NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
388575 |
1n6z   |
5568 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1n6z
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 880
_Distance_constraint_stats_list.Viol_count 1133
_Distance_constraint_stats_list.Viol_total 333.519
_Distance_constraint_stats_list.Viol_max 0.318
_Distance_constraint_stats_list.Viol_rms 0.0163
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0294
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.355 0.155 10 0 "[ . 1]"
1 5 ASN 0.040 0.040 6 0 "[ . 1]"
1 6 THR 0.736 0.053 9 0 "[ . 1]"
1 7 TYR 0.850 0.116 7 0 "[ . 1]"
1 8 ARG 0.846 0.127 5 0 "[ . 1]"
1 9 MET 0.744 0.112 10 0 "[ . 1]"
1 10 LEU 0.022 0.014 4 0 "[ . 1]"
1 11 VAL 0.840 0.127 7 0 "[ . 1]"
1 12 LEU 2.038 0.136 9 0 "[ . 1]"
1 13 LEU 0.583 0.048 7 0 "[ . 1]"
1 14 GLU 0.502 0.048 7 0 "[ . 1]"
1 16 ASP 0.000 0.000 . 0 "[ . 1]"
1 17 THR 0.131 0.045 1 0 "[ . 1]"
1 18 LYS 0.664 0.161 4 0 "[ . 1]"
1 19 ILE 0.113 0.021 1 0 "[ . 1]"
1 24 GLU 0.000 0.000 . 0 "[ . 1]"
1 27 LEU 0.466 0.107 8 0 "[ . 1]"
1 30 LYS 0.002 0.002 1 0 "[ . 1]"
1 34 MET 0.111 0.048 7 0 "[ . 1]"
1 35 HIS 0.067 0.026 4 0 "[ . 1]"
1 36 GLU 0.049 0.032 8 0 "[ . 1]"
1 37 PHE 0.323 0.127 7 0 "[ . 1]"
1 38 VAL 0.560 0.121 10 0 "[ . 1]"
1 39 ASP 0.517 0.121 10 0 "[ . 1]"
1 40 GLU 0.608 0.066 7 0 "[ . 1]"
1 41 LEU 0.466 0.066 7 0 "[ . 1]"
1 42 ILE 0.996 0.137 10 0 "[ . 1]"
1 43 LEU 1.785 0.127 5 0 "[ . 1]"
1 44 PRO 0.530 0.070 10 0 "[ . 1]"
1 45 PHE 1.150 0.155 10 0 "[ . 1]"
1 46 ASN 0.065 0.053 5 0 "[ . 1]"
1 47 VAL 0.626 0.051 9 0 "[ . 1]"
1 48 ASP 0.188 0.051 9 0 "[ . 1]"
1 49 GLU 0.227 0.053 5 0 "[ . 1]"
1 50 LEU 0.486 0.064 5 0 "[ . 1]"
1 51 ASP 0.284 0.052 6 0 "[ . 1]"
1 52 GLU 0.120 0.019 5 0 "[ . 1]"
1 53 LEU 0.000 0.000 . 0 "[ . 1]"
1 54 ASN 0.756 0.064 5 0 "[ . 1]"
1 55 THR 0.827 0.058 8 0 "[ . 1]"
1 56 TRP 0.274 0.031 8 0 "[ . 1]"
1 57 PHE 0.000 0.000 . 0 "[ . 1]"
1 58 ASP 0.466 0.049 3 0 "[ . 1]"
1 59 LYS 1.052 0.063 10 0 "[ . 1]"
1 60 PHE 0.781 0.058 8 0 "[ . 1]"
1 61 ASP 0.137 0.026 1 0 "[ . 1]"
1 62 ALA 0.895 0.070 10 0 "[ . 1]"
1 63 GLU 0.712 0.063 10 0 "[ . 1]"
1 64 ILE 0.401 0.045 9 0 "[ . 1]"
1 65 CYS 0.150 0.034 10 0 "[ . 1]"
1 66 ILE 0.804 0.070 10 0 "[ . 1]"
1 67 PRO 0.358 0.034 10 0 "[ . 1]"
1 68 ASN 0.244 0.027 3 0 "[ . 1]"
1 69 GLU 0.142 0.012 10 0 "[ . 1]"
1 71 HIS 0.000 0.000 . 0 "[ . 1]"
1 72 ILE 0.568 0.065 5 0 "[ . 1]"
1 73 LYS 5.695 0.318 6 0 "[ . 1]"
1 74 TYR 2.737 0.318 6 0 "[ . 1]"
1 75 GLU 0.812 0.109 4 0 "[ . 1]"
1 76 ILE 0.470 0.146 9 0 "[ . 1]"
1 77 SER 0.790 0.146 9 0 "[ . 1]"
1 78 SER 0.012 0.008 2 0 "[ . 1]"
1 79 ASP 0.141 0.038 5 0 "[ . 1]"
1 80 GLY 0.000 0.000 . 0 "[ . 1]"
1 81 LEU 0.470 0.038 5 0 "[ . 1]"
1 82 ILE 0.969 0.094 6 0 "[ . 1]"
1 83 VAL 0.860 0.153 2 0 "[ . 1]"
1 84 LEU 0.249 0.057 3 0 "[ . 1]"
1 85 MET 3.387 0.192 10 0 "[ . 1]"
1 86 LEU 2.793 0.136 9 0 "[ . 1]"
1 87 ASP 0.695 0.109 6 0 "[ . 1]"
1 88 LYS 0.403 0.269 1 0 "[ . 1]"
1 89 GLU 0.110 0.039 9 0 "[ . 1]"
1 90 ILE 1.184 0.099 3 0 "[ . 1]"
1 91 GLU 1.602 0.099 3 0 "[ . 1]"
1 92 GLU 0.027 0.023 6 0 "[ . 1]"
1 93 VAL 1.031 0.073 9 0 "[ . 1]"
1 94 VAL 0.875 0.075 9 0 "[ . 1]"
1 95 GLU 0.775 0.052 9 0 "[ . 1]"
1 96 LYS 1.005 0.073 9 0 "[ . 1]"
1 97 VAL 0.043 0.021 6 0 "[ . 1]"
1 98 LYS 1.030 0.064 9 0 "[ . 1]"
1 99 LYS 0.212 0.028 2 0 "[ . 1]"
1 100 PHE 0.603 0.114 10 0 "[ . 1]"
1 101 VAL 0.302 0.031 6 0 "[ . 1]"
1 102 GLU 0.535 0.057 10 0 "[ . 1]"
1 103 GLU 0.206 0.022 2 0 "[ . 1]"
1 104 ASN 0.742 0.114 10 0 "[ . 1]"
1 105 ASN 0.134 0.029 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 45 PHE H . . 6.690 6.215 4.940 6.845 0.155 10 0 "[ . 1]" 1
2 1 5 ASN HA 1 6 THR HB . . 5.420 5.361 5.294 5.460 0.040 6 0 "[ . 1]" 1
3 1 5 ASN HA 1 6 THR MG . . 6.020 4.939 4.880 5.017 . 0 0 "[ . 1]" 1
4 1 5 ASN HB3 1 47 VAL MG1 . . 7.200 5.777 5.560 5.935 . 0 0 "[ . 1]" 1
5 1 5 ASN HB3 1 47 VAL MG2 . . 7.200 3.307 3.040 3.468 . 0 0 "[ . 1]" 1
6 1 6 THR H 1 6 THR HB . . 3.180 3.187 3.143 3.221 0.041 6 0 "[ . 1]" 1
7 1 6 THR H 1 6 THR MG . . 4.330 3.665 3.587 3.707 . 0 0 "[ . 1]" 1
8 1 6 THR H 1 47 VAL QG . . 8.960 5.999 5.841 6.077 . 0 0 "[ . 1]" 1
9 1 6 THR HB 1 7 TYR H . . 3.080 3.108 3.091 3.132 0.052 10 0 "[ . 1]" 1
10 1 6 THR HB 1 45 PHE H . . 5.610 5.627 5.554 5.663 0.053 9 0 "[ . 1]" 1
11 1 6 THR MG 1 7 TYR H . . 3.710 2.745 2.624 2.881 . 0 0 "[ . 1]" 1
12 1 6 THR MG 1 42 ILE MG . . 4.100 2.483 2.336 2.732 . 0 0 "[ . 1]" 1
13 1 6 THR MG 1 45 PHE H . . 4.420 3.252 3.133 3.374 . 0 0 "[ . 1]" 1
14 1 7 TYR H 1 7 TYR HA . . 2.930 2.939 2.934 2.944 0.014 6 0 "[ . 1]" 1
15 1 7 TYR H 1 43 LEU H . . 3.700 3.741 3.697 3.816 0.116 7 0 "[ . 1]" 1
16 1 7 TYR H 1 43 LEU QD . . 6.760 3.694 3.506 4.538 . 0 0 "[ . 1]" 1
17 1 7 TYR H 1 45 PHE H . . 4.260 3.670 3.551 3.816 . 0 0 "[ . 1]" 1
18 1 7 TYR H 1 45 PHE QD . . 7.620 4.512 3.822 4.809 . 0 0 "[ . 1]" 1
19 1 7 TYR H 1 46 ASN HA . . 5.480 5.300 5.134 5.388 . 0 0 "[ . 1]" 1
20 1 7 TYR H 1 82 ILE MD . . 5.720 4.289 4.114 4.453 . 0 0 "[ . 1]" 1
21 1 7 TYR HA 1 82 ILE H . . 6.680 6.563 6.276 6.721 0.041 4 0 "[ . 1]" 1
22 1 7 TYR QD 1 8 ARG H . . 6.770 3.723 3.452 3.837 . 0 0 "[ . 1]" 1
23 1 7 TYR QD 1 43 LEU QD . . 9.490 4.176 3.945 4.749 . 0 0 "[ . 1]" 1
24 1 7 TYR QD 1 47 VAL HA . . 7.640 5.413 5.105 5.627 . 0 0 "[ . 1]" 1
25 1 7 TYR QD 1 82 ILE MD . . 6.900 2.839 2.561 3.419 . 0 0 "[ . 1]" 1
26 1 8 ARG H 1 9 MET H . . 4.940 4.424 4.391 4.450 . 0 0 "[ . 1]" 1
27 1 8 ARG H 1 43 LEU QD . . 7.070 3.443 3.160 4.147 . 0 0 "[ . 1]" 1
28 1 8 ARG H 1 43 LEU HG . . 5.500 5.500 4.698 5.627 0.127 5 0 "[ . 1]" 1
29 1 8 ARG H 1 81 LEU QD . . 6.450 4.104 3.952 4.201 . 0 0 "[ . 1]" 1
30 1 8 ARG H 1 82 ILE H . . 5.130 4.255 3.983 4.483 . 0 0 "[ . 1]" 1
31 1 8 ARG H 1 82 ILE HA . . 7.220 6.916 6.667 7.263 0.043 5 0 "[ . 1]" 1
32 1 8 ARG O 1 82 ILE H . . 3.030 2.809 2.734 2.939 . 0 0 "[ . 1]" 1
33 1 8 ARG O 1 82 ILE N . . 3.980 3.734 3.673 3.918 . 0 0 "[ . 1]" 1
34 1 9 MET H 1 41 LEU O . . 2.000 1.626 1.569 1.727 . 0 0 "[ . 1]" 1
35 1 9 MET H 1 42 ILE H . . 4.940 4.748 4.684 4.863 . 0 0 "[ . 1]" 1
36 1 9 MET H 1 42 ILE HA . . 4.140 3.593 3.435 3.727 . 0 0 "[ . 1]" 1
37 1 9 MET H 1 42 ILE MD . . 6.530 4.107 3.641 4.433 . 0 0 "[ . 1]" 1
38 1 9 MET H 1 42 ILE MG . . 6.560 5.320 5.178 5.400 . 0 0 "[ . 1]" 1
39 1 9 MET H 1 43 LEU H . . 4.050 4.107 4.069 4.162 0.112 10 0 "[ . 1]" 1
40 1 9 MET H 1 43 LEU MD1 . . 6.530 2.953 2.655 4.049 . 0 0 "[ . 1]" 1
41 1 9 MET H 1 43 LEU QD . . 5.470 2.643 1.906 2.901 . 0 0 "[ . 1]" 1
42 1 9 MET H 1 43 LEU MD2 . . 6.530 3.400 1.909 3.634 . 0 0 "[ . 1]" 1
43 1 9 MET H 1 43 LEU HG . . 4.760 3.288 3.110 4.036 . 0 0 "[ . 1]" 1
44 1 9 MET H 1 82 ILE H . . 5.760 5.639 5.449 5.799 0.039 3 0 "[ . 1]" 1
45 1 9 MET HA 1 10 LEU H . . 2.490 2.243 2.231 2.252 . 0 0 "[ . 1]" 1
46 1 9 MET HA 1 81 LEU QD . . 7.630 4.615 3.899 5.265 . 0 0 "[ . 1]" 1
47 1 9 MET HA 1 82 ILE H . . 3.950 3.354 3.069 3.597 . 0 0 "[ . 1]" 1
48 1 9 MET HB3 1 43 LEU MD1 . . 3.800 2.938 2.633 3.097 . 0 0 "[ . 1]" 1
49 1 9 MET HB3 1 43 LEU MD2 . . 3.800 1.883 1.759 1.930 . 0 0 "[ . 1]" 1
50 1 9 MET ME 1 10 LEU QD . . 7.950 4.468 4.191 4.719 . 0 0 "[ . 1]" 1
51 1 9 MET ME 1 12 LEU QD . . 8.770 4.688 4.400 4.920 . 0 0 "[ . 1]" 1
52 1 9 MET ME 1 74 TYR HA . . 5.430 4.197 3.905 4.382 . 0 0 "[ . 1]" 1
53 1 9 MET ME 1 75 GLU H . . 4.850 3.699 3.514 3.921 . 0 0 "[ . 1]" 1
54 1 9 MET ME 1 83 VAL QG . . 6.010 3.517 3.282 3.650 . 0 0 "[ . 1]" 1
55 1 9 MET ME 1 84 LEU QD . . 6.370 1.854 1.724 2.104 . 0 0 "[ . 1]" 1
56 1 9 MET ME 1 85 MET H . . 6.000 4.631 4.302 4.850 . 0 0 "[ . 1]" 1
57 1 9 MET N 1 41 LEU O . . 3.000 2.554 2.502 2.652 . 0 0 "[ . 1]" 1
58 1 9 MET O 1 41 LEU H . . 2.000 1.963 1.729 2.064 0.064 2 0 "[ . 1]" 1
59 1 9 MET O 1 41 LEU N . . 3.000 2.880 2.671 2.977 . 0 0 "[ . 1]" 1
60 1 10 LEU H 1 10 LEU HG . . 2.400 2.102 1.917 2.295 . 0 0 "[ . 1]" 1
61 1 10 LEU H 1 11 VAL H . . 4.470 4.450 4.382 4.484 0.014 4 0 "[ . 1]" 1
62 1 10 LEU H 1 12 LEU QD . . 7.240 4.621 4.511 4.717 . 0 0 "[ . 1]" 1
63 1 10 LEU H 1 43 LEU QD . . 7.450 4.660 4.619 4.736 . 0 0 "[ . 1]" 1
64 1 10 LEU H 1 82 ILE H . . 4.830 4.523 4.227 4.777 . 0 0 "[ . 1]" 1
65 1 10 LEU H 1 82 ILE O . . 2.620 2.213 1.965 2.474 . 0 0 "[ . 1]" 1
66 1 10 LEU QD 1 11 VAL H . . 6.420 4.260 3.651 4.494 . 0 0 "[ . 1]" 1
67 1 10 LEU QD 1 12 LEU QD . . 7.060 2.468 1.841 2.902 . 0 0 "[ . 1]" 1
68 1 10 LEU QD 1 37 PHE QD . . 7.460 3.792 2.236 4.581 . 0 0 "[ . 1]" 1
69 1 10 LEU MD1 1 12 LEU MD1 . . 9.180 4.097 3.108 4.679 . 0 0 "[ . 1]" 1
70 1 10 LEU MD1 1 12 LEU MD2 . . 9.180 2.594 1.849 3.877 . 0 0 "[ . 1]" 1
