NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402961 |
1wi6   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wi6
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 1264
_Distance_constraint_stats_list.Viol_count 348
_Distance_constraint_stats_list.Viol_total 66.060
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0095
_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 6 SER 0.001 0.001 6 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 20 0 "[ . 1 . 2]"
1 8 ILE 0.207 0.189 20 0 "[ . 1 . 2]"
1 9 LEU 0.015 0.005 6 0 "[ . 1 . 2]"
1 10 ILE 0.067 0.023 6 0 "[ . 1 . 2]"
1 11 ARG 0.181 0.051 6 0 "[ . 1 . 2]"
1 12 GLY 0.104 0.051 6 0 "[ . 1 . 2]"
1 13 LEU 0.038 0.012 16 0 "[ . 1 . 2]"
1 14 PRO 0.093 0.040 6 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 0.003 0.003 16 0 "[ . 1 . 2]"
1 17 VAL 0.087 0.040 6 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASN 0.014 0.007 6 0 "[ . 1 . 2]"
1 20 GLN 0.018 0.009 6 0 "[ . 1 . 2]"
1 21 GLU 0.004 0.002 12 0 "[ . 1 . 2]"
1 22 VAL 0.007 0.007 6 0 "[ . 1 . 2]"
1 23 HIS 0.066 0.018 11 0 "[ . 1 . 2]"
1 24 ASP 0.044 0.018 11 0 "[ . 1 . 2]"
1 25 LEU 0.016 0.008 11 0 "[ . 1 . 2]"
1 26 LEU 0.069 0.009 11 0 "[ . 1 . 2]"
1 27 SER 0.290 0.064 14 0 "[ . 1 . 2]"
1 28 ASP 0.323 0.064 14 0 "[ . 1 . 2]"
1 29 TYR 0.096 0.014 14 0 "[ . 1 . 2]"
1 30 GLU 0.062 0.014 14 0 "[ . 1 . 2]"
1 31 LEU 0.115 0.021 15 0 "[ . 1 . 2]"
1 32 LYS 0.227 0.068 2 0 "[ . 1 . 2]"
1 33 TYR 0.275 0.059 14 0 "[ . 1 . 2]"
1 34 CYS 0.007 0.004 6 0 "[ . 1 . 2]"
1 35 PHE 0.025 0.011 11 0 "[ . 1 . 2]"
1 36 VAL 0.009 0.004 6 0 "[ . 1 . 2]"
1 37 ASP 0.022 0.011 11 0 "[ . 1 . 2]"
1 38 LYS 0.002 0.002 11 0 "[ . 1 . 2]"
1 39 TYR 0.001 0.001 20 0 "[ . 1 . 2]"
1 40 LYS 0.077 0.046 20 0 "[ . 1 . 2]"
1 41 GLY 0.016 0.004 6 0 "[ . 1 . 2]"
1 42 THR 0.050 0.013 6 0 "[ . 1 . 2]"
1 43 ALA 0.004 0.001 20 0 "[ . 1 . 2]"
1 44 PHE 0.008 0.003 16 0 "[ . 1 . 2]"
1 45 VAL 0.030 0.008 20 0 "[ . 1 . 2]"
1 46 THR 0.101 0.026 6 0 "[ . 1 . 2]"
1 47 LEU 0.023 0.008 19 0 "[ . 1 . 2]"
1 48 LEU 0.054 0.033 19 0 "[ . 1 . 2]"
1 49 ASN 0.002 0.002 19 0 "[ . 1 . 2]"
1 50 GLY 0.001 0.001 4 0 "[ . 1 . 2]"
1 51 GLU 0.329 0.111 17 0 "[ . 1 . 2]"
1 52 GLN 0.050 0.033 19 0 "[ . 1 . 2]"
1 53 ALA 0.014 0.008 19 0 "[ . 1 . 2]"
1 54 GLU 0.024 0.006 6 0 "[ . 1 . 2]"
1 55 ALA 0.014 0.005 18 0 "[ . 1 . 2]"
1 56 ALA 0.014 0.005 16 0 "[ . 1 . 2]"
1 57 ILE 0.012 0.005 6 0 "[ . 1 . 2]"
1 58 ASN 0.032 0.006 6 0 "[ . 1 . 2]"
1 59 THR 0.002 0.002 18 0 "[ . 1 . 2]"
1 60 PHE 0.051 0.006 4 0 "[ . 1 . 2]"
1 61 HIS 0.350 0.043 7 0 "[ . 1 . 2]"
1 62 GLN 0.322 0.043 7 0 "[ . 1 . 2]"
1 63 SER 0.037 0.006 4 0 "[ . 1 . 2]"
1 64 ARG 0.012 0.007 18 0 "[ . 1 . 2]"
1 65 LEU 0.001 0.001 14 0 "[ . 1 . 2]"
1 66 ARG 0.019 0.019 14 0 "[ . 1 . 2]"
1 67 GLU 0.082 0.051 18 0 "[ . 1 . 2]"
1 68 ARG 0.064 0.051 18 0 "[ . 1 . 2]"
1 69 GLU 0.190 0.042 15 0 "[ . 1 . 2]"
1 70 LEU 0.022 0.005 6 0 "[ . 1 . 2]"
1 71 SER 0.129 0.036 6 0 "[ . 1 . 2]"
1 72 VAL 0.017 0.004 4 0 "[ . 1 . 2]"
1 73 GLN 0.005 0.003 6 0 "[ . 1 . 2]"
1 74 LEU 0.011 0.008 6 0 "[ . 1 . 2]"
1 75 GLN 0.517 0.050 12 0 "[ . 1 . 2]"
1 76 PRO 0.228 0.036 3 0 "[ . 1 . 2]"
1 77 THR 0.005 0.005 1 0 "[ . 1 . 2]"
1 78 ASP 0.005 0.005 1 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.008 0.008 1 0 "[ . 1 . 2]"
1 81 LEU 0.008 0.008 1 0 "[ . 1 . 2]"
1 82 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 SER HA 1 50 GLY HA2 . . 4.210 2.677 2.350 3.078 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER HA 1 50 GLY HA3 . . 4.430 4.130 3.788 4.425 . 0 0 "[ . 1 . 2]" 1
3 1 6 SER HA 1 53 ALA H . . 5.090 4.310 3.497 5.065 . 0 0 "[ . 1 . 2]" 1
4 1 6 SER HA 1 53 ALA MB . . 3.190 2.346 1.858 3.091 . 0 0 "[ . 1 . 2]" 1
5 1 6 SER QB 1 7 GLY H . . 4.220 2.812 2.036 3.862 . 0 0 "[ . 1 . 2]" 1
6 1 6 SER QB 1 46 THR MG . . 3.620 3.063 2.407 3.621 0.001 6 0 "[ . 1 . 2]" 1
7 1 6 SER QB 1 47 LEU H . . 3.870 2.833 2.241 3.616 . 0 0 "[ . 1 . 2]" 1
8 1 6 SER QB 1 47 LEU QB . . 4.270 2.826 1.960 3.854 . 0 0 "[ . 1 . 2]" 1
9 1 6 SER QB 1 53 ALA MB . . 3.830 3.243 2.607 3.781 . 0 0 "[ . 1 . 2]" 1
10 1 6 SER HB2 1 46 THR MG . . 4.430 3.386 2.442 4.345 . 0 0 "[ . 1 . 2]" 1
11 1 6 SER HB2 1 47 LEU H . . 4.740 3.197 2.257 4.735 . 0 0 "[ . 1 . 2]" 1
12 1 6 SER HB2 1 53 ALA MB . . 4.440 3.668 3.064 4.394 . 0 0 "[ . 1 . 2]" 1
13 1 6 SER HB3 1 46 THR MG . . 4.430 3.927 2.816 4.428 . 0 0 "[ . 1 . 2]" 1
14 1 6 SER HB3 1 47 LEU H . . 4.740 3.978 2.366 4.670 . 0 0 "[ . 1 . 2]" 1
15 1 6 SER HB3 1 53 ALA MB . . 4.440 3.795 2.643 4.430 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLY QA 1 8 ILE QG . . 4.550 3.644 3.495 4.486 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLY QA 1 46 THR MG . . 3.530 3.027 2.792 3.530 . 20 0 "[ . 1 . 2]" 1
18 1 7 GLY QA 1 47 LEU H . . 4.820 3.150 2.590 3.642 . 0 0 "[ . 1 . 2]" 1
19 1 7 GLY QA 1 75 GLN QB . . 3.920 2.407 2.011 3.174 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLY QA 1 75 GLN QG . . 4.420 2.924 1.985 4.024 . 0 0 "[ . 1 . 2]" 1
21 1 7 GLY HA2 1 46 THR MG . . 4.290 3.208 3.006 3.780 . 0 0 "[ . 1 . 2]" 1
22 1 7 GLY HA3 1 46 THR MG . . 4.290 3.718 3.314 4.232 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE H 1 8 ILE HG12 . . 4.110 3.582 2.975 3.806 . 0 0 "[ . 1 . 2]" 1
24 1 8 ILE H 1 8 ILE QG . . 3.510 2.099 1.908 2.891 . 0 0 "[ . 1 . 2]" 1
25 1 8 ILE H 1 8 ILE HG13 . . 4.110 2.162 1.917 3.932 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE H 1 8 ILE MG . . 3.920 2.963 2.758 3.125 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE H 1 45 VAL H . . 4.350 2.969 2.679 3.204 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE H 1 45 VAL HB . . 4.610 4.159 3.607 4.576 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE HA 1 8 ILE MD . . 3.710 3.602 3.480 3.673 . 0 0 "[ . 1 . 2]" 1
30 1 8 ILE HA 1 8 ILE MG . . 3.040 2.303 2.220 2.438 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE HA 1 9 LEU H . . 3.120 2.366 2.291 2.413 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE HA 1 9 LEU HB3 . . 4.570 4.164 4.104 4.245 . 0 0 "[ . 1 . 2]" 1
33 1 8 ILE HA 1 74 LEU H . . 5.500 5.210 4.999 5.446 . 0 0 "[ . 1 . 2]" 1
34 1 8 ILE HA 1 74 LEU HA . . 4.130 2.803 2.545 2.945 . 0 0 "[ . 1 . 2]" 1
35 1 8 ILE HA 1 74 LEU QB . . 4.810 4.715 4.498 4.812 0.002 13 0 "[ . 1 . 2]" 1
36 1 8 ILE HA 1 75 GLN H . . 3.630 2.774 2.511 2.904 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE HA 1 75 GLN QB . . 4.220 3.411 3.067 3.930 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE HB 1 8 ILE MD . . 3.020 2.236 2.090 3.209 0.189 20 0 "[ . 1 . 2]" 1
39 1 8 ILE HB 1 9 LEU H . . 3.510 2.479 2.362 2.676 . 0 0 "[ . 1 . 2]" 1
40 1 8 ILE QG 1 45 VAL H . . 4.320 2.332 1.994 2.952 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE HG12 1 45 VAL H . . 4.970 3.715 3.005 4.491 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE HG12 1 45 VAL HB . . 3.570 2.697 2.255 3.433 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE HG13 1 45 VAL H . . 4.970 2.422 2.009 4.327 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE HG13 1 45 VAL HB . . 3.570 2.595 2.285 3.578 0.008 20 0 "[ . 1 . 2]" 1
45 1 8 ILE MG 1 9 LEU H . . 3.920 3.730 3.658 3.809 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE MG 1 74 LEU HA . . 3.800 3.663 3.342 3.808 0.008 6 0 "[ . 1 . 2]" 1
47 1 8 ILE MG 1 75 GLN H . . 4.250 4.098 3.820 4.245 . 0 0 "[ . 1 . 2]" 1
48 1 9 LEU H 1 9 LEU HB2 . . 3.870 3.478 3.351 3.548 . 0 0 "[ . 1 . 2]" 1
49 1 9 LEU H 1 9 LEU HB3 . . 3.660 2.601 2.497 2.651 . 0 0 "[ . 1 . 2]" 1
50 1 9 LEU H 1 9 LEU HG . . 4.770 4.134 4.048 4.236 . 0 0 "[ . 1 . 2]" 1
51 1 9 LEU H 1 73 GLN H . . 3.640 2.979 2.724 3.198 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU H 1 73 GLN QG . . 4.210 3.918 3.399 4.180 . 0 0 "[ . 1 . 2]" 1
53 1 9 LEU HA 1 9 LEU MD1 . . 3.030 2.247 2.037 2.503 . 0 0 "[ . 1 . 2]" 1
54 1 9 LEU HA 1 9 LEU MD2 . . 4.030 3.950 3.903 3.996 . 0 0 "[ . 1 . 2]" 1
55 1 9 LEU HA 1 9 LEU HG . . 3.890 3.446 3.382 3.531 . 0 0 "[ . 1 . 2]" 1
56 1 9 LEU HA 1 10 ILE H . . 3.130 2.150 2.141 2.174 . 0 0 "[ . 1 . 2]" 1
57 1 9 LEU HA 1 10 ILE HB . . 4.650 4.456 4.416 4.526 . 0 0 "[ . 1 . 2]" 1
58 1 9 LEU HA 1 10 ILE HG13 . . 4.180 4.039 3.951 4.156 . 0 0 "[ . 1 . 2]" 1
59 1 9 LEU HA 1 44 PHE QD . . 4.690 3.321 2.848 3.720 . 0 0 "[ . 1 . 2]" 1
60 1 9 LEU HA 1 45 VAL H . . 4.920 4.389 3.901 4.669 . 0 0 "[ . 1 . 2]" 1
61 1 9 LEU HB2 1 9 LEU MD1 . . 3.400 2.395 2.260 2.456 . 0 0 "[ . 1 . 2]" 1
62 1 9 LEU HB2 1 9 LEU MD2 . . 3.360 2.356 2.269 2.447 . 0 0 "[ . 1 . 2]" 1
63 1 9 LEU HB2 1 10 ILE H . . 4.270 4.011 3.935 4.108 . 0 0 "[ . 1 . 2]" 1
64 1 9 LEU HB2 1 44 PHE QD . . 4.560 3.079 2.867 3.226 . 0 0 "[ . 1 . 2]" 1
65 1 9 LEU HB2 1 44 PHE QE . . 4.690 2.506 2.115 2.838 . 0 0 "[ . 1 . 2]" 1
66 1 9 LEU HB2 1 73 GLN QG . . 4.560 3.881 3.634 4.253 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU HB3 1 9 LEU MD1 . . 3.520 3.190 3.177 3.196 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU HB3 1 9 LEU MD2 . . 3.290 2.319 2.182 2.413 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU HB3 1 10 ILE H . . 4.490 4.374 4.280 4.427 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU HB3 1 44 PHE QD . . 4.820 4.688 4.463 4.801 . 0 0 "[ . 1 . 2]" 1
71 1 9 LEU HB3 1 73 GLN H . . 4.080 3.386 3.140 3.700 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU HB3 1 73 GLN QG . . 4.230 2.478 2.173 2.864 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU MD1 1 10 ILE H . . 3.430 2.078 1.897 2.363 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU MD1 1 11 ARG QD . . 3.740 3.637 3.404 3.733 . 0 0 "[ . 1 . 2]" 1
75 1 9 LEU MD1 1 42 THR HA . . 4.750 4.293 3.819 4.484 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU MD1 1 42 THR HB . . 3.190 2.524 1.936 2.770 . 0 0 "[ . 1 . 2]" 1
77 1 9 LEU MD1 1 43 ALA H . . 3.800 3.499 2.857 3.756 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU MD1 1 44 PHE HA . . 4.320 4.198 3.450 4.323 0.003 16 0 "[ . 1 . 2]" 1
79 1 9 LEU MD1 1 44 PHE QB . . 5.040 4.709 4.178 4.802 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU MD1 1 44 PHE QD . . 3.610 3.423 3.147 3.612 0.002 20 0 "[ . 1 . 2]" 1
81 1 9 LEU MD1 1 44 PHE QE . . 3.850 2.225 1.918 2.636 . 0 0 "[ . 1 . 2]" 1
82 1 9 LEU MD2 1 10 ILE HA . . 5.500 5.189 5.076 5.326 . 0 0 "[ . 1 . 2]" 1
83 1 9 LEU MD2 1 11 ARG QD . . 3.400 3.294 3.110 3.405 0.005 6 0 "[ . 1 . 2]" 1
84 1 9 LEU MD2 1 11 ARG QG . . 3.880 3.227 2.941 3.421 . 0 0 "[ . 1 . 2]" 1
85 1 9 LEU MD2 1 44 PHE QD . . 4.590 4.437 4.202 4.560 . 0 0 "[ . 1 . 2]" 1
86 1 9 LEU MD2 1 44 PHE QE . . 3.880 2.788 2.579 2.958 . 0 0 "[ . 1 . 2]" 1
87 1 9 LEU MD2 1 75 GLN HA . . 4.040 3.614 3.084 4.040 . 0 0 "[ . 1 . 2]" 1
88 1 9 LEU MD2 1 76 PRO HD2 . . 4.480 3.914 3.267 4.468 . 0 0 "[ . 1 . 2]" 1
89 1 9 LEU MD2 1 76 PRO HD3 . . 4.230 3.009 2.043 3.627 . 0 0 "[ . 1 . 2]" 1
90 1 9 LEU HG 1 10 ILE H . . 4.150 3.537 3.274 3.690 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU HG 1 10 ILE HA . . 4.500 3.765 3.628 3.926 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE H 1 10 ILE HB . . 3.460 2.512 2.465 2.629 . 0 0 "[ . 1 . 2]" 1
93 1 10 ILE H 1 10 ILE HG12 . . 4.620 4.248 4.111 4.337 . 0 0 "[ . 1 . 2]" 1
94 1 10 ILE H 1 10 ILE HG13 . . 3.680 3.062 2.872 3.203 . 0 0 "[ . 1 . 2]" 1
95 1 10 ILE H 1 42 THR MG . . 4.930 4.500 4.173 4.665 . 0 0 "[ . 1 . 2]" 1
96 1 10 ILE H 1 43 ALA H . . 3.770 2.838 2.489 3.011 . 0 0 "[ . 1 . 2]" 1
97 1 10 ILE H 1 43 ALA HA . . 5.290 5.077 4.684 5.289 . 0 0 "[ . 1 . 2]" 1
98 1 10 ILE H 1 43 ALA MB . . 4.170 4.036 3.563 4.171 0.001 20 0 "[ . 1 . 2]" 1
99 1 10 ILE H 1 44 PHE HA . . 4.630 4.072 3.928 4.286 . 0 0 "[ . 1 . 2]" 1
100 1 10 ILE HA 1 10 ILE MD . . 3.890 3.817 3.795 3.838 . 0 0 "[ . 1 . 2]" 1
101 1 10 ILE HA 1 10 ILE HG12 . . 3.720 2.575 2.494 2.621 . 0 0 "[ . 1 . 2]" 1
102 1 10 ILE HA 1 10 ILE HG13 . . 3.740 2.709 2.628 2.778 . 0 0 "[ . 1 . 2]" 1
103 1 10 ILE HA 1 10 ILE MG . . 3.060 2.500 2.456 2.543 . 0 0 "[ . 1 . 2]" 1
104 1 10 ILE HA 1 11 ARG H . . 3.100 2.212 2.145 2.238 . 0 0 "[ . 1 . 2]" 1
105 1 10 ILE HB 1 10 ILE MD . . 3.240 2.286 2.207 2.385 . 0 0 "[ . 1 . 2]" 1
106 1 10 ILE HB 1 42 THR HA . . 4.490 3.976 3.758 4.211 . 0 0 "[ . 1 . 2]" 1
107 1 10 ILE HB 1 43 ALA H . . 3.720 2.592 2.359 2.939 . 0 0 "[ . 1 . 2]" 1
108 1 10 ILE HB 1 43 ALA MB . . 3.270 2.853 2.497 3.095 . 0 0 "[ . 1 . 2]" 1
109 1 10 ILE HG12 1 11 ARG H . . 4.910 4.016 3.913 4.305 . 0 0 "[ . 1 . 2]" 1
110 1 10 ILE MG 1 11 ARG H . . 3.600 2.299 2.094 2.694 . 0 0 "[ . 1 . 2]" 1
111 1 10 ILE MG 1 42 THR HB . . 4.440 4.425 4.380 4.453 0.013 6 0 "[ . 1 . 2]" 1
112 1 10 ILE MG 1 70 LEU HA . . 4.790 4.481 4.215 4.795 0.005 6 0 "[ . 1 . 2]" 1
113 1 10 ILE MG 1 70 LEU HB2 . . 4.940 4.906 4.787 4.945 0.005 18 0 "[ . 1 . 2]" 1
114 1 10 ILE MG 1 70 LEU HB3 . . 3.720 3.428 3.287 3.557 . 0 0 "[ . 1 . 2]" 1
115 1 10 ILE MG 1 71 SER H . . 4.220 3.917 3.569 4.243 0.023 6 0 "[ . 1 . 2]" 1
