NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401179 |
1vej   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vej
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 1614
_Distance_constraint_stats_list.Viol_count 1931
_Distance_constraint_stats_list.Viol_total 2461.572
_Distance_constraint_stats_list.Viol_max 0.945
_Distance_constraint_stats_list.Viol_rms 0.0299
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0637
_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 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ARG 2.356 0.235 10 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLN 0.918 0.368 12 0 "[ . 1 . 2]"
1 17 THR 0.048 0.021 8 0 "[ . 1 . 2]"
1 18 ALA 0.048 0.021 8 0 "[ . 1 . 2]"
1 19 LEU 9.832 0.945 8 4 "[ .**+ 1 * . 2]"
1 20 PRO 6.091 0.945 8 4 "[ .**+ 1 * . 2]"
1 21 THR 2.574 0.569 8 1 "[ . + 1 . 2]"
1 22 SER 0.869 0.115 15 0 "[ . 1 . 2]"
1 23 LEU 2.880 0.544 19 1 "[ . 1 . +2]"
1 24 PHE 6.607 0.499 4 0 "[ . 1 . 2]"
1 25 THR 5.575 0.411 10 0 "[ . 1 . 2]"
1 26 GLU 5.163 0.411 10 0 "[ . 1 . 2]"
1 27 GLY 7.265 0.770 10 7 "[ *.* +* *-. *2]"
1 28 ARG 1.604 0.460 10 0 "[ . 1 . 2]"
1 29 TYR 2.457 0.460 10 0 "[ . 1 . 2]"
1 30 GLN 13.289 0.770 10 7 "[ *.* +* *-. *2]"
1 31 GLN 4.263 0.264 11 0 "[ . 1 . 2]"
1 32 GLU 2.141 0.050 15 0 "[ . 1 . 2]"
1 33 LEU 5.255 0.215 19 0 "[ . 1 . 2]"
1 34 GLU 6.470 0.390 7 0 "[ . 1 . 2]"
1 35 GLU 1.806 0.087 13 0 "[ . 1 . 2]"
1 36 LEU 2.254 0.081 16 0 "[ . 1 . 2]"
1 37 LYS 13.052 0.390 7 0 "[ . 1 . 2]"
1 38 ALA 3.085 0.127 5 0 "[ . 1 . 2]"
1 39 LEU 3.905 0.128 16 0 "[ . 1 . 2]"
1 40 GLY 1.560 0.080 12 0 "[ . 1 . 2]"
1 41 PHE 5.702 0.128 16 0 "[ . 1 . 2]"
1 42 ALA 0.859 0.149 5 0 "[ . 1 . 2]"
1 43 ASN 1.324 0.149 5 0 "[ . 1 . 2]"
1 44 ARG 1.057 0.063 11 0 "[ . 1 . 2]"
1 45 ASP 0.693 0.101 1 0 "[ . 1 . 2]"
1 46 ALA 0.875 0.101 1 0 "[ . 1 . 2]"
1 47 ASN 0.216 0.025 19 0 "[ . 1 . 2]"
1 48 LEU 12.526 0.424 13 0 "[ . 1 . 2]"
1 49 GLN 19.113 0.424 13 0 "[ . 1 . 2]"
1 50 ALA 2.684 0.088 13 0 "[ . 1 . 2]"
1 51 LEU 0.731 0.085 20 0 "[ . 1 . 2]"
1 52 VAL 0.888 0.037 4 0 "[ . 1 . 2]"
1 53 ALA 0.415 0.095 3 0 "[ . 1 . 2]"
1 54 THR 2.777 0.447 1 0 "[ . 1 . 2]"
1 55 ASP 0.190 0.041 12 0 "[ . 1 . 2]"
1 56 GLY 0.153 0.016 8 0 "[ . 1 . 2]"
1 57 ASP 1.459 0.447 1 0 "[ . 1 . 2]"
1 58 ILE 1.990 0.074 2 0 "[ . 1 . 2]"
1 59 HIS 0.456 0.047 15 0 "[ . 1 . 2]"
1 60 ALA 1.576 0.240 1 0 "[ . 1 . 2]"
1 61 ALA 2.643 0.287 1 0 "[ . 1 . 2]"
1 62 ILE 6.172 0.196 6 0 "[ . 1 . 2]"
1 63 GLU 12.297 0.505 6 1 "[ .+ 1 . 2]"
1 64 MET 10.257 0.627 17 4 "[ * . - .*+ 2]"
1 65 LEU 8.316 0.627 17 4 "[ * . - .*+ 2]"
1 66 LEU 7.598 0.322 6 0 "[ . 1 . 2]"
1 67 GLY 0.046 0.021 7 0 "[ . 1 . 2]"
1 68 ALA 1.456 0.338 10 0 "[ . 1 . 2]"
1 69 SER 0.005 0.005 7 0 "[ . 1 . 2]"
1 70 GLY 0.260 0.123 2 0 "[ . 1 . 2]"
1 71 PRO 0.260 0.123 2 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ALA H 1 9 ARG H . . 5.220 3.797 2.957 4.488 . 0 0 "[ . 1 . 2]" 1
2 1 8 ALA MB 1 9 ARG H . . 5.250 3.269 2.394 3.790 . 0 0 "[ . 1 . 2]" 1
3 1 9 ARG H 1 9 ARG HG2 . . 5.210 3.967 2.241 4.918 . 0 0 "[ . 1 . 2]" 1
4 1 9 ARG HA 1 9 ARG HD2 . . 5.340 3.395 2.144 4.322 . 0 0 "[ . 1 . 2]" 1
5 1 9 ARG HB2 1 9 ARG HD3 . . 4.240 3.109 2.044 4.237 . 0 0 "[ . 1 . 2]" 1
6 1 9 ARG HB2 1 9 ARG HG2 . . 2.760 2.685 2.489 2.814 0.054 16 0 "[ . 1 . 2]" 1
7 1 9 ARG HB2 1 9 ARG HG3 . . 2.990 2.670 2.269 3.056 0.066 9 0 "[ . 1 . 2]" 1
8 1 9 ARG HB2 1 10 ALA H . . 5.500 3.960 2.414 4.620 . 0 0 "[ . 1 . 2]" 1
9 1 9 ARG HB3 1 9 ARG HD3 . . 4.210 3.196 2.193 4.023 . 0 0 "[ . 1 . 2]" 1
10 1 9 ARG HB3 1 9 ARG HG2 . . 2.820 2.667 2.270 3.055 0.235 10 0 "[ . 1 . 2]" 1
11 1 9 ARG HB3 1 10 ALA H . . 5.500 3.326 2.299 4.261 . 0 0 "[ . 1 . 2]" 1
12 1 10 ALA MB 1 11 CYS H . . 5.260 2.910 2.140 3.771 . 0 0 "[ . 1 . 2]" 1
13 1 11 CYS HB3 1 12 SER H . . 5.500 3.543 2.245 4.416 . 0 0 "[ . 1 . 2]" 1
14 1 13 GLN H 1 14 SER H . . 4.850 4.009 2.331 4.669 . 0 0 "[ . 1 . 2]" 1
15 1 15 SER HB3 1 16 GLN H . . 5.500 3.737 2.218 4.664 . 0 0 "[ . 1 . 2]" 1
16 1 16 GLN H 1 16 GLN HG2 . . 5.170 4.117 1.996 5.169 . 0 0 "[ . 1 . 2]" 1
17 1 16 GLN H 1 17 THR H . . 5.340 3.640 1.936 4.669 . 0 0 "[ . 1 . 2]" 1
18 1 16 GLN HB2 1 16 GLN HG3 . . 2.670 2.611 2.267 3.038 0.368 12 0 "[ . 1 . 2]" 1
19 1 16 GLN HB2 1 17 THR H . . 5.500 3.843 2.368 4.747 . 0 0 "[ . 1 . 2]" 1
20 1 16 GLN HB3 1 17 THR H . . 5.420 3.531 1.969 4.520 . 0 0 "[ . 1 . 2]" 1
21 1 16 GLN HG2 1 17 THR H . . 5.500 4.184 1.951 5.447 . 0 0 "[ . 1 . 2]" 1
22 1 17 THR H 1 17 THR MG . . 4.570 3.015 2.050 3.994 . 0 0 "[ . 1 . 2]" 1
23 1 17 THR H 1 18 ALA H . . 4.700 3.638 2.050 4.622 . 0 0 "[ . 1 . 2]" 1
24 1 17 THR HA 1 18 ALA H . . 3.480 2.678 2.160 3.501 0.021 8 0 "[ . 1 . 2]" 1
25 1 17 THR HB 1 18 ALA H . . 4.400 3.881 1.974 4.407 0.007 17 0 "[ . 1 . 2]" 1
26 1 17 THR MG 1 18 ALA H . . 5.240 3.507 1.953 4.424 . 0 0 "[ . 1 . 2]" 1
27 1 18 ALA HA 1 19 LEU H . . 3.010 2.485 2.188 2.775 . 0 0 "[ . 1 . 2]" 1
28 1 18 ALA MB 1 19 LEU H . . 4.350 2.880 1.984 3.791 . 0 0 "[ . 1 . 2]" 1
29 1 18 ALA MB 1 19 LEU HA . . 5.370 4.075 3.848 4.756 . 0 0 "[ . 1 . 2]" 1
30 1 19 LEU H 1 19 LEU HB2 . . 3.500 3.001 2.415 3.969 0.469 6 0 "[ . 1 . 2]" 1
31 1 19 LEU H 1 19 LEU HB3 . . 4.110 3.616 2.922 4.064 . 0 0 "[ . 1 . 2]" 1
32 1 19 LEU H 1 19 LEU MD1 . . 4.930 3.178 1.932 4.422 . 0 0 "[ . 1 . 2]" 1
33 1 19 LEU H 1 19 LEU MD2 . . 4.880 3.975 1.903 4.717 . 0 0 "[ . 1 . 2]" 1
34 1 19 LEU H 1 19 LEU HG . . 3.980 3.683 2.582 3.991 0.011 19 0 "[ . 1 . 2]" 1
35 1 19 LEU H 1 20 PRO HA . . 4.920 4.898 4.720 5.104 0.184 9 0 "[ . 1 . 2]" 1
36 1 19 LEU H 1 20 PRO HD2 . . 5.500 4.939 4.352 5.020 . 0 0 "[ . 1 . 2]" 1
37 1 19 LEU H 1 20 PRO HD3 . . 5.350 4.606 3.273 4.744 . 0 0 "[ . 1 . 2]" 1
38 1 19 LEU HA 1 19 LEU MD2 . . 3.660 3.404 2.048 4.067 0.407 17 0 "[ . 1 . 2]" 1
39 1 19 LEU HA 1 20 PRO HA . . 4.620 4.319 4.314 4.359 . 0 0 "[ . 1 . 2]" 1
40 1 19 LEU HA 1 20 PRO HD2 . . 3.190 2.691 2.285 2.870 . 0 0 "[ . 1 . 2]" 1
41 1 19 LEU HA 1 20 PRO HD3 . . 3.070 1.998 1.918 2.089 . 0 0 "[ . 1 . 2]" 1
42 1 19 LEU HA 1 20 PRO HG3 . . 5.000 4.259 4.178 4.338 . 0 0 "[ . 1 . 2]" 1
43 1 19 LEU HB2 1 20 PRO HD2 . . 4.450 3.421 2.035 4.491 0.041 9 0 "[ . 1 . 2]" 1
44 1 19 LEU HB2 1 20 PRO HD3 . . 5.180 4.074 2.736 4.792 . 0 0 "[ . 1 . 2]" 1
45 1 19 LEU HB3 1 19 LEU HG . . 2.780 2.762 2.451 3.031 0.251 6 0 "[ . 1 . 2]" 1
46 1 19 LEU HB3 1 20 PRO HD2 . . 3.770 2.606 2.000 3.971 0.201 8 0 "[ . 1 . 2]" 1
47 1 19 LEU HB3 1 20 PRO HD3 . . 4.360 3.441 3.060 4.271 . 0 0 "[ . 1 . 2]" 1
48 1 19 LEU HB3 1 20 PRO HG2 . . 5.310 4.822 4.184 6.255 0.945 8 4 "[ .-*+ 1 * . 2]" 1
49 1 19 LEU HB3 1 21 THR H . . 5.430 5.090 3.837 5.999 0.569 8 1 "[ . + 1 . 2]" 1
50 1 19 LEU MD1 1 20 PRO HD2 . . 5.190 4.298 2.776 5.196 0.006 9 0 "[ . 1 . 2]" 1
51 1 19 LEU MD1 1 20 PRO HD3 . . 5.500 4.731 3.609 5.169 . 0 0 "[ . 1 . 2]" 1
52 1 19 LEU MD2 1 20 PRO HD2 . . 4.270 3.418 2.278 4.784 0.514 8 1 "[ . + 1 . 2]" 1
53 1 19 LEU MD2 1 20 PRO HD3 . . 4.560 4.093 3.132 5.322 0.762 8 1 "[ . + 1 . 2]" 1
54 1 19 LEU HG 1 20 PRO HD2 . . 5.460 3.811 2.673 5.040 . 0 0 "[ . 1 . 2]" 1
55 1 19 LEU HG 1 20 PRO HD3 . . 5.500 4.013 3.383 5.490 . 0 0 "[ . 1 . 2]" 1
56 1 20 PRO HA 1 21 THR H . . 3.160 2.336 2.171 3.233 0.073 17 0 "[ . 1 . 2]" 1
57 1 20 PRO HB2 1 21 THR H . . 4.660 4.206 4.035 4.454 . 0 0 "[ . 1 . 2]" 1
58 1 20 PRO HB2 1 22 SER H . . 5.500 5.483 5.123 5.615 0.115 15 0 "[ . 1 . 2]" 1
59 1 20 PRO HD2 1 21 THR H . . 5.470 4.855 2.742 5.267 . 0 0 "[ . 1 . 2]" 1
60 1 20 PRO HD3 1 21 THR H . . 5.500 5.251 3.844 5.565 0.065 15 0 "[ . 1 . 2]" 1
61 1 20 PRO HG2 1 21 THR H . . 5.500 5.320 3.896 5.465 . 0 0 "[ . 1 . 2]" 1
62 1 21 THR H 1 21 THR HB . . 4.030 2.480 2.059 3.652 . 0 0 "[ . 1 . 2]" 1
63 1 21 THR H 1 21 THR MG . . 4.150 3.628 3.542 3.734 . 0 0 "[ . 1 . 2]" 1
64 1 21 THR HA 1 21 THR MG . . 3.460 2.496 2.077 2.674 . 0 0 "[ . 1 . 2]" 1
65 1 21 THR HA 1 22 SER H . . 3.460 2.192 2.150 2.415 . 0 0 "[ . 1 . 2]" 1
66 1 21 THR HA 1 22 SER HA . . 4.400 4.295 4.235 4.475 0.075 12 0 "[ . 1 . 2]" 1
67 1 21 THR HA 1 23 LEU H . . 5.110 3.696 2.937 4.563 . 0 0 "[ . 1 . 2]" 1
68 1 21 THR HA 1 24 PHE HB2 . . 5.290 3.952 3.753 4.137 . 0 0 "[ . 1 . 2]" 1
69 1 21 THR HA 1 24 PHE HB3 . . 5.290 5.330 5.295 5.391 0.101 15 0 "[ . 1 . 2]" 1
70 1 21 THR HA 1 24 PHE QD . . 5.300 5.208 4.834 5.343 0.043 19 0 "[ . 1 . 2]" 1
71 1 21 THR HB 1 22 SER H . . 4.500 4.430 3.965 4.550 0.050 20 0 "[ . 1 . 2]" 1
72 1 21 THR HB 1 24 PHE HB2 . . 5.500 2.003 1.949 2.238 . 0 0 "[ . 1 . 2]" 1
73 1 21 THR HB 1 24 PHE HB3 . . 5.500 3.218 2.779 3.653 . 0 0 "[ . 1 . 2]" 1
74 1 21 THR HB 1 24 PHE QD . . 5.500 2.940 1.995 3.889 . 0 0 "[ . 1 . 2]" 1
75 1 21 THR MG 1 22 SER H . . 5.270 2.988 2.579 3.973 . 0 0 "[ . 1 . 2]" 1
76 1 21 THR MG 1 23 LEU H . . 5.500 2.214 1.807 3.399 . 0 0 "[ . 1 . 2]" 1
77 1 21 THR MG 1 23 LEU HB2 . . 5.040 2.872 2.223 3.907 . 0 0 "[ . 1 . 2]" 1
78 1 21 THR MG 1 23 LEU HB3 . . 4.690 3.967 3.102 4.805 0.115 7 0 "[ . 1 . 2]" 1
79 1 21 THR MG 1 24 PHE H . . 4.080 2.624 1.924 4.039 . 0 0 "[ . 1 . 2]" 1
80 1 21 THR MG 1 24 PHE HB2 . . 5.240 2.220 1.890 3.728 . 0 0 "[ . 1 . 2]" 1
81 1 21 THR MG 1 24 PHE HB3 . . 5.480 3.674 3.167 5.132 . 0 0 "[ . 1 . 2]" 1
82 1 22 SER H 1 23 LEU H . . 4.530 2.637 2.454 3.193 . 0 0 "[ . 1 . 2]" 1
83 1 22 SER HA 1 24 PHE H . . 4.640 3.514 3.301 4.617 . 0 0 "[ . 1 . 2]" 1
84 1 22 SER HA 1 25 THR H . . 5.310 4.006 3.228 4.777 . 0 0 "[ . 1 . 2]" 1
85 1 22 SER HA 1 26 GLU H . . 5.500 4.885 3.189 5.521 0.021 1 0 "[ . 1 . 2]" 1
86 1 22 SER HB2 1 23 LEU H . . 4.570 3.602 2.268 4.160 . 0 0 "[ . 1 . 2]" 1
87 1 22 SER HB2 1 24 PHE H . . 5.500 5.063 4.584 5.415 . 0 0 "[ . 1 . 2]" 1
88 1 22 SER HB3 1 23 LEU H . . 4.860 3.533 2.789 4.200 . 0 0 "[ . 1 . 2]" 1
89 1 22 SER HB3 1 24 PHE H . . 5.500 5.025 4.639 5.516 0.016 13 0 "[ . 1 . 2]" 1
90 1 23 LEU H 1 23 LEU HB2 . . 3.670 2.490 2.057 3.479 . 0 0 "[ . 1 . 2]" 1
91 1 23 LEU H 1 23 LEU HB3 . . 4.150 3.495 2.200 3.629 . 0 0 "[ . 1 . 2]" 1
92 1 23 LEU H 1 23 LEU MD1 . . 5.460 2.889 2.220 4.155 . 0 0 "[ . 1 . 2]" 1
93 1 23 LEU H 1 23 LEU MD2 . . 5.040 3.996 2.969 4.412 . 0 0 "[ . 1 . 2]" 1
94 1 23 LEU H 1 23 LEU HG . . 3.730 2.771 2.269 3.710 . 0 0 "[ . 1 . 2]" 1
95 1 23 LEU HA 1 23 LEU MD1 . . 4.510 3.778 3.406 3.959 . 0 0 "[ . 1 . 2]" 1
96 1 23 LEU HA 1 23 LEU MD2 . . 3.540 2.909 2.302 4.084 0.544 19 1 "[ . 1 . +2]" 1
97 1 23 LEU HA 1 23 LEU HG . . 4.050 2.657 2.177 3.610 . 0 0 "[ . 1 . 2]" 1
98 1 23 LEU HA 1 24 PHE H . . 3.460 3.157 2.808 3.606 0.146 14 0 "[ . 1 . 2]" 1
99 1 23 LEU HA 1 24 PHE QD . . 5.500 5.421 4.950 5.542 0.042 4 0 "[ . 1 . 2]" 1
100 1 23 LEU HA 1 25 THR H . . 5.470 3.512 3.307 3.811 . 0 0 "[ . 1 . 2]" 1
101 1 23 LEU HA 1 26 GLU H . . 5.390 3.376 2.780 3.842 . 0 0 "[ . 1 . 2]" 1
102 1 23 LEU HA 1 26 GLU HB2 . . 4.740 3.256 2.011 3.778 . 0 0 "[ . 1 . 2]" 1
103 1 23 LEU HA 1 26 GLU HB3 . . 5.310 4.820 3.504 5.307 . 0 0 "[ . 1 . 2]" 1
104 1 23 LEU HA 1 26 GLU HG3 . . 5.390 3.555 1.996 5.394 0.004 11 0 "[ . 1 . 2]" 1
105 1 23 LEU HB2 1 24 PHE H . . 4.540 3.939 2.762 4.559 0.019 19 0 "[ . 1 . 2]" 1
106 1 23 LEU HB2 1 24 PHE QD . . 5.500 4.225 2.966 5.248 . 0 0 "[ . 1 . 2]" 1
107 1 23 LEU HB2 1 25 THR H . . 5.500 5.445 4.797 5.573 0.073 13 0 "[ . 1 . 2]" 1
108 1 23 LEU HB3 1 23 LEU MD1 . . 3.660 2.869 2.521 3.106 . 0 0 "[ . 1 . 2]" 1
109 1 23 LEU HB3 1 24 PHE H . . 4.460 4.373 3.553 4.619 0.159 13 0 "[ . 1 . 2]" 1
110 1 23 LEU HB3 1 25 THR H . . 5.500 5.354 4.892 5.538 0.038 4 0 "[ . 1 . 2]" 1
111 1 23 LEU MD1 1 24 PHE H . . 5.500 4.863 4.191 5.375 . 0 0 "[ . 1 . 2]" 1
112 1 24 PHE H 1 24 PHE HB2 . . 3.680 2.238 1.964 2.408 . 0 0 "[ . 1 . 2]" 1
113 1 24 PHE H 1 24 PHE HB3 . . 3.900 3.068 2.945 3.387 . 0 0 "[ . 1 . 2]" 1
114 1 24 PHE H 1 24 PHE QD . . 4.470 3.706 2.104 3.972 . 0 0 "[ . 1 . 2]" 1
115 1 24 PHE H 1 25 THR H . . 4.190 2.160 1.927 3.179 . 0 0 "[ . 1 . 2]" 1
116 1 24 PHE H 1 25 THR HA . . 5.500 4.725 4.533 5.357 . 0 0 "[ . 1 . 2]" 1
117 1 24 PHE H 1 25 THR HB . . 5.370 4.958 4.253 5.426 0.056 19 0 "[ . 1 . 2]" 1
118 1 24 PHE HA 1 24 PHE QD . . 3.940 2.577 2.066 3.026 . 0 0 "[ . 1 . 2]" 1
119 1 24 PHE HA 1 24 PHE HE1 . . 4.930 4.611 4.286 4.974 0.044 4 0 "[ . 1 . 2]" 1
120 1 24 PHE HA 1 25 THR H . . 3.390 3.322 2.864 3.469 0.079 14 0 "[ . 1 . 2]" 1
121 1 24 PHE HA 1 26 GLU H . . 5.500 4.358 3.885 5.078 . 0 0 "[ . 1 . 2]" 1
122 1 24 PHE HB2 1 24 PHE HE1 . . 4.980 5.000 4.768 5.479 0.499 4 0 "[ . 1 . 2]" 1
123 1 24 PHE HB2 1 25 THR H . . 4.640 3.822 3.211 4.298 . 0 0 "[ . 1 . 2]" 1
124 1 24 PHE HB2 1 25 THR HA . . 5.500 5.450 4.929 5.640 0.140 15 0 "[ . 1 . 2]" 1
125 1 24 PHE HB3 1 24 PHE HE2 . . 5.150 4.783 4.657 5.453 0.303 15 0 "[ . 1 . 2]" 1
126 1 24 PHE HB3 1 25 THR H . . 4.340 3.712 3.506 4.360 0.020 15 0 "[ . 1 . 2]" 1
127 1 24 PHE HB3 1 25 THR HA . . 5.500 4.342 4.107 4.867 . 0 0 "[ . 1 . 2]" 1
128 1 24 PHE HB3 1 25 THR MG . . 5.220 3.660 2.872 4.800 . 0 0 "[ . 1 . 2]" 1
129 1 24 PHE HB3 1 26 GLU H . . 5.500 5.412 5.224 5.858 0.358 15 0 "[ . 1 . 2]" 1
130 1 24 PHE QD 1 25 THR H . . 5.280 4.907 4.506 5.051 . 0 0 "[ . 1 . 2]" 1
131 1 24 PHE QD 1 25 THR MG . . 5.420 4.885 4.207 5.473 0.053 14 0 "[ . 1 . 2]" 1
132 1 25 THR H 1 25 THR HB . . 3.700 3.365 2.835 3.619 . 0 0 "[ . 1 . 2]" 1
133 1 25 THR H 1 25 THR MG . . 3.940 2.887 2.181 3.881 . 0 0 "[ . 1 . 2]" 1
134 1 25 THR H 1 26 GLU H . . 3.890 1.911 1.836 2.181 . 0 0 "[ . 1 . 2]" 1
135 1 25 THR H 1 48 LEU MD1 . . 5.500 5.453 5.282 5.565 0.065 18 0 "[ . 1 . 2]" 1
136 1 25 THR HA 1 25 THR MG . . 3.430 2.584 2.225 3.245 . 0 0 "[ . 1 . 2]" 1
137 1 25 THR HA 1 26 GLU H . . 3.440 3.500 3.307 3.600 0.160 11 0 "[ . 1 . 2]" 1
138 1 25 THR HA 1 27 GLY H . . 4.140 3.429 3.355 3.521 . 0 0 "[ . 1 . 2]" 1
139 1 25 THR HA 1 27 GLY HA3 . . 5.500 5.515 5.360 5.600 0.100 16 0 "[ . 1 . 2]" 1
140 1 25 THR HA 1 28 ARG H . . 4.870 3.194 3.024 3.365 . 0 0 "[ . 1 . 2]" 1
141 1 25 THR HA 1 28 ARG HB2 . . 5.180 2.784 2.325 3.161 . 0 0 "[ . 1 . 2]" 1
142 1 25 THR HA 1 28 ARG HB3 . . 4.910 4.159 3.606 4.598 . 0 0 "[ . 1 . 2]" 1
143 1 25 THR HA 1 28 ARG QD . . 5.320 3.661 2.535 4.585 . 0 0 "[ . 1 . 2]" 1
144 1 25 THR HA 1 28 ARG HG3 . . 5.500 4.684 3.020 5.309 . 0 0 "[ . 1 . 2]" 1
145 1 25 THR HA 1 48 LEU MD1 . . 5.500 4.225 3.962 4.679 . 0 0 "[ . 1 . 2]" 1
146 1 25 THR HB 1 26 GLU H . . 3.930 3.911 3.344 4.111 0.181 14 0 "[ . 1 . 2]" 1
147 1 25 THR HB 1 28 ARG H . . 5.500 5.388 4.944 5.544 0.044 11 0 "[ . 1 . 2]" 1
148 1 25 THR HB 1 29 TYR QD . . 5.350 4.308 3.416 5.244 . 0 0 "[ . 1 . 2]" 1
149 1 25 THR HB 1 48 LEU MD1 . . 5.250 3.750 2.908 5.091 . 0 0 "[ . 1 . 2]" 1
150 1 25 THR HB 1 48 LEU MD2 . . 5.130 2.737 1.968 4.576 . 0 0 "[ . 1 . 2]" 1
151 1 25 THR MG 1 26 GLU H . . 4.920 3.589 1.939 4.441 . 0 0 "[ . 1 . 2]" 1
152 1 25 THR MG 1 26 GLU HG2 . . 5.120 4.549 2.342 5.531 0.411 10 0 "[ . 1 . 2]" 1
153 1 25 THR MG 1 28 ARG H . . 5.180 4.869 4.127 5.160 . 0 0 "[ . 1 . 2]" 1
154 1 25 THR MG 1 28 ARG QD . . 5.240 4.392 2.807 5.067 . 0 0 "[ . 1 . 2]" 1
155 1 25 THR MG 1 29 TYR QD . . 4.680 4.146 2.859 4.640 . 0 0 "[ . 1 . 2]" 1
156 1 25 THR MG 1 29 TYR QE . . 4.530 3.505 2.252 4.569 0.039 18 0 "[ . 1 . 2]" 1
157 1 26 GLU H 1 26 GLU HB2 . . 3.710 2.506 2.205 2.739 . 0 0 "[ . 1 . 2]" 1
158 1 26 GLU H 1 26 GLU HB3 . . 3.870 3.586 3.485 3.623 . 0 0 "[ . 1 . 2]" 1
159 1 26 GLU H 1 26 GLU HG2 . . 3.970 3.126 2.451 3.931 . 0 0 "[ . 1 . 2]" 1
160 1 26 GLU H 1 27 GLY H . . 3.690 2.554 2.320 2.649 . 0 0 "[ . 1 . 2]" 1
161 1 26 GLU H 1 27 GLY HA3 . . 4.530 4.591 4.526 4.716 0.186 18 0 "[ . 1 . 2]" 1
162 1 26 GLU H 1 48 LEU MD1 . . 4.940 4.730 4.597 4.946 0.006 8 0 "[ . 1 . 2]" 1
163 1 26 GLU H 1 48 LEU MD2 . . 5.220 3.249 2.918 3.467 . 0 0 "[ . 1 . 2]" 1
164 1 26 GLU HA 1 26 GLU HG2 . . 3.790 2.481 2.319 2.827 . 0 0 "[ . 1 . 2]" 1
165 1 26 GLU HA 1 27 GLY H . . 3.420 3.269 3.156 3.446 0.026 8 0 "[ . 1 . 2]" 1
166 1 26 GLU HA 1 28 ARG H . . 5.140 4.208 3.781 4.489 . 0 0 "[ . 1 . 2]" 1
167 1 26 GLU HA 1 29 TYR HB2 . . 5.500 4.949 4.483 5.326 . 0 0 "[ . 1 . 2]" 1
168 1 26 GLU HA 1 29 TYR QD . . 5.500 5.016 4.002 5.453 . 0 0 "[ . 1 . 2]" 1
169 1 26 GLU HA 1 48 LEU MD1 . . 4.210 3.132 2.869 3.402 . 0 0 "[ . 1 . 2]" 1
170 1 26 GLU HA 1 48 LEU MD2 . . 4.210 2.379 2.076 2.716 . 0 0 "[ . 1 . 2]" 1
171 1 26 GLU HB2 1 27 GLY H . . 5.020 3.724 3.313 3.927 . 0 0 "[ . 1 . 2]" 1