71 1 10 LEU MD2 1 12 LEU MD1 . . 9.180 5.973 4.571 6.367 . 0 0 "[ . 1]" 1
72 1 10 LEU MD2 1 12 LEU MD2 . . 9.180 4.376 4.037 4.714 . 0 0 "[ . 1]" 1
73 1 10 LEU HG 1 12 LEU QD . . 7.540 3.828 3.283 5.184 . 0 0 "[ . 1]" 1
74 1 10 LEU N 1 82 ILE O . . 3.460 3.108 2.881 3.358 . 0 0 "[ . 1]" 1
75 1 10 LEU O 1 84 LEU H . . 2.000 1.755 1.577 2.006 0.006 5 0 "[ . 1]" 1
76 1 10 LEU O 1 84 LEU N . . 3.000 2.722 2.549 2.966 . 0 0 "[ . 1]" 1
77 1 11 VAL H 1 11 VAL HB . . 2.710 2.491 2.276 2.797 0.087 10 0 "[ . 1]" 1
78 1 11 VAL H 1 37 PHE HA . . 4.110 4.105 3.939 4.237 0.127 7 0 "[ . 1]" 1
79 1 11 VAL H 1 38 VAL H . . 4.010 3.434 3.284 3.639 . 0 0 "[ . 1]" 1
80 1 11 VAL H 1 38 VAL QG . . 5.500 3.118 2.824 3.259 . 0 0 "[ . 1]" 1
81 1 11 VAL H 1 39 ASP H . . 3.020 2.958 2.846 3.040 0.020 7 0 "[ . 1]" 1
82 1 11 VAL H 1 40 GLU HA . . 4.010 3.854 3.658 4.034 0.024 8 0 "[ . 1]" 1
83 1 11 VAL HB 1 40 GLU HA . . 5.500 5.481 5.306 5.563 0.063 10 0 "[ . 1]" 1
84 1 11 VAL HB 1 41 LEU QD . . 6.010 3.868 3.710 4.007 . 0 0 "[ . 1]" 1
85 1 11 VAL QG 1 12 LEU QD . . 9.510 3.638 3.306 3.786 . 0 0 "[ . 1]" 1
86 1 11 VAL N 1 38 VAL O . . 7.030 6.976 6.860 7.080 0.050 4 0 "[ . 1]" 1
87 1 11 VAL O 1 38 VAL H . . 2.000 1.870 1.618 2.019 0.019 3 0 "[ . 1]" 1
88 1 11 VAL O 1 38 VAL N . . 3.000 2.800 2.519 2.967 . 0 0 "[ . 1]" 1
89 1 12 LEU H 1 12 LEU MD1 . . 5.320 3.589 1.842 3.901 . 0 0 "[ . 1]" 1
90 1 12 LEU H 1 12 LEU QD . . 4.190 2.143 1.839 2.445 . 0 0 "[ . 1]" 1
91 1 12 LEU H 1 12 LEU MD2 . . 5.320 2.382 1.916 4.081 . 0 0 "[ . 1]" 1
92 1 12 LEU H 1 13 LEU H . . 4.420 4.435 4.407 4.468 0.048 7 0 "[ . 1]" 1
93 1 12 LEU H 1 84 LEU H . . 4.720 3.693 3.452 3.933 . 0 0 "[ . 1]" 1
94 1 12 LEU H 1 84 LEU QD . . 6.360 4.232 3.944 4.383 . 0 0 "[ . 1]" 1
95 1 12 LEU H 1 84 LEU O . . 2.000 1.800 1.680 1.913 . 0 0 "[ . 1]" 1
96 1 12 LEU H 1 85 MET HA . . 4.260 2.905 2.627 3.051 . 0 0 "[ . 1]" 1
97 1 12 LEU H 1 85 MET ME . . 5.390 4.242 4.116 4.449 . 0 0 "[ . 1]" 1
98 1 12 LEU H 1 86 LEU H . . 4.320 3.891 3.709 4.065 . 0 0 "[ . 1]" 1
99 1 12 LEU HA 1 13 LEU H . . 2.620 2.216 2.209 2.227 . 0 0 "[ . 1]" 1
100 1 12 LEU HA 1 38 VAL H . . 3.480 3.176 2.891 3.349 . 0 0 "[ . 1]" 1
101 1 12 LEU HA 1 38 VAL QG . . 5.390 3.631 3.193 3.814 . 0 0 "[ . 1]" 1
102 1 12 LEU QD 1 36 GLU H . . 7.010 3.884 3.537 4.711 . 0 0 "[ . 1]" 1
103 1 12 LEU QD 1 37 PHE H . . 8.100 3.829 2.852 4.268 . 0 0 "[ . 1]" 1
104 1 12 LEU QD 1 37 PHE QD . . 7.930 4.556 2.298 5.168 . 0 0 "[ . 1]" 1
105 1 12 LEU QD 1 38 VAL H . . 6.570 4.510 4.157 4.613 . 0 0 "[ . 1]" 1
106 1 12 LEU QD 1 83 VAL QG . . 10.310 1.660 1.597 1.781 . 0 0 "[ . 1]" 1
107 1 12 LEU QD 1 84 LEU H . . 8.100 2.668 2.482 2.919 . 0 0 "[ . 1]" 1
108 1 12 LEU QD 1 85 MET ME . . 6.460 2.464 2.255 2.925 . 0 0 "[ . 1]" 1
109 1 12 LEU MD1 1 13 LEU H . . 6.530 4.802 4.691 4.931 . 0 0 "[ . 1]" 1
110 1 12 LEU MD1 1 73 LYS HE3 . . 5.920 4.569 3.747 4.846 . 0 0 "[ . 1]" 1
111 1 12 LEU MD1 1 73 LYS HG3 . . 7.020 5.393 5.024 5.799 . 0 0 "[ . 1]" 1
112 1 12 LEU MD2 1 13 LEU H . . 6.530 5.057 5.003 5.119 . 0 0 "[ . 1]" 1
113 1 12 LEU MD2 1 73 LYS HE3 . . 7.550 5.762 5.589 6.226 . 0 0 "[ . 1]" 1
114 1 12 LEU MD2 1 73 LYS HG3 . . 8.460 6.104 5.592 7.002 . 0 0 "[ . 1]" 1
115 1 12 LEU N 1 84 LEU O . . 3.000 2.772 2.629 2.877 . 0 0 "[ . 1]" 1
116 1 12 LEU O 1 86 LEU H . . 2.110 2.201 2.147 2.234 0.124 10 0 "[ . 1]" 1
117 1 12 LEU O 1 86 LEU N . . 3.090 3.185 3.146 3.226 0.136 9 0 "[ . 1]" 1
118 1 13 LEU H 1 13 LEU QD . . 5.060 3.802 3.681 3.867 . 0 0 "[ . 1]" 1
119 1 13 LEU H 1 13 LEU HG . . 4.270 4.213 4.144 4.233 . 0 0 "[ . 1]" 1
120 1 13 LEU H 1 14 GLU HA . . 4.600 4.623 4.510 4.647 0.047 10 0 "[ . 1]" 1
121 1 13 LEU H 1 38 VAL QG . . 5.420 4.020 3.773 4.134 . 0 0 "[ . 1]" 1
122 1 13 LEU HA 1 14 GLU H . . 2.710 2.246 2.177 2.263 . 0 0 "[ . 1]" 1
123 1 13 LEU HA 1 86 LEU H . . 3.390 3.273 3.048 3.420 0.030 1 0 "[ . 1]" 1
124 1 13 LEU QD 1 14 GLU H . . 4.870 2.950 2.542 3.595 . 0 0 "[ . 1]" 1
125 1 13 LEU QD 1 88 LYS H . . 7.630 3.474 3.045 3.945 . 0 0 "[ . 1]" 1
126 1 13 LEU QD 1 88 LYS HA . . 4.530 1.974 1.778 2.126 . 0 0 "[ . 1]" 1
127 1 13 LEU QD 1 91 GLU H . . 5.560 3.533 3.246 3.699 . 0 0 "[ . 1]" 1
128 1 13 LEU QD 1 91 GLU HA . . 4.530 2.137 1.922 2.363 . 0 0 "[ . 1]" 1
129 1 13 LEU QD 1 91 GLU HB3 . . 5.220 3.555 3.304 3.706 . 0 0 "[ . 1]" 1
130 1 13 LEU QD 1 91 GLU HG3 . . 4.590 1.861 1.680 2.006 . 0 0 "[ . 1]" 1
131 1 13 LEU HG 1 14 GLU H . . 3.670 2.600 2.441 3.121 . 0 0 "[ . 1]" 1
132 1 13 LEU HG 1 36 GLU H . . 6.430 6.195 5.317 6.462 0.032 8 0 "[ . 1]" 1
133 1 14 GLU H 1 34 MET HA . . 6.370 6.119 5.727 6.418 0.048 7 0 "[ . 1]" 1
134 1 14 GLU H 1 35 HIS HA . . 4.540 4.163 3.349 4.566 0.026 4 0 "[ . 1]" 1
135 1 16 ASP H 1 17 THR H . . 5.500 4.415 4.281 4.585 . 0 0 "[ . 1]" 1
136 1 16 ASP HA 1 17 THR MG . . 6.220 4.120 3.105 5.260 . 0 0 "[ . 1]" 1
137 1 17 THR H 1 17 THR HA . . 2.900 2.688 2.238 2.945 0.045 1 0 "[ . 1]" 1
138 1 17 THR H 1 17 THR MG . . 4.110 2.771 1.910 3.495 . 0 0 "[ . 1]" 1
139 1 18 LYS HA 1 18 LYS HB3 . . 2.430 2.414 2.363 2.444 0.014 10 0 "[ . 1]" 1
140 1 18 LYS HA 1 18 LYS HG3 . . 3.850 3.737 3.541 4.011 0.161 4 0 "[ . 1]" 1
141 1 18 LYS HA 1 19 ILE H . . 3.050 2.550 2.263 2.896 . 0 0 "[ . 1]" 1
142 1 19 ILE H 1 19 ILE HB . . 3.020 2.424 2.334 2.546 . 0 0 "[ . 1]" 1
143 1 19 ILE H 1 19 ILE MD . . 5.690 3.789 3.594 4.205 . 0 0 "[ . 1]" 1
144 1 19 ILE H 1 19 ILE HG13 . . 5.500 4.032 3.794 4.301 . 0 0 "[ . 1]" 1
145 1 19 ILE HA 1 19 ILE HB . . 3.010 3.011 2.967 3.020 0.010 1 0 "[ . 1]" 1
146 1 19 ILE HA 1 19 ILE HG13 . . 3.710 3.685 3.587 3.731 0.021 1 0 "[ . 1]" 1
147 1 19 ILE HA 1 19 ILE MG . . 3.430 2.449 2.375 2.673 . 0 0 "[ . 1]" 1
148 1 19 ILE HB 1 19 ILE HG13 . . 2.520 2.420 2.366 2.502 . 0 0 "[ . 1]" 1
149 1 24 GLU HA 1 27 LEU QD . . 6.760 4.074 3.703 4.336 . 0 0 "[ . 1]" 1
150 1 27 LEU H 1 27 LEU HG . . 5.500 3.504 2.688 3.922 . 0 0 "[ . 1]" 1
151 1 27 LEU HA 1 27 LEU HB3 . . 2.640 2.676 2.560 2.747 0.107 8 0 "[ . 1]" 1
152 1 27 LEU HA 1 30 LYS H . . 6.390 5.884 5.240 6.392 0.002 1 0 "[ . 1]" 1
153 1 27 LEU QD 1 30 LYS H . . 7.760 1.915 1.724 2.359 . 0 0 "[ . 1]" 1
154 1 27 LEU QD 1 30 LYS HA . . 5.000 3.499 3.197 3.682 . 0 0 "[ . 1]" 1
155 1 38 VAL H 1 38 VAL HB . . 2.960 2.647 2.490 2.791 . 0 0 "[ . 1]" 1
156 1 38 VAL H 1 39 ASP H . . 2.830 2.096 2.033 2.294 . 0 0 "[ . 1]" 1
157 1 38 VAL HA 1 38 VAL HB . . 2.770 2.519 2.441 2.594 . 0 0 "[ . 1]" 1
158 1 38 VAL HA 1 39 ASP H . . 3.550 3.580 3.557 3.608 0.058 9 0 "[ . 1]" 1
159 1 38 VAL HB 1 39 ASP H . . 3.950 3.896 3.743 4.071 0.121 10 0 "[ . 1]" 1
160 1 38 VAL QG 1 39 ASP H . . 4.520 2.003 1.918 2.157 . 0 0 "[ . 1]" 1
161 1 38 VAL QG 1 39 ASP HA . . 7.280 3.732 3.661 3.794 . 0 0 "[ . 1]" 1
162 1 39 ASP H 1 39 ASP HA . . 2.900 2.802 2.794 2.828 . 0 0 "[ . 1]" 1
163 1 39 ASP H 1 40 GLU H . . 4.330 4.319 4.310 4.334 0.004 3 0 "[ . 1]" 1
164 1 39 ASP H 1 40 GLU HA . . 4.440 4.430 4.416 4.460 0.020 3 0 "[ . 1]" 1
165 1 39 ASP HA 1 40 GLU H . . 2.520 2.517 2.503 2.529 0.009 7 0 "[ . 1]" 1
166 1 39 ASP HB3 1 40 GLU H . . 4.170 2.888 2.652 3.512 . 0 0 "[ . 1]" 1
167 1 40 GLU H 1 41 LEU H . . 4.430 4.442 4.417 4.463 0.033 7 0 "[ . 1]" 1
168 1 40 GLU H 1 41 LEU QD . . 5.520 3.629 3.553 3.856 . 0 0 "[ . 1]" 1
169 1 40 GLU H 1 41 LEU HG . . 4.350 4.340 4.146 4.416 0.066 7 0 "[ . 1]" 1
170 1 40 GLU HA 1 41 LEU H . . 2.620 2.281 2.261 2.310 . 0 0 "[ . 1]" 1
171 1 40 GLU HB3 1 41 LEU QD . . 7.630 4.774 4.462 5.444 . 0 0 "[ . 1]" 1
172 1 41 LEU H 1 42 ILE H . . 4.430 4.420 4.398 4.428 . 0 0 "[ . 1]" 1
173 1 41 LEU HB3 1 101 VAL MG1 . . 5.330 2.110 1.970 2.337 . 0 0 "[ . 1]" 1
174 1 41 LEU HB3 1 101 VAL MG2 . . 5.610 4.654 4.588 4.727 . 0 0 "[ . 1]" 1
175 1 41 LEU QD 1 42 ILE H . . 5.800 4.082 3.876 4.207 . 0 0 "[ . 1]" 1
176 1 41 LEU QD 1 43 LEU QD . . 9.110 3.983 3.664 4.220 . 0 0 "[ . 1]" 1
177 1 41 LEU QD 1 98 LYS HA . . 5.150 2.524 2.058 2.925 . 0 0 "[ . 1]" 1
178 1 41 LEU QD 1 98 LYS HE3 . . 7.630 2.900 2.260 3.375 . 0 0 "[ . 1]" 1
179 1 41 LEU QD 1 99 LYS H . . 7.100 4.796 4.608 5.174 . 0 0 "[ . 1]" 1
180 1 41 LEU QD 1 101 VAL H . . 6.300 4.001 3.665 4.327 . 0 0 "[ . 1]" 1
181 1 41 LEU QD 1 101 VAL HB . . 4.900 2.482 1.941 2.817 . 0 0 "[ . 1]" 1
182 1 41 LEU QD 1 101 VAL MG1 . . 6.800 2.387 2.100 2.528 . 0 0 "[ . 1]" 1
183 1 41 LEU QD 1 101 VAL QG . . 6.140 2.307 2.077 2.460 . 0 0 "[ . 1]" 1
184 1 41 LEU QD 1 101 VAL MG2 . . 6.800 3.118 2.456 3.371 . 0 0 "[ . 1]" 1
185 1 41 LEU QD 1 102 GLU H . . 6.800 2.731 2.522 3.036 . 0 0 "[ . 1]" 1
186 1 41 LEU QD 1 102 GLU HA . . 5.200 3.074 2.720 3.885 . 0 0 "[ . 1]" 1
