NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574611 |
2mm4   |
19845 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mm4
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 850
_Distance_constraint_stats_list.Viol_count 824
_Distance_constraint_stats_list.Viol_total 1515.941
_Distance_constraint_stats_list.Viol_max 0.976
_Distance_constraint_stats_list.Viol_rms 0.0524
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.1226
_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 GLU 16.702 0.976 2 6 "[ + * *1 **-]"
1 2 THR 4.519 0.327 6 0 "[ . 1 .]"
1 3 GLY 8.810 0.657 9 5 "[ * . +1 **-]"
1 4 THR 5.844 0.976 2 2 "[ + - 1 .]"
1 5 LEU 9.579 0.410 15 0 "[ . 1 .]"
1 6 ILE 2.548 0.287 12 0 "[ . 1 .]"
1 7 VAL 0.800 0.287 12 0 "[ . 1 .]"
1 8 ASN 1.556 0.371 14 0 "[ . 1 .]"
1 9 SER 0.201 0.028 14 0 "[ . 1 .]"
1 10 VAL 4.492 0.516 15 1 "[ . 1 +]"
1 11 LEU 5.418 0.610 13 7 "[*- .*** 1* + .]"
1 12 LEU 1.152 0.386 11 0 "[ . 1 .]"
1 13 PHE 5.483 0.516 15 1 "[ . 1 +]"
1 14 LEU 2.100 0.173 14 0 "[ . 1 .]"
1 15 ALA 1.245 0.139 12 0 "[ . 1 .]"
1 16 PHE 1.428 0.167 12 0 "[ . 1 .]"
1 17 VAL 0.596 0.078 7 0 "[ . 1 .]"
1 18 VAL 0.193 0.108 4 0 "[ . 1 .]"
1 19 PHE 1.576 0.139 13 0 "[ . 1 .]"
1 20 LEU 1.473 0.167 12 0 "[ . 1 .]"
1 21 LEU 1.918 0.124 3 0 "[ . 1 .]"
1 22 VAL 0.021 0.021 5 0 "[ . 1 .]"
1 23 THR 2.793 0.156 12 0 "[ . 1 .]"
1 24 LEU 2.262 0.228 10 0 "[ . 1 .]"
1 25 ALA 4.506 0.228 10 0 "[ . 1 .]"
1 26 ILE 1.488 0.073 12 0 "[ . 1 .]"
1 27 LEU 0.169 0.020 7 0 "[ . 1 .]"
1 28 THR 0.417 0.087 13 0 "[ . 1 .]"
1 29 ALA 0.054 0.021 2 0 "[ . 1 .]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 31 ARG 3.902 0.924 2 3 "[ +- . * .]"
1 32 LEU 1.144 0.087 13 0 "[ . 1 .]"
1 33 ALA 1.697 0.136 3 0 "[ . 1 .]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 35 TYR 9.777 0.924 2 3 "[ +- . * .]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 38 ASN 2.449 0.477 3 0 "[ . 1 .]"
1 39 ILE 3.881 0.426 1 0 "[ . 1 .]"
1 40 VAL 0.175 0.078 13 0 "[ . 1 .]"
1 41 ASN 0.717 0.105 4 0 "[ . 1 .]"
1 42 VAL 0.868 0.105 4 0 "[ . 1 .]"
1 43 SER 0.495 0.069 2 0 "[ . 1 .]"
1 44 LEU 4.126 0.527 13 3 "[ .- 1 +*.]"
1 45 VAL 3.937 0.908 13 2 "[ . 1 +-.]"
1 46 LYS 11.407 0.916 12 5 "[* **. 1 + -.]"
1 47 PRO 1.246 0.242 12 0 "[ . 1 .]"
1 48 THR 3.412 0.908 13 2 "[ . 1 +-.]"
1 49 VAL 0.399 0.094 1 0 "[ . 1 .]"
1 50 TYR 0.493 0.086 12 0 "[ . 1 .]"
1 51 VAL 0.487 0.094 1 0 "[ . 1 .]"
1 52 TYR 0.149 0.058 3 0 "[ . 1 .]"
1 53 SER 1.669 0.636 12 1 "[ . 1 + .]"
1 54 ARG 5.909 0.475 2 0 "[ . 1 .]"
1 55 VAL 3.072 0.367 5 0 "[ . 1 .]"
1 56 LYS 4.137 0.636 12 2 "[ . - 1 + .]"
1 57 ASN 1.599 0.284 12 0 "[ . 1 .]"
1 58 LEU 1.706 0.284 12 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 GLU H1 1 1 GLU HB2 . . 4.080 3.051 2.461 3.599 . 0 0 "[ . 1 .]" 1
2 1 1 GLU H1 1 1 GLU HB3 . . 3.750 3.818 2.681 4.072 0.322 8 0 "[ . 1 .]" 1
3 1 1 GLU H1 1 1 GLU HG2 . . 3.970 3.554 2.050 4.642 0.672 2 1 "[ + . 1 .]" 1
4 1 1 GLU H1 1 1 GLU HG3 . . 4.550 3.770 1.928 4.580 0.030 7 0 "[ . 1 .]" 1
5 1 1 GLU H1 1 2 THR H . . 4.650 3.974 2.129 4.641 . 0 0 "[ . 1 .]" 1
6 1 1 GLU HA 1 1 GLU HG2 . . 3.900 3.075 2.537 4.235 0.335 4 0 "[ . 1 .]" 1
7 1 1 GLU HA 1 2 THR H . . 3.550 2.792 2.323 3.570 0.020 15 0 "[ . 1 .]" 1
8 1 1 GLU HB2 1 2 THR H . . 3.950 3.065 2.191 3.613 . 0 0 "[ . 1 .]" 1
9 1 1 GLU HB2 1 2 THR HA . . 5.500 4.714 4.137 5.273 . 0 0 "[ . 1 .]" 1
10 1 1 GLU HB2 1 4 THR H . . 5.200 2.819 2.127 3.371 . 0 0 "[ . 1 .]" 1
11 1 1 GLU HB2 1 4 THR HA . . 5.500 5.171 4.299 5.679 0.179 15 0 "[ . 1 .]" 1
12 1 1 GLU HB3 1 1 GLU HG3 . . 2.900 2.628 2.292 2.963 0.063 5 0 "[ . 1 .]" 1
13 1 1 GLU HB3 1 2 THR H . . 3.880 2.640 1.946 3.719 . 0 0 "[ . 1 .]" 1
14 1 1 GLU HB3 1 2 THR HA . . 5.500 4.801 4.360 5.640 0.140 4 0 "[ . 1 .]" 1
15 1 1 GLU HB3 1 4 THR HA . . 5.500 4.431 3.924 5.491 . 0 0 "[ . 1 .]" 1
16 1 1 GLU HB3 1 4 THR HB . . 4.280 2.529 1.990 3.214 . 0 0 "[ . 1 .]" 1
17 1 1 GLU HB3 1 4 THR MG . . 4.450 3.712 2.184 3.998 . 0 0 "[ . 1 .]" 1
18 1 1 GLU HG2 1 2 THR H . . 4.750 4.546 4.292 4.776 0.026 2 0 "[ . 1 .]" 1
19 1 1 GLU HG3 1 2 THR H . . 4.710 4.532 3.255 4.797 0.087 7 0 "[ . 1 .]" 1
20 1 1 GLU HG3 1 3 GLY H . . 4.620 5.057 4.942 5.277 0.657 9 5 "[ * . +1 **-]" 1
21 1 1 GLU HG3 1 4 THR HB . . 3.420 3.003 2.116 4.370 0.950 2 2 "[ + - 1 .]" 1
22 1 1 GLU HG3 1 4 THR MG . . 4.420 3.836 2.397 5.396 0.976 2 2 "[ + - 1 .]" 1
23 1 2 THR H 1 2 THR HB . . 3.530 3.055 2.735 3.744 0.214 15 0 "[ . 1 .]" 1
24 1 2 THR H 1 2 THR MG . . 3.940 3.319 2.184 3.969 0.029 4 0 "[ . 1 .]" 1
25 1 2 THR H 1 3 GLY H . . 3.510 2.775 2.645 2.998 . 0 0 "[ . 1 .]" 1
26 1 2 THR H 1 4 THR H . . 4.230 3.525 3.014 4.236 0.006 9 0 "[ . 1 .]" 1
27 1 2 THR HA 1 2 THR MG . . 2.920 2.474 2.061 3.188 0.268 12 0 "[ . 1 .]" 1
28 1 2 THR HA 1 3 GLY H . . 3.340 2.936 2.597 3.001 . 0 0 "[ . 1 .]" 1
29 1 2 THR HA 1 3 GLY HA3 . . 4.980 4.458 4.417 4.468 . 0 0 "[ . 1 .]" 1
30 1 2 THR HB 1 3 GLY HA3 . . 5.500 4.985 4.514 5.827 0.327 6 0 "[ . 1 .]" 1
31 1 2 THR MG 1 3 GLY H . . 4.350 3.938 3.331 4.280 . 0 0 "[ . 1 .]" 1
32 1 2 THR MG 1 3 GLY HA3 . . 4.640 4.155 3.779 4.423 . 0 0 "[ . 1 .]" 1
33 1 3 GLY H 1 4 THR H . . 3.860 1.973 1.893 2.202 . 0 0 "[ . 1 .]" 1
34 1 3 GLY H 1 4 THR HB . . 4.780 4.351 4.185 4.684 . 0 0 "[ . 1 .]" 1
35 1 3 GLY HA2 1 5 LEU H . . 5.180 5.142 4.946 5.521 0.341 10 0 "[ . 1 .]" 1
36 1 3 GLY HA3 1 4 THR HA . . 5.500 4.525 4.485 4.557 . 0 0 "[ . 1 .]" 1
37 1 3 GLY HA3 1 5 LEU H . . 5.410 5.341 5.135 5.532 0.122 10 0 "[ . 1 .]" 1
38 1 4 THR H 1 4 THR HB . . 3.840 2.636 2.344 2.980 . 0 0 "[ . 1 .]" 1
39 1 4 THR H 1 4 THR MG . . 3.880 3.692 2.466 3.839 . 0 0 "[ . 1 .]" 1
40 1 4 THR H 1 5 LEU H . . 4.430 4.279 4.190 4.450 0.020 10 0 "[ . 1 .]" 1
41 1 4 THR HA 1 5 LEU H . . 2.940 2.177 2.145 2.208 . 0 0 "[ . 1 .]" 1
42 1 4 THR HA 1 5 LEU HG . . 4.450 3.888 3.618 4.445 . 0 0 "[ . 1 .]" 1
43 1 4 THR HA 1 6 ILE H . . 3.930 3.295 3.186 3.476 . 0 0 "[ . 1 .]" 1
44 1 4 THR HA 1 6 ILE MG . . 3.860 3.509 3.216 3.889 0.029 10 0 "[ . 1 .]" 1
45 1 4 THR HA 1 7 VAL H . . 5.370 4.768 4.440 5.109 . 0 0 "[ . 1 .]" 1
46 1 4 THR HB 1 5 LEU H . . 4.520 4.345 4.117 4.457 . 0 0 "[ . 1 .]" 1
47 1 4 THR HB 1 6 ILE H . . 4.770 4.357 3.887 4.791 0.021 11 0 "[ . 1 .]" 1
48 1 4 THR HB 1 6 ILE MG . . 4.440 4.113 3.679 4.460 0.020 15 0 "[ . 1 .]" 1
49 1 4 THR HB 1 7 VAL H . . 4.730 4.335 3.758 4.783 0.053 10 0 "[ . 1 .]" 1
50 1 4 THR MG 1 5 LEU H . . 3.740 3.231 3.072 3.879 0.139 10 0 "[ . 1 .]" 1
51 1 4 THR MG 1 6 ILE H . . 3.520 2.383 2.119 3.093 . 0 0 "[ . 1 .]" 1
52 1 4 THR MG 1 6 ILE HB . . 4.570 3.866 3.534 4.616 0.046 10 0 "[ . 1 .]" 1
53 1 5 LEU H 1 5 LEU HB2 . . 3.310 3.177 2.583 3.720 0.410 15 0 "[ . 1 .]" 1
54 1 5 LEU H 1 5 LEU MD1 . . 3.720 3.468 2.365 3.987 0.267 11 0 "[ . 1 .]" 1
55 1 5 LEU H 1 5 LEU MD2 . . 4.290 3.240 2.074 3.686 . 0 0 "[ . 1 .]" 1
56 1 5 LEU H 1 5 LEU HG . . 3.480 2.181 1.950 2.687 . 0 0 "[ . 1 .]" 1
57 1 5 LEU H 1 6 ILE H . . 3.270 2.354 2.008 2.559 . 0 0 "[ . 1 .]" 1
58 1 5 LEU H 1 6 ILE HA . . 4.850 4.669 4.528 4.875 0.025 10 0 "[ . 1 .]" 1
59 1 5 LEU H 1 6 ILE MG . . 4.020 3.584 3.307 3.998 . 0 0 "[ . 1 .]" 1
60 1 5 LEU H 1 7 VAL H . . 4.850 4.398 4.016 4.567 . 0 0 "[ . 1 .]" 1
61 1 5 LEU HA 1 5 LEU MD1 . . 3.780 3.826 3.571 4.099 0.319 8 0 "[ . 1 .]" 1
62 1 5 LEU HA 1 5 LEU HG . . 3.910 3.503 3.238 3.698 . 0 0 "[ . 1 .]" 1
63 1 5 LEU HA 1 6 ILE H . . 3.450 3.162 3.058 3.453 0.003 11 0 "[ . 1 .]" 1
64 1 5 LEU HA 1 7 VAL H . . 4.930 3.951 3.586 4.139 . 0 0 "[ . 1 .]" 1
65 1 5 LEU HA 1 7 VAL QG . . 4.520 3.868 3.452 4.645 0.125 11 0 "[ . 1 .]" 1
66 1 5 LEU HA 1 8 ASN H . . 4.030 3.398 3.124 3.476 . 0 0 "[ . 1 .]" 1
67 1 5 LEU HA 1 8 ASN QB . . 4.260 3.213 2.908 4.046 . 0 0 "[ . 1 .]" 1
68 1 5 LEU HA 1 9 SER H . . 4.710 4.230 4.101 4.494 . 0 0 "[ . 1 .]" 1
69 1 5 LEU HB2 1 5 LEU MD1 . . 3.480 2.207 2.005 2.371 . 0 0 "[ . 1 .]" 1
70 1 5 LEU HB2 1 5 LEU MD2 . . 3.210 2.931 2.360 3.193 . 0 0 "[ . 1 .]" 1
71 1 5 LEU HB2 1 5 LEU HG . . 2.690 2.690 2.406 3.015 0.325 4 0 "[ . 1 .]" 1
72 1 5 LEU HB2 1 6 ILE H . . 4.690 3.974 2.983 4.397 . 0 0 "[ . 1 .]" 1
73 1 5 LEU HB3 1 5 LEU MD1 . . 2.820 2.717 2.330 3.190 0.370 7 0 "[ . 1 .]" 1
74 1 5 LEU HB3 1 5 LEU MD2 . . 3.150 2.210 1.970 2.384 . 0 0 "[ . 1 .]" 1
75 1 5 LEU HB3 1 6 ILE H . . 4.900 4.464 4.013 4.583 . 0 0 "[ . 1 .]" 1
76 1 5 LEU HG 1 6 ILE H . . 4.450 4.063 3.319 4.485 0.035 12 0 "[ . 1 .]" 1