172 1 26 GLU HB2 1 27 GLY HA2 . . 5.440 4.681 4.395 5.020 . 0 0 "[ . 1 . 2]" 1
173 1 26 GLU HB2 1 48 LEU MD2 . . 5.070 4.057 3.624 4.381 . 0 0 "[ . 1 . 2]" 1
174 1 26 GLU HB3 1 26 GLU HG2 . . 2.940 2.638 2.323 2.842 . 0 0 "[ . 1 . 2]" 1
175 1 26 GLU HB3 1 27 GLY H . . 4.940 4.429 4.201 4.614 . 0 0 "[ . 1 . 2]" 1
176 1 26 GLU HB3 1 27 GLY HA2 . . 5.440 4.868 4.557 5.132 . 0 0 "[ . 1 . 2]" 1
177 1 26 GLU HB3 1 48 LEU MD1 . . 5.300 5.089 4.841 5.254 . 0 0 "[ . 1 . 2]" 1
178 1 26 GLU HB3 1 48 LEU MD2 . . 4.830 3.641 3.324 3.822 . 0 0 "[ . 1 . 2]" 1
179 1 26 GLU HG2 1 48 LEU MD1 . . 4.950 3.985 3.718 4.294 . 0 0 "[ . 1 . 2]" 1
180 1 26 GLU HG2 1 48 LEU MD2 . . 3.930 1.968 1.823 2.331 . 0 0 "[ . 1 . 2]" 1
181 1 26 GLU HG3 1 27 GLY H . . 4.980 4.745 4.496 4.984 0.004 4 0 "[ . 1 . 2]" 1
182 1 27 GLY H 1 28 ARG H . . 3.820 1.953 1.880 2.288 . 0 0 "[ . 1 . 2]" 1
183 1 27 GLY HA2 1 30 GLN H . . 4.130 4.015 3.760 4.139 0.009 17 0 "[ . 1 . 2]" 1
184 1 27 GLY HA2 1 30 GLN HB2 . . 4.170 3.315 2.703 4.558 0.388 10 0 "[ . 1 . 2]" 1
185 1 27 GLY HA2 1 30 GLN HB3 . . 5.020 3.642 2.348 4.422 . 0 0 "[ . 1 . 2]" 1
186 1 27 GLY HA2 1 30 GLN HE21 . . 5.420 4.186 1.947 5.390 . 0 0 "[ . 1 . 2]" 1
187 1 27 GLY HA2 1 30 GLN HG3 . . 4.440 4.219 3.212 5.210 0.770 10 7 "[ *.* +* *-. *2]" 1
188 1 27 GLY HA3 1 28 ARG H . . 3.260 3.081 2.946 3.273 0.013 10 0 "[ . 1 . 2]" 1
189 1 28 ARG H 1 28 ARG HB2 . . 3.460 2.112 2.044 2.368 . 0 0 "[ . 1 . 2]" 1
190 1 28 ARG H 1 28 ARG HB3 . . 3.690 3.277 3.024 3.581 . 0 0 "[ . 1 . 2]" 1
191 1 28 ARG H 1 28 ARG HG2 . . 4.290 4.232 3.663 4.358 0.068 18 0 "[ . 1 . 2]" 1
192 1 28 ARG H 1 28 ARG HG3 . . 4.240 3.516 2.658 3.987 . 0 0 "[ . 1 . 2]" 1
193 1 28 ARG H 1 29 TYR H . . 3.870 2.709 2.195 2.970 . 0 0 "[ . 1 . 2]" 1
194 1 28 ARG H 1 29 TYR QD . . 5.500 4.617 3.638 4.930 . 0 0 "[ . 1 . 2]" 1
195 1 28 ARG H 1 29 TYR QE . . 5.500 5.269 4.343 5.518 0.018 20 0 "[ . 1 . 2]" 1
196 1 28 ARG H 1 30 GLN H . . 4.190 3.996 3.737 4.197 0.007 3 0 "[ . 1 . 2]" 1
197 1 28 ARG H 1 30 GLN HA . . 5.410 5.391 5.173 5.445 0.035 18 0 "[ . 1 . 2]" 1
198 1 28 ARG HA 1 28 ARG QD . . 4.430 3.874 3.256 4.022 . 0 0 "[ . 1 . 2]" 1
199 1 28 ARG HA 1 28 ARG HG2 . . 3.930 2.501 1.978 3.383 . 0 0 "[ . 1 . 2]" 1
200 1 28 ARG HA 1 28 ARG HG3 . . 4.010 2.561 2.060 3.184 . 0 0 "[ . 1 . 2]" 1
201 1 28 ARG HA 1 29 TYR HA . . 4.860 4.608 4.552 4.638 . 0 0 "[ . 1 . 2]" 1
202 1 28 ARG HA 1 29 TYR QD . . 5.130 4.700 4.327 5.082 . 0 0 "[ . 1 . 2]" 1
203 1 28 ARG HA 1 30 GLN H . . 4.650 4.105 3.872 4.674 0.024 10 0 "[ . 1 . 2]" 1
204 1 28 ARG HB2 1 28 ARG HE . . 5.500 4.527 3.971 5.066 . 0 0 "[ . 1 . 2]" 1
205 1 28 ARG HB2 1 29 TYR H . . 4.920 2.740 2.370 3.025 . 0 0 "[ . 1 . 2]" 1
206 1 28 ARG HB2 1 29 TYR QD . . 5.130 3.799 2.635 4.337 . 0 0 "[ . 1 . 2]" 1
207 1 28 ARG HB2 1 29 TYR QE . . 5.210 3.737 2.507 4.259 . 0 0 "[ . 1 . 2]" 1
208 1 28 ARG HB3 1 28 ARG HE . . 5.500 4.391 3.350 5.123 . 0 0 "[ . 1 . 2]" 1
209 1 28 ARG HB3 1 29 TYR H . . 4.570 2.543 1.974 3.864 . 0 0 "[ . 1 . 2]" 1
210 1 28 ARG HB3 1 29 TYR QD . . 4.880 2.864 2.494 3.525 . 0 0 "[ . 1 . 2]" 1
211 1 28 ARG HB3 1 29 TYR QE . . 5.270 2.934 2.513 3.397 . 0 0 "[ . 1 . 2]" 1
212 1 28 ARG QD 1 29 TYR H . . 5.500 4.250 3.902 5.093 . 0 0 "[ . 1 . 2]" 1
213 1 28 ARG QD 1 29 TYR QD . . 5.200 3.963 3.132 4.653 . 0 0 "[ . 1 . 2]" 1
214 1 28 ARG QD 1 29 TYR QE . . 4.040 2.714 1.958 3.620 . 0 0 "[ . 1 . 2]" 1
215 1 28 ARG QD 1 29 TYR HH . . 5.100 2.900 2.003 3.668 . 0 0 "[ . 1 . 2]" 1
216 1 28 ARG HG2 1 29 TYR H . . 5.130 4.665 4.199 5.077 . 0 0 "[ . 1 . 2]" 1
217 1 28 ARG HG2 1 29 TYR QD . . 4.920 4.588 4.211 5.380 0.460 10 0 "[ . 1 . 2]" 1
218 1 28 ARG HG2 1 29 TYR QE . . 5.350 4.068 3.740 4.704 . 0 0 "[ . 1 . 2]" 1
219 1 28 ARG HG3 1 29 TYR H . . 5.500 4.762 4.502 4.924 . 0 0 "[ . 1 . 2]" 1
220 1 28 ARG HG3 1 29 TYR QD . . 5.330 5.322 4.846 5.408 0.078 18 0 "[ . 1 . 2]" 1
221 1 28 ARG HG3 1 29 TYR QE . . 5.500 4.833 4.316 5.147 . 0 0 "[ . 1 . 2]" 1
222 1 29 TYR H 1 29 TYR QD . . 4.610 2.762 1.937 3.032 . 0 0 "[ . 1 . 2]" 1
223 1 29 TYR H 1 30 GLN H . . 4.480 3.081 2.684 3.240 . 0 0 "[ . 1 . 2]" 1
224 1 29 TYR H 1 30 GLN HA . . 5.500 4.494 3.971 4.669 . 0 0 "[ . 1 . 2]" 1
225 1 29 TYR HA 1 29 TYR QD . . 3.630 2.716 2.476 3.367 . 0 0 "[ . 1 . 2]" 1
226 1 29 TYR HA 1 29 TYR QE . . 5.200 4.931 4.843 5.210 0.010 18 0 "[ . 1 . 2]" 1
227 1 29 TYR HA 1 31 GLN H . . 4.970 3.663 3.499 3.917 . 0 0 "[ . 1 . 2]" 1
228 1 29 TYR HA 1 32 GLU H . . 4.720 3.119 2.916 3.347 . 0 0 "[ . 1 . 2]" 1
229 1 29 TYR HA 1 32 GLU HB2 . . 5.180 3.141 2.828 3.553 . 0 0 "[ . 1 . 2]" 1
230 1 29 TYR HA 1 32 GLU HB3 . . 5.500 4.763 4.429 5.233 . 0 0 "[ . 1 . 2]" 1
231 1 29 TYR HA 1 33 LEU H . . 5.500 4.839 4.770 4.914 . 0 0 "[ . 1 . 2]" 1
232 1 29 TYR HA 1 48 LEU MD1 . . 5.500 4.723 4.461 4.813 . 0 0 "[ . 1 . 2]" 1
233 1 29 TYR HA 1 51 LEU MD1 . . 5.290 5.031 4.826 5.293 0.003 3 0 "[ . 1 . 2]" 1
234 1 29 TYR HB2 1 30 GLN H . . 5.500 4.211 4.134 4.308 . 0 0 "[ . 1 . 2]" 1
235 1 29 TYR HB2 1 32 GLU HB2 . . 4.840 2.763 2.557 2.850 . 0 0 "[ . 1 . 2]" 1
236 1 29 TYR HB2 1 32 GLU HB3 . . 5.500 3.948 3.813 4.038 . 0 0 "[ . 1 . 2]" 1
237 1 29 TYR HB2 1 32 GLU HG2 . . 4.180 4.199 4.155 4.223 0.043 3 0 "[ . 1 . 2]" 1
238 1 29 TYR HB2 1 32 GLU HG3 . . 5.480 5.446 5.222 5.500 0.020 1 0 "[ . 1 . 2]" 1
239 1 29 TYR HB2 1 33 LEU H . . 5.480 3.925 3.644 4.089 . 0 0 "[ . 1 . 2]" 1
240 1 29 TYR HB2 1 33 LEU MD1 . . 4.440 3.291 3.132 3.405 . 0 0 "[ . 1 . 2]" 1
241 1 29 TYR HB2 1 33 LEU MD2 . . 5.280 4.129 3.888 4.263 . 0 0 "[ . 1 . 2]" 1
242 1 29 TYR HB2 1 33 LEU HG . . 4.870 3.370 3.111 3.545 . 0 0 "[ . 1 . 2]" 1
243 1 29 TYR HB2 1 48 LEU MD1 . . 3.990 2.352 2.237 2.481 . 0 0 "[ . 1 . 2]" 1
244 1 29 TYR HB2 1 48 LEU MD2 . . 5.200 4.420 4.304 4.573 . 0 0 "[ . 1 . 2]" 1
245 1 29 TYR HB2 1 51 LEU MD1 . . 4.090 3.103 2.744 3.355 . 0 0 "[ . 1 . 2]" 1
246 1 29 TYR HB2 1 51 LEU MD2 . . 4.710 3.498 3.344 3.638 . 0 0 "[ . 1 . 2]" 1
247 1 29 TYR HB3 1 30 GLN HA . . 5.450 5.448 5.416 5.543 0.093 18 0 "[ . 1 . 2]" 1
248 1 29 TYR HB3 1 32 GLU H . . 5.140 3.648 3.391 3.824 . 0 0 "[ . 1 . 2]" 1
249 1 29 TYR HB3 1 32 GLU HB2 . . 4.120 2.010 1.987 2.249 . 0 0 "[ . 1 . 2]" 1
250 1 29 TYR HB3 1 32 GLU HB3 . . 4.460 3.121 3.011 3.365 . 0 0 "[ . 1 . 2]" 1
251 1 29 TYR HB3 1 32 GLU HG2 . . 4.630 2.571 2.460 2.736 . 0 0 "[ . 1 . 2]" 1
252 1 29 TYR HB3 1 32 GLU HG3 . . 5.250 3.956 3.779 4.122 . 0 0 "[ . 1 . 2]" 1
253 1 29 TYR HB3 1 33 LEU H . . 4.750 4.195 4.031 4.354 . 0 0 "[ . 1 . 2]" 1
254 1 29 TYR HB3 1 33 LEU MD1 . . 4.540 4.556 4.541 4.578 0.038 12 0 "[ . 1 . 2]" 1
255 1 29 TYR HB3 1 33 LEU MD2 . . 5.110 5.100 5.034 5.138 0.028 5 0 "[ . 1 . 2]" 1
256 1 29 TYR HB3 1 33 LEU HG . . 4.580 4.303 4.257 4.351 . 0 0 "[ . 1 . 2]" 1
257 1 29 TYR HB3 1 48 LEU MD1 . . 4.740 3.619 3.513 3.831 . 0 0 "[ . 1 . 2]" 1
258 1 29 TYR HB3 1 51 LEU HB2 . . 5.400 4.638 4.360 4.896 . 0 0 "[ . 1 . 2]" 1
259 1 29 TYR HB3 1 51 LEU HB3 . . 5.320 3.765 3.435 3.975 . 0 0 "[ . 1 . 2]" 1
260 1 29 TYR HB3 1 51 LEU MD1 . . 3.530 3.143 2.909 3.397 . 0 0 "[ . 1 . 2]" 1
261 1 29 TYR HB3 1 51 LEU MD2 . . 4.150 2.575 2.262 2.857 . 0 0 "[ . 1 . 2]" 1
262 1 29 TYR QD 1 32 GLU H . . 5.500 5.141 5.040 5.446 . 0 0 "[ . 1 . 2]" 1
263 1 29 TYR QD 1 32 GLU HB2 . . 4.880 4.175 4.072 4.248 . 0 0 "[ . 1 . 2]" 1
264 1 29 TYR QD 1 32 GLU HB3 . . 5.240 5.021 4.883 5.086 . 0 0 "[ . 1 . 2]" 1
265 1 29 TYR QD 1 32 GLU HG2 . . 4.760 3.856 3.433 4.091 . 0 0 "[ . 1 . 2]" 1
266 1 29 TYR QD 1 32 GLU HG3 . . 5.350 5.256 4.853 5.400 0.050 15 0 "[ . 1 . 2]" 1
267 1 29 TYR QD 1 33 LEU MD1 . . 5.500 4.294 3.652 4.650 . 0 0 "[ . 1 . 2]" 1
268 1 29 TYR QD 1 48 LEU HA . . 5.310 3.932 3.726 4.322 . 0 0 "[ . 1 . 2]" 1
269 1 29 TYR QD 1 48 LEU MD1 . . 3.370 1.894 1.805 1.964 . 0 0 "[ . 1 . 2]" 1
270 1 29 TYR QD 1 48 LEU MD2 . . 4.590 3.933 3.342 4.240 . 0 0 "[ . 1 . 2]" 1
271 1 29 TYR QD 1 51 LEU HB2 . . 4.800 3.604 3.099 4.270 . 0 0 "[ . 1 . 2]" 1
272 1 29 TYR QD 1 51 LEU HB3 . . 4.660 3.225 2.766 3.813 . 0 0 "[ . 1 . 2]" 1
273 1 29 TYR QD 1 51 LEU MD1 . . 4.430 3.771 3.540 4.158 . 0 0 "[ . 1 . 2]" 1
274 1 29 TYR QD 1 51 LEU MD2 . . 4.600 3.596 3.294 3.802 . 0 0 "[ . 1 . 2]" 1
275 1 29 TYR QD 1 52 VAL H . . 5.500 4.244 3.827 4.871 . 0 0 "[ . 1 . 2]" 1
276 1 29 TYR QD 1 52 VAL HA . . 5.240 4.556 4.091 4.936 . 0 0 "[ . 1 . 2]" 1
277 1 29 TYR QD 1 52 VAL MG1 . . 4.010 2.828 2.650 3.154 . 0 0 "[ . 1 . 2]" 1
278 1 29 TYR QD 1 56 GLY H . . 5.500 5.100 4.301 5.500 0.000 10 0 "[ . 1 . 2]" 1
279 1 29 TYR QD 1 56 GLY HA2 . . 4.740 3.455 2.289 3.739 . 0 0 "[ . 1 . 2]" 1
280 1 29 TYR QD 1 56 GLY HA3 . . 4.690 3.306 2.182 3.521 . 0 0 "[ . 1 . 2]" 1
281 1 29 TYR QE 1 48 LEU MD1 . . 4.300 3.648 3.388 3.841 . 0 0 "[ . 1 . 2]" 1
282 1 29 TYR QE 1 48 LEU MD2 . . 5.500 5.048 4.223 5.401 . 0 0 "[ . 1 . 2]" 1
283 1 29 TYR QE 1 51 LEU HB2 . . 5.500 4.738 4.473 5.074 . 0 0 "[ . 1 . 2]" 1
284 1 29 TYR QE 1 51 LEU HB3 . . 4.990 4.048 3.745 4.384 . 0 0 "[ . 1 . 2]" 1
285 1 29 TYR QE 1 51 LEU MD1 . . 5.500 5.304 5.117 5.463 . 0 0 "[ . 1 . 2]" 1
286 1 29 TYR QE 1 51 LEU MD2 . . 5.000 4.661 4.277 4.901 . 0 0 "[ . 1 . 2]" 1
287 1 29 TYR QE 1 52 VAL H . . 5.320 4.064 3.803 4.578 . 0 0 "[ . 1 . 2]" 1
288 1 29 TYR QE 1 52 VAL HA . . 3.450 2.935 2.368 3.464 0.014 10 0 "[ . 1 . 2]" 1
289 1 29 TYR QE 1 52 VAL MG1 . . 3.280 2.026 1.915 2.167 . 0 0 "[ . 1 . 2]" 1
290 1 29 TYR QE 1 52 VAL MG2 . . 4.530 4.496 4.437 4.538 0.008 11 0 "[ . 1 . 2]" 1
291 1 29 TYR QE 1 55 ASP HA . . 5.200 4.780 3.973 5.103 . 0 0 "[ . 1 . 2]" 1
292 1 29 TYR QE 1 56 GLY H . . 4.730 4.193 3.452 4.615 . 0 0 "[ . 1 . 2]" 1
293 1 29 TYR QE 1 56 GLY HA2 . . 4.050 3.400 2.819 3.707 . 0 0 "[ . 1 . 2]" 1
294 1 29 TYR QE 1 56 GLY HA3 . . 3.770 2.526 1.993 2.892 . 0 0 "[ . 1 . 2]" 1
295 1 30 GLN H 1 30 GLN HB2 . . 3.560 2.683 2.091 3.550 . 0 0 "[ . 1 . 2]" 1
296 1 30 GLN H 1 30 GLN HB3 . . 3.680 2.778 2.502 2.961 . 0 0 "[ . 1 . 2]" 1
297 1 30 GLN H 1 30 GLN HG3 . . 3.990 3.787 3.428 4.020 0.030 18 0 "[ . 1 . 2]" 1
298 1 30 GLN H 1 31 GLN H . . 3.760 2.770 2.714 2.845 . 0 0 "[ . 1 . 2]" 1
299 1 30 GLN HA 1 30 GLN HE21 . . 5.500 4.790 3.886 5.512 0.012 14 0 "[ . 1 . 2]" 1
300 1 30 GLN HA 1 30 GLN HG3 . . 3.550 2.915 2.144 3.952 0.402 19 0 "[ . 1 . 2]" 1
301 1 30 GLN HA 1 32 GLU H . . 5.380 4.398 4.344 4.570 . 0 0 "[ . 1 . 2]" 1
302 1 30 GLN HA 1 33 LEU H . . 4.020 3.808 3.625 3.948 . 0 0 "[ . 1 . 2]" 1
303 1 30 GLN HA 1 33 LEU MD1 . . 3.370 2.174 1.994 2.278 . 0 0 "[ . 1 . 2]" 1
304 1 30 GLN HA 1 33 LEU MD2 . . 4.810 4.779 4.629 4.855 0.045 11 0 "[ . 1 . 2]" 1
305 1 30 GLN HA 1 33 LEU HG . . 4.720 3.973 3.808 4.125 . 0 0 "[ . 1 . 2]" 1
306 1 30 GLN HB2 1 30 GLN HG3 . . 2.830 2.489 2.339 2.647 . 0 0 "[ . 1 . 2]" 1
307 1 30 GLN HB2 1 31 GLN H . . 3.960 3.571 3.397 3.778 . 0 0 "[ . 1 . 2]" 1
308 1 30 GLN HB3 1 31 GLN H . . 3.860 3.149 2.400 3.982 0.122 11 0 "[ . 1 . 2]" 1
309 1 30 GLN HB3 1 31 GLN HA . . 5.330 4.560 3.810 5.594 0.264 11 0 "[ . 1 . 2]" 1
310 1 30 GLN HG2 1 31 GLN H . . 4.710 3.475 1.941 4.605 . 0 0 "[ . 1 . 2]" 1
311 1 30 GLN HG2 1 31 GLN HA . . 4.720 4.511 4.266 4.721 0.001 8 0 "[ . 1 . 2]" 1
312 1 30 GLN HG3 1 33 LEU MD1 . . 5.260 4.108 3.067 5.475 0.215 19 0 "[ . 1 . 2]" 1
313 1 31 GLN H 1 31 GLN HB2 . . 3.130 2.224 2.211 2.263 . 0 0 "[ . 1 . 2]" 1
314 1 31 GLN H 1 31 GLN HB3 . . 3.440 3.492 3.487 3.506 0.066 18 0 "[ . 1 . 2]" 1
315 1 31 GLN H 1 31 GLN HG2 . . 3.910 2.915 2.607 3.366 . 0 0 "[ . 1 . 2]" 1
316 1 31 GLN H 1 31 GLN HG3 . . 3.940 3.282 2.740 3.591 . 0 0 "[ . 1 . 2]" 1
317 1 31 GLN H 1 32 GLU H . . 3.280 2.618 2.467 2.793 . 0 0 "[ . 1 . 2]" 1
318 1 31 GLN H 1 32 GLU HA . . 5.300 5.110 4.962 5.268 . 0 0 "[ . 1 . 2]" 1
319 1 31 GLN H 1 32 GLU HB2 . . 5.370 4.550 4.387 4.765 . 0 0 "[ . 1 . 2]" 1
320 1 31 GLN H 1 34 GLU H . . 4.950 4.898 4.813 4.972 0.022 9 0 "[ . 1 . 2]" 1
321 1 31 GLN HA 1 31 GLN HG2 . . 3.520 2.283 2.113 2.533 . 0 0 "[ . 1 . 2]" 1
322 1 31 GLN HA 1 31 GLN HG3 . . 3.720 3.514 3.166 3.636 . 0 0 "[ . 1 . 2]" 1
323 1 31 GLN HA 1 33 LEU H . . 4.830 4.621 4.468 4.796 . 0 0 "[ . 1 . 2]" 1
324 1 31 GLN HA 1 34 GLU H . . 3.840 3.269 3.143 3.404 . 0 0 "[ . 1 . 2]" 1
325 1 31 GLN HA 1 34 GLU HB2 . . 3.670 2.445 2.312 2.540 . 0 0 "[ . 1 . 2]" 1
326 1 31 GLN HA 1 34 GLU HB3 . . 4.110 4.036 3.910 4.118 0.008 5 0 "[ . 1 . 2]" 1
327 1 31 GLN HA 1 34 GLU HG3 . . 4.210 3.152 2.971 3.441 . 0 0 "[ . 1 . 2]" 1
328 1 31 GLN HA 1 35 GLU H . . 4.890 4.256 4.167 4.363 . 0 0 "[ . 1 . 2]" 1
329 1 31 GLN HB2 1 32 GLU H . . 3.910 2.881 2.722 2.996 . 0 0 "[ . 1 . 2]" 1
330 1 31 GLN HB2 1 32 GLU HA . . 4.480 4.493 4.485 4.501 0.021 16 0 "[ . 1 . 2]" 1
331 1 31 GLN HB3 1 32 GLU H . . 3.860 3.554 3.369 3.672 . 0 0 "[ . 1 . 2]" 1
332 1 31 GLN HB3 1 34 GLU HB2 . . 5.160 4.062 3.852 4.347 . 0 0 "[ . 1 . 2]" 1
333 1 31 GLN HG2 1 32 GLU H . . 5.010 4.794 4.710 4.967 . 0 0 "[ . 1 . 2]" 1
334 1 31 GLN HG3 1 32 GLU H . . 5.100 4.996 4.752 5.114 0.014 20 0 "[ . 1 . 2]" 1
335 1 32 GLU H 1 32 GLU HB2 . . 3.580 2.263 2.187 2.333 . 0 0 "[ . 1 . 2]" 1
336 1 32 GLU H 1 32 GLU HB3 . . 4.010 3.506 3.473 3.527 . 0 0 "[ . 1 . 2]" 1
337 1 32 GLU H 1 32 GLU HG2 . . 4.330 3.876 3.792 3.911 . 0 0 "[ . 1 . 2]" 1
338 1 32 GLU H 1 32 GLU HG3 . . 4.050 3.607 3.212 3.850 . 0 0 "[ . 1 . 2]" 1
339 1 32 GLU H 1 33 LEU H . . 3.570 2.975 2.947 3.011 . 0 0 "[ . 1 . 2]" 1
340 1 32 GLU H 1 33 LEU HA . . 5.440 5.444 5.423 5.469 0.029 20 0 "[ . 1 . 2]" 1
341 1 32 GLU H 1 33 LEU HG . . 5.500 4.550 4.481 4.613 . 0 0 "[ . 1 . 2]" 1
342 1 32 GLU H 1 34 GLU H . . 4.960 4.086 4.024 4.129 . 0 0 "[ . 1 . 2]" 1
343 1 32 GLU H 1 35 GLU H . . 5.500 4.524 4.462 4.565 . 0 0 "[ . 1 . 2]" 1
344 1 32 GLU H 1 35 GLU HB2 . . 5.230 4.629 4.537 4.693 . 0 0 "[ . 1 . 2]" 1
345 1 32 GLU H 1 51 LEU MD1 . . 5.110 4.622 4.416 4.754 . 0 0 "[ . 1 . 2]" 1
346 1 32 GLU H 1 58 ILE MD . . 5.250 4.105 3.956 4.276 . 0 0 "[ . 1 . 2]" 1
347 1 32 GLU HA 1 32 GLU HG2 . . 3.820 3.565 3.465 3.605 . 0 0 "[ . 1 . 2]" 1
348 1 32 GLU HA 1 32 GLU HG3 . . 3.280 2.300 2.189 2.402 . 0 0 "[ . 1 . 2]" 1
349 1 32 GLU HA 1 34 GLU H . . 4.220 4.217 4.176 4.238 0.018 2 0 "[ . 1 . 2]" 1
350 1 32 GLU HA 1 34 GLU HB2 . . 5.020 5.027 4.989 5.047 0.027 3 0 "[ . 1 . 2]" 1
351 1 32 GLU HA 1 35 GLU H . . 3.880 3.111 3.045 3.180 . 0 0 "[ . 1 . 2]" 1
352 1 32 GLU HA 1 35 GLU HB2 . . 3.590 2.262 2.130 2.397 . 0 0 "[ . 1 . 2]" 1
353 1 32 GLU HA 1 35 GLU HB3 . . 3.780 3.643 3.501 3.789 0.009 6 0 "[ . 1 . 2]" 1
354 1 32 GLU HA 1 35 GLU QG . . 4.770 3.699 3.586 3.815 . 0 0 "[ . 1 . 2]" 1
355 1 32 GLU HA 1 36 LEU H . . 4.700 4.033 3.969 4.074 . 0 0 "[ . 1 . 2]" 1
356 1 32 GLU HA 1 36 LEU MD1 . . 5.250 3.950 3.741 4.110 . 0 0 "[ . 1 . 2]" 1
357 1 32 GLU HA 1 51 LEU MD2 . . 5.170 4.141 3.906 4.240 . 0 0 "[ . 1 . 2]" 1
358 1 32 GLU HA 1 58 ILE MD . . 3.290 2.053 1.962 2.181 . 0 0 "[ . 1 . 2]" 1
359 1 32 GLU HA 1 58 ILE HG13 . . 5.470 4.396 3.952 4.799 . 0 0 "[ . 1 . 2]" 1
360 1 32 GLU HA 1 58 ILE MG . . 4.820 4.181 4.047 4.261 . 0 0 "[ . 1 . 2]" 1
361 1 32 GLU HB2 1 33 LEU H . . 3.900 2.543 2.397 2.627 . 0 0 "[ . 1 . 2]" 1
362 1 32 GLU HB2 1 51 LEU MD1 . . 3.710 2.684 2.381 2.908 . 0 0 "[ . 1 . 2]" 1
363 1 32 GLU HB2 1 51 LEU MD2 . . 3.910 2.931 2.712 3.116 . 0 0 "[ . 1 . 2]" 1
364 1 32 GLU HB2 1 58 ILE MD . . 4.760 3.497 3.208 3.899 . 0 0 "[ . 1 . 2]" 1
365 1 32 GLU HB2 1 58 ILE HG13 . . 5.500 4.961 4.618 5.204 . 0 0 "[ . 1 . 2]" 1
366 1 32 GLU HB2 1 58 ILE MG . . 5.500 5.466 5.299 5.516 0.016 3 0 "[ . 1 . 2]" 1
367 1 32 GLU HB3 1 33 LEU H . . 4.380 3.111 2.952 3.212 . 0 0 "[ . 1 . 2]" 1
368 1 32 GLU HB3 1 36 LEU MD1 . . 4.460 2.636 2.510 2.825 . 0 0 "[ . 1 . 2]" 1
369 1 32 GLU HB3 1 36 LEU MD2 . . 5.280 4.596 4.440 4.680 . 0 0 "[ . 1 . 2]" 1
370 1 32 GLU HB3 1 36 LEU HG . . 4.190 4.162 4.005 4.212 0.022 20 0 "[ . 1 . 2]" 1
371 1 32 GLU HB3 1 51 LEU HB3 . . 4.990 4.660 4.400 4.904 . 0 0 "[ . 1 . 2]" 1
372 1 32 GLU HB3 1 51 LEU MD1 . . 3.820 1.999 1.962 2.108 . 0 0 "[ . 1 . 2]" 1
373 1 32 GLU HB3 1 51 LEU MD2 . . 3.350 2.149 1.960 2.295 . 0 0 "[ . 1 . 2]" 1
374 1 32 GLU HB3 1 58 ILE HB . . 3.940 3.161 3.002 3.317 . 0 0 "[ . 1 . 2]" 1
375 1 32 GLU HB3 1 58 ILE MD . . 3.450 2.237 1.942 2.874 . 0 0 "[ . 1 . 2]" 1
376 1 32 GLU HB3 1 58 ILE HG12 . . 5.060 4.553 4.412 4.737 . 0 0 "[ . 1 . 2]" 1
377 1 32 GLU HB3 1 58 ILE HG13 . . 4.880 3.226 2.885 3.467 . 0 0 "[ . 1 . 2]" 1