187 1 42 ILE H 1 42 ILE HB . . 2.430 2.507 2.458 2.567 0.137 10 0 "[ . 1]" 1
188 1 42 ILE H 1 42 ILE MD . . 4.130 3.370 2.993 3.476 . 0 0 "[ . 1]" 1
189 1 42 ILE H 1 42 ILE HG13 . . 3.540 3.539 3.429 3.577 0.037 5 0 "[ . 1]" 1
190 1 42 ILE H 1 42 ILE MG . . 4.370 3.757 3.744 3.768 . 0 0 "[ . 1]" 1
191 1 42 ILE H 1 43 LEU H . . 4.540 4.477 4.446 4.530 . 0 0 "[ . 1]" 1
192 1 42 ILE H 1 43 LEU QD . . 7.970 4.765 3.824 4.920 . 0 0 "[ . 1]" 1
193 1 42 ILE HA 1 42 ILE MD . . 3.610 2.009 1.962 2.101 . 0 0 "[ . 1]" 1
194 1 42 ILE HA 1 42 ILE MG . . 3.430 2.370 2.299 2.429 . 0 0 "[ . 1]" 1
195 1 42 ILE HA 1 43 LEU H . . 2.460 2.181 2.176 2.191 . 0 0 "[ . 1]" 1
196 1 42 ILE HB 1 42 ILE HG13 . . 2.400 2.399 2.356 2.469 0.069 5 0 "[ . 1]" 1
197 1 42 ILE MD 1 43 LEU H . . 6.530 3.712 3.574 3.826 . 0 0 "[ . 1]" 1
198 1 42 ILE MG 1 43 LEU H . . 5.910 2.728 2.573 2.937 . 0 0 "[ . 1]" 1
199 1 43 LEU H 1 43 LEU QD . . 5.020 2.074 1.892 2.274 . 0 0 "[ . 1]" 1
200 1 43 LEU H 1 43 LEU HG . . 3.200 2.203 1.889 2.417 . 0 0 "[ . 1]" 1
201 1 43 LEU H 1 45 PHE H . . 4.790 4.011 3.965 4.043 . 0 0 "[ . 1]" 1
202 1 43 LEU HB3 1 44 PRO HD3 . . 5.500 3.204 3.171 3.392 . 0 0 "[ . 1]" 1
203 1 43 LEU QD 1 45 PHE H . . 5.040 3.385 3.283 3.682 . 0 0 "[ . 1]" 1
204 1 43 LEU QD 1 45 PHE QD . . 9.290 3.059 2.935 3.233 . 0 0 "[ . 1]" 1
205 1 43 LEU QD 1 82 ILE H . . 8.100 4.085 3.857 4.414 . 0 0 "[ . 1]" 1
206 1 43 LEU QD 1 82 ILE MD . . 6.000 1.957 1.855 2.156 . 0 0 "[ . 1]" 1
207 1 43 LEU QD 1 82 ILE MG . . 6.650 2.448 2.213 2.787 . 0 0 "[ . 1]" 1
208 1 43 LEU QD 1 101 VAL QG . . 5.810 1.812 1.650 2.004 . 0 0 "[ . 1]" 1
209 1 43 LEU QD 1 105 ASN QD . . 7.010 3.983 3.205 4.295 . 0 0 "[ . 1]" 1
210 1 43 LEU MD1 1 44 PRO HD3 . . 7.060 5.133 5.084 5.173 . 0 0 "[ . 1]" 1
211 1 43 LEU MD1 1 82 ILE MD . . 7.560 1.966 1.862 2.168 . 0 0 "[ . 1]" 1
212 1 43 LEU MD1 1 101 VAL MG1 . . 7.600 3.697 3.309 3.947 . 0 0 "[ . 1]" 1
213 1 43 LEU MD1 1 101 VAL MG2 . . 7.600 4.355 3.440 4.649 . 0 0 "[ . 1]" 1
214 1 43 LEU MD2 1 44 PRO HD3 . . 7.060 4.714 4.692 4.756 . 0 0 "[ . 1]" 1
215 1 43 LEU MD2 1 82 ILE MD . . 7.560 3.559 3.162 3.812 . 0 0 "[ . 1]" 1
216 1 43 LEU MD2 1 101 VAL MG1 . . 7.600 1.951 1.781 2.272 . 0 0 "[ . 1]" 1
217 1 43 LEU MD2 1 101 VAL MG2 . . 7.600 2.238 1.916 2.689 . 0 0 "[ . 1]" 1
218 1 44 PRO HG3 1 45 PHE H . . 5.410 5.463 5.446 5.480 0.070 10 0 "[ . 1]" 1
219 1 45 PHE H 1 45 PHE HB3 . . 3.240 2.114 2.030 2.154 . 0 0 "[ . 1]" 1
220 1 45 PHE H 1 46 ASN H . . 4.550 4.540 4.522 4.556 0.006 4 0 "[ . 1]" 1
221 1 45 PHE H 1 46 ASN HA . . 5.500 5.101 5.086 5.115 . 0 0 "[ . 1]" 1
222 1 45 PHE H 1 53 LEU MD1 . . 4.980 4.091 4.004 4.198 . 0 0 "[ . 1]" 1
223 1 45 PHE H 1 53 LEU QD . . 6.080 4.022 3.931 4.122 . 0 0 "[ . 1]" 1
224 1 45 PHE H 1 53 LEU MD2 . . 7.420 5.942 5.643 6.092 . 0 0 "[ . 1]" 1
225 1 45 PHE H 1 76 ILE MD . . 8.880 7.168 6.958 7.327 . 0 0 "[ . 1]" 1
226 1 45 PHE H 1 82 ILE MG . . 8.190 6.735 6.602 6.806 . 0 0 "[ . 1]" 1
227 1 45 PHE QD 1 46 ASN H . . 7.620 2.151 1.929 2.584 . 0 0 "[ . 1]" 1
228 1 45 PHE QD 1 53 LEU H . . 7.620 5.149 4.989 5.248 . 0 0 "[ . 1]" 1
229 1 45 PHE QD 1 53 LEU MD1 . . 6.390 2.108 1.950 2.413 . 0 0 "[ . 1]" 1
230 1 45 PHE QD 1 53 LEU QD . . 5.780 2.034 1.867 2.311 . 0 0 "[ . 1]" 1
231 1 45 PHE QD 1 53 LEU MD2 . . 6.390 2.697 2.385 2.983 . 0 0 "[ . 1]" 1
232 1 45 PHE QD 1 76 ILE MD . . 6.290 4.456 4.169 4.688 . 0 0 "[ . 1]" 1
233 1 45 PHE QD 1 76 ILE MG . . 6.080 4.116 3.647 4.534 . 0 0 "[ . 1]" 1
234 1 45 PHE QD 1 81 LEU H . . 6.820 5.404 5.268 5.780 . 0 0 "[ . 1]" 1
235 1 45 PHE QD 1 82 ILE H . . 7.620 5.306 5.156 5.488 . 0 0 "[ . 1]" 1
236 1 45 PHE QD 1 82 ILE MD . . 6.260 1.860 1.782 1.996 . 0 0 "[ . 1]" 1
237 1 46 ASN H 1 47 VAL H . . 4.500 4.485 4.479 4.506 0.006 1 0 "[ . 1]" 1
238 1 46 ASN H 1 49 GLU H . . 4.420 4.270 4.134 4.473 0.053 5 0 "[ . 1]" 1
239 1 46 ASN HA 1 47 VAL H . . 2.830 2.502 2.477 2.514 . 0 0 "[ . 1]" 1
240 1 46 ASN HA 1 47 VAL QG . . 8.090 3.480 3.365 3.690 . 0 0 "[ . 1]" 1
241 1 46 ASN QD 1 47 VAL QG . . 6.170 3.408 3.170 3.590 . 0 0 "[ . 1]" 1
242 1 46 ASN QD 1 48 ASP H . . 6.370 3.070 2.822 3.292 . 0 0 "[ . 1]" 1
243 1 46 ASN QD 1 49 GLU H . . 6.380 5.460 5.431 5.492 . 0 0 "[ . 1]" 1
244 1 46 ASN HD21 1 47 VAL H . . 5.500 2.208 2.031 2.648 . 0 0 "[ . 1]" 1
245 1 46 ASN HD21 1 47 VAL MG1 . . 6.520 5.242 5.134 5.465 . 0 0 "[ . 1]" 1
246 1 46 ASN HD21 1 47 VAL MG2 . . 6.030 3.570 3.273 3.814 . 0 0 "[ . 1]" 1
247 1 46 ASN HD22 1 47 VAL H . . 5.500 3.832 3.745 3.998 . 0 0 "[ . 1]" 1
248 1 46 ASN HD22 1 47 VAL MG1 . . 7.990 6.560 6.465 6.689 . 0 0 "[ . 1]" 1
249 1 46 ASN HD22 1 47 VAL MG2 . . 6.030 4.719 4.556 4.839 . 0 0 "[ . 1]" 1
250 1 47 VAL H 1 47 VAL HB . . 2.900 2.421 2.344 2.551 . 0 0 "[ . 1]" 1
251 1 47 VAL H 1 47 VAL MG1 . . 4.240 3.710 3.697 3.719 . 0 0 "[ . 1]" 1
252 1 47 VAL H 1 47 VAL MG2 . . 3.430 2.092 1.907 2.377 . 0 0 "[ . 1]" 1
253 1 47 VAL H 1 48 ASP H . . 2.510 2.453 2.416 2.515 0.005 9 0 "[ . 1]" 1
254 1 47 VAL HA 1 47 VAL HB . . 2.980 3.023 3.019 3.026 0.046 10 0 "[ . 1]" 1
255 1 47 VAL HA 1 47 VAL MG1 . . 3.550 2.362 2.197 2.483 . 0 0 "[ . 1]" 1
256 1 47 VAL HA 1 47 VAL QG . . 3.120 2.112 2.051 2.182 . 0 0 "[ . 1]" 1
257 1 47 VAL HA 1 47 VAL MG2 . . 3.550 2.391 2.255 2.474 . 0 0 "[ . 1]" 1
258 1 47 VAL HA 1 48 ASP H . . 3.470 3.483 3.445 3.521 0.051 9 0 "[ . 1]" 1
259 1 47 VAL HB 1 48 ASP H . . 3.290 3.196 3.071 3.307 0.017 5 0 "[ . 1]" 1
260 1 47 VAL QG 1 48 ASP H . . 4.520 3.530 3.485 3.586 . 0 0 "[ . 1]" 1
261 1 47 VAL QG 1 49 GLU H . . 7.160 4.323 4.283 4.360 . 0 0 "[ . 1]" 1
262 1 47 VAL QG 1 80 GLY H . . 7.930 4.462 4.146 4.703 . 0 0 "[ . 1]" 1
263 1 47 VAL MG1 1 48 ASP H . . 5.040 3.955 3.808 4.144 . 0 0 "[ . 1]" 1
264 1 47 VAL MG1 1 48 ASP HB3 . . 8.560 5.245 4.138 5.692 . 0 0 "[ . 1]" 1
265 1 47 VAL MG1 1 78 SER HB3 . . 7.130 3.763 3.017 4.152 . 0 0 "[ . 1]" 1
266 1 47 VAL MG2 1 48 ASP H . . 5.040 3.983 3.870 4.096 . 0 0 "[ . 1]" 1
267 1 47 VAL MG2 1 48 ASP HB3 . . 8.560 5.827 5.409 6.097 . 0 0 "[ . 1]" 1
268 1 47 VAL MG2 1 78 SER HB3 . . 7.130 4.986 4.292 5.437 . 0 0 "[ . 1]" 1
269 1 48 ASP H 1 48 ASP HB3 . . 4.110 2.604 2.422 2.707 . 0 0 "[ . 1]" 1
270 1 48 ASP H 1 49 GLU H . . 3.000 2.942 2.865 3.002 0.002 9 0 "[ . 1]" 1
271 1 49 GLU H 1 50 LEU H . . 3.360 2.182 2.048 2.235 . 0 0 "[ . 1]" 1
272 1 49 GLU H 1 50 LEU HA . . 3.940 3.949 3.879 3.977 0.037 10 0 "[ . 1]" 1
273 1 49 GLU H 1 50 LEU QD . . 7.110 2.165 2.007 2.299 . 0 0 "[ . 1]" 1
274 1 49 GLU H 1 53 LEU QD . . 8.100 4.852 4.767 5.014 . 0 0 "[ . 1]" 1
275 1 50 LEU H 1 50 LEU HA . . 2.860 2.827 2.790 2.839 . 0 0 "[ . 1]" 1
276 1 50 LEU H 1 50 LEU MD1 . . 4.510 3.749 3.710 3.776 . 0 0 "[ . 1]" 1
277 1 50 LEU H 1 50 LEU QD . . 3.920 1.977 1.879 2.295 . 0 0 "[ . 1]" 1
278 1 50 LEU H 1 50 LEU MD2 . . 4.510 1.986 1.884 2.316 . 0 0 "[ . 1]" 1
279 1 50 LEU H 1 50 LEU HG . . 5.500 3.890 3.743 4.090 . 0 0 "[ . 1]" 1
280 1 50 LEU H 1 51 ASP H . . 3.730 2.571 2.540 2.653 . 0 0 "[ . 1]" 1
281 1 50 LEU H 1 53 LEU QD . . 8.100 4.768 4.674 4.959 . 0 0 "[ . 1]" 1
282 1 50 LEU HA 1 50 LEU MD1 . . 3.710 1.987 1.920 2.090 . 0 0 "[ . 1]" 1
283 1 50 LEU HA 1 50 LEU QD . . 3.210 1.935 1.886 2.010 . 0 0 "[ . 1]" 1
284 1 50 LEU HA 1 50 LEU MD2 . . 3.710 2.686 2.582 2.810 . 0 0 "[ . 1]" 1
285 1 50 LEU HA 1 53 LEU H . . 3.420 3.327 3.290 3.379 . 0 0 "[ . 1]" 1
286 1 50 LEU HA 1 53 LEU QD . . 7.040 2.658 2.503 2.924 . 0 0 "[ . 1]" 1
287 1 50 LEU HA 1 54 ASN H . . 3.590 3.621 3.603 3.654 0.064 5 0 "[ . 1]" 1
288 1 50 LEU QD 1 53 LEU QD . . 5.860 2.223 2.038 2.470 . 0 0 "[ . 1]" 1
289 1 50 LEU QD 1 54 ASN QD . . 5.820 2.772 2.570 2.983 . 0 0 "[ . 1]" 1
290 1 50 LEU MD1 1 53 LEU MD1 . . 8.680 4.243 4.055 4.457 . 0 0 "[ . 1]" 1
291 1 50 LEU MD1 1 53 LEU MD2 . . 8.680 2.255 2.057 2.523 . 0 0 "[ . 1]" 1
292 1 50 LEU MD1 1 54 ASN HD21 . . 6.610 3.186 2.805 3.463 . 0 0 "[ . 1]" 1
293 1 50 LEU MD1 1 54 ASN HD22 . . 6.610 3.107 2.871 3.329 . 0 0 "[ . 1]" 1
294 1 50 LEU MD2 1 53 LEU MD1 . . 8.680 4.944 4.848 5.083 . 0 0 "[ . 1]" 1
295 1 50 LEU MD2 1 53 LEU MD2 . . 8.680 3.667 3.460 3.860 . 0 0 "[ . 1]" 1
296 1 50 LEU MD2 1 54 ASN HD21 . . 6.610 4.999 4.946 5.045 . 0 0 "[ . 1]" 1
297 1 50 LEU MD2 1 54 ASN HD22 . . 6.610 5.479 5.307 5.540 . 0 0 "[ . 1]" 1
298 1 50 LEU HG 1 54 ASN QD . . 6.370 4.451 4.216 4.589 . 0 0 "[ . 1]" 1
299 1 51 ASP HA 1 53 LEU H . . 5.160 4.391 4.368 4.416 . 0 0 "[ . 1]" 1
300 1 51 ASP HA 1 54 ASN H . . 3.450 3.472 3.420 3.502 0.052 6 0 "[ . 1]" 1
301 1 51 ASP HA 1 54 ASN QD . . 6.090 3.489 3.270 3.604 . 0 0 "[ . 1]" 1
302 1 51 ASP HA 1 55 THR H . . 4.170 4.134 4.068 4.179 0.009 6 0 "[ . 1]" 1