77 1 6 ILE H 1 6 ILE HB . . 3.750 2.760 2.449 2.910 . 0 0 "[ . 1 .]" 1
78 1 6 ILE H 1 6 ILE MD . . 4.610 4.250 4.084 4.477 . 0 0 "[ . 1 .]" 1
79 1 6 ILE H 1 6 ILE HG12 . . 4.670 4.606 4.320 4.747 0.077 10 0 "[ . 1 .]" 1
80 1 6 ILE H 1 6 ILE HG13 . . 4.740 4.481 4.368 4.738 . 0 0 "[ . 1 .]" 1
81 1 6 ILE H 1 6 ILE MG . . 3.840 1.946 1.879 2.221 . 0 0 "[ . 1 .]" 1
82 1 6 ILE H 1 7 VAL H . . 4.450 2.318 2.260 2.815 . 0 0 "[ . 1 .]" 1
83 1 6 ILE HA 1 6 ILE MD . . 3.860 2.731 1.958 3.862 0.002 15 0 "[ . 1 .]" 1
84 1 6 ILE HA 1 6 ILE MG . . 3.550 3.195 3.185 3.202 . 0 0 "[ . 1 .]" 1
85 1 6 ILE HA 1 8 ASN H . . 4.510 4.255 4.081 4.488 . 0 0 "[ . 1 .]" 1
86 1 6 ILE HA 1 9 SER H . . 4.130 3.320 3.168 3.384 . 0 0 "[ . 1 .]" 1
87 1 6 ILE HA 1 9 SER QB . . 2.450 2.371 2.191 2.474 0.024 2 0 "[ . 1 .]" 1
88 1 6 ILE HA 1 10 VAL H . . 4.510 3.447 3.148 3.653 . 0 0 "[ . 1 .]" 1
89 1 6 ILE HB 1 6 ILE MD . . 3.510 2.450 2.331 3.158 . 0 0 "[ . 1 .]" 1
90 1 6 ILE HB 1 7 VAL H . . 4.070 4.008 3.950 4.108 0.038 12 0 "[ . 1 .]" 1
91 1 6 ILE HB 1 10 VAL HB . . 5.460 5.515 5.453 5.634 0.174 7 0 "[ . 1 .]" 1
92 1 6 ILE HB 1 10 VAL QG . . 5.190 4.955 3.846 5.176 . 0 0 "[ . 1 .]" 1
93 1 6 ILE MD 1 10 VAL HB . . 4.270 2.962 2.226 4.297 0.027 7 0 "[ . 1 .]" 1
94 1 6 ILE MD 1 10 VAL QG . . 3.140 2.996 2.306 3.291 0.151 11 0 "[ . 1 .]" 1
95 1 6 ILE HG12 1 6 ILE MG . . 3.510 2.442 2.337 3.133 . 0 0 "[ . 1 .]" 1
96 1 6 ILE HG13 1 6 ILE MG . . 3.270 2.654 2.290 3.201 . 0 0 "[ . 1 .]" 1
97 1 6 ILE HG13 1 7 VAL H . . 5.050 4.325 3.814 5.337 0.287 12 0 "[ . 1 .]" 1
98 1 6 ILE MG 1 7 VAL H . . 3.260 2.074 1.902 2.377 . 0 0 "[ . 1 .]" 1
99 1 6 ILE MG 1 9 SER H . . 4.840 4.809 4.726 4.868 0.028 14 0 "[ . 1 .]" 1
100 1 6 ILE MG 1 10 VAL HB . . 5.240 4.721 4.596 4.862 . 0 0 "[ . 1 .]" 1
101 1 7 VAL H 1 7 VAL HB . . 3.570 2.773 2.272 3.612 0.042 8 0 "[ . 1 .]" 1
102 1 7 VAL H 1 7 VAL QG . . 3.210 2.052 1.888 2.621 . 0 0 "[ . 1 .]" 1
103 1 7 VAL H 1 8 ASN H . . 4.420 2.516 2.458 2.622 . 0 0 "[ . 1 .]" 1
104 1 7 VAL HA 1 9 SER H . . 4.990 4.197 4.060 4.278 . 0 0 "[ . 1 .]" 1
105 1 7 VAL HB 1 8 ASN H . . 4.120 3.683 2.618 4.019 . 0 0 "[ . 1 .]" 1
106 1 7 VAL QG 1 8 ASN H . . 3.310 2.258 1.924 3.281 . 0 0 "[ . 1 .]" 1
107 1 7 VAL QG 1 8 ASN QB . . 3.980 3.188 2.656 3.850 . 0 0 "[ . 1 .]" 1
108 1 7 VAL QG 1 9 SER H . . 4.650 3.976 3.830 4.431 . 0 0 "[ . 1 .]" 1
109 1 8 ASN H 1 8 ASN QB . . 3.860 2.313 2.140 2.440 . 0 0 "[ . 1 .]" 1
110 1 8 ASN H 1 8 ASN HD21 . . 4.470 4.028 2.616 4.841 0.371 14 0 "[ . 1 .]" 1
111 1 8 ASN H 1 9 SER QB . . 4.960 4.113 4.007 4.260 . 0 0 "[ . 1 .]" 1
112 1 8 ASN H 1 10 VAL H . . 4.400 4.084 3.901 4.388 . 0 0 "[ . 1 .]" 1
113 1 8 ASN H 1 11 LEU H . . 5.500 4.681 4.579 4.785 . 0 0 "[ . 1 .]" 1
114 1 8 ASN HA 1 8 ASN HD21 . . 4.220 3.827 3.227 4.416 0.196 2 0 "[ . 1 .]" 1
115 1 8 ASN QB 1 8 ASN HD22 . . 3.680 3.239 3.213 3.257 . 0 0 "[ . 1 .]" 1
116 1 8 ASN QB 1 9 SER H . . 4.310 3.070 2.936 3.666 . 0 0 "[ . 1 .]" 1
117 1 9 SER H 1 9 SER QB . . 3.860 2.257 2.207 2.308 . 0 0 "[ . 1 .]" 1
118 1 9 SER H 1 10 VAL H . . 3.760 2.399 2.328 2.496 . 0 0 "[ . 1 .]" 1
119 1 9 SER H 1 11 LEU H . . 4.220 3.693 3.555 3.781 . 0 0 "[ . 1 .]" 1
120 1 9 SER HA 1 10 VAL QG . . 5.090 4.833 4.806 4.887 . 0 0 "[ . 1 .]" 1
121 1 9 SER HA 1 12 LEU H . . 5.260 3.571 3.482 3.706 . 0 0 "[ . 1 .]" 1
122 1 9 SER HA 1 12 LEU QB . . 3.940 2.906 2.779 3.173 . 0 0 "[ . 1 .]" 1
123 1 9 SER HA 1 13 PHE H . . 4.290 3.635 3.433 3.838 . 0 0 "[ . 1 .]" 1
124 1 9 SER QB 1 10 VAL H . . 3.990 2.569 2.408 2.727 . 0 0 "[ . 1 .]" 1
125 1 10 VAL H 1 10 VAL HB . . 3.930 2.452 2.398 2.510 . 0 0 "[ . 1 .]" 1
126 1 10 VAL H 1 10 VAL QG . . 3.250 2.252 2.193 2.292 . 0 0 "[ . 1 .]" 1
127 1 10 VAL H 1 11 LEU H . . 3.100 2.563 2.470 2.651 . 0 0 "[ . 1 .]" 1
128 1 10 VAL H 1 13 PHE HB3 . . 5.120 5.303 5.163 5.636 0.516 15 1 "[ . 1 +]" 1
129 1 10 VAL HA 1 10 VAL QG . . 3.300 2.128 2.100 2.279 . 0 0 "[ . 1 .]" 1
130 1 10 VAL HA 1 13 PHE H . . 4.560 3.755 3.527 3.942 . 0 0 "[ . 1 .]" 1
131 1 10 VAL HA 1 13 PHE HB2 . . 4.600 3.474 3.102 3.819 . 0 0 "[ . 1 .]" 1
132 1 10 VAL HA 1 13 PHE HB3 . . 4.530 2.938 2.804 3.166 . 0 0 "[ . 1 .]" 1
133 1 10 VAL HA 1 13 PHE QD . . 5.330 4.638 4.515 4.753 . 0 0 "[ . 1 .]" 1
134 1 10 VAL HA 1 14 LEU HB2 . . 5.500 5.230 4.948 5.514 0.014 7 0 "[ . 1 .]" 1
135 1 10 VAL HB 1 11 LEU H . . 4.170 3.749 2.652 3.941 . 0 0 "[ . 1 .]" 1
136 1 10 VAL HB 1 13 PHE HB3 . . 5.500 5.487 5.298 5.705 0.205 5 0 "[ . 1 .]" 1
137 1 10 VAL QG 1 11 LEU H . . 4.920 2.124 1.926 3.153 . 0 0 "[ . 1 .]" 1
138 1 10 VAL QG 1 11 LEU HA . . 4.980 3.147 3.095 3.319 . 0 0 "[ . 1 .]" 1
139 1 10 VAL QG 1 13 PHE HB2 . . 5.500 4.630 4.193 4.920 . 0 0 "[ . 1 .]" 1
140 1 11 LEU H 1 11 LEU MD1 . . 4.360 4.140 3.986 4.252 . 0 0 "[ . 1 .]" 1
141 1 11 LEU H 1 11 LEU MD2 . . 4.210 4.129 3.691 4.309 0.099 2 0 "[ . 1 .]" 1
142 1 11 LEU H 1 11 LEU HG . . 4.620 4.473 4.348 4.617 . 0 0 "[ . 1 .]" 1
143 1 11 LEU H 1 12 LEU H . . 4.810 2.506 2.464 2.621 . 0 0 "[ . 1 .]" 1
144 1 11 LEU H 1 12 LEU QB . . 4.780 4.283 4.220 4.478 . 0 0 "[ . 1 .]" 1
145 1 11 LEU H 1 13 PHE H . . 4.950 4.025 3.842 4.130 . 0 0 "[ . 1 .]" 1
146 1 11 LEU HA 1 11 LEU MD1 . . 4.140 2.855 2.116 3.657 . 0 0 "[ . 1 .]" 1
147 1 11 LEU HA 1 11 LEU MD2 . . 3.340 3.302 1.972 3.950 0.610 13 7 "[*- .*** 1* + .]" 1
148 1 11 LEU HA 1 11 LEU HG . . 4.270 2.875 2.305 3.690 . 0 0 "[ . 1 .]" 1
149 1 11 LEU HA 1 14 LEU H . . 4.330 3.831 3.729 3.887 . 0 0 "[ . 1 .]" 1
150 1 11 LEU HA 1 14 LEU HB2 . . 4.740 3.075 2.871 3.206 . 0 0 "[ . 1 .]" 1
151 1 11 LEU HA 1 15 ALA H . . 5.080 4.685 4.515 4.843 . 0 0 "[ . 1 .]" 1
152 1 11 LEU HB2 1 11 LEU MD1 . . 3.450 2.381 2.079 3.189 . 0 0 "[ . 1 .]" 1
153 1 11 LEU HB2 1 11 LEU MD2 . . 3.000 2.720 2.270 3.150 0.150 10 0 "[ . 1 .]" 1
154 1 11 LEU HB2 1 12 LEU H . . 4.710 3.759 3.542 3.906 . 0 0 "[ . 1 .]" 1
155 1 11 LEU HB3 1 11 LEU MD1 . . 3.390 2.778 2.100 3.184 . 0 0 "[ . 1 .]" 1
156 1 11 LEU HB3 1 11 LEU MD2 . . 3.350 2.336 2.020 3.181 . 0 0 "[ . 1 .]" 1
157 1 11 LEU HB3 1 12 LEU H . . 4.530 2.575 2.466 2.640 . 0 0 "[ . 1 .]" 1
158 1 11 LEU MD2 1 12 LEU H . . 4.460 3.916 3.144 4.662 0.202 9 0 "[ . 1 .]" 1
159 1 12 LEU H 1 12 LEU MD1 . . 4.360 3.966 2.253 4.238 . 0 0 "[ . 1 .]" 1
160 1 12 LEU H 1 12 LEU HG . . 4.770 4.232 2.796 4.594 . 0 0 "[ . 1 .]" 1
161 1 12 LEU H 1 13 PHE H . . 4.090 2.577 2.454 2.674 . 0 0 "[ . 1 .]" 1
162 1 12 LEU HA 1 12 LEU MD1 . . 3.450 2.596 2.061 3.836 0.386 11 0 "[ . 1 .]" 1
163 1 12 LEU HA 1 14 LEU H . . 5.500 4.129 3.787 4.291 . 0 0 "[ . 1 .]" 1
164 1 12 LEU HA 1 15 ALA H . . 5.500 3.472 3.232 3.574 . 0 0 "[ . 1 .]" 1
165 1 12 LEU HA 1 15 ALA MB . . 3.480 3.144 2.922 3.292 . 0 0 "[ . 1 .]" 1
166 1 12 LEU QB 1 12 LEU HG . . 2.660 2.309 2.165 2.450 . 0 0 "[ . 1 .]" 1
167 1 12 LEU QB 1 13 PHE H . . 3.800 2.488 2.354 2.687 . 0 0 "[ . 1 .]" 1
168 1 12 LEU QB 1 13 PHE HA . . 5.500 3.905 3.759 4.124 . 0 0 "[ . 1 .]" 1
169 1 13 PHE H 1 13 PHE HA . . 2.870 2.763 2.753 2.801 . 0 0 "[ . 1 .]" 1
170 1 13 PHE H 1 13 PHE HB2 . . 4.180 2.348 2.189 2.445 . 0 0 "[ . 1 .]" 1
171 1 13 PHE H 1 13 PHE HB3 . . 4.080 2.735 2.619 2.948 . 0 0 "[ . 1 .]" 1
172 1 13 PHE H 1 13 PHE QD . . 4.720 4.133 3.990 4.177 . 0 0 "[ . 1 .]" 1
173 1 13 PHE H 1 14 LEU H . . 4.470 2.780 2.665 2.840 . 0 0 "[ . 1 .]" 1
174 1 13 PHE H 1 15 ALA H . . 4.650 4.583 4.261 4.673 0.023 2 0 "[ . 1 .]" 1
175 1 13 PHE HA 1 13 PHE QD . . 3.900 3.107 3.026 3.128 . 0 0 "[ . 1 .]" 1
176 1 13 PHE HA 1 13 PHE QE . . 4.870 4.644 4.523 4.697 . 0 0 "[ . 1 .]" 1
177 1 13 PHE HA 1 15 ALA H . . 4.910 4.789 4.483 4.922 0.012 4 0 "[ . 1 .]" 1
178 1 13 PHE HA 1 16 PHE H . . 3.670 3.462 3.269 3.564 . 0 0 "[ . 1 .]" 1
179 1 13 PHE HA 1 16 PHE HB2 . . 4.160 2.739 2.595 3.126 . 0 0 "[ . 1 .]" 1
180 1 13 PHE HA 1 16 PHE HB3 . . 3.760 2.687 2.506 2.799 . 0 0 "[ . 1 .]" 1
181 1 13 PHE HA 1 16 PHE QD . . 5.100 4.125 3.612 4.472 . 0 0 "[ . 1 .]" 1
182 1 13 PHE HA 1 17 VAL H . . 4.890 3.819 3.393 3.983 . 0 0 "[ . 1 .]" 1
183 1 13 PHE HB2 1 14 LEU H . . 4.180 3.828 3.639 3.926 . 0 0 "[ . 1 .]" 1
184 1 13 PHE HB2 1 14 LEU HA . . 5.440 5.578 5.477 5.613 0.173 14 0 "[ . 1 .]" 1
185 1 13 PHE HB3 1 14 LEU H . . 4.240 2.708 2.556 3.009 . 0 0 "[ . 1 .]" 1
186 1 13 PHE HB3 1 14 LEU QD . . 4.710 3.006 2.771 3.404 . 0 0 "[ . 1 .]" 1
187 1 13 PHE QD 1 14 LEU H . . 4.380 3.699 3.489 4.096 . 0 0 "[ . 1 .]" 1
188 1 13 PHE QD 1 17 VAL HA . . 5.460 5.392 4.998 5.476 0.016 12 0 "[ . 1 .]" 1
