 . 2]" 1
1395 1 74 TYR HA 1 78 ASN H . . 4.070 3.907 3.864 3.943 . 0 0 "[ . 1 . 2]" 1
1396 1 74 TYR HA 1 78 ASN QB . . 4.290 3.903 3.829 3.990 . 0 0 "[ . 1 . 2]" 1
1397 1 74 TYR QB 1 74 TYR HD2 . . 3.190 2.283 2.272 2.299 . 0 0 "[ . 1 . 2]" 1
1398 1 74 TYR QB 1 76 VAL H . . 5.760 4.614 4.567 4.649 . 0 0 "[ . 1 . 2]" 1
1399 1 74 TYR HB2 1 74 TYR HD2 . . 3.650 3.513 3.477 3.550 . 0 0 "[ . 1 . 2]" 1
1400 1 74 TYR HB2 1 75 ILE H . . 3.850 3.711 3.690 3.756 . 0 0 "[ . 1 . 2]" 1
1401 1 74 TYR HB3 1 74 TYR HD2 . . 3.650 2.314 2.303 2.329 . 0 0 "[ . 1 . 2]" 1
1402 1 74 TYR HB3 1 75 ILE H . . 3.850 2.321 2.295 2.366 . 0 0 "[ . 1 . 2]" 1
1403 1 74 TYR HD1 1 77 SER QB . . 4.520 4.481 4.388 4.526 0.006 15 0 "[ . 1 . 2]" 1
1404 1 74 TYR HD1 1 78 ASN QB . . 5.810 4.326 4.100 4.504 . 0 0 "[ . 1 . 2]" 1
1405 1 74 TYR HD2 1 75 ILE H . . 3.780 3.479 3.412 3.543 . 0 0 "[ . 1 . 2]" 1
1406 1 74 TYR HD2 1 75 ILE HA . . 4.080 3.676 3.533 3.815 . 0 0 "[ . 1 . 2]" 1
1407 1 74 TYR HD2 1 75 ILE MD . . 4.180 2.156 2.049 2.334 . 0 0 "[ . 1 . 2]" 1
1408 1 74 TYR HD2 1 75 ILE QG . . 4.210 3.432 3.340 3.535 . 0 0 "[ . 1 . 2]" 1
1409 1 74 TYR HD2 1 75 ILE MG . . 5.150 4.926 4.834 4.983 . 0 0 "[ . 1 . 2]" 1
1410 1 74 TYR HD2 1 78 ASN QB . . 5.460 4.423 4.266 4.532 . 0 0 "[ . 1 . 2]" 1
1411 1 74 TYR HE1 1 78 ASN QB . . 5.670 4.388 4.155 4.479 . 0 0 "[ . 1 . 2]" 1
1412 1 74 TYR HE2 1 75 ILE H . . 6.000 5.742 5.673 5.781 . 0 0 "[ . 1 . 2]" 1
1413 1 74 TYR HE2 1 75 ILE HA . . 5.320 4.962 4.865 5.073 . 0 0 "[ . 1 . 2]" 1
1414 1 74 TYR HE2 1 75 ILE MD . . 4.850 3.528 3.417 3.606 . 0 0 "[ . 1 . 2]" 1
1415 1 74 TYR HE2 1 75 ILE MG . . 6.000 5.967 5.818 6.010 0.010 1 0 "[ . 1 . 2]" 1
1416 1 74 TYR HE2 1 78 ASN QB . . 5.660 4.524 4.342 4.636 . 0 0 "[ . 1 . 2]" 1
1417 1 75 ILE H 1 75 ILE HB . . 3.690 2.636 2.610 2.662 . 0 0 "[ . 1 . 2]" 1
1418 1 75 ILE H 1 75 ILE MD . . 4.400 2.974 2.861 3.095 . 0 0 "[ . 1 . 2]" 1
1419 1 75 ILE H 1 75 ILE HG12 . . 3.820 1.962 1.936 1.993 . 0 0 "[ . 1 . 2]" 1
1420 1 75 ILE H 1 75 ILE HG13 . . 3.820 3.518 3.492 3.535 . 0 0 "[ . 1 . 2]" 1
1421 1 75 ILE H 1 75 ILE MG . . 3.850 3.762 3.759 3.763 . 0 0 "[ . 1 . 2]" 1
1422 1 75 ILE H 1 76 VAL H . . 3.660 2.752 2.729 2.773 . 0 0 "[ . 1 . 2]" 1
1423 1 75 ILE H 1 76 VAL MG2 . . 5.330 4.248 4.224 4.282 . 0 0 "[ . 1 . 2]" 1
1424 1 75 ILE H 1 77 SER H . . 5.330 4.606 4.582 4.628 . 0 0 "[ . 1 . 2]" 1
1425 1 75 ILE H 1 78 ASN H . . 4.790 4.715 4.700 4.728 . 0 0 "[ . 1 . 2]" 1
1426 1 75 ILE HA 1 75 ILE MD . . 4.650 2.010 1.960 2.099 . 0 0 "[ . 1 . 2]" 1
1427 1 75 ILE HA 1 76 VAL HB . . 5.980 5.864 5.855 5.872 . 0 0 "[ . 1 . 2]" 1
1428 1 75 ILE HA 1 77 SER H . . 5.250 5.160 5.144 5.178 . 0 0 "[ . 1 . 2]" 1
1429 1 75 ILE HA 1 78 ASN QB . . 4.900 2.850 2.772 2.961 . 0 0 "[ . 1 . 2]" 1
1430 1 75 ILE HA 1 79 SER H . . 4.940 4.029 3.966 4.105 . 0 0 "[ . 1 . 2]" 1