303 1 51 ASP O 1 55 THR H . . 2.000 1.961 1.906 2.012 0.012 10 0 "[ . 1]" 1
304 1 51 ASP O 1 55 THR N . . 3.000 2.838 2.814 2.883 . 0 0 "[ . 1]" 1
305 1 52 GLU H 1 52 GLU HA . . 2.800 2.798 2.793 2.805 0.005 1 0 "[ . 1]" 1
306 1 52 GLU H 1 52 GLU HB3 . . 2.950 2.929 2.896 2.969 0.019 5 0 "[ . 1]" 1
307 1 52 GLU H 1 53 LEU H . . 2.960 2.566 2.544 2.592 . 0 0 "[ . 1]" 1
308 1 52 GLU H 1 53 LEU HB3 . . 4.750 4.641 4.612 4.712 . 0 0 "[ . 1]" 1
309 1 52 GLU HA 1 52 GLU HB3 . . 2.990 2.993 2.984 3.002 0.012 9 0 "[ . 1]" 1
310 1 52 GLU HA 1 52 GLU HG3 . . 2.620 2.613 2.574 2.625 0.005 1 0 "[ . 1]" 1
311 1 52 GLU HA 1 55 THR HB . . 2.960 2.802 2.715 2.922 . 0 0 "[ . 1]" 1
312 1 52 GLU HB3 1 52 GLU HG3 . . 3.030 3.035 3.033 3.041 0.011 5 0 "[ . 1]" 1
313 1 52 GLU O 1 56 TRP H . . 2.000 1.852 1.764 1.922 . 0 0 "[ . 1]" 1
314 1 52 GLU O 1 56 TRP N . . 3.000 2.808 2.726 2.885 . 0 0 "[ . 1]" 1
315 1 53 LEU H 1 53 LEU HA . . 2.860 2.839 2.830 2.847 . 0 0 "[ . 1]" 1
316 1 53 LEU H 1 53 LEU HB3 . . 2.350 2.296 2.259 2.340 . 0 0 "[ . 1]" 1
317 1 53 LEU H 1 53 LEU MD1 . . 5.150 4.238 4.223 4.260 . 0 0 "[ . 1]" 1
318 1 53 LEU H 1 53 LEU QD . . 4.800 3.668 3.645 3.708 . 0 0 "[ . 1]" 1
319 1 53 LEU H 1 53 LEU MD2 . . 4.950 4.018 3.967 4.088 . 0 0 "[ . 1]" 1
320 1 53 LEU H 1 53 LEU HG . . 5.500 4.346 4.319 4.364 . 0 0 "[ . 1]" 1
321 1 53 LEU H 1 54 ASN H . . 2.770 2.511 2.475 2.543 . 0 0 "[ . 1]" 1
322 1 53 LEU H 1 55 THR H . . 4.540 3.876 3.843 3.929 . 0 0 "[ . 1]" 1
323 1 53 LEU HA 1 53 LEU QD . . 4.200 2.793 2.622 2.836 . 0 0 "[ . 1]" 1
324 1 53 LEU HA 1 53 LEU HG . . 3.080 2.773 2.713 2.854 . 0 0 "[ . 1]" 1
325 1 53 LEU HA 1 56 TRP H . . 3.520 3.333 3.199 3.428 . 0 0 "[ . 1]" 1
326 1 53 LEU HB3 1 54 ASN H . . 2.860 2.820 2.779 2.843 . 0 0 "[ . 1]" 1
327 1 53 LEU QD 1 54 ASN H . . 5.710 3.603 3.425 3.747 . 0 0 "[ . 1]" 1
328 1 53 LEU QD 1 54 ASN HA . . 7.940 3.648 3.454 3.752 . 0 0 "[ . 1]" 1
329 1 53 LEU QD 1 56 TRP H . . 8.100 5.082 4.970 5.160 . 0 0 "[ . 1]" 1
330 1 53 LEU QD 1 56 TRP HE1 . . 8.100 3.830 2.388 4.528 . 0 0 "[ . 1]" 1
331 1 53 LEU QD 1 57 PHE QD . . 7.680 3.776 3.161 4.082 . 0 0 "[ . 1]" 1
332 1 53 LEU QD 1 76 ILE MD . . 9.130 2.390 1.915 2.611 . 0 0 "[ . 1]" 1
333 1 53 LEU QD 1 76 ILE MG . . 5.490 2.630 2.511 2.726 . 0 0 "[ . 1]" 1
334 1 53 LEU QD 1 82 ILE MD . . 8.100 4.052 3.818 4.258 . 0 0 "[ . 1]" 1
335 1 53 LEU QD 1 82 ILE MG . . 8.160 3.887 3.618 4.059 . 0 0 "[ . 1]" 1
336 1 53 LEU MD1 1 57 PHE QD . . 8.460 4.277 3.521 4.981 . 0 0 "[ . 1]" 1
337 1 53 LEU MD1 1 76 ILE MG . . 6.460 4.213 4.075 4.332 . 0 0 "[ . 1]" 1
338 1 53 LEU MD2 1 57 PHE QD . . 8.460 4.250 3.559 4.564 . 0 0 "[ . 1]" 1
339 1 53 LEU MD2 1 76 ILE MG . . 6.470 2.658 2.529 2.758 . 0 0 "[ . 1]" 1
340 1 53 LEU HG 1 54 ASN H . . 5.440 4.009 3.873 4.087 . 0 0 "[ . 1]" 1
341 1 53 LEU HG 1 57 PHE QD . . 5.610 4.137 3.428 4.518 . 0 0 "[ . 1]" 1
342 1 53 LEU O 1 57 PHE H . . 2.000 1.607 1.536 1.655 . 0 0 "[ . 1]" 1
343 1 53 LEU O 1 57 PHE N . . 3.000 2.556 2.497 2.596 . 0 0 "[ . 1]" 1
344 1 54 ASN H 1 55 THR H . . 3.080 2.548 2.512 2.606 . 0 0 "[ . 1]" 1
345 1 54 ASN HA 1 58 ASP H . . 3.660 3.678 3.656 3.708 0.048 10 0 "[ . 1]" 1
346 1 54 ASN O 1 58 ASP H . . 2.000 1.866 1.760 1.951 . 0 0 "[ . 1]" 1
347 1 54 ASN O 1 58 ASP N . . 3.000 2.699 2.589 2.802 . 0 0 "[ . 1]" 1
348 1 55 THR H 1 55 THR HB . . 2.620 2.065 2.037 2.088 . 0 0 "[ . 1]" 1
349 1 55 THR H 1 55 THR MG . . 3.560 2.868 2.837 2.892 . 0 0 "[ . 1]" 1
350 1 55 THR H 1 58 ASP H . . 5.440 4.340 4.263 4.385 . 0 0 "[ . 1]" 1
351 1 55 THR HA 1 55 THR HB . . 2.780 2.773 2.766 2.780 0.000 3 0 "[ . 1]" 1
352 1 55 THR HA 1 55 THR MG . . 3.630 3.093 3.081 3.106 . 0 0 "[ . 1]" 1
353 1 55 THR HA 1 56 TRP H . . 3.580 3.607 3.600 3.611 0.031 8 0 "[ . 1]" 1
354 1 55 THR HA 1 58 ASP HB3 . . 3.330 2.565 2.367 2.696 . 0 0 "[ . 1]" 1
355 1 55 THR MG 1 56 TRP H . . 4.570 2.008 1.919 2.101 . 0 0 "[ . 1]" 1
356 1 55 THR MG 1 58 ASP H . . 6.030 4.736 4.689 4.786 . 0 0 "[ . 1]" 1
357 1 55 THR O 1 59 LYS H . . 2.140 2.159 2.125 2.190 0.050 8 0 "[ . 1]" 1
358 1 55 THR O 1 59 LYS N . . 3.050 3.083 3.062 3.108 0.058 8 0 "[ . 1]" 1
359 1 56 TRP H 1 56 TRP HA . . 2.830 2.829 2.824 2.832 0.002 8 0 "[ . 1]" 1
360 1 56 TRP H 1 57 PHE H . . 3.110 2.563 2.537 2.580 . 0 0 "[ . 1]" 1
361 1 56 TRP HA 1 56 TRP HB3 . . 2.810 2.806 2.802 2.809 . 0 0 "[ . 1]" 1
362 1 56 TRP HE1 1 104 ASN HB3 . . 6.120 5.536 5.034 5.764 . 0 0 "[ . 1]" 1
363 1 56 TRP O 1 60 PHE H . . 2.000 1.693 1.587 1.855 . 0 0 "[ . 1]" 1
364 1 56 TRP O 1 60 PHE N . . 3.000 2.688 2.585 2.843 . 0 0 "[ . 1]" 1
365 1 57 PHE H 1 57 PHE HB3 . . 3.860 2.332 2.294 2.433 . 0 0 "[ . 1]" 1
366 1 57 PHE H 1 58 ASP H . . 3.170 2.681 2.566 2.746 . 0 0 "[ . 1]" 1
367 1 57 PHE H 1 59 LYS H . . 5.500 4.244 4.189 4.274 . 0 0 "[ . 1]" 1
368 1 57 PHE HA 1 58 ASP H . . 3.600 3.590 3.579 3.600 . 0 0 "[ . 1]" 1
369 1 57 PHE HA 1 60 PHE H . . 3.480 3.339 3.277 3.374 . 0 0 "[ . 1]" 1
370 1 57 PHE QD 1 76 ILE MD . . 8.650 3.258 2.633 3.735 . 0 0 "[ . 1]" 1
371 1 57 PHE O 1 61 ASP H . . 2.000 1.692 1.605 1.772 . 0 0 "[ . 1]" 1
372 1 57 PHE O 1 61 ASP N . . 3.000 2.521 2.435 2.596 . 0 0 "[ . 1]" 1
373 1 58 ASP H 1 58 ASP HB3 . . 2.430 2.368 2.310 2.417 . 0 0 "[ . 1]" 1
374 1 58 ASP H 1 59 LYS H . . 2.800 2.672 2.632 2.720 . 0 0 "[ . 1]" 1
375 1 58 ASP HB3 1 59 LYS H . . 2.960 2.531 2.507 2.553 . 0 0 "[ . 1]" 1
376 1 58 ASP O 1 62 ALA H . . 2.620 2.602 2.444 2.669 0.049 3 0 "[ . 1]" 1
377 1 58 ASP O 1 62 ALA N . . 3.470 3.461 3.354 3.508 0.038 3 0 "[ . 1]" 1
378 1 59 LYS H 1 59 LYS HA . . 2.840 2.835 2.829 2.839 . 0 0 "[ . 1]" 1
379 1 59 LYS H 1 59 LYS HG3 . . 4.610 4.604 4.600 4.608 . 0 0 "[ . 1]" 1
380 1 59 LYS H 1 60 PHE H . . 2.580 2.598 2.578 2.622 0.042 6 0 "[ . 1]" 1
381 1 59 LYS H 1 61 ASP H . . 4.140 3.793 3.757 3.821 . 0 0 "[ . 1]" 1
382 1 59 LYS HA 1 59 LYS HG3 . . 4.200 3.604 3.552 3.636 . 0 0 "[ . 1]" 1
383 1 59 LYS HA 1 60 PHE H . . 3.620 3.622 3.619 3.626 0.006 10 0 "[ . 1]" 1
384 1 59 LYS HA 1 62 ALA H . . 3.540 3.542 3.510 3.574 0.034 8 0 "[ . 1]" 1
385 1 59 LYS HA 1 62 ALA MB . . 4.120 3.204 3.065 3.293 . 0 0 "[ . 1]" 1
386 1 59 LYS O 1 63 GLU H . . 2.000 2.004 1.943 2.063 0.063 10 0 "[ . 1]" 1
387 1 59 LYS O 1 63 GLU N . . 3.000 2.970 2.916 3.024 0.024 10 0 "[ . 1]" 1
388 1 60 PHE H 1 60 PHE HA . . 2.740 2.788 2.778 2.798 0.058 8 0 "[ . 1]" 1
389 1 60 PHE H 1 61 ASP H . . 3.140 2.656 2.628 2.681 . 0 0 "[ . 1]" 1
390 1 60 PHE HA 1 63 GLU H . . 4.600 3.021 2.978 3.109 . 0 0 "[ . 1]" 1
391 1 60 PHE HA 1 63 GLU HA . . 4.880 4.877 4.847 4.930 0.050 8 0 "[ . 1]" 1
392 1 60 PHE HB3 1 61 ASP H . . 3.300 3.103 2.967 3.308 0.008 7 0 "[ . 1]" 1
393 1 60 PHE O 1 64 ILE H . . 2.000 1.745 1.679 1.894 . 0 0 "[ . 1]" 1
394 1 60 PHE O 1 64 ILE N . . 3.000 2.582 2.544 2.660 . 0 0 "[ . 1]" 1
395 1 61 ASP H 1 61 ASP HB3 . . 2.390 2.393 2.333 2.416 0.026 1 0 "[ . 1]" 1
396 1 61 ASP H 1 62 ALA H . . 2.860 2.717 2.701 2.737 . 0 0 "[ . 1]" 1
397 1 61 ASP H 1 62 ALA MB . . 5.380 4.308 4.257 4.351 . 0 0 "[ . 1]" 1
398 1 61 ASP HB3 1 62 ALA H . . 2.800 2.591 2.532 2.623 . 0 0 "[ . 1]" 1
399 1 61 ASP O 1 65 CYS H . . 2.000 1.926 1.870 1.970 . 0 0 "[ . 1]" 1
400 1 61 ASP O 1 65 CYS N . . 3.000 2.679 2.626 2.703 . 0 0 "[ . 1]" 1
401 1 62 ALA H 1 62 ALA HA . . 2.860 2.854 2.835 2.863 0.003 1 0 "[ . 1]" 1
402 1 62 ALA H 1 62 ALA MB . . 3.430 2.067 1.969 2.154 . 0 0 "[ . 1]" 1
403 1 62 ALA H 1 63 GLU H . . 2.770 2.478 2.445 2.541 . 0 0 "[ . 1]" 1
404 1 62 ALA H 1 66 ILE MD . . 5.740 4.680 4.665 4.706 . 0 0 "[ . 1]" 1
405 1 62 ALA HA 1 66 ILE HB . . 4.790 4.841 4.827 4.860 0.070 10 0 "[ . 1]" 1
406 1 62 ALA HA 1 66 ILE MD . . 3.490 2.926 2.911 2.960 . 0 0 "[ . 1]" 1
407 1 62 ALA HA 1 66 ILE MG . . 7.120 6.026 6.012 6.051 . 0 0 "[ . 1]" 1
408 1 62 ALA MB 1 63 GLU H . . 3.430 2.637 2.586 2.727 . 0 0 "[ . 1]" 1
409 1 62 ALA MB 1 63 GLU HA . . 6.530 3.736 3.683 3.820 . 0 0 "[ . 1]" 1
410 1 62 ALA MB 1 63 GLU HG3 . . 5.230 4.062 3.994 4.158 . 0 0 "[ . 1]" 1
411 1 62 ALA MB 1 64 ILE H . . 5.880 4.364 4.288 4.402 . 0 0 "[ . 1]" 1
412 1 62 ALA MB 1 65 CYS H . . 6.530 4.261 4.251 4.280 . 0 0 "[ . 1]" 1
413 1 62 ALA MB 1 66 ILE MD . . 5.080 2.370 2.185 2.477 . 0 0 "[ . 1]" 1
414 1 62 ALA O 1 66 ILE H . . 2.000 1.614 1.598 1.624 . 0 0 "[ . 1]" 1
415 1 62 ALA O 1 66 ILE N . . 3.000 2.480 2.468 2.491 . 0 0 "[ . 1]" 1
416 1 63 GLU H 1 63 GLU HA . . 2.770 2.768 2.764 2.772 0.002 8 0 "[ . 1]" 1
417 1 63 GLU H 1 63 GLU HB3 . . 3.380 3.389 3.379 3.395 0.015 9 0 "[ . 1]" 1
418 1 63 GLU H 1 63 GLU HG3 . . 3.790 3.129 3.108 3.166 . 0 0 "[ . 1]" 1
419 1 63 GLU H 1 64 ILE H . . 2.860 2.645 2.632 2.658 . 0 0 "[ . 1]" 1