189 1 13 PHE QD 1 17 VAL QG . . 3.390 2.396 1.929 3.096 . 0 0 "[ . 1 .]" 1
190 1 13 PHE QE 1 16 PHE HB3 . . 5.500 5.254 4.951 5.483 . 0 0 "[ . 1 .]" 1
191 1 14 LEU H 1 14 LEU HB2 . . 3.730 2.084 2.047 2.111 . 0 0 "[ . 1 .]" 1
192 1 14 LEU H 1 14 LEU HB3 . . 3.690 3.387 3.311 3.429 . 0 0 "[ . 1 .]" 1
193 1 14 LEU H 1 14 LEU QD . . 2.850 2.468 2.216 2.781 . 0 0 "[ . 1 .]" 1
194 1 14 LEU H 1 14 LEU HG . . 4.520 4.047 3.852 4.249 . 0 0 "[ . 1 .]" 1
195 1 14 LEU H 1 15 ALA H . . 2.940 2.773 2.501 2.892 . 0 0 "[ . 1 .]" 1
196 1 14 LEU H 1 16 PHE H . . 4.960 3.705 3.584 3.762 . 0 0 "[ . 1 .]" 1
197 1 14 LEU HA 1 14 LEU QD . . 3.140 2.231 1.902 2.849 . 0 0 "[ . 1 .]" 1
198 1 14 LEU HA 1 15 ALA MB . . 5.120 5.031 5.012 5.038 . 0 0 "[ . 1 .]" 1
199 1 14 LEU HA 1 16 PHE H . . 4.350 4.011 3.952 4.105 . 0 0 "[ . 1 .]" 1
200 1 14 LEU HA 1 17 VAL H . . 4.140 3.781 3.654 4.040 . 0 0 "[ . 1 .]" 1
201 1 14 LEU HA 1 17 VAL HB . . 4.610 3.773 3.487 4.561 . 0 0 "[ . 1 .]" 1
202 1 14 LEU HA 1 17 VAL QG . . 3.710 2.707 2.249 2.968 . 0 0 "[ . 1 .]" 1
203 1 14 LEU HA 1 18 VAL H . . 4.950 4.533 4.373 4.657 . 0 0 "[ . 1 .]" 1
204 1 14 LEU HB2 1 14 LEU QD . . 3.010 2.239 2.073 2.365 . 0 0 "[ . 1 .]" 1
205 1 14 LEU HB2 1 15 ALA H . . 3.940 2.753 2.642 2.958 . 0 0 "[ . 1 .]" 1
206 1 14 LEU HB2 1 15 ALA MB . . 4.420 4.196 4.118 4.333 . 0 0 "[ . 1 .]" 1
207 1 14 LEU HB2 1 17 VAL QG . . 5.500 5.035 4.548 5.277 . 0 0 "[ . 1 .]" 1
208 1 14 LEU HB3 1 14 LEU QD . . 3.240 2.183 2.085 2.301 . 0 0 "[ . 1 .]" 1
209 1 14 LEU HB3 1 15 ALA H . . 3.960 2.777 2.644 3.040 . 0 0 "[ . 1 .]" 1
210 1 14 LEU HB3 1 15 ALA MB . . 3.970 3.864 3.714 3.971 0.001 12 0 "[ . 1 .]" 1
211 1 14 LEU QD 1 15 ALA HA . . 5.370 4.616 4.397 4.890 . 0 0 "[ . 1 .]" 1
212 1 15 ALA H 1 15 ALA MB . . 2.580 2.185 2.160 2.235 . 0 0 "[ . 1 .]" 1
213 1 15 ALA H 1 16 PHE H . . 3.820 2.552 2.428 2.612 . 0 0 "[ . 1 .]" 1
214 1 15 ALA H 1 17 VAL H . . 4.760 4.556 4.494 4.707 . 0 0 "[ . 1 .]" 1
215 1 15 ALA HA 1 16 PHE HB2 . . 5.500 5.578 5.546 5.639 0.139 12 0 "[ . 1 .]" 1
216 1 15 ALA HA 1 18 VAL H . . 4.220 3.965 3.874 4.030 . 0 0 "[ . 1 .]" 1
217 1 15 ALA HA 1 18 VAL HB . . 5.270 4.869 4.583 5.016 . 0 0 "[ . 1 .]" 1
218 1 15 ALA HA 1 18 VAL MG1 . . 3.880 3.575 3.370 3.749 . 0 0 "[ . 1 .]" 1
219 1 15 ALA HA 1 18 VAL MG2 . . 3.750 2.151 1.948 2.258 . 0 0 "[ . 1 .]" 1
220 1 15 ALA HA 1 19 PHE H . . 4.680 4.465 4.363 4.543 . 0 0 "[ . 1 .]" 1
221 1 15 ALA MB 1 16 PHE H . . 3.360 2.992 2.950 3.014 . 0 0 "[ . 1 .]" 1
222 1 15 ALA MB 1 16 PHE QD . . 4.990 4.679 4.577 4.895 . 0 0 "[ . 1 .]" 1
223 1 15 ALA MB 1 18 VAL MG2 . . 3.470 3.232 3.126 3.282 . 0 0 "[ . 1 .]" 1
224 1 15 ALA MB 1 19 PHE QB . . 5.070 4.679 4.561 4.773 . 0 0 "[ . 1 .]" 1
225 1 16 PHE H 1 16 PHE HB2 . . 3.630 2.330 2.275 2.501 . 0 0 "[ . 1 .]" 1
226 1 16 PHE H 1 16 PHE HB3 . . 3.560 2.829 2.658 2.880 . 0 0 "[ . 1 .]" 1
227 1 16 PHE H 1 16 PHE QD . . 5.500 4.066 4.011 4.168 . 0 0 "[ . 1 .]" 1
228 1 16 PHE H 1 17 VAL QG . . 4.490 3.808 3.307 3.999 . 0 0 "[ . 1 .]" 1
229 1 16 PHE H 1 19 PHE H . . 5.440 4.770 4.635 4.861 . 0 0 "[ . 1 .]" 1
230 1 16 PHE HA 1 16 PHE QD . . 3.860 2.747 2.003 3.042 . 0 0 "[ . 1 .]" 1
231 1 16 PHE HA 1 16 PHE QE . . 4.590 4.430 4.225 4.515 . 0 0 "[ . 1 .]" 1
232 1 16 PHE HA 1 17 VAL QG . . 5.180 4.748 4.595 4.818 . 0 0 "[ . 1 .]" 1
233 1 16 PHE HA 1 19 PHE H . . 4.390 3.524 3.417 3.618 . 0 0 "[ . 1 .]" 1
234 1 16 PHE HA 1 19 PHE QB . . 3.840 2.554 2.454 2.662 . 0 0 "[ . 1 .]" 1
235 1 16 PHE HA 1 20 LEU H . . 4.410 4.229 4.047 4.362 . 0 0 "[ . 1 .]" 1
236 1 16 PHE HA 1 20 LEU MD1 . . 5.500 4.830 4.503 4.954 . 0 0 "[ . 1 .]" 1
237 1 16 PHE HA 1 20 LEU MD2 . . 5.500 4.507 4.116 4.702 . 0 0 "[ . 1 .]" 1
238 1 16 PHE HB2 1 17 VAL H . . 4.190 3.466 3.359 3.579 . 0 0 "[ . 1 .]" 1
239 1 16 PHE HB3 1 17 VAL H . . 3.670 2.365 2.241 2.470 . 0 0 "[ . 1 .]" 1
240 1 16 PHE QD 1 19 PHE QB . . 5.400 4.108 3.263 4.349 . 0 0 "[ . 1 .]" 1
241 1 16 PHE QD 1 20 LEU HB2 . . 5.500 4.591 4.208 5.667 0.167 12 0 "[ . 1 .]" 1
242 1 16 PHE QD 1 20 LEU MD1 . . 3.400 2.192 1.924 3.169 . 0 0 "[ . 1 .]" 1
243 1 16 PHE QD 1 20 LEU MD2 . . 4.400 3.335 3.030 3.815 . 0 0 "[ . 1 .]" 1
244 1 16 PHE QD 1 20 LEU HG . . 5.130 2.776 2.432 3.869 . 0 0 "[ . 1 .]" 1
245 1 16 PHE QE 1 20 LEU H . . 5.500 5.477 5.391 5.525 0.025 7 0 "[ . 1 .]" 1
246 1 16 PHE QE 1 20 LEU MD2 . . 4.590 2.375 2.135 2.988 . 0 0 "[ . 1 .]" 1
247 1 17 VAL H 1 17 VAL HB . . 3.760 2.607 2.568 2.701 . 0 0 "[ . 1 .]" 1
248 1 17 VAL H 1 17 VAL QG . . 3.350 2.081 1.944 2.170 . 0 0 "[ . 1 .]" 1
249 1 17 VAL H 1 18 VAL H . . 3.380 2.973 2.853 3.036 . 0 0 "[ . 1 .]" 1
250 1 17 VAL H 1 19 PHE H . . 4.440 4.218 4.150 4.288 . 0 0 "[ . 1 .]" 1
251 1 17 VAL H 1 20 LEU MD1 . . 4.590 4.503 4.150 4.600 0.010 10 0 "[ . 1 .]" 1
252 1 17 VAL HA 1 17 VAL QG . . 3.110 2.130 2.057 2.280 . 0 0 "[ . 1 .]" 1
253 1 17 VAL HA 1 19 PHE H . . 5.220 4.359 4.270 4.458 . 0 0 "[ . 1 .]" 1
254 1 17 VAL HA 1 20 LEU H . . 5.500 3.477 3.410 3.526 . 0 0 "[ . 1 .]" 1
255 1 17 VAL HA 1 20 LEU HB2 . . 4.610 2.932 2.589 3.112 . 0 0 "[ . 1 .]" 1
256 1 17 VAL HA 1 20 LEU HB3 . . 4.750 4.559 4.216 4.766 0.016 10 0 "[ . 1 .]" 1
257 1 17 VAL HA 1 20 LEU MD1 . . 3.300 3.010 2.785 3.179 . 0 0 "[ . 1 .]" 1
258 1 17 VAL HA 1 20 LEU MD2 . . 4.730 4.713 4.443 4.808 0.078 7 0 "[ . 1 .]" 1
259 1 17 VAL HA 1 20 LEU HG . . 4.660 3.249 2.858 3.499 . 0 0 "[ . 1 .]" 1
260 1 17 VAL HB 1 18 VAL H . . 4.020 2.674 2.203 3.902 . 0 0 "[ . 1 .]" 1
261 1 17 VAL HB 1 21 LEU HG . . 5.500 4.710 4.342 5.428 . 0 0 "[ . 1 .]" 1
262 1 17 VAL QG 1 18 VAL H . . 3.890 2.679 1.863 3.067 . 0 0 "[ . 1 .]" 1
263 1 17 VAL QG 1 20 LEU HG . . 4.460 4.360 3.993 4.493 0.033 5 0 "[ . 1 .]" 1
264 1 17 VAL QG 1 21 LEU HA . . 5.500 4.573 4.428 4.724 . 0 0 "[ . 1 .]" 1
265 1 17 VAL QG 1 21 LEU HG . . 3.910 2.468 2.232 2.710 . 0 0 "[ . 1 .]" 1
266 1 18 VAL H 1 18 VAL HB . . 3.760 3.613 3.607 3.616 . 0 0 "[ . 1 .]" 1
267 1 18 VAL H 1 18 VAL MG1 . . 3.410 2.320 2.193 2.432 . 0 0 "[ . 1 .]" 1
268 1 18 VAL H 1 18 VAL MG2 . . 3.550 1.921 1.887 1.951 . 0 0 "[ . 1 .]" 1
269 1 18 VAL H 1 19 PHE H . . 3.380 2.804 2.680 2.880 . 0 0 "[ . 1 .]" 1
270 1 18 VAL HA 1 18 VAL MG1 . . 3.460 2.252 2.159 2.356 . 0 0 "[ . 1 .]" 1
271 1 18 VAL HA 1 18 VAL MG2 . . 3.370 3.195 3.192 3.199 . 0 0 "[ . 1 .]" 1
272 1 18 VAL HA 1 20 LEU H . . 5.090 4.533 4.330 4.659 . 0 0 "[ . 1 .]" 1
273 1 18 VAL HA 1 21 LEU HB2 . . 4.860 2.677 2.456 2.923 . 0 0 "[ . 1 .]" 1
274 1 18 VAL HA 1 21 LEU HB3 . . 4.230 4.099 3.867 4.338 0.108 4 0 "[ . 1 .]" 1
275 1 18 VAL HA 1 21 LEU MD1 . . 3.800 2.244 2.109 2.448 . 0 0 "[ . 1 .]" 1
276 1 18 VAL HA 1 22 VAL H . . 5.500 4.530 4.334 4.729 . 0 0 "[ . 1 .]" 1
277 1 18 VAL HB 1 19 PHE H . . 4.030 3.586 3.482 3.654 . 0 0 "[ . 1 .]" 1
278 1 18 VAL MG1 1 19 PHE H . . 4.150 3.980 3.941 4.005 . 0 0 "[ . 1 .]" 1
279 1 18 VAL MG2 1 19 PHE H . . 3.610 2.023 1.942 2.085 . 0 0 "[ . 1 .]" 1
280 1 18 VAL MG2 1 19 PHE QB . . 5.130 3.192 3.096 3.281 . 0 0 "[ . 1 .]" 1
281 1 19 PHE H 1 19 PHE QB . . 3.590 2.086 2.063 2.098 . 0 0 "[ . 1 .]" 1
282 1 19 PHE H 1 19 PHE QD . . 4.820 3.245 2.831 3.556 . 0 0 "[ . 1 .]" 1
283 1 19 PHE H 1 20 LEU H . . 2.900 2.677 2.617 2.742 . 0 0 "[ . 1 .]" 1
284 1 19 PHE HA 1 22 VAL H . . 4.240 4.023 3.877 4.118 . 0 0 "[ . 1 .]" 1
285 1 19 PHE HA 1 22 VAL QG . . 4.120 2.764 2.643 2.842 . 0 0 "[ . 1 .]" 1
286 1 19 PHE HA 1 23 THR MG . . 5.500 5.575 5.525 5.639 0.139 13 0 "[ . 1 .]" 1
287 1 19 PHE QB 1 20 LEU H . . 3.700 2.655 2.573 2.789 . 0 0 "[ . 1 .]" 1
288 1 19 PHE QB 1 20 LEU HA . . 5.010 3.782 3.760 3.821 . 0 0 "[ . 1 .]" 1
289 1 19 PHE QB 1 20 LEU MD2 . . 5.070 3.009 2.599 3.526 . 0 0 "[ . 1 .]" 1
290 1 19 PHE QB 1 20 LEU HG . . 5.460 3.509 3.367 3.636 . 0 0 "[ . 1 .]" 1
291 1 19 PHE QB 1 22 VAL QG . . 5.080 4.216 4.137 4.282 . 0 0 "[ . 1 .]" 1
292 1 19 PHE QB 1 23 THR H . . 5.340 4.747 4.637 4.829 . 0 0 "[ . 1 .]" 1
293 1 19 PHE QB 1 23 THR HB . . 5.500 4.121 4.032 4.181 . 0 0 "[ . 1 .]" 1
294 1 19 PHE QB 1 23 THR MG . . 4.760 4.501 4.387 4.581 . 0 0 "[ . 1 .]" 1
295 1 19 PHE QD 1 20 LEU H . . 4.790 4.572 4.524 4.639 . 0 0 "[ . 1 .]" 1
296 1 19 PHE QD 1 20 LEU HA . . 5.500 5.330 5.160 5.386 . 0 0 "[ . 1 .]" 1
297 1 19 PHE QD 1 23 THR H . . 5.060 4.753 4.391 5.101 0.041 11 0 "[ . 1 .]" 1
298 1 19 PHE QD 1 23 THR MG . . 4.890 4.728 4.265 4.939 0.049 3 0 "[ . 1 .]" 1
299 1 20 LEU H 1 20 LEU HB2 . . 3.630 2.535 2.409 2.632 . 0 0 "[ . 1 .]" 1