116 1 11 ARG H 1 11 ARG HB2 . . 3.880 2.608 2.517 2.701 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG H 1 11 ARG QD . . 4.780 4.592 4.214 4.772 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG H 1 11 ARG HG2 . . 4.430 3.920 3.367 4.356 . 0 0 "[ . 1 . 2]" 1
119 1 11 ARG H 1 11 ARG HG3 . . 4.430 3.280 2.809 4.095 . 0 0 "[ . 1 . 2]" 1
120 1 11 ARG H 1 71 SER H . . 3.670 3.177 2.877 3.545 . 0 0 "[ . 1 . 2]" 1
121 1 11 ARG H 1 71 SER HB2 . . 4.180 3.808 3.484 4.198 0.018 6 0 "[ . 1 . 2]" 1
122 1 11 ARG H 1 71 SER HB3 . . 4.620 4.094 2.846 4.612 . 0 0 "[ . 1 . 2]" 1
123 1 11 ARG HA 1 11 ARG QD . . 4.310 3.948 2.476 4.173 . 0 0 "[ . 1 . 2]" 1
124 1 11 ARG HA 1 11 ARG QG . . 3.510 2.338 2.258 2.460 . 0 0 "[ . 1 . 2]" 1
125 1 11 ARG HA 1 12 GLY H . . 3.290 2.182 2.170 2.218 . 0 0 "[ . 1 . 2]" 1
126 1 11 ARG HA 1 13 LEU H . . 4.870 4.735 4.466 4.869 . 0 0 "[ . 1 . 2]" 1
127 1 11 ARG HA 1 42 THR HA . . 3.410 3.230 2.996 3.389 . 0 0 "[ . 1 . 2]" 1
128 1 11 ARG HA 1 42 THR HB . . 4.340 3.637 3.498 3.779 . 0 0 "[ . 1 . 2]" 1
129 1 11 ARG HA 1 42 THR MG . . 3.290 2.018 1.925 2.226 . 0 0 "[ . 1 . 2]" 1
130 1 11 ARG HA 1 43 ALA H . . 4.940 4.627 4.412 4.790 . 0 0 "[ . 1 . 2]" 1
131 1 11 ARG HB2 1 11 ARG QD . . 3.470 2.656 2.346 3.437 . 0 0 "[ . 1 . 2]" 1
132 1 11 ARG HB2 1 12 GLY H . . 4.310 4.173 4.030 4.238 . 0 0 "[ . 1 . 2]" 1
133 1 11 ARG HB2 1 12 GLY HA3 . . 4.850 4.787 4.561 4.901 0.051 6 0 "[ . 1 . 2]" 1
134 1 11 ARG HB2 1 71 SER H . . 4.270 3.258 2.602 3.545 . 0 0 "[ . 1 . 2]" 1
135 1 11 ARG HB2 1 71 SER HB2 . . 3.530 2.232 1.955 2.847 . 0 0 "[ . 1 . 2]" 1
136 1 11 ARG HB2 1 71 SER HB3 . . 3.440 2.817 1.996 3.246 . 0 0 "[ . 1 . 2]" 1
137 1 11 ARG HB3 1 11 ARG QD . . 3.130 2.455 2.117 2.825 . 0 0 "[ . 1 . 2]" 1
138 1 11 ARG HB3 1 12 GLY H . . 3.650 3.140 2.981 3.209 . 0 0 "[ . 1 . 2]" 1
139 1 11 ARG HB3 1 12 GLY HA2 . . 4.930 4.597 4.461 4.711 . 0 0 "[ . 1 . 2]" 1
140 1 11 ARG HB3 1 12 GLY HA3 . . 4.960 4.288 4.095 4.512 . 0 0 "[ . 1 . 2]" 1
141 1 11 ARG HB3 1 71 SER H . . 4.670 4.418 3.358 4.670 . 0 0 "[ . 1 . 2]" 1
142 1 11 ARG HB3 1 71 SER HB2 . . 4.070 3.479 2.418 4.072 0.002 16 0 "[ . 1 . 2]" 1
143 1 11 ARG HB3 1 71 SER HB3 . . 4.710 4.338 3.435 4.714 0.004 4 0 "[ . 1 . 2]" 1
144 1 11 ARG QD 1 12 GLY H . . 5.390 5.063 3.232 5.402 0.012 4 0 "[ . 1 . 2]" 1
145 1 11 ARG QD 1 42 THR MG . . 3.860 3.649 2.164 3.864 0.004 16 0 "[ . 1 . 2]" 1
146 1 11 ARG QD 1 71 SER HB2 . . 4.330 3.770 3.250 4.366 0.036 6 0 "[ . 1 . 2]" 1
147 1 11 ARG QD 1 71 SER HB3 . . 4.530 3.691 3.150 4.560 0.030 6 0 "[ . 1 . 2]" 1
148 1 11 ARG QG 1 12 GLY H . . 4.620 4.019 3.841 4.292 . 0 0 "[ . 1 . 2]" 1
149 1 11 ARG QG 1 42 THR HA . . 4.900 4.557 4.261 4.828 . 0 0 "[ . 1 . 2]" 1
150 1 11 ARG QG 1 42 THR HB . . 4.390 3.675 3.463 3.995 . 0 0 "[ . 1 . 2]" 1
151 1 11 ARG QG 1 42 THR MG . . 3.410 2.177 1.950 2.704 . 0 0 "[ . 1 . 2]" 1
152 1 11 ARG QG 1 71 SER HB2 . . 5.270 3.969 3.131 4.749 . 0 0 "[ . 1 . 2]" 1
153 1 11 ARG QG 1 71 SER HB3 . . 4.240 3.742 2.622 4.235 . 0 0 "[ . 1 . 2]" 1
154 1 11 ARG HG2 1 42 THR MG . . 4.000 2.199 1.961 2.749 . 0 0 "[ . 1 . 2]" 1
155 1 11 ARG HG3 1 42 THR MG . . 4.000 3.529 2.857 4.006 0.006 6 0 "[ . 1 . 2]" 1
156 1 12 GLY H 1 13 LEU H . . 3.290 2.894 2.692 3.107 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLY H 1 13 LEU HG . . 5.040 3.559 3.390 3.887 . 0 0 "[ . 1 . 2]" 1
158 1 12 GLY H 1 41 GLY HA2 . . 5.160 5.136 5.002 5.164 0.004 6 0 "[ . 1 . 2]" 1
159 1 12 GLY H 1 41 GLY HA3 . . 4.760 4.165 3.974 4.244 . 0 0 "[ . 1 . 2]" 1
160 1 12 GLY H 1 42 THR HA . . 4.340 3.822 3.661 3.973 . 0 0 "[ . 1 . 2]" 1
161 1 12 GLY H 1 42 THR MG . . 4.360 2.798 2.601 2.995 . 0 0 "[ . 1 . 2]" 1
162 1 12 GLY HA2 1 13 LEU MD1 . . 5.500 5.481 5.411 5.512 0.012 16 0 "[ . 1 . 2]" 1
163 1 12 GLY HA3 1 70 LEU MD2 . . 3.720 3.331 2.773 3.713 . 0 0 "[ . 1 . 2]" 1
164 1 12 GLY HA3 1 71 SER H . . 4.500 4.223 3.993 4.503 0.003 14 0 "[ . 1 . 2]" 1
165 1 13 LEU H 1 13 LEU HB2 . . 3.570 2.512 2.420 2.595 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU H 1 13 LEU HB3 . . 3.920 3.689 3.633 3.746 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU H 1 13 LEU MD1 . . 4.040 3.745 3.582 3.885 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU H 1 13 LEU MD2 . . 4.250 3.881 3.704 4.013 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU H 1 13 LEU HG . . 3.460 2.810 2.572 2.967 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU H 1 41 GLY HA3 . . 3.850 3.459 2.854 3.655 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU H 1 42 THR HA . . 4.880 4.539 4.338 4.763 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU H 1 42 THR MG . . 4.600 4.515 4.333 4.601 0.001 11 0 "[ . 1 . 2]" 1
173 1 13 LEU HA 1 13 LEU MD1 . . 4.110 3.909 3.889 3.927 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU HA 1 13 LEU MD2 . . 2.910 2.223 1.983 2.420 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU HA 1 13 LEU HG . . 3.930 2.997 2.880 3.089 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU HA 1 14 PRO HD2 . . 3.240 2.359 2.311 2.410 . 0 0 "[ . 1 . 2]" 1
177 1 13 LEU HA 1 14 PRO HD3 . . 3.120 2.286 2.271 2.304 . 0 0 "[ . 1 . 2]" 1
178 1 13 LEU HA 1 14 PRO HG2 . . 4.670 4.479 4.441 4.521 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU HA 1 14 PRO HG3 . . 4.670 4.448 4.422 4.478 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU HA 1 17 VAL MG2 . . 4.340 3.936 3.640 4.233 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU HA 1 65 LEU MD2 . . 3.870 3.613 3.372 3.868 . 0 0 "[ . 1 . 2]" 1
182 1 13 LEU HA 1 70 LEU MD2 . . 3.530 3.369 3.171 3.533 0.003 6 0 "[ . 1 . 2]" 1
183 1 13 LEU HB2 1 13 LEU MD1 . . 3.310 2.265 2.133 2.317 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU HB2 1 14 PRO HD2 . . 3.810 3.638 3.555 3.728 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU HB2 1 17 VAL HB . . 4.530 3.880 3.770 4.120 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU HB2 1 17 VAL MG1 . . 3.860 2.651 2.509 2.873 . 0 0 "[ . 1 . 2]" 1
187 1 13 LEU HB2 1 41 GLY HA2 . . 4.070 2.915 2.339 3.140 . 0 0 "[ . 1 . 2]" 1
188 1 13 LEU HB2 1 41 GLY HA3 . . 4.020 3.819 3.353 4.022 0.002 14 0 "[ . 1 . 2]" 1
189 1 13 LEU HB3 1 13 LEU MD1 . . 3.260 2.450 2.354 2.523 . 0 0 "[ . 1 . 2]" 1
190 1 13 LEU HB3 1 13 LEU MD2 . . 3.530 2.230 2.117 2.376 . 0 0 "[ . 1 . 2]" 1
191 1 13 LEU HB3 1 14 PRO HD2 . . 3.540 2.072 2.001 2.182 . 0 0 "[ . 1 . 2]" 1
192 1 13 LEU HB3 1 14 PRO HD3 . . 3.720 3.507 3.442 3.602 . 0 0 "[ . 1 . 2]" 1
193 1 13 LEU HB3 1 17 VAL HB . . 4.450 2.379 2.264 2.546 . 0 0 "[ . 1 . 2]" 1
194 1 13 LEU HB3 1 17 VAL MG1 . . 3.710 2.228 2.023 2.399 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU MD1 1 14 PRO HD2 . . 4.080 4.024 3.910 4.080 0.000 9 0 "[ . 1 . 2]" 1
196 1 13 LEU MD1 1 17 VAL HB . . 4.200 3.841 3.735 3.948 . 0 0 "[ . 1 . 2]" 1
197 1 13 LEU MD1 1 41 GLY HA2 . . 3.850 3.008 2.779 3.311 . 0 0 "[ . 1 . 2]" 1
198 1 13 LEU MD1 1 41 GLY HA3 . . 4.290 3.971 3.832 4.175 . 0 0 "[ . 1 . 2]" 1
199 1 13 LEU MD1 1 42 THR H . . 4.520 2.771 2.497 2.966 . 0 0 "[ . 1 . 2]" 1
200 1 13 LEU MD1 1 42 THR HA . . 3.770 2.195 2.002 2.434 . 0 0 "[ . 1 . 2]" 1
201 1 13 LEU MD1 1 42 THR HB . . 4.660 4.014 3.831 4.170 . 0 0 "[ . 1 . 2]" 1
202 1 13 LEU MD1 1 43 ALA H . . 3.980 2.823 2.416 3.279 . 0 0 "[ . 1 . 2]" 1
203 1 13 LEU MD1 1 43 ALA HA . . 4.150 3.491 3.229 3.698 . 0 0 "[ . 1 . 2]" 1
204 1 13 LEU MD1 1 43 ALA MB . . 2.580 2.034 1.919 2.230 . 0 0 "[ . 1 . 2]" 1
205 1 13 LEU MD2 1 14 PRO HD2 . . 3.330 2.446 2.132 2.785 . 0 0 "[ . 1 . 2]" 1
206 1 13 LEU MD2 1 14 PRO HD3 . . 3.400 3.211 2.974 3.409 0.009 16 0 "[ . 1 . 2]" 1
207 1 13 LEU MD2 1 42 THR HA . . 4.950 3.716 3.441 3.985 . 0 0 "[ . 1 . 2]" 1
208 1 13 LEU HG 1 14 PRO HD2 . . 4.760 4.423 4.234 4.529 . 0 0 "[ . 1 . 2]" 1
209 1 13 LEU HG 1 41 GLY HA3 . . 4.900 4.715 4.488 4.896 . 0 0 "[ . 1 . 2]" 1
210 1 14 PRO HA 1 15 GLY QA . . 4.770 3.926 3.908 3.959 . 0 0 "[ . 1 . 2]" 1
211 1 14 PRO HA 1 65 LEU MD2 . . 5.060 4.344 3.450 4.926 . 0 0 "[ . 1 . 2]" 1
212 1 14 PRO HB2 1 15 GLY QA . . 4.820 4.058 3.868 4.211 . 0 0 "[ . 1 . 2]" 1
213 1 14 PRO HB2 1 16 ASP H . . 4.190 2.199 2.156 2.310 . 0 0 "[ . 1 . 2]" 1
214 1 14 PRO HB2 1 17 VAL H . . 4.490 3.442 3.219 3.678 . 0 0 "[ . 1 . 2]" 1
215 1 14 PRO HB3 1 15 GLY QA . . 5.340 5.115 5.010 5.202 . 0 0 "[ . 1 . 2]" 1
216 1 14 PRO HB3 1 16 ASP H . . 4.010 3.928 3.867 4.007 . 0 0 "[ . 1 . 2]" 1
217 1 14 PRO HD2 1 17 VAL H . . 4.680 4.176 3.978 4.289 . 0 0 "[ . 1 . 2]" 1
218 1 14 PRO HD2 1 17 VAL HA . . 4.930 3.956 3.766 4.276 . 0 0 "[ . 1 . 2]" 1
219 1 14 PRO HD2 1 17 VAL HB . . 3.610 2.012 1.980 2.095 . 0 0 "[ . 1 . 2]" 1
220 1 14 PRO HD2 1 17 VAL MG1 . . 4.300 3.291 3.092 3.367 . 0 0 "[ . 1 . 2]" 1
221 1 14 PRO HD2 1 17 VAL MG2 . . 3.980 2.657 2.349 3.009 . 0 0 "[ . 1 . 2]" 1
222 1 14 PRO HD2 1 65 LEU MD2 . . 3.420 3.259 3.099 3.421 0.001 14 0 "[ . 1 . 2]" 1
223 1 14 PRO HD2 1 70 LEU MD2 . . 4.770 4.580 4.345 4.753 . 0 0 "[ . 1 . 2]" 1
224 1 14 PRO HD3 1 17 VAL HB . . 4.550 3.637 3.561 3.735 . 0 0 "[ . 1 . 2]" 1
225 1 14 PRO HD3 1 17 VAL MG1 . . 4.700 4.661 4.512 4.740 0.040 6 0 "[ . 1 . 2]" 1
226 1 14 PRO HD3 1 17 VAL MG2 . . 4.440 4.117 3.812 4.431 . 0 0 "[ . 1 . 2]" 1
227 1 14 PRO HD3 1 65 LEU HB3 . . 4.680 4.442 4.062 4.628 . 0 0 "[ . 1 . 2]" 1
228 1 14 PRO HD3 1 65 LEU MD2 . . 3.560 2.051 1.913 2.258 . 0 0 "[ . 1 . 2]" 1
229 1 14 PRO HD3 1 65 LEU HG . . 4.590 4.196 3.858 4.495 . 0 0 "[ . 1 . 2]" 1
230 1 14 PRO HD3 1 70 LEU MD2 . . 3.680 3.578 3.396 3.682 0.002 14 0 "[ . 1 . 2]" 1
231 1 14 PRO QG 1 17 VAL H . . 3.950 2.703 2.390 2.882 . 0 0 "[ . 1 . 2]" 1
232 1 14 PRO QG 1 17 VAL HA . . 4.260 2.735 2.439 3.159 . 0 0 "[ . 1 . 2]" 1
233 1 14 PRO QG 1 17 VAL HB . . 3.570 2.033 1.978 2.180 . 0 0 "[ . 1 . 2]" 1
234 1 14 PRO QG 1 17 VAL MG2 . . 3.940 3.284 3.017 3.548 . 0 0 "[ . 1 . 2]" 1
235 1 14 PRO QG 1 65 LEU MD2 . . 3.630 2.062 1.882 2.272 . 0 0 "[ . 1 . 2]" 1
236 1 14 PRO HG2 1 17 VAL H . . 4.620 2.726 2.406 2.911 . 0 0 "[ . 1 . 2]" 1
237 1 14 PRO HG3 1 17 VAL H . . 4.620 4.455 4.128 4.635 0.015 6 0 "[ . 1 . 2]" 1
238 1 15 GLY H 1 16 ASP H . . 4.850 2.575 2.405 2.723 . 0 0 "[ . 1 . 2]" 1
239 1 15 GLY QA 1 17 VAL H . . 4.330 3.569 3.491 3.673 . 0 0 "[ . 1 . 2]" 1
240 1 15 GLY HA2 1 17 VAL H . . 5.040 3.740 3.661 3.842 . 0 0 "[ . 1 . 2]" 1
241 1 15 GLY HA3 1 17 VAL H . . 5.040 4.516 4.396 4.671 . 0 0 "[ . 1 . 2]" 1
242 1 16 ASP H 1 16 ASP HB2 . . 4.190 2.600 2.326 3.655 . 0 0 "[ . 1 . 2]" 1
243 1 16 ASP H 1 16 ASP QB . . 3.600 2.485 2.298 3.114 . 0 0 "[ . 1 . 2]" 1
244 1 16 ASP H 1 16 ASP HB3 . . 4.190 3.475 2.585 3.759 . 0 0 "[ . 1 . 2]" 1
245 1 16 ASP H 1 17 VAL H . . 3.010 2.324 1.986 2.562 . 0 0 "[ . 1 . 2]" 1
246 1 16 ASP H 1 17 VAL HA . . 4.590 4.464 4.349 4.583 . 0 0 "[ . 1 . 2]" 1
247 1 16 ASP H 1 17 VAL HB . . 4.710 4.249 4.096 4.369 . 0 0 "[ . 1 . 2]" 1
248 1 16 ASP H 1 17 VAL MG1 . . 4.630 3.997 3.669 4.220 . 0 0 "[ . 1 . 2]" 1
249 1 16 ASP QB 1 17 VAL H . . 3.980 3.589 3.382 3.980 . 16 0 "[ . 1 . 2]" 1
250 1 16 ASP HB2 1 17 VAL H . . 4.640 3.941 3.533 4.481 . 0 0 "[ . 1 . 2]" 1
251 1 16 ASP HB3 1 17 VAL H . . 4.640 4.232 3.677 4.643 0.003 16 0 "[ . 1 . 2]" 1
252 1 17 VAL H 1 17 VAL HB . . 3.020 2.544 2.434 2.628 . 0 0 "[ . 1 . 2]" 1
253 1 17 VAL H 1 17 VAL MG1 . . 2.950 2.129 1.879 2.316 . 0 0 "[ . 1 . 2]" 1
254 1 17 VAL H 1 17 VAL MG2 . . 3.790 3.764 3.745 3.770 . 0 0 "[ . 1 . 2]" 1
255 1 17 VAL H 1 18 THR H . . 4.610 4.416 4.353 4.465 . 0 0 "[ . 1 . 2]" 1
256 1 17 VAL HA 1 17 VAL MG1 . . 3.590 3.191 3.185 3.200 . 0 0 "[ . 1 . 2]" 1
257 1 17 VAL HA 1 17 VAL MG2 . . 3.090 2.251 2.181 2.327 . 0 0 "[ . 1 . 2]" 1
258 1 17 VAL HA 1 18 THR H . . 3.110 2.147 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
259 1 17 VAL HA 1 18 THR MG . . 4.490 3.846 3.669 4.000 . 0 0 "[ . 1 . 2]" 1
260 1 17 VAL HA 1 21 GLU HB3 . . 4.940 3.616 3.304 3.795 . 0 0 "[ . 1 . 2]" 1
261 1 17 VAL HB 1 18 THR H . . 4.720 4.380 4.321 4.475 . 0 0 "[ . 1 . 2]" 1
262 1 17 VAL MG1 1 18 THR H . . 4.190 4.098 4.015 4.182 . 0 0 "[ . 1 . 2]" 1
263 1 17 VAL MG1 1 38 LYS H . . 5.080 4.661 3.897 5.020 . 0 0 "[ . 1 . 2]" 1
264 1 17 VAL MG1 1 38 LYS HA . . 3.380 3.095 2.518 3.380 0.000 18 0 "[ . 1 . 2]" 1
265 1 17 VAL MG1 1 38 LYS HB2 . . 3.710 3.467 2.934 3.697 . 0 0 "[ . 1 . 2]" 1
266 1 17 VAL MG1 1 38 LYS HB3 . . 3.790 3.183 2.421 3.550 . 0 0 "[ . 1 . 2]" 1
267 1 17 VAL MG1 1 38 LYS QE . . 5.030 4.684 4.370 5.012 . 0 0 "[ . 1 . 2]" 1
268 1 17 VAL MG1 1 41 GLY HA2 . . 4.540 3.992 3.606 4.142 . 0 0 "[ . 1 . 2]" 1
269 1 17 VAL MG1 1 41 GLY HA3 . . 5.500 5.283 4.985 5.459 . 0 0 "[ . 1 . 2]" 1
270 1 17 VAL MG2 1 18 THR H . . 3.330 2.909 2.745 3.072 . 0 0 "[ . 1 . 2]" 1
271 1 17 VAL MG2 1 21 GLU H . . 4.770 4.646 4.526 4.741 . 0 0 "[ . 1 . 2]" 1
272 1 17 VAL MG2 1 21 GLU HA . . 5.500 5.434 5.255 5.501 0.001 18 0 "[ . 1 . 2]" 1
273 1 17 VAL MG2 1 21 GLU HB2 . . 4.010 3.744 3.570 3.954 . 0 0 "[ . 1 . 2]" 1
274 1 17 VAL MG2 1 21 GLU HB3 . . 3.640 2.812 2.645 2.913 . 0 0 "[ . 1 . 2]" 1
275 1 17 VAL MG2 1 21 GLU HG2 . . 4.400 3.646 3.038 4.401 0.001 14 0 "[ . 1 . 2]" 1