420 1 63 GLU H 1 64 ILE HB . . 4.560 4.578 4.549 4.605 0.045 9 0 "[ . 1]" 1
421 1 63 GLU H 1 65 CYS H . . 3.980 3.869 3.826 3.965 . 0 0 "[ . 1]" 1
422 1 63 GLU HA 1 63 GLU HB3 . . 2.790 2.781 2.776 2.789 . 0 0 "[ . 1]" 1
423 1 63 GLU HA 1 63 GLU HG3 . . 2.960 2.952 2.941 2.967 0.007 1 0 "[ . 1]" 1
424 1 63 GLU HA 1 64 ILE H . . 3.550 3.548 3.521 3.562 0.012 5 0 "[ . 1]" 1
425 1 63 GLU HB3 1 63 GLU HG3 . . 3.010 3.015 3.011 3.018 0.008 3 0 "[ . 1]" 1
426 1 63 GLU HB3 1 64 ILE HG13 . . 7.250 4.945 4.748 5.134 . 0 0 "[ . 1]" 1
427 1 63 GLU HG3 1 64 ILE H . . 5.500 5.103 5.076 5.149 . 0 0 "[ . 1]" 1
428 1 64 ILE H 1 64 ILE HB . . 2.710 2.167 2.152 2.189 . 0 0 "[ . 1]" 1
429 1 64 ILE H 1 64 ILE MD . . 5.100 4.277 4.239 4.336 . 0 0 "[ . 1]" 1
430 1 64 ILE H 1 64 ILE MG . . 4.200 3.517 3.480 3.548 . 0 0 "[ . 1]" 1
431 1 64 ILE H 1 65 CYS H . . 2.620 2.204 2.193 2.212 . 0 0 "[ . 1]" 1
432 1 64 ILE H 1 66 ILE H . . 4.880 3.637 3.571 3.671 . 0 0 "[ . 1]" 1
433 1 64 ILE H 1 67 PRO HD3 . . 5.500 4.445 4.396 4.475 . 0 0 "[ . 1]" 1
434 1 64 ILE HA 1 64 ILE HB . . 2.960 2.972 2.963 2.981 0.021 10 0 "[ . 1]" 1
435 1 64 ILE HA 1 64 ILE MD . . 3.430 2.511 2.319 2.708 . 0 0 "[ . 1]" 1
436 1 64 ILE HA 1 64 ILE MG . . 3.430 2.652 2.618 2.686 . 0 0 "[ . 1]" 1
437 1 64 ILE HA 1 68 ASN QD . . 6.370 4.195 3.920 4.304 . 0 0 "[ . 1]" 1
438 1 64 ILE HB 1 65 CYS H . . 3.190 3.168 3.108 3.200 0.010 1 0 "[ . 1]" 1
439 1 64 ILE MD 1 93 VAL MG1 . . 7.560 5.171 5.050 5.200 . 0 0 "[ . 1]" 1
440 1 64 ILE MD 1 93 VAL MG2 . . 7.560 3.018 2.881 3.082 . 0 0 "[ . 1]" 1
441 1 64 ILE MD 1 96 LYS H . . 6.530 4.632 4.587 4.662 . 0 0 "[ . 1]" 1
442 1 64 ILE MD 1 96 LYS HA . . 4.620 3.902 3.871 3.915 . 0 0 "[ . 1]" 1
443 1 64 ILE MD 1 96 LYS HB3 . . 3.580 2.701 2.631 2.780 . 0 0 "[ . 1]" 1
444 1 64 ILE MD 1 97 VAL H . . 6.340 3.698 3.549 3.786 . 0 0 "[ . 1]" 1
445 1 64 ILE MD 1 97 VAL HA . . 3.430 2.280 2.183 2.444 . 0 0 "[ . 1]" 1
446 1 64 ILE MD 1 97 VAL HB . . 6.530 4.282 4.090 4.396 . 0 0 "[ . 1]" 1
447 1 64 ILE MD 1 97 VAL MG1 . . 7.560 4.025 3.953 4.134 . 0 0 "[ . 1]" 1
448 1 64 ILE MD 1 97 VAL QG . . 6.020 2.324 2.004 2.492 . 0 0 "[ . 1]" 1
449 1 64 ILE MD 1 97 VAL MG2 . . 7.560 2.340 2.009 2.512 . 0 0 "[ . 1]" 1
450 1 64 ILE MD 1 98 LYS H . . 6.370 5.072 4.935 5.164 . 0 0 "[ . 1]" 1
451 1 64 ILE MD 1 100 PHE H . . 4.490 3.655 3.520 3.696 . 0 0 "[ . 1]" 1
452 1 64 ILE MD 1 100 PHE HB3 . . 4.230 2.487 2.173 2.573 . 0 0 "[ . 1]" 1
453 1 64 ILE MD 1 100 PHE QE . . 5.770 4.230 4.129 4.359 . 0 0 "[ . 1]" 1
454 1 64 ILE MD 1 101 VAL H . . 5.750 4.690 4.586 4.757 . 0 0 "[ . 1]" 1
455 1 64 ILE MG 1 65 CYS H . . 4.510 3.318 3.244 3.391 . 0 0 "[ . 1]" 1
456 1 64 ILE MG 1 65 CYS HA . . 5.040 3.301 3.255 3.360 . 0 0 "[ . 1]" 1
457 1 64 ILE MG 1 68 ASN HD21 . . 4.790 3.198 2.989 3.844 . 0 0 "[ . 1]" 1
458 1 64 ILE MG 1 68 ASN HD22 . . 4.790 2.041 1.874 2.662 . 0 0 "[ . 1]" 1
459 1 64 ILE MG 1 72 ILE MD . . 4.460 2.770 2.490 2.948 . 0 0 "[ . 1]" 1
460 1 64 ILE MG 1 72 ILE MG . . 6.210 4.023 3.930 4.100 . 0 0 "[ . 1]" 1
461 1 64 ILE MG 1 84 LEU QD . . 8.660 3.904 3.684 4.093 . 0 0 "[ . 1]" 1
462 1 64 ILE MG 1 84 LEU HG . . 6.530 5.055 4.783 5.335 . 0 0 "[ . 1]" 1
463 1 64 ILE MG 1 86 LEU MD1 . . 7.560 4.068 3.990 4.232 . 0 0 "[ . 1]" 1
464 1 64 ILE MG 1 86 LEU MD2 . . 7.560 4.028 3.902 4.215 . 0 0 "[ . 1]" 1
465 1 64 ILE MG 1 86 LEU HG . . 7.350 6.222 6.174 6.262 . 0 0 "[ . 1]" 1
466 1 64 ILE MG 1 93 VAL MG1 . . 7.560 4.243 4.168 4.281 . 0 0 "[ . 1]" 1
467 1 64 ILE MG 1 93 VAL QG . . 6.050 1.969 1.889 2.023 . 0 0 "[ . 1]" 1
468 1 64 ILE MG 1 93 VAL MG2 . . 7.560 1.972 1.892 2.026 . 0 0 "[ . 1]" 1
469 1 64 ILE MG 1 97 VAL H . . 5.610 4.579 4.531 4.622 . 0 0 "[ . 1]" 1
470 1 64 ILE MG 1 97 VAL HB . . 6.530 4.685 4.618 4.768 . 0 0 "[ . 1]" 1
471 1 64 ILE MG 1 97 VAL MG1 . . 7.560 4.416 4.307 4.583 . 0 0 "[ . 1]" 1
472 1 64 ILE MG 1 97 VAL QG . . 6.010 2.282 2.201 2.452 . 0 0 "[ . 1]" 1
473 1 64 ILE MG 1 97 VAL MG2 . . 7.560 2.289 2.208 2.462 . 0 0 "[ . 1]" 1
474 1 64 ILE MG 1 100 PHE QE . . 6.880 4.581 4.302 4.993 . 0 0 "[ . 1]" 1
475 1 64 ILE O 1 68 ASN H . . 3.070 3.060 3.041 3.085 0.015 10 0 "[ . 1]" 1
476 1 64 ILE O 1 68 ASN N . . 3.420 3.410 3.396 3.429 0.009 8 0 "[ . 1]" 1
477 1 65 CYS H 1 65 CYS HA . . 2.850 2.848 2.846 2.849 . 0 0 "[ . 1]" 1
478 1 65 CYS H 1 66 ILE H . . 3.240 2.357 2.350 2.362 . 0 0 "[ . 1]" 1
479 1 65 CYS H 1 66 ILE HB . . 4.630 4.108 4.101 4.115 . 0 0 "[ . 1]" 1
480 1 65 CYS H 1 66 ILE MD . . 4.720 3.717 3.692 3.738 . 0 0 "[ . 1]" 1
481 1 65 CYS H 1 67 PRO HD3 . . 4.170 4.178 4.156 4.204 0.034 10 0 "[ . 1]" 1
482 1 65 CYS HA 1 68 ASN H . . 3.450 3.252 3.225 3.287 . 0 0 "[ . 1]" 1
483 1 65 CYS HA 1 72 ILE MD . . 6.500 3.054 2.732 3.208 . 0 0 "[ . 1]" 1
484 1 65 CYS HA 1 72 ILE MG . . 4.760 3.725 3.472 3.856 . 0 0 "[ . 1]" 1
485 1 66 ILE H 1 66 ILE HA . . 2.760 2.765 2.761 2.771 0.011 9 0 "[ . 1]" 1
486 1 66 ILE H 1 66 ILE HB . . 2.900 2.024 2.022 2.027 . 0 0 "[ . 1]" 1
487 1 66 ILE H 1 66 ILE MD . . 3.830 2.242 2.225 2.259 . 0 0 "[ . 1]" 1
488 1 66 ILE H 1 66 ILE HG13 . . 4.110 4.093 4.077 4.108 . 0 0 "[ . 1]" 1
489 1 66 ILE H 1 66 ILE MG . . 4.070 3.432 3.426 3.440 . 0 0 "[ . 1]" 1
490 1 66 ILE H 1 67 PRO HD3 . . 3.170 2.581 2.568 2.602 . 0 0 "[ . 1]" 1
491 1 66 ILE H 1 68 ASN H . . 5.440 3.725 3.719 3.733 . 0 0 "[ . 1]" 1
492 1 66 ILE HA 1 66 ILE HB . . 2.910 2.913 2.911 2.916 0.006 2 0 "[ . 1]" 1
493 1 66 ILE HA 1 66 ILE HG13 . . 2.400 2.420 2.389 2.435 0.035 5 0 "[ . 1]" 1
494 1 66 ILE HA 1 66 ILE MG . . 3.430 2.832 2.804 2.845 . 0 0 "[ . 1]" 1
495 1 66 ILE HA 1 68 ASN H . . 3.670 3.646 3.629 3.662 . 0 0 "[ . 1]" 1
496 1 66 ILE MD 1 67 PRO HD3 . . 4.850 3.929 3.921 3.940 . 0 0 "[ . 1]" 1
497 1 66 ILE MG 1 67 PRO HA . . 6.530 3.006 2.959 3.078 . 0 0 "[ . 1]" 1
498 1 66 ILE MG 1 67 PRO HD3 . . 3.860 1.939 1.916 1.966 . 0 0 "[ . 1]" 1
499 1 66 ILE MG 1 68 ASN H . . 5.060 4.074 4.043 4.112 . 0 0 "[ . 1]" 1
500 1 67 PRO HA 1 69 GLU H . . 6.080 6.086 6.074 6.092 0.012 8 0 "[ . 1]" 1
501 1 67 PRO HB3 1 68 ASN H . . 4.620 4.620 4.615 4.628 0.008 9 0 "[ . 1]" 1
502 1 67 PRO HD3 1 68 ASN HD21 . . 6.570 6.283 5.057 6.597 0.027 3 0 "[ . 1]" 1
503 1 67 PRO HD3 1 68 ASN HD22 . . 6.570 6.213 5.772 6.336 . 0 0 "[ . 1]" 1
504 1 67 PRO HD3 1 93 VAL MG1 . . 10.000 8.388 8.372 8.406 . 0 0 "[ . 1]" 1
505 1 67 PRO HD3 1 93 VAL MG2 . . 8.280 6.238 6.183 6.384 . 0 0 "[ . 1]" 1
506 1 68 ASN H 1 68 ASN HA . . 2.890 2.892 2.886 2.895 0.005 5 0 "[ . 1]" 1
507 1 68 ASN H 1 68 ASN QD . . 5.320 3.682 2.614 3.956 . 0 0 "[ . 1]" 1
508 1 68 ASN H 1 69 GLU H . . 4.560 4.563 4.558 4.572 0.012 10 0 "[ . 1]" 1
509 1 68 ASN HA 1 69 GLU H . . 2.860 2.354 2.350 2.358 . 0 0 "[ . 1]" 1
510 1 68 ASN HB3 1 72 ILE MD . . 5.190 4.064 3.927 4.167 . 0 0 "[ . 1]" 1
511 1 68 ASN HB3 1 72 ILE MG . . 3.480 2.893 2.767 2.987 . 0 0 "[ . 1]" 1
512 1 68 ASN HB3 1 90 ILE MD . . 4.940 3.815 3.691 3.929 . 0 0 "[ . 1]" 1
513 1 68 ASN QD 1 72 ILE HB . . 6.370 4.377 3.921 5.839 . 0 0 "[ . 1]" 1
514 1 68 ASN QD 1 72 ILE MD . . 7.340 2.472 1.919 4.230 . 0 0 "[ . 1]" 1
515 1 68 ASN QD 1 72 ILE MG . . 6.250 2.561 1.992 4.062 . 0 0 "[ . 1]" 1
516 1 68 ASN QD 1 93 VAL QG . . 4.050 1.701 1.666 1.836 . 0 0 "[ . 1]" 1
517 1 68 ASN HD21 1 93 VAL MG1 . . 5.250 4.292 4.182 4.484 . 0 0 "[ . 1]" 1
518 1 68 ASN HD21 1 93 VAL MG2 . . 5.250 2.833 2.678 3.347 . 0 0 "[ . 1]" 1
519 1 68 ASN HD22 1 93 VAL MG1 . . 5.250 3.810 3.691 3.860 . 0 0 "[ . 1]" 1
520 1 68 ASN HD22 1 93 VAL MG2 . . 5.250 1.720 1.685 1.850 . 0 0 "[ . 1]" 1
521 1 69 GLU H 1 69 GLU HA . . 2.910 2.915 2.912 2.918 0.008 10 0 "[ . 1]" 1
522 1 69 GLU H 1 93 VAL QG . . 8.090 4.481 4.426 4.561 . 0 0 "[ . 1]" 1
523 1 71 HIS H 1 72 ILE MG . . 5.030 3.975 3.890 4.050 . 0 0 "[ . 1]" 1
524 1 71 HIS HA 1 72 ILE H . . 2.740 2.337 2.315 2.354 . 0 0 "[ . 1]" 1
525 1 71 HIS HB3 1 72 ILE H . . 3.550 2.823 2.778 2.892 . 0 0 "[ . 1]" 1
526 1 71 HIS HB3 1 90 ILE MD . . 5.910 4.885 4.856 4.895 . 0 0 "[ . 1]" 1
527 1 72 ILE H 1 72 ILE HA . . 2.900 2.911 2.902 2.917 0.017 1 0 "[ . 1]" 1
528 1 72 ILE H 1 72 ILE HB . . 3.910 3.917 3.899 3.937 0.027 4 0 "[ . 1]" 1
529 1 72 ILE H 1 72 ILE MG . . 3.500 2.678 2.504 2.775 . 0 0 "[ . 1]" 1
530 1 72 ILE H 1 73 LYS H . . 4.310 4.348 4.320 4.375 0.065 5 0 "[ . 1]" 1
531 1 72 ILE H 1 90 ILE MD . . 6.530 4.172 4.086 4.248 . 0 0 "[ . 1]" 1
532 1 72 ILE HA 1 72 ILE HB . . 2.550 2.283 2.249 2.324 . 0 0 "[ . 1]" 1
533 1 72 ILE HA 1 73 LYS H . . 2.400 2.280 2.245 2.320 . 0 0 "[ . 1]" 1
534 1 72 ILE HA 1 87 ASP H . . 4.450 4.262 4.153 4.329 . 0 0 "[ . 1]" 1
535 1 72 ILE HB 1 72 ILE MD . . 3.430 2.400 2.316 2.488 . 0 0 "[ . 1]" 1