300 1 20 LEU H 1 20 LEU HB3 . . 3.790 3.589 3.577 3.597 . 0 0 "[ . 1 .]" 1
301 1 20 LEU H 1 20 LEU MD1 . . 3.830 3.728 3.679 3.790 . 0 0 "[ . 1 .]" 1
302 1 20 LEU H 1 20 LEU MD2 . . 3.940 3.015 2.687 3.352 . 0 0 "[ . 1 .]" 1
303 1 20 LEU H 1 20 LEU HG . . 3.190 2.244 2.137 2.399 . 0 0 "[ . 1 .]" 1
304 1 20 LEU H 1 21 LEU H . . 3.520 2.573 2.513 2.638 . 0 0 "[ . 1 .]" 1
305 1 20 LEU H 1 21 LEU MD2 . . 5.330 5.373 5.345 5.420 0.090 12 0 "[ . 1 .]" 1
306 1 20 LEU H 1 21 LEU HG . . 5.120 4.524 4.474 4.607 . 0 0 "[ . 1 .]" 1
307 1 20 LEU H 1 23 THR H . . 4.840 4.799 4.730 4.852 0.012 1 0 "[ . 1 .]" 1
308 1 20 LEU H 1 23 THR HB . . 5.500 4.355 4.296 4.465 . 0 0 "[ . 1 .]" 1
309 1 20 LEU HA 1 20 LEU MD1 . . 3.980 3.824 3.795 3.857 . 0 0 "[ . 1 .]" 1
310 1 20 LEU HA 1 20 LEU MD2 . . 3.900 2.112 1.984 2.189 . 0 0 "[ . 1 .]" 1
311 1 20 LEU HA 1 20 LEU HG . . 4.190 3.291 3.107 3.441 . 0 0 "[ . 1 .]" 1
312 1 20 LEU HA 1 22 VAL QG . . 5.160 4.441 4.349 4.501 . 0 0 "[ . 1 .]" 1
313 1 20 LEU HA 1 23 THR H . . 4.650 3.620 3.481 3.727 . 0 0 "[ . 1 .]" 1
314 1 20 LEU HA 1 23 THR HB . . 4.430 2.082 1.968 2.222 . 0 0 "[ . 1 .]" 1
315 1 20 LEU HA 1 24 LEU H . . 4.780 3.585 3.442 3.775 . 0 0 "[ . 1 .]" 1
316 1 20 LEU HA 1 24 LEU MD2 . . 5.500 4.853 4.509 5.505 0.005 3 0 "[ . 1 .]" 1
317 1 20 LEU HB2 1 20 LEU MD1 . . 2.870 2.433 2.355 2.465 . 0 0 "[ . 1 .]" 1
318 1 20 LEU HB2 1 20 LEU MD2 . . 3.310 3.185 3.174 3.192 . 0 0 "[ . 1 .]" 1
319 1 20 LEU HB2 1 21 LEU H . . 3.970 2.731 2.653 2.815 . 0 0 "[ . 1 .]" 1
320 1 20 LEU HB2 1 23 THR HB . . 5.230 5.035 4.929 5.198 . 0 0 "[ . 1 .]" 1
321 1 20 LEU HB3 1 20 LEU MD1 . . 2.870 2.208 2.154 2.349 . 0 0 "[ . 1 .]" 1
322 1 20 LEU HB3 1 20 LEU MD2 . . 3.320 2.377 2.313 2.438 . 0 0 "[ . 1 .]" 1
323 1 20 LEU HB3 1 20 LEU HG . . 3.020 3.014 3.007 3.018 . 0 0 "[ . 1 .]" 1
324 1 20 LEU HB3 1 21 LEU H . . 4.040 3.814 3.649 3.943 . 0 0 "[ . 1 .]" 1
325 1 20 LEU HB3 1 23 THR HB . . 5.160 4.348 4.195 4.524 . 0 0 "[ . 1 .]" 1
326 1 21 LEU H 1 21 LEU HB2 . . 4.050 2.364 2.331 2.419 . 0 0 "[ . 1 .]" 1
327 1 21 LEU H 1 21 LEU MD1 . . 4.030 3.760 3.723 3.801 . 0 0 "[ . 1 .]" 1
328 1 21 LEU H 1 21 LEU MD2 . . 4.100 3.429 3.357 3.488 . 0 0 "[ . 1 .]" 1
329 1 21 LEU H 1 21 LEU HG . . 3.870 2.498 2.411 2.557 . 0 0 "[ . 1 .]" 1
330 1 21 LEU H 1 22 VAL H . . 3.910 3.004 2.902 3.083 . 0 0 "[ . 1 .]" 1
331 1 21 LEU HA 1 21 LEU MD1 . . 4.070 3.814 3.801 3.823 . 0 0 "[ . 1 .]" 1
332 1 21 LEU HA 1 21 LEU MD2 . . 3.310 2.065 2.012 2.115 . 0 0 "[ . 1 .]" 1
333 1 21 LEU HA 1 21 LEU HG . . 3.870 2.997 2.969 3.031 . 0 0 "[ . 1 .]" 1
334 1 21 LEU HA 1 24 LEU H . . 4.490 4.209 4.058 4.308 . 0 0 "[ . 1 .]" 1
335 1 21 LEU HA 1 24 LEU HB2 . . 3.980 3.512 3.225 3.903 . 0 0 "[ . 1 .]" 1
336 1 21 LEU HA 1 25 ALA H . . 5.110 5.181 5.147 5.234 0.124 3 0 "[ . 1 .]" 1
337 1 21 LEU HB2 1 21 LEU MD1 . . 3.420 2.288 2.250 2.391 . 0 0 "[ . 1 .]" 1
338 1 21 LEU HB2 1 22 VAL H . . 4.510 2.356 2.218 2.489 . 0 0 "[ . 1 .]" 1
339 1 21 LEU HB2 1 22 VAL HA . . 5.500 4.585 4.512 4.655 . 0 0 "[ . 1 .]" 1
340 1 21 LEU HB3 1 21 LEU MD1 . . 3.420 2.346 2.244 2.408 . 0 0 "[ . 1 .]" 1
341 1 21 LEU HB3 1 21 LEU MD2 . . 3.420 2.328 2.303 2.354 . 0 0 "[ . 1 .]" 1
342 1 21 LEU HB3 1 22 VAL H . . 4.200 3.071 2.893 3.211 . 0 0 "[ . 1 .]" 1
343 1 21 LEU HB3 1 22 VAL HA . . 5.500 4.128 4.038 4.181 . 0 0 "[ . 1 .]" 1
344 1 21 LEU MD1 1 22 VAL H . . 4.360 4.248 4.111 4.381 0.021 5 0 "[ . 1 .]" 1
345 1 21 LEU MD2 1 22 VAL H . . 5.050 4.531 4.463 4.588 . 0 0 "[ . 1 .]" 1
346 1 21 LEU HG 1 22 VAL H . . 5.400 4.481 4.393 4.563 . 0 0 "[ . 1 .]" 1
347 1 22 VAL H 1 22 VAL HB . . 3.820 3.008 2.671 3.638 . 0 0 "[ . 1 .]" 1
348 1 22 VAL H 1 22 VAL QG . . 3.510 1.808 1.764 1.855 . 0 0 "[ . 1 .]" 1
349 1 22 VAL H 1 23 THR H . . 3.780 2.523 2.448 2.633 . 0 0 "[ . 1 .]" 1
350 1 22 VAL H 1 23 THR HB . . 5.500 4.540 4.426 4.676 . 0 0 "[ . 1 .]" 1
351 1 22 VAL HA 1 25 ALA H . . 4.410 3.717 3.645 3.775 . 0 0 "[ . 1 .]" 1
352 1 22 VAL HA 1 25 ALA MB . . 3.840 3.340 3.214 3.452 . 0 0 "[ . 1 .]" 1
353 1 22 VAL HA 1 26 ILE H . . 4.810 4.619 4.505 4.718 . 0 0 "[ . 1 .]" 1
354 1 22 VAL HB 1 23 THR H . . 4.280 3.704 2.981 3.861 . 0 0 "[ . 1 .]" 1
355 1 22 VAL QG 1 23 THR H . . 4.080 1.865 1.785 1.894 . 0 0 "[ . 1 .]" 1
356 1 22 VAL QG 1 25 ALA MB . . 4.400 3.676 3.276 4.270 . 0 0 "[ . 1 .]" 1
357 1 23 THR H 1 23 THR HB . . 4.200 2.487 2.453 2.552 . 0 0 "[ . 1 .]" 1
358 1 23 THR H 1 23 THR MG . . 3.890 3.763 3.756 3.774 . 0 0 "[ . 1 .]" 1
359 1 23 THR H 1 24 LEU H . . 3.780 2.803 2.770 2.847 . 0 0 "[ . 1 .]" 1
360 1 23 THR H 1 24 LEU HB2 . . 4.960 4.691 4.565 4.895 . 0 0 "[ . 1 .]" 1
361 1 23 THR H 1 25 ALA H . . 5.110 5.068 5.034 5.118 0.008 5 0 "[ . 1 .]" 1
362 1 23 THR H 1 25 ALA MB . . 5.430 5.462 5.417 5.511 0.081 14 0 "[ . 1 .]" 1
363 1 23 THR HA 1 23 THR MG . . 3.610 2.435 2.407 2.483 . 0 0 "[ . 1 .]" 1
364 1 23 THR HA 1 24 LEU HB2 . . 5.500 5.536 5.472 5.656 0.156 12 0 "[ . 1 .]" 1
365 1 23 THR HA 1 25 ALA H . . 5.150 5.142 5.114 5.158 0.008 12 0 "[ . 1 .]" 1
366 1 23 THR HA 1 26 ILE H . . 4.340 3.777 3.746 3.813 . 0 0 "[ . 1 .]" 1
367 1 23 THR HA 1 26 ILE HB . . 4.840 3.268 3.230 3.325 . 0 0 "[ . 1 .]" 1
368 1 23 THR HA 1 26 ILE MD . . 4.000 2.164 1.990 2.315 . 0 0 "[ . 1 .]" 1
369 1 23 THR HA 1 26 ILE HG12 . . 4.810 3.866 3.789 3.971 . 0 0 "[ . 1 .]" 1
370 1 23 THR HA 1 27 LEU H . . 5.140 4.911 4.874 4.952 . 0 0 "[ . 1 .]" 1
371 1 23 THR HB 1 24 LEU H . . 3.450 2.937 2.884 2.995 . 0 0 "[ . 1 .]" 1
372 1 23 THR HB 1 24 LEU HB2 . . 5.470 4.666 4.441 4.828 . 0 0 "[ . 1 .]" 1
373 1 23 THR MG 1 24 LEU H . . 3.850 3.512 3.406 3.578 . 0 0 "[ . 1 .]" 1
374 1 24 LEU H 1 24 LEU HB2 . . 3.690 2.130 2.044 2.279 . 0 0 "[ . 1 .]" 1
375 1 24 LEU H 1 24 LEU MD1 . . 4.330 4.067 3.930 4.255 . 0 0 "[ . 1 .]" 1
376 1 24 LEU H 1 24 LEU MD2 . . 4.240 3.881 3.600 4.089 . 0 0 "[ . 1 .]" 1
377 1 24 LEU H 1 24 LEU HG . . 4.630 3.608 3.039 4.554 . 0 0 "[ . 1 .]" 1
378 1 24 LEU H 1 25 ALA H . . 3.920 2.977 2.948 3.012 . 0 0 "[ . 1 .]" 1
379 1 24 LEU HA 1 24 LEU MD1 . . 3.990 3.481 2.550 3.781 . 0 0 "[ . 1 .]" 1
380 1 24 LEU HA 1 24 LEU MD2 . . 2.400 2.062 1.980 2.169 . 0 0 "[ . 1 .]" 1
381 1 24 LEU HA 1 24 LEU HG . . 4.100 3.011 2.678 3.698 . 0 0 "[ . 1 .]" 1
382 1 24 LEU HA 1 27 LEU H . . 4.510 3.666 3.646 3.685 . 0 0 "[ . 1 .]" 1
383 1 24 LEU HA 1 27 LEU HB2 . . 4.140 3.652 3.371 3.972 . 0 0 "[ . 1 .]" 1
384 1 24 LEU HA 1 28 THR H . . 5.500 5.399 5.379 5.414 . 0 0 "[ . 1 .]" 1
385 1 24 LEU HB2 1 24 LEU MD1 . . 3.230 2.630 2.326 3.194 . 0 0 "[ . 1 .]" 1
386 1 24 LEU HB2 1 24 LEU MD2 . . 3.220 2.949 2.247 3.189 . 0 0 "[ . 1 .]" 1
387 1 24 LEU HB2 1 25 ALA H . . 4.200 2.773 2.424 3.359 . 0 0 "[ . 1 .]" 1
388 1 24 LEU HB3 1 24 LEU MD1 . . 3.580 2.248 2.208 2.351 . 0 0 "[ . 1 .]" 1
389 1 24 LEU HB3 1 24 LEU MD2 . . 3.560 2.576 2.329 3.191 . 0 0 "[ . 1 .]" 1
390 1 24 LEU HB3 1 25 ALA H . . 4.100 2.272 1.939 2.543 . 0 0 "[ . 1 .]" 1
391 1 24 LEU MD1 1 25 ALA H . . 4.310 3.788 2.859 4.095 . 0 0 "[ . 1 .]" 1
392 1 24 LEU MD1 1 25 ALA HA . . 5.080 4.611 2.804 5.308 0.228 10 0 "[ . 1 .]" 1
393 1 24 LEU MD2 1 25 ALA H . . 4.670 4.201 3.928 4.446 . 0 0 "[ . 1 .]" 1
394 1 24 LEU MD2 1 25 ALA HA . . 5.500 4.832 4.281 5.357 . 0 0 "[ . 1 .]" 1
395 1 25 ALA H 1 25 ALA HA . . 2.910 2.693 2.690 2.695 . 0 0 "[ . 1 .]" 1
396 1 25 ALA H 1 25 ALA MB . . 3.280 2.151 2.053 2.246 . 0 0 "[ . 1 .]" 1
397 1 25 ALA H 1 26 ILE H . . 3.870 2.979 2.976 2.983 . 0 0 "[ . 1 .]" 1
398 1 25 ALA H 1 26 ILE HG12 . . 5.500 5.554 5.535 5.573 0.073 12 0 "[ . 1 .]" 1
399 1 25 ALA H 1 26 ILE HG13 . . 4.540 4.364 4.324 4.419 . 0 0 "[ . 1 .]" 1
400 1 25 ALA HA 1 28 THR H . . 4.190 3.474 3.465 3.490 . 0 0 "[ . 1 .]" 1
401 1 25 ALA HA 1 28 THR HB . . 4.650 3.820 3.782 3.879 . 0 0 "[ . 1 .]" 1
402 1 25 ALA HA 1 28 THR MG . . 4.980 4.337 4.293 4.372 . 0 0 "[ . 1 .]" 1
403 1 25 ALA MB 1 26 ILE H . . 3.490 2.554 2.500 2.618 . 0 0 "[ . 1 .]" 1
404 1 25 ALA MB 1 26 ILE HA . . 4.340 3.728 3.659 3.798 . 0 0 "[ . 1 .]" 1
405 1 25 ALA MB 1 26 ILE HB . . 5.280 4.867 4.843 4.890 . 0 0 "[ . 1 .]" 1
406 1 25 ALA MB 1 26 ILE MD . . 4.850 4.764 4.730 4.793 . 0 0 "[ . 1 .]" 1
407 1 25 ALA MB 1 26 ILE HG12 . . 3.920 3.950 3.924 3.974 0.054 14 0 "[ . 1 .]" 1
408 1 26 ILE H 1 26 ILE HB . . 3.870 2.712 2.690 2.731 . 0 0 "[ . 1 .]" 1
409 1 26 ILE H 1 26 ILE MD . . 3.870 3.658 3.631 3.692 . 0 0 "[ . 1 .]" 1