276 1 17 VAL MG2 1 21 GLU HG3 . . 4.400 4.028 2.996 4.392 . 0 0 "[ . 1 . 2]" 1
277 1 17 VAL MG2 1 22 VAL H . . 4.320 4.176 3.859 4.297 . 0 0 "[ . 1 . 2]" 1
278 1 18 THR H 1 18 THR MG . . 3.400 2.110 1.949 2.317 . 0 0 "[ . 1 . 2]" 1
279 1 18 THR H 1 21 GLU HB2 . . 4.160 2.564 2.299 2.811 . 0 0 "[ . 1 . 2]" 1
280 1 18 THR H 1 21 GLU HB3 . . 3.980 2.900 2.538 3.259 . 0 0 "[ . 1 . 2]" 1
281 1 18 THR H 1 21 GLU HG2 . . 5.260 4.219 3.668 5.208 . 0 0 "[ . 1 . 2]" 1
282 1 18 THR H 1 21 GLU QG . . 4.440 3.840 3.561 4.327 . 0 0 "[ . 1 . 2]" 1
283 1 18 THR H 1 21 GLU HG3 . . 5.260 4.754 3.985 5.078 . 0 0 "[ . 1 . 2]" 1
284 1 18 THR HB 1 21 GLU H . . 5.310 4.662 4.451 4.800 . 0 0 "[ . 1 . 2]" 1
285 1 18 THR HG1 1 21 GLU H . . 5.500 4.585 3.666 5.244 . 0 0 "[ . 1 . 2]" 1
286 1 18 THR MG 1 21 GLU H . . 3.950 1.973 1.846 2.169 . 0 0 "[ . 1 . 2]" 1
287 1 18 THR MG 1 21 GLU HB2 . . 4.700 2.537 2.064 2.907 . 0 0 "[ . 1 . 2]" 1
288 1 19 ASN HA 1 22 VAL H . . 4.100 3.453 3.374 3.501 . 0 0 "[ . 1 . 2]" 1
289 1 19 ASN HA 1 22 VAL HB . . 5.000 4.472 2.978 4.873 . 0 0 "[ . 1 . 2]" 1
290 1 19 ASN HA 1 22 VAL MG1 . . 4.360 3.661 3.318 4.367 0.007 6 0 "[ . 1 . 2]" 1
291 1 19 ASN HA 1 22 VAL QG . . 3.560 2.187 1.932 3.364 . 0 0 "[ . 1 . 2]" 1
292 1 19 ASN HA 1 22 VAL MG2 . . 4.360 2.212 1.941 3.500 . 0 0 "[ . 1 . 2]" 1
293 1 19 ASN HA 1 23 HIS H . . 4.240 4.093 3.860 4.222 . 0 0 "[ . 1 . 2]" 1
294 1 19 ASN HA 1 36 VAL HA . . 5.500 5.468 5.284 5.504 0.004 6 0 "[ . 1 . 2]" 1
295 1 19 ASN HA 1 36 VAL HB . . 4.800 3.705 3.287 3.974 . 0 0 "[ . 1 . 2]" 1
296 1 19 ASN HA 1 36 VAL MG1 . . 3.840 3.505 3.244 3.711 . 0 0 "[ . 1 . 2]" 1
297 1 19 ASN HA 1 36 VAL MG2 . . 3.240 2.012 1.937 2.162 . 0 0 "[ . 1 . 2]" 1
298 1 19 ASN HB2 1 23 HIS HD2 . . 5.070 3.273 2.270 4.388 . 0 0 "[ . 1 . 2]" 1
299 1 19 ASN HB2 1 36 VAL MG2 . . 4.780 3.785 2.919 4.369 . 0 0 "[ . 1 . 2]" 1
300 1 19 ASN HB3 1 23 HIS HD2 . . 5.070 3.424 2.462 4.709 . 0 0 "[ . 1 . 2]" 1
301 1 19 ASN HB3 1 36 VAL MG2 . . 4.780 3.446 2.711 4.336 . 0 0 "[ . 1 . 2]" 1
302 1 20 GLN H 1 21 GLU H . . 4.070 2.630 2.580 2.711 . 0 0 "[ . 1 . 2]" 1
303 1 20 GLN H 1 22 VAL H . . 4.790 4.333 4.267 4.378 . 0 0 "[ . 1 . 2]" 1
304 1 20 GLN HA 1 20 GLN QG . . 3.650 2.623 2.537 2.752 . 0 0 "[ . 1 . 2]" 1
305 1 20 GLN HA 1 23 HIS H . . 3.840 3.471 3.427 3.575 . 0 0 "[ . 1 . 2]" 1
306 1 20 GLN HA 1 23 HIS HB2 . . 3.570 2.415 2.361 2.495 . 0 0 "[ . 1 . 2]" 1
307 1 20 GLN HA 1 23 HIS HB3 . . 3.860 3.843 3.813 3.869 0.009 6 0 "[ . 1 . 2]" 1
308 1 20 GLN HA 1 23 HIS HD2 . . 4.470 3.754 3.312 4.328 . 0 0 "[ . 1 . 2]" 1
309 1 20 GLN QB 1 21 GLU H . . 3.700 2.693 2.602 2.717 . 0 0 "[ . 1 . 2]" 1
310 1 20 GLN QE 1 20 GLN QG . . 3.060 2.156 2.068 2.230 . 0 0 "[ . 1 . 2]" 1
311 1 20 GLN HE21 1 23 HIS HB2 . . 4.800 3.208 2.771 3.903 . 0 0 "[ . 1 . 2]" 1
312 1 20 GLN HE21 1 23 HIS HB3 . . 4.600 3.522 3.257 4.035 . 0 0 "[ . 1 . 2]" 1
313 1 20 GLN HE22 1 20 GLN QG . . 3.720 3.282 3.233 3.312 . 0 0 "[ . 1 . 2]" 1
314 1 20 GLN HE22 1 23 HIS HB2 . . 4.800 4.350 4.112 4.568 . 0 0 "[ . 1 . 2]" 1
315 1 20 GLN HE22 1 23 HIS HB3 . . 4.600 4.385 4.094 4.601 0.001 20 0 "[ . 1 . 2]" 1
316 1 20 GLN QG 1 21 GLU H . . 4.060 3.975 3.860 4.044 . 0 0 "[ . 1 . 2]" 1
317 1 20 GLN QG 1 21 GLU HA . . 5.030 4.078 3.872 4.184 . 0 0 "[ . 1 . 2]" 1
318 1 20 GLN QG 1 23 HIS H . . 5.380 5.049 4.967 5.206 . 0 0 "[ . 1 . 2]" 1
319 1 20 GLN QG 1 23 HIS HB2 . . 4.530 4.151 3.997 4.356 . 0 0 "[ . 1 . 2]" 1
320 1 20 GLN QG 1 23 HIS HB3 . . 5.100 4.933 4.763 5.106 0.006 20 0 "[ . 1 . 2]" 1
321 1 21 GLU H 1 21 GLU HB2 . . 3.310 2.410 2.230 2.610 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLU H 1 21 GLU HB3 . . 3.240 2.657 2.448 2.870 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLU H 1 21 GLU HG2 . . 4.680 4.532 4.415 4.619 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLU H 1 21 GLU HG3 . . 4.680 4.533 4.459 4.615 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLU H 1 22 VAL H . . 3.370 2.685 2.629 2.696 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLU H 1 22 VAL QG . . 4.610 3.659 3.449 4.286 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLU HA 1 21 GLU HG2 . . 3.760 3.374 2.506 3.762 0.002 12 0 "[ . 1 . 2]" 1
328 1 21 GLU HA 1 21 GLU QG . . 3.110 2.731 2.466 2.993 . 0 0 "[ . 1 . 2]" 1
329 1 21 GLU HA 1 21 GLU HG3 . . 3.760 3.007 2.721 3.669 . 0 0 "[ . 1 . 2]" 1
330 1 21 GLU HA 1 22 VAL HA . . 4.790 4.745 4.741 4.752 . 0 0 "[ . 1 . 2]" 1
331 1 21 GLU HA 1 22 VAL QG . . 5.170 4.500 4.418 4.811 . 0 0 "[ . 1 . 2]" 1
332 1 21 GLU HA 1 24 ASP H . . 3.920 3.810 3.771 3.858 . 0 0 "[ . 1 . 2]" 1
333 1 21 GLU HA 1 24 ASP HB2 . . 4.180 3.856 3.751 4.091 . 0 0 "[ . 1 . 2]" 1
334 1 21 GLU HA 1 24 ASP HB3 . . 3.520 3.352 3.206 3.456 . 0 0 "[ . 1 . 2]" 1
335 1 21 GLU HA 1 25 LEU H . . 4.330 4.190 4.081 4.303 . 0 0 "[ . 1 . 2]" 1
336 1 21 GLU HB2 1 22 VAL H . . 4.140 3.717 3.535 3.869 . 0 0 "[ . 1 . 2]" 1
337 1 21 GLU HB2 1 22 VAL QG . . 5.010 4.352 4.127 4.590 . 0 0 "[ . 1 . 2]" 1
338 1 21 GLU HB3 1 22 VAL H . . 3.190 2.498 2.474 2.534 . 0 0 "[ . 1 . 2]" 1
339 1 21 GLU HB3 1 22 VAL QG . . 3.870 3.070 2.946 3.181 . 0 0 "[ . 1 . 2]" 1
340 1 21 GLU QG 1 22 VAL H . . 4.630 3.832 3.620 4.051 . 0 0 "[ . 1 . 2]" 1
341 1 21 GLU QG 1 22 VAL QG . . 4.040 3.758 3.461 4.039 . 0 0 "[ . 1 . 2]" 1
342 1 22 VAL H 1 22 VAL HB . . 3.710 3.381 2.385 3.617 . 0 0 "[ . 1 . 2]" 1
343 1 22 VAL H 1 22 VAL MG1 . . 3.980 2.729 2.354 3.764 . 0 0 "[ . 1 . 2]" 1
344 1 22 VAL H 1 22 VAL QG . . 3.080 1.946 1.815 2.352 . 0 0 "[ . 1 . 2]" 1
345 1 22 VAL H 1 22 VAL MG2 . . 3.980 2.001 1.868 2.376 . 0 0 "[ . 1 . 2]" 1
346 1 22 VAL H 1 23 HIS H . . 3.220 2.577 2.565 2.609 . 0 0 "[ . 1 . 2]" 1
347 1 22 VAL H 1 23 HIS HB2 . . 4.930 4.462 4.448 4.480 . 0 0 "[ . 1 . 2]" 1
348 1 22 VAL H 1 24 ASP H . . 5.090 4.248 4.214 4.275 . 0 0 "[ . 1 . 2]" 1
349 1 22 VAL H 1 36 VAL MG2 . . 4.300 3.743 3.437 4.039 . 0 0 "[ . 1 . 2]" 1
350 1 22 VAL HA 1 22 VAL MG1 . . 3.280 2.290 2.197 2.448 . 0 0 "[ . 1 . 2]" 1
351 1 22 VAL HA 1 22 VAL QG . . 2.800 2.188 2.076 2.274 . 0 0 "[ . 1 . 2]" 1
352 1 22 VAL HA 1 22 VAL MG2 . . 3.280 3.018 2.256 3.202 . 0 0 "[ . 1 . 2]" 1
353 1 22 VAL HA 1 24 ASP H . . 4.980 4.613 4.509 4.658 . 0 0 "[ . 1 . 2]" 1
354 1 22 VAL HA 1 25 LEU H . . 4.130 3.513 3.442 3.562 . 0 0 "[ . 1 . 2]" 1
355 1 22 VAL HA 1 25 LEU HB2 . . 3.920 3.479 3.324 3.677 . 0 0 "[ . 1 . 2]" 1
356 1 22 VAL HA 1 25 LEU HB3 . . 3.510 2.639 2.568 2.694 . 0 0 "[ . 1 . 2]" 1
357 1 22 VAL HA 1 25 LEU MD1 . . 5.150 5.014 4.906 5.124 . 0 0 "[ . 1 . 2]" 1
358 1 22 VAL HA 1 25 LEU MD2 . . 4.070 3.196 3.087 3.286 . 0 0 "[ . 1 . 2]" 1
359 1 22 VAL HA 1 25 LEU HG . . 4.910 4.840 4.756 4.906 . 0 0 "[ . 1 . 2]" 1
360 1 22 VAL HA 1 26 LEU H . . 4.770 4.247 4.006 4.575 . 0 0 "[ . 1 . 2]" 1
361 1 22 VAL HB 1 23 HIS H . . 3.760 3.433 2.650 3.682 . 0 0 "[ . 1 . 2]" 1
362 1 22 VAL HB 1 23 HIS HA . . 4.700 4.328 4.269 4.398 . 0 0 "[ . 1 . 2]" 1
363 1 22 VAL QG 1 23 HIS H . . 3.650 2.178 1.846 3.264 . 0 0 "[ . 1 . 2]" 1
364 1 22 VAL QG 1 23 HIS HA . . 3.520 3.297 3.153 3.503 . 0 0 "[ . 1 . 2]" 1
365 1 22 VAL QG 1 23 HIS HD2 . . 4.780 2.907 2.027 4.525 . 0 0 "[ . 1 . 2]" 1
366 1 22 VAL MG1 1 23 HIS H . . 4.240 3.868 3.330 4.008 . 0 0 "[ . 1 . 2]" 1
367 1 22 VAL MG2 1 23 HIS H . . 4.240 2.314 1.849 3.968 . 0 0 "[ . 1 . 2]" 1
368 1 23 HIS H 1 23 HIS HB2 . . 3.350 2.188 2.177 2.196 . 0 0 "[ . 1 . 2]" 1
369 1 23 HIS H 1 23 HIS HB3 . . 3.560 3.497 3.488 3.502 . 0 0 "[ . 1 . 2]" 1
370 1 23 HIS H 1 23 HIS HD2 . . 3.640 3.135 2.821 3.399 . 0 0 "[ . 1 . 2]" 1
371 1 23 HIS H 1 24 ASP H . . 3.420 2.717 2.680 2.772 . 0 0 "[ . 1 . 2]" 1
372 1 23 HIS H 1 24 ASP HB3 . . 5.350 5.150 5.037 5.256 . 0 0 "[ . 1 . 2]" 1
373 1 23 HIS H 1 36 VAL MG2 . . 4.890 4.644 4.444 4.817 . 0 0 "[ . 1 . 2]" 1
374 1 23 HIS HA 1 23 HIS HD2 . . 4.990 3.941 3.500 4.242 . 0 0 "[ . 1 . 2]" 1
375 1 23 HIS HA 1 26 LEU H . . 4.200 3.575 3.396 3.649 . 0 0 "[ . 1 . 2]" 1
376 1 23 HIS HA 1 26 LEU HB2 . . 3.930 3.780 3.490 3.935 0.005 18 0 "[ . 1 . 2]" 1
377 1 23 HIS HA 1 26 LEU HB3 . . 5.370 4.973 4.760 5.252 . 0 0 "[ . 1 . 2]" 1
378 1 23 HIS HA 1 31 LEU MD1 . . 3.420 2.162 1.865 2.366 . 0 0 "[ . 1 . 2]" 1
379 1 23 HIS HA 1 31 LEU MD2 . . 3.960 3.724 3.329 3.922 . 0 0 "[ . 1 . 2]" 1
380 1 23 HIS HA 1 31 LEU HG . . 5.410 4.744 4.313 4.992 . 0 0 "[ . 1 . 2]" 1
381 1 23 HIS HB2 1 24 ASP H . . 3.820 2.706 2.688 2.742 . 0 0 "[ . 1 . 2]" 1
382 1 23 HIS HB2 1 24 ASP HA . . 4.890 4.715 4.703 4.727 . 0 0 "[ . 1 . 2]" 1
383 1 23 HIS HB2 1 24 ASP HB2 . . 4.590 4.420 4.377 4.489 . 0 0 "[ . 1 . 2]" 1
384 1 23 HIS HB2 1 31 LEU MD1 . . 4.390 4.266 3.874 4.397 0.007 11 0 "[ . 1 . 2]" 1
385 1 23 HIS HB3 1 24 ASP H . . 3.960 3.146 3.122 3.197 . 0 0 "[ . 1 . 2]" 1
386 1 23 HIS HB3 1 24 ASP HB2 . . 4.610 4.601 4.562 4.628 0.018 11 0 "[ . 1 . 2]" 1
387 1 23 HIS HB3 1 31 LEU MD1 . . 4.250 3.482 3.100 3.690 . 0 0 "[ . 1 . 2]" 1
388 1 23 HIS HD2 1 31 LEU MD1 . . 4.810 4.464 3.843 4.803 . 0 0 "[ . 1 . 2]" 1
389 1 23 HIS HD2 1 34 CYS HB2 . . 5.020 4.038 3.331 4.685 . 0 0 "[ . 1 . 2]" 1
390 1 23 HIS HD2 1 34 CYS HB3 . . 5.020 4.600 3.801 5.016 . 0 0 "[ . 1 . 2]" 1
391 1 23 HIS HE1 1 31 LEU HB2 . . 4.730 4.125 3.693 4.726 . 0 0 "[ . 1 . 2]" 1
392 1 23 HIS HE1 1 31 LEU MD1 . . 4.870 3.187 2.828 3.687 . 0 0 "[ . 1 . 2]" 1
393 1 23 HIS HE1 1 34 CYS HB2 . . 4.810 4.106 3.471 4.595 . 0 0 "[ . 1 . 2]" 1
394 1 23 HIS HE1 1 34 CYS QB . . 4.220 3.118 2.663 3.606 . 0 0 "[ . 1 . 2]" 1
395 1 23 HIS HE1 1 34 CYS HB3 . . 4.810 3.241 2.719 3.769 . 0 0 "[ . 1 . 2]" 1
396 1 24 ASP H 1 24 ASP HB2 . . 3.540 2.333 2.280 2.458 . 0 0 "[ . 1 . 2]" 1
397 1 24 ASP H 1 24 ASP HB3 . . 3.380 2.754 2.613 2.819 . 0 0 "[ . 1 . 2]" 1
398 1 24 ASP H 1 25 LEU H . . 3.570 2.637 2.607 2.675 . 0 0 "[ . 1 . 2]" 1
399 1 24 ASP H 1 27 SER QB . . 5.100 4.324 4.089 4.958 . 0 0 "[ . 1 . 2]" 1
400 1 24 ASP HA 1 27 SER H . . 4.310 3.584 3.415 3.721 . 0 0 "[ . 1 . 2]" 1
401 1 24 ASP HA 1 27 SER HA . . 4.610 4.450 4.327 4.623 0.013 11 0 "[ . 1 . 2]" 1
402 1 24 ASP HA 1 27 SER HB2 . . 3.850 2.541 1.999 3.789 . 0 0 "[ . 1 . 2]" 1
403 1 24 ASP HA 1 27 SER QB . . 3.240 2.148 1.982 2.570 . 0 0 "[ . 1 . 2]" 1
404 1 24 ASP HA 1 27 SER HB3 . . 3.850 3.045 2.103 3.732 . 0 0 "[ . 1 . 2]" 1
405 1 24 ASP HB2 1 25 LEU H . . 3.900 3.769 3.696 3.840 . 0 0 "[ . 1 . 2]" 1
406 1 24 ASP HB3 1 25 LEU H . . 3.560 2.718 2.631 2.867 . 0 0 "[ . 1 . 2]" 1
407 1 25 LEU H 1 25 LEU HB2 . . 3.420 2.584 2.537 2.689 . 0 0 "[ . 1 . 2]" 1
408 1 25 LEU H 1 25 LEU HB3 . . 3.440 2.431 2.359 2.470 . 0 0 "[ . 1 . 2]" 1
409 1 25 LEU H 1 25 LEU MD1 . . 4.350 4.110 4.043 4.210 . 0 0 "[ . 1 . 2]" 1
410 1 25 LEU H 1 25 LEU MD2 . . 4.490 4.206 4.161 4.235 . 0 0 "[ . 1 . 2]" 1
411 1 25 LEU H 1 25 LEU HG . . 4.470 4.437 4.378 4.464 . 0 0 "[ . 1 . 2]" 1
412 1 25 LEU H 1 26 LEU H . . 3.350 2.653 2.517 2.712 . 0 0 "[ . 1 . 2]" 1
413 1 25 LEU H 1 27 SER H . . 4.210 4.157 4.029 4.213 0.003 6 0 "[ . 1 . 2]" 1
414 1 25 LEU HA 1 25 LEU MD1 . . 2.950 2.259 2.095 2.362 . 0 0 "[ . 1 . 2]" 1
415 1 25 LEU HA 1 25 LEU MD2 . . 4.010 3.901 3.889 3.936 . 0 0 "[ . 1 . 2]" 1
416 1 25 LEU HA 1 25 LEU HG . . 4.080 3.205 3.158 3.276 . 0 0 "[ . 1 . 2]" 1
417 1 25 LEU HB2 1 25 LEU MD2 . . 3.350 2.328 2.287 2.409 . 0 0 "[ . 1 . 2]" 1
418 1 25 LEU HB2 1 26 LEU H . . 4.060 3.942 3.890 4.068 0.008 11 0 "[ . 1 . 2]" 1
419 1 25 LEU HB3 1 25 LEU MD2 . . 3.390 2.348 2.252 2.385 . 0 0 "[ . 1 . 2]" 1
420 1 25 LEU HB3 1 26 LEU H . . 3.680 2.648 2.580 2.841 . 0 0 "[ . 1 . 2]" 1
421 1 25 LEU HB3 1 26 LEU MD1 . . 4.470 4.142 4.102 4.217 . 0 0 "[ . 1 . 2]" 1
422 1 25 LEU HB3 1 26 LEU HG . . 3.770 3.710 3.493 3.772 0.002 4 0 "[ . 1 . 2]" 1
423 1 25 LEU MD1 1 26 LEU HA . . 4.730 4.591 4.418 4.703 . 0 0 "[ . 1 . 2]" 1
424 1 25 LEU MD1 1 60 PHE QD . . 4.340 3.183 2.843 3.537 . 0 0 "[ . 1 . 2]" 1
425 1 25 LEU MD1 1 60 PHE QE . . 4.170 2.388 2.115 2.623 . 0 0 "[ . 1 . 2]" 1
426 1 25 LEU MD2 1 26 LEU H . . 4.520 4.333 4.255 4.430 . 0 0 "[ . 1 . 2]" 1
427 1 25 LEU MD2 1 26 LEU HA . . 5.140 5.117 5.088 5.139 . 0 0 "[ . 1 . 2]" 1
428 1 25 LEU MD2 1 60 PHE QD . . 4.360 3.311 3.116 3.526 . 0 0 "[ . 1 . 2]" 1
429 1 25 LEU HG 1 26 LEU H . . 4.770 3.732 3.625 3.833 . 0 0 "[ . 1 . 2]" 1
430 1 25 LEU HG 1 60 PHE QE . . 5.130 2.948 2.788 3.073 . 0 0 "[ . 1 . 2]" 1
431 1 26 LEU H 1 26 LEU HB2 . . 3.420 2.382 2.346 2.452 . 0 0 "[ . 1 . 2]" 1
432 1 26 LEU H 1 26 LEU HB3 . . 3.800 3.596 3.573 3.648 . 0 0 "[ . 1 . 2]" 1
433 1 26 LEU H 1 26 LEU MD1 . . 3.850 3.842 3.788 3.859 0.009 11 0 "[ . 1 . 2]" 1
434 1 26 LEU H 1 26 LEU MD2 . . 4.350 4.273 4.185 4.311 . 0 0 "[ . 1 . 2]" 1
435 1 26 LEU H 1 26 LEU HG . . 3.610 3.395 3.245 3.453 . 0 0 "[ . 1 . 2]" 1
436 1 26 LEU H 1 31 LEU MD1 . . 4.600 3.665 3.457 3.988 . 0 0 "[ . 1 . 2]" 1
437 1 26 LEU HA 1 26 LEU MD1 . . 3.970 3.840 3.830 3.856 . 0 0 "[ . 1 . 2]" 1
438 1 26 LEU HA 1 26 LEU MD2 . . 2.990 2.257 2.151 2.417 . 0 0 "[ . 1 . 2]" 1
439 1 26 LEU HA 1 26 LEU HG . . 4.120 2.676 2.642 2.751 . 0 0 "[ . 1 . 2]" 1