378 1 32 GLU HB3 1 58 ILE MG . . 4.890 4.474 4.352 4.590 . 0 0 "[ . 1 . 2]" 1
379 1 32 GLU HG2 1 33 LEU H . . 5.500 4.965 4.890 5.041 . 0 0 "[ . 1 . 2]" 1
380 1 32 GLU HG2 1 51 LEU MD1 . . 4.770 3.520 3.385 3.660 . 0 0 "[ . 1 . 2]" 1
381 1 32 GLU HG2 1 51 LEU MD2 . . 3.970 2.081 1.945 2.309 . 0 0 "[ . 1 . 2]" 1
382 1 32 GLU HG2 1 56 GLY HA2 . . 4.790 4.544 4.149 4.767 . 0 0 "[ . 1 . 2]" 1
383 1 32 GLU HG2 1 56 GLY HA3 . . 5.060 5.041 4.787 5.076 0.016 8 0 "[ . 1 . 2]" 1
384 1 32 GLU HG2 1 58 ILE HB . . 4.700 2.536 2.443 2.614 . 0 0 "[ . 1 . 2]" 1
385 1 32 GLU HG2 1 58 ILE MD . . 3.830 3.170 2.595 3.405 . 0 0 "[ . 1 . 2]" 1
386 1 32 GLU HG2 1 58 ILE HG12 . . 5.250 5.265 5.148 5.295 0.045 20 0 "[ . 1 . 2]" 1
387 1 32 GLU HG2 1 58 ILE HG13 . . 4.950 4.296 4.072 4.470 . 0 0 "[ . 1 . 2]" 1
388 1 32 GLU HG2 1 58 ILE MG . . 4.550 3.886 3.736 4.013 . 0 0 "[ . 1 . 2]" 1
389 1 32 GLU HG3 1 33 LEU H . . 4.960 4.946 4.831 4.984 0.024 16 0 "[ . 1 . 2]" 1
390 1 32 GLU HG3 1 35 GLU HB2 . . 4.930 4.085 3.914 4.239 . 0 0 "[ . 1 . 2]" 1
391 1 32 GLU HG3 1 35 GLU HB3 . . 5.410 4.906 4.688 5.037 . 0 0 "[ . 1 . 2]" 1
392 1 32 GLU HG3 1 51 LEU MD1 . . 5.160 4.165 4.018 4.474 . 0 0 "[ . 1 . 2]" 1
393 1 32 GLU HG3 1 51 LEU MD2 . . 4.370 3.021 2.769 3.394 . 0 0 "[ . 1 . 2]" 1
394 1 32 GLU HG3 1 58 ILE HB . . 4.870 2.205 1.987 2.950 . 0 0 "[ . 1 . 2]" 1
395 1 32 GLU HG3 1 58 ILE MD . . 3.400 1.963 1.886 2.066 . 0 0 "[ . 1 . 2]" 1
396 1 32 GLU HG3 1 58 ILE HG12 . . 5.330 4.426 4.178 4.914 . 0 0 "[ . 1 . 2]" 1
397 1 32 GLU HG3 1 58 ILE HG13 . . 5.250 3.908 3.499 4.714 . 0 0 "[ . 1 . 2]" 1
398 1 32 GLU HG3 1 58 ILE MG . . 4.380 3.078 2.813 3.476 . 0 0 "[ . 1 . 2]" 1
399 1 33 LEU H 1 33 LEU HB2 . . 3.330 2.617 2.599 2.632 . 0 0 "[ . 1 . 2]" 1
400 1 33 LEU H 1 33 LEU HB3 . . 3.940 3.531 3.528 3.535 . 0 0 "[ . 1 . 2]" 1
401 1 33 LEU H 1 33 LEU MD1 . . 4.320 2.927 2.827 3.069 . 0 0 "[ . 1 . 2]" 1
402 1 33 LEU H 1 33 LEU MD2 . . 4.340 3.534 3.478 3.561 . 0 0 "[ . 1 . 2]" 1
403 1 33 LEU H 1 33 LEU HG . . 3.480 1.937 1.920 1.947 . 0 0 "[ . 1 . 2]" 1
404 1 33 LEU H 1 34 GLU H . . 3.480 2.811 2.713 2.885 . 0 0 "[ . 1 . 2]" 1
405 1 33 LEU H 1 34 GLU HA . . 5.500 5.304 5.225 5.363 . 0 0 "[ . 1 . 2]" 1
406 1 33 LEU H 1 35 GLU H . . 5.060 4.152 4.090 4.196 . 0 0 "[ . 1 . 2]" 1
407 1 33 LEU H 1 36 LEU H . . 5.390 5.003 4.954 5.029 . 0 0 "[ . 1 . 2]" 1
408 1 33 LEU H 1 51 LEU MD1 . . 4.320 3.287 3.115 3.463 . 0 0 "[ . 1 . 2]" 1
409 1 33 LEU H 1 51 LEU MD2 . . 5.500 4.575 4.369 4.697 . 0 0 "[ . 1 . 2]" 1
410 1 33 LEU H 1 58 ILE MD . . 5.500 4.074 3.842 4.465 . 0 0 "[ . 1 . 2]" 1
411 1 33 LEU HA 1 33 LEU MD2 . . 2.770 2.712 2.588 2.796 0.026 16 0 "[ . 1 . 2]" 1
412 1 33 LEU HA 1 33 LEU HG . . 3.610 2.801 2.769 2.832 . 0 0 "[ . 1 . 2]" 1
413 1 33 LEU HA 1 35 GLU H . . 5.250 4.346 4.251 4.432 . 0 0 "[ . 1 . 2]" 1
414 1 33 LEU HA 1 36 LEU H . . 4.030 3.730 3.688 3.764 . 0 0 "[ . 1 . 2]" 1
415 1 33 LEU HA 1 36 LEU HB2 . . 3.590 3.309 3.206 3.423 . 0 0 "[ . 1 . 2]" 1
416 1 33 LEU HA 1 36 LEU MD1 . . 3.880 1.974 1.932 2.024 . 0 0 "[ . 1 . 2]" 1
417 1 33 LEU HA 1 36 LEU MD2 . . 5.090 4.767 4.639 4.838 . 0 0 "[ . 1 . 2]" 1
418 1 33 LEU HA 1 36 LEU HG . . 4.070 4.131 4.115 4.151 0.081 16 0 "[ . 1 . 2]" 1
419 1 33 LEU HA 1 37 LYS H . . 4.800 4.335 4.270 4.428 . 0 0 "[ . 1 . 2]" 1
420 1 33 LEU HA 1 44 ARG HA . . 3.770 3.809 3.770 3.833 0.063 11 0 "[ . 1 . 2]" 1
421 1 33 LEU HA 1 47 ASN HB2 . . 5.200 3.283 3.153 3.363 . 0 0 "[ . 1 . 2]" 1
422 1 33 LEU HA 1 47 ASN HB3 . . 4.700 2.747 2.567 2.845 . 0 0 "[ . 1 . 2]" 1
423 1 33 LEU HA 1 47 ASN HD21 . . 5.320 2.704 2.370 3.179 . 0 0 "[ . 1 . 2]" 1
424 1 33 LEU HA 1 51 LEU MD1 . . 4.090 3.188 3.057 3.327 . 0 0 "[ . 1 . 2]" 1
425 1 33 LEU HB2 1 33 LEU MD1 . . 3.380 1.963 1.951 1.991 . 0 0 "[ . 1 . 2]" 1
426 1 33 LEU HB2 1 34 GLU H . . 3.640 2.775 2.724 2.863 . 0 0 "[ . 1 . 2]" 1
427 1 33 LEU HB2 1 34 GLU HG3 . . 4.460 4.003 3.867 4.088 . 0 0 "[ . 1 . 2]" 1
428 1 33 LEU HB2 1 44 ARG HB2 . . 4.240 4.242 4.161 4.263 0.023 18 0 "[ . 1 . 2]" 1
429 1 33 LEU HB2 1 44 ARG HG2 . . 5.500 4.567 4.446 4.839 . 0 0 "[ . 1 . 2]" 1
430 1 33 LEU HB2 1 51 LEU MD1 . . 4.920 4.774 4.664 4.917 . 0 0 "[ . 1 . 2]" 1
431 1 33 LEU HB3 1 33 LEU MD1 . . 3.430 2.766 2.722 2.824 . 0 0 "[ . 1 . 2]" 1
432 1 33 LEU HB3 1 33 LEU MD2 . . 3.100 2.008 1.977 2.057 . 0 0 "[ . 1 . 2]" 1
433 1 33 LEU HB3 1 34 GLU H . . 4.200 3.906 3.842 4.002 . 0 0 "[ . 1 . 2]" 1
434 1 33 LEU HB3 1 34 GLU HA . . 5.500 4.599 4.541 4.671 . 0 0 "[ . 1 . 2]" 1
435 1 33 LEU HB3 1 44 ARG HB3 . . 5.240 4.340 4.309 4.390 . 0 0 "[ . 1 . 2]" 1
436 1 33 LEU HB3 1 44 ARG HG2 . . 4.940 3.604 3.421 3.824 . 0 0 "[ . 1 . 2]" 1
437 1 33 LEU HB3 1 44 ARG HG3 . . 5.060 2.025 1.991 2.144 . 0 0 "[ . 1 . 2]" 1
438 1 33 LEU HB3 1 51 LEU MD1 . . 4.940 4.485 4.394 4.574 . 0 0 "[ . 1 . 2]" 1
439 1 33 LEU MD1 1 34 GLU H . . 4.720 4.092 3.963 4.173 . 0 0 "[ . 1 . 2]" 1
440 1 33 LEU MD1 1 44 ARG HA . . 5.180 4.253 4.165 4.391 . 0 0 "[ . 1 . 2]" 1
441 1 33 LEU MD1 1 44 ARG HB3 . . 5.470 4.594 4.465 4.817 . 0 0 "[ . 1 . 2]" 1
442 1 33 LEU MD1 1 44 ARG QD . . 4.500 2.789 2.348 3.060 . 0 0 "[ . 1 . 2]" 1
443 1 33 LEU MD1 1 44 ARG HE . . 5.500 2.596 1.854 4.838 . 0 0 "[ . 1 . 2]" 1
444 1 33 LEU MD1 1 44 ARG HG2 . . 3.250 2.733 2.551 3.082 . 0 0 "[ . 1 . 2]" 1
445 1 33 LEU MD1 1 44 ARG HG3 . . 4.440 2.148 1.989 2.355 . 0 0 "[ . 1 . 2]" 1
446 1 33 LEU MD1 1 47 ASN HB2 . . 5.130 4.593 4.552 4.652 . 0 0 "[ . 1 . 2]" 1
447 1 33 LEU MD1 1 47 ASN HB3 . . 5.320 4.943 4.796 5.078 . 0 0 "[ . 1 . 2]" 1
448 1 33 LEU MD1 1 51 LEU MD1 . . 4.210 3.806 3.702 3.923 . 0 0 "[ . 1 . 2]" 1
449 1 33 LEU MD2 1 34 GLU H . . 5.080 4.978 4.936 5.009 . 0 0 "[ . 1 . 2]" 1
450 1 33 LEU MD2 1 36 LEU HB2 . . 5.430 4.847 4.711 4.966 . 0 0 "[ . 1 . 2]" 1
451 1 33 LEU MD2 1 36 LEU MD1 . . 3.920 3.210 3.065 3.329 . 0 0 "[ . 1 . 2]" 1
452 1 33 LEU MD2 1 44 ARG HA . . 3.970 2.008 1.970 2.111 . 0 0 "[ . 1 . 2]" 1
453 1 33 LEU MD2 1 44 ARG HB2 . . 4.110 3.367 3.204 3.458 . 0 0 "[ . 1 . 2]" 1
454 1 33 LEU MD2 1 44 ARG HB3 . . 5.030 3.780 3.649 3.902 . 0 0 "[ . 1 . 2]" 1
455 1 33 LEU MD2 1 44 ARG QD . . 4.710 3.422 3.114 3.669 . 0 0 "[ . 1 . 2]" 1
456 1 33 LEU MD2 1 44 ARG HG2 . . 4.480 2.118 1.844 2.484 . 0 0 "[ . 1 . 2]" 1
457 1 33 LEU MD2 1 44 ARG HG3 . . 4.430 1.947 1.899 1.972 . 0 0 "[ . 1 . 2]" 1
458 1 33 LEU MD2 1 47 ASN H . . 4.630 3.582 3.505 3.690 . 0 0 "[ . 1 . 2]" 1
459 1 33 LEU MD2 1 47 ASN HA . . 4.390 4.099 3.984 4.221 . 0 0 "[ . 1 . 2]" 1
460 1 33 LEU MD2 1 47 ASN HB2 . . 3.320 1.942 1.914 2.017 . 0 0 "[ . 1 . 2]" 1
461 1 33 LEU MD2 1 47 ASN HB3 . . 3.180 2.480 2.287 2.642 . 0 0 "[ . 1 . 2]" 1
462 1 33 LEU MD2 1 47 ASN HD21 . . 4.020 3.002 2.901 3.106 . 0 0 "[ . 1 . 2]" 1
463 1 33 LEU MD2 1 47 ASN HD22 . . 4.510 4.462 4.399 4.509 . 0 0 "[ . 1 . 2]" 1
464 1 33 LEU MD2 1 48 LEU H . . 3.620 2.431 2.280 2.550 . 0 0 "[ . 1 . 2]" 1
465 1 33 LEU MD2 1 48 LEU HA . . 3.250 2.595 2.528 2.666 . 0 0 "[ . 1 . 2]" 1
466 1 33 LEU MD2 1 48 LEU HB2 . . 3.340 1.932 1.899 1.976 . 0 0 "[ . 1 . 2]" 1
467 1 33 LEU MD2 1 48 LEU HB3 . . 4.400 3.414 3.357 3.454 . 0 0 "[ . 1 . 2]" 1
468 1 33 LEU MD2 1 48 LEU HG . . 4.350 3.851 3.815 3.876 . 0 0 "[ . 1 . 2]" 1
469 1 33 LEU MD2 1 49 GLN H . . 5.500 4.402 4.307 4.461 . 0 0 "[ . 1 . 2]" 1
470 1 33 LEU MD2 1 51 LEU H . . 5.500 4.667 4.565 4.767 . 0 0 "[ . 1 . 2]" 1
471 1 33 LEU MD2 1 51 LEU MD1 . . 3.020 2.272 2.146 2.409 . 0 0 "[ . 1 . 2]" 1
472 1 33 LEU MD2 1 51 LEU HG . . 5.390 4.743 4.558 4.906 . 0 0 "[ . 1 . 2]" 1
473 1 33 LEU HG 1 34 GLU H . . 5.220 4.340 4.304 4.368 . 0 0 "[ . 1 . 2]" 1
474 1 33 LEU HG 1 48 LEU MD1 . . 4.580 2.432 2.357 2.495 . 0 0 "[ . 1 . 2]" 1
475 1 33 LEU HG 1 48 LEU MD2 . . 3.990 4.038 4.027 4.054 0.064 10 0 "[ . 1 . 2]" 1
476 1 33 LEU HG 1 51 LEU MD1 . . 3.680 2.751 2.670 2.873 . 0 0 "[ . 1 . 2]" 1
477 1 34 GLU H 1 34 GLU HB2 . . 3.290 2.239 2.230 2.250 . 0 0 "[ . 1 . 2]" 1
478 1 34 GLU H 1 34 GLU HB3 . . 3.520 3.500 3.495 3.506 . 0 0 "[ . 1 . 2]" 1
479 1 34 GLU H 1 34 GLU HG3 . . 3.490 2.832 2.778 2.891 . 0 0 "[ . 1 . 2]" 1
480 1 34 GLU H 1 35 GLU H . . 3.240 2.581 2.542 2.613 . 0 0 "[ . 1 . 2]" 1
481 1 34 GLU H 1 35 GLU HA . . 5.130 5.102 5.068 5.130 0.000 2 0 "[ . 1 . 2]" 1
482 1 34 GLU H 1 36 LEU H . . 4.980 4.536 4.481 4.567 . 0 0 "[ . 1 . 2]" 1
483 1 34 GLU H 1 36 LEU MD1 . . 5.500 4.669 4.498 4.767 . 0 0 "[ . 1 . 2]" 1
484 1 34 GLU H 1 37 LYS H . . 4.990 4.748 4.695 4.776 . 0 0 "[ . 1 . 2]" 1
485 1 34 GLU HA 1 34 GLU HG2 . . 3.600 2.128 2.116 2.141 . 0 0 "[ . 1 . 2]" 1
486 1 34 GLU HA 1 36 LEU H . . 5.170 4.887 4.858 4.915 . 0 0 "[ . 1 . 2]" 1
487 1 34 GLU HA 1 37 LYS H . . 3.550 3.447 3.413 3.469 . 0 0 "[ . 1 . 2]" 1
488 1 34 GLU HA 1 37 LYS HB2 . . 3.380 3.093 2.924 3.389 0.009 12 0 "[ . 1 . 2]" 1
489 1 34 GLU HA 1 37 LYS HB3 . . 3.790 2.625 2.426 2.732 . 0 0 "[ . 1 . 2]" 1
490 1 34 GLU HA 1 37 LYS HD2 . . 5.100 4.269 3.383 5.160 0.060 5 0 "[ . 1 . 2]" 1
491 1 34 GLU HA 1 37 LYS HD3 . . 4.720 4.341 3.438 5.110 0.390 7 0 "[ . 1 . 2]" 1
492 1 34 GLU HA 1 37 LYS QE . . 4.410 4.163 2.161 4.300 . 0 0 "[ . 1 . 2]" 1
493 1 34 GLU HA 1 37 LYS HG2 . . 5.500 4.627 4.326 4.678 . 0 0 "[ . 1 . 2]" 1
494 1 34 GLU HA 1 37 LYS HG3 . . 5.310 5.291 5.217 5.320 0.010 7 0 "[ . 1 . 2]" 1
495 1 34 GLU HB2 1 34 GLU HG3 . . 2.730 2.309 2.293 2.333 . 0 0 "[ . 1 . 2]" 1
496 1 34 GLU HB2 1 35 GLU H . . 3.410 2.872 2.804 2.940 . 0 0 "[ . 1 . 2]" 1
497 1 34 GLU HB3 1 34 GLU HG2 . . 2.890 2.758 2.715 2.790 . 0 0 "[ . 1 . 2]" 1
498 1 34 GLU HG2 1 37 LYS H . . 5.500 5.566 5.545 5.593 0.093 6 0 "[ . 1 . 2]" 1
499 1 34 GLU HG3 1 35 GLU H . . 4.750 4.780 4.769 4.790 0.040 6 0 "[ . 1 . 2]" 1
500 1 35 GLU H 1 35 GLU HB2 . . 3.430 2.043 2.018 2.097 . 0 0 "[ . 1 . 2]" 1
501 1 35 GLU H 1 35 GLU HB3 . . 3.510 3.288 3.208 3.403 . 0 0 "[ . 1 . 2]" 1
502 1 35 GLU H 1 35 GLU QG . . 3.870 3.385 3.256 3.584 . 0 0 "[ . 1 . 2]" 1
503 1 35 GLU H 1 36 LEU H . . 3.480 2.878 2.830 2.920 . 0 0 "[ . 1 . 2]" 1
504 1 35 GLU H 1 36 LEU HB2 . . 5.500 5.052 4.988 5.093 . 0 0 "[ . 1 . 2]" 1
505 1 35 GLU H 1 36 LEU MD1 . . 5.360 4.383 4.216 4.477 . 0 0 "[ . 1 . 2]" 1
506 1 35 GLU H 1 37 LYS H . . 4.930 3.904 3.836 3.958 . 0 0 "[ . 1 . 2]" 1
507 1 35 GLU H 1 38 ALA H . . 5.080 5.028 4.998 5.064 . 0 0 "[ . 1 . 2]" 1
508 1 35 GLU H 1 58 ILE MD . . 4.460 3.442 3.295 3.574 . 0 0 "[ . 1 . 2]" 1
509 1 35 GLU HA 1 35 GLU QG . . 3.890 2.339 2.115 2.555 . 0 0 "[ . 1 . 2]" 1
510 1 35 GLU HA 1 37 LYS H . . 5.120 4.125 4.056 4.193 . 0 0 "[ . 1 . 2]" 1
511 1 35 GLU HA 1 38 ALA MB . . 3.320 3.073 3.024 3.129 . 0 0 "[ . 1 . 2]" 1
512 1 35 GLU HA 1 39 LEU H . . 5.010 4.051 3.988 4.157 . 0 0 "[ . 1 . 2]" 1
513 1 35 GLU HA 1 39 LEU QD . . 4.800 3.706 3.660 3.763 . 0 0 "[ . 1 . 2]" 1
514 1 35 GLU HA 1 39 LEU HG . . 4.790 3.600 3.542 3.697 . 0 0 "[ . 1 . 2]" 1
515 1 35 GLU HB2 1 35 GLU QG . . 2.660 2.287 2.205 2.489 . 0 0 "[ . 1 . 2]" 1
516 1 35 GLU HB2 1 36 LEU H . . 3.940 2.869 2.670 3.002 . 0 0 "[ . 1 . 2]" 1
517 1 35 GLU HB2 1 36 LEU MD1 . . 5.500 4.342 4.117 4.502 . 0 0 "[ . 1 . 2]" 1
518 1 35 GLU HB2 1 36 LEU HG . . 5.500 3.816 3.566 3.994 . 0 0 "[ . 1 . 2]" 1
519 1 35 GLU HB2 1 37 LYS H . . 5.230 4.983 4.840 5.090 . 0 0 "[ . 1 . 2]" 1
520 1 35 GLU HB2 1 38 ALA MB . . 5.500 5.420 5.380 5.490 . 0 0 "[ . 1 . 2]" 1
521 1 35 GLU HB2 1 39 LEU QD . . 5.010 3.391 3.271 3.511 . 0 0 "[ . 1 . 2]" 1
522 1 35 GLU HB2 1 58 ILE MD . . 3.570 2.249 1.937 2.452 . 0 0 "[ . 1 . 2]" 1
523 1 35 GLU HB2 1 58 ILE MG . . 5.040 4.416 4.217 4.550 . 0 0 "[ . 1 . 2]" 1
524 1 35 GLU HB3 1 36 LEU H . . 3.900 2.640 2.519 2.841 . 0 0 "[ . 1 . 2]" 1
525 1 35 GLU HB3 1 36 LEU HA . . 5.050 3.774 3.738 3.846 . 0 0 "[ . 1 . 2]" 1
526 1 35 GLU HB3 1 36 LEU MD2 . . 5.390 4.272 4.172 4.432 . 0 0 "[ . 1 . 2]" 1
527 1 35 GLU HB3 1 36 LEU HG . . 5.020 3.264 3.152 3.481 . 0 0 "[ . 1 . 2]" 1
528 1 35 GLU HB3 1 38 ALA MB . . 5.500 4.818 4.686 4.874 . 0 0 "[ . 1 . 2]" 1
529 1 35 GLU HB3 1 39 LEU H . . 4.510 4.362 4.289 4.407 . 0 0 "[ . 1 . 2]" 1
530 1 35 GLU HB3 1 39 LEU HB2 . . 5.270 4.726 4.678 4.809 . 0 0 "[ . 1 . 2]" 1
531 1 35 GLU HB3 1 39 LEU HB3 . . 5.340 5.400 5.376 5.427 0.087 13 0 "[ . 1 . 2]" 1
532 1 35 GLU HB3 1 39 LEU QD . . 4.980 1.968 1.946 2.141 . 0 0 "[ . 1 . 2]" 1
533 1 35 GLU HB3 1 58 ILE MD . . 3.440 1.973 1.836 2.192 . 0 0 "[ . 1 . 2]" 1
534 1 35 GLU HB3 1 58 ILE HG13 . . 5.020 4.645 4.269 5.019 . 0 0 "[ . 1 . 2]" 1
535 1 35 GLU HB3 1 58 ILE MG . . 5.000 4.043 3.917 4.177 . 0 0 "[ . 1 . 2]" 1
536 1 35 GLU QG 1 36 LEU H . . 4.830 4.370 4.351 4.384 . 0 0 "[ . 1 . 2]" 1
537 1 35 GLU QG 1 38 ALA MB . . 5.020 4.361 4.034 4.581 . 0 0 "[ . 1 . 2]" 1
538 1 35 GLU QG 1 39 LEU QD . . 3.780 3.046 2.961 3.092 . 0 0 "[ . 1 . 2]" 1
539 1 35 GLU QG 1 39 LEU HG . . 4.960 4.039 3.828 4.137 . 0 0 "[ . 1 . 2]" 1
540 1 35 GLU QG 1 58 ILE MD . . 3.680 3.063 2.785 3.298 . 0 0 "[ . 1 . 2]" 1
541 1 35 GLU QG 1 58 ILE MG . . 4.630 3.996 3.905 4.069 . 0 0 "[ . 1 . 2]" 1
542 1 36 LEU H 1 36 LEU HB2 . . 3.450 2.643 2.627 2.671 . 0 0 "[ . 1 . 2]" 1
543 1 36 LEU H 1 36 LEU HB3 . . 3.950 3.528 3.524 3.529 . 0 0 "[ . 1 . 2]" 1
544 1 36 LEU H 1 36 LEU MD1 . . 3.820 2.814 2.722 2.877 . 0 0 "[ . 1 . 2]" 1
545 1 36 LEU H 1 36 LEU MD2 . . 3.970 3.557 3.539 3.575 . 0 0 "[ . 1 . 2]" 1
546 1 36 LEU H 1 36 LEU HG . . 3.360 1.931 1.916 1.947 . 0 0 "[ . 1 . 2]" 1
547 1 36 LEU H 1 37 LYS H . . 3.510 2.800 2.785 2.816 . 0 0 "[ . 1 . 2]" 1
548 1 36 LEU H 1 37 LYS HB2 . . 5.440 5.111 4.997 5.388 . 0 0 "[ . 1 . 2]" 1
549 1 36 LEU H 1 37 LYS HB3 . . 5.500 4.999 4.765 5.083 . 0 0 "[ . 1 . 2]" 1
550 1 36 LEU H 1 38 ALA H . . 4.930 3.991 3.968 4.022 . 0 0 "[ . 1 . 2]" 1
551 1 36 LEU H 1 39 LEU QD . . 4.580 3.036 2.900 3.167 . 0 0 "[ . 1 . 2]" 1
552 1 36 LEU H 1 41 PHE QD . . 5.500 4.468 4.378 4.576 . 0 0 "[ . 1 . 2]" 1
553 1 36 LEU H 1 58 ILE MD . . 4.020 2.445 2.343 2.555 . 0 0 "[ . 1 . 2]" 1
554 1 36 LEU H 1 58 ILE HG12 . . 5.500 4.348 4.125 4.529 . 0 0 "[ . 1 . 2]" 1
555 1 36 LEU H 1 58 ILE HG13 . . 5.500 4.251 4.014 4.469 . 0 0 "[ . 1 . 2]" 1
556 1 36 LEU H 1 58 ILE MG . . 5.460 5.332 5.221 5.439 . 0 0 "[ . 1 . 2]" 1
557 1 36 LEU HA 1 36 LEU MD1 . . 4.400 3.919 3.908 3.927 . 0 0 "[ . 1 . 2]" 1
558 1 36 LEU HA 1 36 LEU MD2 . . 2.960 2.825 2.769 2.913 . 0 0 "[ . 1 . 2]" 1
559 1 36 LEU HA 1 36 LEU HG . . 3.840 2.768 2.750 2.788 . 0 0 "[ . 1 . 2]" 1
560 1 36 LEU HA 1 38 ALA H . . 3.420 3.407 3.386 3.426 0.006 3 0 "[ . 1 . 2]" 1
561 1 36 LEU HA 1 38 ALA MB . . 5.450 4.815 4.803 4.829 . 0 0 "[ . 1 . 2]" 1
562 1 36 LEU HA 1 39 LEU H . . 3.740 2.716 2.674 2.737 . 0 0 "[ . 1 . 2]" 1
563 1 36 LEU HA 1 39 LEU HA . . 4.630 4.545 4.515 4.560 . 0 0 "[ . 1 . 2]" 1
564 1 36 LEU HA 1 39 LEU HB2 . . 3.520 1.978 1.964 1.997 . 0 0 "[ . 1 . 2]" 1
565 1 36 LEU HA 1 39 LEU HB3 . . 4.330 3.617 3.599 3.629 . 0 0 "[ . 1 . 2]" 1
566 1 36 LEU HA 1 39 LEU QD . . 3.500 2.045 1.963 2.287 . 0 0 "[ . 1 . 2]" 1
567 1 36 LEU HA 1 39 LEU HG . . 4.530 2.673 2.547 2.750 . 0 0 "[ . 1 . 2]" 1
568 1 36 LEU HA 1 41 PHE H . . 4.610 4.080 4.045 4.115 . 0 0 "[ . 1 . 2]" 1
569 1 36 LEU HA 1 41 PHE HB2 . . 4.810 3.497 3.436 3.537 . 0 0 "[ . 1 . 2]" 1
570 1 36 LEU HA 1 41 PHE HB3 . . 5.490 5.063 5.005 5.110 . 0 0 "[ . 1 . 2]" 1
571 1 36 LEU HA 1 41 PHE QD . . 3.880 2.044 1.968 2.168 . 0 0 "[ . 1 . 2]" 1
572 1 36 LEU HA 1 41 PHE QE . . 4.860 3.404 3.312 3.515 . 0 0 "[ . 1 . 2]" 1
573 1 36 LEU HA 1 58 ILE MD . . 4.230 3.764 3.609 3.998 . 0 0 "[ . 1 . 2]" 1
574 1 36 LEU HA 1 58 ILE HG13 . . 5.500 5.087 4.901 5.312 . 0 0 "[ . 1 . 2]" 1
575 1 36 LEU HA 1 62 ILE MD . . 4.960 4.339 3.986 4.460 . 0 0 "[ . 1 . 2]" 1
576 1 36 LEU HB2 1 36 LEU MD1 . . 3.490 1.966 1.916 2.009 . 0 0 "[ . 1 . 2]" 1
577 1 36 LEU HB2 1 37 LYS H . . 3.660 2.860 2.811 2.914 . 0 0 "[ . 1 . 2]" 1
578 1 36 LEU HB2 1 37 LYS HA . . 4.600 4.223 4.198 4.243 . 0 0 "[ . 1 . 2]" 1
579 1 36 LEU HB2 1 37 LYS HB2 . . 4.690 4.428 4.386 4.621 . 0 0 "[ . 1 . 2]" 1
580 1 36 LEU HB2 1 39 LEU QD . . 5.180 4.139 4.067 4.316 . 0 0 "[ . 1 . 2]" 1
581 1 36 LEU HB2 1 41 PHE H . . 5.180 4.869 4.814 4.939 . 0 0 "[ . 1 . 2]" 1
582 1 36 LEU HB2 1 41 PHE HB2 . . 4.280 2.643 2.581 2.705 . 0 0 "[ . 1 . 2]" 1
583 1 36 LEU HB2 1 41 PHE HB3 . . 5.030 3.833 3.757 3.943 . 0 0 "[ . 1 . 2]" 1
584 1 36 LEU HB2 1 41 PHE QD . . 4.400 3.479 3.396 3.621 . 0 0 "[ . 1 . 2]" 1