410 1 26 ILE H 1 26 ILE HG12 . . 3.860 2.829 2.809 2.847 . 0 0 "[ . 1 .]" 1
411 1 26 ILE H 1 26 ILE HG13 . . 3.990 1.985 1.946 2.035 . 0 0 "[ . 1 .]" 1
412 1 26 ILE H 1 26 ILE MG . . 3.980 3.761 3.758 3.764 . 0 0 "[ . 1 .]" 1
413 1 26 ILE H 1 27 LEU H . . 4.280 2.984 2.971 2.997 . 0 0 "[ . 1 .]" 1
414 1 26 ILE H 1 27 LEU HA . . 5.500 5.511 5.501 5.520 0.020 7 0 "[ . 1 .]" 1
415 1 26 ILE H 1 28 THR H . . 4.300 4.106 4.098 4.116 . 0 0 "[ . 1 .]" 1
416 1 26 ILE HA 1 26 ILE MD . . 4.200 3.734 3.706 3.759 . 0 0 "[ . 1 .]" 1
417 1 26 ILE HA 1 26 ILE HG13 . . 4.180 3.273 3.254 3.292 . 0 0 "[ . 1 .]" 1
418 1 26 ILE HA 1 28 THR H . . 5.190 3.845 3.832 3.859 . 0 0 "[ . 1 .]" 1
419 1 26 ILE HA 1 29 ALA H . . 4.520 3.480 3.470 3.494 . 0 0 "[ . 1 .]" 1
420 1 26 ILE HA 1 29 ALA MB . . 4.540 3.410 3.377 3.447 . 0 0 "[ . 1 .]" 1
421 1 26 ILE HB 1 26 ILE MD . . 3.430 2.500 2.469 2.535 . 0 0 "[ . 1 .]" 1
422 1 26 ILE HB 1 27 LEU H . . 3.860 2.345 2.327 2.365 . 0 0 "[ . 1 .]" 1
423 1 26 ILE HB 1 27 LEU HB3 . . 5.500 5.095 4.795 5.346 . 0 0 "[ . 1 .]" 1
424 1 26 ILE HB 1 29 ALA H . . 5.500 5.496 5.477 5.521 0.021 2 0 "[ . 1 .]" 1
425 1 26 ILE MD 1 26 ILE MG . . 2.400 1.959 1.922 1.992 . 0 0 "[ . 1 .]" 1
426 1 26 ILE HG12 1 26 ILE MG . . 3.370 2.483 2.429 2.516 . 0 0 "[ . 1 .]" 1
427 1 26 ILE MG 1 27 LEU H . . 3.670 3.356 3.312 3.419 . 0 0 "[ . 1 .]" 1
428 1 26 ILE MG 1 27 LEU HA . . 3.970 3.508 3.433 3.660 . 0 0 "[ . 1 .]" 1
429 1 26 ILE MG 1 29 ALA H . . 4.310 4.155 4.055 4.192 . 0 0 "[ . 1 .]" 1
430 1 26 ILE MG 1 29 ALA MB . . 3.240 3.175 3.070 3.207 . 0 0 "[ . 1 .]" 1
431 1 27 LEU H 1 27 LEU HB2 . . 2.550 2.274 2.100 2.530 . 0 0 "[ . 1 .]" 1
432 1 27 LEU H 1 27 LEU HB3 . . 3.780 2.805 2.492 3.051 . 0 0 "[ . 1 .]" 1
433 1 27 LEU H 1 27 LEU QD . . 4.170 3.587 3.178 3.716 . 0 0 "[ . 1 .]" 1
434 1 27 LEU H 1 27 LEU HG . . 4.630 4.343 4.105 4.541 . 0 0 "[ . 1 .]" 1
435 1 27 LEU H 1 28 THR H . . 4.280 2.793 2.785 2.796 . 0 0 "[ . 1 .]" 1
436 1 27 LEU H 1 29 ALA H . . 4.940 4.551 4.536 4.576 . 0 0 "[ . 1 .]" 1
437 1 27 LEU HA 1 27 LEU QD . . 2.790 2.334 2.007 2.733 . 0 0 "[ . 1 .]" 1
438 1 27 LEU HA 1 27 LEU HG . . 4.170 2.996 2.364 3.668 . 0 0 "[ . 1 .]" 1
439 1 27 LEU HA 1 29 ALA H . . 4.630 4.278 4.246 4.311 . 0 0 "[ . 1 .]" 1
440 1 27 LEU HA 1 30 LEU H . . 4.810 3.657 3.637 3.675 . 0 0 "[ . 1 .]" 1
441 1 27 LEU HA 1 31 ARG H . . 5.210 5.108 5.080 5.124 . 0 0 "[ . 1 .]" 1
442 1 27 LEU HB2 1 27 LEU QD . . 3.040 2.126 2.039 2.252 . 0 0 "[ . 1 .]" 1
443 1 27 LEU HB2 1 28 THR H . . 4.290 3.861 3.661 4.101 . 0 0 "[ . 1 .]" 1
444 1 27 LEU HB3 1 27 LEU QD . . 2.690 2.199 2.039 2.375 . 0 0 "[ . 1 .]" 1
445 1 27 LEU HB3 1 28 THR H . . 4.380 2.948 2.910 3.005 . 0 0 "[ . 1 .]" 1
446 1 27 LEU QD 1 28 THR H . . 4.310 3.909 3.768 4.104 . 0 0 "[ . 1 .]" 1
447 1 27 LEU QD 1 30 LEU H . . 3.900 3.800 3.649 3.877 . 0 0 "[ . 1 .]" 1
448 1 27 LEU QD 1 31 ARG QD . . 5.170 3.850 3.331 4.683 . 0 0 "[ . 1 .]" 1
449 1 28 THR H 1 28 THR HB . . 4.090 2.709 2.700 2.719 . 0 0 "[ . 1 .]" 1
450 1 28 THR H 1 28 THR MG . . 4.140 3.752 3.750 3.754 . 0 0 "[ . 1 .]" 1
451 1 28 THR H 1 29 ALA H . . 4.130 2.728 2.719 2.743 . 0 0 "[ . 1 .]" 1
452 1 28 THR H 1 30 LEU H . . 5.440 4.202 4.179 4.227 . 0 0 "[ . 1 .]" 1
453 1 28 THR HA 1 28 THR MG . . 3.680 2.224 2.183 2.342 . 0 0 "[ . 1 .]" 1
454 1 28 THR HA 1 31 ARG H . . 5.500 3.136 3.115 3.159 . 0 0 "[ . 1 .]" 1
455 1 28 THR HA 1 31 ARG HB3 . . 5.270 3.715 3.627 3.849 . 0 0 "[ . 1 .]" 1
456 1 28 THR HA 1 32 LEU H . . 5.330 4.373 4.288 4.458 . 0 0 "[ . 1 .]" 1
457 1 28 THR HA 1 32 LEU QD . . 5.450 3.883 3.525 4.331 . 0 0 "[ . 1 .]" 1
458 1 28 THR HB 1 29 ALA H . . 4.210 2.550 2.521 2.570 . 0 0 "[ . 1 .]" 1
459 1 28 THR HB 1 29 ALA HA . . 5.080 4.022 4.017 4.030 . 0 0 "[ . 1 .]" 1
460 1 28 THR HB 1 32 LEU H . . 5.500 5.526 5.476 5.587 0.087 13 0 "[ . 1 .]" 1
461 1 28 THR MG 1 29 ALA H . . 4.030 3.667 3.636 3.682 . 0 0 "[ . 1 .]" 1
462 1 28 THR MG 1 29 ALA HA . . 3.980 3.885 3.826 3.944 . 0 0 "[ . 1 .]" 1
463 1 28 THR MG 1 32 LEU HG . . 4.050 3.382 2.684 4.051 0.001 5 0 "[ . 1 .]" 1
464 1 29 ALA H 1 29 ALA HA . . 2.830 2.731 2.728 2.733 . 0 0 "[ . 1 .]" 1
465 1 29 ALA H 1 29 ALA MB . . 2.770 2.194 2.153 2.242 . 0 0 "[ . 1 .]" 1
466 1 29 ALA H 1 31 ARG H . . 5.140 4.439 4.407 4.484 . 0 0 "[ . 1 .]" 1
467 1 29 ALA HA 1 31 ARG H . . 4.670 4.609 4.566 4.670 . 0 0 "[ . 1 .]" 1
468 1 29 ALA HA 1 32 LEU H . . 4.270 3.994 3.913 4.045 . 0 0 "[ . 1 .]" 1
469 1 29 ALA HA 1 32 LEU HB2 . . 3.930 3.593 3.361 3.848 . 0 0 "[ . 1 .]" 1
470 1 29 ALA HA 1 32 LEU HB3 . . 5.500 5.104 4.988 5.259 . 0 0 "[ . 1 .]" 1
471 1 29 ALA HA 1 32 LEU QD . . 4.510 2.571 2.099 2.989 . 0 0 "[ . 1 .]" 1
472 1 29 ALA HA 1 32 LEU HG . . 5.500 4.152 2.723 5.469 . 0 0 "[ . 1 .]" 1
473 1 29 ALA MB 1 30 LEU H . . 4.110 2.783 2.739 2.830 . 0 0 "[ . 1 .]" 1
474 1 29 ALA MB 1 30 LEU MD2 . . 3.090 2.633 2.565 2.831 . 0 0 "[ . 1 .]" 1
475 1 30 LEU H 1 30 LEU QB . . 3.790 2.226 2.124 2.308 . 0 0 "[ . 1 .]" 1
476 1 30 LEU H 1 30 LEU MD1 . . 4.120 3.711 3.415 4.006 . 0 0 "[ . 1 .]" 1
477 1 30 LEU H 1 30 LEU MD2 . . 3.860 2.117 1.978 2.361 . 0 0 "[ . 1 .]" 1
478 1 30 LEU H 1 30 LEU HG . . 4.130 3.994 3.943 4.128 . 0 0 "[ . 1 .]" 1
479 1 30 LEU H 1 31 ARG H . . 2.700 2.568 2.536 2.590 . 0 0 "[ . 1 .]" 1
480 1 30 LEU HA 1 30 LEU MD1 . . 3.210 2.062 1.963 2.129 . 0 0 "[ . 1 .]" 1
481 1 30 LEU HA 1 30 LEU MD2 . . 3.200 2.720 2.389 2.967 . 0 0 "[ . 1 .]" 1
482 1 30 LEU HA 1 32 LEU H . . 4.940 4.761 4.679 4.812 . 0 0 "[ . 1 .]" 1
483 1 30 LEU HA 1 33 ALA H . . 4.120 3.476 3.463 3.488 . 0 0 "[ . 1 .]" 1
484 1 30 LEU HA 1 33 ALA MB . . 3.600 2.497 2.408 2.588 . 0 0 "[ . 1 .]" 1
485 1 30 LEU QB 1 30 LEU MD1 . . 3.010 2.266 2.235 2.338 . 0 0 "[ . 1 .]" 1
486 1 30 LEU QB 1 31 ARG H . . 4.140 2.537 2.499 2.578 . 0 0 "[ . 1 .]" 1
487 1 31 ARG H 1 31 ARG HB2 . . 4.170 2.093 2.073 2.116 . 0 0 "[ . 1 .]" 1
488 1 31 ARG H 1 31 ARG HB3 . . 3.760 3.124 3.064 3.188 . 0 0 "[ . 1 .]" 1
489 1 31 ARG H 1 31 ARG QD . . 4.360 3.431 3.076 4.147 . 0 0 "[ . 1 .]" 1
490 1 31 ARG H 1 31 ARG HE . . 5.130 4.686 4.419 5.187 0.057 12 0 "[ . 1 .]" 1
491 1 31 ARG H 1 31 ARG HG2 . . 5.040 4.540 4.469 4.629 . 0 0 "[ . 1 .]" 1
492 1 31 ARG H 1 31 ARG HG3 . . 5.370 4.269 3.842 4.444 . 0 0 "[ . 1 .]" 1
493 1 31 ARG H 1 32 LEU H . . 3.910 2.985 2.947 3.005 . 0 0 "[ . 1 .]" 1
494 1 31 ARG H 1 33 ALA H . . 4.210 4.047 4.018 4.090 . 0 0 "[ . 1 .]" 1
495 1 31 ARG HA 1 31 ARG QD . . 4.410 2.650 2.018 3.940 . 0 0 "[ . 1 .]" 1
496 1 31 ARG HA 1 31 ARG HE . . 4.960 4.459 3.902 4.710 . 0 0 "[ . 1 .]" 1
497 1 31 ARG HA 1 31 ARG HG3 . . 3.530 2.349 2.104 2.561 . 0 0 "[ . 1 .]" 1
498 1 31 ARG HA 1 34 ALA H . . 4.360 3.520 3.447 3.547 . 0 0 "[ . 1 .]" 1
499 1 31 ARG HB2 1 32 LEU H . . 4.550 3.187 3.120 3.278 . 0 0 "[ . 1 .]" 1
500 1 31 ARG HB3 1 32 LEU H . . 4.650 2.307 2.237 2.436 . 0 0 "[ . 1 .]" 1
501 1 31 ARG HB3 1 32 LEU HA . . 3.890 3.753 3.735 3.782 . 0 0 "[ . 1 .]" 1
502 1 31 ARG HB3 1 32 LEU QD . . 3.500 2.616 2.317 2.937 . 0 0 "[ . 1 .]" 1
503 1 31 ARG HG2 1 31 ARG QH1 . . 5.500 3.924 2.328 4.349 . 0 0 "[ . 1 .]" 1
504 1 31 ARG HG3 1 31 ARG QH1 . . 5.500 3.918 2.191 4.286 . 0 0 "[ . 1 .]" 1
505 1 31 ARG HG3 1 35 TYR H . . 5.500 5.756 5.495 6.424 0.924 2 3 "[ +- . * .]" 1
506 1 32 LEU H 1 32 LEU QD . . 4.220 2.090 1.989 2.268 . 0 0 "[ . 1 .]" 1
507 1 32 LEU H 1 32 LEU HG . . 4.010 2.501 1.923 3.239 . 0 0 "[ . 1 .]" 1
508 1 32 LEU H 1 33 ALA H . . 4.000 2.789 2.777 2.805 . 0 0 "[ . 1 .]" 1
509 1 32 LEU H 1 33 ALA MB . . 4.500 4.381 4.354 4.428 . 0 0 "[ . 1 .]" 1
510 1 32 LEU H 1 34 ALA H . . 4.720 4.282 4.219 4.332 . 0 0 "[ . 1 .]" 1
511 1 32 LEU H 1 35 TYR QD . . 5.500 5.525 5.508 5.544 0.044 3 0 "[ . 1 .]" 1
512 1 32 LEU HA 1 32 LEU QD . . 3.700 2.689 2.243 3.092 . 0 0 "[ . 1 .]" 1
513 1 32 LEU HA 1 34 ALA H . . 4.530 3.939 3.872 3.987 . 0 0 "[ . 1 .]" 1
514 1 32 LEU HA 1 43 SER H . . 3.760 3.735 3.546 3.829 0.069 2 0 "[ . 1 .]" 1
515 1 32 LEU HB2 1 33 ALA H . . 2.850 2.818 2.771 2.852 0.002 2 0 "[ . 1 .]" 1
516 1 32 LEU HB3 1 33 ALA H . . 4.380 3.878 3.648 4.051 . 0 0 "[ . 1 .]" 1
517 1 32 LEU QD 1 33 ALA H . . 4.610 3.833 3.654 4.009 . 0 0 "[ . 1 .]" 1
518 1 32 LEU HG 1 33 ALA H . . 5.500 4.440 3.888 4.995 . 0 0 "[ . 1 .]" 1
519 1 33 ALA H 1 33 ALA MB . . 2.970 2.085 2.040 2.152 . 0 0 "[ . 1 .]" 1
520 1 33 ALA H 1 34 ALA H . . 4.090 2.665 2.619 2.709 . 0 0 "[ . 1 .]" 1
521 1 33 ALA H 1 34 ALA MB . . 4.420 4.308 4.265 4.377 . 0 0 "[ . 1 .]" 1