440 1 26 LEU HA 1 27 SER H . . 3.450 2.874 2.842 2.938 . 0 0 "[ . 1 . 2]" 1
441 1 26 LEU HA 1 29 TYR QD . . 3.660 2.740 2.478 2.966 . 0 0 "[ . 1 . 2]" 1
442 1 26 LEU HA 1 29 TYR QE . . 4.170 3.454 3.266 3.590 . 0 0 "[ . 1 . 2]" 1
443 1 26 LEU HA 1 31 LEU MD1 . . 5.460 4.600 4.348 4.853 . 0 0 "[ . 1 . 2]" 1
444 1 26 LEU HB2 1 26 LEU MD1 . . 3.340 2.145 2.085 2.180 . 0 0 "[ . 1 . 2]" 1
445 1 26 LEU HB2 1 26 LEU MD2 . . 3.470 3.165 3.153 3.175 . 0 0 "[ . 1 . 2]" 1
446 1 26 LEU HB2 1 27 SER H . . 4.760 4.182 4.093 4.224 . 0 0 "[ . 1 . 2]" 1
447 1 26 LEU HB2 1 29 TYR QD . . 4.730 4.685 4.619 4.734 0.004 4 0 "[ . 1 . 2]" 1
448 1 26 LEU HB2 1 31 LEU MD1 . . 3.830 2.935 2.557 3.481 . 0 0 "[ . 1 . 2]" 1
449 1 26 LEU HB3 1 26 LEU MD1 . . 3.400 2.570 2.537 2.592 . 0 0 "[ . 1 . 2]" 1
450 1 26 LEU HB3 1 26 LEU MD2 . . 3.470 2.205 2.100 2.296 . 0 0 "[ . 1 . 2]" 1
451 1 26 LEU HB3 1 27 SER H . . 4.800 4.333 4.318 4.351 . 0 0 "[ . 1 . 2]" 1
452 1 26 LEU HB3 1 29 TYR HB2 . . 3.990 3.655 3.432 3.830 . 0 0 "[ . 1 . 2]" 1
453 1 26 LEU HB3 1 29 TYR QD . . 3.710 3.250 3.138 3.368 . 0 0 "[ . 1 . 2]" 1
454 1 26 LEU HB3 1 31 LEU MD1 . . 3.860 3.223 2.872 3.734 . 0 0 "[ . 1 . 2]" 1
455 1 26 LEU HB3 1 31 LEU MD2 . . 4.480 2.291 2.074 2.466 . 0 0 "[ . 1 . 2]" 1
456 1 26 LEU MD1 1 29 TYR QD . . 4.640 4.497 4.328 4.646 0.006 14 0 "[ . 1 . 2]" 1
457 1 26 LEU MD2 1 27 SER H . . 4.910 4.721 4.657 4.805 . 0 0 "[ . 1 . 2]" 1
458 1 26 LEU MD2 1 29 TYR QD . . 3.390 2.105 1.969 2.326 . 0 0 "[ . 1 . 2]" 1
459 1 26 LEU MD2 1 29 TYR QE . . 3.550 2.631 2.473 3.072 . 0 0 "[ . 1 . 2]" 1
460 1 26 LEU MD2 1 52 GLN HA . . 5.500 5.481 5.428 5.504 0.004 18 0 "[ . 1 . 2]" 1
461 1 26 LEU MD2 1 56 ALA HA . . 4.110 3.604 3.354 3.968 . 0 0 "[ . 1 . 2]" 1
462 1 26 LEU MD2 1 60 PHE QD . . 4.050 3.942 3.785 4.050 0.000 15 0 "[ . 1 . 2]" 1
463 1 26 LEU MD2 1 60 PHE QE . . 3.500 2.064 1.953 2.216 . 0 0 "[ . 1 . 2]" 1
464 1 26 LEU HG 1 29 TYR QD . . 4.880 4.398 4.255 4.600 . 0 0 "[ . 1 . 2]" 1
465 1 27 SER H 1 27 SER HB2 . . 3.630 2.723 2.181 3.603 . 0 0 "[ . 1 . 2]" 1
466 1 27 SER H 1 27 SER HB3 . . 3.630 2.847 2.492 3.497 . 0 0 "[ . 1 . 2]" 1
467 1 27 SER H 1 28 ASP H . . 3.480 2.678 2.547 2.766 . 0 0 "[ . 1 . 2]" 1
468 1 27 SER H 1 28 ASP HB2 . . 5.310 4.441 4.412 4.481 . 0 0 "[ . 1 . 2]" 1
469 1 27 SER H 1 29 TYR H . . 4.550 4.389 4.108 4.551 0.001 6 0 "[ . 1 . 2]" 1
470 1 27 SER HA 1 28 ASP HB2 . . 5.500 5.452 5.383 5.564 0.064 14 0 "[ . 1 . 2]" 1
471 1 27 SER HA 1 29 TYR H . . 4.060 3.965 3.827 4.050 . 0 0 "[ . 1 . 2]" 1
472 1 27 SER QB 1 28 ASP HB2 . . 5.340 5.138 4.969 5.354 0.014 4 0 "[ . 1 . 2]" 1
473 1 28 ASP H 1 28 ASP HB2 . . 3.370 2.384 2.316 2.417 . 0 0 "[ . 1 . 2]" 1
474 1 28 ASP H 1 28 ASP HB3 . . 3.610 3.604 3.579 3.618 0.008 13 0 "[ . 1 . 2]" 1
475 1 28 ASP H 1 29 TYR H . . 3.110 2.253 1.974 2.977 . 0 0 "[ . 1 . 2]" 1
476 1 28 ASP H 1 29 TYR QD . . 4.420 3.285 2.791 4.162 . 0 0 "[ . 1 . 2]" 1
477 1 28 ASP H 1 29 TYR QE . . 5.000 4.409 4.050 5.007 0.007 14 0 "[ . 1 . 2]" 1
478 1 28 ASP HB2 1 29 TYR H . . 4.050 3.025 2.726 3.234 . 0 0 "[ . 1 . 2]" 1
479 1 28 ASP HB2 1 29 TYR QD . . 4.050 3.198 2.992 3.445 . 0 0 "[ . 1 . 2]" 1
480 1 28 ASP HB2 1 29 TYR QE . . 3.990 3.142 2.861 3.542 . 0 0 "[ . 1 . 2]" 1
481 1 28 ASP HB3 1 29 TYR H . . 4.270 3.698 3.417 3.875 . 0 0 "[ . 1 . 2]" 1
482 1 28 ASP HB3 1 29 TYR QD . . 4.480 4.133 3.997 4.302 . 0 0 "[ . 1 . 2]" 1
483 1 28 ASP HB3 1 29 TYR QE . . 4.720 4.114 3.908 4.437 . 0 0 "[ . 1 . 2]" 1
484 1 29 TYR H 1 29 TYR HB2 . . 3.420 2.701 2.640 2.744 . 0 0 "[ . 1 . 2]" 1
485 1 29 TYR H 1 29 TYR HB3 . . 3.860 3.722 3.644 3.773 . 0 0 "[ . 1 . 2]" 1
486 1 29 TYR H 1 29 TYR QD . . 3.420 2.244 2.052 2.481 . 0 0 "[ . 1 . 2]" 1
487 1 29 TYR H 1 47 LEU MD1 . . 5.500 5.444 5.304 5.504 0.004 19 0 "[ . 1 . 2]" 1
488 1 29 TYR HA 1 29 TYR QD . . 3.510 3.090 2.989 3.203 . 0 0 "[ . 1 . 2]" 1
489 1 29 TYR HA 1 30 GLU H . . 3.140 2.564 2.480 2.654 . 0 0 "[ . 1 . 2]" 1
490 1 29 TYR HB2 1 30 GLU H . . 3.760 3.089 2.897 3.282 . 0 0 "[ . 1 . 2]" 1
491 1 29 TYR HB2 1 31 LEU MD2 . . 4.270 4.195 4.042 4.268 . 0 0 "[ . 1 . 2]" 1
492 1 29 TYR HB2 1 31 LEU HG . . 4.250 4.163 4.030 4.255 0.005 14 0 "[ . 1 . 2]" 1
493 1 29 TYR HB2 1 47 LEU MD1 . . 4.000 3.372 3.243 3.543 . 0 0 "[ . 1 . 2]" 1
494 1 29 TYR HB2 1 47 LEU MD2 . . 3.850 1.977 1.892 2.115 . 0 0 "[ . 1 . 2]" 1
495 1 29 TYR HB3 1 30 GLU H . . 3.520 2.227 2.112 2.345 . 0 0 "[ . 1 . 2]" 1
496 1 29 TYR HB3 1 47 LEU MD1 . . 3.990 3.576 3.352 3.813 . 0 0 "[ . 1 . 2]" 1
497 1 29 TYR HB3 1 47 LEU MD2 . . 3.730 2.196 1.965 2.508 . 0 0 "[ . 1 . 2]" 1
498 1 29 TYR QD 1 30 GLU H . . 4.250 4.040 4.012 4.064 . 0 0 "[ . 1 . 2]" 1
499 1 29 TYR QD 1 30 GLU QB . . 5.500 5.497 5.465 5.514 0.014 14 0 "[ . 1 . 2]" 1
500 1 29 TYR QD 1 31 LEU MD2 . . 4.870 4.811 4.665 4.871 0.001 3 0 "[ . 1 . 2]" 1
501 1 29 TYR QD 1 47 LEU MD1 . . 3.790 3.644 3.489 3.789 . 0 0 "[ . 1 . 2]" 1
502 1 29 TYR QD 1 47 LEU MD2 . . 3.730 3.252 3.005 3.519 . 0 0 "[ . 1 . 2]" 1
503 1 29 TYR QD 1 52 GLN HA . . 4.080 3.366 2.981 3.757 . 0 0 "[ . 1 . 2]" 1
504 1 29 TYR QD 1 52 GLN HB2 . . 4.620 4.062 3.794 4.408 . 0 0 "[ . 1 . 2]" 1
505 1 29 TYR QD 1 52 GLN HB3 . . 3.610 2.616 2.212 2.935 . 0 0 "[ . 1 . 2]" 1
506 1 29 TYR QD 1 52 GLN HG2 . . 4.010 2.206 1.994 2.818 . 0 0 "[ . 1 . 2]" 1
507 1 29 TYR QD 1 52 GLN HG3 . . 4.510 3.817 3.677 4.281 . 0 0 "[ . 1 . 2]" 1
508 1 29 TYR QD 1 55 ALA MB . . 5.180 4.451 4.094 4.847 . 0 0 "[ . 1 . 2]" 1
509 1 29 TYR QD 1 56 ALA MB . . 4.430 3.923 3.751 4.141 . 0 0 "[ . 1 . 2]" 1
510 1 29 TYR QE 1 47 LEU MD1 . . 4.660 4.353 4.053 4.646 . 0 0 "[ . 1 . 2]" 1
511 1 29 TYR QE 1 52 GLN HA . . 3.990 3.159 2.800 3.694 . 0 0 "[ . 1 . 2]" 1
512 1 29 TYR QE 1 52 GLN HB3 . . 5.060 3.867 3.400 4.296 . 0 0 "[ . 1 . 2]" 1
513 1 29 TYR QE 1 55 ALA MB . . 3.220 2.917 2.531 3.220 . 4 0 "[ . 1 . 2]" 1
514 1 29 TYR QE 1 56 ALA HA . . 4.220 3.968 3.680 4.204 . 0 0 "[ . 1 . 2]" 1
515 1 29 TYR QE 1 56 ALA MB . . 3.700 3.324 3.063 3.605 . 0 0 "[ . 1 . 2]" 1
516 1 30 GLU H 1 30 GLU QB . . 3.060 2.185 2.164 2.219 . 0 0 "[ . 1 . 2]" 1
517 1 30 GLU H 1 30 GLU HG2 . . 4.180 3.656 3.091 4.180 0.000 1 0 "[ . 1 . 2]" 1
518 1 30 GLU H 1 30 GLU HG3 . . 4.180 3.905 3.043 4.181 0.001 19 0 "[ . 1 . 2]" 1
519 1 30 GLU H 1 47 LEU MD1 . . 5.260 5.035 4.826 5.237 . 0 0 "[ . 1 . 2]" 1
520 1 30 GLU H 1 47 LEU MD2 . . 4.080 3.017 2.755 3.227 . 0 0 "[ . 1 . 2]" 1
521 1 30 GLU H 1 48 LEU QB . . 4.510 4.026 3.664 4.284 . 0 0 "[ . 1 . 2]" 1
522 1 30 GLU H 1 52 GLN HE21 . . 4.540 3.757 2.174 4.376 . 0 0 "[ . 1 . 2]" 1
523 1 30 GLU H 1 52 GLN QE . . 3.830 2.486 1.862 3.015 . 0 0 "[ . 1 . 2]" 1
524 1 30 GLU H 1 52 GLN HE22 . . 4.540 2.551 1.870 3.082 . 0 0 "[ . 1 . 2]" 1
525 1 30 GLU HA 1 30 GLU HG2 . . 3.790 2.903 2.179 3.637 . 0 0 "[ . 1 . 2]" 1
526 1 30 GLU HA 1 30 GLU QG . . 3.310 2.389 2.139 2.551 . 0 0 "[ . 1 . 2]" 1
527 1 30 GLU HA 1 30 GLU HG3 . . 3.790 3.079 2.376 3.638 . 0 0 "[ . 1 . 2]" 1
528 1 30 GLU HA 1 31 LEU H . . 2.740 2.154 2.148 2.159 . 0 0 "[ . 1 . 2]" 1
529 1 30 GLU HA 1 48 LEU QB . . 5.270 5.147 4.844 5.272 0.002 19 0 "[ . 1 . 2]" 1
530 1 30 GLU QB 1 31 LEU H . . 3.680 3.584 3.562 3.609 . 0 0 "[ . 1 . 2]" 1
531 1 30 GLU QB 1 48 LEU HA . . 4.660 4.467 4.055 4.661 0.001 4 0 "[ . 1 . 2]" 1
532 1 30 GLU QB 1 48 LEU QB . . 3.360 2.554 2.256 2.686 . 0 0 "[ . 1 . 2]" 1
533 1 30 GLU QB 1 48 LEU QD . . 3.280 3.016 2.803 3.202 . 0 0 "[ . 1 . 2]" 1
534 1 30 GLU QB 1 52 GLN HE21 . . 4.700 4.017 3.077 4.701 0.001 4 0 "[ . 1 . 2]" 1
535 1 30 GLU QB 1 52 GLN QE . . 3.900 2.443 1.928 3.145 . 0 0 "[ . 1 . 2]" 1
536 1 30 GLU QB 1 52 GLN HE22 . . 4.700 2.465 1.938 3.194 . 0 0 "[ . 1 . 2]" 1
537 1 30 GLU QG 1 31 LEU H . . 4.570 4.194 3.943 4.479 . 0 0 "[ . 1 . 2]" 1
538 1 30 GLU QG 1 48 LEU QD . . 3.560 3.240 2.844 3.566 0.006 14 0 "[ . 1 . 2]" 1
539 1 30 GLU QG 1 52 GLN QE . . 4.240 3.797 3.191 4.207 . 0 0 "[ . 1 . 2]" 1
540 1 31 LEU H 1 31 LEU HB2 . . 3.340 2.286 2.260 2.321 . 0 0 "[ . 1 . 2]" 1
541 1 31 LEU H 1 31 LEU HB3 . . 3.870 3.560 3.545 3.576 . 0 0 "[ . 1 . 2]" 1
542 1 31 LEU H 1 31 LEU MD1 . . 3.920 3.717 3.573 3.878 . 0 0 "[ . 1 . 2]" 1
543 1 31 LEU H 1 31 LEU MD2 . . 4.190 3.914 3.820 3.999 . 0 0 "[ . 1 . 2]" 1
544 1 31 LEU H 1 31 LEU HG . . 3.630 2.908 2.696 3.025 . 0 0 "[ . 1 . 2]" 1
545 1 31 LEU HA 1 31 LEU MD1 . . 3.960 3.854 3.828 3.875 . 0 0 "[ . 1 . 2]" 1
546 1 31 LEU HA 1 31 LEU MD2 . . 3.350 2.027 1.973 2.107 . 0 0 "[ . 1 . 2]" 1
547 1 31 LEU HA 1 31 LEU HG . . 3.720 2.850 2.810 2.915 . 0 0 "[ . 1 . 2]" 1
548 1 31 LEU HA 1 32 LYS H . . 3.090 2.225 2.200 2.268 . 0 0 "[ . 1 . 2]" 1
549 1 31 LEU HA 1 33 TYR H . . 3.690 3.579 3.433 3.711 0.021 15 0 "[ . 1 . 2]" 1
550 1 31 LEU HA 1 45 VAL MG1 . . 4.040 3.597 3.448 3.747 . 0 0 "[ . 1 . 2]" 1
551 1 31 LEU HB2 1 32 LYS H . . 4.730 4.532 4.506 4.550 . 0 0 "[ . 1 . 2]" 1
552 1 31 LEU HB3 1 31 LEU MD1 . . 3.580 2.476 2.315 2.550 . 0 0 "[ . 1 . 2]" 1
553 1 31 LEU HB3 1 31 LEU MD2 . . 3.610 2.319 2.261 2.355 . 0 0 "[ . 1 . 2]" 1
554 1 31 LEU HB3 1 32 LYS H . . 4.130 3.947 3.882 4.034 . 0 0 "[ . 1 . 2]" 1
555 1 31 LEU HB3 1 33 TYR H . . 4.040 3.965 3.663 4.052 0.012 14 0 "[ . 1 . 2]" 1
556 1 31 LEU HB3 1 34 CYS HB2 . . 5.020 4.646 3.370 5.021 0.001 11 0 "[ . 1 . 2]" 1
557 1 31 LEU HB3 1 34 CYS QB . . 4.250 3.343 3.216 3.420 . 0 0 "[ . 1 . 2]" 1
558 1 31 LEU HB3 1 34 CYS HB3 . . 5.020 3.620 3.257 4.583 . 0 0 "[ . 1 . 2]" 1
559 1 31 LEU HB3 1 45 VAL MG1 . . 3.890 3.719 3.561 3.865 . 0 0 "[ . 1 . 2]" 1
560 1 31 LEU MD1 1 32 LYS H . . 5.500 5.494 5.465 5.514 0.014 14 0 "[ . 1 . 2]" 1
561 1 31 LEU MD1 1 34 CYS HA . . 4.990 4.935 4.774 4.994 0.004 6 0 "[ . 1 . 2]" 1
562 1 31 LEU MD1 1 34 CYS HB2 . . 4.420 3.982 3.065 4.325 . 0 0 "[ . 1 . 2]" 1
563 1 31 LEU MD1 1 34 CYS QB . . 3.550 3.277 2.989 3.515 . 0 0 "[ . 1 . 2]" 1
564 1 31 LEU MD1 1 34 CYS HB3 . . 4.420 3.646 3.108 4.234 . 0 0 "[ . 1 . 2]" 1
565 1 31 LEU MD2 1 34 CYS HB2 . . 4.340 3.926 2.760 4.341 0.001 19 0 "[ . 1 . 2]" 1
566 1 31 LEU MD2 1 34 CYS QB . . 3.770 3.210 2.731 3.531 . 0 0 "[ . 1 . 2]" 1
567 1 31 LEU MD2 1 34 CYS HB3 . . 4.340 3.651 3.165 4.339 . 0 0 "[ . 1 . 2]" 1
568 1 32 LYS H 1 32 LYS HB2 . . 3.890 2.313 2.192 2.480 . 0 0 "[ . 1 . 2]" 1
569 1 32 LYS H 1 32 LYS QB . . 3.360 2.285 2.170 2.439 . 0 0 "[ . 1 . 2]" 1
570 1 32 LYS H 1 32 LYS HB3 . . 3.890 3.557 3.495 3.603 . 0 0 "[ . 1 . 2]" 1
571 1 32 LYS H 1 32 LYS QD . . 4.280 3.826 2.068 4.247 . 0 0 "[ . 1 . 2]" 1
572 1 32 LYS H 1 32 LYS HG2 . . 4.570 2.758 2.275 3.911 . 0 0 "[ . 1 . 2]" 1
573 1 32 LYS H 1 32 LYS QG . . 3.770 2.669 2.248 3.527 . 0 0 "[ . 1 . 2]" 1
574 1 32 LYS H 1 32 LYS HG3 . . 4.570 3.733 3.509 4.011 . 0 0 "[ . 1 . 2]" 1
575 1 32 LYS H 1 33 TYR H . . 2.860 2.520 2.435 2.758 . 0 0 "[ . 1 . 2]" 1
576 1 32 LYS H 1 46 THR HB . . 4.810 4.697 4.542 4.814 0.004 16 0 "[ . 1 . 2]" 1
577 1 32 LYS H 1 47 LEU HA . . 4.210 3.115 2.653 3.399 . 0 0 "[ . 1 . 2]" 1
578 1 32 LYS H 1 48 LEU H . . 4.960 4.457 3.993 4.812 . 0 0 "[ . 1 . 2]" 1
579 1 32 LYS HA 1 32 LYS QD . . 3.450 2.174 2.028 2.494 . 0 0 "[ . 1 . 2]" 1
580 1 32 LYS HA 1 32 LYS HG2 . . 3.860 2.846 2.562 3.664 . 0 0 "[ . 1 . 2]" 1
581 1 32 LYS HA 1 32 LYS HG3 . . 3.860 3.588 2.472 3.799 . 0 0 "[ . 1 . 2]" 1
582 1 32 LYS QB 1 33 TYR H . . 3.330 2.686 2.573 2.833 . 0 0 "[ . 1 . 2]" 1
583 1 32 LYS QB 1 33 TYR QB . . 4.190 3.322 3.220 3.359 . 0 0 "[ . 1 . 2]" 1
584 1 32 LYS QB 1 46 THR HB . . 3.890 3.355 3.009 3.547 . 0 0 "[ . 1 . 2]" 1
585 1 32 LYS QB 1 48 LEU H . . 5.300 4.754 4.209 5.205 . 0 0 "[ . 1 . 2]" 1
586 1 32 LYS HB2 1 33 TYR H . . 3.850 2.782 2.643 2.928 . 0 0 "[ . 1 . 2]" 1
587 1 32 LYS HB2 1 46 THR HB . . 4.600 3.501 3.273 3.777 . 0 0 "[ . 1 . 2]" 1
588 1 32 LYS HB3 1 33 TYR H . . 3.850 3.561 3.184 3.767 . 0 0 "[ . 1 . 2]" 1
589 1 32 LYS HB3 1 46 THR HB . . 4.600 4.343 3.513 4.607 0.007 6 0 "[ . 1 . 2]" 1
590 1 32 LYS QD 1 33 TYR H . . 4.980 4.861 4.051 4.980 0.000 7 0 "[ . 1 . 2]" 1
591 1 32 LYS QD 1 48 LEU HA . . 5.500 4.413 2.199 5.161 . 0 0 "[ . 1 . 2]" 1
592 1 32 LYS QE 1 32 LYS QG . . 3.130 2.178 2.045 2.347 . 0 0 "[ . 1 . 2]" 1
593 1 32 LYS QE 1 48 LEU QD . . 3.370 2.618 1.732 3.330 . 0 0 "[ . 1 . 2]" 1
594 1 32 LYS HE2 1 32 LYS HG2 . . 4.000 3.000 2.209 4.068 0.068 2 0 "[ . 1 . 2]" 1
595 1 32 LYS HE2 1 32 LYS HG3 . . 4.000 3.172 2.251 3.873 . 0 0 "[ . 1 . 2]" 1
596 1 32 LYS HE3 1 32 LYS HG2 . . 4.000 3.032 2.191 3.838 . 0 0 "[ . 1 . 2]" 1
597 1 32 LYS HE3 1 32 LYS HG3 . . 4.000 2.828 2.085 3.692 . 0 0 "[ . 1 . 2]" 1
598 1 32 LYS QG 1 33 TYR H . . 4.430 4.260 4.018 4.489 0.059 14 0 "[ . 1 . 2]" 1
599 1 32 LYS QG 1 48 LEU HA . . 3.320 2.730 2.334 3.085 . 0 0 "[ . 1 . 2]" 1
600 1 32 LYS HG2 1 33 TYR H . . 5.140 4.603 4.290 5.026 . 0 0 "[ . 1 . 2]" 1
601 1 32 LYS HG2 1 48 LEU HA . . 4.070 3.535 2.567 4.068 . 0 0 "[ . 1 . 2]" 1
602 1 32 LYS HG3 1 33 TYR H . . 5.140 5.036 4.845 5.142 0.002 16 0 "[ . 1 . 2]" 1
603 1 32 LYS HG3 1 48 LEU HA . . 4.070 2.965 2.576 4.074 0.004 14 0 "[ . 1 . 2]" 1
604 1 33 TYR H 1 33 TYR HB2 . . 3.890 3.431 3.343 3.576 . 0 0 "[ . 1 . 2]" 1
