NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
586693 |
2mr7   |
25064 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mr7
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 938
_Distance_constraint_stats_list.Viol_count 1185
_Distance_constraint_stats_list.Viol_total 3245.467
_Distance_constraint_stats_list.Viol_max 0.972
_Distance_constraint_stats_list.Viol_rms 0.0521
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.1369
_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 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.019 0.019 8 0 "[ . 1 . 2]"
1 11 THR 1.667 0.206 18 0 "[ . 1 . 2]"
1 12 GLU 9.816 0.554 20 3 "[ . 1* .- +]"
1 13 LYS 5.581 0.542 20 2 "[ . 1 .- +]"
1 14 VAL 4.903 0.539 16 1 "[ . 1 .+ 2]"
1 15 LEU 5.146 0.461 8 0 "[ . 1 . 2]"
1 16 CYS 1.543 0.225 3 0 "[ . 1 . 2]"
1 17 ALA 2.579 0.294 20 0 "[ . 1 . 2]"
1 18 LEU 20.321 0.734 18 10 "[ **** * 1 * .**+*2]"
1 19 TYR 0.068 0.068 6 0 "[ . 1 . 2]"
1 20 ALA 0.047 0.020 10 0 "[ . 1 . 2]"
1 21 GLU 2.360 0.412 19 0 "[ . 1 . 2]"
1 22 ILE 5.603 0.412 19 0 "[ . 1 . 2]"
1 23 LEU 1.909 0.192 20 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 1.462 0.277 19 0 "[ . 1 . 2]"
1 26 GLU 4.400 0.612 4 2 "[ +. 1 . - 2]"
1 27 ARG 8.262 0.788 18 4 "[ *. 1 . *+*2]"
1 28 VAL 6.168 0.788 18 3 "[ . 1 . -+*2]"
1 29 GLY 0.095 0.028 10 0 "[ . 1 . 2]"
1 30 VAL 7.590 0.663 19 4 "[ . 1* .- +*]"
1 31 ASP 2.476 0.663 19 1 "[ . 1 . +2]"
1 32 ASP 4.841 0.381 10 0 "[ . 1 . 2]"
1 33 ALA 0.277 0.070 7 0 "[ . 1 . 2]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 HIS 0.019 0.011 11 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 1.534 0.277 19 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 4.322 0.972 20 5 "[ -. * 1 * *. +]"
1 42 ALA 6.385 0.972 20 5 "[ -. * 1 * *. +]"
1 43 LEU 1.647 0.329 19 0 "[ . 1 . 2]"
1 44 ALA 2.472 0.202 20 0 "[ . 1 . 2]"
1 45 MET 9.944 0.338 14 0 "[ . 1 . 2]"
1 46 ARG 6.347 0.545 8 5 "[* - . + * . * 2]"
1 47 LEU 12.152 0.545 8 5 "[* - . + * . * 2]"
1 48 ILE 7.398 0.365 9 0 "[ . 1 . 2]"
1 49 ALA 0.045 0.021 13 0 "[ . 1 . 2]"
1 50 ARG 1.514 0.235 6 0 "[ . 1 . 2]"
1 51 ILE 21.055 0.734 18 5 "[ - . 1 * .* +*2]"
1 52 ARG 9.842 0.767 12 3 "[* . 1 + -. 2]"
1 53 GLU 15.645 0.767 12 10 "[* * . - 1 +***** *]"
1 54 GLU 16.766 0.734 20 9 "[ * * - 1 ** *** +]"
1 55 LEU 3.823 0.263 20 0 "[ . 1 . 2]"
1 56 GLY 0.859 0.118 19 0 "[ . 1 . 2]"
1 57 VAL 3.096 0.263 20 0 "[ . 1 . 2]"
1 58 ASP 0.426 0.043 10 0 "[ . 1 . 2]"
1 59 LEU 9.980 0.939 4 4 "[ *+- 1 * 2]"
1 60 PRO 6.341 0.497 4 0 "[ . 1 . 2]"
1 61 ILE 0.168 0.094 12 0 "[ . 1 . 2]"
1 62 ARG 6.269 0.588 13 1 "[ . 1 + . 2]"
1 63 GLN 8.732 0.695 3 4 "[ + - 1 * * 2]"
1 64 LEU 2.731 0.939 4 1 "[ +. 1 . 2]"
1 65 PHE 1.010 0.122 16 0 "[ . 1 . 2]"
1 66 SER 1.466 0.230 6 0 "[ . 1 . 2]"
1 67 SER 1.643 0.230 6 0 "[ . 1 . 2]"
1 68 PRO 0.228 0.070 7 0 "[ . 1 . 2]"
1 69 THR 2.730 0.276 19 0 "[ . 1 . 2]"
1 70 PRO 2.834 0.381 10 0 "[ . 1 . 2]"
1 71 ALA 4.592 0.276 19 0 "[ . 1 . 2]"
1 72 GLY 0.314 0.069 16 0 "[ . 1 . 2]"
1 73 VAL 0.455 0.071 20 0 "[ . 1 . 2]"
1 74 ALA 1.552 0.206 18 0 "[ . 1 . 2]"