522 1 33 ALA H 1 35 TYR H . . 4.730 4.412 4.360 4.466 . 0 0 "[ . 1 .]" 1
523 1 33 ALA H 1 35 TYR HB2 . . 5.500 5.456 5.389 5.516 0.016 14 0 "[ . 1 .]" 1
524 1 33 ALA H 1 35 TYR QD . . 5.500 5.611 5.582 5.636 0.136 3 0 "[ . 1 .]" 1
525 1 33 ALA HA 1 35 TYR H . . 4.580 4.404 4.335 4.443 . 0 0 "[ . 1 .]" 1
526 1 33 ALA MB 1 34 ALA H . . 3.340 2.813 2.716 2.894 . 0 0 "[ . 1 .]" 1
527 1 34 ALA H 1 34 ALA MB . . 3.400 2.172 2.064 2.235 . 0 0 "[ . 1 .]" 1
528 1 34 ALA H 1 35 TYR H . . 3.650 2.684 2.668 2.699 . 0 0 "[ . 1 .]" 1
529 1 34 ALA HA 1 36 ALA H . . 4.620 3.879 3.844 3.933 . 0 0 "[ . 1 .]" 1
530 1 34 ALA MB 1 35 TYR H . . 4.060 2.505 2.472 2.597 . 0 0 "[ . 1 .]" 1
531 1 35 TYR H 1 35 TYR HB2 . . 4.090 2.262 2.245 2.280 . 0 0 "[ . 1 .]" 1
532 1 35 TYR H 1 35 TYR HB3 . . 4.050 3.538 3.530 3.545 . 0 0 "[ . 1 .]" 1
533 1 35 TYR H 1 35 TYR QD . . 4.280 2.087 2.022 2.158 . 0 0 "[ . 1 .]" 1
534 1 35 TYR H 1 35 TYR QE . . 4.660 4.445 4.382 4.507 . 0 0 "[ . 1 .]" 1
535 1 35 TYR H 1 36 ALA H . . 4.290 2.597 2.562 2.633 . 0 0 "[ . 1 .]" 1
536 1 35 TYR H 1 37 ALA H . . 4.390 4.286 4.251 4.318 . 0 0 "[ . 1 .]" 1
537 1 35 TYR HA 1 35 TYR QD . . 3.840 2.939 2.902 3.011 . 0 0 "[ . 1 .]" 1
538 1 35 TYR HA 1 35 TYR QE . . 4.720 4.526 4.515 4.545 . 0 0 "[ . 1 .]" 1
539 1 35 TYR HA 1 38 ASN H . . 4.620 3.587 3.504 3.635 . 0 0 "[ . 1 .]" 1
540 1 35 TYR HB2 1 36 ALA H . . 4.420 3.175 3.108 3.232 . 0 0 "[ . 1 .]" 1
541 1 35 TYR HB2 1 36 ALA MB . . 4.680 4.505 4.453 4.550 . 0 0 "[ . 1 .]" 1
542 1 35 TYR HB3 1 36 ALA H . . 4.230 3.802 3.734 3.856 . 0 0 "[ . 1 .]" 1
543 1 35 TYR HB3 1 37 ALA H . . 5.500 4.869 4.840 4.895 . 0 0 "[ . 1 .]" 1
544 1 35 TYR HB3 1 43 SER QB . . 5.120 3.407 3.310 3.582 . 0 0 "[ . 1 .]" 1
545 1 35 TYR QD 1 39 ILE MD . . 3.770 3.772 3.726 3.805 0.035 15 0 "[ . 1 .]" 1
546 1 35 TYR QD 1 39 ILE HG12 . . 4.810 5.001 4.170 5.236 0.426 1 0 "[ . 1 .]" 1
547 1 35 TYR QD 1 39 ILE HG13 . . 5.410 4.374 4.249 4.612 . 0 0 "[ . 1 .]" 1
548 1 35 TYR QE 1 39 ILE MD . . 5.120 5.107 4.972 5.166 0.046 4 0 "[ . 1 .]" 1
549 1 36 ALA H 1 36 ALA MB . . 3.390 2.106 2.047 2.207 . 0 0 "[ . 1 .]" 1
550 1 36 ALA H 1 37 ALA H . . 4.080 2.688 2.667 2.695 . 0 0 "[ . 1 .]" 1
551 1 36 ALA HA 1 38 ASN H . . 4.690 3.574 3.540 3.620 . 0 0 "[ . 1 .]" 1
552 1 37 ALA H 1 37 ALA MB . . 3.220 2.197 2.070 2.286 . 0 0 "[ . 1 .]" 1
553 1 37 ALA H 1 38 ASN H . . 3.600 2.447 2.398 2.479 . 0 0 "[ . 1 .]" 1
554 1 37 ALA MB 1 38 ASN H . . 3.480 3.172 3.112 3.215 . 0 0 "[ . 1 .]" 1
555 1 38 ASN H 1 38 ASN HB2 . . 4.150 2.578 2.329 2.825 . 0 0 "[ . 1 .]" 1
556 1 38 ASN H 1 38 ASN HB3 . . 4.110 3.222 2.611 3.710 . 0 0 "[ . 1 .]" 1
557 1 38 ASN H 1 38 ASN HD21 . . 4.930 4.476 2.580 5.146 0.216 8 0 "[ . 1 .]" 1
558 1 38 ASN H 1 39 ILE H . . 3.300 2.578 2.547 2.609 . 0 0 "[ . 1 .]" 1
559 1 38 ASN HA 1 38 ASN HD22 . . 4.080 4.013 3.433 4.557 0.477 3 0 "[ . 1 .]" 1
560 1 38 ASN HA 1 39 ILE HG12 . . 5.500 4.727 4.632 5.149 . 0 0 "[ . 1 .]" 1
561 1 38 ASN HB2 1 39 ILE H . . 3.980 2.699 1.948 3.482 . 0 0 "[ . 1 .]" 1
562 1 38 ASN HB3 1 39 ILE H . . 4.090 2.497 1.916 3.245 . 0 0 "[ . 1 .]" 1
563 1 39 ILE H 1 39 ILE HB . . 3.790 3.529 3.510 3.571 . 0 0 "[ . 1 .]" 1
564 1 39 ILE H 1 39 ILE MD . . 4.020 3.565 2.472 3.658 . 0 0 "[ . 1 .]" 1
565 1 39 ILE H 1 39 ILE HG12 . . 3.780 2.534 1.871 2.627 . 0 0 "[ . 1 .]" 1
566 1 39 ILE H 1 39 ILE HG13 . . 4.110 2.053 1.936 3.514 . 0 0 "[ . 1 .]" 1
567 1 39 ILE H 1 39 ILE MG . . 3.730 3.531 3.460 3.549 . 0 0 "[ . 1 .]" 1
568 1 39 ILE H 1 40 VAL H . . 3.560 2.478 2.465 2.496 . 0 0 "[ . 1 .]" 1
569 1 39 ILE HA 1 39 ILE MD . . 4.190 4.106 3.243 4.172 . 0 0 "[ . 1 .]" 1
570 1 39 ILE HA 1 39 ILE HG12 . . 4.070 3.523 3.493 3.556 . 0 0 "[ . 1 .]" 1
571 1 39 ILE HA 1 39 ILE HG13 . . 4.200 3.647 3.594 4.218 0.018 15 0 "[ . 1 .]" 1
572 1 39 ILE HA 1 39 ILE MG . . 3.310 2.054 1.957 2.168 . 0 0 "[ . 1 .]" 1
573 1 39 ILE HB 1 40 VAL H . . 4.250 2.487 2.469 2.551 . 0 0 "[ . 1 .]" 1
574 1 39 ILE HB 1 40 VAL HA . . 5.400 4.338 4.235 4.414 . 0 0 "[ . 1 .]" 1
575 1 39 ILE MD 1 39 ILE MG . . 2.400 2.176 1.880 2.266 . 0 0 "[ . 1 .]" 1
576 1 39 ILE HG12 1 39 ILE MG . . 3.530 2.287 2.156 3.155 . 0 0 "[ . 1 .]" 1
577 1 39 ILE HG12 1 40 VAL H . . 4.410 3.399 1.851 3.518 . 0 0 "[ . 1 .]" 1
578 1 39 ILE HG13 1 39 ILE MG . . 3.210 3.136 2.585 3.189 . 0 0 "[ . 1 .]" 1
579 1 39 ILE HG13 1 40 VAL H . . 5.040 1.983 1.905 2.900 . 0 0 "[ . 1 .]" 1
580 1 39 ILE MG 1 40 VAL H . . 4.080 3.861 3.851 3.871 . 0 0 "[ . 1 .]" 1
581 1 40 VAL H 1 40 VAL HB . . 3.860 3.399 2.940 3.938 0.078 13 0 "[ . 1 .]" 1
582 1 40 VAL H 1 40 VAL QG . . 3.420 2.325 2.019 2.599 . 0 0 "[ . 1 .]" 1
583 1 40 VAL H 1 41 ASN H . . 4.550 4.412 4.352 4.469 . 0 0 "[ . 1 .]" 1
584 1 40 VAL HA 1 40 VAL QG . . 2.760 2.060 1.943 2.258 . 0 0 "[ . 1 .]" 1
585 1 40 VAL HA 1 41 ASN H . . 3.350 2.540 2.421 2.671 . 0 0 "[ . 1 .]" 1
586 1 40 VAL HA 1 41 ASN HA . . 4.860 4.324 4.317 4.332 . 0 0 "[ . 1 .]" 1
587 1 40 VAL HB 1 41 ASN H . . 4.330 2.716 1.904 3.801 . 0 0 "[ . 1 .]" 1
588 1 40 VAL QG 1 41 ASN H . . 3.770 2.369 1.808 3.057 . 0 0 "[ . 1 .]" 1
589 1 40 VAL QG 1 42 VAL H . . 4.580 2.882 2.172 3.788 . 0 0 "[ . 1 .]" 1
590 1 41 ASN H 1 41 ASN QB . . 3.710 2.635 2.210 2.782 . 0 0 "[ . 1 .]" 1
591 1 41 ASN H 1 42 VAL H . . 4.580 3.343 2.933 3.655 . 0 0 "[ . 1 .]" 1
592 1 41 ASN H 1 42 VAL QG . . 4.830 3.837 3.291 4.402 . 0 0 "[ . 1 .]" 1
593 1 41 ASN HA 1 42 VAL H . . 3.520 2.713 2.535 2.947 . 0 0 "[ . 1 .]" 1
594 1 41 ASN HA 1 42 VAL HA . . 5.240 4.434 4.367 4.530 . 0 0 "[ . 1 .]" 1
595 1 41 ASN HA 1 42 VAL HB . . 5.390 5.248 4.974 5.475 0.085 9 0 "[ . 1 .]" 1
596 1 41 ASN HA 1 42 VAL QG . . 4.250 4.254 4.091 4.355 0.105 4 0 "[ . 1 .]" 1
597 1 41 ASN QB 1 42 VAL H . . 4.380 3.979 3.907 4.032 . 0 0 "[ . 1 .]" 1
598 1 41 ASN QB 1 42 VAL HA . . 4.740 4.436 4.284 4.628 . 0 0 "[ . 1 .]" 1
599 1 41 ASN QB 1 42 VAL QG . . 4.970 4.393 3.534 4.821 . 0 0 "[ . 1 .]" 1
600 1 42 VAL H 1 42 VAL HB . . 3.810 2.935 2.565 3.251 . 0 0 "[ . 1 .]" 1
601 1 42 VAL H 1 42 VAL QG . . 3.230 2.298 1.898 2.861 . 0 0 "[ . 1 .]" 1
602 1 42 VAL H 1 43 SER H . . 4.510 4.402 4.265 4.524 0.014 9 0 "[ . 1 .]" 1
603 1 42 VAL HA 1 42 VAL QG . . 3.300 2.165 2.098 2.292 . 0 0 "[ . 1 .]" 1
604 1 42 VAL HA 1 43 SER H . . 2.820 2.198 2.146 2.243 . 0 0 "[ . 1 .]" 1
605 1 42 VAL HB 1 43 SER H . . 4.160 4.070 3.902 4.213 0.053 13 0 "[ . 1 .]" 1
606 1 42 VAL QG 1 43 SER H . . 3.160 2.227 1.937 2.656 . 0 0 "[ . 1 .]" 1
607 1 43 SER H 1 43 SER QB . . 3.170 2.959 2.646 3.121 . 0 0 "[ . 1 .]" 1
608 1 43 SER HA 1 44 LEU H . . 3.410 2.548 2.531 2.557 . 0 0 "[ . 1 .]" 1
609 1 43 SER QB 1 44 LEU H . . 3.920 2.708 2.373 3.112 . 0 0 "[ . 1 .]" 1
610 1 44 LEU H 1 44 LEU QB . . 3.450 2.773 2.690 3.311 . 0 0 "[ . 1 .]" 1
611 1 44 LEU H 1 44 LEU MD1 . . 4.020 3.900 2.636 4.547 0.527 13 3 "[ .- 1 +*.]" 1
612 1 44 LEU H 1 44 LEU HG . . 3.920 3.655 2.348 3.934 0.014 4 0 "[ . 1 .]" 1
613 1 44 LEU H 1 45 VAL H . . 5.170 4.370 4.351 4.394 . 0 0 "[ . 1 .]" 1
614 1 44 LEU H 1 45 VAL HA . . 5.500 4.690 4.672 4.723 . 0 0 "[ . 1 .]" 1
615 1 44 LEU HA 1 44 LEU MD1 . . 3.820 3.743 3.377 4.119 0.299 2 0 "[ . 1 .]" 1
616 1 44 LEU HA 1 44 LEU HG . . 3.690 2.780 2.431 3.644 . 0 0 "[ . 1 .]" 1
617 1 44 LEU HA 1 45 VAL H . . 3.470 2.605 2.448 2.676 . 0 0 "[ . 1 .]" 1
618 1 44 LEU HA 1 45 VAL HB . . 4.360 4.293 4.189 4.409 0.049 13 0 "[ . 1 .]" 1
619 1 44 LEU QB 1 44 LEU MD1 . . 2.590 2.030 1.936 2.095 . 0 0 "[ . 1 .]" 1
620 1 44 LEU QB 1 45 VAL H . . 4.520 2.007 1.898 2.363 . 0 0 "[ . 1 .]" 1
621 1 44 LEU QB 1 46 LYS H . . 3.970 2.295 2.132 2.658 . 0 0 "[ . 1 .]" 1
622 1 44 LEU QB 1 46 LYS HB3 . . 3.830 2.992 2.900 3.126 . 0 0 "[ . 1 .]" 1
623 1 44 LEU QB 1 47 PRO HD3 . . 5.040 2.897 2.620 3.009 . 0 0 "[ . 1 .]" 1
624 1 44 LEU HG 1 45 VAL H . . 4.490 4.386 4.094 4.518 0.028 12 0 "[ . 1 .]" 1
625 1 45 VAL H 1 45 VAL HB . . 3.810 2.822 2.446 2.967 . 0 0 "[ . 1 .]" 1
626 1 45 VAL H 1 45 VAL MG1 . . 3.630 2.363 2.088 3.688 0.058 13 0 "[ . 1 .]" 1
627 1 45 VAL H 1 46 LYS H . . 3.650 1.972 1.884 2.110 . 0 0 "[ . 1 .]" 1
628 1 45 VAL H 1 46 LYS HB3 . . 4.870 3.990 3.871 4.175 . 0 0 "[ . 1 .]" 1
629 1 45 VAL H 1 47 PRO HD2 . . 4.620 3.227 2.933 3.381 . 0 0 "[ . 1 .]" 1
630 1 45 VAL H 1 48 THR H . . 5.160 4.975 4.823 5.121 . 0 0 "[ . 1 .]" 1
631 1 45 VAL HA 1 45 VAL MG1 . . 3.290 3.110 2.552 3.197 . 0 0 "[ . 1 .]" 1