605 1 33 TYR H 1 33 TYR HB3 . . 3.890 2.783 2.699 2.946 . 0 0 "[ . 1 . 2]" 1
606 1 33 TYR H 1 45 VAL HA . . 5.350 5.079 4.917 5.305 . 0 0 "[ . 1 . 2]" 1
607 1 33 TYR H 1 45 VAL MG1 . . 4.590 3.632 3.410 3.858 . 0 0 "[ . 1 . 2]" 1
608 1 33 TYR H 1 46 THR H . . 4.520 3.351 3.140 3.526 . 0 0 "[ . 1 . 2]" 1
609 1 33 TYR H 1 46 THR HB . . 3.420 3.223 2.833 3.405 . 0 0 "[ . 1 . 2]" 1
610 1 33 TYR H 1 46 THR MG . . 4.520 4.464 4.152 4.533 0.013 6 0 "[ . 1 . 2]" 1
611 1 33 TYR HA 1 33 TYR QD . . 3.610 2.306 2.149 2.596 . 0 0 "[ . 1 . 2]" 1
612 1 33 TYR QB 1 46 THR H . . 4.010 3.001 2.700 3.320 . 0 0 "[ . 1 . 2]" 1
613 1 33 TYR QB 1 46 THR HB . . 3.190 2.017 1.976 2.119 . 0 0 "[ . 1 . 2]" 1
614 1 33 TYR QB 1 46 THR MG . . 4.050 3.470 3.353 3.545 . 0 0 "[ . 1 . 2]" 1
615 1 33 TYR HB2 1 46 THR HB . . 3.730 3.485 3.289 3.676 . 0 0 "[ . 1 . 2]" 1
616 1 33 TYR HB2 1 46 THR MG . . 4.860 4.532 4.366 4.730 . 0 0 "[ . 1 . 2]" 1
617 1 33 TYR HB3 1 46 THR HB . . 3.730 2.030 1.992 2.133 . 0 0 "[ . 1 . 2]" 1
618 1 33 TYR HB3 1 46 THR MG . . 4.860 3.604 3.451 3.665 . 0 0 "[ . 1 . 2]" 1
619 1 33 TYR QD 1 34 CYS HA . . 4.890 4.397 4.137 4.513 . 0 0 "[ . 1 . 2]" 1
620 1 33 TYR QD 1 45 VAL HA . . 5.160 4.185 3.803 4.736 . 0 0 "[ . 1 . 2]" 1
621 1 33 TYR QD 1 45 VAL MG1 . . 4.870 4.851 4.679 4.876 0.006 6 0 "[ . 1 . 2]" 1
622 1 33 TYR QD 1 46 THR H . . 4.450 3.462 3.173 4.086 . 0 0 "[ . 1 . 2]" 1
623 1 33 TYR QD 1 46 THR HB . . 3.980 3.146 3.024 3.240 . 0 0 "[ . 1 . 2]" 1
624 1 33 TYR QD 1 46 THR MG . . 4.100 3.868 3.799 3.942 . 0 0 "[ . 1 . 2]" 1
625 1 33 TYR QE 1 35 PHE HB2 . . 4.000 2.838 2.414 3.118 . 0 0 "[ . 1 . 2]" 1
626 1 33 TYR QE 1 35 PHE HB3 . . 4.000 3.653 3.234 4.007 0.007 16 0 "[ . 1 . 2]" 1
627 1 33 TYR QE 1 46 THR HB . . 5.500 5.417 5.160 5.508 0.008 6 0 "[ . 1 . 2]" 1
628 1 33 TYR QE 1 46 THR MG . . 5.500 5.495 5.426 5.526 0.026 6 0 "[ . 1 . 2]" 1
629 1 34 CYS HA 1 35 PHE H . . 3.220 2.156 2.149 2.158 . 0 0 "[ . 1 . 2]" 1
630 1 34 CYS HA 1 45 VAL MG1 . . 3.360 2.684 2.157 2.921 . 0 0 "[ . 1 . 2]" 1
631 1 34 CYS HA 1 45 VAL MG2 . . 3.380 2.836 2.118 3.212 . 0 0 "[ . 1 . 2]" 1
632 1 34 CYS QB 1 45 VAL MG1 . . 3.700 3.269 2.571 3.634 . 0 0 "[ . 1 . 2]" 1
633 1 34 CYS HB2 1 35 PHE H . . 4.800 3.438 3.240 4.170 . 0 0 "[ . 1 . 2]" 1
634 1 34 CYS HB2 1 45 VAL MG1 . . 4.240 3.763 2.602 4.241 0.001 4 0 "[ . 1 . 2]" 1
635 1 34 CYS HB3 1 35 PHE H . . 4.800 4.252 4.167 4.319 . 0 0 "[ . 1 . 2]" 1
636 1 34 CYS HB3 1 45 VAL MG1 . . 4.240 3.785 3.324 4.226 . 0 0 "[ . 1 . 2]" 1
637 1 35 PHE H 1 35 PHE HB2 . . 3.820 3.206 3.083 3.479 . 0 0 "[ . 1 . 2]" 1
638 1 35 PHE H 1 35 PHE HB3 . . 3.820 2.825 2.694 2.980 . 0 0 "[ . 1 . 2]" 1
639 1 35 PHE H 1 45 VAL MG2 . . 4.500 2.665 2.271 2.925 . 0 0 "[ . 1 . 2]" 1
640 1 35 PHE QD 1 37 ASP QB . . 3.980 3.717 3.441 3.991 0.011 11 0 "[ . 1 . 2]" 1
641 1 35 PHE QE 1 37 ASP HB2 . . 4.480 2.670 1.999 4.028 . 0 0 "[ . 1 . 2]" 1
642 1 35 PHE QE 1 37 ASP QB . . 3.820 2.547 1.910 3.755 . 0 0 "[ . 1 . 2]" 1
643 1 35 PHE QE 1 37 ASP HB3 . . 4.480 3.637 2.395 4.487 0.007 13 0 "[ . 1 . 2]" 1
644 1 36 VAL H 1 36 VAL HB . . 3.550 2.624 2.521 2.720 . 0 0 "[ . 1 . 2]" 1
645 1 36 VAL H 1 36 VAL MG1 . . 4.530 3.811 3.736 3.860 . 0 0 "[ . 1 . 2]" 1
646 1 36 VAL H 1 36 VAL MG2 . . 3.620 2.994 2.829 3.155 . 0 0 "[ . 1 . 2]" 1
647 1 36 VAL HA 1 36 VAL MG1 . . 3.310 2.443 2.339 2.530 . 0 0 "[ . 1 . 2]" 1
648 1 36 VAL HA 1 36 VAL MG2 . . 3.230 2.231 2.128 2.317 . 0 0 "[ . 1 . 2]" 1
649 1 36 VAL HA 1 37 ASP H . . 3.270 2.140 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
650 1 36 VAL HA 1 37 ASP QB . . 5.340 4.115 4.055 4.415 . 0 0 "[ . 1 . 2]" 1
651 1 36 VAL HA 1 43 ALA HA . . 3.290 2.583 2.359 2.710 . 0 0 "[ . 1 . 2]" 1
652 1 36 VAL HA 1 43 ALA MB . . 3.550 2.578 2.229 2.875 . 0 0 "[ . 1 . 2]" 1
653 1 36 VAL HA 1 44 PHE H . . 4.120 3.457 3.223 3.574 . 0 0 "[ . 1 . 2]" 1
654 1 36 VAL HA 1 44 PHE QB . . 5.500 5.428 5.272 5.492 . 0 0 "[ . 1 . 2]" 1
655 1 36 VAL HB 1 37 ASP H . . 4.930 4.334 4.233 4.393 . 0 0 "[ . 1 . 2]" 1
656 1 36 VAL MG1 1 37 ASP H . . 3.630 2.819 2.610 2.893 . 0 0 "[ . 1 . 2]" 1
657 1 36 VAL MG1 1 37 ASP QB . . 4.940 4.362 4.263 4.518 . 0 0 "[ . 1 . 2]" 1
658 1 36 VAL MG1 1 38 LYS H . . 4.670 3.255 3.043 3.663 . 0 0 "[ . 1 . 2]" 1
659 1 36 VAL MG1 1 38 LYS HA . . 3.970 3.883 3.653 3.972 0.002 11 0 "[ . 1 . 2]" 1
660 1 36 VAL MG1 1 38 LYS HB2 . . 4.930 4.826 4.730 4.924 . 0 0 "[ . 1 . 2]" 1
661 1 36 VAL MG1 1 38 LYS HB3 . . 4.180 3.466 3.352 3.555 . 0 0 "[ . 1 . 2]" 1
662 1 36 VAL MG1 1 38 LYS HG2 . . 4.770 4.469 3.962 4.712 . 0 0 "[ . 1 . 2]" 1
663 1 36 VAL MG1 1 43 ALA HA . . 4.110 3.948 3.647 4.110 0.000 11 0 "[ . 1 . 2]" 1
664 1 36 VAL MG2 1 43 ALA HA . . 4.310 3.841 3.709 4.017 . 0 0 "[ . 1 . 2]" 1
665 1 36 VAL MG2 1 43 ALA MB . . 2.540 2.422 2.179 2.537 . 0 0 "[ . 1 . 2]" 1
666 1 37 ASP H 1 37 ASP HB2 . . 3.800 3.007 2.340 3.744 . 0 0 "[ . 1 . 2]" 1
667 1 37 ASP H 1 37 ASP HB3 . . 3.800 2.691 2.492 3.550 . 0 0 "[ . 1 . 2]" 1
668 1 37 ASP H 1 42 THR H . . 4.270 4.102 3.896 4.263 . 0 0 "[ . 1 . 2]" 1
669 1 37 ASP H 1 43 ALA HA . . 4.290 2.577 2.221 2.840 . 0 0 "[ . 1 . 2]" 1
670 1 37 ASP QB 1 40 LYS QB . . 3.900 3.316 2.637 3.707 . 0 0 "[ . 1 . 2]" 1
671 1 37 ASP QB 1 40 LYS HG2 . . 4.640 4.406 3.402 4.640 0.000 16 0 "[ . 1 . 2]" 1
672 1 37 ASP QB 1 40 LYS HG3 . . 4.260 4.052 2.856 4.261 0.001 14 0 "[ . 1 . 2]" 1
673 1 37 ASP QB 1 42 THR H . . 3.900 3.181 2.534 3.901 0.001 11 0 "[ . 1 . 2]" 1
674 1 37 ASP QB 1 43 ALA HA . . 4.630 3.839 3.308 4.486 . 0 0 "[ . 1 . 2]" 1
675 1 37 ASP HB2 1 40 LYS HG2 . . 5.500 5.302 3.466 5.501 0.001 5 0 "[ . 1 . 2]" 1
676 1 37 ASP HB3 1 40 LYS HG2 . . 5.500 4.777 3.855 5.043 . 0 0 "[ . 1 . 2]" 1
677 1 38 LYS H 1 38 LYS HB2 . . 4.030 3.603 3.590 3.638 . 0 0 "[ . 1 . 2]" 1
678 1 38 LYS H 1 38 LYS HB3 . . 4.130 2.593 2.504 2.759 . 0 0 "[ . 1 . 2]" 1
679 1 38 LYS H 1 38 LYS HG2 . . 4.000 2.143 1.902 2.401 . 0 0 "[ . 1 . 2]" 1
680 1 38 LYS H 1 38 LYS HG3 . . 4.470 3.197 2.796 3.498 . 0 0 "[ . 1 . 2]" 1
681 1 38 LYS H 1 39 TYR H . . 4.260 2.539 2.325 2.687 . 0 0 "[ . 1 . 2]" 1
682 1 38 LYS H 1 39 TYR QB . . 4.930 4.766 4.630 4.895 . 0 0 "[ . 1 . 2]" 1
683 1 38 LYS HA 1 38 LYS QD . . 4.480 4.357 4.220 4.450 . 0 0 "[ . 1 . 2]" 1
684 1 38 LYS HA 1 38 LYS HG2 . . 3.950 3.783 3.671 3.945 . 0 0 "[ . 1 . 2]" 1
685 1 38 LYS HA 1 38 LYS HG3 . . 3.850 3.731 3.607 3.849 . 0 0 "[ . 1 . 2]" 1
686 1 38 LYS HA 1 40 LYS H . . 4.980 4.819 4.541 4.970 . 0 0 "[ . 1 . 2]" 1
687 1 38 LYS HA 1 41 GLY H . . 3.900 3.361 3.077 3.604 . 0 0 "[ . 1 . 2]" 1
688 1 38 LYS HA 1 42 THR H . . 4.520 4.093 3.712 4.496 . 0 0 "[ . 1 . 2]" 1
689 1 38 LYS HB2 1 39 TYR H . . 4.430 3.780 3.510 4.176 . 0 0 "[ . 1 . 2]" 1
690 1 38 LYS HB2 1 39 TYR HA . . 4.750 4.582 4.400 4.733 . 0 0 "[ . 1 . 2]" 1
691 1 38 LYS HB2 1 39 TYR QD . . 5.500 5.024 4.353 5.322 . 0 0 "[ . 1 . 2]" 1
692 1 38 LYS HB3 1 39 TYR H . . 4.840 3.924 3.817 4.193 . 0 0 "[ . 1 . 2]" 1
693 1 38 LYS QD 1 39 TYR H . . 5.090 4.065 3.827 4.459 . 0 0 "[ . 1 . 2]" 1
694 1 38 LYS QD 1 39 TYR QD . . 4.610 3.935 2.896 4.519 . 0 0 "[ . 1 . 2]" 1
695 1 38 LYS QD 1 39 TYR QE . . 4.590 3.349 2.401 4.396 . 0 0 "[ . 1 . 2]" 1
696 1 38 LYS QE 1 38 LYS HG2 . . 3.410 2.868 2.118 3.398 . 0 0 "[ . 1 . 2]" 1
697 1 38 LYS QE 1 38 LYS HG3 . . 3.510 2.672 2.125 3.510 . 0 0 "[ . 1 . 2]" 1
698 1 38 LYS QE 1 39 TYR QD . . 5.000 4.110 2.995 4.932 . 0 0 "[ . 1 . 2]" 1
699 1 38 LYS QE 1 39 TYR QE . . 4.140 3.848 2.643 4.122 . 0 0 "[ . 1 . 2]" 1
700 1 38 LYS HG2 1 39 TYR H . . 4.580 2.602 2.068 3.534 . 0 0 "[ . 1 . 2]" 1
701 1 38 LYS HG2 1 39 TYR QD . . 4.740 3.861 3.560 4.248 . 0 0 "[ . 1 . 2]" 1
702 1 38 LYS HG3 1 39 TYR H . . 4.740 2.249 1.927 2.651 . 0 0 "[ . 1 . 2]" 1
703 1 38 LYS HG3 1 39 TYR QD . . 4.980 2.881 2.062 3.315 . 0 0 "[ . 1 . 2]" 1
704 1 39 TYR H 1 39 TYR QB . . 3.270 2.734 2.667 2.833 . 0 0 "[ . 1 . 2]" 1
705 1 39 TYR H 1 39 TYR QD . . 3.680 2.879 2.741 2.945 . 0 0 "[ . 1 . 2]" 1
706 1 39 TYR H 1 40 LYS H . . 3.610 3.135 2.702 3.312 . 0 0 "[ . 1 . 2]" 1
707 1 39 TYR HA 1 39 TYR QD . . 3.350 2.371 2.232 2.520 . 0 0 "[ . 1 . 2]" 1
708 1 39 TYR HA 1 39 TYR QE . . 4.720 4.600 4.525 4.698 . 0 0 "[ . 1 . 2]" 1
709 1 39 TYR QB 1 40 LYS H . . 3.450 2.017 1.910 2.242 . 0 0 "[ . 1 . 2]" 1
710 1 39 TYR QB 1 40 LYS HG2 . . 4.370 2.643 2.537 3.076 . 0 0 "[ . 1 . 2]" 1
711 1 39 TYR QB 1 40 LYS HG3 . . 4.320 4.061 3.265 4.242 . 0 0 "[ . 1 . 2]" 1
712 1 39 TYR QB 1 41 GLY H . . 4.230 4.179 4.104 4.229 . 0 0 "[ . 1 . 2]" 1
713 1 39 TYR QD 1 40 LYS HG2 . . 4.550 4.096 3.649 4.551 0.001 20 0 "[ . 1 . 2]" 1
714 1 39 TYR QD 1 40 LYS HG3 . . 5.180 5.055 4.074 5.176 . 0 0 "[ . 1 . 2]" 1
715 1 40 LYS H 1 40 LYS HB2 . . 3.780 2.570 2.441 2.669 . 0 0 "[ . 1 . 2]" 1
716 1 40 LYS H 1 40 LYS HB3 . . 3.780 3.600 3.590 3.620 . 0 0 "[ . 1 . 2]" 1
717 1 40 LYS H 1 40 LYS QE . . 4.820 4.349 3.523 4.820 0.000 11 0 "[ . 1 . 2]" 1
718 1 40 LYS H 1 40 LYS HG2 . . 3.820 2.140 1.910 2.679 . 0 0 "[ . 1 . 2]" 1
719 1 40 LYS H 1 40 LYS HG3 . . 3.470 3.289 2.358 3.468 . 0 0 "[ . 1 . 2]" 1
720 1 40 LYS H 1 41 GLY H . . 3.100 2.562 2.413 2.846 . 0 0 "[ . 1 . 2]" 1
721 1 40 LYS H 1 41 GLY HA2 . . 4.860 4.831 4.732 4.861 0.001 18 0 "[ . 1 . 2]" 1
722 1 40 LYS H 1 41 GLY HA3 . . 5.370 5.173 5.081 5.313 . 0 0 "[ . 1 . 2]" 1
723 1 40 LYS HA 1 40 LYS HD2 . . 4.230 3.455 2.060 4.276 0.046 20 0 "[ . 1 . 2]" 1
724 1 40 LYS HA 1 40 LYS QD . . 3.620 2.475 2.049 3.633 0.013 20 0 "[ . 1 . 2]" 1
725 1 40 LYS HA 1 40 LYS HD3 . . 4.230 2.825 2.296 3.931 . 0 0 "[ . 1 . 2]" 1
726 1 40 LYS HA 1 40 LYS HG2 . . 3.410 2.878 2.549 3.204 . 0 0 "[ . 1 . 2]" 1
727 1 40 LYS HA 1 40 LYS HG3 . . 4.040 3.824 3.593 3.876 . 0 0 "[ . 1 . 2]" 1
728 1 40 LYS HA 1 42 THR MG . . 4.780 4.710 4.331 4.789 0.009 6 0 "[ . 1 . 2]" 1
729 1 40 LYS QB 1 41 GLY H . . 3.740 2.864 2.607 3.711 . 0 0 "[ . 1 . 2]" 1
730 1 40 LYS QB 1 42 THR MG . . 3.660 2.903 2.820 3.227 . 0 0 "[ . 1 . 2]" 1
731 1 40 LYS HB2 1 41 GLY H . . 4.440 2.945 2.659 3.980 . 0 0 "[ . 1 . 2]" 1
732 1 40 LYS HB2 1 42 THR H . . 4.460 3.045 2.692 3.251 . 0 0 "[ . 1 . 2]" 1
733 1 40 LYS HB3 1 41 GLY H . . 4.440 3.979 3.757 4.437 . 0 0 "[ . 1 . 2]" 1
734 1 40 LYS HB3 1 42 THR H . . 4.460 4.283 3.945 4.461 0.001 19 0 "[ . 1 . 2]" 1
735 1 40 LYS QE 1 40 LYS HG2 . . 3.320 2.648 2.163 3.322 0.002 11 0 "[ . 1 . 2]" 1
736 1 40 LYS QE 1 40 LYS HG3 . . 3.910 2.598 2.057 3.500 . 0 0 "[ . 1 . 2]" 1
737 1 40 LYS HG2 1 41 GLY H . . 4.990 4.285 4.067 4.710 . 0 0 "[ . 1 . 2]" 1
738 1 41 GLY H 1 42 THR H . . 3.330 2.307 2.122 2.975 . 0 0 "[ . 1 . 2]" 1
739 1 41 GLY HA3 1 42 THR HA . . 5.050 4.580 4.555 4.599 . 0 0 "[ . 1 . 2]" 1
740 1 42 THR H 1 42 THR HB . . 4.060 3.881 3.839 3.920 . 0 0 "[ . 1 . 2]" 1
741 1 42 THR H 1 42 THR MG . . 3.560 2.981 2.892 3.091 . 0 0 "[ . 1 . 2]" 1
742 1 42 THR H 1 43 ALA H . . 4.640 4.437 4.420 4.459 . 0 0 "[ . 1 . 2]" 1
743 1 42 THR HA 1 42 THR MG . . 3.080 2.319 2.253 2.409 . 0 0 "[ . 1 . 2]" 1
744 1 42 THR HA 1 43 ALA H . . 3.030 2.413 2.335 2.493 . 0 0 "[ . 1 . 2]" 1
745 1 42 THR HA 1 43 ALA HA . . 4.580 4.472 4.434 4.503 . 0 0 "[ . 1 . 2]" 1
746 1 42 THR HA 1 43 ALA MB . . 4.000 3.795 3.739 3.867 . 0 0 "[ . 1 . 2]" 1
747 1 42 THR HB 1 43 ALA H . . 3.520 2.390 2.212 2.576 . 0 0 "[ . 1 . 2]" 1
748 1 42 THR HB 1 43 ALA MB . . 4.760 4.531 4.410 4.622 . 0 0 "[ . 1 . 2]" 1
749 1 42 THR MG 1 43 ALA H . . 3.970 3.745 3.653 3.860 . 0 0 "[ . 1 . 2]" 1
750 1 43 ALA H 1 43 ALA MB . . 3.330 2.579 2.421 2.659 . 0 0 "[ . 1 . 2]" 1
751 1 43 ALA HA 1 44 PHE H . . 2.980 2.165 2.156 2.187 . 0 0 "[ . 1 . 2]" 1
752 1 43 ALA HA 1 44 PHE QB . . 4.480 4.356 4.291 4.401 . 0 0 "[ . 1 . 2]" 1
753 1 43 ALA HA 1 44 PHE QD . . 4.610 3.608 3.259 3.747 . 0 0 "[ . 1 . 2]" 1
754 1 43 ALA MB 1 44 PHE H . . 3.770 3.062 2.953 3.129 . 0 0 "[ . 1 . 2]" 1
755 1 43 ALA MB 1 44 PHE QB . . 4.850 4.817 4.775 4.851 0.001 11 0 "[ . 1 . 2]" 1
756 1 43 ALA MB 1 44 PHE QD . . 4.850 4.765 4.556 4.851 0.001 6 0 "[ . 1 . 2]" 1
757 1 44 PHE H 1 44 PHE QB . . 3.290 2.515 2.445 2.614 . 0 0 "[ . 1 . 2]" 1
758 1 44 PHE H 1 44 PHE QD . . 3.990 2.760 2.391 2.995 . 0 0 "[ . 1 . 2]" 1
759 1 44 PHE H 1 45 VAL MG2 . . 4.140 3.769 3.619 4.022 . 0 0 "[ . 1 . 2]" 1
760 1 44 PHE HA 1 44 PHE QD . . 4.030 2.895 2.777 3.084 . 0 0 "[ . 1 . 2]" 1
761 1 44 PHE HA 1 45 VAL H . . 3.150 2.145 2.142 2.150 . 0 0 "[ . 1 . 2]" 1
762 1 44 PHE HA 1 45 VAL HA . . 5.110 4.400 4.397 4.403 . 0 0 "[ . 1 . 2]" 1
763 1 44 PHE HA 1 45 VAL HB . . 4.720 4.668 4.557 4.721 0.001 11 0 "[ . 1 . 2]" 1
764 1 44 PHE HA 1 45 VAL MG2 . . 3.920 3.605 3.461 3.709 . 0 0 "[ . 1 . 2]" 1
765 1 44 PHE QB 1 45 VAL H . . 4.150 3.245 3.198 3.275 . 0 0 "[ . 1 . 2]" 1
766 1 44 PHE QB 1 45 VAL HA . . 4.890 4.148 4.128 4.180 . 0 0 "[ . 1 . 2]" 1
767 1 44 PHE QB 1 45 VAL MG2 . . 5.320 4.298 4.203 4.440 . 0 0 "[ . 1 . 2]" 1
768 1 44 PHE QD 1 45 VAL H . . 4.420 4.181 4.032 4.363 . 0 0 "[ . 1 . 2]" 1
769 1 44 PHE QE 1 75 GLN QB . . 5.340 4.439 3.270 5.287 . 0 0 "[ . 1 . 2]" 1
770 1 44 PHE QE 1 76 PRO HD2 . . 5.100 3.621 3.083 4.715 . 0 0 "[ . 1 . 2]" 1