585 1 36 LEU HB2 1 47 ASN HB3 . . 5.090 3.604 3.427 3.800 . 0 0 "[ . 1 . 2]" 1
586 1 36 LEU HB2 1 47 ASN HD21 . . 4.950 2.816 2.431 3.325 . 0 0 "[ . 1 . 2]" 1
587 1 36 LEU HB2 1 47 ASN HD22 . . 4.850 2.360 2.070 2.802 . 0 0 "[ . 1 . 2]" 1
588 1 36 LEU HB2 1 51 LEU MD1 . . 4.790 4.436 4.300 4.696 . 0 0 "[ . 1 . 2]" 1
589 1 36 LEU HB2 1 65 LEU MD1 . . 5.500 3.872 3.744 4.092 . 0 0 "[ . 1 . 2]" 1
590 1 36 LEU HB3 1 36 LEU MD1 . . 3.380 2.835 2.808 2.862 . 0 0 "[ . 1 . 2]" 1
591 1 36 LEU HB3 1 36 LEU MD2 . . 3.390 1.981 1.964 2.001 . 0 0 "[ . 1 . 2]" 1
592 1 36 LEU HB3 1 37 LYS H . . 4.080 3.986 3.948 4.033 . 0 0 "[ . 1 . 2]" 1
593 1 36 LEU HB3 1 37 LYS HA . . 5.200 4.698 4.672 4.732 . 0 0 "[ . 1 . 2]" 1
594 1 36 LEU HB3 1 39 LEU H . . 5.500 4.856 4.799 4.883 . 0 0 "[ . 1 . 2]" 1
595 1 36 LEU HB3 1 39 LEU QD . . 5.500 3.575 3.522 3.703 . 0 0 "[ . 1 . 2]" 1
596 1 36 LEU HB3 1 40 GLY H . . 5.500 4.304 4.251 4.350 . 0 0 "[ . 1 . 2]" 1
597 1 36 LEU HB3 1 41 PHE H . . 4.750 4.189 4.143 4.242 . 0 0 "[ . 1 . 2]" 1
598 1 36 LEU HB3 1 41 PHE HB2 . . 3.800 2.039 1.980 2.107 . 0 0 "[ . 1 . 2]" 1
599 1 36 LEU HB3 1 41 PHE HB3 . . 4.080 3.136 3.063 3.206 . 0 0 "[ . 1 . 2]" 1
600 1 36 LEU HB3 1 41 PHE QD . . 4.760 2.098 2.013 2.249 . 0 0 "[ . 1 . 2]" 1
601 1 36 LEU HB3 1 41 PHE QE . . 5.120 3.718 3.678 3.816 . 0 0 "[ . 1 . 2]" 1
602 1 36 LEU HB3 1 47 ASN HB3 . . 5.160 4.483 4.270 4.664 . 0 0 "[ . 1 . 2]" 1
603 1 36 LEU HB3 1 47 ASN HD21 . . 4.860 4.160 3.859 4.554 . 0 0 "[ . 1 . 2]" 1
604 1 36 LEU HB3 1 47 ASN HD22 . . 4.750 3.148 2.879 3.528 . 0 0 "[ . 1 . 2]" 1
605 1 36 LEU MD1 1 37 LYS H . . 5.400 4.013 3.925 4.104 . 0 0 "[ . 1 . 2]" 1
606 1 36 LEU MD1 1 39 LEU QD . . 4.890 3.816 3.766 3.922 . 0 0 "[ . 1 . 2]" 1
607 1 36 LEU MD1 1 41 PHE HB2 . . 5.270 4.042 3.991 4.097 . 0 0 "[ . 1 . 2]" 1
608 1 36 LEU MD1 1 41 PHE HB3 . . 5.500 4.573 4.444 4.665 . 0 0 "[ . 1 . 2]" 1
609 1 36 LEU MD1 1 41 PHE QD . . 5.500 4.322 4.285 4.390 . 0 0 "[ . 1 . 2]" 1
610 1 36 LEU MD1 1 41 PHE QE . . 5.500 5.062 4.980 5.173 . 0 0 "[ . 1 . 2]" 1
611 1 36 LEU MD1 1 47 ASN HA . . 3.820 2.959 2.796 3.197 . 0 0 "[ . 1 . 2]" 1
612 1 36 LEU MD1 1 47 ASN HB2 . . 4.200 3.018 2.931 3.073 . 0 0 "[ . 1 . 2]" 1
613 1 36 LEU MD1 1 47 ASN HB3 . . 3.510 1.789 1.770 1.819 . 0 0 "[ . 1 . 2]" 1
614 1 36 LEU MD1 1 47 ASN HD21 . . 4.830 2.662 2.269 3.182 . 0 0 "[ . 1 . 2]" 1
615 1 36 LEU MD1 1 47 ASN HD22 . . 5.470 3.169 2.894 3.561 . 0 0 "[ . 1 . 2]" 1
616 1 36 LEU MD1 1 58 ILE H . . 5.500 5.395 5.240 5.511 0.011 4 0 "[ . 1 . 2]" 1
617 1 36 LEU MD1 1 58 ILE HA . . 4.810 3.696 3.523 3.848 . 0 0 "[ . 1 . 2]" 1
618 1 36 LEU MD1 1 58 ILE HB . . 5.270 4.034 3.973 4.117 . 0 0 "[ . 1 . 2]" 1
619 1 36 LEU MD1 1 58 ILE MD . . 3.700 2.258 1.941 2.676 . 0 0 "[ . 1 . 2]" 1
620 1 36 LEU MD1 1 58 ILE HG12 . . 3.940 3.456 3.296 3.574 . 0 0 "[ . 1 . 2]" 1
621 1 36 LEU MD1 1 58 ILE HG13 . . 5.080 2.247 2.090 2.448 . 0 0 "[ . 1 . 2]" 1
622 1 36 LEU MD1 1 58 ILE MG . . 4.510 4.544 4.509 4.584 0.074 2 0 "[ . 1 . 2]" 1
623 1 36 LEU MD1 1 61 ALA MB . . 3.740 3.215 3.093 3.407 . 0 0 "[ . 1 . 2]" 1
624 1 36 LEU MD1 1 62 ILE HA . . 5.170 4.959 4.851 5.111 . 0 0 "[ . 1 . 2]" 1
625 1 36 LEU MD1 1 65 LEU MD1 . . 3.470 2.358 2.202 2.576 . 0 0 "[ . 1 . 2]" 1
626 1 36 LEU MD2 1 37 LYS H . . 5.460 5.035 5.012 5.060 . 0 0 "[ . 1 . 2]" 1
627 1 36 LEU MD2 1 39 LEU H . . 5.500 5.020 4.916 5.132 . 0 0 "[ . 1 . 2]" 1
628 1 36 LEU MD2 1 39 LEU HB2 . . 4.310 3.463 3.337 3.602 . 0 0 "[ . 1 . 2]" 1
629 1 36 LEU MD2 1 39 LEU HB3 . . 5.320 4.299 4.161 4.458 . 0 0 "[ . 1 . 2]" 1
630 1 36 LEU MD2 1 39 LEU QD . . 3.520 2.164 1.983 2.324 . 0 0 "[ . 1 . 2]" 1
631 1 36 LEU MD2 1 41 PHE H . . 5.500 5.281 5.236 5.334 . 0 0 "[ . 1 . 2]" 1
632 1 36 LEU MD2 1 41 PHE HB2 . . 4.470 3.659 3.601 3.713 . 0 0 "[ . 1 . 2]" 1
633 1 36 LEU MD2 1 41 PHE HB3 . . 4.770 4.179 4.077 4.271 . 0 0 "[ . 1 . 2]" 1
634 1 36 LEU MD2 1 41 PHE QD . . 3.730 2.850 2.781 2.938 . 0 0 "[ . 1 . 2]" 1
635 1 36 LEU MD2 1 41 PHE QE . . 4.090 2.838 2.754 2.972 . 0 0 "[ . 1 . 2]" 1
636 1 36 LEU MD2 1 47 ASN HB2 . . 5.500 5.129 4.979 5.254 . 0 0 "[ . 1 . 2]" 1
637 1 36 LEU MD2 1 47 ASN HB3 . . 4.760 3.863 3.693 3.972 . 0 0 "[ . 1 . 2]" 1
638 1 36 LEU MD2 1 47 ASN HD21 . . 5.470 4.858 4.588 5.249 . 0 0 "[ . 1 . 2]" 1
639 1 36 LEU MD2 1 51 LEU H . . 5.500 5.480 5.386 5.518 0.018 8 0 "[ . 1 . 2]" 1
640 1 36 LEU MD2 1 51 LEU MD1 . . 3.330 3.340 3.325 3.361 0.031 20 0 "[ . 1 . 2]" 1
641 1 36 LEU MD2 1 58 ILE HA . . 4.440 3.277 3.147 3.423 . 0 0 "[ . 1 . 2]" 1
642 1 36 LEU MD2 1 58 ILE HB . . 4.580 4.327 4.171 4.461 . 0 0 "[ . 1 . 2]" 1
643 1 36 LEU MD2 1 58 ILE MD . . 3.380 2.900 2.748 3.035 . 0 0 "[ . 1 . 2]" 1
644 1 36 LEU MD2 1 58 ILE HG12 . . 3.600 2.149 2.068 2.224 . 0 0 "[ . 1 . 2]" 1
645 1 36 LEU MD2 1 58 ILE HG13 . . 3.620 2.240 2.025 2.496 . 0 0 "[ . 1 . 2]" 1
646 1 36 LEU MD2 1 61 ALA MB . . 3.960 2.492 2.288 2.633 . 0 0 "[ . 1 . 2]" 1
647 1 36 LEU MD2 1 62 ILE H . . 4.310 3.414 3.179 3.589 . 0 0 "[ . 1 . 2]" 1
648 1 36 LEU MD2 1 62 ILE HA . . 4.190 2.851 2.739 2.981 . 0 0 "[ . 1 . 2]" 1
649 1 36 LEU MD2 1 62 ILE MD . . 3.140 3.057 2.934 3.146 0.006 4 0 "[ . 1 . 2]" 1
650 1 36 LEU MD2 1 62 ILE HG12 . . 3.090 2.289 1.925 2.497 . 0 0 "[ . 1 . 2]" 1
651 1 36 LEU MD2 1 62 ILE HG13 . . 3.290 2.199 2.014 2.347 . 0 0 "[ . 1 . 2]" 1
652 1 36 LEU MD2 1 62 ILE MG . . 4.150 3.894 3.653 4.045 . 0 0 "[ . 1 . 2]" 1
653 1 36 LEU MD2 1 65 LEU MD1 . . 3.270 1.959 1.867 2.146 . 0 0 "[ . 1 . 2]" 1
654 1 36 LEU HG 1 37 LYS H . . 4.660 4.357 4.344 4.371 . 0 0 "[ . 1 . 2]" 1
655 1 36 LEU HG 1 39 LEU HB2 . . 4.390 4.353 4.321 4.394 0.004 5 0 "[ . 1 . 2]" 1
656 1 36 LEU HG 1 39 LEU QD . . 4.010 2.531 2.385 2.731 . 0 0 "[ . 1 . 2]" 1
657 1 36 LEU HG 1 47 ASN HD22 . . 5.500 5.044 4.756 5.499 . 0 0 "[ . 1 . 2]" 1
658 1 36 LEU HG 1 58 ILE MD . . 3.520 1.936 1.862 2.029 . 0 0 "[ . 1 . 2]" 1
659 1 36 LEU HG 1 58 ILE HG12 . . 5.130 2.761 2.584 2.898 . 0 0 "[ . 1 . 2]" 1
660 1 36 LEU HG 1 58 ILE HG13 . . 5.150 2.574 2.405 2.724 . 0 0 "[ . 1 . 2]" 1
661 1 36 LEU HG 1 58 ILE MG . . 5.030 4.421 4.320 4.525 . 0 0 "[ . 1 . 2]" 1
662 1 36 LEU HG 1 65 LEU MD1 . . 5.270 4.129 4.019 4.358 . 0 0 "[ . 1 . 2]" 1
663 1 37 LYS H 1 37 LYS HB2 . . 3.150 2.476 2.396 2.733 . 0 0 "[ . 1 . 2]" 1
664 1 37 LYS H 1 37 LYS HB3 . . 3.510 2.451 2.223 2.532 . 0 0 "[ . 1 . 2]" 1
665 1 37 LYS H 1 37 LYS HG2 . . 4.790 4.440 4.220 4.509 . 0 0 "[ . 1 . 2]" 1
666 1 37 LYS H 1 37 LYS HG3 . . 5.050 4.368 4.334 4.415 . 0 0 "[ . 1 . 2]" 1
667 1 37 LYS H 1 38 ALA H . . 3.430 2.665 2.654 2.676 . 0 0 "[ . 1 . 2]" 1
668 1 37 LYS H 1 38 ALA MB . . 4.530 4.230 4.201 4.258 . 0 0 "[ . 1 . 2]" 1
669 1 37 LYS H 1 39 LEU H . . 4.310 4.050 4.022 4.074 . 0 0 "[ . 1 . 2]" 1
670 1 37 LYS H 1 39 LEU QD . . 5.210 4.620 4.568 4.730 . 0 0 "[ . 1 . 2]" 1
671 1 37 LYS H 1 41 PHE HB2 . . 5.100 3.879 3.867 3.901 . 0 0 "[ . 1 . 2]" 1
672 1 37 LYS H 1 41 PHE HB3 . . 5.420 5.450 5.429 5.465 0.045 16 0 "[ . 1 . 2]" 1
673 1 37 LYS H 1 42 ALA HA . . 5.110 4.253 4.046 4.428 . 0 0 "[ . 1 . 2]" 1
674 1 37 LYS H 1 47 ASN HD21 . . 5.330 4.213 3.947 4.631 . 0 0 "[ . 1 . 2]" 1
675 1 37 LYS H 1 47 ASN HD22 . . 5.410 3.889 3.674 4.153 . 0 0 "[ . 1 . 2]" 1
676 1 37 LYS HA 1 37 LYS HD2 . . 5.210 4.292 3.931 4.904 . 0 0 "[ . 1 . 2]" 1
677 1 37 LYS HA 1 37 LYS HD3 . . 4.470 4.445 4.047 4.816 0.346 8 0 "[ . 1 . 2]" 1
678 1 37 LYS HA 1 37 LYS QE . . 5.500 4.058 3.329 4.815 . 0 0 "[ . 1 . 2]" 1
679 1 37 LYS HA 1 37 LYS HG2 . . 3.870 3.372 3.346 3.530 . 0 0 "[ . 1 . 2]" 1
680 1 37 LYS HA 1 37 LYS HG3 . . 3.370 2.376 2.287 2.626 . 0 0 "[ . 1 . 2]" 1
681 1 37 LYS HA 1 38 ALA MB . . 4.690 4.807 4.796 4.817 0.127 5 0 "[ . 1 . 2]" 1
682 1 37 LYS HA 1 39 LEU H . . 4.820 4.766 4.728 4.793 . 0 0 "[ . 1 . 2]" 1
683 1 37 LYS HA 1 40 GLY H . . 4.150 4.205 4.185 4.230 0.080 12 0 "[ . 1 . 2]" 1
684 1 37 LYS HA 1 41 PHE H . . 3.430 2.989 2.974 3.005 . 0 0 "[ . 1 . 2]" 1
685 1 37 LYS HA 1 41 PHE HB2 . . 4.560 3.289 3.226 3.333 . 0 0 "[ . 1 . 2]" 1
686 1 37 LYS HA 1 41 PHE HB3 . . 4.970 4.477 4.403 4.530 . 0 0 "[ . 1 . 2]" 1
687 1 37 LYS HA 1 41 PHE QD . . 5.470 4.540 4.498 4.581 . 0 0 "[ . 1 . 2]" 1
688 1 37 LYS HA 1 42 ALA H . . 5.400 3.784 3.605 3.911 . 0 0 "[ . 1 . 2]" 1
689 1 37 LYS HA 1 42 ALA HA . . 4.020 2.412 2.259 2.528 . 0 0 "[ . 1 . 2]" 1
690 1 37 LYS HA 1 42 ALA MB . . 4.590 3.371 3.160 3.530 . 0 0 "[ . 1 . 2]" 1
691 1 37 LYS HA 1 47 ASN HD21 . . 5.210 4.963 4.822 5.095 . 0 0 "[ . 1 . 2]" 1
692 1 37 LYS HA 1 47 ASN HD22 . . 4.840 3.894 3.689 4.081 . 0 0 "[ . 1 . 2]" 1
693 1 37 LYS HB2 1 37 LYS HD2 . . 3.960 2.835 2.554 3.665 . 0 0 "[ . 1 . 2]" 1
694 1 37 LYS HB2 1 37 LYS HD3 . . 3.930 2.925 2.108 3.670 . 0 0 "[ . 1 . 2]" 1
695 1 37 LYS HB2 1 37 LYS QE . . 4.160 2.944 2.147 3.813 . 0 0 "[ . 1 . 2]" 1
696 1 37 LYS HB2 1 41 PHE H . . 5.500 5.355 5.307 5.387 . 0 0 "[ . 1 . 2]" 1
697 1 37 LYS HB3 1 37 LYS HD3 . . 4.000 3.309 2.720 3.780 . 0 0 "[ . 1 . 2]" 1
698 1 37 LYS HB3 1 37 LYS QE . . 4.030 3.369 2.066 3.511 . 0 0 "[ . 1 . 2]" 1
699 1 37 LYS HB3 1 38 ALA H . . 3.920 3.412 3.385 3.483 . 0 0 "[ . 1 . 2]" 1
700 1 37 LYS HB3 1 38 ALA MB . . 5.100 3.845 3.800 4.016 . 0 0 "[ . 1 . 2]" 1
701 1 37 LYS HB3 1 42 ALA HA . . 5.500 4.208 3.978 4.381 . 0 0 "[ . 1 . 2]" 1
702 1 37 LYS HD2 1 42 ALA HA . . 5.280 3.711 2.782 4.786 . 0 0 "[ . 1 . 2]" 1
703 1 37 LYS QE 1 37 LYS HG2 . . 3.750 2.759 2.168 3.304 . 0 0 "[ . 1 . 2]" 1
704 1 37 LYS QE 1 37 LYS HG3 . . 3.700 2.571 2.150 3.324 . 0 0 "[ . 1 . 2]" 1
705 1 37 LYS QE 1 42 ALA HA . . 5.500 3.359 1.945 4.749 . 0 0 "[ . 1 . 2]" 1
706 1 37 LYS QE 1 42 ALA MB . . 5.110 3.151 1.958 4.661 . 0 0 "[ . 1 . 2]" 1
707 1 37 LYS HG2 1 38 ALA H . . 4.840 4.531 4.161 4.701 . 0 0 "[ . 1 . 2]" 1
708 1 37 LYS HG2 1 38 ALA HA . . 4.590 4.385 4.082 4.595 0.005 1 0 "[ . 1 . 2]" 1
709 1 37 LYS HG2 1 42 ALA HA . . 4.800 4.277 4.086 4.575 . 0 0 "[ . 1 . 2]" 1
710 1 37 LYS HG3 1 38 ALA H . . 4.970 4.850 4.633 4.871 . 0 0 "[ . 1 . 2]" 1
711 1 37 LYS HG3 1 38 ALA HA . . 4.930 4.927 4.496 4.970 0.040 5 0 "[ . 1 . 2]" 1
712 1 37 LYS HG3 1 42 ALA HA . . 4.880 2.750 2.579 3.242 . 0 0 "[ . 1 . 2]" 1
713 1 38 ALA H 1 38 ALA MB . . 2.930 2.377 2.339 2.415 . 0 0 "[ . 1 . 2]" 1
714 1 38 ALA H 1 39 LEU H . . 3.330 1.915 1.892 1.945 . 0 0 "[ . 1 . 2]" 1
715 1 38 ALA H 1 39 LEU HA . . 5.500 4.554 4.534 4.578 . 0 0 "[ . 1 . 2]" 1
716 1 38 ALA H 1 39 LEU HB2 . . 4.970 4.134 4.110 4.156 . 0 0 "[ . 1 . 2]" 1
717 1 38 ALA H 1 39 LEU HB3 . . 5.500 5.385 5.363 5.409 . 0 0 "[ . 1 . 2]" 1
718 1 38 ALA H 1 39 LEU QD . . 5.410 3.973 3.945 4.009 . 0 0 "[ . 1 . 2]" 1
719 1 38 ALA H 1 39 LEU HG . . 3.710 3.344 3.302 3.378 . 0 0 "[ . 1 . 2]" 1
720 1 38 ALA H 1 40 GLY H . . 4.630 3.526 3.503 3.559 . 0 0 "[ . 1 . 2]" 1
721 1 38 ALA HA 1 40 GLY H . . 4.200 4.218 4.209 4.224 0.024 12 0 "[ . 1 . 2]" 1
722 1 38 ALA HA 1 41 PHE H . . 4.940 4.548 4.483 4.596 . 0 0 "[ . 1 . 2]" 1
723 1 38 ALA MB 1 39 LEU H . . 3.560 2.722 2.681 2.769 . 0 0 "[ . 1 . 2]" 1
724 1 38 ALA MB 1 39 LEU HA . . 4.680 3.744 3.724 3.776 . 0 0 "[ . 1 . 2]" 1
725 1 38 ALA MB 1 39 LEU HB2 . . 5.410 4.861 4.839 4.894 . 0 0 "[ . 1 . 2]" 1
726 1 38 ALA MB 1 39 LEU QD . . 4.320 3.303 3.190 3.395 . 0 0 "[ . 1 . 2]" 1
727 1 38 ALA MB 1 39 LEU HG . . 3.960 3.450 3.385 3.527 . 0 0 "[ . 1 . 2]" 1
728 1 38 ALA MB 1 40 GLY H . . 4.830 4.563 4.551 4.578 . 0 0 "[ . 1 . 2]" 1
729 1 39 LEU H 1 39 LEU HB2 . . 3.240 2.573 2.567 2.583 . 0 0 "[ . 1 . 2]" 1
730 1 39 LEU H 1 39 LEU HB3 . . 3.740 3.533 3.532 3.534 . 0 0 "[ . 1 . 2]" 1
731 1 39 LEU H 1 39 LEU QD . . 3.990 2.902 2.853 2.934 . 0 0 "[ . 1 . 2]" 1
732 1 39 LEU H 1 39 LEU HG . . 3.460 1.944 1.933 1.954 . 0 0 "[ . 1 . 2]" 1
733 1 39 LEU H 1 40 GLY H . . 3.420 2.752 2.726 2.777 . 0 0 "[ . 1 . 2]" 1
734 1 39 LEU H 1 40 GLY HA2 . . 5.500 5.050 5.030 5.066 . 0 0 "[ . 1 . 2]" 1
735 1 39 LEU H 1 40 GLY HA3 . . 5.450 5.331 5.313 5.350 . 0 0 "[ . 1 . 2]" 1
736 1 39 LEU H 1 41 PHE H . . 3.980 4.015 4.002 4.031 0.051 5 0 "[ . 1 . 2]" 1
737 1 39 LEU H 1 41 PHE QD . . 4.690 3.684 3.645 3.716 . 0 0 "[ . 1 . 2]" 1
738 1 39 LEU H 1 41 PHE QE . . 5.460 4.881 4.817 4.947 . 0 0 "[ . 1 . 2]" 1
739 1 39 LEU H 1 62 ILE MD . . 5.500 5.348 4.923 5.524 0.024 19 0 "[ . 1 . 2]" 1
740 1 39 LEU HA 1 39 LEU QD . . 2.910 2.234 2.046 2.315 . 0 0 "[ . 1 . 2]" 1
741 1 39 LEU HA 1 39 LEU HG . . 3.840 3.104 3.076 3.155 . 0 0 "[ . 1 . 2]" 1
742 1 39 LEU HA 1 40 GLY HA2 . . 5.320 4.868 4.855 4.878 . 0 0 "[ . 1 . 2]" 1
743 1 39 LEU HA 1 40 GLY HA3 . . 5.500 4.675 4.668 4.686 . 0 0 "[ . 1 . 2]" 1
744 1 39 LEU HA 1 41 PHE H . . 5.500 5.373 5.361 5.388 . 0 0 "[ . 1 . 2]" 1
745 1 39 LEU HA 1 41 PHE QD . . 5.500 4.887 4.828 4.967 . 0 0 "[ . 1 . 2]" 1
746 1 39 LEU HA 1 62 ILE MD . . 5.000 4.738 4.345 4.952 . 0 0 "[ . 1 . 2]" 1
747 1 39 LEU HB2 1 40 GLY H . . 4.850 2.710 2.697 2.722 . 0 0 "[ . 1 . 2]" 1
748 1 39 LEU HB2 1 41 PHE H . . 4.850 4.191 4.149 4.226 . 0 0 "[ . 1 . 2]" 1
749 1 39 LEU HB2 1 41 PHE QD . . 3.920 2.282 2.234 2.336 . 0 0 "[ . 1 . 2]" 1
750 1 39 LEU HB2 1 41 PHE QE . . 4.400 2.398 2.321 2.484 . 0 0 "[ . 1 . 2]" 1
751 1 39 LEU HB2 1 41 PHE HZ . . 5.500 4.830 4.750 4.929 . 0 0 "[ . 1 . 2]" 1
752 1 39 LEU HB2 1 62 ILE MD . . 5.240 3.368 2.961 3.589 . 0 0 "[ . 1 . 2]" 1
753 1 39 LEU HB3 1 39 LEU QD . . 3.210 2.109 2.073 2.160 . 0 0 "[ . 1 . 2]" 1
754 1 39 LEU HB3 1 40 GLY H . . 5.260 3.849 3.831 3.870 . 0 0 "[ . 1 . 2]" 1
755 1 39 LEU HB3 1 41 PHE QD . . 4.140 3.851 3.802 3.912 . 0 0 "[ . 1 . 2]" 1
756 1 39 LEU HB3 1 41 PHE QE . . 4.170 2.850 2.765 2.958 . 0 0 "[ . 1 . 2]" 1
757 1 39 LEU HB3 1 62 ILE MD . . 4.960 2.626 2.222 2.871 . 0 0 "[ . 1 . 2]" 1
758 1 39 LEU QD 1 40 GLY H . . 5.380 4.076 4.065 4.093 . 0 0 "[ . 1 . 2]" 1
759 1 39 LEU QD 1 41 PHE H . . 5.500 5.124 5.104 5.147 . 0 0 "[ . 1 . 2]" 1
760 1 39 LEU QD 1 41 PHE QD . . 4.330 3.302 3.235 3.384 . 0 0 "[ . 1 . 2]" 1
761 1 39 LEU QD 1 41 PHE QE . . 4.100 3.013 2.813 3.155 . 0 0 "[ . 1 . 2]" 1
762 1 39 LEU QD 1 58 ILE MD . . 3.910 2.129 1.864 2.441 . 0 0 "[ . 1 . 2]" 1
763 1 39 LEU QD 1 58 ILE HG12 . . 4.820 2.577 2.391 2.795 . 0 0 "[ . 1 . 2]" 1
764 1 39 LEU QD 1 58 ILE MG . . 3.920 3.095 2.936 3.264 . 0 0 "[ . 1 . 2]" 1
765 1 39 LEU QD 1 62 ILE MD . . 3.120 1.966 1.700 2.148 . 0 0 "[ . 1 . 2]" 1
766 1 39 LEU QD 1 62 ILE HG12 . . 5.060 2.928 2.452 3.210 . 0 0 "[ . 1 . 2]" 1
767 1 39 LEU QD 1 62 ILE HG13 . . 5.430 3.079 2.923 3.232 . 0 0 "[ . 1 . 2]" 1
768 1 39 LEU HG 1 40 GLY H . . 5.130 4.222 4.195 4.242 . 0 0 "[ . 1 . 2]" 1
769 1 39 LEU HG 1 41 PHE H . . 5.500 5.599 5.562 5.628 0.128 16 0 "[ . 1 . 2]" 1
770 1 39 LEU HG 1 41 PHE QD . . 5.310 4.261 4.167 4.327 . 0 0 "[ . 1 . 2]" 1
771 1 39 LEU HG 1 62 ILE MD . . 5.300 4.336 3.869 4.515 . 0 0 "[ . 1 . 2]" 1
772 1 40 GLY H 1 41 PHE H . . 3.110 1.817 1.802 1.828 . 0 0 "[ . 1 . 2]" 1
773 1 40 GLY H 1 41 PHE HA . . 5.360 4.360 4.350 4.368 . 0 0 "[ . 1 . 2]" 1
774 1 40 GLY H 1 41 PHE HB2 . . 5.500 3.739 3.707 3.767 . 0 0 "[ . 1 . 2]" 1
775 1 40 GLY H 1 41 PHE HB3 . . 5.500 5.007 4.996 5.015 . 0 0 "[ . 1 . 2]" 1
776 1 40 GLY H 1 41 PHE QD . . 5.050 2.441 2.362 2.527 . 0 0 "[ . 1 . 2]" 1
777 1 40 GLY H 1 41 PHE QE . . 5.500 3.910 3.873 3.953 . 0 0 "[ . 1 . 2]" 1
778 1 40 GLY HA2 1 41 PHE HA . . 5.340 4.366 4.363 4.372 . 0 0 "[ . 1 . 2]" 1
779 1 40 GLY HA2 1 41 PHE QD . . 5.290 4.516 4.428 4.611 . 0 0 "[ . 1 . 2]" 1
780 1 40 GLY HA3 1 41 PHE H . . 3.610 3.615 3.613 3.617 0.007 6 0 "[ . 1 . 2]" 1
781 1 40 GLY HA3 1 41 PHE HA . . 5.500 4.621 4.613 4.630 . 0 0 "[ . 1 . 2]" 1
782 1 40 GLY HA3 1 41 PHE QE . . 5.300 4.224 4.171 4.328 . 0 0 "[ . 1 . 2]" 1
783 1 41 PHE H 1 41 PHE HB2 . . 3.340 2.798 2.761 2.838 . 0 0 "[ . 1 . 2]" 1
784 1 41 PHE H 1 41 PHE HB3 . . 4.020 3.836 3.819 3.854 . 0 0 "[ . 1 . 2]" 1
785 1 41 PHE H 1 41 PHE QD . . 3.630 2.873 2.809 2.945 . 0 0 "[ . 1 . 2]" 1
786 1 41 PHE H 1 41 PHE QE . . 4.780 4.817 4.802 4.834 0.054 19 0 "[ . 1 . 2]" 1
787 1 41 PHE H 1 42 ALA H . . 5.080 4.243 4.195 4.279 . 0 0 "[ . 1 . 2]" 1
788 1 41 PHE H 1 42 ALA HA . . 5.270 4.677 4.647 4.717 . 0 0 "[ . 1 . 2]" 1
789 1 41 PHE H 1 42 ALA MB . . 5.480 4.390 4.336 4.466 . 0 0 "[ . 1 . 2]" 1
790 1 41 PHE H 1 47 ASN HD22 . . 5.160 4.989 4.848 5.101 . 0 0 "[ . 1 . 2]" 1
791 1 41 PHE HA 1 41 PHE QD . . 3.650 3.021 2.969 3.061 . 0 0 "[ . 1 . 2]" 1