632 1 45 VAL HA 1 45 VAL MG2 . . 3.040 2.207 2.079 2.250 . 0 0 "[ . 1 .]" 1
633 1 45 VAL HA 1 46 LYS H . . 3.480 3.340 3.298 3.447 . 0 0 "[ . 1 .]" 1
634 1 45 VAL HA 1 47 PRO HD2 . . 4.300 3.324 3.229 3.411 . 0 0 "[ . 1 .]" 1
635 1 45 VAL HB 1 46 LYS H . . 4.540 4.064 3.125 4.240 . 0 0 "[ . 1 .]" 1
636 1 45 VAL HB 1 48 THR MG . . 3.930 3.916 3.843 4.269 0.339 14 0 "[ . 1 .]" 1
637 1 45 VAL MG1 1 46 LYS H . . 3.190 2.778 2.519 3.425 0.235 13 0 "[ . 1 .]" 1
638 1 45 VAL MG2 1 48 THR H . . 3.930 3.947 3.778 4.838 0.908 13 2 "[ . 1 +-.]" 1
639 1 45 VAL MG2 1 48 THR HB . . 4.150 3.621 3.364 4.518 0.368 13 0 "[ . 1 .]" 1
640 1 45 VAL MG2 1 48 THR MG . . 2.700 2.674 2.380 2.819 0.119 14 0 "[ . 1 .]" 1
641 1 46 LYS H 1 46 LYS HB2 . . 3.680 2.818 2.754 2.886 . 0 0 "[ . 1 .]" 1
642 1 46 LYS H 1 46 LYS HB3 . . 3.610 2.261 2.211 2.318 . 0 0 "[ . 1 .]" 1
643 1 46 LYS H 1 46 LYS HD2 . . 4.760 4.827 4.463 5.601 0.841 12 5 "[* **. 1 + -.]" 1
644 1 46 LYS H 1 46 LYS HD3 . . 5.500 5.142 4.469 5.821 0.321 6 0 "[ . 1 .]" 1
645 1 46 LYS H 1 46 LYS QE . . 5.500 5.433 4.780 5.553 0.053 12 0 "[ . 1 .]" 1
646 1 46 LYS H 1 46 LYS HG2 . . 4.890 4.551 4.511 4.582 . 0 0 "[ . 1 .]" 1
647 1 46 LYS H 1 46 LYS HG3 . . 4.330 4.220 4.148 4.289 . 0 0 "[ . 1 .]" 1
648 1 46 LYS H 1 47 PRO HD2 . . 2.720 2.014 1.966 2.149 . 0 0 "[ . 1 .]" 1
649 1 46 LYS H 1 47 PRO HD3 . . 3.650 2.968 2.904 3.087 . 0 0 "[ . 1 .]" 1
650 1 46 LYS HA 1 46 LYS HD2 . . 4.380 2.607 2.099 3.679 . 0 0 "[ . 1 .]" 1
651 1 46 LYS HA 1 46 LYS HD3 . . 5.500 3.157 2.158 4.147 . 0 0 "[ . 1 .]" 1
652 1 46 LYS HA 1 46 LYS QE . . 5.380 3.711 2.455 4.152 . 0 0 "[ . 1 .]" 1
653 1 46 LYS HA 1 48 THR H . . 4.380 3.840 3.802 3.866 . 0 0 "[ . 1 .]" 1
654 1 46 LYS HB2 1 46 LYS HD2 . . 2.830 2.965 2.172 3.746 0.916 12 5 "[* **. 1 + -.]" 1
655 1 46 LYS HB2 1 46 LYS HD3 . . 3.740 2.780 2.476 3.318 . 0 0 "[ . 1 .]" 1
656 1 46 LYS HB2 1 46 LYS QE . . 4.330 3.687 3.002 4.080 . 0 0 "[ . 1 .]" 1
657 1 46 LYS HB2 1 47 PRO HD2 . . 4.240 3.988 3.957 4.006 . 0 0 "[ . 1 .]" 1
658 1 46 LYS HB2 1 47 PRO HD3 . . 4.740 3.629 3.607 3.640 . 0 0 "[ . 1 .]" 1
659 1 46 LYS HB2 1 49 VAL MG2 . . 5.480 5.394 5.329 5.485 0.005 9 0 "[ . 1 .]" 1
660 1 46 LYS HB3 1 46 LYS HD2 . . 3.690 3.735 3.485 4.160 0.470 12 0 "[ . 1 .]" 1
661 1 46 LYS HB3 1 46 LYS HD3 . . 4.220 3.790 3.523 4.075 . 0 0 "[ . 1 .]" 1
662 1 46 LYS HB3 1 46 LYS QE . . 4.540 4.096 3.914 4.212 . 0 0 "[ . 1 .]" 1
663 1 46 LYS HB3 1 47 PRO HD2 . . 4.420 2.638 2.599 2.679 . 0 0 "[ . 1 .]" 1
664 1 46 LYS HB3 1 47 PRO HD3 . . 2.880 1.937 1.898 1.966 . 0 0 "[ . 1 .]" 1
665 1 46 LYS HB3 1 49 VAL MG2 . . 5.500 5.504 5.471 5.547 0.047 3 0 "[ . 1 .]" 1
666 1 46 LYS HD2 1 47 PRO HD2 . . 5.330 5.237 5.055 5.572 0.242 12 0 "[ . 1 .]" 1
667 1 46 LYS HD2 1 49 VAL MG1 . . 4.250 2.821 2.487 3.672 . 0 0 "[ . 1 .]" 1
668 1 46 LYS QE 1 46 LYS HG3 . . 3.700 2.417 2.036 3.165 . 0 0 "[ . 1 .]" 1
669 1 46 LYS QE 1 47 PRO HA . . 5.500 4.071 3.146 5.529 0.029 12 0 "[ . 1 .]" 1
670 1 46 LYS HG2 1 47 PRO HD2 . . 5.420 4.751 4.627 4.832 . 0 0 "[ . 1 .]" 1
671 1 46 LYS HG2 1 47 PRO HD3 . . 5.500 3.483 3.315 3.595 . 0 0 "[ . 1 .]" 1
672 1 46 LYS HG3 1 47 PRO HA . . 5.420 3.152 3.100 3.205 . 0 0 "[ . 1 .]" 1
673 1 46 LYS HG3 1 47 PRO HB2 . . 5.320 5.086 4.953 5.213 . 0 0 "[ . 1 .]" 1
674 1 46 LYS HG3 1 47 PRO HD2 . . 5.500 3.852 3.718 3.976 . 0 0 "[ . 1 .]" 1
675 1 46 LYS HG3 1 47 PRO HD3 . . 5.500 2.689 2.491 2.924 . 0 0 "[ . 1 .]" 1
676 1 46 LYS HG3 1 47 PRO HG3 . . 4.790 4.618 4.413 4.856 0.066 6 0 "[ . 1 .]" 1
677 1 46 LYS HG3 1 49 VAL MG1 . . 4.440 4.226 4.053 4.389 . 0 0 "[ . 1 .]" 1
678 1 47 PRO HA 1 50 TYR H . . 4.460 4.488 4.388 4.546 0.086 12 0 "[ . 1 .]" 1
679 1 47 PRO HB2 1 48 THR H . . 4.080 3.775 3.755 3.795 . 0 0 "[ . 1 .]" 1
680 1 47 PRO HB2 1 48 THR MG . . 4.090 3.792 3.747 3.834 . 0 0 "[ . 1 .]" 1
681 1 47 PRO HB3 1 48 THR H . . 4.520 4.396 4.385 4.407 . 0 0 "[ . 1 .]" 1
682 1 47 PRO HB3 1 48 THR MG . . 5.070 4.777 4.730 4.812 . 0 0 "[ . 1 .]" 1
683 1 47 PRO HD2 1 48 THR H . . 4.240 2.821 2.806 2.840 . 0 0 "[ . 1 .]" 1
684 1 47 PRO HG2 1 48 THR H . . 4.480 3.007 2.974 3.043 . 0 0 "[ . 1 .]" 1
685 1 47 PRO HG2 1 48 THR HA . . 4.720 4.435 4.426 4.443 . 0 0 "[ . 1 .]" 1
686 1 47 PRO HG2 1 48 THR MG . . 4.010 2.560 2.506 2.600 . 0 0 "[ . 1 .]" 1
687 1 47 PRO HG3 1 48 THR MG . . 4.330 4.040 3.990 4.077 . 0 0 "[ . 1 .]" 1
688 1 48 THR H 1 48 THR HB . . 4.150 3.671 3.669 3.675 . 0 0 "[ . 1 .]" 1
689 1 48 THR H 1 48 THR MG . . 3.670 2.002 1.931 2.025 . 0 0 "[ . 1 .]" 1
690 1 48 THR H 1 49 VAL H . . 3.690 2.385 2.358 2.402 . 0 0 "[ . 1 .]" 1
691 1 48 THR H 1 50 TYR H . . 4.950 4.592 4.470 4.666 . 0 0 "[ . 1 .]" 1
692 1 48 THR HA 1 48 THR MG . . 3.360 2.551 2.532 2.595 . 0 0 "[ . 1 .]" 1
693 1 48 THR HA 1 50 TYR H . . 4.350 3.693 3.491 3.799 . 0 0 "[ . 1 .]" 1
694 1 48 THR HA 1 51 VAL HB . . 4.390 4.067 3.907 4.420 0.030 12 0 "[ . 1 .]" 1
695 1 48 THR HA 1 51 VAL QG . . 4.160 3.542 3.166 3.896 . 0 0 "[ . 1 .]" 1
696 1 48 THR HA 1 52 TYR H . . 5.500 5.370 5.304 5.432 . 0 0 "[ . 1 .]" 1
697 1 48 THR HB 1 49 VAL H . . 4.480 4.412 4.365 4.439 . 0 0 "[ . 1 .]" 1
698 1 48 THR MG 1 49 VAL H . . 3.990 3.901 3.857 3.918 . 0 0 "[ . 1 .]" 1
699 1 49 VAL H 1 49 VAL HB . . 3.810 3.612 3.610 3.614 . 0 0 "[ . 1 .]" 1
700 1 49 VAL H 1 49 VAL MG1 . . 3.780 2.252 2.152 2.354 . 0 0 "[ . 1 .]" 1
701 1 49 VAL H 1 49 VAL MG2 . . 3.360 1.982 1.912 2.166 . 0 0 "[ . 1 .]" 1
702 1 49 VAL H 1 50 TYR H . . 3.940 2.715 2.658 2.751 . 0 0 "[ . 1 .]" 1
703 1 49 VAL H 1 50 TYR QB . . 5.280 4.650 4.597 4.687 . 0 0 "[ . 1 .]" 1
704 1 49 VAL H 1 50 TYR QD . . 4.510 3.419 3.358 3.529 . 0 0 "[ . 1 .]" 1
705 1 49 VAL H 1 50 TYR QE . . 5.110 4.975 4.907 5.111 0.001 1 0 "[ . 1 .]" 1
706 1 49 VAL H 1 51 VAL H . . 4.370 4.305 4.234 4.464 0.094 1 0 "[ . 1 .]" 1
707 1 49 VAL HA 1 49 VAL MG1 . . 3.650 2.342 2.279 2.375 . 0 0 "[ . 1 .]" 1
708 1 49 VAL HA 1 49 VAL MG2 . . 3.690 3.194 3.183 3.198 . 0 0 "[ . 1 .]" 1
709 1 49 VAL HA 1 50 TYR H . . 3.530 3.510 3.479 3.528 . 0 0 "[ . 1 .]" 1
710 1 49 VAL HA 1 51 VAL H . . 3.920 3.840 3.767 3.913 . 0 0 "[ . 1 .]" 1
711 1 49 VAL HA 1 52 TYR H . . 3.970 3.037 2.949 3.146 . 0 0 "[ . 1 .]" 1
712 1 49 VAL HA 1 52 TYR QB . . 4.330 2.538 2.243 2.733 . 0 0 "[ . 1 .]" 1
713 1 49 VAL HA 1 53 SER H . . 5.050 4.911 4.847 4.994 . 0 0 "[ . 1 .]" 1
714 1 49 VAL HB 1 50 TYR H . . 3.900 3.746 3.648 3.873 . 0 0 "[ . 1 .]" 1
715 1 49 VAL MG2 1 50 TYR H . . 3.180 2.102 1.969 2.255 . 0 0 "[ . 1 .]" 1
716 1 49 VAL MG2 1 50 TYR QB . . 3.930 3.265 3.193 3.371 . 0 0 "[ . 1 .]" 1
717 1 50 TYR H 1 50 TYR QB . . 3.490 2.269 2.263 2.276 . 0 0 "[ . 1 .]" 1
718 1 50 TYR H 1 50 TYR QD . . 4.410 2.022 1.973 2.044 . 0 0 "[ . 1 .]" 1
719 1 50 TYR H 1 50 TYR QE . . 4.510 4.362 4.331 4.380 . 0 0 "[ . 1 .]" 1
720 1 50 TYR H 1 51 VAL H . . 3.010 2.787 2.771 2.797 . 0 0 "[ . 1 .]" 1
721 1 50 TYR H 1 52 TYR H . . 4.450 4.194 3.996 4.305 . 0 0 "[ . 1 .]" 1
722 1 50 TYR H 1 52 TYR QB . . 5.500 4.867 4.683 4.971 . 0 0 "[ . 1 .]" 1
723 1 50 TYR HA 1 50 TYR QD . . 4.230 3.708 3.693 3.722 . 0 0 "[ . 1 .]" 1
724 1 50 TYR QB 1 51 VAL H . . 4.220 3.500 3.449 3.530 . 0 0 "[ . 1 .]" 1
725 1 50 TYR QB 1 51 VAL HA . . 5.290 4.539 4.516 4.549 . 0 0 "[ . 1 .]" 1
726 1 50 TYR QD 1 51 VAL QG . . 3.990 3.232 3.093 3.754 . 0 0 "[ . 1 .]" 1
727 1 50 TYR QE 1 51 VAL QG . . 3.640 2.597 2.341 3.409 . 0 0 "[ . 1 .]" 1
728 1 51 VAL H 1 51 VAL HB . . 3.800 2.339 2.272 2.460 . 0 0 "[ . 1 .]" 1
729 1 51 VAL H 1 51 VAL QG . . 3.350 2.595 2.362 2.739 . 0 0 "[ . 1 .]" 1
730 1 51 VAL H 1 52 TYR H . . 3.550 2.453 2.391 2.546 . 0 0 "[ . 1 .]" 1
731 1 51 VAL H 1 52 TYR QB . . 4.270 4.190 4.129 4.252 . 0 0 "[ . 1 .]" 1
732 1 51 VAL HA 1 52 TYR HA . . 5.090 4.906 4.876 4.919 . 0 0 "[ . 1 .]" 1
733 1 51 VAL HA 1 53 SER H . . 4.300 4.204 3.842 4.353 0.053 9 0 "[ . 1 .]" 1
734 1 51 VAL HA 1 54 ARG H . . 4.240 3.135 2.889 3.398 . 0 0 "[ . 1 .]" 1
735 1 51 VAL HA 1 54 ARG HA . . 5.330 4.963 4.777 5.366 0.036 13 0 "[ . 1 .]" 1
736 1 51 VAL HA 1 54 ARG HB2 . . 4.730 2.490 1.986 3.860 . 0 0 "[ . 1 .]" 1
737 1 51 VAL HA 1 54 ARG HB3 . . 5.040 3.814 2.438 4.408 . 0 0 "[ . 1 .]" 1
738 1 51 VAL HA 1 54 ARG HD2 . . 5.500 4.171 3.306 4.783 . 0 0 "[ . 1 .]" 1
739 1 51 VAL HA 1 55 VAL H . . 4.540 3.810 3.551 4.079 . 0 0 "[ . 1 .]" 1
740 1 51 VAL HB 1 52 TYR H . . 4.050 3.048 2.763 3.940 . 0 0 "[ . 1 .]" 1
741 1 51 VAL QG 1 52 TYR H . . 4.220 2.923 2.079 3.172 . 0 0 "[ . 1 .]" 1