536 1 72 ILE HB 1 84 LEU QD . . 6.670 3.494 3.290 3.665 . 0 0 "[ . 1]" 1
537 1 72 ILE MD 1 73 LYS H . . 5.810 4.635 4.490 4.809 . 0 0 "[ . 1]" 1
538 1 72 ILE MD 1 84 LEU QD . . 5.990 3.436 3.157 3.575 . 0 0 "[ . 1]" 1
539 1 72 ILE HG13 1 84 LEU QD . . 7.630 3.808 3.508 4.082 . 0 0 "[ . 1]" 1
540 1 72 ILE MG 1 73 LYS H . . 5.010 4.208 4.127 4.304 . 0 0 "[ . 1]" 1
541 1 72 ILE MG 1 84 LEU QD . . 7.180 4.292 4.170 4.414 . 0 0 "[ . 1]" 1
542 1 73 LYS H 1 74 TYR H . . 4.410 4.407 4.375 4.434 0.024 9 0 "[ . 1]" 1
543 1 73 LYS H 1 84 LEU QD . . 7.230 3.761 3.363 4.081 . 0 0 "[ . 1]" 1
544 1 73 LYS H 1 85 MET H . . 3.760 3.822 3.746 3.887 0.127 8 0 "[ . 1]" 1
545 1 73 LYS H 1 85 MET O . . 2.150 2.233 2.151 2.312 0.162 10 0 "[ . 1]" 1
546 1 73 LYS H 1 86 LEU HA . . 3.660 3.693 3.645 3.786 0.126 9 0 "[ . 1]" 1
547 1 73 LYS H 1 86 LEU QD . . 5.270 2.985 2.787 3.137 . 0 0 "[ . 1]" 1
548 1 73 LYS HB3 1 74 TYR H . . 4.010 4.221 3.966 4.328 0.318 6 0 "[ . 1]" 1
549 1 73 LYS N 1 85 MET O . . 3.110 3.215 3.120 3.302 0.192 10 0 "[ . 1]" 1
550 1 73 LYS O 1 85 MET H . . 2.000 1.991 1.896 2.067 0.067 4 0 "[ . 1]" 1
551 1 73 LYS O 1 85 MET N . . 3.000 2.922 2.807 3.040 0.040 4 0 "[ . 1]" 1
552 1 74 TYR H 1 84 LEU QD . . 6.980 4.329 4.065 4.516 . 0 0 "[ . 1]" 1
553 1 74 TYR H 1 85 MET H . . 4.850 4.862 4.791 4.979 0.129 4 0 "[ . 1]" 1
554 1 74 TYR HA 1 74 TYR HB3 . . 3.020 2.402 2.383 2.435 . 0 0 "[ . 1]" 1
555 1 74 TYR HA 1 75 GLU H . . 2.400 2.406 2.374 2.439 0.039 10 0 "[ . 1]" 1
556 1 74 TYR HA 1 83 VAL QG . . 7.370 3.586 3.468 3.701 . 0 0 "[ . 1]" 1
557 1 74 TYR HA 1 84 LEU QD . . 5.650 2.838 2.571 3.022 . 0 0 "[ . 1]" 1
558 1 74 TYR HA 1 85 MET H . . 3.610 2.780 2.675 2.984 . 0 0 "[ . 1]" 1
559 1 74 TYR HB3 1 75 GLU H . . 3.720 3.721 3.666 3.775 0.055 4 0 "[ . 1]" 1
560 1 74 TYR HB3 1 82 ILE MG . . 6.530 5.106 5.015 5.239 . 0 0 "[ . 1]" 1
561 1 74 TYR HB3 1 84 LEU QD . . 5.460 1.929 1.766 2.080 . 0 0 "[ . 1]" 1
562 1 74 TYR HB3 1 85 MET H . . 5.500 3.946 3.747 4.252 . 0 0 "[ . 1]" 1
563 1 74 TYR QD 1 75 GLU H . . 7.640 4.033 3.768 4.239 . 0 0 "[ . 1]" 1
564 1 74 TYR QD 1 76 ILE MD . . 6.870 4.371 3.968 4.759 . 0 0 "[ . 1]" 1
565 1 74 TYR QD 1 84 LEU QD . . 6.830 3.004 2.807 3.177 . 0 0 "[ . 1]" 1
566 1 75 GLU H 1 75 GLU HB3 . . 3.200 3.256 3.222 3.309 0.109 4 0 "[ . 1]" 1
567 1 75 GLU H 1 82 ILE MG . . 6.530 3.935 3.811 4.254 . 0 0 "[ . 1]" 1
568 1 75 GLU H 1 83 VAL H . . 3.860 2.906 2.782 3.082 . 0 0 "[ . 1]" 1
569 1 75 GLU H 1 83 VAL QG . . 6.100 2.196 1.996 2.301 . 0 0 "[ . 1]" 1
570 1 75 GLU H 1 83 VAL O . . 2.000 1.917 1.712 2.013 0.013 4 0 "[ . 1]" 1
571 1 75 GLU H 1 84 LEU QD . . 7.630 3.621 3.403 3.781 . 0 0 "[ . 1]" 1
572 1 75 GLU N 1 83 VAL O . . 3.000 2.900 2.704 3.001 0.001 6 0 "[ . 1]" 1
573 1 75 GLU O 1 83 VAL H . . 2.000 1.783 1.622 1.960 . 0 0 "[ . 1]" 1
574 1 75 GLU O 1 83 VAL N . . 3.000 2.722 2.565 2.856 . 0 0 "[ . 1]" 1
575 1 76 ILE HA 1 83 VAL H . . 3.720 3.488 3.336 3.749 0.029 9 0 "[ . 1]" 1
576 1 76 ILE HA 1 83 VAL QG . . 7.060 4.302 3.977 4.650 . 0 0 "[ . 1]" 1
577 1 76 ILE HB 1 76 ILE MD . . 3.220 2.510 2.337 2.636 . 0 0 "[ . 1]" 1
578 1 76 ILE HB 1 77 SER H . . 4.460 4.493 4.409 4.606 0.146 9 0 "[ . 1]" 1
579 1 76 ILE MD 1 82 ILE MD . . 6.350 4.263 4.221 4.315 . 0 0 "[ . 1]" 1
580 1 76 ILE MD 1 82 ILE MG . . 7.560 2.145 1.883 2.693 . 0 0 "[ . 1]" 1
581 1 76 ILE MG 1 77 SER H . . 4.110 3.038 2.821 3.215 . 0 0 "[ . 1]" 1
582 1 76 ILE MG 1 82 ILE MD . . 6.940 3.784 3.409 4.203 . 0 0 "[ . 1]" 1
583 1 77 SER H 1 81 LEU H . . 2.900 2.886 2.802 2.933 0.033 3 0 "[ . 1]" 1
584 1 77 SER H 1 81 LEU O . . 2.000 1.528 1.489 1.653 . 0 0 "[ . 1]" 1
585 1 77 SER H 1 82 ILE HA . . 3.240 3.257 3.189 3.334 0.094 6 0 "[ . 1]" 1
586 1 77 SER N 1 81 LEU O . . 3.000 2.524 2.477 2.652 . 0 0 "[ . 1]" 1
587 1 77 SER O 1 81 LEU H . . 2.280 2.023 1.952 2.139 . 0 0 "[ . 1]" 1
588 1 77 SER O 1 81 LEU N . . 3.170 2.979 2.915 3.085 . 0 0 "[ . 1]" 1
589 1 78 SER HA 1 78 SER HB3 . . 2.530 2.464 2.377 2.538 0.008 2 0 "[ . 1]" 1
590 1 78 SER HB3 1 81 LEU QD . . 11.520 8.429 8.327 8.528 . 0 0 "[ . 1]" 1
591 1 79 ASP HA 1 81 LEU H . . 5.350 5.363 5.343 5.388 0.038 5 0 "[ . 1]" 1
592 1 80 GLY H 1 81 LEU H . . 3.550 2.005 1.897 2.104 . 0 0 "[ . 1]" 1
593 1 80 GLY H 1 82 ILE MD . . 6.530 4.626 4.317 5.001 . 0 0 "[ . 1]" 1
594 1 81 LEU H 1 81 LEU HB3 . . 3.100 3.124 3.105 3.138 0.038 3 0 "[ . 1]" 1
595 1 81 LEU H 1 82 ILE MD . . 6.470 3.546 3.300 3.895 . 0 0 "[ . 1]" 1
596 1 81 LEU HA 1 82 ILE H . . 2.620 2.181 2.176 2.189 . 0 0 "[ . 1]" 1
597 1 81 LEU QD 1 82 ILE H . . 5.120 2.803 2.063 3.479 . 0 0 "[ . 1]" 1
598 1 82 ILE H 1 82 ILE HB . . 2.690 2.729 2.675 2.782 0.092 3 0 "[ . 1]" 1
599 1 82 ILE H 1 82 ILE MD . . 5.040 2.110 1.937 2.504 . 0 0 "[ . 1]" 1
600 1 82 ILE H 1 82 ILE HG13 . . 5.500 3.230 2.967 3.508 . 0 0 "[ . 1]" 1
601 1 82 ILE H 1 83 VAL HB . . 5.320 4.852 4.726 4.932 . 0 0 "[ . 1]" 1
602 1 82 ILE HB 1 83 VAL H . . 4.160 4.148 4.095 4.242 0.082 8 0 "[ . 1]" 1
603 1 82 ILE MD 1 83 VAL H . . 6.530 5.068 4.967 5.183 . 0 0 "[ . 1]" 1
604 1 82 ILE MG 1 83 VAL H . . 3.460 2.427 2.360 2.495 . 0 0 "[ . 1]" 1
605 1 82 ILE MG 1 83 VAL HB . . 6.160 4.934 4.807 4.981 . 0 0 "[ . 1]" 1
606 1 82 ILE MG 1 84 LEU H . . 6.530 4.864 4.735 5.037 . 0 0 "[ . 1]" 1
607 1 83 VAL H 1 83 VAL HB . . 3.060 3.098 2.815 3.213 0.153 2 0 "[ . 1]" 1
608 1 83 VAL H 1 84 LEU H . . 5.250 4.403 4.390 4.413 . 0 0 "[ . 1]" 1
609 1 83 VAL HA 1 84 LEU H . . 2.400 2.282 2.263 2.293 . 0 0 "[ . 1]" 1
610 1 83 VAL QG 1 84 LEU H . . 5.000 2.124 1.995 2.331 . 0 0 "[ . 1]" 1
611 1 83 VAL MG1 1 84 LEU H . . 6.530 3.801 3.357 3.928 . 0 0 "[ . 1]" 1
612 1 83 VAL MG2 1 84 LEU H . . 6.530 2.137 2.001 2.378 . 0 0 "[ . 1]" 1
613 1 84 LEU H 1 84 LEU HB3 . . 3.240 2.947 2.871 3.074 . 0 0 "[ . 1]" 1
614 1 84 LEU H 1 84 LEU HG . . 5.500 4.853 4.777 4.911 . 0 0 "[ . 1]" 1
615 1 84 LEU H 1 85 MET H . . 4.340 4.344 4.266 4.397 0.057 3 0 "[ . 1]" 1
616 1 84 LEU H 1 85 MET HA . . 4.760 4.745 4.676 4.809 0.049 3 0 "[ . 1]" 1
617 1 84 LEU H 1 85 MET ME . . 4.110 2.910 2.750 3.036 . 0 0 "[ . 1]" 1
618 1 84 LEU HB3 1 85 MET ME . . 5.290 4.215 4.059 4.270 . 0 0 "[ . 1]" 1
619 1 84 LEU HB3 1 86 LEU MD1 . . 9.670 3.825 3.579 4.033 . 0 0 "[ . 1]" 1
620 1 84 LEU HB3 1 86 LEU MD2 . . 9.670 4.428 4.163 4.665 . 0 0 "[ . 1]" 1
621 1 84 LEU QD 1 85 MET H . . 5.280 2.320 2.130 2.555 . 0 0 "[ . 1]" 1
622 1 84 LEU QD 1 86 LEU H . . 7.350 3.736 3.508 3.977 . 0 0 "[ . 1]" 1
623 1 84 LEU QD 1 86 LEU MD1 . . 8.660 2.118 1.859 2.716 . 0 0 "[ . 1]" 1
624 1 84 LEU QD 1 86 LEU MD2 . . 8.660 1.777 1.699 1.861 . 0 0 "[ . 1]" 1
625 1 84 LEU QD 1 97 VAL QG . . 10.220 2.043 1.784 2.484 . 0 0 "[ . 1]" 1
626 1 84 LEU QD 1 100 PHE QE . . 7.580 3.731 3.527 3.977 . 0 0 "[ . 1]" 1
627 1 84 LEU HG 1 85 MET ME . . 6.410 5.221 4.974 5.340 . 0 0 "[ . 1]" 1
628 1 84 LEU HG 1 97 VAL MG1 . . 3.430 2.093 1.945 2.449 . 0 0 "[ . 1]" 1
629 1 84 LEU HG 1 97 VAL MG2 . . 3.430 2.536 2.290 2.640 . 0 0 "[ . 1]" 1
630 1 84 LEU HG 1 100 PHE QE . . 6.540 4.361 4.094 4.504 . 0 0 "[ . 1]" 1
631 1 85 MET H 1 85 MET HA . . 2.920 2.920 2.919 2.922 0.002 8 0 "[ . 1]" 1
632 1 85 MET H 1 86 LEU H . . 4.280 4.288 4.258 4.332 0.052 5 0 "[ . 1]" 1
633 1 85 MET H 1 86 LEU QD . . 5.680 3.346 3.134 3.469 . 0 0 "[ . 1]" 1
634 1 85 MET HA 1 86 LEU H . . 2.400 2.204 2.202 2.211 . 0 0 "[ . 1]" 1
635 1 85 MET ME 1 86 LEU QD . . 7.750 4.464 4.282 4.540 . 0 0 "[ . 1]" 1
636 1 85 MET ME 1 97 VAL HB . . 10.030 8.145 8.018 8.235 . 0 0 "[ . 1]" 1
637 1 85 MET ME 1 97 VAL MG1 . . 8.920 5.906 5.762 5.997 . 0 0 "[ . 1]" 1
638 1 85 MET ME 1 97 VAL QG . . 9.010 5.396 5.261 5.487 . 0 0 "[ . 1]" 1
639 1 85 MET ME 1 97 VAL MG2 . . 9.360 6.243 6.079 6.374 . 0 0 "[ . 1]" 1
640 1 86 LEU H 1 86 LEU MD1 . . 5.850 4.004 3.808 4.140 . 0 0 "[ . 1]" 1
641 1 86 LEU H 1 86 LEU QD . . 4.530 3.423 3.374 3.486 . 0 0 "[ . 1]" 1
642 1 86 LEU H 1 86 LEU MD2 . . 5.850 3.728 3.602 3.850 . 0 0 "[ . 1]" 1
643 1 86 LEU H 1 86 LEU HG . . 3.090 2.813 2.630 2.965 . 0 0 "[ . 1]" 1
644 1 86 LEU H 1 87 ASP H . . 4.390 4.425 4.378 4.449 0.059 5 0 "[ . 1]" 1
645 1 86 LEU HA 1 87 ASP H . . 2.680 2.294 2.232 2.346 . 0 0 "[ . 1]" 1
646 1 86 LEU QD 1 90 ILE HB . . 6.330 4.244 4.097 4.353 . 0 0 "[ . 1]" 1
647 1 86 LEU QD 1 90 ILE MD . . 6.030 2.074 1.915 2.235 . 0 0 "[ . 1]" 1
648 1 86 LEU QD 1 91 GLU HA . . 6.180 4.086 3.988 4.208 . 0 0 "[ . 1]" 1
649 1 86 LEU QD 1 93 VAL H . . 5.990 3.861 3.784 3.928 . 0 0 "[ . 1]" 1
650 1 86 LEU QD 1 93 VAL HB . . 5.000 3.465 3.368 3.567 . 0 0 "[ . 1]" 1
651 1 86 LEU QD 1 93 VAL QG . . 6.300 1.517 1.479 1.585 . 0 0 "[ . 1]" 1