792 1 41 PHE HA 1 41 PHE QE . . 5.050 4.847 4.829 4.859 . 0 0 "[ . 1 . 2]" 1
793 1 41 PHE HA 1 42 ALA H . . 2.940 2.914 2.867 2.974 0.034 16 0 "[ . 1 . 2]" 1
794 1 41 PHE HA 1 42 ALA HA . . 4.810 4.748 4.720 4.780 . 0 0 "[ . 1 . 2]" 1
795 1 41 PHE HA 1 42 ALA MB . . 4.220 3.678 3.607 3.768 . 0 0 "[ . 1 . 2]" 1
796 1 41 PHE HA 1 43 ASN H . . 4.610 4.311 4.078 4.538 . 0 0 "[ . 1 . 2]" 1
797 1 41 PHE HB2 1 42 ALA H . . 5.150 2.661 2.501 2.796 . 0 0 "[ . 1 . 2]" 1
798 1 41 PHE HB2 1 47 ASN HD21 . . 4.860 4.104 3.886 4.291 . 0 0 "[ . 1 . 2]" 1
799 1 41 PHE HB2 1 47 ASN HD22 . . 4.170 2.508 2.362 2.702 . 0 0 "[ . 1 . 2]" 1
800 1 41 PHE HB2 1 65 LEU MD1 . . 4.720 4.056 3.944 4.157 . 0 0 "[ . 1 . 2]" 1
801 1 41 PHE HB2 1 65 LEU MD2 . . 5.320 5.288 5.132 5.354 0.034 1 0 "[ . 1 . 2]" 1
802 1 41 PHE HB3 1 42 ALA H . . 4.720 1.919 1.909 1.933 . 0 0 "[ . 1 . 2]" 1
803 1 41 PHE HB3 1 42 ALA MB . . 5.090 4.312 4.265 4.340 . 0 0 "[ . 1 . 2]" 1
804 1 41 PHE HB3 1 43 ASN H . . 5.230 3.688 3.365 3.967 . 0 0 "[ . 1 . 2]" 1
805 1 41 PHE HB3 1 47 ASN HD21 . . 4.680 4.416 4.223 4.675 . 0 0 "[ . 1 . 2]" 1
806 1 41 PHE HB3 1 47 ASN HD22 . . 3.950 2.770 2.534 3.060 . 0 0 "[ . 1 . 2]" 1
807 1 41 PHE HB3 1 65 LEU MD1 . . 4.120 3.667 3.535 3.849 . 0 0 "[ . 1 . 2]" 1
808 1 41 PHE HB3 1 65 LEU MD2 . . 4.950 4.252 4.151 4.342 . 0 0 "[ . 1 . 2]" 1
809 1 41 PHE QD 1 42 ALA H . . 5.310 3.928 3.885 3.964 . 0 0 "[ . 1 . 2]" 1
810 1 41 PHE QD 1 43 ASN H . . 5.500 5.160 4.862 5.414 . 0 0 "[ . 1 . 2]" 1
811 1 41 PHE QD 1 47 ASN HD22 . . 5.500 4.284 4.160 4.461 . 0 0 "[ . 1 . 2]" 1
812 1 41 PHE QD 1 62 ILE MD . . 4.850 4.518 4.299 4.806 . 0 0 "[ . 1 . 2]" 1
813 1 41 PHE QD 1 62 ILE HG12 . . 5.500 3.929 3.839 4.061 . 0 0 "[ . 1 . 2]" 1
814 1 41 PHE QD 1 62 ILE MG . . 4.790 4.716 4.338 4.897 0.107 19 0 "[ . 1 . 2]" 1
815 1 41 PHE QD 1 65 LEU HB2 . . 4.940 3.479 3.378 3.741 . 0 0 "[ . 1 . 2]" 1
816 1 41 PHE QD 1 65 LEU HB3 . . 4.580 2.602 2.332 2.893 . 0 0 "[ . 1 . 2]" 1
817 1 41 PHE QD 1 65 LEU MD1 . . 4.070 3.356 3.190 3.470 . 0 0 "[ . 1 . 2]" 1
818 1 41 PHE QD 1 65 LEU MD2 . . 4.390 3.807 3.500 4.038 . 0 0 "[ . 1 . 2]" 1
819 1 41 PHE QD 1 66 LEU QD . . 4.490 4.025 3.683 4.399 . 0 0 "[ . 1 . 2]" 1
820 1 41 PHE QE 1 62 ILE H . . 5.500 5.221 5.030 5.325 . 0 0 "[ . 1 . 2]" 1
821 1 41 PHE QE 1 62 ILE HA . . 5.210 3.269 3.127 3.429 . 0 0 "[ . 1 . 2]" 1
822 1 41 PHE QE 1 62 ILE HB . . 5.460 4.663 4.499 4.811 . 0 0 "[ . 1 . 2]" 1
823 1 41 PHE QE 1 62 ILE MD . . 3.900 2.751 2.411 3.202 . 0 0 "[ . 1 . 2]" 1
824 1 41 PHE QE 1 62 ILE HG12 . . 4.300 2.042 1.982 2.280 . 0 0 "[ . 1 . 2]" 1
825 1 41 PHE QE 1 62 ILE HG13 . . 4.800 3.663 3.541 3.970 . 0 0 "[ . 1 . 2]" 1
826 1 41 PHE QE 1 62 ILE MG . . 4.060 2.847 2.234 3.065 . 0 0 "[ . 1 . 2]" 1
827 1 41 PHE QE 1 65 LEU HB2 . . 4.410 2.344 2.063 2.622 . 0 0 "[ . 1 . 2]" 1
828 1 41 PHE QE 1 65 LEU HB3 . . 4.370 2.601 2.065 2.977 . 0 0 "[ . 1 . 2]" 1
829 1 41 PHE QE 1 65 LEU MD1 . . 4.450 3.531 3.364 3.687 . 0 0 "[ . 1 . 2]" 1
830 1 41 PHE QE 1 65 LEU MD2 . . 4.580 4.383 4.003 4.615 0.035 9 0 "[ . 1 . 2]" 1
831 1 41 PHE QE 1 66 LEU H . . 5.180 3.503 3.296 3.894 . 0 0 "[ . 1 . 2]" 1
832 1 41 PHE QE 1 66 LEU HA . . 4.480 3.031 2.807 3.272 . 0 0 "[ . 1 . 2]" 1
833 1 41 PHE QE 1 66 LEU QD . . 3.840 2.326 1.861 2.911 . 0 0 "[ . 1 . 2]" 1
834 1 41 PHE QE 1 66 LEU HG . . 4.250 3.879 3.125 4.353 0.103 7 0 "[ . 1 . 2]" 1
835 1 41 PHE HZ 1 62 ILE HA . . 4.420 2.652 2.418 2.812 . 0 0 "[ . 1 . 2]" 1
836 1 41 PHE HZ 1 62 ILE HB . . 5.330 4.266 4.117 4.481 . 0 0 "[ . 1 . 2]" 1
837 1 41 PHE HZ 1 62 ILE MD . . 5.100 3.749 3.400 4.246 . 0 0 "[ . 1 . 2]" 1
838 1 41 PHE HZ 1 62 ILE HG12 . . 5.500 2.724 2.371 3.273 . 0 0 "[ . 1 . 2]" 1
839 1 41 PHE HZ 1 62 ILE MG . . 3.240 1.934 1.889 1.980 . 0 0 "[ . 1 . 2]" 1
840 1 41 PHE HZ 1 65 LEU HB2 . . 5.470 3.359 2.937 3.690 . 0 0 "[ . 1 . 2]" 1
841 1 41 PHE HZ 1 66 LEU H . . 5.500 4.269 3.981 4.594 . 0 0 "[ . 1 . 2]" 1
842 1 41 PHE HZ 1 66 LEU HB2 . . 5.450 4.858 4.653 5.261 . 0 0 "[ . 1 . 2]" 1
843 1 41 PHE HZ 1 66 LEU QD . . 3.070 2.065 1.792 2.642 . 0 0 "[ . 1 . 2]" 1
844 1 41 PHE HZ 1 66 LEU HG . . 4.410 3.515 2.299 4.452 0.042 4 0 "[ . 1 . 2]" 1
845 1 42 ALA H 1 42 ALA MB . . 3.050 2.903 2.866 2.921 . 0 0 "[ . 1 . 2]" 1
846 1 42 ALA H 1 43 ASN H . . 3.610 2.151 1.899 2.363 . 0 0 "[ . 1 . 2]" 1
847 1 42 ALA H 1 43 ASN HB2 . . 5.500 3.819 3.576 4.196 . 0 0 "[ . 1 . 2]" 1
848 1 42 ALA H 1 43 ASN HB3 . . 5.500 4.267 3.765 4.899 . 0 0 "[ . 1 . 2]" 1
849 1 42 ALA H 1 47 ASN HD21 . . 5.500 4.030 3.814 4.232 . 0 0 "[ . 1 . 2]" 1
850 1 42 ALA H 1 47 ASN HD22 . . 5.500 2.510 2.240 2.799 . 0 0 "[ . 1 . 2]" 1
851 1 42 ALA HA 1 44 ARG H . . 5.500 4.804 4.490 4.990 . 0 0 "[ . 1 . 2]" 1
852 1 42 ALA HA 1 47 ASN HD21 . . 5.500 4.219 4.076 4.362 . 0 0 "[ . 1 . 2]" 1
853 1 42 ALA HA 1 47 ASN HD22 . . 5.010 3.359 3.124 3.607 . 0 0 "[ . 1 . 2]" 1
854 1 42 ALA MB 1 43 ASN H . . 4.010 2.487 2.235 2.813 . 0 0 "[ . 1 . 2]" 1
855 1 42 ALA MB 1 43 ASN HB2 . . 5.180 4.114 3.955 4.280 . 0 0 "[ . 1 . 2]" 1
856 1 42 ALA MB 1 43 ASN HB3 . . 5.070 5.083 4.876 5.219 0.149 5 0 "[ . 1 . 2]" 1
857 1 43 ASN H 1 43 ASN HB2 . . 3.510 2.134 2.060 2.406 . 0 0 "[ . 1 . 2]" 1
858 1 43 ASN H 1 43 ASN HB3 . . 3.610 3.064 2.546 3.513 . 0 0 "[ . 1 . 2]" 1
859 1 43 ASN H 1 43 ASN HD21 . . 5.500 4.503 4.124 4.948 . 0 0 "[ . 1 . 2]" 1
860 1 43 ASN H 1 44 ARG H . . 4.990 4.229 4.113 4.284 . 0 0 "[ . 1 . 2]" 1
861 1 43 ASN H 1 44 ARG HA . . 5.500 5.338 5.210 5.416 . 0 0 "[ . 1 . 2]" 1
862 1 43 ASN H 1 46 ALA H . . 5.500 5.525 5.494 5.556 0.056 19 0 "[ . 1 . 2]" 1
863 1 43 ASN H 1 46 ALA MB . . 4.720 4.344 4.218 4.450 . 0 0 "[ . 1 . 2]" 1
864 1 43 ASN H 1 47 ASN H . . 5.400 5.131 4.899 5.292 . 0 0 "[ . 1 . 2]" 1
865 1 43 ASN H 1 47 ASN HD21 . . 5.410 4.985 4.548 5.380 . 0 0 "[ . 1 . 2]" 1
866 1 43 ASN H 1 47 ASN HD22 . . 4.900 3.981 3.637 4.223 . 0 0 "[ . 1 . 2]" 1
867 1 43 ASN HA 1 46 ALA H . . 5.500 4.091 4.004 4.286 . 0 0 "[ . 1 . 2]" 1
868 1 43 ASN HB2 1 44 ARG H . . 5.380 4.720 4.667 4.741 . 0 0 "[ . 1 . 2]" 1
869 1 43 ASN HB2 1 46 ALA H . . 4.510 4.283 3.972 4.517 0.007 7 0 "[ . 1 . 2]" 1
870 1 43 ASN HB2 1 46 ALA MB . . 3.340 2.968 2.537 3.193 . 0 0 "[ . 1 . 2]" 1
871 1 43 ASN HB2 1 47 ASN H . . 5.050 4.582 3.957 4.999 . 0 0 "[ . 1 . 2]" 1
872 1 43 ASN HB3 1 44 ARG H . . 4.850 4.275 4.002 4.513 . 0 0 "[ . 1 . 2]" 1
873 1 43 ASN HB3 1 45 ASP H . . 5.500 4.636 4.036 5.432 . 0 0 "[ . 1 . 2]" 1
874 1 43 ASN HB3 1 46 ALA H . . 4.820 2.840 2.267 3.539 . 0 0 "[ . 1 . 2]" 1
875 1 43 ASN HB3 1 46 ALA MB . . 3.820 1.859 1.772 1.969 . 0 0 "[ . 1 . 2]" 1
876 1 43 ASN HB3 1 47 ASN H . . 5.500 3.035 2.825 3.453 . 0 0 "[ . 1 . 2]" 1
877 1 43 ASN HD21 1 46 ALA H . . 5.230 3.570 1.901 4.542 . 0 0 "[ . 1 . 2]" 1
878 1 43 ASN HD21 1 46 ALA MB . . 4.140 2.562 2.056 2.948 . 0 0 "[ . 1 . 2]" 1
879 1 43 ASN HD22 1 45 ASP HB2 . . 5.250 4.349 2.341 5.256 0.006 14 0 "[ . 1 . 2]" 1
880 1 43 ASN HD22 1 45 ASP HB3 . . 5.500 4.857 3.563 5.492 . 0 0 "[ . 1 . 2]" 1
881 1 43 ASN HD22 1 46 ALA H . . 4.990 3.843 2.827 4.502 . 0 0 "[ . 1 . 2]" 1
882 1 43 ASN HD22 1 46 ALA MB . . 4.200 2.948 2.231 3.477 . 0 0 "[ . 1 . 2]" 1
883 1 44 ARG H 1 44 ARG HB2 . . 3.550 2.595 2.510 2.694 . 0 0 "[ . 1 . 2]" 1
884 1 44 ARG H 1 44 ARG HB3 . . 3.420 2.369 2.289 2.466 . 0 0 "[ . 1 . 2]" 1
885 1 44 ARG H 1 44 ARG QD . . 4.870 4.428 4.320 4.713 . 0 0 "[ . 1 . 2]" 1
886 1 44 ARG H 1 44 ARG HG2 . . 4.620 4.324 4.260 4.391 . 0 0 "[ . 1 . 2]" 1
887 1 44 ARG H 1 44 ARG HG3 . . 5.450 4.487 4.446 4.504 . 0 0 "[ . 1 . 2]" 1
888 1 44 ARG H 1 45 ASP H . . 3.860 2.792 2.620 3.055 . 0 0 "[ . 1 . 2]" 1
889 1 44 ARG H 1 46 ALA H . . 5.500 4.313 4.108 4.789 . 0 0 "[ . 1 . 2]" 1
890 1 44 ARG H 1 47 ASN HD21 . . 5.500 4.291 3.806 4.720 . 0 0 "[ . 1 . 2]" 1
891 1 44 ARG HA 1 44 ARG QD . . 4.610 4.237 4.204 4.283 . 0 0 "[ . 1 . 2]" 1
892 1 44 ARG HA 1 44 ARG HG2 . . 3.860 3.125 2.955 3.283 . 0 0 "[ . 1 . 2]" 1
893 1 44 ARG HA 1 44 ARG HG3 . . 3.300 2.761 2.718 2.876 . 0 0 "[ . 1 . 2]" 1
894 1 44 ARG HA 1 45 ASP HA . . 5.150 4.841 4.807 4.896 . 0 0 "[ . 1 . 2]" 1
895 1 44 ARG HA 1 46 ALA H . . 5.500 4.621 4.321 5.038 . 0 0 "[ . 1 . 2]" 1
896 1 44 ARG HA 1 47 ASN H . . 4.120 3.340 3.105 3.555 . 0 0 "[ . 1 . 2]" 1
897 1 44 ARG HA 1 47 ASN HA . . 5.500 5.062 4.866 5.211 . 0 0 "[ . 1 . 2]" 1
898 1 44 ARG HA 1 47 ASN HB2 . . 3.430 2.190 2.009 2.333 . 0 0 "[ . 1 . 2]" 1
899 1 44 ARG HA 1 47 ASN HB3 . . 4.180 3.724 3.570 3.852 . 0 0 "[ . 1 . 2]" 1
900 1 44 ARG HA 1 47 ASN HD21 . . 3.670 2.341 1.961 2.617 . 0 0 "[ . 1 . 2]" 1
901 1 44 ARG HA 1 47 ASN HD22 . . 4.310 3.706 3.569 3.817 . 0 0 "[ . 1 . 2]" 1
902 1 44 ARG HA 1 48 LEU H . . 4.930 3.917 3.793 4.033 . 0 0 "[ . 1 . 2]" 1
903 1 44 ARG HB2 1 44 ARG QD . . 3.410 2.598 2.476 2.705 . 0 0 "[ . 1 . 2]" 1
904 1 44 ARG HB2 1 45 ASP H . . 4.580 3.898 3.689 4.034 . 0 0 "[ . 1 . 2]" 1
905 1 44 ARG HB3 1 44 ARG QD . . 3.680 2.380 2.229 2.826 . 0 0 "[ . 1 . 2]" 1
906 1 44 ARG HB3 1 45 ASP H . . 4.120 2.502 2.178 2.693 . 0 0 "[ . 1 . 2]" 1
907 1 44 ARG HB3 1 46 ALA H . . 5.500 5.111 4.803 5.408 . 0 0 "[ . 1 . 2]" 1
908 1 44 ARG HB3 1 47 ASN HD21 . . 5.500 5.240 4.861 5.509 0.009 17 0 "[ . 1 . 2]" 1
909 1 44 ARG QD 1 45 ASP H . . 5.300 4.248 4.116 4.373 . 0 0 "[ . 1 . 2]" 1
910 1 44 ARG QD 1 45 ASP HA . . 4.830 4.515 4.424 4.623 . 0 0 "[ . 1 . 2]" 1
911 1 44 ARG HG2 1 45 ASP H . . 5.130 3.372 2.872 3.509 . 0 0 "[ . 1 . 2]" 1
912 1 44 ARG HG2 1 45 ASP HA . . 3.890 3.231 2.952 3.300 . 0 0 "[ . 1 . 2]" 1
913 1 44 ARG HG3 1 45 ASP H . . 4.650 4.562 4.194 4.671 0.021 11 0 "[ . 1 . 2]" 1
914 1 44 ARG HG3 1 45 ASP HA . . 4.940 4.877 4.652 4.964 0.024 1 0 "[ . 1 . 2]" 1
915 1 44 ARG HG3 1 47 ASN HB2 . . 5.500 3.996 3.929 4.108 . 0 0 "[ . 1 . 2]" 1
916 1 45 ASP H 1 45 ASP HB2 . . 3.650 2.105 2.002 2.394 . 0 0 "[ . 1 . 2]" 1
917 1 45 ASP H 1 45 ASP HB3 . . 3.490 3.384 3.195 3.537 0.047 4 0 "[ . 1 . 2]" 1
918 1 45 ASP H 1 46 ALA H . . 3.430 2.860 2.732 3.039 . 0 0 "[ . 1 . 2]" 1
919 1 45 ASP H 1 46 ALA HA . . 5.500 5.367 5.274 5.502 0.002 1 0 "[ . 1 . 2]" 1
920 1 45 ASP H 1 46 ALA MB . . 4.500 4.398 4.270 4.601 0.101 1 0 "[ . 1 . 2]" 1
921 1 45 ASP H 1 47 ASN H . . 4.740 4.114 3.939 4.346 . 0 0 "[ . 1 . 2]" 1
922 1 45 ASP H 1 48 LEU H . . 5.500 4.548 4.503 4.629 . 0 0 "[ . 1 . 2]" 1
923 1 45 ASP HA 1 46 ALA MB . . 5.390 5.041 5.028 5.059 . 0 0 "[ . 1 . 2]" 1
924 1 45 ASP HA 1 47 ASN H . . 4.820 4.610 4.472 4.708 . 0 0 "[ . 1 . 2]" 1
925 1 45 ASP HA 1 48 LEU H . . 3.970 3.493 3.422 3.562 . 0 0 "[ . 1 . 2]" 1
926 1 45 ASP HA 1 48 LEU HB2 . . 4.630 3.098 3.042 3.130 . 0 0 "[ . 1 . 2]" 1
927 1 45 ASP HA 1 48 LEU HB3 . . 3.760 3.354 3.235 3.428 . 0 0 "[ . 1 . 2]" 1
928 1 45 ASP HA 1 48 LEU MD1 . . 5.130 5.132 5.089 5.156 0.026 19 0 "[ . 1 . 2]" 1
929 1 45 ASP HA 1 48 LEU MD2 . . 4.500 3.569 3.480 3.638 . 0 0 "[ . 1 . 2]" 1
930 1 45 ASP HA 1 48 LEU HG . . 5.450 5.436 5.344 5.470 0.020 17 0 "[ . 1 . 2]" 1
931 1 45 ASP HA 1 49 GLN H . . 4.660 3.827 3.705 3.964 . 0 0 "[ . 1 . 2]" 1
932 1 45 ASP HB2 1 46 ALA H . . 3.680 2.719 2.274 3.085 . 0 0 "[ . 1 . 2]" 1
933 1 45 ASP HB2 1 46 ALA HA . . 5.160 4.769 4.255 5.068 . 0 0 "[ . 1 . 2]" 1
934 1 45 ASP HB2 1 46 ALA MB . . 4.520 4.080 3.671 4.409 . 0 0 "[ . 1 . 2]" 1
935 1 45 ASP HB3 1 46 ALA H . . 3.670 2.853 2.428 3.440 . 0 0 "[ . 1 . 2]" 1
936 1 45 ASP HB3 1 46 ALA HA . . 4.920 3.786 3.628 4.189 . 0 0 "[ . 1 . 2]" 1
937 1 45 ASP HB3 1 46 ALA MB . . 4.980 3.942 3.742 4.459 . 0 0 "[ . 1 . 2]" 1
938 1 46 ALA H 1 46 ALA MB . . 2.870 2.032 1.958 2.163 . 0 0 "[ . 1 . 2]" 1
939 1 46 ALA H 1 47 ASN H . . 3.300 2.684 2.576 2.862 . 0 0 "[ . 1 . 2]" 1
940 1 46 ALA H 1 47 ASN HA . . 5.500 5.185 5.096 5.327 . 0 0 "[ . 1 . 2]" 1
941 1 46 ALA H 1 47 ASN HB2 . . 5.500 4.648 4.500 4.833 . 0 0 "[ . 1 . 2]" 1
942 1 46 ALA H 1 48 LEU H . . 4.760 4.048 3.906 4.240 . 0 0 "[ . 1 . 2]" 1
943 1 46 ALA H 1 49 GLN H . . 5.030 4.753 4.663 4.817 . 0 0 "[ . 1 . 2]" 1
944 1 46 ALA H 1 65 LEU MD2 . . 5.200 4.707 4.497 5.025 . 0 0 "[ . 1 . 2]" 1
945 1 46 ALA HA 1 48 LEU H . . 4.920 4.246 4.052 4.381 . 0 0 "[ . 1 . 2]" 1
946 1 46 ALA HA 1 49 GLN H . . 3.850 3.544 3.425 3.634 . 0 0 "[ . 1 . 2]" 1
947 1 46 ALA HA 1 49 GLN HB3 . . 3.300 2.533 2.396 2.642 . 0 0 "[ . 1 . 2]" 1
948 1 46 ALA HA 1 49 GLN HE21 . . 5.500 3.521 2.090 5.260 . 0 0 "[ . 1 . 2]" 1
949 1 46 ALA HA 1 49 GLN HG2 . . 4.630 3.287 3.109 3.351 . 0 0 "[ . 1 . 2]" 1
950 1 46 ALA HA 1 49 GLN HG3 . . 4.780 4.762 4.632 4.793 0.013 3 0 "[ . 1 . 2]" 1
951 1 46 ALA HA 1 50 ALA H . . 4.660 4.021 3.844 4.195 . 0 0 "[ . 1 . 2]" 1
952 1 46 ALA HA 1 65 LEU MD2 . . 4.610 3.796 3.677 3.971 . 0 0 "[ . 1 . 2]" 1
953 1 46 ALA MB 1 47 ASN H . . 3.260 2.563 2.463 2.674 . 0 0 "[ . 1 . 2]" 1
954 1 46 ALA MB 1 47 ASN HA . . 4.540 3.685 3.634 3.787 . 0 0 "[ . 1 . 2]" 1
955 1 46 ALA MB 1 47 ASN HB2 . . 5.440 4.535 4.435 4.632 . 0 0 "[ . 1 . 2]" 1
956 1 46 ALA MB 1 48 LEU H . . 5.030 4.455 4.348 4.544 . 0 0 "[ . 1 . 2]" 1
957 1 46 ALA MB 1 49 GLN H . . 4.850 4.818 4.744 4.878 0.028 16 0 "[ . 1 . 2]" 1
958 1 46 ALA MB 1 49 GLN HB3 . . 4.750 4.185 4.069 4.282 . 0 0 "[ . 1 . 2]" 1
959 1 46 ALA MB 1 50 ALA H . . 5.190 4.676 4.532 4.815 . 0 0 "[ . 1 . 2]" 1
960 1 46 ALA MB 1 65 LEU MD1 . . 4.750 4.229 3.912 4.394 . 0 0 "[ . 1 . 2]" 1
961 1 46 ALA MB 1 65 LEU MD2 . . 3.180 2.503 2.329 2.773 . 0 0 "[ . 1 . 2]" 1
962 1 47 ASN H 1 47 ASN HB2 . . 3.450 2.334 2.279 2.383 . 0 0 "[ . 1 . 2]" 1
963 1 47 ASN H 1 47 ASN HB3 . . 4.020 3.529 3.515 3.539 . 0 0 "[ . 1 . 2]" 1
964 1 47 ASN H 1 47 ASN HD21 . . 4.950 3.858 3.505 4.177 . 0 0 "[ . 1 . 2]" 1
965 1 47 ASN H 1 47 ASN HD22 . . 5.270 4.332 4.166 4.490 . 0 0 "[ . 1 . 2]" 1
966 1 47 ASN H 1 48 LEU H . . 3.380 2.725 2.655 2.786 . 0 0 "[ . 1 . 2]" 1
967 1 47 ASN H 1 48 LEU HB2 . . 5.440 4.627 4.555 4.700 . 0 0 "[ . 1 . 2]" 1
968 1 47 ASN H 1 48 LEU HB3 . . 5.500 5.459 5.393 5.513 0.013 18 0 "[ . 1 . 2]" 1
969 1 47 ASN H 1 49 GLN H . . 5.040 4.592 4.507 4.662 . 0 0 "[ . 1 . 2]" 1
970 1 47 ASN H 1 50 ALA H . . 5.500 4.803 4.699 4.884 . 0 0 "[ . 1 . 2]" 1
971 1 47 ASN H 1 65 LEU MD1 . . 5.360 4.133 3.930 4.239 . 0 0 "[ . 1 . 2]" 1
972 1 47 ASN H 1 65 LEU MD2 . . 4.660 3.289 2.989 3.684 . 0 0 "[ . 1 . 2]" 1
973 1 47 ASN HA 1 47 ASN HD22 . . 5.500 4.609 4.546 4.652 . 0 0 "[ . 1 . 2]" 1
974 1 47 ASN HA 1 49 GLN H . . 5.180 5.181 5.088 5.205 0.025 19 0 "[ . 1 . 2]" 1
975 1 47 ASN HA 1 50 ALA H . . 4.280 3.805 3.747 3.847 . 0 0 "[ . 1 . 2]" 1
976 1 47 ASN HA 1 50 ALA MB . . 3.620 3.040 2.875 3.135 . 0 0 "[ . 1 . 2]" 1
977 1 47 ASN HA 1 51 LEU H . . 4.940 4.049 3.848 4.262 . 0 0 "[ . 1 . 2]" 1
978 1 47 ASN HA 1 51 LEU MD1 . . 5.400 3.424 3.245 3.644 . 0 0 "[ . 1 . 2]" 1
979 1 47 ASN HA 1 65 LEU MD1 . . 3.340 1.936 1.888 1.965 . 0 0 "[ . 1 . 2]" 1
980 1 47 ASN HA 1 65 LEU MD2 . . 3.250 2.014 1.812 2.357 . 0 0 "[ . 1 . 2]" 1
981 1 47 ASN HA 1 65 LEU HG . . 4.660 3.704 3.533 3.950 . 0 0 "[ . 1 . 2]" 1
982 1 47 ASN HB2 1 48 LEU H . . 3.590 2.676 2.559 2.824 . 0 0 "[ . 1 . 2]" 1
983 1 47 ASN HB2 1 48 LEU HA . . 4.930 4.406 4.311 4.502 . 0 0 "[ . 1 . 2]" 1
984 1 47 ASN HB3 1 48 LEU H . . 4.110 3.526 3.397 3.622 . 0 0 "[ . 1 . 2]" 1
985 1 47 ASN HB3 1 50 ALA MB . . 5.450 4.795 4.668 4.867 . 0 0 "[ . 1 . 2]" 1
986 1 47 ASN HB3 1 51 LEU H . . 5.500 4.777 4.607 4.898 . 0 0 "[ . 1 . 2]" 1
987 1 47 ASN HB3 1 51 LEU MD1 . . 4.250 2.148 1.943 2.418 . 0 0 "[ . 1 . 2]" 1
988 1 47 ASN HB3 1 65 LEU MD1 . . 4.930 3.249 3.047 3.510 . 0 0 "[ . 1 . 2]" 1
989 1 47 ASN HB3 1 65 LEU MD2 . . 4.600 4.214 3.960 4.511 . 0 0 "[ . 1 . 2]" 1
990 1 47 ASN HD21 1 48 LEU H . . 5.500 4.948 4.745 5.183 . 0 0 "[ . 1 . 2]" 1
991 1 48 LEU H 1 48 LEU HB2 . . 3.220 2.103 2.064 2.145 . 0 0 "[ . 1 . 2]" 1
992 1 48 LEU H 1 48 LEU HB3 . . 3.330 2.900 2.873 2.936 . 0 0 "[ . 1 . 2]" 1
993 1 48 LEU H 1 48 LEU MD1 . . 4.310 3.522 3.402 3.574 . 0 0 "[ . 1 . 2]" 1
994 1 48 LEU H 1 48 LEU MD2 . . 4.330 4.064 4.003 4.093 . 0 0 "[ . 1 . 2]" 1
995 1 48 LEU H 1 49 GLN H . . 3.460 2.767 2.681 2.843 . 0 0 "[ . 1 . 2]" 1
996 1 48 LEU H 1 49 GLN HB3 . . 5.350 4.370 4.285 4.459 . 0 0 "[ . 1 . 2]" 1
997 1 48 LEU H 1 50 ALA H . . 5.000 3.857 3.753 3.905 . 0 0 "[ . 1 . 2]" 1
998 1 48 LEU H 1 51 LEU H . . 5.500 4.402 4.318 4.491 . 0 0 "[ . 1 . 2]" 1
999 1 48 LEU H 1 51 LEU MD1 . . 5.110 3.543 3.421 3.722 . 0 0 "[ . 1 . 2]" 1