1431 1 75 ILE HB 1 76 VAL H . . 3.790 2.572 2.506 2.626 . 0 0 "[ . 1 . 2]" 1
1432 1 75 ILE MD 1 76 VAL H . . 5.290 4.572 4.519 4.618 . 0 0 "[ . 1 . 2]" 1
1433 1 75 ILE QG 1 76 VAL H . . 4.890 3.884 3.847 3.928 . 0 0 "[ . 1 . 2]" 1
1434 1 75 ILE MG 1 76 VAL H . . 3.970 3.569 3.505 3.626 . 0 0 "[ . 1 . 2]" 1
1435 1 75 ILE MG 1 76 VAL MG1 . . 5.170 5.072 5.002 5.112 . 0 0 "[ . 1 . 2]" 1
1436 1 75 ILE MG 1 76 VAL MG2 . . 4.650 3.599 3.527 3.660 . 0 0 "[ . 1 . 2]" 1
1437 1 76 VAL H 1 76 VAL HB . . 3.680 2.479 2.453 2.500 . 0 0 "[ . 1 . 2]" 1
1438 1 76 VAL H 1 76 VAL MG1 . . 4.320 3.760 3.756 3.762 . 0 0 "[ . 1 . 2]" 1
1439 1 76 VAL H 1 76 VAL MG2 . . 3.430 2.174 2.120 2.241 . 0 0 "[ . 1 . 2]" 1
1440 1 76 VAL H 1 77 SER H . . 3.630 2.784 2.742 2.825 . 0 0 "[ . 1 . 2]" 1
1441 1 76 VAL H 1 77 SER HA . . 5.850 5.333 5.299 5.368 . 0 0 "[ . 1 . 2]" 1
1442 1 76 VAL H 1 77 SER QB . . 4.800 4.457 4.389 4.627 . 0 0 "[ . 1 . 2]" 1
1443 1 76 VAL H 1 78 ASN QB . . 5.810 4.716 4.673 4.750 . 0 0 "[ . 1 . 2]" 1
1444 1 76 VAL H 1 79 SER H . . 4.930 4.387 4.320 4.462 . 0 0 "[ . 1 . 2]" 1
1445 1 76 VAL HA 1 78 ASN H . . 5.420 4.060 4.052 4.070 . 0 0 "[ . 1 . 2]" 1
1446 1 76 VAL HA 1 79 SER H . . 4.600 3.216 3.184 3.282 . 0 0 "[ . 1 . 2]" 1
1447 1 76 VAL HB 1 77 SER H . . 3.770 2.193 2.180 2.219 . 0 0 "[ . 1 . 2]" 1
1448 1 76 VAL HB 1 77 SER QB . . 5.600 3.924 3.844 4.421 . 0 0 "[ . 1 . 2]" 1
1449 1 76 VAL MG1 1 77 SER H . . 4.820 2.963 2.924 3.000 . 0 0 "[ . 1 . 2]" 1
1450 1 76 VAL MG1 1 77 SER HA . . 4.530 3.193 3.117 3.291 . 0 0 "[ . 1 . 2]" 1
1451 1 76 VAL MG1 1 77 SER QB . . 6.000 3.955 3.873 4.434 . 0 0 "[ . 1 . 2]" 1
1452 1 76 VAL MG2 1 77 SER H . . 4.770 3.710 3.693 3.734 . 0 0 "[ . 1 . 2]" 1
1453 1 76 VAL MG2 1 77 SER QB . . 6.000 5.064 5.008 5.422 . 0 0 "[ . 1 . 2]" 1
1454 1 77 SER H 1 77 SER QB . . 3.260 2.269 2.226 2.474 . 0 0 "[ . 1 . 2]" 1
1455 1 77 SER H 1 78 ASN HA . . 5.470 5.365 5.359 5.372 . 0 0 "[ . 1 . 2]" 1
1456 1 77 SER H 1 78 ASN QB . . 5.060 4.572 4.561 4.583 . 0 0 "[ . 1 . 2]" 1
1457 1 77 SER H 1 79 SER H . . 4.350 4.180 4.127 4.278 . 0 0 "[ . 1 . 2]" 1
1458 1 77 SER HA 1 79 SER H . . 4.590 4.475 4.400 4.557 . 0 0 "[ . 1 . 2]" 1
1459 1 77 SER QB 1 78 ASN HA . . 5.730 4.178 3.989 4.292 . 0 0 "[ . 1 . 2]" 1
1460 1 77 SER QB 1 78 ASN QB . . 5.810 3.854 3.785 3.909 . 0 0 "[ . 1 . 2]" 1
1461 1 77 SER QB 1 79 SER H . . 4.890 4.793 4.741 4.872 . 0 0 "[ . 1 . 2]" 1
1462 1 78 ASN H 1 78 ASN HB2 . . 4.160 2.607 2.512 2.778 . 0 0 "[ . 1 . 2]" 1
1463 1 78 ASN H 1 78 ASN QB . . 3.530 2.304 2.282 2.315 . 0 0 "[ . 1 . 2]" 1
1464 1 78 ASN H 1 78 ASN HB3 . . 4.160 2.578 2.426 2.697 . 0 0 "[ . 1 . 2]" 1
1465 1 78 ASN H 1 79 SER H . . 3.940 2.347 2.302 2.417 . 0 0 "[ . 1 . 2]" 1
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