742 1 51 VAL QG 1 53 SER H . . 5.470 4.428 4.180 4.572 . 0 0 "[ . 1 .]" 1
743 1 51 VAL QG 1 55 VAL QG . . 3.060 2.129 1.779 3.053 . 0 0 "[ . 1 .]" 1
744 1 52 TYR H 1 52 TYR QB . . 3.560 2.222 2.154 2.261 . 0 0 "[ . 1 .]" 1
745 1 52 TYR H 1 52 TYR QD . . 4.600 4.100 3.921 4.183 . 0 0 "[ . 1 .]" 1
746 1 52 TYR H 1 53 SER H . . 3.500 2.893 2.795 2.933 . 0 0 "[ . 1 .]" 1
747 1 52 TYR H 1 55 VAL QG . . 4.860 4.201 3.759 4.843 . 0 0 "[ . 1 .]" 1
748 1 52 TYR HA 1 52 TYR QD . . 3.850 2.232 1.998 3.035 . 0 0 "[ . 1 .]" 1
749 1 52 TYR HA 1 52 TYR QE . . 4.640 4.364 4.240 4.599 . 0 0 "[ . 1 .]" 1
750 1 52 TYR HA 1 55 VAL H . . 4.620 4.016 3.671 4.278 . 0 0 "[ . 1 .]" 1
751 1 52 TYR HA 1 55 VAL HB . . 5.390 4.510 2.844 5.448 0.058 3 0 "[ . 1 .]" 1
752 1 52 TYR HA 1 55 VAL QG . . 3.170 2.643 2.248 3.122 . 0 0 "[ . 1 .]" 1
753 1 52 TYR QB 1 53 SER H . . 3.820 2.458 2.379 2.735 . 0 0 "[ . 1 .]" 1
754 1 52 TYR QB 1 54 ARG H . . 5.500 4.655 4.522 4.858 . 0 0 "[ . 1 .]" 1
755 1 52 TYR QD 1 53 SER H . . 4.440 3.982 3.647 4.233 . 0 0 "[ . 1 .]" 1
756 1 52 TYR QD 1 53 SER QB . . 4.670 4.388 4.106 4.646 . 0 0 "[ . 1 .]" 1
757 1 52 TYR QD 1 55 VAL QG . . 3.980 3.423 3.006 3.915 . 0 0 "[ . 1 .]" 1
758 1 52 TYR QE 1 55 VAL QG . . 4.440 4.301 3.985 4.426 . 0 0 "[ . 1 .]" 1
759 1 53 SER H 1 53 SER QB . . 3.600 2.380 2.157 2.823 . 0 0 "[ . 1 .]" 1
760 1 53 SER H 1 54 ARG H . . 3.680 2.553 2.292 2.811 . 0 0 "[ . 1 .]" 1
761 1 53 SER H 1 55 VAL H . . 4.940 4.362 3.765 4.584 . 0 0 "[ . 1 .]" 1
762 1 53 SER H 1 55 VAL QG . . 5.500 4.320 3.779 5.152 . 0 0 "[ . 1 .]" 1
763 1 53 SER HA 1 56 LYS H . . 3.550 3.505 3.107 3.672 0.122 12 0 "[ . 1 .]" 1
764 1 53 SER HA 1 56 LYS HB2 . . 4.020 3.625 3.156 4.656 0.636 12 1 "[ . 1 + .]" 1
765 1 53 SER HA 1 56 LYS HB3 . . 4.480 2.920 2.464 3.993 . 0 0 "[ . 1 .]" 1
766 1 53 SER HA 1 56 LYS QD . . 4.240 3.435 1.983 4.112 . 0 0 "[ . 1 .]" 1
767 1 53 SER HA 1 57 ASN H . . 5.360 4.061 3.618 4.383 . 0 0 "[ . 1 .]" 1
768 1 53 SER HA 1 57 ASN QD . . 5.200 3.667 3.216 4.377 . 0 0 "[ . 1 .]" 1
769 1 53 SER QB 1 54 ARG H . . 3.740 2.888 2.332 3.454 . 0 0 "[ . 1 .]" 1
770 1 54 ARG H 1 54 ARG HB2 . . 3.450 2.576 2.248 3.490 0.040 15 0 "[ . 1 .]" 1
771 1 54 ARG H 1 54 ARG HB3 . . 3.770 3.483 2.181 3.591 . 0 0 "[ . 1 .]" 1
772 1 54 ARG H 1 54 ARG HD2 . . 5.500 4.628 4.294 5.052 . 0 0 "[ . 1 .]" 1
773 1 54 ARG H 1 54 ARG HD3 . . 4.690 4.552 4.075 5.165 0.475 2 0 "[ . 1 .]" 1
774 1 54 ARG H 1 54 ARG HG2 . . 3.820 2.766 2.030 3.797 . 0 0 "[ . 1 .]" 1
775 1 54 ARG H 1 54 ARG HG3 . . 3.820 2.764 2.209 3.183 . 0 0 "[ . 1 .]" 1
776 1 54 ARG H 1 55 VAL H . . 3.340 2.858 2.587 3.008 . 0 0 "[ . 1 .]" 1
777 1 54 ARG H 1 56 LYS H . . 4.100 4.083 3.912 4.262 0.162 11 0 "[ . 1 .]" 1
778 1 54 ARG HA 1 54 ARG HD2 . . 4.340 3.882 2.712 4.626 0.286 5 0 "[ . 1 .]" 1
779 1 54 ARG HA 1 54 ARG HD3 . . 4.680 3.692 2.830 4.614 . 0 0 "[ . 1 .]" 1
780 1 54 ARG HA 1 54 ARG HG2 . . 4.080 2.622 2.216 4.230 0.150 15 0 "[ . 1 .]" 1
781 1 54 ARG HA 1 54 ARG HG3 . . 4.080 3.517 2.851 3.829 . 0 0 "[ . 1 .]" 1
782 1 54 ARG HA 1 54 ARG QH1 . . 4.620 4.334 3.970 4.760 0.140 15 0 "[ . 1 .]" 1
783 1 54 ARG HA 1 56 LYS H . . 4.370 4.268 3.862 4.394 0.024 8 0 "[ . 1 .]" 1
784 1 54 ARG HA 1 57 ASN H . . 4.840 3.428 3.087 4.011 . 0 0 "[ . 1 .]" 1
785 1 54 ARG HA 1 58 LEU H . . 4.520 4.382 4.039 4.615 0.095 9 0 "[ . 1 .]" 1
786 1 54 ARG HB2 1 54 ARG HD3 . . 4.050 3.646 2.156 4.187 0.137 3 0 "[ . 1 .]" 1
787 1 54 ARG HB2 1 54 ARG HE . . 4.320 4.048 3.211 4.310 . 0 0 "[ . 1 .]" 1
788 1 54 ARG HB2 1 55 VAL H . . 4.140 2.489 2.164 4.260 0.120 15 0 "[ . 1 .]" 1
789 1 54 ARG HB3 1 54 ARG HD3 . . 3.470 3.027 2.621 3.540 0.070 12 0 "[ . 1 .]" 1
790 1 54 ARG HB3 1 54 ARG HE . . 4.530 4.045 2.638 4.529 . 0 0 "[ . 1 .]" 1
791 1 54 ARG HB3 1 55 VAL H . . 4.080 3.376 2.876 3.752 . 0 0 "[ . 1 .]" 1
792 1 54 ARG HE 1 54 ARG HG2 . . 4.140 3.378 2.165 3.835 . 0 0 "[ . 1 .]" 1
793 1 54 ARG HE 1 54 ARG HG3 . . 3.980 2.691 2.159 3.959 . 0 0 "[ . 1 .]" 1
794 1 54 ARG HG2 1 55 VAL H . . 4.450 4.505 4.033 4.817 0.367 5 0 "[ . 1 .]" 1
795 1 54 ARG HG3 1 55 VAL H . . 4.790 4.199 2.357 4.562 . 0 0 "[ . 1 .]" 1
796 1 55 VAL H 1 55 VAL HB . . 3.720 3.161 2.112 3.652 . 0 0 "[ . 1 .]" 1
797 1 55 VAL H 1 55 VAL QG . . 3.240 2.154 1.832 2.877 . 0 0 "[ . 1 .]" 1
798 1 55 VAL H 1 56 LYS H . . 2.890 2.727 2.200 2.821 . 0 0 "[ . 1 .]" 1
799 1 55 VAL H 1 57 ASN H . . 4.760 4.226 3.942 4.385 . 0 0 "[ . 1 .]" 1
800 1 55 VAL H 1 58 LEU QB . . 5.500 4.886 4.328 5.314 . 0 0 "[ . 1 .]" 1
801 1 55 VAL HA 1 55 VAL QG . . 3.190 2.146 1.966 2.290 . 0 0 "[ . 1 .]" 1
802 1 55 VAL HA 1 56 LYS H . . 3.560 3.516 3.472 3.543 . 0 0 "[ . 1 .]" 1
803 1 55 VAL HA 1 57 ASN H . . 4.750 4.529 4.305 4.745 . 0 0 "[ . 1 .]" 1
804 1 55 VAL HA 1 58 LEU H . . 4.040 3.635 3.408 4.009 . 0 0 "[ . 1 .]" 1
805 1 55 VAL HA 1 58 LEU QB . . 4.450 2.788 2.302 3.227 . 0 0 "[ . 1 .]" 1
806 1 55 VAL HA 1 58 LEU QD . . 3.510 3.136 2.168 3.501 . 0 0 "[ . 1 .]" 1
807 1 55 VAL HA 1 58 LEU HG . . 4.320 4.214 3.496 4.361 0.041 9 0 "[ . 1 .]" 1
808 1 55 VAL HB 1 56 LYS H . . 3.920 3.503 2.680 3.850 . 0 0 "[ . 1 .]" 1
809 1 55 VAL QG 1 56 LYS H . . 2.780 2.271 1.975 2.951 0.171 11 0 "[ . 1 .]" 1
810 1 55 VAL QG 1 56 LYS HA . . 3.900 3.222 2.967 3.543 . 0 0 "[ . 1 .]" 1
811 1 56 LYS H 1 56 LYS HB2 . . 3.310 2.671 2.393 3.609 0.299 12 0 "[ . 1 .]" 1
812 1 56 LYS H 1 56 LYS HB3 . . 4.150 2.546 2.301 2.688 . 0 0 "[ . 1 .]" 1
813 1 56 LYS H 1 56 LYS QD . . 4.930 4.465 3.884 4.569 . 0 0 "[ . 1 .]" 1
814 1 56 LYS H 1 56 LYS HE2 . . 5.280 4.965 4.660 5.802 0.522 8 1 "[ . + 1 .]" 1
815 1 56 LYS H 1 56 LYS QG . . 4.110 3.768 2.168 4.006 . 0 0 "[ . 1 .]" 1
816 1 56 LYS H 1 57 ASN H . . 2.850 2.540 2.300 2.656 . 0 0 "[ . 1 .]" 1
817 1 56 LYS H 1 58 LEU H . . 4.010 3.879 3.638 4.008 . 0 0 "[ . 1 .]" 1
818 1 56 LYS HA 1 56 LYS QD . . 4.250 4.164 4.097 4.408 0.158 12 0 "[ . 1 .]" 1
819 1 56 LYS HA 1 56 LYS HE2 . . 5.320 5.002 4.777 5.399 0.079 8 0 "[ . 1 .]" 1
820 1 56 LYS HA 1 56 LYS HE3 . . 5.290 4.878 4.459 5.162 . 0 0 "[ . 1 .]" 1
821 1 56 LYS HA 1 56 LYS QG . . 4.010 2.586 2.396 3.340 . 0 0 "[ . 1 .]" 1
822 1 56 LYS HA 1 57 ASN QD . . 5.480 5.003 4.562 5.346 . 0 0 "[ . 1 .]" 1
823 1 56 LYS HB2 1 56 LYS QD . . 2.550 2.514 2.299 2.580 0.030 12 0 "[ . 1 .]" 1
824 1 56 LYS HB2 1 56 LYS HE2 . . 5.010 3.725 3.332 3.969 . 0 0 "[ . 1 .]" 1
825 1 56 LYS HB2 1 56 LYS HE3 . . 4.770 4.122 2.367 4.526 . 0 0 "[ . 1 .]" 1
826 1 56 LYS HB2 1 57 ASN H . . 4.540 3.846 3.665 4.119 . 0 0 "[ . 1 .]" 1
827 1 56 LYS HB3 1 56 LYS QD . . 2.550 2.458 2.350 2.547 . 0 0 "[ . 1 .]" 1
828 1 56 LYS HB3 1 56 LYS HE2 . . 4.620 2.667 2.249 4.640 0.020 8 0 "[ . 1 .]" 1
829 1 56 LYS HB3 1 56 LYS HE3 . . 4.670 3.373 3.068 3.971 . 0 0 "[ . 1 .]" 1
830 1 56 LYS HB3 1 57 ASN H . . 4.880 2.745 2.441 3.918 . 0 0 "[ . 1 .]" 1
831 1 56 LYS QD 1 57 ASN H . . 4.840 4.688 4.189 4.837 . 0 0 "[ . 1 .]" 1
832 1 56 LYS HE2 1 57 ASN H . . 4.760 4.053 3.678 4.827 0.067 8 0 "[ . 1 .]" 1
833 1 56 LYS HE2 1 57 ASN HA . . 4.940 4.216 3.886 4.630 . 0 0 "[ . 1 .]" 1
834 1 56 LYS HE2 1 57 ASN QD . . 3.800 2.475 1.949 3.537 . 0 0 "[ . 1 .]" 1
835 1 56 LYS HE3 1 57 ASN H . . 5.030 4.710 4.179 5.108 0.078 8 0 "[ . 1 .]" 1
836 1 56 LYS QG 1 57 ASN H . . 4.590 3.581 2.173 4.052 . 0 0 "[ . 1 .]" 1
837 1 57 ASN H 1 57 ASN HB3 . . 3.600 3.543 3.448 3.607 0.007 8 0 "[ . 1 .]" 1
838 1 57 ASN H 1 57 ASN QD . . 3.880 2.504 2.005 3.400 . 0 0 "[ . 1 .]" 1
839 1 57 ASN H 1 58 LEU H . . 2.850 2.596 2.418 2.683 . 0 0 "[ . 1 .]" 1
840 1 57 ASN HA 1 58 LEU H . . 3.510 3.435 3.041 3.489 . 0 0 "[ . 1 .]" 1
841 1 57 ASN HB2 1 58 LEU H . . 4.370 3.124 2.871 3.975 . 0 0 "[ . 1 .]" 1
842 1 57 ASN HB2 1 58 LEU HA . . 4.680 4.623 4.154 4.964 0.284 12 0 "[ . 1 .]" 1
843 1 57 ASN HB3 1 58 LEU H . . 4.180 3.816 3.554 4.342 0.162 9 0 "[ . 1 .]" 1
844 1 57 ASN HB3 1 58 LEU HA . . 4.960 4.428 4.143 4.904 . 0 0 "[ . 1 .]" 1
845 1 58 LEU H 1 58 LEU QB . . 3.370 2.185 2.031 2.371 . 0 0 "[ . 1 .]" 1
846 1 58 LEU H 1 58 LEU QD . . 4.340 3.380 2.372 3.850 . 0 0 "[ . 1 .]" 1
847 1 58 LEU H 1 58 LEU HG . . 4.190 3.926 2.442 4.209 0.019 13 0 "[ . 1 .]" 1
848 1 58 LEU HA 1 58 LEU QD . . 2.930 2.183 1.900 2.419 . 0 0 "[ . 1 .]" 1
849 1 58 LEU HA 1 58 LEU HG . . 3.650 3.262 2.495 3.682 0.032 12 0 "[ . 1 .]" 1
850 1 58 LEU QB 1 58 LEU QD . . 2.500 1.946 1.817 2.028 . 0 0 "[ . 1 .]" 1
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