1000 1 48 LEU HA 1 48 LEU MD1 . . 2.960 1.872 1.861 1.884 . 0 0 "[ . 1 . 2]" 1
1001 1 48 LEU HA 1 48 LEU MD2 . . 3.980 3.724 3.711 3.732 . 0 0 "[ . 1 . 2]" 1
1002 1 48 LEU HA 1 48 LEU HG . . 4.200 2.936 2.916 2.954 . 0 0 "[ . 1 . 2]" 1
1003 1 48 LEU HA 1 50 ALA H . . 4.940 3.982 3.823 4.095 . 0 0 "[ . 1 . 2]" 1
1004 1 48 LEU HA 1 51 LEU H . . 3.970 3.041 2.957 3.173 . 0 0 "[ . 1 . 2]" 1
1005 1 48 LEU HA 1 51 LEU HB2 . . 3.490 2.055 1.991 2.142 . 0 0 "[ . 1 . 2]" 1
1006 1 48 LEU HA 1 51 LEU HB3 . . 4.350 3.661 3.584 3.752 . 0 0 "[ . 1 . 2]" 1
1007 1 48 LEU HA 1 51 LEU MD1 . . 3.490 2.031 1.969 2.169 . 0 0 "[ . 1 . 2]" 1
1008 1 48 LEU HA 1 51 LEU MD2 . . 4.710 4.455 4.398 4.534 . 0 0 "[ . 1 . 2]" 1
1009 1 48 LEU HA 1 51 LEU HG . . 4.480 4.179 4.097 4.304 . 0 0 "[ . 1 . 2]" 1
1010 1 48 LEU HA 1 52 VAL H . . 4.760 3.356 3.266 3.470 . 0 0 "[ . 1 . 2]" 1
1011 1 48 LEU HA 1 52 VAL MG1 . . 4.520 3.461 3.256 3.612 . 0 0 "[ . 1 . 2]" 1
1012 1 48 LEU HB2 1 48 LEU MD2 . . 3.380 2.307 2.240 2.333 . 0 0 "[ . 1 . 2]" 1
1013 1 48 LEU HB2 1 49 GLN H . . 3.890 3.301 3.261 3.360 . 0 0 "[ . 1 . 2]" 1
1014 1 48 LEU HB2 1 49 GLN HA . . 4.930 5.337 5.322 5.354 0.424 13 0 "[ . 1 . 2]" 1
1015 1 48 LEU HB2 1 49 GLN HB3 . . 5.360 5.263 5.208 5.341 . 0 0 "[ . 1 . 2]" 1
1016 1 48 LEU HB2 1 50 ALA H . . 5.500 5.229 5.146 5.279 . 0 0 "[ . 1 . 2]" 1
1017 1 48 LEU HB2 1 52 VAL MG1 . . 5.310 4.624 4.477 4.747 . 0 0 "[ . 1 . 2]" 1
1018 1 48 LEU HB3 1 48 LEU MD2 . . 3.330 2.407 2.391 2.442 . 0 0 "[ . 1 . 2]" 1
1019 1 48 LEU HB3 1 49 GLN H . . 3.470 2.288 2.263 2.355 . 0 0 "[ . 1 . 2]" 1
1020 1 48 LEU HB3 1 49 GLN HA . . 4.990 3.794 3.783 3.811 . 0 0 "[ . 1 . 2]" 1
1021 1 48 LEU HB3 1 49 GLN HB3 . . 4.560 4.239 4.197 4.321 . 0 0 "[ . 1 . 2]" 1
1022 1 48 LEU HB3 1 52 VAL MG1 . . 5.020 3.686 3.535 3.791 . 0 0 "[ . 1 . 2]" 1
1023 1 48 LEU MD1 1 49 GLN H . . 4.770 4.519 4.497 4.537 . 0 0 "[ . 1 . 2]" 1
1024 1 48 LEU MD1 1 51 LEU H . . 4.830 4.153 3.999 4.329 . 0 0 "[ . 1 . 2]" 1
1025 1 48 LEU MD1 1 51 LEU HB2 . . 3.930 2.501 2.292 2.752 . 0 0 "[ . 1 . 2]" 1
1026 1 48 LEU MD1 1 51 LEU HB3 . . 5.090 3.193 3.029 3.421 . 0 0 "[ . 1 . 2]" 1
1027 1 48 LEU MD1 1 51 LEU MD1 . . 4.040 2.342 2.206 2.471 . 0 0 "[ . 1 . 2]" 1
1028 1 48 LEU MD1 1 52 VAL H . . 4.850 3.517 3.334 3.625 . 0 0 "[ . 1 . 2]" 1
1029 1 48 LEU MD1 1 52 VAL MG1 . . 2.790 2.695 2.577 2.800 0.010 4 0 "[ . 1 . 2]" 1
1030 1 48 LEU MD2 1 49 GLN H . . 4.930 4.364 4.343 4.424 . 0 0 "[ . 1 . 2]" 1
1031 1 48 LEU MD2 1 51 LEU MD1 . . 4.970 4.433 4.346 4.527 . 0 0 "[ . 1 . 2]" 1
1032 1 48 LEU HG 1 49 GLN H . . 4.530 4.273 4.252 4.307 . 0 0 "[ . 1 . 2]" 1
1033 1 48 LEU HG 1 49 GLN HA . . 4.590 4.733 4.722 4.761 0.171 10 0 "[ . 1 . 2]" 1
1034 1 48 LEU HG 1 52 VAL H . . 5.230 4.024 3.798 4.182 . 0 0 "[ . 1 . 2]" 1
1035 1 48 LEU HG 1 52 VAL MG1 . . 3.600 2.359 2.175 2.462 . 0 0 "[ . 1 . 2]" 1
1036 1 48 LEU HG 1 52 VAL MG2 . . 5.190 3.650 3.535 3.804 . 0 0 "[ . 1 . 2]" 1
1037 1 49 GLN H 1 49 GLN HB3 . . 3.000 2.080 2.073 2.086 . 0 0 "[ . 1 . 2]" 1
1038 1 49 GLN H 1 49 GLN HG2 . . 3.810 3.830 3.793 3.852 0.042 11 0 "[ . 1 . 2]" 1
1039 1 49 GLN H 1 49 GLN HG3 . . 4.070 4.365 4.358 4.371 0.301 2 0 "[ . 1 . 2]" 1
1040 1 49 GLN H 1 50 ALA H . . 3.320 2.951 2.920 2.979 . 0 0 "[ . 1 . 2]" 1
1041 1 49 GLN H 1 50 ALA HA . . 5.500 5.452 5.430 5.472 . 0 0 "[ . 1 . 2]" 1
1042 1 49 GLN H 1 50 ALA MB . . 4.630 4.547 4.524 4.572 . 0 0 "[ . 1 . 2]" 1
1043 1 49 GLN H 1 51 LEU H . . 4.980 4.441 4.270 4.507 . 0 0 "[ . 1 . 2]" 1
1044 1 49 GLN H 1 52 VAL H . . 5.450 4.797 4.739 4.889 . 0 0 "[ . 1 . 2]" 1
1045 1 49 GLN H 1 52 VAL MG1 . . 4.930 4.527 4.450 4.609 . 0 0 "[ . 1 . 2]" 1
1046 1 49 GLN H 1 52 VAL MG2 . . 4.780 3.754 3.631 3.924 . 0 0 "[ . 1 . 2]" 1
1047 1 49 GLN H 1 65 LEU MD2 . . 5.370 5.061 4.865 5.319 . 0 0 "[ . 1 . 2]" 1
1048 1 49 GLN HA 1 49 GLN HB2 . . 2.910 2.256 2.255 2.258 . 0 0 "[ . 1 . 2]" 1
1049 1 49 GLN HA 1 49 GLN HG2 . . 3.990 3.773 3.771 3.776 . 0 0 "[ . 1 . 2]" 1
1050 1 49 GLN HA 1 49 GLN HG3 . . 3.860 3.133 3.109 3.165 . 0 0 "[ . 1 . 2]" 1
1051 1 49 GLN HA 1 50 ALA HA . . 5.100 4.706 4.686 4.723 . 0 0 "[ . 1 . 2]" 1
1052 1 49 GLN HA 1 50 ALA MB . . 5.120 4.984 4.966 4.998 . 0 0 "[ . 1 . 2]" 1
1053 1 49 GLN HA 1 51 LEU H . . 5.090 4.841 4.638 4.907 . 0 0 "[ . 1 . 2]" 1
1054 1 49 GLN HA 1 52 VAL H . . 4.070 4.008 3.906 4.083 0.013 10 0 "[ . 1 . 2]" 1
1055 1 49 GLN HA 1 52 VAL MG1 . . 3.730 3.700 3.609 3.736 0.006 18 0 "[ . 1 . 2]" 1
1056 1 49 GLN HA 1 52 VAL MG2 . . 4.310 2.056 1.960 2.165 . 0 0 "[ . 1 . 2]" 1
1057 1 49 GLN HA 1 53 ALA H . . 4.550 4.360 4.129 4.549 . 0 0 "[ . 1 . 2]" 1
1058 1 49 GLN HA 1 53 ALA MB . . 5.190 4.407 4.340 4.473 . 0 0 "[ . 1 . 2]" 1
1059 1 49 GLN HB2 1 52 VAL MG2 . . 5.150 3.846 3.748 3.933 . 0 0 "[ . 1 . 2]" 1
1060 1 49 GLN HB2 1 53 ALA MB . . 5.500 5.329 5.221 5.406 . 0 0 "[ . 1 . 2]" 1
1061 1 49 GLN HB3 1 50 ALA H . . 3.510 3.289 3.246 3.363 . 0 0 "[ . 1 . 2]" 1
1062 1 49 GLN HB3 1 50 ALA HA . . 5.240 5.158 5.127 5.181 . 0 0 "[ . 1 . 2]" 1
1063 1 49 GLN HB3 1 50 ALA MB . . 4.370 4.443 4.424 4.458 0.088 13 0 "[ . 1 . 2]" 1
1064 1 49 GLN HB3 1 65 LEU MD2 . . 5.370 4.930 4.752 5.123 . 0 0 "[ . 1 . 2]" 1
1065 1 49 GLN HG2 1 50 ALA H . . 5.200 2.738 2.591 2.878 . 0 0 "[ . 1 . 2]" 1
1066 1 49 GLN HG2 1 50 ALA HA . . 5.430 3.351 3.309 3.410 . 0 0 "[ . 1 . 2]" 1
1067 1 49 GLN HG2 1 50 ALA MB . . 5.280 3.044 2.949 3.107 . 0 0 "[ . 1 . 2]" 1
1068 1 49 GLN HG2 1 52 VAL MG2 . . 5.240 4.677 4.607 4.747 . 0 0 "[ . 1 . 2]" 1
1069 1 49 GLN HG3 1 50 ALA H . . 5.160 3.610 3.510 3.706 . 0 0 "[ . 1 . 2]" 1
1070 1 49 GLN HG3 1 50 ALA HA . . 4.790 3.375 3.316 3.430 . 0 0 "[ . 1 . 2]" 1
1071 1 49 GLN HG3 1 50 ALA MB . . 4.280 4.038 3.947 4.093 . 0 0 "[ . 1 . 2]" 1
1072 1 49 GLN HG3 1 52 VAL MG2 . . 4.880 3.913 3.845 3.964 . 0 0 "[ . 1 . 2]" 1
1073 1 49 GLN HG3 1 53 ALA MB . . 5.100 3.587 3.451 3.673 . 0 0 "[ . 1 . 2]" 1
1074 1 50 ALA H 1 50 ALA MB . . 2.910 2.118 2.065 2.181 . 0 0 "[ . 1 . 2]" 1
1075 1 50 ALA H 1 51 LEU H . . 3.230 2.472 2.418 2.548 . 0 0 "[ . 1 . 2]" 1
1076 1 50 ALA H 1 51 LEU HB2 . . 5.070 4.311 4.227 4.390 . 0 0 "[ . 1 . 2]" 1
1077 1 50 ALA H 1 51 LEU MD1 . . 5.500 4.433 4.290 4.584 . 0 0 "[ . 1 . 2]" 1
1078 1 50 ALA H 1 52 VAL H . . 4.840 4.189 4.062 4.290 . 0 0 "[ . 1 . 2]" 1
1079 1 50 ALA H 1 52 VAL MG2 . . 5.500 3.880 3.801 3.997 . 0 0 "[ . 1 . 2]" 1
1080 1 50 ALA H 1 53 ALA MB . . 4.300 4.141 4.082 4.212 . 0 0 "[ . 1 . 2]" 1
1081 1 50 ALA H 1 61 ALA MB . . 5.280 4.518 4.484 4.570 . 0 0 "[ . 1 . 2]" 1
1082 1 50 ALA H 1 64 MET ME . . 5.500 4.569 4.055 4.886 . 0 0 "[ . 1 . 2]" 1
1083 1 50 ALA H 1 65 LEU MD1 . . 5.120 4.385 4.223 4.525 . 0 0 "[ . 1 . 2]" 1
1084 1 50 ALA H 1 65 LEU MD2 . . 4.460 3.283 3.125 3.524 . 0 0 "[ . 1 . 2]" 1
1085 1 50 ALA HA 1 51 LEU HA . . 5.300 4.831 4.801 4.854 . 0 0 "[ . 1 . 2]" 1
1086 1 50 ALA HA 1 52 VAL H . . 4.910 4.810 4.660 4.911 0.001 3 0 "[ . 1 . 2]" 1
1087 1 50 ALA HA 1 52 VAL MG2 . . 4.010 4.014 3.979 4.047 0.037 4 0 "[ . 1 . 2]" 1
1088 1 50 ALA HA 1 53 ALA H . . 3.890 3.289 3.220 3.370 . 0 0 "[ . 1 . 2]" 1
1089 1 50 ALA HA 1 53 ALA MB . . 3.060 2.048 1.970 2.153 . 0 0 "[ . 1 . 2]" 1
1090 1 50 ALA HA 1 54 THR H . . 4.850 4.481 4.236 4.674 . 0 0 "[ . 1 . 2]" 1
1091 1 50 ALA HA 1 54 THR MG . . 4.470 3.743 3.552 3.927 . 0 0 "[ . 1 . 2]" 1
1092 1 50 ALA HA 1 61 ALA HA . . 4.620 4.642 4.628 4.656 0.036 4 0 "[ . 1 . 2]" 1
1093 1 50 ALA HA 1 61 ALA MB . . 4.860 4.505 4.379 4.607 . 0 0 "[ . 1 . 2]" 1
1094 1 50 ALA HA 1 64 MET ME . . 3.590 2.294 1.847 2.584 . 0 0 "[ . 1 . 2]" 1
1095 1 50 ALA MB 1 51 LEU H . . 3.330 2.468 2.409 2.583 . 0 0 "[ . 1 . 2]" 1
1096 1 50 ALA MB 1 51 LEU HA . . 4.310 3.699 3.666 3.759 . 0 0 "[ . 1 . 2]" 1
1097 1 50 ALA MB 1 51 LEU MD1 . . 4.690 3.955 3.835 4.112 . 0 0 "[ . 1 . 2]" 1
1098 1 50 ALA MB 1 51 LEU MD2 . . 4.700 4.717 4.682 4.785 0.085 20 0 "[ . 1 . 2]" 1
1099 1 50 ALA MB 1 52 VAL H . . 4.980 4.736 4.671 4.803 . 0 0 "[ . 1 . 2]" 1
1100 1 50 ALA MB 1 53 ALA H . . 4.770 4.321 4.235 4.473 . 0 0 "[ . 1 . 2]" 1
1101 1 50 ALA MB 1 54 THR H . . 5.500 4.775 4.526 5.040 . 0 0 "[ . 1 . 2]" 1
1102 1 50 ALA MB 1 54 THR MG . . 4.250 3.377 3.101 3.643 . 0 0 "[ . 1 . 2]" 1
1103 1 50 ALA MB 1 61 ALA HA . . 3.370 2.834 2.750 2.967 . 0 0 "[ . 1 . 2]" 1
1104 1 50 ALA MB 1 61 ALA MB . . 3.170 2.270 2.101 2.410 . 0 0 "[ . 1 . 2]" 1
1105 1 50 ALA MB 1 64 MET H . . 4.920 4.474 4.333 4.657 . 0 0 "[ . 1 . 2]" 1
1106 1 50 ALA MB 1 64 MET HB2 . . 3.770 2.753 2.369 3.337 . 0 0 "[ . 1 . 2]" 1
1107 1 50 ALA MB 1 64 MET HB3 . . 3.750 2.406 2.218 2.708 . 0 0 "[ . 1 . 2]" 1
1108 1 50 ALA MB 1 64 MET ME . . 3.690 2.286 1.893 2.591 . 0 0 "[ . 1 . 2]" 1
1109 1 50 ALA MB 1 64 MET HG2 . . 5.160 4.561 3.916 5.008 . 0 0 "[ . 1 . 2]" 1
1110 1 50 ALA MB 1 64 MET HG3 . . 4.780 4.165 3.675 4.863 0.083 10 0 "[ . 1 . 2]" 1
1111 1 50 ALA MB 1 65 LEU H . . 4.310 3.889 3.718 4.205 . 0 0 "[ . 1 . 2]" 1
1112 1 50 ALA MB 1 65 LEU HA . . 4.270 3.921 3.762 4.102 . 0 0 "[ . 1 . 2]" 1
1113 1 50 ALA MB 1 65 LEU HB2 . . 4.630 4.425 4.311 4.575 . 0 0 "[ . 1 . 2]" 1
1114 1 50 ALA MB 1 65 LEU MD1 . . 3.490 2.579 2.411 2.755 . 0 0 "[ . 1 . 2]" 1
1115 1 50 ALA MB 1 65 LEU MD2 . . 2.840 1.882 1.794 1.929 . 0 0 "[ . 1 . 2]" 1
1116 1 50 ALA MB 1 65 LEU HG . . 3.350 2.338 2.237 2.475 . 0 0 "[ . 1 . 2]" 1
1117 1 51 LEU H 1 51 LEU HB2 . . 3.320 2.235 2.177 2.269 . 0 0 "[ . 1 . 2]" 1
1118 1 51 LEU H 1 51 LEU HB3 . . 3.850 3.487 3.463 3.500 . 0 0 "[ . 1 . 2]" 1
1119 1 51 LEU H 1 51 LEU MD1 . . 4.240 2.977 2.854 3.117 . 0 0 "[ . 1 . 2]" 1
1120 1 51 LEU H 1 51 LEU MD2 . . 4.200 4.064 4.029 4.096 . 0 0 "[ . 1 . 2]" 1
1121 1 51 LEU H 1 51 LEU HG . . 3.480 2.765 2.699 2.853 . 0 0 "[ . 1 . 2]" 1
1122 1 51 LEU H 1 52 VAL H . . 3.570 2.944 2.850 3.025 . 0 0 "[ . 1 . 2]" 1
1123 1 51 LEU H 1 52 VAL MG1 . . 4.590 4.388 4.257 4.568 . 0 0 "[ . 1 . 2]" 1
1124 1 51 LEU H 1 53 ALA H . . 4.450 3.817 3.735 3.923 . 0 0 "[ . 1 . 2]" 1
1125 1 51 LEU H 1 54 THR H . . 5.500 4.682 4.558 4.804 . 0 0 "[ . 1 . 2]" 1
1126 1 51 LEU H 1 54 THR HG1 . . 5.370 4.420 4.234 4.570 . 0 0 "[ . 1 . 2]" 1
1127 1 51 LEU H 1 61 ALA MB . . 4.210 3.047 2.958 3.176 . 0 0 "[ . 1 . 2]" 1
1128 1 51 LEU HA 1 51 LEU MD1 . . 4.480 3.745 3.726 3.760 . 0 0 "[ . 1 . 2]" 1
1129 1 51 LEU HA 1 51 LEU MD2 . . 3.000 2.644 2.548 2.769 . 0 0 "[ . 1 . 2]" 1
1130 1 51 LEU HA 1 51 LEU HG . . 3.690 2.397 2.362 2.419 . 0 0 "[ . 1 . 2]" 1
1131 1 51 LEU HA 1 53 ALA H . . 5.220 3.972 3.816 4.189 . 0 0 "[ . 1 . 2]" 1
1132 1 51 LEU HA 1 53 ALA MB . . 5.500 4.586 4.532 4.637 . 0 0 "[ . 1 . 2]" 1
1133 1 51 LEU HA 1 54 THR H . . 4.240 3.206 3.094 3.341 . 0 0 "[ . 1 . 2]" 1
1134 1 51 LEU HA 1 54 THR HB . . 5.500 4.770 4.649 4.865 . 0 0 "[ . 1 . 2]" 1
1135 1 51 LEU HA 1 54 THR HG1 . . 3.500 2.027 1.986 2.084 . 0 0 "[ . 1 . 2]" 1
1136 1 51 LEU HA 1 54 THR MG . . 4.480 2.906 2.564 3.409 . 0 0 "[ . 1 . 2]" 1
1137 1 51 LEU HA 1 55 ASP H . . 5.310 4.854 4.613 5.188 . 0 0 "[ . 1 . 2]" 1
1138 1 51 LEU HA 1 56 GLY H . . 4.060 3.455 3.288 3.616 . 0 0 "[ . 1 . 2]" 1
1139 1 51 LEU HA 1 56 GLY HA2 . . 4.660 3.460 3.291 3.635 . 0 0 "[ . 1 . 2]" 1
1140 1 51 LEU HA 1 56 GLY HA3 . . 5.250 5.100 4.940 5.258 0.008 19 0 "[ . 1 . 2]" 1
1141 1 51 LEU HA 1 57 ASP H . . 5.090 3.137 2.761 3.634 . 0 0 "[ . 1 . 2]" 1
1142 1 51 LEU HA 1 61 ALA MB . . 3.480 2.272 2.085 2.429 . 0 0 "[ . 1 . 2]" 1
1143 1 51 LEU HB2 1 51 LEU MD1 . . 3.270 1.948 1.924 1.969 . 0 0 "[ . 1 . 2]" 1
1144 1 51 LEU HB2 1 51 LEU MD2 . . 3.470 3.099 3.078 3.118 . 0 0 "[ . 1 . 2]" 1
1145 1 51 LEU HB2 1 52 VAL H . . 3.840 2.541 2.467 2.672 . 0 0 "[ . 1 . 2]" 1
1146 1 51 LEU HB2 1 52 VAL MG1 . . 4.230 3.305 3.222 3.465 . 0 0 "[ . 1 . 2]" 1
1147 1 51 LEU HB2 1 56 GLY H . . 5.500 4.853 4.587 5.175 . 0 0 "[ . 1 . 2]" 1
1148 1 51 LEU HB2 1 56 GLY HA2 . . 5.200 3.850 3.665 4.194 . 0 0 "[ . 1 . 2]" 1
1149 1 51 LEU HB2 1 61 ALA MB . . 5.500 3.949 3.807 4.057 . 0 0 "[ . 1 . 2]" 1
1150 1 51 LEU HB3 1 51 LEU MD1 . . 3.420 2.806 2.761 2.851 . 0 0 "[ . 1 . 2]" 1
1151 1 51 LEU HB3 1 52 VAL H . . 4.370 3.140 3.041 3.222 . 0 0 "[ . 1 . 2]" 1
1152 1 51 LEU HB3 1 52 VAL HA . . 5.170 4.098 4.051 4.141 . 0 0 "[ . 1 . 2]" 1
1153 1 51 LEU HB3 1 52 VAL MG1 . . 4.910 3.556 3.401 3.668 . 0 0 "[ . 1 . 2]" 1
1154 1 51 LEU HB3 1 56 GLY H . . 4.600 3.593 3.318 3.936 . 0 0 "[ . 1 . 2]" 1
1155 1 51 LEU HB3 1 56 GLY HA2 . . 4.200 2.152 1.998 2.481 . 0 0 "[ . 1 . 2]" 1
1156 1 51 LEU HB3 1 56 GLY HA3 . . 4.490 3.814 3.648 4.079 . 0 0 "[ . 1 . 2]" 1
1157 1 51 LEU MD1 1 52 VAL H . . 5.220 4.149 4.064 4.309 . 0 0 "[ . 1 . 2]" 1
1158 1 51 LEU MD1 1 56 GLY HA2 . . 5.480 4.398 4.229 4.584 . 0 0 "[ . 1 . 2]" 1
1159 1 51 LEU MD1 1 58 ILE HA . . 4.590 3.683 3.526 3.872 . 0 0 "[ . 1 . 2]" 1
1160 1 51 LEU MD1 1 61 ALA MB . . 4.460 3.152 2.966 3.322 . 0 0 "[ . 1 . 2]" 1
1161 1 51 LEU MD2 1 52 VAL H . . 5.110 4.702 4.604 4.762 . 0 0 "[ . 1 . 2]" 1
1162 1 51 LEU MD2 1 54 THR HG1 . . 4.330 3.729 3.558 3.950 . 0 0 "[ . 1 . 2]" 1
1163 1 51 LEU MD2 1 56 GLY H . . 4.150 4.017 3.731 4.159 0.009 10 0 "[ . 1 . 2]" 1
1164 1 51 LEU MD2 1 56 GLY HA2 . . 3.540 2.577 2.004 2.812 . 0 0 "[ . 1 . 2]" 1
1165 1 51 LEU MD2 1 56 GLY HA3 . . 3.940 3.704 3.230 3.948 0.008 18 0 "[ . 1 . 2]" 1
1166 1 51 LEU MD2 1 57 ASP H . . 4.660 3.178 2.639 3.532 . 0 0 "[ . 1 . 2]" 1
1167 1 51 LEU MD2 1 57 ASP HA . . 5.190 3.667 3.413 3.975 . 0 0 "[ . 1 . 2]" 1
1168 1 51 LEU MD2 1 58 ILE H . . 4.370 2.341 2.231 2.475 . 0 0 "[ . 1 . 2]" 1
1169 1 51 LEU MD2 1 58 ILE HA . . 3.330 1.902 1.790 1.966 . 0 0 "[ . 1 . 2]" 1
1170 1 51 LEU MD2 1 58 ILE HB . . 4.570 2.182 1.985 2.439 . 0 0 "[ . 1 . 2]" 1
1171 1 51 LEU MD2 1 58 ILE MD . . 3.810 2.901 2.535 3.376 . 0 0 "[ . 1 . 2]" 1
1172 1 51 LEU MD2 1 58 ILE HG12 . . 4.520 3.700 3.372 4.187 . 0 0 "[ . 1 . 2]" 1
1173 1 51 LEU MD2 1 58 ILE HG13 . . 4.300 2.390 1.977 3.024 . 0 0 "[ . 1 . 2]" 1
1174 1 51 LEU MD2 1 58 ILE MG . . 3.970 3.483 3.373 3.636 . 0 0 "[ . 1 . 2]" 1
1175 1 51 LEU MD2 1 61 ALA H . . 5.080 4.086 3.828 4.391 . 0 0 "[ . 1 . 2]" 1
1176 1 51 LEU MD2 1 61 ALA HA . . 5.140 4.894 4.666 5.096 . 0 0 "[ . 1 . 2]" 1
1177 1 51 LEU MD2 1 61 ALA MB . . 3.050 2.473 2.259 2.652 . 0 0 "[ . 1 . 2]" 1
1178 1 51 LEU HG 1 52 VAL H . . 5.380 4.743 4.709 4.803 . 0 0 "[ . 1 . 2]" 1
1179 1 51 LEU HG 1 61 ALA MB . . 3.170 2.014 1.854 2.200 . 0 0 "[ . 1 . 2]" 1
1180 1 52 VAL H 1 52 VAL MG1 . . 2.930 2.034 1.932 2.222 . 0 0 "[ . 1 . 2]" 1
1181 1 52 VAL H 1 52 VAL MG2 . . 3.620 2.159 2.083 2.264 . 0 0 "[ . 1 . 2]" 1
1182 1 52 VAL H 1 53 ALA H . . 3.430 2.702 2.615 2.759 . 0 0 "[ . 1 . 2]" 1
1183 1 52 VAL H 1 53 ALA MB . . 4.250 4.198 4.101 4.261 0.011 3 0 "[ . 1 . 2]" 1
1184 1 52 VAL H 1 54 THR H . . 5.170 4.131 4.024 4.327 . 0 0 "[ . 1 . 2]" 1
1185 1 52 VAL H 1 55 ASP H . . 5.500 4.869 4.635 5.160 . 0 0 "[ . 1 . 2]" 1
1186 1 52 VAL HA 1 52 VAL MG1 . . 3.000 2.395 2.281 2.429 . 0 0 "[ . 1 . 2]" 1
1187 1 52 VAL HA 1 52 VAL MG2 . . 3.180 3.208 3.204 3.212 0.032 2 0 "[ . 1 . 2]" 1
1188 1 52 VAL HA 1 53 ALA HA . . 5.140 4.757 4.709 4.810 . 0 0 "[ . 1 . 2]" 1
1189 1 52 VAL HA 1 53 ALA MB . . 5.090 4.955 4.930 4.973 . 0 0 "[ . 1 . 2]" 1
1190 1 52 VAL HA 1 54 THR H . . 4.860 4.009 3.752 4.365 . 0 0 "[ . 1 . 2]" 1
1191 1 52 VAL HA 1 55 ASP H . . 4.340 3.189 2.951 3.420 . 0 0 "[ . 1 . 2]" 1
1192 1 52 VAL HA 1 55 ASP HA . . 4.570 3.440 3.264 3.630 . 0 0 "[ . 1 . 2]" 1
1193 1 52 VAL HA 1 56 GLY H . . 4.810 2.970 2.492 3.479 . 0 0 "[ . 1 . 2]" 1
1194 1 52 VAL HB 1 53 ALA HA . . 5.500 4.645 4.532 4.749 . 0 0 "[ . 1 . 2]" 1
1195 1 52 VAL HB 1 55 ASP H . . 5.090 4.841 4.585 5.045 . 0 0 "[ . 1 . 2]" 1
1196 1 52 VAL MG1 1 53 ALA H . . 4.040 4.017 3.976 4.047 0.007 14 0 "[ . 1 . 2]" 1
1197 1 52 VAL MG1 1 54 THR H . . 5.430 5.201 5.060 5.424 . 0 0 "[ . 1 . 2]" 1
1198 1 52 VAL MG1 1 56 GLY HA2 . . 5.260 4.229 3.935 4.598 . 0 0 "[ . 1 . 2]" 1
1199 1 52 VAL MG2 1 53 ALA H . . 3.740 2.108 1.933 2.285 . 0 0 "[ . 1 . 2]" 1
1200 1 52 VAL MG2 1 53 ALA HA . . 3.870 3.483 3.426 3.535 . 0 0 "[ . 1 . 2]" 1
1201 1 52 VAL MG2 1 53 ALA MB . . 4.100 3.043 2.957 3.096 . 0 0 "[ . 1 . 2]" 1
1202 1 52 VAL MG2 1 54 THR H . . 5.090 4.256 4.116 4.377 . 0 0 "[ . 1 . 2]" 1
1203 1 53 ALA H 1 53 ALA MB . . 2.810 1.959 1.943 1.989 . 0 0 "[ . 1 . 2]" 1
1204 1 53 ALA H 1 54 THR H . . 3.480 2.501 2.368 2.624 . 0 0 "[ . 1 . 2]" 1