771 1 44 PHE QE 1 76 PRO HD3 . . 4.850 3.969 2.827 4.798 . 0 0 "[ . 1 . 2]" 1
772 1 44 PHE QE 1 76 PRO QG . . 5.350 4.168 2.822 4.882 . 0 0 "[ . 1 . 2]" 1
773 1 45 VAL H 1 45 VAL HB . . 3.730 2.772 2.708 2.828 . 0 0 "[ . 1 . 2]" 1
774 1 45 VAL H 1 45 VAL MG2 . . 3.640 2.813 2.623 2.912 . 0 0 "[ . 1 . 2]" 1
775 1 45 VAL HA 1 45 VAL MG1 . . 3.540 2.383 2.253 2.446 . 0 0 "[ . 1 . 2]" 1
776 1 45 VAL HA 1 45 VAL MG2 . . 3.600 2.408 2.326 2.509 . 0 0 "[ . 1 . 2]" 1
777 1 45 VAL HA 1 46 THR H . . 3.400 2.202 2.163 2.271 . 0 0 "[ . 1 . 2]" 1
778 1 45 VAL HA 1 46 THR HB . . 4.940 4.800 4.595 4.860 . 0 0 "[ . 1 . 2]" 1
779 1 45 VAL HB 1 46 THR H . . 4.870 3.961 3.804 4.079 . 0 0 "[ . 1 . 2]" 1
780 1 45 VAL MG1 1 46 THR H . . 3.430 2.163 1.956 2.515 . 0 0 "[ . 1 . 2]" 1
781 1 46 THR H 1 46 THR HB . . 3.480 2.745 2.615 2.831 . 0 0 "[ . 1 . 2]" 1
782 1 46 THR H 1 46 THR MG . . 3.930 3.875 3.847 3.900 . 0 0 "[ . 1 . 2]" 1
783 1 46 THR HB 1 47 LEU H . . 4.310 4.189 4.121 4.315 0.005 16 0 "[ . 1 . 2]" 1
784 1 46 THR MG 1 47 LEU H . . 3.740 2.810 2.649 3.017 . 0 0 "[ . 1 . 2]" 1
785 1 47 LEU H 1 47 LEU HB2 . . 3.890 2.210 2.185 2.281 . 0 0 "[ . 1 . 2]" 1
786 1 47 LEU H 1 47 LEU QB . . 3.350 2.187 2.163 2.256 . 0 0 "[ . 1 . 2]" 1
787 1 47 LEU H 1 47 LEU HB3 . . 3.890 3.498 3.478 3.552 . 0 0 "[ . 1 . 2]" 1
788 1 47 LEU H 1 47 LEU MD1 . . 3.950 3.815 3.680 3.933 . 0 0 "[ . 1 . 2]" 1
789 1 47 LEU H 1 47 LEU HG . . 3.700 3.198 3.080 3.308 . 0 0 "[ . 1 . 2]" 1
790 1 47 LEU HA 1 47 LEU MD1 . . 3.920 3.824 3.814 3.844 . 0 0 "[ . 1 . 2]" 1
791 1 47 LEU HA 1 47 LEU MD2 . . 3.200 2.133 1.976 2.431 . 0 0 "[ . 1 . 2]" 1
792 1 47 LEU HA 1 47 LEU HG . . 3.750 2.700 2.594 2.773 . 0 0 "[ . 1 . 2]" 1
793 1 47 LEU HA 1 48 LEU QB . . 4.570 4.298 4.246 4.385 . 0 0 "[ . 1 . 2]" 1
794 1 47 LEU QB 1 48 LEU H . . 3.260 2.087 2.010 2.170 . 0 0 "[ . 1 . 2]" 1
795 1 47 LEU QB 1 53 ALA HA . . 4.810 3.610 3.432 3.895 . 0 0 "[ . 1 . 2]" 1
796 1 47 LEU HB2 1 48 LEU H . . 3.920 3.587 3.519 3.662 . 0 0 "[ . 1 . 2]" 1
797 1 47 LEU HB2 1 53 ALA HA . . 5.500 3.757 3.546 4.089 . 0 0 "[ . 1 . 2]" 1
798 1 47 LEU HB3 1 48 LEU H . . 3.920 2.101 2.022 2.187 . 0 0 "[ . 1 . 2]" 1
799 1 47 LEU HB3 1 53 ALA HA . . 5.500 4.675 4.533 4.900 . 0 0 "[ . 1 . 2]" 1
800 1 47 LEU MD1 1 48 LEU H . . 4.570 4.083 3.976 4.255 . 0 0 "[ . 1 . 2]" 1
801 1 47 LEU MD1 1 52 GLN HA . . 4.190 3.535 3.413 3.650 . 0 0 "[ . 1 . 2]" 1
802 1 47 LEU MD1 1 52 GLN HB2 . . 4.100 2.136 1.971 2.388 . 0 0 "[ . 1 . 2]" 1
803 1 47 LEU MD1 1 52 GLN HB3 . . 3.980 2.202 1.936 2.505 . 0 0 "[ . 1 . 2]" 1
804 1 47 LEU MD1 1 53 ALA H . . 3.800 2.628 2.473 2.870 . 0 0 "[ . 1 . 2]" 1
805 1 47 LEU MD1 1 53 ALA HA . . 2.910 2.029 1.942 2.097 . 0 0 "[ . 1 . 2]" 1
806 1 47 LEU MD1 1 54 GLU H . . 5.010 4.442 4.325 4.548 . 0 0 "[ . 1 . 2]" 1
807 1 47 LEU MD2 1 48 LEU H . . 4.100 2.512 2.273 2.676 . 0 0 "[ . 1 . 2]" 1
808 1 47 LEU MD2 1 52 GLN HA . . 4.880 4.619 4.395 4.798 . 0 0 "[ . 1 . 2]" 1
809 1 47 LEU MD2 1 53 ALA HA . . 4.690 4.631 4.479 4.698 0.008 19 0 "[ . 1 . 2]" 1
810 1 47 LEU HG 1 48 LEU H . . 4.700 4.356 4.247 4.421 . 0 0 "[ . 1 . 2]" 1
811 1 47 LEU HG 1 53 ALA HA . . 4.420 4.310 4.142 4.414 . 0 0 "[ . 1 . 2]" 1
812 1 48 LEU H 1 48 LEU QB . . 3.120 2.191 2.168 2.230 . 0 0 "[ . 1 . 2]" 1
813 1 48 LEU H 1 48 LEU MD1 . . 4.480 4.220 4.114 4.303 . 0 0 "[ . 1 . 2]" 1
814 1 48 LEU H 1 48 LEU QD . . 3.920 3.734 3.698 3.764 . 0 0 "[ . 1 . 2]" 1
815 1 48 LEU H 1 48 LEU MD2 . . 4.480 4.166 4.043 4.226 . 0 0 "[ . 1 . 2]" 1
816 1 48 LEU H 1 48 LEU HG . . 4.490 4.320 4.227 4.447 . 0 0 "[ . 1 . 2]" 1
817 1 48 LEU H 1 49 ASN H . . 4.130 2.914 2.678 3.122 . 0 0 "[ . 1 . 2]" 1
818 1 48 LEU H 1 52 GLN HB2 . . 4.820 3.791 3.480 4.000 . 0 0 "[ . 1 . 2]" 1
819 1 48 LEU H 1 52 GLN HB3 . . 5.030 4.696 4.275 4.976 . 0 0 "[ . 1 . 2]" 1
820 1 48 LEU HA 1 48 LEU MD1 . . 4.140 2.255 1.990 2.509 . 0 0 "[ . 1 . 2]" 1
821 1 48 LEU HA 1 48 LEU QD . . 2.810 2.241 1.984 2.485 . 0 0 "[ . 1 . 2]" 1
822 1 48 LEU HA 1 48 LEU MD2 . . 4.140 3.953 3.886 4.004 . 0 0 "[ . 1 . 2]" 1
823 1 48 LEU HA 1 48 LEU HG . . 3.800 3.270 3.139 3.342 . 0 0 "[ . 1 . 2]" 1
824 1 48 LEU QB 1 48 LEU MD1 . . 3.230 2.248 2.084 2.368 . 0 0 "[ . 1 . 2]" 1
825 1 48 LEU QB 1 48 LEU QD . . 2.730 1.910 1.807 1.956 . 0 0 "[ . 1 . 2]" 1
826 1 48 LEU QB 1 48 LEU MD2 . . 3.230 2.069 1.981 2.100 . 0 0 "[ . 1 . 2]" 1
827 1 48 LEU QB 1 49 ASN H . . 3.940 2.146 2.007 2.276 . 0 0 "[ . 1 . 2]" 1
828 1 48 LEU QB 1 52 GLN HE21 . . 4.380 3.138 2.029 4.387 0.007 19 0 "[ . 1 . 2]" 1
829 1 48 LEU QB 1 52 GLN QE . . 3.840 2.357 1.799 2.971 . 0 0 "[ . 1 . 2]" 1
830 1 48 LEU QB 1 52 GLN HE22 . . 4.380 2.489 1.896 3.053 . 0 0 "[ . 1 . 2]" 1
831 1 48 LEU QB 1 52 GLN HG3 . . 4.620 4.084 2.904 4.653 0.033 19 0 "[ . 1 . 2]" 1
832 1 48 LEU QD 1 49 ASN QB . . 4.470 3.490 3.025 3.929 . 0 0 "[ . 1 . 2]" 1
833 1 48 LEU QD 1 49 ASN QD . . 3.460 2.468 2.018 3.285 . 0 0 "[ . 1 . 2]" 1
834 1 48 LEU QD 1 52 GLN QE . . 4.040 2.820 1.970 3.305 . 0 0 "[ . 1 . 2]" 1
835 1 48 LEU QD 1 52 GLN HG2 . . 5.400 5.063 4.029 5.379 . 0 0 "[ . 1 . 2]" 1
836 1 48 LEU QD 1 52 GLN HG3 . . 4.770 4.325 3.206 4.768 . 0 0 "[ . 1 . 2]" 1
837 1 48 LEU HG 1 49 ASN H . . 4.390 2.690 2.481 3.059 . 0 0 "[ . 1 . 2]" 1
838 1 48 LEU HG 1 49 ASN QB . . 3.640 3.060 2.700 3.640 . 16 0 "[ . 1 . 2]" 1
839 1 48 LEU HG 1 49 ASN HD21 . . 4.610 3.393 2.753 4.520 . 0 0 "[ . 1 . 2]" 1
840 1 48 LEU HG 1 49 ASN QD . . 3.920 3.015 2.280 3.830 . 0 0 "[ . 1 . 2]" 1
841 1 48 LEU HG 1 49 ASN HD22 . . 4.610 3.786 2.345 4.612 0.002 19 0 "[ . 1 . 2]" 1
842 1 49 ASN H 1 52 GLN HB2 . . 4.310 3.491 3.020 3.855 . 0 0 "[ . 1 . 2]" 1
843 1 49 ASN H 1 52 GLN HB3 . . 5.300 4.963 4.557 5.294 . 0 0 "[ . 1 . 2]" 1
844 1 49 ASN QB 1 49 ASN HD22 . . 3.670 3.253 3.214 3.405 . 0 0 "[ . 1 . 2]" 1
845 1 49 ASN QB 1 50 GLY H . . 4.460 2.028 1.926 2.150 . 0 0 "[ . 1 . 2]" 1
846 1 49 ASN QB 1 50 GLY HA2 . . 4.810 4.362 4.281 4.434 . 0 0 "[ . 1 . 2]" 1
847 1 49 ASN QB 1 50 GLY HA3 . . 4.760 4.089 3.899 4.153 . 0 0 "[ . 1 . 2]" 1
848 1 49 ASN QB 1 51 GLU H . . 4.050 2.583 2.306 2.728 . 0 0 "[ . 1 . 2]" 1
849 1 49 ASN QB 1 51 GLU QB . . 5.340 3.506 3.078 3.836 . 0 0 "[ . 1 . 2]" 1
850 1 49 ASN QB 1 51 GLU QG . . 4.650 3.335 2.600 4.318 . 0 0 "[ . 1 . 2]" 1
851 1 49 ASN QB 1 52 GLN H . . 4.760 3.736 2.894 4.115 . 0 0 "[ . 1 . 2]" 1
852 1 49 ASN QB 1 52 GLN HB2 . . 5.500 4.920 3.888 5.409 . 0 0 "[ . 1 . 2]" 1
853 1 49 ASN QD 1 51 GLU QB . . 4.070 3.353 1.910 4.054 . 0 0 "[ . 1 . 2]" 1
854 1 49 ASN QD 1 51 GLU QG . . 4.640 3.894 2.211 4.635 . 0 0 "[ . 1 . 2]" 1
855 1 49 ASN QD 1 52 GLN H . . 4.830 3.658 1.771 4.514 . 0 0 "[ . 1 . 2]" 1
856 1 49 ASN QD 1 52 GLN HB2 . . 5.340 4.559 3.147 5.336 . 0 0 "[ . 1 . 2]" 1
857 1 49 ASN QD 1 52 GLN HG2 . . 4.710 3.975 3.074 4.702 . 0 0 "[ . 1 . 2]" 1
858 1 49 ASN QD 1 52 GLN HG3 . . 4.440 2.756 1.847 3.543 . 0 0 "[ . 1 . 2]" 1
859 1 50 GLY H 1 51 GLU H . . 4.390 2.435 2.332 2.595 . 0 0 "[ . 1 . 2]" 1
860 1 50 GLY HA2 1 52 GLN H . . 4.670 4.326 4.190 4.450 . 0 0 "[ . 1 . 2]" 1
861 1 50 GLY HA2 1 53 ALA H . . 3.730 3.271 3.185 3.361 . 0 0 "[ . 1 . 2]" 1
862 1 50 GLY HA2 1 53 ALA MB . . 3.140 2.367 2.112 2.649 . 0 0 "[ . 1 . 2]" 1
863 1 50 GLY HA3 1 53 ALA H . . 4.650 4.543 4.461 4.644 . 0 0 "[ . 1 . 2]" 1
864 1 50 GLY HA3 1 53 ALA MB . . 3.900 3.709 3.526 3.901 0.001 4 0 "[ . 1 . 2]" 1
865 1 51 GLU H 1 51 GLU HB2 . . 3.600 2.643 2.206 3.525 . 0 0 "[ . 1 . 2]" 1
866 1 51 GLU H 1 51 GLU QB . . 3.100 2.407 2.166 2.541 . 0 0 "[ . 1 . 2]" 1
867 1 51 GLU H 1 51 GLU HB3 . . 3.600 3.375 2.187 3.594 . 0 0 "[ . 1 . 2]" 1
868 1 51 GLU H 1 51 GLU QG . . 3.540 2.426 2.012 3.321 . 0 0 "[ . 1 . 2]" 1
869 1 51 GLU HA 1 51 GLU QG . . 3.150 2.632 2.326 3.261 0.111 17 0 "[ . 1 . 2]" 1
870 1 51 GLU HA 1 53 ALA MB . . 5.500 4.884 4.691 5.028 . 0 0 "[ . 1 . 2]" 1
871 1 51 GLU HA 1 54 GLU H . . 4.090 3.649 3.464 3.800 . 0 0 "[ . 1 . 2]" 1
872 1 51 GLU HA 1 54 GLU QB . . 3.420 2.970 2.739 3.131 . 0 0 "[ . 1 . 2]" 1
873 1 52 GLN H 1 52 GLN HB2 . . 3.210 2.537 2.439 2.628 . 0 0 "[ . 1 . 2]" 1
874 1 52 GLN H 1 52 GLN HB3 . . 3.780 3.593 3.586 3.601 . 0 0 "[ . 1 . 2]" 1
875 1 52 GLN H 1 52 GLN HG2 . . 3.730 3.310 2.966 3.685 . 0 0 "[ . 1 . 2]" 1
876 1 52 GLN H 1 52 GLN HG3 . . 3.530 2.162 1.962 2.318 . 0 0 "[ . 1 . 2]" 1
877 1 52 GLN H 1 53 ALA H . . 3.130 2.602 2.527 2.681 . 0 0 "[ . 1 . 2]" 1
878 1 52 GLN H 1 53 ALA MB . . 4.420 4.227 4.176 4.290 . 0 0 "[ . 1 . 2]" 1
879 1 52 GLN HA 1 52 GLN HG2 . . 3.390 2.594 2.427 2.871 . 0 0 "[ . 1 . 2]" 1
880 1 52 GLN HA 1 52 GLN HG3 . . 3.830 3.128 2.725 3.381 . 0 0 "[ . 1 . 2]" 1
881 1 52 GLN HA 1 53 ALA HA . . 4.980 4.791 4.769 4.814 . 0 0 "[ . 1 . 2]" 1
882 1 52 GLN HA 1 53 ALA MB . . 5.500 5.004 4.988 5.016 . 0 0 "[ . 1 . 2]" 1
883 1 52 GLN HA 1 55 ALA H . . 4.070 3.598 3.514 3.717 . 0 0 "[ . 1 . 2]" 1
884 1 52 GLN HA 1 55 ALA MB . . 3.380 2.755 2.461 2.988 . 0 0 "[ . 1 . 2]" 1
885 1 52 GLN HA 1 56 ALA MB . . 4.890 4.482 4.251 4.636 . 0 0 "[ . 1 . 2]" 1
886 1 52 GLN HB2 1 53 ALA H . . 3.360 2.739 2.592 2.867 . 0 0 "[ . 1 . 2]" 1
887 1 52 GLN HB3 1 53 ALA H . . 3.990 3.807 3.677 3.886 . 0 0 "[ . 1 . 2]" 1
888 1 52 GLN HB3 1 53 ALA MB . . 5.070 4.958 4.827 5.057 . 0 0 "[ . 1 . 2]" 1
889 1 52 GLN QE 1 52 GLN HG2 . . 3.440 2.790 2.099 3.349 . 0 0 "[ . 1 . 2]" 1
890 1 52 GLN HG3 1 53 ALA H . . 4.400 4.245 4.053 4.400 0.000 13 0 "[ . 1 . 2]" 1
891 1 53 ALA H 1 53 ALA MB . . 2.790 2.139 2.087 2.204 . 0 0 "[ . 1 . 2]" 1
892 1 53 ALA H 1 54 GLU H . . 3.260 2.688 2.629 2.752 . 0 0 "[ . 1 . 2]" 1
893 1 53 ALA H 1 55 ALA H . . 4.220 4.182 4.121 4.222 0.002 19 0 "[ . 1 . 2]" 1
894 1 53 ALA H 1 55 ALA MB . . 4.950 4.824 4.680 4.912 . 0 0 "[ . 1 . 2]" 1
895 1 53 ALA HA 1 55 ALA H . . 4.650 4.602 4.555 4.649 . 0 0 "[ . 1 . 2]" 1
896 1 53 ALA HA 1 56 ALA H . . 3.920 3.656 3.590 3.779 . 0 0 "[ . 1 . 2]" 1
897 1 53 ALA HA 1 56 ALA MB . . 3.310 2.812 2.678 3.108 . 0 0 "[ . 1 . 2]" 1
898 1 53 ALA HA 1 57 ILE HG13 . . 4.740 3.749 3.639 3.856 . 0 0 "[ . 1 . 2]" 1
899 1 53 ALA MB 1 54 GLU H . . 3.180 2.552 2.485 2.610 . 0 0 "[ . 1 . 2]" 1
900 1 53 ALA MB 1 54 GLU HA . . 4.200 3.772 3.732 3.806 . 0 0 "[ . 1 . 2]" 1
901 1 53 ALA MB 1 55 ALA H . . 4.600 4.571 4.523 4.600 . 0 0 "[ . 1 . 2]" 1
902 1 54 GLU H 1 54 GLU QB . . 2.920 2.210 2.194 2.219 . 0 0 "[ . 1 . 2]" 1
903 1 54 GLU H 1 54 GLU HG2 . . 4.660 4.336 4.288 4.368 . 0 0 "[ . 1 . 2]" 1
904 1 54 GLU H 1 55 ALA H . . 3.060 2.707 2.630 2.754 . 0 0 "[ . 1 . 2]" 1
905 1 54 GLU H 1 55 ALA MB . . 4.550 4.304 4.181 4.395 . 0 0 "[ . 1 . 2]" 1
906 1 54 GLU H 1 57 ILE MD . . 4.170 4.138 4.052 4.175 0.005 6 0 "[ . 1 . 2]" 1
907 1 54 GLU HA 1 54 GLU HG2 . . 3.730 3.595 3.577 3.627 . 0 0 "[ . 1 . 2]" 1
908 1 54 GLU HA 1 54 GLU HG3 . . 3.700 2.611 2.592 2.643 . 0 0 "[ . 1 . 2]" 1
909 1 54 GLU HA 1 57 ILE HB . . 3.300 2.700 2.628 2.763 . 0 0 "[ . 1 . 2]" 1
910 1 54 GLU HA 1 57 ILE MD . . 3.180 2.862 2.639 3.083 . 0 0 "[ . 1 . 2]" 1
911 1 54 GLU HA 1 57 ILE HG12 . . 5.300 5.199 5.130 5.267 . 0 0 "[ . 1 . 2]" 1
912 1 54 GLU HA 1 57 ILE HG13 . . 4.200 4.139 4.002 4.200 . 3 0 "[ . 1 . 2]" 1
913 1 54 GLU HA 1 57 ILE MG . . 4.100 4.021 3.925 4.100 0.000 1 0 "[ . 1 . 2]" 1
914 1 54 GLU QB 1 55 ALA H . . 3.080 2.563 2.523 2.626 . 0 0 "[ . 1 . 2]" 1
915 1 54 GLU HG2 1 55 ALA H . . 4.030 3.364 3.328 3.399 . 0 0 "[ . 1 . 2]" 1
916 1 54 GLU HG2 1 58 ASN HD21 . . 4.760 3.628 3.516 3.695 . 0 0 "[ . 1 . 2]" 1
917 1 54 GLU HG2 1 58 ASN HD22 . . 5.150 5.123 5.054 5.153 0.003 19 0 "[ . 1 . 2]" 1
918 1 54 GLU HG3 1 55 ALA H . . 4.410 4.097 4.068 4.127 . 0 0 "[ . 1 . 2]" 1
919 1 54 GLU HG3 1 55 ALA HA . . 4.510 4.223 4.157 4.263 . 0 0 "[ . 1 . 2]" 1
920 1 54 GLU HG3 1 58 ASN H . . 4.270 4.113 4.028 4.189 . 0 0 "[ . 1 . 2]" 1
921 1 54 GLU HG3 1 58 ASN HD21 . . 4.510 3.655 3.541 3.720 . 0 0 "[ . 1 . 2]" 1
922 1 54 GLU HG3 1 58 ASN HD22 . . 4.920 4.911 4.863 4.926 0.006 6 0 "[ . 1 . 2]" 1
923 1 55 ALA H 1 55 ALA MB . . 2.670 2.106 2.025 2.234 . 0 0 "[ . 1 . 2]" 1
924 1 55 ALA H 1 56 ALA H . . 3.110 2.732 2.712 2.762 . 0 0 "[ . 1 . 2]" 1
925 1 55 ALA H 1 56 ALA MB . . 4.470 4.353 4.304 4.411 . 0 0 "[ . 1 . 2]" 1
926 1 55 ALA HA 1 57 ILE H . . 5.200 4.590 4.554 4.629 . 0 0 "[ . 1 . 2]" 1
927 1 55 ALA HA 1 58 ASN H . . 4.370 3.631 3.594 3.680 . 0 0 "[ . 1 . 2]" 1
928 1 55 ALA HA 1 58 ASN HB2 . . 3.630 3.031 2.971 3.061 . 0 0 "[ . 1 . 2]" 1
929 1 55 ALA HA 1 58 ASN HB3 . . 3.440 3.228 3.150 3.321 . 0 0 "[ . 1 . 2]" 1
930 1 55 ALA HA 1 58 ASN HD21 . . 4.450 3.829 3.745 3.868 . 0 0 "[ . 1 . 2]" 1
931 1 55 ALA HA 1 58 ASN HD22 . . 5.500 5.484 5.414 5.505 0.005 18 0 "[ . 1 . 2]" 1
932 1 55 ALA HA 1 59 THR H . . 5.500 4.276 4.160 4.387 . 0 0 "[ . 1 . 2]" 1
933 1 55 ALA MB 1 56 ALA H . . 3.110 2.552 2.445 2.642 . 0 0 "[ . 1 . 2]" 1
934 1 55 ALA MB 1 57 ILE H . . 4.670 4.555 4.518 4.598 . 0 0 "[ . 1 . 2]" 1
935 1 55 ALA MB 1 58 ASN HB2 . . 4.730 4.581 4.529 4.609 . 0 0 "[ . 1 . 2]" 1
936 1 55 ALA MB 1 58 ASN HB3 . . 4.810 4.535 4.472 4.610 . 0 0 "[ . 1 . 2]" 1