652 1 86 LEU QD 1 94 VAL H . . 5.590 2.476 2.408 2.578 . 0 0 "[ . 1]" 1
653 1 86 LEU QD 1 94 VAL HA . . 4.970 1.818 1.791 1.864 . 0 0 "[ . 1]" 1
654 1 86 LEU QD 1 94 VAL HB . . 5.740 2.936 2.829 3.085 . 0 0 "[ . 1]" 1
655 1 86 LEU QD 1 97 VAL QG . . 8.810 1.880 1.809 2.006 . 0 0 "[ . 1]" 1
656 1 86 LEU MD1 1 91 GLU HA . . 6.530 4.168 4.053 4.315 . 0 0 "[ . 1]" 1
657 1 86 LEU MD1 1 93 VAL MG1 . . 8.490 1.723 1.697 1.812 . 0 0 "[ . 1]" 1
658 1 86 LEU MD1 1 93 VAL MG2 . . 8.490 1.954 1.882 2.333 . 0 0 "[ . 1]" 1
659 1 86 LEU MD1 1 94 VAL HA . . 6.530 1.820 1.793 1.866 . 0 0 "[ . 1]" 1
660 1 86 LEU MD1 1 97 VAL MG1 . . 10.680 2.952 2.861 3.030 . 0 0 "[ . 1]" 1
661 1 86 LEU MD1 1 97 VAL MG2 . . 10.680 1.938 1.850 2.092 . 0 0 "[ . 1]" 1
662 1 86 LEU MD2 1 91 GLU HA . . 7.040 5.885 5.840 5.928 . 0 0 "[ . 1]" 1
663 1 86 LEU MD2 1 93 VAL MG1 . . 8.490 1.974 1.905 2.093 . 0 0 "[ . 1]" 1
664 1 86 LEU MD2 1 93 VAL MG2 . . 8.490 2.295 1.993 2.478 . 0 0 "[ . 1]" 1
665 1 86 LEU MD2 1 94 VAL HA . . 6.530 4.385 4.256 4.460 . 0 0 "[ . 1]" 1
666 1 86 LEU MD2 1 97 VAL MG1 . . 10.680 4.275 4.147 4.414 . 0 0 "[ . 1]" 1
667 1 86 LEU MD2 1 97 VAL MG2 . . 10.680 2.826 2.629 3.031 . 0 0 "[ . 1]" 1
668 1 86 LEU HG 1 93 VAL QG . . 4.990 3.343 3.233 3.444 . 0 0 "[ . 1]" 1
669 1 86 LEU HG 1 94 VAL H . . 5.500 5.384 5.299 5.521 0.021 6 0 "[ . 1]" 1
670 1 86 LEU HG 1 94 VAL HA . . 5.500 4.068 3.980 4.247 . 0 0 "[ . 1]" 1
671 1 86 LEU HG 1 94 VAL QG . . 5.580 3.410 3.273 3.481 . 0 0 "[ . 1]" 1
672 1 86 LEU HG 1 97 VAL QG . . 5.730 3.547 3.423 3.695 . 0 0 "[ . 1]" 1
673 1 87 ASP H 1 87 ASP HB3 . . 3.420 3.436 3.346 3.529 0.109 6 0 "[ . 1]" 1
674 1 87 ASP H 1 88 LYS H . . 4.600 4.593 4.574 4.620 0.020 6 0 "[ . 1]" 1
675 1 87 ASP H 1 90 ILE H . . 4.420 3.968 3.878 4.087 . 0 0 "[ . 1]" 1
676 1 87 ASP H 1 90 ILE MD . . 3.580 1.984 1.909 2.139 . 0 0 "[ . 1]" 1
677 1 87 ASP H 1 90 ILE MG . . 5.260 3.690 3.600 3.781 . 0 0 "[ . 1]" 1
678 1 87 ASP HA 1 88 LYS H . . 2.620 2.571 2.441 2.610 . 0 0 "[ . 1]" 1
679 1 87 ASP HB3 1 88 LYS H . . 4.820 2.514 2.338 2.833 . 0 0 "[ . 1]" 1
680 1 87 ASP HB3 1 89 GLU H . . 3.950 2.530 2.087 3.409 . 0 0 "[ . 1]" 1
681 1 88 LYS H 1 88 LYS HB3 . . 2.490 2.503 2.429 2.759 0.269 1 0 "[ . 1]" 1
682 1 88 LYS H 1 89 GLU H . . 2.960 2.515 2.445 2.651 . 0 0 "[ . 1]" 1
683 1 88 LYS HA 1 91 GLU HB3 . . 4.910 4.314 4.233 4.448 . 0 0 "[ . 1]" 1
684 1 89 GLU H 1 89 GLU HA . . 2.780 2.789 2.770 2.819 0.039 9 0 "[ . 1]" 1
685 1 89 GLU H 1 90 ILE H . . 2.900 2.622 2.531 2.671 . 0 0 "[ . 1]" 1
686 1 89 GLU H 1 90 ILE MD . . 6.520 5.438 5.367 5.471 . 0 0 "[ . 1]" 1
687 1 89 GLU H 1 90 ILE MG . . 6.000 3.957 3.862 4.028 . 0 0 "[ . 1]" 1
688 1 89 GLU HA 1 89 GLU HB3 . . 2.550 2.445 2.406 2.508 . 0 0 "[ . 1]" 1
689 1 89 GLU HA 1 91 GLU H . . 4.570 3.853 3.835 3.892 . 0 0 "[ . 1]" 1
690 1 90 ILE H 1 90 ILE HA . . 2.900 2.934 2.932 2.936 0.036 4 0 "[ . 1]" 1
691 1 90 ILE H 1 90 ILE MD . . 4.710 4.012 3.995 4.032 . 0 0 "[ . 1]" 1
692 1 90 ILE H 1 90 ILE MG . . 3.560 2.792 2.710 2.884 . 0 0 "[ . 1]" 1
693 1 90 ILE H 1 91 GLU H . . 2.740 2.451 2.417 2.483 . 0 0 "[ . 1]" 1
694 1 90 ILE H 1 91 GLU HA . . 4.450 4.041 4.021 4.064 . 0 0 "[ . 1]" 1
695 1 90 ILE HA 1 91 GLU H . . 2.870 2.949 2.922 2.969 0.099 3 0 "[ . 1]" 1
696 1 90 ILE HA 1 93 VAL H . . 4.720 3.792 3.719 3.854 . 0 0 "[ . 1]" 1
697 1 90 ILE HB 1 90 ILE MD . . 3.430 2.336 2.286 2.377 . 0 0 "[ . 1]" 1
698 1 90 ILE HB 1 93 VAL HB . . 3.630 3.473 3.371 3.537 . 0 0 "[ . 1]" 1
699 1 90 ILE HB 1 93 VAL QG . . 4.990 2.178 2.022 2.282 . 0 0 "[ . 1]" 1
700 1 90 ILE MD 1 93 VAL H . . 6.340 4.451 4.322 4.584 . 0 0 "[ . 1]" 1
701 1 90 ILE MD 1 93 VAL QG . . 9.120 1.990 1.908 2.106 . 0 0 "[ . 1]" 1
702 1 90 ILE MG 1 91 GLU H . . 5.240 4.270 4.242 4.301 . 0 0 "[ . 1]" 1
703 1 90 ILE MG 1 92 GLU H . . 6.530 4.953 4.897 4.981 . 0 0 "[ . 1]" 1
704 1 90 ILE MG 1 93 VAL HB . . 5.960 4.837 4.753 4.885 . 0 0 "[ . 1]" 1
705 1 90 ILE MG 1 93 VAL QG . . 6.450 3.528 3.444 3.574 . 0 0 "[ . 1]" 1
706 1 90 ILE O 1 94 VAL H . . 2.730 2.687 2.596 2.761 0.031 9 0 "[ . 1]" 1
707 1 90 ILE O 1 94 VAL N . . 3.620 3.572 3.485 3.643 0.023 9 0 "[ . 1]" 1
708 1 91 GLU H 1 91 GLU HA . . 2.750 2.722 2.715 2.734 . 0 0 "[ . 1]" 1
709 1 91 GLU H 1 91 GLU HB3 . . 2.540 2.567 2.553 2.586 0.046 9 0 "[ . 1]" 1
710 1 91 GLU H 1 91 GLU HG3 . . 5.190 4.392 4.379 4.402 . 0 0 "[ . 1]" 1
711 1 91 GLU H 1 92 GLU H . . 3.420 2.754 2.729 2.771 . 0 0 "[ . 1]" 1
712 1 91 GLU H 1 93 VAL H . . 4.940 4.665 4.621 4.686 . 0 0 "[ . 1]" 1
713 1 91 GLU H 1 93 VAL QG . . 7.000 4.441 4.425 4.459 . 0 0 "[ . 1]" 1
714 1 91 GLU HA 1 91 GLU HB3 . . 3.050 3.051 3.050 3.052 0.002 1 0 "[ . 1]" 1
715 1 91 GLU HA 1 91 GLU HG3 . . 2.770 2.772 2.753 2.800 0.030 4 0 "[ . 1]" 1
716 1 91 GLU HA 1 94 VAL H . . 4.940 3.085 3.069 3.107 . 0 0 "[ . 1]" 1
717 1 91 GLU HA 1 94 VAL HB . . 2.200 2.230 2.180 2.275 0.075 9 0 "[ . 1]" 1
718 1 91 GLU HA 1 94 VAL QG . . 4.990 2.944 2.903 2.999 . 0 0 "[ . 1]" 1
719 1 91 GLU O 1 95 GLU H . . 2.370 2.360 2.293 2.401 0.031 10 0 "[ . 1]" 1
720 1 91 GLU O 1 95 GLU N . . 3.250 3.243 3.183 3.286 0.036 10 0 "[ . 1]" 1
721 1 92 GLU H 1 92 GLU HA . . 2.800 2.737 2.730 2.746 . 0 0 "[ . 1]" 1
722 1 92 GLU H 1 93 VAL H . . 3.080 2.820 2.797 2.839 . 0 0 "[ . 1]" 1
723 1 92 GLU H 1 93 VAL QG . . 7.280 3.935 3.905 3.966 . 0 0 "[ . 1]" 1
724 1 92 GLU H 1 94 VAL H . . 4.910 3.962 3.933 3.982 . 0 0 "[ . 1]" 1
725 1 92 GLU HA 1 94 VAL H . . 4.120 4.117 4.101 4.143 0.023 6 0 "[ . 1]" 1
726 1 92 GLU O 1 96 LYS H . . 2.050 1.980 1.841 2.040 . 0 0 "[ . 1]" 1
727 1 92 GLU O 1 96 LYS N . . 3.000 2.900 2.780 2.956 . 0 0 "[ . 1]" 1
728 1 93 VAL H 1 93 VAL HA . . 2.740 2.788 2.782 2.791 0.051 10 0 "[ . 1]" 1
729 1 93 VAL H 1 93 VAL HB . . 2.400 2.404 2.381 2.430 0.030 6 0 "[ . 1]" 1
730 1 93 VAL H 1 93 VAL MG1 . . 3.430 2.241 2.209 2.273 . 0 0 "[ . 1]" 1
731 1 93 VAL H 1 93 VAL MG2 . . 4.330 3.698 3.695 3.701 . 0 0 "[ . 1]" 1
732 1 93 VAL H 1 94 VAL H . . 2.800 2.643 2.632 2.660 . 0 0 "[ . 1]" 1
733 1 93 VAL H 1 94 VAL QG . . 8.090 4.598 4.581 4.606 . 0 0 "[ . 1]" 1
734 1 93 VAL H 1 95 GLU H . . 5.040 4.468 4.447 4.483 . 0 0 "[ . 1]" 1
735 1 93 VAL HA 1 93 VAL HB . . 2.800 2.450 2.438 2.465 . 0 0 "[ . 1]" 1
736 1 93 VAL HA 1 93 VAL MG2 . . 3.430 2.373 2.347 2.416 . 0 0 "[ . 1]" 1
737 1 93 VAL HA 1 95 GLU H . . 4.360 4.379 4.364 4.412 0.052 9 0 "[ . 1]" 1
738 1 93 VAL HA 1 96 LYS H . . 2.960 2.989 2.969 3.033 0.073 9 0 "[ . 1]" 1
739 1 93 VAL HB 1 94 VAL H . . 4.070 4.039 4.016 4.051 . 0 0 "[ . 1]" 1
740 1 93 VAL QG 1 94 VAL H . . 3.540 1.876 1.863 1.894 . 0 0 "[ . 1]" 1
741 1 93 VAL QG 1 96 LYS H . . 5.610 3.981 3.946 4.029 . 0 0 "[ . 1]" 1
742 1 93 VAL QG 1 97 VAL H . . 6.510 3.479 3.377 3.532 . 0 0 "[ . 1]" 1
743 1 93 VAL MG1 1 94 VAL H . . 4.050 1.881 1.867 1.898 . 0 0 "[ . 1]" 1
744 1 93 VAL MG2 1 94 VAL H . . 4.620 3.837 3.803 3.865 . 0 0 "[ . 1]" 1
745 1 93 VAL O 1 97 VAL H . . 2.000 1.623 1.594 1.657 . 0 0 "[ . 1]" 1
746 1 93 VAL O 1 97 VAL N . . 3.000 2.431 2.406 2.453 . 0 0 "[ . 1]" 1
747 1 94 VAL H 1 94 VAL HA . . 2.750 2.754 2.750 2.763 0.013 9 0 "[ . 1]" 1
748 1 94 VAL H 1 94 VAL HB . . 2.400 1.956 1.954 1.958 . 0 0 "[ . 1]" 1
749 1 94 VAL H 1 94 VAL QG . . 3.930 2.836 2.831 2.844 . 0 0 "[ . 1]" 1
750 1 94 VAL H 1 95 GLU H . . 2.850 2.843 2.823 2.861 0.011 10 0 "[ . 1]" 1
751 1 94 VAL H 1 96 LYS H . . 3.900 3.907 3.870 3.926 0.026 5 0 "[ . 1]" 1
752 1 94 VAL HA 1 94 VAL HB . . 2.790 2.795 2.787 2.807 0.017 6 0 "[ . 1]" 1
753 1 94 VAL HA 1 94 VAL MG1 . . 3.620 3.025 3.008 3.034 . 0 0 "[ . 1]" 1
754 1 94 VAL HA 1 94 VAL MG2 . . 3.430 2.009 1.948 2.118 . 0 0 "[ . 1]" 1
755 1 94 VAL HA 1 95 GLU H . . 3.630 3.626 3.624 3.629 . 0 0 "[ . 1]" 1
756 1 94 VAL HA 1 96 LYS H . . 5.470 4.414 4.354 4.472 . 0 0 "[ . 1]" 1
757 1 94 VAL HA 1 97 VAL H . . 3.670 3.470 3.446 3.513 . 0 0 "[ . 1]" 1
758 1 94 VAL HA 1 97 VAL HB . . 2.630 2.611 2.579 2.639 0.009 9 0 "[ . 1]" 1
759 1 94 VAL HA 1 97 VAL QG . . 5.170 3.187 3.140 3.222 . 0 0 "[ . 1]" 1
760 1 94 VAL HA 1 98 LYS H . . 4.170 4.168 4.129 4.205 0.035 10 0 "[ . 1]" 1
761 1 94 VAL HB 1 95 GLU H . . 3.240 3.219 3.189 3.242 0.002 2 0 "[ . 1]" 1
762 1 94 VAL QG 1 95 GLU H . . 3.650 1.962 1.933 2.005 . 0 0 "[ . 1]" 1
763 1 94 VAL QG 1 95 GLU HA . . 5.610 2.839 2.834 2.847 . 0 0 "[ . 1]" 1
764 1 94 VAL MG1 1 95 GLU H . . 4.020 1.966 1.936 2.010 . 0 0 "[ . 1]" 1
765 1 94 VAL MG2 1 95 GLU H . . 4.870 4.136 4.130 4.145 . 0 0 "[ . 1]" 1
766 1 94 VAL O 1 98 LYS H . . 2.000 2.014 1.989 2.049 0.049 10 0 "[ . 1]" 1
767 1 94 VAL O 1 98 LYS N . . 3.000 2.967 2.940 2.998 . 0 0 "[ . 1]" 1