1205 1 53 ALA H 1 54 THR HA . . 5.490 5.126 5.020 5.223 . 0 0 "[ . 1 . 2]" 1
1206 1 53 ALA H 1 54 THR HG1 . . 4.600 3.910 3.691 4.080 . 0 0 "[ . 1 . 2]" 1
1207 1 53 ALA H 1 54 THR MG . . 4.450 3.683 3.555 3.889 . 0 0 "[ . 1 . 2]" 1
1208 1 53 ALA H 1 64 MET ME . . 4.350 4.143 3.457 4.337 . 0 0 "[ . 1 . 2]" 1
1209 1 53 ALA HA 1 54 THR HA . . 4.900 4.600 4.571 4.646 . 0 0 "[ . 1 . 2]" 1
1210 1 53 ALA HA 1 54 THR MG . . 4.410 4.339 4.281 4.432 0.022 16 0 "[ . 1 . 2]" 1
1211 1 53 ALA HA 1 64 MET ME . . 4.470 4.380 4.087 4.479 0.009 18 0 "[ . 1 . 2]" 1
1212 1 53 ALA MB 1 54 THR H . . 3.550 2.918 2.726 3.013 . 0 0 "[ . 1 . 2]" 1
1213 1 53 ALA MB 1 54 THR HA . . 4.580 3.957 3.861 4.022 . 0 0 "[ . 1 . 2]" 1
1214 1 53 ALA MB 1 54 THR HB . . 5.500 4.996 4.910 5.087 . 0 0 "[ . 1 . 2]" 1
1215 1 53 ALA MB 1 54 THR HG1 . . 4.750 4.160 3.939 4.306 . 0 0 "[ . 1 . 2]" 1
1216 1 53 ALA MB 1 54 THR MG . . 3.370 2.542 2.460 2.640 . 0 0 "[ . 1 . 2]" 1
1217 1 53 ALA MB 1 55 ASP H . . 4.310 4.279 4.140 4.351 0.041 12 0 "[ . 1 . 2]" 1
1218 1 53 ALA MB 1 64 MET HB2 . . 5.060 4.891 4.692 5.155 0.095 3 0 "[ . 1 . 2]" 1
1219 1 53 ALA MB 1 64 MET ME . . 2.820 1.906 1.713 1.979 . 0 0 "[ . 1 . 2]" 1
1220 1 54 THR H 1 54 THR HG1 . . 3.510 1.942 1.922 1.995 . 0 0 "[ . 1 . 2]" 1
1221 1 54 THR H 1 54 THR MG . . 3.210 2.253 2.088 2.436 . 0 0 "[ . 1 . 2]" 1
1222 1 54 THR H 1 55 ASP H . . 3.290 2.424 2.261 2.627 . 0 0 "[ . 1 . 2]" 1
1223 1 54 THR H 1 55 ASP HA . . 4.790 4.536 4.425 4.691 . 0 0 "[ . 1 . 2]" 1
1224 1 54 THR H 1 56 GLY H . . 4.490 2.998 2.822 3.271 . 0 0 "[ . 1 . 2]" 1
1225 1 54 THR H 1 57 ASP H . . 5.470 3.684 3.536 3.826 . 0 0 "[ . 1 . 2]" 1
1226 1 54 THR H 1 60 ALA MB . . 5.500 4.800 4.623 4.919 . 0 0 "[ . 1 . 2]" 1
1227 1 54 THR H 1 61 ALA MB . . 5.310 4.405 4.049 4.611 . 0 0 "[ . 1 . 2]" 1
1228 1 54 THR HA 1 54 THR HB . . 2.950 2.420 2.390 2.468 . 0 0 "[ . 1 . 2]" 1
1229 1 54 THR HA 1 54 THR MG . . 2.990 2.586 2.545 2.612 . 0 0 "[ . 1 . 2]" 1
1230 1 54 THR HA 1 55 ASP HB2 . . 4.250 3.834 3.783 4.075 . 0 0 "[ . 1 . 2]" 1
1231 1 54 THR HA 1 56 GLY H . . 5.320 4.523 4.141 4.877 . 0 0 "[ . 1 . 2]" 1
1232 1 54 THR HA 1 57 ASP H . . 5.280 4.504 4.266 4.891 . 0 0 "[ . 1 . 2]" 1
1233 1 54 THR HA 1 57 ASP HB2 . . 5.140 4.152 3.730 4.862 . 0 0 "[ . 1 . 2]" 1
1234 1 54 THR HA 1 57 ASP HB3 . . 5.480 4.921 4.140 5.464 . 0 0 "[ . 1 . 2]" 1
1235 1 54 THR HA 1 60 ALA MB . . 4.210 3.821 3.445 3.965 . 0 0 "[ . 1 . 2]" 1
1236 1 54 THR HB 1 55 ASP H . . 5.500 4.584 4.516 4.667 . 0 0 "[ . 1 . 2]" 1
1237 1 54 THR HB 1 56 GLY H . . 5.040 4.643 4.203 5.039 . 0 0 "[ . 1 . 2]" 1
1238 1 54 THR HB 1 57 ASP H . . 3.950 3.407 3.228 3.750 . 0 0 "[ . 1 . 2]" 1
1239 1 54 THR HB 1 57 ASP HB2 . . 3.340 2.541 2.047 3.662 0.322 1 0 "[ . 1 . 2]" 1
1240 1 54 THR HB 1 57 ASP HB3 . . 4.030 2.695 2.165 3.237 . 0 0 "[ . 1 . 2]" 1
1241 1 54 THR HB 1 60 ALA MB . . 2.980 1.933 1.807 1.971 . 0 0 "[ . 1 . 2]" 1
1242 1 54 THR HB 1 61 ALA H . . 4.570 4.331 3.896 4.554 . 0 0 "[ . 1 . 2]" 1
1243 1 54 THR HB 1 61 ALA MB . . 4.760 4.433 3.926 4.665 . 0 0 "[ . 1 . 2]" 1
1244 1 54 THR HG1 1 54 THR MG . . 2.850 2.009 1.951 2.117 . 0 0 "[ . 1 . 2]" 1
1245 1 54 THR HG1 1 55 ASP H . . 5.380 3.537 3.288 3.857 . 0 0 "[ . 1 . 2]" 1
1246 1 54 THR HG1 1 56 GLY H . . 4.680 2.737 2.159 3.262 . 0 0 "[ . 1 . 2]" 1
1247 1 54 THR HG1 1 57 ASP H . . 4.880 2.204 1.943 2.548 . 0 0 "[ . 1 . 2]" 1
1248 1 54 THR HG1 1 57 ASP HB2 . . 4.690 3.631 3.181 4.414 . 0 0 "[ . 1 . 2]" 1
1249 1 54 THR HG1 1 57 ASP HB3 . . 5.220 3.975 3.277 4.515 . 0 0 "[ . 1 . 2]" 1
1250 1 54 THR MG 1 55 ASP H . . 4.560 4.055 3.968 4.142 . 0 0 "[ . 1 . 2]" 1
1251 1 54 THR MG 1 56 GLY H . . 5.490 4.242 3.940 4.591 . 0 0 "[ . 1 . 2]" 1
1252 1 54 THR MG 1 57 ASP H . . 4.800 3.641 3.481 3.921 . 0 0 "[ . 1 . 2]" 1
1253 1 54 THR MG 1 57 ASP HB2 . . 4.430 3.942 3.449 4.877 0.447 1 0 "[ . 1 . 2]" 1
1254 1 54 THR MG 1 57 ASP HB3 . . 4.960 3.706 3.152 4.159 . 0 0 "[ . 1 . 2]" 1
1255 1 54 THR MG 1 60 ALA H . . 4.850 4.179 3.989 4.305 . 0 0 "[ . 1 . 2]" 1
1256 1 54 THR MG 1 60 ALA HA . . 4.720 4.009 3.805 4.185 . 0 0 "[ . 1 . 2]" 1
1257 1 54 THR MG 1 60 ALA MB . . 2.950 2.131 1.935 2.456 . 0 0 "[ . 1 . 2]" 1
1258 1 54 THR MG 1 61 ALA H . . 4.160 3.250 3.006 3.454 . 0 0 "[ . 1 . 2]" 1
1259 1 54 THR MG 1 61 ALA HA . . 3.300 2.315 1.982 2.531 . 0 0 "[ . 1 . 2]" 1
1260 1 54 THR MG 1 61 ALA MB . . 2.950 2.748 2.303 2.959 0.009 15 0 "[ . 1 . 2]" 1
1261 1 54 THR MG 1 62 ILE H . . 5.500 4.870 4.492 5.057 . 0 0 "[ . 1 . 2]" 1
1262 1 54 THR MG 1 63 GLU HG2 . . 4.760 4.728 4.482 5.167 0.407 17 0 "[ . 1 . 2]" 1
1263 1 54 THR MG 1 63 GLU HG3 . . 5.140 4.411 4.217 4.637 . 0 0 "[ . 1 . 2]" 1
1264 1 54 THR MG 1 64 MET H . . 5.010 4.327 4.172 4.437 . 0 0 "[ . 1 . 2]" 1
1265 1 54 THR MG 1 64 MET HA . . 5.420 5.441 5.402 5.477 0.057 4 0 "[ . 1 . 2]" 1
1266 1 54 THR MG 1 64 MET HB2 . . 4.830 3.381 3.175 3.527 . 0 0 "[ . 1 . 2]" 1
1267 1 54 THR MG 1 64 MET HB3 . . 4.240 4.155 3.947 4.259 0.019 15 0 "[ . 1 . 2]" 1
1268 1 54 THR MG 1 64 MET ME . . 3.100 2.697 1.834 3.122 0.022 20 0 "[ . 1 . 2]" 1
1269 1 54 THR MG 1 64 MET HG2 . . 4.470 4.078 3.840 4.508 0.038 17 0 "[ . 1 . 2]" 1
1270 1 54 THR MG 1 64 MET HG3 . . 5.080 3.059 2.560 4.300 . 0 0 "[ . 1 . 2]" 1
1271 1 55 ASP H 1 55 ASP HB2 . . 4.120 3.237 3.176 3.278 . 0 0 "[ . 1 . 2]" 1
1272 1 55 ASP H 1 56 GLY H . . 3.660 2.424 2.314 2.547 . 0 0 "[ . 1 . 2]" 1
1273 1 55 ASP H 1 56 GLY HA3 . . 5.120 5.025 4.956 5.136 0.016 17 0 "[ . 1 . 2]" 1
1274 1 55 ASP HA 1 56 GLY H . . 3.580 3.077 2.920 3.284 . 0 0 "[ . 1 . 2]" 1
1275 1 55 ASP HA 1 56 GLY HA2 . . 5.310 4.856 4.797 4.920 . 0 0 "[ . 1 . 2]" 1
1276 1 55 ASP HA 1 56 GLY HA3 . . 5.250 4.471 4.429 4.535 . 0 0 "[ . 1 . 2]" 1
1277 1 55 ASP HA 1 57 ASP H . . 5.500 4.923 4.545 5.354 . 0 0 "[ . 1 . 2]" 1
1278 1 55 ASP HB2 1 56 GLY H . . 5.280 4.338 4.099 4.488 . 0 0 "[ . 1 . 2]" 1
1279 1 55 ASP HB2 1 57 ASP H . . 5.450 5.034 4.678 5.436 . 0 0 "[ . 1 . 2]" 1
1280 1 55 ASP HB3 1 56 GLY H . . 5.370 4.024 3.730 4.195 . 0 0 "[ . 1 . 2]" 1
1281 1 55 ASP HB3 1 57 ASP H . . 5.310 4.477 3.722 5.144 . 0 0 "[ . 1 . 2]" 1
1282 1 56 GLY H 1 57 ASP H . . 3.620 2.330 2.098 2.608 . 0 0 "[ . 1 . 2]" 1
1283 1 56 GLY H 1 57 ASP HA . . 5.230 4.893 4.676 5.084 . 0 0 "[ . 1 . 2]" 1
1284 1 56 GLY H 1 57 ASP HB2 . . 5.500 4.158 3.821 4.649 . 0 0 "[ . 1 . 2]" 1
1285 1 56 GLY H 1 61 ALA MB . . 5.500 4.913 4.693 5.184 . 0 0 "[ . 1 . 2]" 1
1286 1 56 GLY HA2 1 61 ALA MB . . 5.500 4.706 4.545 4.884 . 0 0 "[ . 1 . 2]" 1
1287 1 56 GLY HA3 1 57 ASP HA . . 5.440 4.495 4.478 4.509 . 0 0 "[ . 1 . 2]" 1
1288 1 57 ASP H 1 57 ASP HB2 . . 3.320 2.359 2.156 2.707 . 0 0 "[ . 1 . 2]" 1
1289 1 57 ASP H 1 57 ASP HB3 . . 3.350 3.096 2.463 3.371 0.021 18 0 "[ . 1 . 2]" 1
1290 1 57 ASP H 1 58 ILE H . . 5.060 3.867 3.596 4.095 . 0 0 "[ . 1 . 2]" 1
1291 1 57 ASP H 1 60 ALA H . . 5.500 4.928 4.669 5.157 . 0 0 "[ . 1 . 2]" 1
1292 1 57 ASP H 1 60 ALA MB . . 4.330 4.113 3.841 4.335 0.005 17 0 "[ . 1 . 2]" 1
1293 1 57 ASP H 1 61 ALA H . . 5.500 4.659 4.374 4.871 . 0 0 "[ . 1 . 2]" 1
1294 1 57 ASP H 1 61 ALA MB . . 5.050 3.713 3.379 4.081 . 0 0 "[ . 1 . 2]" 1
1295 1 57 ASP HA 1 58 ILE H . . 2.870 2.393 2.345 2.455 . 0 0 "[ . 1 . 2]" 1
1296 1 57 ASP HA 1 58 ILE HA . . 4.780 4.581 4.540 4.625 . 0 0 "[ . 1 . 2]" 1
1297 1 57 ASP HA 1 58 ILE HB . . 4.830 4.537 4.444 4.613 . 0 0 "[ . 1 . 2]" 1
1298 1 57 ASP HA 1 58 ILE MG . . 4.570 3.974 3.860 4.077 . 0 0 "[ . 1 . 2]" 1
1299 1 57 ASP HA 1 59 HIS H . . 4.470 3.596 3.361 3.811 . 0 0 "[ . 1 . 2]" 1
1300 1 57 ASP HA 1 60 ALA H . . 5.020 4.209 3.993 4.368 . 0 0 "[ . 1 . 2]" 1
1301 1 57 ASP HA 1 60 ALA MB . . 5.210 4.498 4.275 4.609 . 0 0 "[ . 1 . 2]" 1
1302 1 57 ASP HA 1 61 ALA H . . 5.290 4.929 4.798 5.144 . 0 0 "[ . 1 . 2]" 1
1303 1 57 ASP HA 1 61 ALA MB . . 5.320 4.678 4.559 4.923 . 0 0 "[ . 1 . 2]" 1
1304 1 57 ASP HB2 1 58 ILE H . . 5.450 4.700 4.655 4.732 . 0 0 "[ . 1 . 2]" 1
1305 1 57 ASP HB2 1 59 HIS H . . 5.500 5.155 4.805 5.404 . 0 0 "[ . 1 . 2]" 1
1306 1 57 ASP HB2 1 60 ALA H . . 4.430 3.872 3.532 4.171 . 0 0 "[ . 1 . 2]" 1
1307 1 57 ASP HB2 1 60 ALA MB . . 3.190 2.929 2.498 3.430 0.240 1 0 "[ . 1 . 2]" 1
1308 1 57 ASP HB2 1 61 ALA H . . 5.060 4.753 4.252 5.347 0.287 1 0 "[ . 1 . 2]" 1
1309 1 57 ASP HB2 1 61 ALA MB . . 5.500 4.780 4.372 5.476 . 0 0 "[ . 1 . 2]" 1
1310 1 57 ASP HB3 1 58 ILE H . . 4.650 4.272 4.160 4.485 . 0 0 "[ . 1 . 2]" 1
1311 1 57 ASP HB3 1 59 HIS H . . 5.500 3.926 3.383 4.573 . 0 0 "[ . 1 . 2]" 1
1312 1 57 ASP HB3 1 60 ALA H . . 4.940 2.277 1.955 2.907 . 0 0 "[ . 1 . 2]" 1
1313 1 57 ASP HB3 1 60 ALA MB . . 3.720 2.027 1.934 2.177 . 0 0 "[ . 1 . 2]" 1
1314 1 58 ILE H 1 58 ILE HB . . 3.340 2.169 2.118 2.219 . 0 0 "[ . 1 . 2]" 1
1315 1 58 ILE H 1 58 ILE MD . . 4.240 4.052 3.929 4.142 . 0 0 "[ . 1 . 2]" 1
1316 1 58 ILE H 1 58 ILE HG12 . . 4.590 4.556 4.509 4.593 0.003 3 0 "[ . 1 . 2]" 1
1317 1 58 ILE H 1 58 ILE HG13 . . 4.150 4.105 4.035 4.183 0.033 16 0 "[ . 1 . 2]" 1
1318 1 58 ILE H 1 58 ILE MG . . 3.430 2.512 2.361 2.638 . 0 0 "[ . 1 . 2]" 1
1319 1 58 ILE H 1 59 HIS H . . 3.510 2.914 2.764 3.002 . 0 0 "[ . 1 . 2]" 1
1320 1 58 ILE H 1 59 HIS HB2 . . 5.340 5.053 4.775 5.262 . 0 0 "[ . 1 . 2]" 1
1321 1 58 ILE H 1 60 ALA H . . 5.270 4.664 4.475 4.817 . 0 0 "[ . 1 . 2]" 1
1322 1 58 ILE H 1 61 ALA MB . . 4.230 3.749 3.661 3.892 . 0 0 "[ . 1 . 2]" 1
1323 1 58 ILE HA 1 58 ILE MD . . 3.860 3.603 3.501 3.722 . 0 0 "[ . 1 . 2]" 1
1324 1 58 ILE HA 1 58 ILE HG12 . . 4.230 3.031 2.835 3.158 . 0 0 "[ . 1 . 2]" 1
1325 1 58 ILE HA 1 58 ILE HG13 . . 3.700 2.200 2.118 2.325 . 0 0 "[ . 1 . 2]" 1
1326 1 58 ILE HA 1 58 ILE MG . . 3.560 3.195 3.183 3.207 . 0 0 "[ . 1 . 2]" 1
1327 1 58 ILE HA 1 59 HIS HA . . 5.230 4.828 4.783 4.880 . 0 0 "[ . 1 . 2]" 1
1328 1 58 ILE HA 1 60 ALA H . . 4.920 4.719 4.453 4.921 0.001 2 0 "[ . 1 . 2]" 1
1329 1 58 ILE HA 1 61 ALA H . . 4.100 3.118 2.987 3.257 . 0 0 "[ . 1 . 2]" 1
1330 1 58 ILE HA 1 61 ALA HA . . 5.110 4.590 4.471 4.701 . 0 0 "[ . 1 . 2]" 1
1331 1 58 ILE HA 1 61 ALA MB . . 3.100 1.881 1.820 1.943 . 0 0 "[ . 1 . 2]" 1
1332 1 58 ILE HA 1 62 ILE H . . 4.460 3.810 3.709 3.900 . 0 0 "[ . 1 . 2]" 1
1333 1 58 ILE HA 1 62 ILE MD . . 5.500 5.063 4.897 5.173 . 0 0 "[ . 1 . 2]" 1
1334 1 58 ILE HA 1 62 ILE HG13 . . 5.010 4.147 3.973 4.355 . 0 0 "[ . 1 . 2]" 1
1335 1 58 ILE HB 1 58 ILE MD . . 3.410 2.190 2.018 2.282 . 0 0 "[ . 1 . 2]" 1
1336 1 58 ILE HB 1 59 HIS H . . 4.020 3.800 3.654 3.906 . 0 0 "[ . 1 . 2]" 1
1337 1 58 ILE MD 1 59 HIS H . . 5.380 4.848 4.607 5.069 . 0 0 "[ . 1 . 2]" 1
1338 1 58 ILE HG12 1 58 ILE MG . . 3.500 2.371 2.298 2.463 . 0 0 "[ . 1 . 2]" 1
1339 1 58 ILE HG12 1 59 HIS H . . 5.180 4.406 4.196 4.610 . 0 0 "[ . 1 . 2]" 1
1340 1 58 ILE HG12 1 62 ILE H . . 5.140 4.311 3.944 4.695 . 0 0 "[ . 1 . 2]" 1
1341 1 58 ILE HG12 1 62 ILE MD . . 3.850 3.268 3.077 3.435 . 0 0 "[ . 1 . 2]" 1
1342 1 58 ILE HG12 1 62 ILE HG12 . . 4.930 3.976 3.522 4.252 . 0 0 "[ . 1 . 2]" 1
1343 1 58 ILE HG12 1 62 ILE HG13 . . 4.480 2.845 2.606 3.130 . 0 0 "[ . 1 . 2]" 1
1344 1 58 ILE HG13 1 59 HIS H . . 4.940 4.929 4.776 4.987 0.047 15 0 "[ . 1 . 2]" 1
1345 1 58 ILE HG13 1 61 ALA H . . 5.200 4.977 4.695 5.193 . 0 0 "[ . 1 . 2]" 1
1346 1 58 ILE HG13 1 62 ILE H . . 5.270 4.627 4.420 4.835 . 0 0 "[ . 1 . 2]" 1
1347 1 58 ILE HG13 1 62 ILE MD . . 4.610 4.624 4.588 4.659 0.049 2 0 "[ . 1 . 2]" 1
1348 1 58 ILE MG 1 59 HIS H . . 3.580 2.098 1.885 2.304 . 0 0 "[ . 1 . 2]" 1
1349 1 58 ILE MG 1 59 HIS HA . . 3.920 2.931 2.832 3.020 . 0 0 "[ . 1 . 2]" 1
1350 1 58 ILE MG 1 59 HIS HB2 . . 4.770 3.939 3.764 4.136 . 0 0 "[ . 1 . 2]" 1
1351 1 58 ILE MG 1 59 HIS HD2 . . 4.940 2.443 2.033 3.175 . 0 0 "[ . 1 . 2]" 1
1352 1 58 ILE MG 1 59 HIS HE1 . . 4.830 4.497 4.051 4.820 . 0 0 "[ . 1 . 2]" 1
1353 1 58 ILE MG 1 60 ALA H . . 5.300 4.501 4.309 4.643 . 0 0 "[ . 1 . 2]" 1
1354 1 58 ILE MG 1 61 ALA H . . 5.440 4.461 4.361 4.607 . 0 0 "[ . 1 . 2]" 1
1355 1 58 ILE MG 1 61 ALA MB . . 4.070 4.044 3.929 4.101 0.031 3 0 "[ . 1 . 2]" 1
1356 1 58 ILE MG 1 62 ILE H . . 4.700 4.484 4.263 4.617 . 0 0 "[ . 1 . 2]" 1
1357 1 58 ILE MG 1 62 ILE HG13 . . 3.890 3.731 3.287 3.910 0.020 7 0 "[ . 1 . 2]" 1
1358 1 59 HIS H 1 59 HIS HB2 . . 3.040 2.472 2.268 2.660 . 0 0 "[ . 1 . 2]" 1
1359 1 59 HIS H 1 59 HIS HD2 . . 5.380 2.604 2.017 3.373 . 0 0 "[ . 1 . 2]" 1
1360 1 59 HIS H 1 60 ALA H . . 3.140 2.937 2.774 3.075 . 0 0 "[ . 1 . 2]" 1
1361 1 59 HIS H 1 60 ALA MB . . 5.040 4.505 4.348 4.666 . 0 0 "[ . 1 . 2]" 1
1362 1 59 HIS H 1 61 ALA H . . 4.520 3.646 3.527 3.752 . 0 0 "[ . 1 . 2]" 1
1363 1 59 HIS H 1 61 ALA MB . . 5.160 4.220 4.122 4.323 . 0 0 "[ . 1 . 2]" 1
1364 1 59 HIS H 1 62 ILE H . . 5.200 4.611 4.524 4.686 . 0 0 "[ . 1 . 2]" 1
1365 1 59 HIS HA 1 59 HIS HD2 . . 4.450 3.602 2.244 4.427 . 0 0 "[ . 1 . 2]" 1
1366 1 59 HIS HA 1 61 ALA H . . 4.720 4.027 3.797 4.143 . 0 0 "[ . 1 . 2]" 1
1367 1 59 HIS HA 1 61 ALA MB . . 4.750 4.736 4.651 4.779 0.029 4 0 "[ . 1 . 2]" 1
1368 1 59 HIS HA 1 62 ILE H . . 4.220 3.536 3.377 3.583 . 0 0 "[ . 1 . 2]" 1
1369 1 59 HIS HA 1 62 ILE HB . . 3.540 3.227 3.035 3.298 . 0 0 "[ . 1 . 2]" 1
1370 1 59 HIS HA 1 62 ILE MD . . 3.280 2.864 2.533 3.055 . 0 0 "[ . 1 . 2]" 1
1371 1 59 HIS HA 1 62 ILE HG12 . . 5.310 5.011 4.815 5.130 . 0 0 "[ . 1 . 2]" 1
1372 1 59 HIS HA 1 62 ILE HG13 . . 4.430 3.573 3.212 3.758 . 0 0 "[ . 1 . 2]" 1
1373 1 59 HIS HA 1 62 ILE MG . . 4.490 4.479 4.343 4.513 0.023 4 0 "[ . 1 . 2]" 1
1374 1 59 HIS HB2 1 60 ALA H . . 3.440 2.393 2.228 2.591 . 0 0 "[ . 1 . 2]" 1
1375 1 59 HIS HB2 1 60 ALA HA . . 4.770 4.401 4.173 4.617 . 0 0 "[ . 1 . 2]" 1
1376 1 59 HIS HB2 1 60 ALA MB . . 4.560 3.707 3.541 3.803 . 0 0 "[ . 1 . 2]" 1
1377 1 59 HIS HB2 1 61 ALA H . . 5.250 4.471 4.338 4.651 . 0 0 "[ . 1 . 2]" 1
1378 1 59 HIS HB3 1 62 ILE MD . . 5.500 4.735 4.479 4.955 . 0 0 "[ . 1 . 2]" 1
1379 1 59 HIS HD2 1 60 ALA H . . 5.360 4.779 4.065 5.337 . 0 0 "[ . 1 . 2]" 1
1380 1 60 ALA H 1 60 ALA MB . . 2.890 2.071 1.942 2.190 . 0 0 "[ . 1 . 2]" 1
1381 1 60 ALA H 1 61 ALA H . . 3.350 2.508 2.416 2.600 . 0 0 "[ . 1 . 2]" 1
1382 1 60 ALA H 1 61 ALA HA . . 5.460 5.027 4.947 5.096 . 0 0 "[ . 1 . 2]" 1
1383 1 60 ALA H 1 61 ALA MB . . 4.920 4.079 3.994 4.141 . 0 0 "[ . 1 . 2]" 1
1384 1 60 ALA HA 1 61 ALA HA . . 5.050 4.754 4.691 4.789 . 0 0 "[ . 1 . 2]" 1
1385 1 60 ALA HA 1 62 ILE H . . 4.800 4.302 4.157 4.484 . 0 0 "[ . 1 . 2]" 1
1386 1 60 ALA HA 1 63 GLU H . . 3.830 3.756 3.693 3.827 . 0 0 "[ . 1 . 2]" 1
1387 1 60 ALA HA 1 63 GLU HG2 . . 4.490 2.313 2.174 2.479 . 0 0 "[ . 1 . 2]" 1
1388 1 60 ALA HA 1 63 GLU HG3 . . 4.230 3.248 2.691 3.524 . 0 0 "[ . 1 . 2]" 1
1389 1 60 ALA HA 1 64 MET H . . 4.650 4.380 4.271 4.493 . 0 0 "[ . 1 . 2]" 1
1390 1 60 ALA MB 1 61 ALA H . . 3.480 3.042 2.924 3.200 . 0 0 "[ . 1 . 2]" 1
1391 1 60 ALA MB 1 61 ALA HA . . 3.900 3.914 3.853 3.969 0.069 6 0 "[ . 1 . 2]" 1
1392 1 60 ALA MB 1 61 ALA MB . . 4.120 3.934 3.885 4.005 . 0 0 "[ . 1 . 2]" 1
1393 1 60 ALA MB 1 62 ILE H . . 5.170 4.767 4.653 4.883 . 0 0 "[ . 1 . 2]" 1
1394 1 60 ALA MB 1 63 GLU H . . 5.000 5.039 4.991 5.108 0.108 20 0 "[ . 1 . 2]" 1
1395 1 60 ALA MB 1 63 GLU HG2 . . 5.090 3.686 3.638 3.725 . 0 0 "[ . 1 . 2]" 1
1396 1 60 ALA MB 1 63 GLU HG3 . . 5.320 3.960 3.882 4.055 . 0 0 "[ . 1 . 2]" 1
1397 1 60 ALA MB 1 64 MET H . . 5.060 4.738 4.614 4.897 . 0 0 "[ . 1 . 2]" 1
1398 1 61 ALA H 1 61 ALA MB . . 3.030 2.145 2.094 2.196 . 0 0 "[ . 1 . 2]" 1
1399 1 61 ALA H 1 62 ILE H . . 3.560 2.522 2.387 2.607 . 0 0 "[ . 1 . 2]" 1
1400 1 61 ALA H 1 62 ILE HA . . 5.500 5.072 4.953 5.146 . 0 0 "[ . 1 . 2]" 1
1401 1 61 ALA H 1 62 ILE HB . . 5.350 4.413 4.234 4.572 . 0 0 "[ . 1 . 2]" 1
1402 1 61 ALA H 1 62 ILE HG13 . . 5.500 4.433 4.162 4.550 . 0 0 "[ . 1 . 2]" 1
1403 1 61 ALA H 1 63 GLU H . . 5.070 4.602 4.326 4.756 . 0 0 "[ . 1 . 2]" 1
1404 1 61 ALA H 1 64 MET H . . 5.450 4.813 4.715 4.884 . 0 0 "[ . 1 . 2]" 1
1405 1 61 ALA HA 1 63 GLU H . . 5.010 4.943 4.723 5.042 0.032 19 0 "[ . 1 . 2]" 1
1406 1 61 ALA HA 1 64 MET H . . 3.850 3.445 3.299 3.504 . 0 0 "[ . 1 . 2]" 1
1407 1 61 ALA HA 1 64 MET HB2 . . 3.670 2.383 2.299 2.421 . 0 0 "[ . 1 . 2]" 1
1408 1 61 ALA HA 1 64 MET HB3 . . 3.830 3.754 3.201 3.905 0.075 20 0 "[ . 1 . 2]" 1
1409 1 61 ALA HA 1 64 MET ME . . 4.150 3.820 2.900 4.156 0.006 7 0 "[ . 1 . 2]" 1
1410 1 61 ALA HA 1 64 MET HG2 . . 5.130 4.722 4.430 5.095 . 0 0 "[ . 1 . 2]" 1