937 1 56 ALA H 1 56 ALA MB . . 2.990 2.135 2.043 2.239 . 0 0 "[ . 1 . 2]" 1
938 1 56 ALA H 1 57 ILE H . . 3.550 2.650 2.613 2.682 . 0 0 "[ . 1 . 2]" 1
939 1 56 ALA HA 1 59 THR H . . 4.650 3.756 3.702 3.793 . 0 0 "[ . 1 . 2]" 1
940 1 56 ALA HA 1 59 THR HB . . 3.760 3.447 3.295 3.545 . 0 0 "[ . 1 . 2]" 1
941 1 56 ALA HA 1 60 PHE QD . . 4.060 4.048 3.996 4.065 0.005 16 0 "[ . 1 . 2]" 1
942 1 56 ALA HA 1 60 PHE QE . . 4.350 3.634 3.503 3.715 . 0 0 "[ . 1 . 2]" 1
943 1 56 ALA MB 1 57 ILE H . . 3.490 2.578 2.487 2.655 . 0 0 "[ . 1 . 2]" 1
944 1 56 ALA MB 1 57 ILE HA . . 4.520 3.773 3.691 3.833 . 0 0 "[ . 1 . 2]" 1
945 1 56 ALA MB 1 60 PHE QD . . 3.800 2.824 2.640 3.084 . 0 0 "[ . 1 . 2]" 1
946 1 56 ALA MB 1 60 PHE QE . . 3.930 2.141 1.966 2.397 . 0 0 "[ . 1 . 2]" 1
947 1 57 ILE H 1 57 ILE HB . . 3.120 2.432 2.400 2.461 . 0 0 "[ . 1 . 2]" 1
948 1 57 ILE H 1 57 ILE MD . . 3.790 3.458 3.375 3.527 . 0 0 "[ . 1 . 2]" 1
949 1 57 ILE H 1 57 ILE HG12 . . 3.770 3.686 3.592 3.738 . 0 0 "[ . 1 . 2]" 1
950 1 57 ILE H 1 57 ILE HG13 . . 3.340 2.322 2.256 2.385 . 0 0 "[ . 1 . 2]" 1
951 1 57 ILE H 1 57 ILE MG . . 3.770 3.745 3.735 3.754 . 0 0 "[ . 1 . 2]" 1
952 1 57 ILE H 1 58 ASN HB2 . . 4.800 4.584 4.571 4.599 . 0 0 "[ . 1 . 2]" 1
953 1 57 ILE HA 1 57 ILE MD . . 3.920 3.836 3.818 3.853 . 0 0 "[ . 1 . 2]" 1
954 1 57 ILE HA 1 57 ILE HG12 . . 3.260 2.590 2.539 2.660 . 0 0 "[ . 1 . 2]" 1
955 1 57 ILE HA 1 57 ILE HG13 . . 3.590 2.779 2.722 2.866 . 0 0 "[ . 1 . 2]" 1
956 1 57 ILE HA 1 57 ILE MG . . 2.980 2.477 2.447 2.507 . 0 0 "[ . 1 . 2]" 1
957 1 57 ILE HA 1 60 PHE H . . 4.370 3.565 3.525 3.615 . 0 0 "[ . 1 . 2]" 1
958 1 57 ILE HA 1 60 PHE HB3 . . 4.410 4.143 4.040 4.232 . 0 0 "[ . 1 . 2]" 1
959 1 57 ILE HA 1 60 PHE QD . . 5.160 3.450 3.185 3.649 . 0 0 "[ . 1 . 2]" 1
960 1 57 ILE HA 1 61 HIS H . . 4.560 3.487 3.386 3.602 . 0 0 "[ . 1 . 2]" 1
961 1 57 ILE HA 1 72 VAL HB . . 4.050 3.797 3.503 3.944 . 0 0 "[ . 1 . 2]" 1
962 1 57 ILE HA 1 72 VAL MG1 . . 3.350 2.195 1.977 2.698 . 0 0 "[ . 1 . 2]" 1
963 1 57 ILE HA 1 72 VAL MG2 . . 4.300 3.946 3.644 4.201 . 0 0 "[ . 1 . 2]" 1
964 1 57 ILE HB 1 57 ILE MD . . 3.040 2.337 2.221 2.414 . 0 0 "[ . 1 . 2]" 1
965 1 57 ILE HB 1 58 ASN H . . 3.430 2.674 2.650 2.695 . 0 0 "[ . 1 . 2]" 1
966 1 57 ILE HB 1 58 ASN HA . . 4.670 4.322 4.289 4.364 . 0 0 "[ . 1 . 2]" 1
967 1 57 ILE MD 1 73 GLN HA . . 3.850 3.565 3.186 3.848 . 0 0 "[ . 1 . 2]" 1
968 1 57 ILE MD 1 74 LEU H . . 3.580 3.255 2.685 3.519 . 0 0 "[ . 1 . 2]" 1
969 1 57 ILE MD 1 74 LEU HA . . 3.610 2.370 2.009 2.667 . 0 0 "[ . 1 . 2]" 1
970 1 57 ILE MD 1 74 LEU QB . . 3.740 3.546 3.178 3.734 . 0 0 "[ . 1 . 2]" 1
971 1 57 ILE MD 1 75 GLN H . . 4.200 3.857 3.379 4.200 0.000 14 0 "[ . 1 . 2]" 1
972 1 57 ILE HG12 1 73 GLN HA . . 4.650 4.339 4.024 4.590 . 0 0 "[ . 1 . 2]" 1
973 1 57 ILE HG13 1 58 ASN H . . 5.090 4.382 4.330 4.431 . 0 0 "[ . 1 . 2]" 1
974 1 57 ILE MG 1 58 ASN H . . 3.670 3.304 3.247 3.360 . 0 0 "[ . 1 . 2]" 1
975 1 57 ILE MG 1 58 ASN HA . . 3.570 3.246 3.181 3.308 . 0 0 "[ . 1 . 2]" 1
976 1 57 ILE MG 1 58 ASN HB2 . . 4.630 4.493 4.423 4.568 . 0 0 "[ . 1 . 2]" 1
977 1 57 ILE MG 1 58 ASN HB3 . . 5.420 5.329 5.270 5.380 . 0 0 "[ . 1 . 2]" 1
978 1 57 ILE MG 1 59 THR H . . 4.980 4.922 4.876 4.962 . 0 0 "[ . 1 . 2]" 1
979 1 57 ILE MG 1 61 HIS HA . . 4.310 4.194 4.099 4.314 0.004 6 0 "[ . 1 . 2]" 1
980 1 57 ILE MG 1 61 HIS HB2 . . 3.760 2.540 2.446 2.625 . 0 0 "[ . 1 . 2]" 1
981 1 57 ILE MG 1 61 HIS HB3 . . 3.760 3.377 3.253 3.492 . 0 0 "[ . 1 . 2]" 1
982 1 57 ILE MG 1 61 HIS HD2 . . 4.940 4.708 4.334 4.937 . 0 0 "[ . 1 . 2]" 1
983 1 57 ILE MG 1 73 GLN HA . . 3.750 2.861 2.369 3.302 . 0 0 "[ . 1 . 2]" 1
984 1 57 ILE MG 1 74 LEU H . . 4.330 3.764 3.223 4.226 . 0 0 "[ . 1 . 2]" 1
985 1 58 ASN H 1 58 ASN HB2 . . 3.200 2.195 2.189 2.202 . 0 0 "[ . 1 . 2]" 1
986 1 58 ASN H 1 58 ASN HB3 . . 3.250 2.930 2.920 2.940 . 0 0 "[ . 1 . 2]" 1
987 1 58 ASN HA 1 58 ASN HD22 . . 5.260 4.362 4.305 4.407 . 0 0 "[ . 1 . 2]" 1
988 1 58 ASN HB2 1 58 ASN HD21 . . 3.550 2.269 2.205 2.334 . 0 0 "[ . 1 . 2]" 1
989 1 58 ASN HB2 1 58 ASN HD22 . . 3.900 3.493 3.468 3.519 . 0 0 "[ . 1 . 2]" 1
990 1 58 ASN HB2 1 59 THR H . . 3.560 3.521 3.497 3.562 0.002 18 0 "[ . 1 . 2]" 1
991 1 58 ASN HB3 1 58 ASN HD22 . . 4.070 3.753 3.711 3.799 . 0 0 "[ . 1 . 2]" 1
992 1 58 ASN HB3 1 59 THR H . . 3.430 2.522 2.473 2.621 . 0 0 "[ . 1 . 2]" 1
993 1 58 ASN HB3 1 59 THR HA . . 4.290 4.014 4.001 4.025 . 0 0 "[ . 1 . 2]" 1
994 1 59 THR H 1 59 THR HB . . 3.360 2.570 2.514 2.629 . 0 0 "[ . 1 . 2]" 1
995 1 59 THR H 1 59 THR MG . . 4.070 3.783 3.778 3.788 . 0 0 "[ . 1 . 2]" 1
996 1 59 THR H 1 60 PHE H . . 3.670 2.541 2.522 2.562 . 0 0 "[ . 1 . 2]" 1
997 1 59 THR HA 1 59 THR MG . . 3.290 2.339 2.224 2.436 . 0 0 "[ . 1 . 2]" 1
998 1 59 THR HA 1 60 PHE QD . . 5.070 4.854 4.693 5.008 . 0 0 "[ . 1 . 2]" 1
999 1 59 THR HB 1 60 PHE H . . 3.730 2.421 2.404 2.445 . 0 0 "[ . 1 . 2]" 1
1000 1 59 THR HB 1 60 PHE QD . . 4.370 3.040 2.788 3.285 . 0 0 "[ . 1 . 2]" 1
1001 1 59 THR MG 1 60 PHE QD . . 4.640 2.933 2.595 3.152 . 0 0 "[ . 1 . 2]" 1
1002 1 60 PHE H 1 60 PHE HB2 . . 3.960 2.558 2.529 2.602 . 0 0 "[ . 1 . 2]" 1
1003 1 60 PHE H 1 60 PHE HB3 . . 3.720 3.591 3.589 3.592 . 0 0 "[ . 1 . 2]" 1
1004 1 60 PHE H 1 60 PHE QD . . 4.360 2.629 2.464 2.797 . 0 0 "[ . 1 . 2]" 1
1005 1 60 PHE H 1 61 HIS H . . 3.920 2.644 2.605 2.686 . 0 0 "[ . 1 . 2]" 1
1006 1 60 PHE HB2 1 61 HIS H . . 5.180 2.913 2.760 3.030 . 0 0 "[ . 1 . 2]" 1
1007 1 60 PHE HB2 1 61 HIS HB2 . . 5.310 4.559 4.477 4.704 . 0 0 "[ . 1 . 2]" 1
1008 1 60 PHE HB2 1 61 HIS QB . . 4.470 4.233 4.166 4.307 . 0 0 "[ . 1 . 2]" 1
1009 1 60 PHE HB2 1 61 HIS HB3 . . 5.310 5.024 4.894 5.132 . 0 0 "[ . 1 . 2]" 1
1010 1 60 PHE HB2 1 72 VAL MG1 . . 4.170 2.559 2.115 2.923 . 0 0 "[ . 1 . 2]" 1
1011 1 60 PHE HB2 1 72 VAL MG2 . . 3.520 2.650 2.310 3.013 . 0 0 "[ . 1 . 2]" 1
1012 1 60 PHE HB3 1 61 HIS H . . 5.060 3.937 3.795 4.053 . 0 0 "[ . 1 . 2]" 1
1013 1 60 PHE HB3 1 72 VAL MG1 . . 4.080 3.177 2.747 3.737 . 0 0 "[ . 1 . 2]" 1
1014 1 60 PHE HB3 1 72 VAL MG2 . . 3.520 2.205 1.977 2.794 . 0 0 "[ . 1 . 2]" 1
1015 1 60 PHE QD 1 63 SER HB2 . . 5.500 5.373 5.209 5.506 0.006 4 0 "[ . 1 . 2]" 1
1016 1 60 PHE QD 1 63 SER HB3 . . 4.800 4.739 4.620 4.806 0.006 4 0 "[ . 1 . 2]" 1
1017 1 60 PHE QD 1 72 VAL MG1 . . 4.640 3.205 2.814 3.551 . 0 0 "[ . 1 . 2]" 1
1018 1 61 HIS H 1 61 HIS HB2 . . 3.930 2.749 2.661 2.874 . 0 0 "[ . 1 . 2]" 1
1019 1 61 HIS H 1 61 HIS QB . . 3.450 2.224 2.181 2.244 . 0 0 "[ . 1 . 2]" 1
1020 1 61 HIS H 1 61 HIS HB3 . . 3.930 2.352 2.260 2.416 . 0 0 "[ . 1 . 2]" 1
1021 1 61 HIS H 1 62 GLN H . . 5.020 4.621 4.602 4.635 . 0 0 "[ . 1 . 2]" 1
1022 1 61 HIS HA 1 61 HIS HD2 . . 5.150 4.263 2.996 4.816 . 0 0 "[ . 1 . 2]" 1
1023 1 61 HIS HA 1 62 GLN H . . 3.110 2.397 2.332 2.466 . 0 0 "[ . 1 . 2]" 1
1024 1 61 HIS HA 1 62 GLN QG . . 5.180 4.110 3.888 4.335 . 0 0 "[ . 1 . 2]" 1
1025 1 61 HIS HA 1 71 SER HA . . 4.530 4.479 4.315 4.534 0.004 18 0 "[ . 1 . 2]" 1
1026 1 61 HIS HA 1 72 VAL HB . . 3.880 2.367 2.017 2.697 . 0 0 "[ . 1 . 2]" 1
1027 1 61 HIS HA 1 72 VAL MG2 . . 3.270 2.386 2.059 2.782 . 0 0 "[ . 1 . 2]" 1
1028 1 61 HIS HB2 1 62 GLN H . . 4.790 3.677 3.497 3.810 . 0 0 "[ . 1 . 2]" 1
1029 1 61 HIS HB2 1 72 VAL HB . . 4.180 2.571 2.265 2.738 . 0 0 "[ . 1 . 2]" 1
1030 1 61 HIS HB3 1 62 GLN H . . 4.790 3.748 3.616 3.872 . 0 0 "[ . 1 . 2]" 1
1031 1 61 HIS HB3 1 72 VAL HB . . 4.180 4.101 3.847 4.184 0.004 4 0 "[ . 1 . 2]" 1
1032 1 61 HIS HD2 1 62 GLN H . . 4.800 3.599 2.479 4.315 . 0 0 "[ . 1 . 2]" 1
1033 1 61 HIS HD2 1 62 GLN QB . . 4.830 3.627 2.972 4.751 . 0 0 "[ . 1 . 2]" 1
1034 1 61 HIS HD2 1 62 GLN QG . . 4.500 3.273 2.230 4.543 0.043 7 0 "[ . 1 . 2]" 1
1035 1 61 HIS HE1 1 62 GLN HA . . 4.580 4.464 4.215 4.606 0.026 7 0 "[ . 1 . 2]" 1
1036 1 61 HIS HE1 1 62 GLN QB . . 4.610 3.538 2.370 4.226 . 0 0 "[ . 1 . 2]" 1
1037 1 61 HIS HE1 1 62 GLN QG . . 5.340 4.639 2.732 5.340 . 18 0 "[ . 1 . 2]" 1
1038 1 62 GLN H 1 62 GLN HG2 . . 4.660 3.528 2.975 4.396 . 0 0 "[ . 1 . 2]" 1
1039 1 62 GLN H 1 62 GLN QG . . 3.950 3.206 2.896 3.516 . 0 0 "[ . 1 . 2]" 1
1040 1 62 GLN H 1 62 GLN HG3 . . 4.660 3.970 3.125 4.291 . 0 0 "[ . 1 . 2]" 1
1041 1 62 GLN H 1 63 SER H . . 3.380 2.860 2.784 2.986 . 0 0 "[ . 1 . 2]" 1
1042 1 62 GLN H 1 63 SER HB3 . . 5.230 5.028 4.953 5.158 . 0 0 "[ . 1 . 2]" 1
1043 1 62 GLN H 1 71 SER HA . . 4.360 4.228 3.847 4.361 0.001 13 0 "[ . 1 . 2]" 1
1044 1 62 GLN H 1 72 VAL MG2 . . 4.300 4.055 3.778 4.270 . 0 0 "[ . 1 . 2]" 1
1045 1 62 GLN QG 1 63 SER H . . 4.030 3.718 3.594 4.031 0.001 7 0 "[ . 1 . 2]" 1
1046 1 63 SER H 1 63 SER HB2 . . 4.050 3.692 3.669 3.736 . 0 0 "[ . 1 . 2]" 1
1047 1 63 SER H 1 63 SER HB3 . . 3.550 2.682 2.608 2.795 . 0 0 "[ . 1 . 2]" 1
1048 1 63 SER HA 1 64 ARG H . . 3.390 2.511 2.434 2.598 . 0 0 "[ . 1 . 2]" 1
1049 1 63 SER HB2 1 64 ARG H . . 3.530 2.323 2.115 2.493 . 0 0 "[ . 1 . 2]" 1
1050 1 63 SER HB3 1 64 ARG H . . 3.910 3.773 3.626 3.892 . 0 0 "[ . 1 . 2]" 1
1051 1 64 ARG H 1 64 ARG HB2 . . 3.430 2.721 2.615 2.790 . 0 0 "[ . 1 . 2]" 1
1052 1 64 ARG H 1 64 ARG HB3 . . 4.060 3.810 3.735 3.863 . 0 0 "[ . 1 . 2]" 1
1053 1 64 ARG H 1 64 ARG HG2 . . 4.640 4.147 3.944 4.438 . 0 0 "[ . 1 . 2]" 1
1054 1 64 ARG H 1 64 ARG QG . . 3.850 3.270 3.128 3.492 . 0 0 "[ . 1 . 2]" 1
1055 1 64 ARG H 1 64 ARG HG3 . . 4.640 3.430 3.239 3.653 . 0 0 "[ . 1 . 2]" 1
1056 1 64 ARG H 1 65 LEU H . . 4.640 4.394 4.360 4.436 . 0 0 "[ . 1 . 2]" 1
1057 1 64 ARG HA 1 64 ARG HD2 . . 4.790 4.344 4.074 4.709 . 0 0 "[ . 1 . 2]" 1
1058 1 64 ARG HA 1 64 ARG QD . . 4.100 3.866 3.651 4.011 . 0 0 "[ . 1 . 2]" 1
1059 1 64 ARG HA 1 64 ARG HD3 . . 4.790 4.430 3.901 4.744 . 0 0 "[ . 1 . 2]" 1
1060 1 64 ARG HA 1 64 ARG HG2 . . 3.850 2.394 2.283 2.524 . 0 0 "[ . 1 . 2]" 1
1061 1 64 ARG HA 1 64 ARG QG . . 3.340 2.320 2.225 2.409 . 0 0 "[ . 1 . 2]" 1
1062 1 64 ARG HA 1 64 ARG HG3 . . 3.850 3.141 2.889 3.330 . 0 0 "[ . 1 . 2]" 1
1063 1 64 ARG HA 1 65 LEU H . . 3.500 2.279 2.227 2.324 . 0 0 "[ . 1 . 2]" 1
1064 1 64 ARG HA 1 65 LEU HB2 . . 4.840 4.559 4.412 4.642 . 0 0 "[ . 1 . 2]" 1
1065 1 64 ARG HA 1 69 GLU HA . . 3.820 3.083 2.831 3.456 . 0 0 "[ . 1 . 2]" 1
1066 1 64 ARG HA 1 70 LEU H . . 4.320 2.861 2.643 3.207 . 0 0 "[ . 1 . 2]" 1
1067 1 64 ARG HA 1 70 LEU HB2 . . 4.900 3.599 3.265 3.879 . 0 0 "[ . 1 . 2]" 1
1068 1 64 ARG HA 1 70 LEU MD1 . . 4.830 2.566 2.133 3.026 . 0 0 "[ . 1 . 2]" 1
1069 1 64 ARG HA 1 70 LEU HG . . 4.180 2.920 2.445 3.336 . 0 0 "[ . 1 . 2]" 1
1070 1 64 ARG HB2 1 64 ARG HD2 . . 3.870 2.913 2.651 3.191 . 0 0 "[ . 1 . 2]" 1
1071 1 64 ARG HB2 1 64 ARG QD . . 3.360 2.792 2.570 3.037 . 0 0 "[ . 1 . 2]" 1
1072 1 64 ARG HB2 1 64 ARG HD3 . . 3.870 3.631 2.998 3.844 . 0 0 "[ . 1 . 2]" 1
1073 1 64 ARG HB2 1 65 LEU H . . 4.270 3.952 3.849 4.085 . 0 0 "[ . 1 . 2]" 1
1074 1 64 ARG HB2 1 67 GLU H . . 5.500 5.289 5.099 5.505 0.005 14 0 "[ . 1 . 2]" 1
1075 1 64 ARG HB2 1 67 GLU HA . . 5.500 5.309 5.181 5.459 . 0 0 "[ . 1 . 2]" 1
1076 1 64 ARG HB3 1 64 ARG QD . . 3.720 2.273 2.084 2.385 . 0 0 "[ . 1 . 2]" 1
1077 1 64 ARG HB3 1 65 LEU H . . 4.120 2.764 2.627 2.920 . 0 0 "[ . 1 . 2]" 1
1078 1 64 ARG HB3 1 67 GLU H . . 4.780 4.071 3.907 4.268 . 0 0 "[ . 1 . 2]" 1
1079 1 64 ARG HB3 1 67 GLU HA . . 4.020 3.914 3.843 4.027 0.007 18 0 "[ . 1 . 2]" 1
1080 1 64 ARG HB3 1 68 ARG H . . 4.380 3.004 2.807 3.245 . 0 0 "[ . 1 . 2]" 1
1081 1 64 ARG QD 1 67 GLU HA . . 4.090 3.868 3.542 4.035 . 0 0 "[ . 1 . 2]" 1
1082 1 64 ARG QD 1 69 GLU HA . . 4.210 3.760 3.143 4.129 . 0 0 "[ . 1 . 2]" 1
1083 1 64 ARG HD2 1 69 GLU HA . . 4.960 4.636 4.321 4.959 . 0 0 "[ . 1 . 2]" 1
1084 1 64 ARG HD3 1 69 GLU HA . . 4.960 4.023 3.198 4.511 . 0 0 "[ . 1 . 2]" 1
1085 1 64 ARG QG 1 65 LEU H . . 4.600 3.820 3.492 3.951 . 0 0 "[ . 1 . 2]" 1
1086 1 64 ARG QG 1 69 GLU HA . . 3.480 2.345 2.069 2.597 . 0 0 "[ . 1 . 2]" 1
1087 1 64 ARG HG2 1 69 GLU HA . . 4.150 2.365 2.097 2.626 . 0 0 "[ . 1 . 2]" 1
1088 1 64 ARG HG3 1 69 GLU HA . . 4.150 3.905 3.174 4.147 . 0 0 "[ . 1 . 2]" 1
1089 1 65 LEU H 1 65 LEU HB3 . . 3.960 2.732 2.656 2.844 . 0 0 "[ . 1 . 2]" 1
1090 1 65 LEU H 1 65 LEU MD2 . . 4.930 4.530 4.415 4.696 . 0 0 "[ . 1 . 2]" 1
1091 1 65 LEU H 1 65 LEU HG . . 5.010 4.333 4.238 4.494 . 0 0 "[ . 1 . 2]" 1
1092 1 65 LEU H 1 68 ARG H . . 3.480 2.493 2.245 2.874 . 0 0 "[ . 1 . 2]" 1
1093 1 65 LEU H 1 68 ARG HG3 . . 3.880 2.209 1.959 2.419 . 0 0 "[ . 1 . 2]" 1
1094 1 65 LEU HA 1 65 LEU MD1 . . 2.980 2.290 2.037 2.560 . 0 0 "[ . 1 . 2]" 1
1095 1 65 LEU HA 1 65 LEU MD2 . . 4.280 3.964 3.886 4.007 . 0 0 "[ . 1 . 2]" 1
1096 1 65 LEU HA 1 65 LEU HG . . 3.770 3.221 3.122 3.289 . 0 0 "[ . 1 . 2]" 1
1097 1 65 LEU HA 1 66 ARG QG . . 4.860 4.146 3.746 4.476 . 0 0 "[ . 1 . 2]" 1
1098 1 65 LEU HB2 1 65 LEU MD1 . . 3.600 2.256 2.118 2.395 . 0 0 "[ . 1 . 2]" 1
1099 1 65 LEU HB2 1 70 LEU MD2 . . 3.620 3.426 3.093 3.588 . 0 0 "[ . 1 . 2]" 1
1100 1 65 LEU HB3 1 65 LEU MD2 . . 3.240 2.220 2.057 2.372 . 0 0 "[ . 1 . 2]" 1
1101 1 65 LEU HB3 1 70 LEU MD2 . . 3.640 2.472 2.054 2.788 . 0 0 "[ . 1 . 2]" 1