768 1 95 GLU H 1 95 GLU HA . . 2.810 2.812 2.807 2.818 0.008 9 0 "[ . 1]" 1
769 1 95 GLU H 1 95 GLU HG3 . . 2.400 1.983 1.938 2.072 . 0 0 "[ . 1]" 1
770 1 95 GLU H 1 96 LYS H . . 2.550 2.516 2.500 2.532 . 0 0 "[ . 1]" 1
771 1 95 GLU H 1 97 VAL H . . 4.110 3.877 3.852 3.906 . 0 0 "[ . 1]" 1
772 1 95 GLU HA 1 95 GLU HG3 . . 3.570 3.541 3.530 3.560 . 0 0 "[ . 1]" 1
773 1 95 GLU HA 1 98 LYS H . . 3.260 3.244 3.233 3.267 0.007 4 0 "[ . 1]" 1
774 1 95 GLU HA 1 98 LYS HA . . 5.300 5.322 5.313 5.344 0.044 4 0 "[ . 1]" 1
775 1 95 GLU HA 1 98 LYS HB3 . . 4.050 4.055 4.042 4.079 0.029 6 0 "[ . 1]" 1
776 1 95 GLU HG3 1 96 LYS HG3 . . 6.470 5.241 5.183 5.366 . 0 0 "[ . 1]" 1
777 1 95 GLU O 1 99 LYS H . . 2.000 2.006 1.981 2.028 0.028 2 0 "[ . 1]" 1
778 1 95 GLU O 1 99 LYS N . . 3.000 2.985 2.959 3.006 0.006 2 0 "[ . 1]" 1
779 1 96 LYS H 1 96 LYS HA . . 2.840 2.835 2.829 2.841 0.001 4 0 "[ . 1]" 1
780 1 96 LYS H 1 96 LYS HB3 . . 3.560 3.556 3.551 3.561 0.001 4 0 "[ . 1]" 1
781 1 96 LYS H 1 96 LYS HG3 . . 3.080 2.685 2.641 2.742 . 0 0 "[ . 1]" 1
782 1 96 LYS H 1 97 VAL H . . 2.740 2.487 2.466 2.503 . 0 0 "[ . 1]" 1
783 1 96 LYS H 1 97 VAL QG . . 5.910 4.303 4.241 4.344 . 0 0 "[ . 1]" 1
784 1 96 LYS H 1 98 LYS H . . 4.110 4.151 4.129 4.174 0.064 9 0 "[ . 1]" 1
785 1 96 LYS H 1 99 LYS H . . 4.910 4.770 4.739 4.794 . 0 0 "[ . 1]" 1
786 1 96 LYS HA 1 96 LYS HB3 . . 2.400 2.394 2.383 2.409 0.009 10 0 "[ . 1]" 1
787 1 96 LYS HA 1 99 LYS HG3 . . 2.740 2.090 2.045 2.129 . 0 0 "[ . 1]" 1
788 1 96 LYS O 1 100 PHE H . . 2.000 2.011 1.954 2.042 0.042 3 0 "[ . 1]" 1
789 1 96 LYS O 1 100 PHE N . . 3.000 2.823 2.776 2.860 . 0 0 "[ . 1]" 1
790 1 97 VAL H 1 97 VAL HB . . 2.400 2.089 2.077 2.105 . 0 0 "[ . 1]" 1
791 1 97 VAL H 1 97 VAL QG . . 3.920 2.700 2.656 2.742 . 0 0 "[ . 1]" 1
792 1 97 VAL H 1 98 LYS H . . 2.800 2.493 2.479 2.505 . 0 0 "[ . 1]" 1
793 1 97 VAL HA 1 97 VAL MG1 . . 3.430 2.671 2.635 2.691 . 0 0 "[ . 1]" 1
794 1 97 VAL HA 1 97 VAL MG2 . . 3.430 2.189 2.108 2.248 . 0 0 "[ . 1]" 1
795 1 97 VAL HA 1 99 LYS H . . 4.790 4.508 4.490 4.528 . 0 0 "[ . 1]" 1
796 1 97 VAL HB 1 98 LYS H . . 2.820 2.804 2.779 2.841 0.021 6 0 "[ . 1]" 1
797 1 97 VAL HB 1 99 LYS H . . 5.230 5.200 5.178 5.219 . 0 0 "[ . 1]" 1
798 1 97 VAL QG 1 98 LYS H . . 4.070 2.819 2.784 2.877 . 0 0 "[ . 1]" 1
799 1 97 VAL QG 1 98 LYS HA . . 8.060 3.020 2.949 3.097 . 0 0 "[ . 1]" 1
800 1 97 VAL QG 1 100 PHE QD . . 7.790 2.331 2.278 2.413 . 0 0 "[ . 1]" 1
801 1 97 VAL QG 1 101 VAL QG . . 8.750 2.213 2.104 2.305 . 0 0 "[ . 1]" 1
802 1 97 VAL MG1 1 98 LYS H . . 4.330 2.869 2.829 2.935 . 0 0 "[ . 1]" 1
803 1 97 VAL MG1 1 100 PHE QE . . 6.320 3.532 3.269 3.731 . 0 0 "[ . 1]" 1
804 1 97 VAL MG2 1 98 LYS H . . 4.910 4.146 4.130 4.165 . 0 0 "[ . 1]" 1
805 1 97 VAL MG2 1 100 PHE QE . . 6.320 3.612 3.497 3.739 . 0 0 "[ . 1]" 1
806 1 97 VAL O 1 101 VAL H . . 2.000 1.680 1.616 1.745 . 0 0 "[ . 1]" 1
807 1 97 VAL O 1 101 VAL N . . 3.000 2.671 2.609 2.727 . 0 0 "[ . 1]" 1
808 1 98 LYS H 1 98 LYS HB3 . . 3.450 3.429 3.418 3.443 . 0 0 "[ . 1]" 1
809 1 98 LYS H 1 98 LYS HG3 . . 3.450 2.922 2.850 2.978 . 0 0 "[ . 1]" 1
810 1 98 LYS H 1 99 LYS H . . 2.770 2.747 2.722 2.769 . 0 0 "[ . 1]" 1
811 1 98 LYS HA 1 98 LYS HB3 . . 2.740 2.702 2.684 2.715 . 0 0 "[ . 1]" 1
812 1 98 LYS HA 1 98 LYS HG3 . . 3.300 2.945 2.781 3.044 . 0 0 "[ . 1]" 1
813 1 98 LYS HA 1 101 VAL HB . . 3.140 3.050 2.930 3.166 0.026 10 0 "[ . 1]" 1
814 1 98 LYS HA 1 101 VAL QG . . 8.090 3.294 3.202 3.400 . 0 0 "[ . 1]" 1
815 1 98 LYS O 1 102 GLU H . . 2.000 1.978 1.949 2.021 0.021 5 0 "[ . 1]" 1
816 1 98 LYS O 1 102 GLU N . . 3.000 2.967 2.936 3.014 0.014 5 0 "[ . 1]" 1
817 1 99 LYS H 1 99 LYS HA . . 2.820 2.825 2.819 2.832 0.012 10 0 "[ . 1]" 1
818 1 99 LYS H 1 99 LYS HG3 . . 3.170 1.876 1.865 1.891 . 0 0 "[ . 1]" 1
819 1 99 LYS H 1 100 PHE H . . 2.650 2.539 2.522 2.557 . 0 0 "[ . 1]" 1
820 1 99 LYS HA 1 100 PHE H . . 3.570 3.574 3.569 3.580 0.010 2 0 "[ . 1]" 1
821 1 99 LYS HA 1 103 GLU H . . 3.930 3.908 3.854 3.935 0.005 9 0 "[ . 1]" 1
822 1 99 LYS O 1 103 GLU H . . 2.000 1.912 1.855 1.962 . 0 0 "[ . 1]" 1
823 1 99 LYS O 1 103 GLU N . . 3.000 2.533 2.461 2.592 . 0 0 "[ . 1]" 1
824 1 100 PHE H 1 100 PHE HA . . 2.800 2.793 2.780 2.802 0.002 1 0 "[ . 1]" 1
825 1 100 PHE H 1 100 PHE HB3 . . 2.620 1.922 1.908 1.934 . 0 0 "[ . 1]" 1
826 1 100 PHE H 1 101 VAL H . . 2.960 2.771 2.741 2.819 . 0 0 "[ . 1]" 1
827 1 100 PHE H 1 101 VAL QG . . 7.100 4.170 4.050 4.252 . 0 0 "[ . 1]" 1
828 1 100 PHE HA 1 100 PHE QE . . 5.510 5.023 4.965 5.071 . 0 0 "[ . 1]" 1
829 1 100 PHE HA 1 104 ASN QD . . 6.370 5.404 5.227 5.554 . 0 0 "[ . 1]" 1
830 1 100 PHE HB3 1 101 VAL H . . 3.170 2.677 2.639 2.727 . 0 0 "[ . 1]" 1
831 1 100 PHE QE 1 101 VAL H . . 6.910 4.490 4.367 4.613 . 0 0 "[ . 1]" 1
832 1 100 PHE QE 1 101 VAL QG . . 7.540 2.763 2.432 2.989 . 0 0 "[ . 1]" 1
833 1 100 PHE O 1 104 ASN H . . 2.000 2.038 2.007 2.114 0.114 10 0 "[ . 1]" 1
834 1 100 PHE O 1 104 ASN N . . 3.000 2.898 2.854 2.971 . 0 0 "[ . 1]" 1
835 1 101 VAL H 1 101 VAL HA . . 2.780 2.780 2.775 2.787 0.007 10 0 "[ . 1]" 1
836 1 101 VAL H 1 101 VAL HB . . 2.590 2.364 2.286 2.422 . 0 0 "[ . 1]" 1
837 1 101 VAL H 1 101 VAL MG1 . . 4.310 3.691 3.674 3.700 . 0 0 "[ . 1]" 1
838 1 101 VAL H 1 101 VAL QG . . 3.340 2.144 1.944 2.258 . 0 0 "[ . 1]" 1
839 1 101 VAL H 1 101 VAL MG2 . . 3.550 2.158 1.951 2.278 . 0 0 "[ . 1]" 1
840 1 101 VAL H 1 102 GLU H . . 2.770 2.786 2.764 2.801 0.031 6 0 "[ . 1]" 1
841 1 101 VAL HA 1 101 VAL HB . . 3.020 3.022 3.016 3.024 0.004 6 0 "[ . 1]" 1
842 1 101 VAL HA 1 101 VAL MG1 . . 3.430 2.406 2.361 2.461 . 0 0 "[ . 1]" 1
843 1 101 VAL HA 1 101 VAL MG2 . . 3.430 2.312 2.227 2.434 . 0 0 "[ . 1]" 1
844 1 101 VAL HA 1 103 GLU H . . 4.510 3.993 3.949 4.031 . 0 0 "[ . 1]" 1
845 1 101 VAL HB 1 102 GLU H . . 2.960 2.494 2.454 2.549 . 0 0 "[ . 1]" 1
846 1 101 VAL QG 1 102 GLU H . . 4.050 3.089 3.058 3.122 . 0 0 "[ . 1]" 1
847 1 101 VAL QG 1 102 GLU HA . . 5.610 3.354 3.323 3.412 . 0 0 "[ . 1]" 1
848 1 101 VAL QG 1 103 GLU H . . 8.090 4.316 4.292 4.336 . 0 0 "[ . 1]" 1
849 1 101 VAL QG 1 105 ASN H . . 8.090 4.120 4.014 4.169 . 0 0 "[ . 1]" 1
850 1 101 VAL QG 1 105 ASN QD . . 4.940 2.153 2.046 2.207 . 0 0 "[ . 1]" 1
851 1 101 VAL MG1 1 102 GLU H . . 4.010 3.245 3.184 3.311 . 0 0 "[ . 1]" 1
852 1 101 VAL MG1 1 102 GLU HA . . 6.530 3.387 3.354 3.450 . 0 0 "[ . 1]" 1
853 1 101 VAL MG1 1 105 ASN HD21 . . 6.530 2.649 2.444 2.826 . 0 0 "[ . 1]" 1
854 1 101 VAL MG1 1 105 ASN HD22 . . 6.530 2.297 2.190 2.452 . 0 0 "[ . 1]" 1
855 1 101 VAL MG2 1 102 GLU H . . 4.650 3.881 3.822 3.952 . 0 0 "[ . 1]" 1
856 1 101 VAL MG2 1 102 GLU HA . . 6.530 5.403 5.397 5.408 . 0 0 "[ . 1]" 1
857 1 101 VAL MG2 1 105 ASN HD21 . . 6.530 4.907 4.754 5.022 . 0 0 "[ . 1]" 1
858 1 101 VAL MG2 1 105 ASN HD22 . . 6.530 4.984 4.912 5.113 . 0 0 "[ . 1]" 1
859 1 101 VAL O 1 105 ASN H . . 2.000 1.988 1.888 2.029 0.029 8 0 "[ . 1]" 1
860 1 101 VAL O 1 105 ASN N . . 3.000 2.848 2.728 2.935 . 0 0 "[ . 1]" 1
861 1 102 GLU H 1 102 GLU HA . . 2.800 2.795 2.787 2.804 0.004 2 0 "[ . 1]" 1
862 1 102 GLU H 1 104 ASN H . . 4.280 4.302 4.250 4.337 0.057 10 0 "[ . 1]" 1
863 1 102 GLU HA 1 102 GLU HB3 . . 2.610 2.616 2.611 2.621 0.011 10 0 "[ . 1]" 1
864 1 102 GLU HA 1 105 ASN HD21 . . 5.500 1.972 1.944 2.033 . 0 0 "[ . 1]" 1
865 1 102 GLU HA 1 105 ASN HD22 . . 5.500 2.992 2.816 3.315 . 0 0 "[ . 1]" 1
866 1 102 GLU HB3 1 103 GLU H . . 4.000 3.992 3.973 4.014 0.014 8 0 "[ . 1]" 1
867 1 103 GLU H 1 103 GLU HA . . 2.820 2.813 2.806 2.822 0.002 8 0 "[ . 1]" 1
868 1 103 GLU H 1 103 GLU HG3 . . 3.720 3.724 3.710 3.742 0.022 2 0 "[ . 1]" 1
869 1 103 GLU H 1 104 ASN H . . 2.740 2.535 2.501 2.561 . 0 0 "[ . 1]" 1
870 1 103 GLU H 1 104 ASN QD . . 6.660 5.558 5.492 5.617 . 0 0 "[ . 1]" 1
871 1 103 GLU HA 1 103 GLU HB3 . . 2.730 2.740 2.730 2.745 0.015 3 0 "[ . 1]" 1
872 1 103 GLU HA 1 103 GLU HG3 . . 3.560 3.552 3.545 3.557 . 0 0 "[ . 1]" 1
873 1 103 GLU HA 1 104 ASN H . . 3.590 3.591 3.579 3.595 0.005 1 0 "[ . 1]" 1
874 1 103 GLU HA 1 105 ASN H . . 4.790 4.269 4.119 4.398 . 0 0 "[ . 1]" 1
875 1 104 ASN H 1 104 ASN HB3 . . 2.980 2.985 2.964 3.001 0.021 2 0 "[ . 1]" 1
876 1 104 ASN H 1 104 ASN QD . . 4.460 3.553 3.493 3.607 . 0 0 "[ . 1]" 1
877 1 105 ASN H 1 105 ASN HA . . 2.620 2.626 2.621 2.631 0.011 5 0 "[ . 1]" 1
878 1 105 ASN H 1 105 ASN HD21 . . 5.040 2.332 2.061 2.658 . 0 0 "[ . 1]" 1
879 1 105 ASN H 1 105 ASN QD . . 4.720 2.315 2.051 2.629 . 0 0 "[ . 1]" 1
880 1 105 ASN H 1 105 ASN HD22 . . 5.040 3.954 3.686 4.254 . 0 0 "[ . 1]" 1
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