1411 1 61 ALA HA 1 64 MET HG3 . . 4.950 3.765 3.335 4.929 . 0 0 "[ . 1 . 2]" 1
1412 1 61 ALA HA 1 65 LEU H . . 4.590 4.141 4.037 4.234 . 0 0 "[ . 1 . 2]" 1
1413 1 61 ALA HA 1 65 LEU HB2 . . 5.500 5.401 5.278 5.507 0.007 5 0 "[ . 1 . 2]" 1
1414 1 61 ALA HA 1 65 LEU MD1 . . 5.210 3.794 3.615 3.988 . 0 0 "[ . 1 . 2]" 1
1415 1 61 ALA MB 1 62 ILE H . . 3.320 2.582 2.453 2.698 . 0 0 "[ . 1 . 2]" 1
1416 1 61 ALA MB 1 62 ILE HA . . 4.530 3.767 3.739 3.801 . 0 0 "[ . 1 . 2]" 1
1417 1 61 ALA MB 1 62 ILE HB . . 4.470 4.495 4.449 4.540 0.070 14 0 "[ . 1 . 2]" 1
1418 1 61 ALA MB 1 62 ILE HG13 . . 4.120 3.484 3.338 3.628 . 0 0 "[ . 1 . 2]" 1
1419 1 61 ALA MB 1 63 GLU H . . 5.090 4.961 4.827 5.047 . 0 0 "[ . 1 . 2]" 1
1420 1 61 ALA MB 1 64 MET H . . 4.760 4.603 4.497 4.654 . 0 0 "[ . 1 . 2]" 1
1421 1 61 ALA MB 1 64 MET HB3 . . 5.040 4.799 4.349 4.968 . 0 0 "[ . 1 . 2]" 1
1422 1 61 ALA MB 1 65 LEU H . . 5.500 4.463 4.364 4.549 . 0 0 "[ . 1 . 2]" 1
1423 1 61 ALA MB 1 65 LEU MD1 . . 3.620 2.410 2.231 2.572 . 0 0 "[ . 1 . 2]" 1
1424 1 61 ALA MB 1 65 LEU HG . . 4.830 3.374 3.172 3.503 . 0 0 "[ . 1 . 2]" 1
1425 1 62 ILE H 1 62 ILE HB . . 3.080 2.248 2.175 2.403 . 0 0 "[ . 1 . 2]" 1
1426 1 62 ILE H 1 62 ILE MD . . 3.930 3.602 3.460 3.691 . 0 0 "[ . 1 . 2]" 1
1427 1 62 ILE H 1 62 ILE HG12 . . 3.960 3.585 3.188 3.705 . 0 0 "[ . 1 . 2]" 1
1428 1 62 ILE H 1 62 ILE HG13 . . 3.280 2.362 2.077 2.525 . 0 0 "[ . 1 . 2]" 1
1429 1 62 ILE H 1 62 ILE MG . . 4.050 3.654 3.618 3.703 . 0 0 "[ . 1 . 2]" 1
1430 1 62 ILE H 1 63 GLU H . . 3.460 3.070 3.018 3.118 . 0 0 "[ . 1 . 2]" 1
1431 1 62 ILE H 1 63 GLU HA . . 5.500 5.467 5.435 5.502 0.002 8 0 "[ . 1 . 2]" 1
1432 1 62 ILE H 1 63 GLU HB3 . . 5.500 5.558 5.516 5.602 0.102 8 0 "[ . 1 . 2]" 1
1433 1 62 ILE H 1 64 MET H . . 4.790 4.193 4.134 4.245 . 0 0 "[ . 1 . 2]" 1
1434 1 62 ILE H 1 65 LEU MD1 . . 5.110 3.625 3.222 3.949 . 0 0 "[ . 1 . 2]" 1
1435 1 62 ILE HA 1 62 ILE MD . . 3.960 3.755 3.726 3.791 . 0 0 "[ . 1 . 2]" 1
1436 1 62 ILE HA 1 62 ILE HG12 . . 3.260 2.397 2.325 2.501 . 0 0 "[ . 1 . 2]" 1
1437 1 62 ILE HA 1 62 ILE HG13 . . 3.390 2.766 2.671 3.032 . 0 0 "[ . 1 . 2]" 1
1438 1 62 ILE HA 1 62 ILE MG . . 3.230 2.592 2.551 2.655 . 0 0 "[ . 1 . 2]" 1
1439 1 62 ILE HA 1 63 GLU HA . . 5.500 4.805 4.778 4.820 . 0 0 "[ . 1 . 2]" 1
1440 1 62 ILE HA 1 64 MET H . . 5.140 4.472 4.411 4.546 . 0 0 "[ . 1 . 2]" 1
1441 1 62 ILE HA 1 65 LEU H . . 3.930 3.220 3.163 3.305 . 0 0 "[ . 1 . 2]" 1
1442 1 62 ILE HA 1 65 LEU HA . . 5.200 5.273 5.231 5.329 0.129 10 0 "[ . 1 . 2]" 1
1443 1 62 ILE HA 1 65 LEU HB2 . . 3.300 2.511 2.461 2.540 . 0 0 "[ . 1 . 2]" 1
1444 1 62 ILE HA 1 65 LEU HB3 . . 4.190 4.195 4.151 4.214 0.024 3 0 "[ . 1 . 2]" 1
1445 1 62 ILE HA 1 65 LEU MD1 . . 3.260 2.472 2.294 2.659 . 0 0 "[ . 1 . 2]" 1
1446 1 62 ILE HA 1 65 LEU MD2 . . 5.100 4.865 4.748 4.986 . 0 0 "[ . 1 . 2]" 1
1447 1 62 ILE HA 1 65 LEU HG . . 4.360 3.944 3.877 4.114 . 0 0 "[ . 1 . 2]" 1
1448 1 62 ILE HA 1 66 LEU H . . 4.550 4.059 3.930 4.234 . 0 0 "[ . 1 . 2]" 1
1449 1 62 ILE HA 1 66 LEU HA . . 5.500 5.569 5.547 5.612 0.112 10 0 "[ . 1 . 2]" 1
1450 1 62 ILE HA 1 66 LEU QD . . 5.250 3.418 2.770 3.972 . 0 0 "[ . 1 . 2]" 1
1451 1 62 ILE HB 1 62 ILE MD . . 3.200 2.317 2.175 2.396 . 0 0 "[ . 1 . 2]" 1
1452 1 62 ILE HB 1 63 GLU H . . 3.550 2.419 2.319 2.526 . 0 0 "[ . 1 . 2]" 1
1453 1 62 ILE HB 1 63 GLU HA . . 5.060 4.533 4.348 4.615 . 0 0 "[ . 1 . 2]" 1
1454 1 62 ILE HB 1 63 GLU HB3 . . 4.750 4.617 4.456 4.708 . 0 0 "[ . 1 . 2]" 1
1455 1 62 ILE HB 1 63 GLU HG2 . . 5.180 4.191 3.880 5.014 . 0 0 "[ . 1 . 2]" 1
1456 1 62 ILE HB 1 63 GLU HG3 . . 5.500 5.137 4.189 5.519 0.019 18 0 "[ . 1 . 2]" 1
1457 1 62 ILE HB 1 64 MET H . . 5.500 4.921 4.843 5.006 . 0 0 "[ . 1 . 2]" 1
1458 1 62 ILE MD 1 62 ILE MG . . 2.820 1.953 1.888 2.142 . 0 0 "[ . 1 . 2]" 1
1459 1 62 ILE MD 1 63 GLU H . . 4.650 4.308 4.225 4.404 . 0 0 "[ . 1 . 2]" 1
1460 1 62 ILE MD 1 66 LEU QD . . 4.070 3.708 3.538 3.901 . 0 0 "[ . 1 . 2]" 1
1461 1 62 ILE HG12 1 62 ILE MG . . 3.290 2.452 2.360 2.512 . 0 0 "[ . 1 . 2]" 1
1462 1 62 ILE HG12 1 63 GLU H . . 5.290 4.913 4.870 4.990 . 0 0 "[ . 1 . 2]" 1
1463 1 62 ILE HG12 1 65 LEU MD1 . . 4.320 3.741 3.520 3.976 . 0 0 "[ . 1 . 2]" 1
1464 1 62 ILE HG13 1 62 ILE MG . . 3.690 3.231 3.222 3.241 . 0 0 "[ . 1 . 2]" 1
1465 1 62 ILE HG13 1 63 GLU H . . 4.840 4.530 4.320 4.610 . 0 0 "[ . 1 . 2]" 1
1466 1 62 ILE HG13 1 65 LEU MD1 . . 4.460 3.788 3.561 4.137 . 0 0 "[ . 1 . 2]" 1
1467 1 62 ILE MG 1 63 GLU H . . 3.910 2.599 2.425 2.924 . 0 0 "[ . 1 . 2]" 1
1468 1 62 ILE MG 1 63 GLU HA . . 3.930 2.980 2.750 3.127 . 0 0 "[ . 1 . 2]" 1
1469 1 62 ILE MG 1 63 GLU HB3 . . 4.800 3.810 3.674 4.211 . 0 0 "[ . 1 . 2]" 1
1470 1 62 ILE MG 1 63 GLU HG2 . . 4.800 4.421 4.127 4.996 0.196 6 0 "[ . 1 . 2]" 1
1471 1 62 ILE MG 1 64 MET H . . 5.390 4.653 4.528 4.807 . 0 0 "[ . 1 . 2]" 1
1472 1 62 ILE MG 1 65 LEU H . . 5.200 4.258 4.171 4.350 . 0 0 "[ . 1 . 2]" 1
1473 1 62 ILE MG 1 65 LEU HB2 . . 4.040 4.008 3.914 4.104 0.064 19 0 "[ . 1 . 2]" 1
1474 1 62 ILE MG 1 65 LEU MD1 . . 4.640 4.353 4.184 4.487 . 0 0 "[ . 1 . 2]" 1
1475 1 62 ILE MG 1 66 LEU H . . 4.770 3.774 3.564 4.061 . 0 0 "[ . 1 . 2]" 1
1476 1 62 ILE MG 1 66 LEU HA . . 5.260 4.443 4.346 4.592 . 0 0 "[ . 1 . 2]" 1
1477 1 62 ILE MG 1 66 LEU HB2 . . 4.420 3.625 3.491 3.874 . 0 0 "[ . 1 . 2]" 1
1478 1 62 ILE MG 1 66 LEU HB3 . . 4.940 4.471 4.259 4.583 . 0 0 "[ . 1 . 2]" 1
1479 1 62 ILE MG 1 66 LEU QD . . 2.490 1.687 1.576 1.856 . 0 0 "[ . 1 . 2]" 1
1480 1 62 ILE MG 1 66 LEU HG . . 3.700 2.968 1.960 3.733 0.033 20 0 "[ . 1 . 2]" 1
1481 1 63 GLU H 1 63 GLU HB3 . . 3.160 2.568 2.550 2.588 . 0 0 "[ . 1 . 2]" 1
1482 1 63 GLU H 1 63 GLU HG2 . . 3.750 2.194 1.931 2.987 . 0 0 "[ . 1 . 2]" 1
1483 1 63 GLU H 1 63 GLU HG3 . . 3.550 2.910 1.996 3.244 . 0 0 "[ . 1 . 2]" 1
1484 1 63 GLU H 1 64 MET H . . 3.460 2.965 2.883 3.010 . 0 0 "[ . 1 . 2]" 1
1485 1 63 GLU H 1 64 MET HA . . 5.500 5.422 5.362 5.455 . 0 0 "[ . 1 . 2]" 1
1486 1 63 GLU H 1 65 LEU H . . 5.110 4.098 3.964 4.189 . 0 0 "[ . 1 . 2]" 1
1487 1 63 GLU H 1 65 LEU HB2 . . 5.390 5.316 5.220 5.367 . 0 0 "[ . 1 . 2]" 1
1488 1 63 GLU H 1 66 LEU H . . 5.500 4.452 4.382 4.559 . 0 0 "[ . 1 . 2]" 1
1489 1 63 GLU H 1 66 LEU HB2 . . 5.500 4.494 4.357 4.742 . 0 0 "[ . 1 . 2]" 1
1490 1 63 GLU H 1 66 LEU QD . . 5.220 3.377 3.165 3.581 . 0 0 "[ . 1 . 2]" 1
1491 1 63 GLU HA 1 63 GLU HG2 . . 3.650 3.775 3.635 4.155 0.505 6 1 "[ .+ 1 . 2]" 1
1492 1 63 GLU HA 1 63 GLU HG3 . . 3.940 3.741 3.537 3.826 . 0 0 "[ . 1 . 2]" 1
1493 1 63 GLU HA 1 65 LEU H . . 4.930 4.188 3.963 4.325 . 0 0 "[ . 1 . 2]" 1
1494 1 63 GLU HA 1 66 LEU H . . 4.150 3.168 3.072 3.272 . 0 0 "[ . 1 . 2]" 1
1495 1 63 GLU HA 1 66 LEU HB2 . . 3.700 2.144 2.021 2.296 . 0 0 "[ . 1 . 2]" 1
1496 1 63 GLU HA 1 66 LEU HB3 . . 4.420 3.646 3.506 3.812 . 0 0 "[ . 1 . 2]" 1
1497 1 63 GLU HA 1 66 LEU QD . . 3.650 1.959 1.932 2.014 . 0 0 "[ . 1 . 2]" 1
1498 1 63 GLU HA 1 66 LEU HG . . 4.300 3.777 2.982 4.418 0.118 19 0 "[ . 1 . 2]" 1
1499 1 63 GLU HA 1 67 GLY H . . 5.110 4.869 4.634 5.001 . 0 0 "[ . 1 . 2]" 1
1500 1 63 GLU HA 1 68 ALA H . . 5.120 4.725 4.459 5.082 . 0 0 "[ . 1 . 2]" 1
1501 1 63 GLU HA 1 68 ALA MB . . 4.900 3.563 3.373 3.782 . 0 0 "[ . 1 . 2]" 1
1502 1 63 GLU HB2 1 63 GLU HG3 . . 2.920 2.603 2.462 2.987 0.067 6 0 "[ . 1 . 2]" 1
1503 1 63 GLU HB2 1 64 MET H . . 3.500 3.570 3.534 3.608 0.108 17 0 "[ . 1 . 2]" 1
1504 1 63 GLU HB2 1 64 MET HA . . 4.960 4.286 4.264 4.320 . 0 0 "[ . 1 . 2]" 1
1505 1 63 GLU HB2 1 66 LEU H . . 4.980 4.979 4.899 5.029 0.049 8 0 "[ . 1 . 2]" 1
1506 1 63 GLU HB2 1 66 LEU HB2 . . 4.180 4.179 4.122 4.229 0.049 18 0 "[ . 1 . 2]" 1
1507 1 63 GLU HB2 1 68 ALA MB . . 4.290 2.845 2.658 3.034 . 0 0 "[ . 1 . 2]" 1
1508 1 63 GLU HB3 1 63 GLU HG2 . . 2.810 2.469 2.278 2.549 . 0 0 "[ . 1 . 2]" 1
1509 1 63 GLU HB3 1 66 LEU QD . . 4.980 3.396 3.326 3.469 . 0 0 "[ . 1 . 2]" 1
1510 1 63 GLU HG2 1 64 MET H . . 3.210 2.795 2.469 3.580 0.370 17 0 "[ . 1 . 2]" 1
1511 1 63 GLU HG2 1 64 MET HA . . 5.500 5.064 4.844 5.493 . 0 0 "[ . 1 . 2]" 1
1512 1 63 GLU HG2 1 66 LEU QD . . 4.880 4.737 4.493 5.202 0.322 6 0 "[ . 1 . 2]" 1
1513 1 63 GLU HG2 1 68 ALA MB . . 4.950 4.953 4.708 5.107 0.157 5 0 "[ . 1 . 2]" 1
1514 1 63 GLU HG3 1 64 MET H . . 5.370 1.941 1.922 1.972 . 0 0 "[ . 1 . 2]" 1
1515 1 63 GLU HG3 1 64 MET HA . . 5.350 3.710 3.429 4.377 . 0 0 "[ . 1 . 2]" 1
1516 1 63 GLU HG3 1 66 LEU QD . . 5.310 4.939 4.516 5.207 . 0 0 "[ . 1 . 2]" 1
1517 1 64 MET H 1 64 MET HB2 . . 3.600 2.145 1.973 2.299 . 0 0 "[ . 1 . 2]" 1
1518 1 64 MET H 1 64 MET HB3 . . 3.380 3.413 3.214 3.500 0.120 20 0 "[ . 1 . 2]" 1
1519 1 64 MET H 1 64 MET HG2 . . 4.390 3.261 2.694 4.376 . 0 0 "[ . 1 . 2]" 1
1520 1 64 MET H 1 64 MET HG3 . . 4.770 3.172 2.335 3.473 . 0 0 "[ . 1 . 2]" 1
1521 1 64 MET H 1 65 LEU H . . 3.450 2.642 2.602 2.677 . 0 0 "[ . 1 . 2]" 1
1522 1 64 MET H 1 65 LEU HA . . 5.500 5.211 5.174 5.239 . 0 0 "[ . 1 . 2]" 1
1523 1 64 MET H 1 65 LEU HB2 . . 5.040 4.866 4.794 4.912 . 0 0 "[ . 1 . 2]" 1
1524 1 64 MET H 1 65 LEU MD1 . . 5.500 4.866 4.642 5.035 . 0 0 "[ . 1 . 2]" 1
1525 1 64 MET H 1 66 LEU H . . 4.930 3.830 3.738 3.969 . 0 0 "[ . 1 . 2]" 1
1526 1 64 MET H 1 66 LEU HB2 . . 5.500 4.731 4.597 4.995 . 0 0 "[ . 1 . 2]" 1
1527 1 64 MET H 1 66 LEU QD . . 5.500 4.625 4.341 4.896 . 0 0 "[ . 1 . 2]" 1
1528 1 64 MET H 1 68 ALA MB . . 4.860 4.187 4.056 4.380 . 0 0 "[ . 1 . 2]" 1
1529 1 64 MET HA 1 64 MET HB3 . . 3.050 2.728 2.618 2.900 . 0 0 "[ . 1 . 2]" 1
1530 1 64 MET HA 1 64 MET ME . . 4.110 4.005 3.583 4.200 0.090 10 0 "[ . 1 . 2]" 1
1531 1 64 MET HA 1 64 MET HG2 . . 3.740 2.413 2.265 2.753 . 0 0 "[ . 1 . 2]" 1
1532 1 64 MET HA 1 64 MET HG3 . . 3.900 3.213 2.232 3.641 . 0 0 "[ . 1 . 2]" 1
1533 1 64 MET HA 1 66 LEU H . . 4.980 4.048 3.772 4.312 . 0 0 "[ . 1 . 2]" 1
1534 1 64 MET HA 1 67 GLY H . . 4.360 3.801 3.659 3.966 . 0 0 "[ . 1 . 2]" 1
1535 1 64 MET HA 1 68 ALA H . . 4.850 3.013 2.632 3.430 . 0 0 "[ . 1 . 2]" 1
1536 1 64 MET HA 1 68 ALA MB . . 5.260 2.877 2.601 3.193 . 0 0 "[ . 1 . 2]" 1
1537 1 64 MET HA 1 69 SER H . . 4.820 3.202 2.015 4.825 0.005 7 0 "[ . 1 . 2]" 1
1538 1 64 MET HB2 1 64 MET ME . . 4.230 2.928 2.703 3.072 . 0 0 "[ . 1 . 2]" 1
1539 1 64 MET HB2 1 65 LEU H . . 3.750 3.001 2.841 3.411 . 0 0 "[ . 1 . 2]" 1
1540 1 64 MET HB2 1 65 LEU HA . . 5.190 4.750 4.528 5.182 . 0 0 "[ . 1 . 2]" 1
1541 1 64 MET HB2 1 65 LEU MD2 . . 5.270 4.577 4.206 5.125 . 0 0 "[ . 1 . 2]" 1
1542 1 64 MET HB2 1 66 LEU H . . 5.500 4.920 4.779 5.272 . 0 0 "[ . 1 . 2]" 1
1543 1 64 MET HB3 1 64 MET ME . . 4.240 2.017 1.895 2.129 . 0 0 "[ . 1 . 2]" 1
1544 1 64 MET HB3 1 65 LEU H . . 4.230 3.539 3.184 3.847 . 0 0 "[ . 1 . 2]" 1
1545 1 64 MET HB3 1 65 LEU HA . . 5.500 4.176 3.970 4.380 . 0 0 "[ . 1 . 2]" 1
1546 1 64 MET HB3 1 65 LEU MD2 . . 5.110 4.149 3.890 4.476 . 0 0 "[ . 1 . 2]" 1
1547 1 64 MET HB3 1 65 LEU HG . . 5.100 3.611 3.202 3.904 . 0 0 "[ . 1 . 2]" 1
1548 1 64 MET HB3 1 66 LEU H . . 5.500 5.216 5.004 5.505 0.005 8 0 "[ . 1 . 2]" 1
1549 1 64 MET HB3 1 68 ALA MB . . 5.300 5.221 4.894 5.638 0.338 10 0 "[ . 1 . 2]" 1
1550 1 64 MET ME 1 64 MET HG2 . . 3.670 3.006 2.401 3.381 . 0 0 "[ . 1 . 2]" 1
1551 1 64 MET ME 1 64 MET HG3 . . 3.540 2.800 2.370 3.382 . 0 0 "[ . 1 . 2]" 1
1552 1 64 MET HG2 1 65 LEU H . . 5.500 4.931 4.738 5.208 . 0 0 "[ . 1 . 2]" 1
1553 1 64 MET HG2 1 68 ALA MB . . 5.280 4.011 3.561 5.141 . 0 0 "[ . 1 . 2]" 1
1554 1 64 MET HG3 1 65 LEU H . . 5.260 4.979 4.576 5.133 . 0 0 "[ . 1 . 2]" 1
1555 1 64 MET HG3 1 65 LEU HG . . 5.500 5.661 5.537 6.127 0.627 17 4 "[ * . - .*+ 2]" 1
1556 1 65 LEU H 1 65 LEU HB2 . . 3.370 2.407 2.342 2.459 . 0 0 "[ . 1 . 2]" 1
1557 1 65 LEU H 1 65 LEU HB3 . . 3.850 3.576 3.557 3.616 . 0 0 "[ . 1 . 2]" 1
1558 1 65 LEU H 1 65 LEU MD1 . . 4.140 3.355 3.202 3.506 . 0 0 "[ . 1 . 2]" 1
1559 1 65 LEU H 1 65 LEU MD2 . . 4.000 3.797 3.671 3.945 . 0 0 "[ . 1 . 2]" 1
1560 1 65 LEU H 1 65 LEU HG . . 3.230 2.521 2.413 2.690 . 0 0 "[ . 1 . 2]" 1
1561 1 65 LEU H 1 66 LEU H . . 3.220 2.294 2.168 2.367 . 0 0 "[ . 1 . 2]" 1
1562 1 65 LEU H 1 66 LEU HA . . 4.920 4.829 4.710 4.902 . 0 0 "[ . 1 . 2]" 1
1563 1 65 LEU H 1 66 LEU HB2 . . 5.220 4.189 4.043 4.349 . 0 0 "[ . 1 . 2]" 1
1564 1 65 LEU H 1 66 LEU QD . . 5.500 3.956 3.503 4.518 . 0 0 "[ . 1 . 2]" 1
1565 1 65 LEU H 1 67 GLY H . . 4.850 3.930 3.788 4.002 . 0 0 "[ . 1 . 2]" 1
1566 1 65 LEU HA 1 65 LEU MD1 . . 4.230 3.915 3.891 3.935 . 0 0 "[ . 1 . 2]" 1
1567 1 65 LEU HA 1 65 LEU MD2 . . 2.850 2.219 2.126 2.297 . 0 0 "[ . 1 . 2]" 1
1568 1 65 LEU HA 1 65 LEU HG . . 3.380 2.865 2.779 2.946 . 0 0 "[ . 1 . 2]" 1
1569 1 65 LEU HA 1 66 LEU HA . . 4.810 4.766 4.666 4.842 0.032 3 0 "[ . 1 . 2]" 1
1570 1 65 LEU HA 1 67 GLY H . . 4.930 3.485 3.396 3.603 . 0 0 "[ . 1 . 2]" 1
1571 1 65 LEU HA 1 68 ALA H . . 5.130 5.002 4.830 5.128 . 0 0 "[ . 1 . 2]" 1
1572 1 65 LEU HB2 1 65 LEU MD1 . . 3.360 2.206 2.061 2.250 . 0 0 "[ . 1 . 2]" 1
1573 1 65 LEU HB2 1 66 LEU H . . 3.460 3.208 3.010 3.462 0.002 15 0 "[ . 1 . 2]" 1
1574 1 65 LEU HB3 1 65 LEU MD1 . . 3.520 2.584 2.545 2.620 . 0 0 "[ . 1 . 2]" 1
1575 1 65 LEU HB3 1 65 LEU MD2 . . 3.120 2.288 2.235 2.326 . 0 0 "[ . 1 . 2]" 1
1576 1 65 LEU HB3 1 66 LEU H . . 4.330 4.115 3.955 4.293 . 0 0 "[ . 1 . 2]" 1
1577 1 65 LEU HB3 1 66 LEU HA . . 5.200 4.658 4.561 4.752 . 0 0 "[ . 1 . 2]" 1
1578 1 65 LEU HB3 1 67 GLY H . . 5.500 5.146 4.978 5.300 . 0 0 "[ . 1 . 2]" 1
1579 1 65 LEU MD1 1 66 LEU H . . 4.950 4.748 4.540 4.963 0.013 15 0 "[ . 1 . 2]" 1
1580 1 65 LEU MD2 1 66 LEU H . . 4.820 4.955 4.923 4.994 0.174 7 0 "[ . 1 . 2]" 1
1581 1 65 LEU HG 1 66 LEU H . . 4.990 4.538 4.458 4.620 . 0 0 "[ . 1 . 2]" 1
1582 1 66 LEU H 1 66 LEU HB2 . . 3.380 2.156 2.061 2.313 . 0 0 "[ . 1 . 2]" 1
1583 1 66 LEU H 1 66 LEU QD . . 3.970 2.772 2.242 3.374 . 0 0 "[ . 1 . 2]" 1
1584 1 66 LEU H 1 66 LEU HG . . 5.090 3.543 2.418 4.263 . 0 0 "[ . 1 . 2]" 1
1585 1 66 LEU H 1 67 GLY H . . 3.650 2.549 2.347 2.701 . 0 0 "[ . 1 . 2]" 1
1586 1 66 LEU H 1 68 ALA H . . 5.500 3.661 3.484 3.846 . 0 0 "[ . 1 . 2]" 1
1587 1 66 LEU HA 1 66 LEU QD . . 2.810 1.990 1.907 2.165 . 0 0 "[ . 1 . 2]" 1
1588 1 66 LEU HA 1 66 LEU HG . . 3.920 2.829 2.660 2.962 . 0 0 "[ . 1 . 2]" 1
1589 1 66 LEU HA 1 67 GLY HA3 . . 4.930 4.523 4.497 4.540 . 0 0 "[ . 1 . 2]" 1
1590 1 66 LEU HA 1 68 ALA H . . 5.430 5.030 4.745 5.277 . 0 0 "[ . 1 . 2]" 1
1591 1 66 LEU HA 1 68 ALA MB . . 5.500 5.499 5.437 5.523 0.023 16 0 "[ . 1 . 2]" 1
1592 1 66 LEU HB2 1 67 GLY H . . 4.180 3.386 3.196 3.509 . 0 0 "[ . 1 . 2]" 1
1593 1 66 LEU HB2 1 68 ALA H . . 5.360 3.779 3.423 4.165 . 0 0 "[ . 1 . 2]" 1
1594 1 66 LEU HB2 1 68 ALA MB . . 4.840 3.429 3.205 3.563 . 0 0 "[ . 1 . 2]" 1
1595 1 66 LEU HB3 1 66 LEU QD . . 3.210 2.303 2.088 2.468 . 0 0 "[ . 1 . 2]" 1
1596 1 66 LEU HB3 1 67 GLY H . . 4.490 3.912 3.696 4.174 . 0 0 "[ . 1 . 2]" 1
1597 1 66 LEU QD 1 67 GLY H . . 5.190 4.235 4.037 4.450 . 0 0 "[ . 1 . 2]" 1
1598 1 66 LEU QD 1 68 ALA MB . . 5.100 4.063 3.847 4.269 . 0 0 "[ . 1 . 2]" 1
1599 1 66 LEU HG 1 67 GLY H . . 5.500 5.183 4.711 5.507 0.007 7 0 "[ . 1 . 2]" 1
1600 1 67 GLY H 1 68 ALA H . . 3.650 2.009 1.888 2.191 . 0 0 "[ . 1 . 2]" 1
1601 1 67 GLY H 1 68 ALA MB . . 4.770 3.660 3.524 3.779 . 0 0 "[ . 1 . 2]" 1
1602 1 67 GLY HA2 1 68 ALA MB . . 4.770 4.671 4.565 4.791 0.021 7 0 "[ . 1 . 2]" 1
1603 1 67 GLY HA2 1 69 SER H . . 5.500 4.358 3.201 5.198 . 0 0 "[ . 1 . 2]" 1
1604 1 67 GLY HA3 1 68 ALA HA . . 5.070 4.538 4.491 4.556 . 0 0 "[ . 1 . 2]" 1
1605 1 67 GLY HA3 1 68 ALA MB . . 4.810 4.722 4.548 4.820 0.010 9 0 "[ . 1 . 2]" 1
1606 1 68 ALA H 1 68 ALA MB . . 3.150 2.218 2.032 2.416 . 0 0 "[ . 1 . 2]" 1
1607 1 68 ALA H 1 69 SER H . . 4.010 2.936 2.220 3.634 . 0 0 "[ . 1 . 2]" 1
1608 1 68 ALA MB 1 69 SER H . . 4.130 2.748 1.926 3.793 . 0 0 "[ . 1 . 2]" 1
1609 1 68 ALA MB 1 69 SER HA . . 5.110 4.021 3.649 4.425 . 0 0 "[ . 1 . 2]" 1
1610 1 69 SER H 1 69 SER HB2 . . 3.930 2.766 2.046 3.917 . 0 0 "[ . 1 . 2]" 1
1611 1 69 SER HB3 1 70 GLY H . . 5.050 3.045 2.152 4.071 . 0 0 "[ . 1 . 2]" 1
1612 1 70 GLY HA2 1 71 PRO HD3 . . 3.640 2.558 1.978 3.657 0.017 14 0 "[ . 1 . 2]" 1
1613 1 70 GLY HA3 1 71 PRO HD3 . . 3.640 2.857 1.997 3.763 0.123 2 0 "[ . 1 . 2]" 1
1614 1 72 SER H 1 73 SER H . . 5.500 3.889 2.185 4.647 . 0 0 "[ . 1 . 2]" 1
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