1102 1 65 LEU MD1 1 66 ARG H . . 4.440 2.411 1.908 3.042 . 0 0 "[ . 1 . 2]" 1
1103 1 65 LEU MD1 1 66 ARG QB . . 4.550 3.554 3.095 3.929 . 0 0 "[ . 1 . 2]" 1
1104 1 65 LEU MD2 1 66 ARG QB . . 4.440 3.812 3.587 4.081 . 0 0 "[ . 1 . 2]" 1
1105 1 65 LEU HG 1 66 ARG H . . 4.710 3.043 2.476 3.431 . 0 0 "[ . 1 . 2]" 1
1106 1 65 LEU HG 1 66 ARG HA . . 5.070 4.291 3.938 4.548 . 0 0 "[ . 1 . 2]" 1
1107 1 65 LEU HG 1 66 ARG QB . . 4.000 2.611 2.418 2.878 . 0 0 "[ . 1 . 2]" 1
1108 1 66 ARG H 1 66 ARG QG . . 4.230 2.675 2.337 3.338 . 0 0 "[ . 1 . 2]" 1
1109 1 66 ARG H 1 67 GLU H . . 4.280 2.880 2.745 3.006 . 0 0 "[ . 1 . 2]" 1
1110 1 66 ARG HA 1 66 ARG QG . . 3.570 2.579 2.266 3.342 . 0 0 "[ . 1 . 2]" 1
1111 1 66 ARG HA 1 67 GLU H . . 3.500 2.774 2.621 2.843 . 0 0 "[ . 1 . 2]" 1
1112 1 66 ARG QB 1 66 ARG HD2 . . 3.620 2.690 2.129 3.355 . 0 0 "[ . 1 . 2]" 1
1113 1 66 ARG QB 1 66 ARG QD . . 3.160 2.229 2.053 2.545 . 0 0 "[ . 1 . 2]" 1
1114 1 66 ARG QB 1 66 ARG HD3 . . 3.620 2.623 2.132 3.409 . 0 0 "[ . 1 . 2]" 1
1115 1 66 ARG QB 1 67 GLU H . . 4.030 3.872 3.833 4.049 0.019 14 0 "[ . 1 . 2]" 1
1116 1 67 GLU H 1 67 GLU HG2 . . 4.330 3.339 2.656 4.279 . 0 0 "[ . 1 . 2]" 1
1117 1 67 GLU H 1 67 GLU QG . . 3.680 2.763 2.630 3.405 . 0 0 "[ . 1 . 2]" 1
1118 1 67 GLU H 1 67 GLU HG3 . . 4.330 3.446 2.695 4.272 . 0 0 "[ . 1 . 2]" 1
1119 1 67 GLU H 1 68 ARG H . . 4.130 2.763 2.654 2.873 . 0 0 "[ . 1 . 2]" 1
1120 1 67 GLU H 1 68 ARG HB3 . . 4.790 4.742 4.685 4.841 0.051 18 0 "[ . 1 . 2]" 1
1121 1 67 GLU HA 1 67 GLU HG2 . . 4.030 2.819 2.280 3.874 . 0 0 "[ . 1 . 2]" 1
1122 1 67 GLU HA 1 67 GLU QG . . 3.410 2.608 2.228 3.338 . 0 0 "[ . 1 . 2]" 1
1123 1 67 GLU HA 1 67 GLU HG3 . . 4.030 3.303 2.577 3.880 . 0 0 "[ . 1 . 2]" 1
1124 1 68 ARG H 1 68 ARG HB2 . . 4.050 3.957 3.872 3.994 . 0 0 "[ . 1 . 2]" 1
1125 1 68 ARG H 1 68 ARG HB3 . . 3.500 3.041 2.865 3.109 . 0 0 "[ . 1 . 2]" 1
1126 1 68 ARG H 1 68 ARG HD2 . . 5.000 4.902 4.804 4.995 . 0 0 "[ . 1 . 2]" 1
1127 1 68 ARG H 1 68 ARG QD . . 4.270 4.138 4.092 4.199 . 0 0 "[ . 1 . 2]" 1
1128 1 68 ARG H 1 68 ARG HD3 . . 5.000 4.460 4.419 4.562 . 0 0 "[ . 1 . 2]" 1
1129 1 68 ARG H 1 68 ARG HG2 . . 4.280 4.046 3.883 4.134 . 0 0 "[ . 1 . 2]" 1
1130 1 68 ARG H 1 68 ARG HG3 . . 3.300 2.796 2.727 2.850 . 0 0 "[ . 1 . 2]" 1
1131 1 68 ARG HA 1 68 ARG QD . . 3.500 3.376 3.326 3.471 . 0 0 "[ . 1 . 2]" 1
1132 1 68 ARG HA 1 68 ARG HG3 . . 4.020 3.633 3.615 3.647 . 0 0 "[ . 1 . 2]" 1
1133 1 68 ARG HA 1 69 GLU H . . 2.800 2.249 2.211 2.294 . 0 0 "[ . 1 . 2]" 1
1134 1 68 ARG HB2 1 68 ARG HD2 . . 3.970 3.588 3.566 3.598 . 0 0 "[ . 1 . 2]" 1
1135 1 68 ARG HB2 1 68 ARG QD . . 3.480 2.405 2.317 2.500 . 0 0 "[ . 1 . 2]" 1
1136 1 68 ARG HB2 1 68 ARG HD3 . . 3.970 2.444 2.348 2.551 . 0 0 "[ . 1 . 2]" 1
1137 1 68 ARG HB2 1 69 GLU H . . 3.310 3.003 2.878 3.132 . 0 0 "[ . 1 . 2]" 1
1138 1 68 ARG HB3 1 68 ARG QD . . 3.610 3.415 3.384 3.455 . 0 0 "[ . 1 . 2]" 1
1139 1 68 ARG HB3 1 69 GLU H . . 4.340 4.203 4.131 4.276 . 0 0 "[ . 1 . 2]" 1
1140 1 68 ARG QD 1 69 GLU H . . 4.010 2.528 2.397 2.679 . 0 0 "[ . 1 . 2]" 1
1141 1 68 ARG HD2 1 69 GLU H . . 4.570 4.211 4.079 4.393 . 0 0 "[ . 1 . 2]" 1
1142 1 68 ARG HD3 1 69 GLU H . . 4.570 2.548 2.414 2.709 . 0 0 "[ . 1 . 2]" 1
1143 1 68 ARG HG2 1 69 GLU H . . 4.960 4.860 4.740 4.974 0.014 15 0 "[ . 1 . 2]" 1
1144 1 68 ARG HG3 1 69 GLU H . . 4.490 4.113 3.977 4.181 . 0 0 "[ . 1 . 2]" 1
1145 1 68 ARG HG3 1 69 GLU HA . . 4.750 4.524 4.392 4.593 . 0 0 "[ . 1 . 2]" 1
1146 1 69 GLU H 1 69 GLU HB2 . . 3.580 2.825 2.345 3.622 0.042 15 0 "[ . 1 . 2]" 1
1147 1 69 GLU H 1 69 GLU QB . . 3.060 2.320 2.233 2.514 . 0 0 "[ . 1 . 2]" 1
1148 1 69 GLU H 1 69 GLU HB3 . . 3.580 2.568 2.373 2.814 . 0 0 "[ . 1 . 2]" 1
1149 1 69 GLU H 1 69 GLU QG . . 4.240 3.626 2.265 4.087 . 0 0 "[ . 1 . 2]" 1
1150 1 69 GLU H 1 70 LEU H . . 4.700 4.496 4.460 4.560 . 0 0 "[ . 1 . 2]" 1
1151 1 69 GLU HA 1 69 GLU QG . . 3.500 2.677 2.182 3.454 . 0 0 "[ . 1 . 2]" 1
1152 1 69 GLU HA 1 70 LEU H . . 3.260 2.147 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
1153 1 69 GLU HA 1 70 LEU HB2 . . 4.650 4.550 4.450 4.652 0.002 6 0 "[ . 1 . 2]" 1
1154 1 69 GLU HA 1 70 LEU MD2 . . 5.270 5.105 4.981 5.217 . 0 0 "[ . 1 . 2]" 1
1155 1 69 GLU HA 1 70 LEU HG . . 4.290 3.921 3.766 4.122 . 0 0 "[ . 1 . 2]" 1
1156 1 69 GLU QB 1 70 LEU H . . 4.190 3.631 3.067 3.818 . 0 0 "[ . 1 . 2]" 1
1157 1 69 GLU HB2 1 70 LEU H . . 4.780 4.077 3.151 4.429 . 0 0 "[ . 1 . 2]" 1
1158 1 69 GLU HB3 1 70 LEU H . . 4.780 4.195 3.985 4.372 . 0 0 "[ . 1 . 2]" 1
1159 1 69 GLU QG 1 70 LEU H . . 4.030 3.141 2.792 3.962 . 0 0 "[ . 1 . 2]" 1
1160 1 69 GLU QG 1 70 LEU HA . . 5.060 4.171 3.817 4.888 . 0 0 "[ . 1 . 2]" 1
1161 1 70 LEU H 1 70 LEU HB2 . . 3.790 2.494 2.388 2.567 . 0 0 "[ . 1 . 2]" 1
1162 1 70 LEU H 1 70 LEU HB3 . . 4.180 3.676 3.625 3.707 . 0 0 "[ . 1 . 2]" 1
1163 1 70 LEU H 1 70 LEU MD2 . . 4.360 4.030 3.890 4.121 . 0 0 "[ . 1 . 2]" 1
1164 1 70 LEU H 1 70 LEU HG . . 3.530 2.812 2.546 2.949 . 0 0 "[ . 1 . 2]" 1
1165 1 70 LEU HA 1 70 LEU MD1 . . 4.000 3.919 3.887 3.953 . 0 0 "[ . 1 . 2]" 1
1166 1 70 LEU HA 1 70 LEU MD2 . . 3.030 2.382 2.079 2.578 . 0 0 "[ . 1 . 2]" 1
1167 1 70 LEU HA 1 70 LEU HG . . 4.150 2.849 2.785 2.940 . 0 0 "[ . 1 . 2]" 1
1168 1 70 LEU HA 1 71 SER H . . 3.010 2.165 2.157 2.169 . 0 0 "[ . 1 . 2]" 1
1169 1 70 LEU HB2 1 70 LEU MD1 . . 3.350 2.129 2.004 2.273 . 0 0 "[ . 1 . 2]" 1
1170 1 70 LEU HB2 1 70 LEU MD2 . . 3.590 3.143 3.118 3.181 . 0 0 "[ . 1 . 2]" 1
1171 1 70 LEU HB2 1 71 SER H . . 4.270 4.142 4.061 4.216 . 0 0 "[ . 1 . 2]" 1
1172 1 70 LEU HB2 1 72 VAL MG2 . . 3.940 3.814 3.706 3.937 . 0 0 "[ . 1 . 2]" 1
1173 1 70 LEU HB3 1 70 LEU MD1 . . 3.300 2.587 2.424 2.689 . 0 0 "[ . 1 . 2]" 1
1174 1 70 LEU HB3 1 70 LEU MD2 . . 3.480 2.180 2.029 2.323 . 0 0 "[ . 1 . 2]" 1
1175 1 70 LEU HB3 1 71 SER H . . 3.790 3.174 3.147 3.224 . 0 0 "[ . 1 . 2]" 1
1176 1 70 LEU HB3 1 71 SER HA . . 5.030 4.683 4.610 4.768 . 0 0 "[ . 1 . 2]" 1
1177 1 70 LEU HB3 1 72 VAL MG2 . . 3.780 3.311 3.157 3.620 . 0 0 "[ . 1 . 2]" 1
1178 1 70 LEU MD2 1 71 SER H . . 3.960 3.632 3.404 3.822 . 0 0 "[ . 1 . 2]" 1
1179 1 71 SER H 1 71 SER HB2 . . 3.400 2.375 2.301 2.569 . 0 0 "[ . 1 . 2]" 1
1180 1 71 SER HA 1 72 VAL HB . . 5.020 4.703 4.572 4.818 . 0 0 "[ . 1 . 2]" 1
1181 1 71 SER HA 1 72 VAL MG2 . . 4.030 3.572 3.413 3.698 . 0 0 "[ . 1 . 2]" 1
1182 1 71 SER HB2 1 72 VAL H . . 4.510 4.399 4.238 4.473 . 0 0 "[ . 1 . 2]" 1
1183 1 71 SER HB3 1 72 VAL H . . 3.830 3.484 3.061 3.800 . 0 0 "[ . 1 . 2]" 1
1184 1 72 VAL HA 1 72 VAL MG1 . . 3.160 2.307 2.198 2.417 . 0 0 "[ . 1 . 2]" 1
1185 1 72 VAL HA 1 72 VAL MG2 . . 3.040 2.395 2.321 2.505 . 0 0 "[ . 1 . 2]" 1
1186 1 72 VAL HA 1 73 GLN H . . 2.800 2.186 2.162 2.216 . 0 0 "[ . 1 . 2]" 1
1187 1 72 VAL HB 1 73 GLN H . . 4.080 3.976 3.810 4.081 0.001 16 0 "[ . 1 . 2]" 1
1188 1 72 VAL MG1 1 73 GLN H . . 3.320 2.266 1.976 2.580 . 0 0 "[ . 1 . 2]" 1
1189 1 72 VAL MG2 1 73 GLN H . . 4.140 4.047 3.934 4.140 . 10 0 "[ . 1 . 2]" 1
1190 1 73 GLN H 1 73 GLN HB2 . . 4.090 3.953 3.879 3.992 . 0 0 "[ . 1 . 2]" 1
1191 1 73 GLN H 1 73 GLN HB3 . . 4.090 3.369 3.264 3.441 . 0 0 "[ . 1 . 2]" 1
1192 1 73 GLN H 1 73 GLN HG2 . . 4.040 2.629 2.368 3.039 . 0 0 "[ . 1 . 2]" 1
1193 1 73 GLN H 1 73 GLN HG3 . . 4.040 3.403 2.899 4.043 0.003 6 0 "[ . 1 . 2]" 1
1194 1 73 GLN HA 1 74 LEU QB . . 4.520 4.496 4.463 4.521 0.001 13 0 "[ . 1 . 2]" 1
1195 1 73 GLN QB 1 74 LEU H . . 3.280 2.451 2.331 2.557 . 0 0 "[ . 1 . 2]" 1
1196 1 73 GLN HB2 1 74 LEU H . . 3.930 2.481 2.356 2.591 . 0 0 "[ . 1 . 2]" 1
1197 1 73 GLN HB3 1 74 LEU H . . 3.930 3.813 3.708 3.924 . 0 0 "[ . 1 . 2]" 1
1198 1 73 GLN QG 1 74 LEU H . . 3.780 3.521 3.282 3.767 . 0 0 "[ . 1 . 2]" 1
1199 1 74 LEU H 1 74 LEU QB . . 2.990 2.272 2.242 2.317 . 0 0 "[ . 1 . 2]" 1
1200 1 74 LEU H 1 74 LEU MD1 . . 4.490 3.456 3.400 3.584 . 0 0 "[ . 1 . 2]" 1
1201 1 74 LEU H 1 74 LEU MD2 . . 3.910 3.844 3.752 3.894 . 0 0 "[ . 1 . 2]" 1
1202 1 74 LEU H 1 74 LEU HG . . 3.610 2.645 2.515 2.790 . 0 0 "[ . 1 . 2]" 1
1203 1 74 LEU HA 1 74 LEU MD1 . . 4.020 3.863 3.851 3.879 . 0 0 "[ . 1 . 2]" 1
1204 1 74 LEU HA 1 74 LEU MD2 . . 3.130 2.128 2.036 2.221 . 0 0 "[ . 1 . 2]" 1
1205 1 74 LEU HA 1 74 LEU HG . . 3.810 2.766 2.719 2.824 . 0 0 "[ . 1 . 2]" 1
1206 1 74 LEU HA 1 75 GLN H . . 3.280 2.225 2.203 2.245 . 0 0 "[ . 1 . 2]" 1
1207 1 74 LEU HA 1 75 GLN QB . . 4.530 4.178 4.024 4.399 . 0 0 "[ . 1 . 2]" 1
1208 1 74 LEU QB 1 75 GLN H . . 3.770 2.878 2.817 2.958 . 0 0 "[ . 1 . 2]" 1
1209 1 74 LEU MD1 1 75 GLN H . . 4.880 4.851 4.784 4.880 . 5 0 "[ . 1 . 2]" 1
1210 1 74 LEU MD2 1 75 GLN H . . 4.130 3.081 2.948 3.205 . 0 0 "[ . 1 . 2]" 1
1211 1 74 LEU HG 1 75 GLN H . . 4.780 4.707 4.629 4.778 . 0 0 "[ . 1 . 2]" 1
1212 1 75 GLN H 1 75 GLN HB2 . . 3.780 3.019 2.178 3.588 . 0 0 "[ . 1 . 2]" 1
1213 1 75 GLN H 1 75 GLN QB . . 3.260 2.232 2.121 2.400 . 0 0 "[ . 1 . 2]" 1
1214 1 75 GLN H 1 75 GLN HB3 . . 3.780 2.493 2.164 3.493 . 0 0 "[ . 1 . 2]" 1
1215 1 75 GLN H 1 75 GLN HG2 . . 4.490 3.573 2.419 4.515 0.025 9 0 "[ . 1 . 2]" 1
1216 1 75 GLN H 1 75 GLN QG . . 3.880 3.235 2.366 3.930 0.050 12 0 "[ . 1 . 2]" 1
1217 1 75 GLN H 1 75 GLN HG3 . . 4.490 3.842 2.946 4.419 . 0 0 "[ . 1 . 2]" 1
1218 1 75 GLN H 1 76 PRO HD2 . . 4.950 4.790 4.744 4.838 . 0 0 "[ . 1 . 2]" 1
1219 1 75 GLN H 1 76 PRO HD3 . . 5.110 4.936 4.846 5.074 . 0 0 "[ . 1 . 2]" 1
1220 1 75 GLN HA 1 75 GLN HG2 . . 3.980 3.481 2.168 3.964 . 0 0 "[ . 1 . 2]" 1
1221 1 75 GLN HA 1 75 GLN HG3 . . 3.980 3.065 2.534 3.664 . 0 0 "[ . 1 . 2]" 1
1222 1 75 GLN HA 1 76 PRO HD2 . . 3.000 2.251 2.158 2.478 . 0 0 "[ . 1 . 2]" 1
1223 1 75 GLN HA 1 76 PRO HD3 . . 2.980 2.264 2.251 2.332 . 0 0 "[ . 1 . 2]" 1
1224 1 75 GLN HA 1 76 PRO QG . . 4.590 3.913 3.862 4.051 . 0 0 "[ . 1 . 2]" 1
1225 1 75 GLN QB 1 75 GLN QE . . 4.020 2.974 1.943 3.567 . 0 0 "[ . 1 . 2]" 1
1226 1 75 GLN QB 1 76 PRO HD2 . . 3.600 2.721 2.004 3.366 . 0 0 "[ . 1 . 2]" 1
1227 1 75 GLN QB 1 76 PRO HD3 . . 4.170 3.799 3.330 4.200 0.030 1 0 "[ . 1 . 2]" 1
1228 1 75 GLN HB2 1 76 PRO HD2 . . 4.300 2.985 2.016 4.004 . 0 0 "[ . 1 . 2]" 1
1229 1 75 GLN HB2 1 76 PRO HD3 . . 4.970 4.127 3.439 4.928 . 0 0 "[ . 1 . 2]" 1
1230 1 75 GLN HB3 1 76 PRO HD2 . . 4.300 3.681 2.101 4.154 . 0 0 "[ . 1 . 2]" 1
1231 1 75 GLN HB3 1 76 PRO HD3 . . 4.970 4.649 3.530 5.006 0.036 3 0 "[ . 1 . 2]" 1
1232 1 75 GLN QE 1 75 GLN QG . . 3.030 2.209 2.067 2.514 . 0 0 "[ . 1 . 2]" 1
1233 1 75 GLN QE 1 76 PRO HD2 . . 5.340 3.950 2.629 4.829 . 0 0 "[ . 1 . 2]" 1
1234 1 75 GLN HG2 1 76 PRO HD2 . . 5.430 3.647 1.997 5.026 . 0 0 "[ . 1 . 2]" 1
1235 1 75 GLN HG3 1 76 PRO HD2 . . 5.430 2.912 1.992 4.217 . 0 0 "[ . 1 . 2]" 1
1236 1 76 PRO HB2 1 77 THR H . . 4.620 3.385 2.358 4.085 . 0 0 "[ . 1 . 2]" 1
1237 1 76 PRO HB3 1 77 THR H . . 4.620 3.922 3.330 4.405 . 0 0 "[ . 1 . 2]" 1
1238 1 76 PRO HD2 1 79 ALA MB . . 4.170 3.633 2.747 4.071 . 0 0 "[ . 1 . 2]" 1
1239 1 76 PRO HD3 1 79 ALA MB . . 4.790 4.493 4.219 4.789 . 0 0 "[ . 1 . 2]" 1
1240 1 76 PRO QG 1 79 ALA HA . . 4.350 3.393 1.948 4.193 . 0 0 "[ . 1 . 2]" 1
1241 1 77 THR H 1 77 THR MG . . 4.320 2.873 1.966 3.825 . 0 0 "[ . 1 . 2]" 1
1242 1 77 THR HA 1 77 THR MG . . 3.340 2.489 2.163 3.206 . 0 0 "[ . 1 . 2]" 1
1243 1 77 THR HB 1 78 ASP H . . 4.100 3.316 2.184 4.105 0.005 1 0 "[ . 1 . 2]" 1
1244 1 78 ASP H 1 78 ASP QB . . 3.690 2.765 2.410 3.331 . 0 0 "[ . 1 . 2]" 1
1245 1 78 ASP QB 1 79 ALA H . . 4.440 3.819 3.195 4.013 . 0 0 "[ . 1 . 2]" 1
1246 1 79 ALA H 1 79 ALA MB . . 3.530 2.292 2.043 2.913 . 0 0 "[ . 1 . 2]" 1
1247 1 79 ALA MB 1 80 LEU H . . 3.860 2.879 2.220 3.712 . 0 0 "[ . 1 . 2]" 1
1248 1 80 LEU H 1 80 LEU HB2 . . 3.850 2.620 2.148 3.323 . 0 0 "[ . 1 . 2]" 1
1249 1 80 LEU H 1 80 LEU QB . . 3.130 2.447 2.103 2.922 . 0 0 "[ . 1 . 2]" 1
1250 1 80 LEU H 1 80 LEU HB3 . . 3.850 3.133 2.513 3.789 . 0 0 "[ . 1 . 2]" 1
1251 1 80 LEU H 1 80 LEU HG . . 5.120 4.063 1.973 5.009 . 0 0 "[ . 1 . 2]" 1
1252 1 80 LEU HA 1 80 LEU MD1 . . 3.940 3.189 2.045 3.932 . 0 0 "[ . 1 . 2]" 1
1253 1 80 LEU HA 1 80 LEU QD . . 2.980 2.412 1.954 2.938 . 0 0 "[ . 1 . 2]" 1
1254 1 80 LEU HA 1 80 LEU MD2 . . 3.940 2.840 2.014 3.917 . 0 0 "[ . 1 . 2]" 1
1255 1 80 LEU HA 1 80 LEU HG . . 3.740 2.823 2.280 3.709 . 0 0 "[ . 1 . 2]" 1
1256 1 80 LEU QB 1 81 LEU H . . 3.840 3.022 1.932 3.848 0.008 1 0 "[ . 1 . 2]" 1
1257 1 80 LEU QD 1 81 LEU H . . 4.260 3.046 2.099 3.855 . 0 0 "[ . 1 . 2]" 1
1258 1 80 LEU HG 1 81 LEU H . . 5.190 4.082 2.025 5.100 . 0 0 "[ . 1 . 2]" 1
1259 1 81 LEU H 1 81 LEU QB . . 3.340 2.470 2.158 3.253 . 0 0 "[ . 1 . 2]" 1
1260 1 81 LEU H 1 81 LEU HG . . 5.450 3.546 2.418 4.649 . 0 0 "[ . 1 . 2]" 1
1261 1 81 LEU HA 1 81 LEU QD . . 3.490 2.451 1.990 3.136 . 0 0 "[ . 1 . 2]" 1
1262 1 81 LEU HA 1 81 LEU HG . . 3.170 2.689 2.291 3.091 . 0 0 "[ . 1 . 2]" 1
1263 1 81 LEU QB 1 82 CYS H . . 4.540 3.180 2.061 3.904 . 0 0 "[ . 1 . 2]" 1
1264 1 81 LEU HG 1 82 CYS H . . 5.480 4.305 2.394 5.014 . 0 0 "[ . 1 . 2]" 1
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