1 75 ARG 5.480 0.675 14 1 "[ . 1 +. 2]"
1 76 ALA 0.204 0.057 12 0 "[ . 1 . 2]"
1 77 LEU 5.657 0.331 5 0 "[ . 1 . 2]"
1 78 ALA 3.756 0.331 5 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 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 5 LYS HA 1 5 LYS QG 3.790 . 3.790 2.643 2.223 3.394 . 0 0 "[ . 1 . 2]" 1
2 1 7 PRO HA 1 8 GLU H 3.360 . 3.360 2.331 2.162 2.610 . 0 0 "[ . 1 . 2]" 1
3 1 7 PRO HA 1 8 GLU QB 4.640 . 4.640 4.286 4.040 4.470 . 0 0 "[ . 1 . 2]" 1
4 1 7 PRO HB2 1 8 GLU H 3.850 . 3.850 2.911 2.292 3.478 . 0 0 "[ . 1 . 2]" 1
5 1 7 PRO HB3 1 8 GLU H 4.370 . 4.370 3.670 3.144 3.981 . 0 0 "[ . 1 . 2]" 1
6 1 10 ALA HA 1 12 GLU H 4.730 . 4.730 4.351 3.943 4.674 . 0 0 "[ . 1 . 2]" 1
7 1 10 ALA HA 1 13 LYS H 4.180 . 4.180 3.723 3.424 4.121 . 0 0 "[ . 1 . 2]" 1
8 1 10 ALA HA 1 13 LYS QE 5.230 . 5.230 3.840 1.945 5.249 0.019 8 0 "[ . 1 . 2]" 1
9 1 10 ALA MB 1 11 THR MG 4.920 . 4.920 3.098 3.002 3.198 . 0 0 "[ . 1 . 2]" 1
10 1 10 ALA MB 1 14 VAL MG2 4.490 . 4.490 3.781 2.905 4.319 . 0 0 "[ . 1 . 2]" 1
11 1 10 ALA MB 1 14 VAL MG2 4.880 . 4.880 3.049 2.733 3.376 . 0 0 "[ . 1 . 2]" 1
12 1 11 THR HA 1 11 THR MG 3.270 . 3.270 2.289 2.169 2.368 . 0 0 "[ . 1 . 2]" 1
13 1 11 THR HA 1 13 LYS H 4.540 . 4.540 4.381 4.085 4.573 0.033 20 0 "[ . 1 . 2]" 1
14 1 11 THR HA 1 14 VAL H 3.560 . 3.560 3.148 2.968 3.335 . 0 0 "[ . 1 . 2]" 1
15 1 11 THR HA 1 14 VAL MG2 3.240 . 3.240 2.331 2.278 2.381 . 0 0 "[ . 1 . 2]" 1
16 1 11 THR HA 1 14 VAL HB 3.650 . 3.650 3.198 2.913 3.611 . 0 0 "[ . 1 . 2]" 1
17 1 11 THR HA 1 14 VAL MG1 4.110 . 4.110 2.996 2.782 3.268 . 0 0 "[ . 1 . 2]" 1
18 1 11 THR HA 1 14 VAL MG2 4.000 . 4.000 3.137 2.850 3.370 . 0 0 "[ . 1 . 2]" 1
19 1 11 THR HA 1 15 LEU H 4.700 . 4.700 4.274 4.001 4.617 . 0 0 "[ . 1 . 2]" 1
20 1 11 THR HA 1 15 LEU QD 4.210 . 4.210 2.958 2.756 3.174 . 0 0 "[ . 1 . 2]" 1
21 1 11 THR HA 1 15 LEU QD 3.830 . 3.830 2.885 2.450 3.342 . 0 0 "[ . 1 . 2]" 1
22 1 11 THR HA 1 55 LEU QD 3.940 . 3.940 3.045 2.803 3.339 . 0 0 "[ . 1 . 2]" 1
23 1 11 THR HB 1 12 GLU H 4.000 . 4.000 2.665 2.413 3.224 . 0 0 "[ . 1 . 2]" 1
24 1 11 THR HB 1 15 LEU QD 3.820 . 3.820 2.932 2.443 3.504 . 0 0 "[ . 1 . 2]" 1
25 1 11 THR HB 1 74 ALA MB 3.850 . 3.850 2.826 2.230 3.377 . 0 0 "[ . 1 . 2]" 1
26 1 11 THR MG 1 12 GLU H 4.450 . 4.450 3.882 3.617 4.249 . 0 0 "[ . 1 . 2]" 1
27 1 11 THR MG 1 12 GLU HG3 4.830 . 4.830 3.660 3.505 3.830 . 0 0 "[ . 1 . 2]" 1
28 1 11 THR MG 1 14 VAL H 4.820 . 4.820 4.704 4.598 4.863 0.043 8 0 "[ . 1 . 2]" 1
29 1 11 THR MG 1 14 VAL MG1 3.980 . 3.980 2.141 1.978 2.403 . 0 0 "[ . 1 . 2]" 1
30 1 11 THR MG 1 14 VAL MG2 4.200 . 4.200 4.188 3.825 4.370 0.170 20 0 "[ . 1 . 2]" 1
31 1 11 THR MG 1 15 LEU H 4.700 . 4.700 4.131 3.886 4.730 0.030 8 0 "[ . 1 . 2]" 1
32 1 11 THR MG 1 15 LEU HB2 4.680 . 4.680 3.223 2.758 4.192 . 0 0 "[ . 1 . 2]" 1
33 1 11 THR MG 1 15 LEU QD 3.180 . 3.180 1.851 1.721 1.958 . 0 0 "[ . 1 . 2]" 1
34 1 11 THR MG 1 15 LEU HG 3.890 . 3.890 3.126 2.681 4.002 0.112 18 0 "[ . 1 . 2]" 1
35 1 11 THR MG 1 55 LEU QD 3.440 . 3.440 2.146 1.980 2.410 . 0 0 "[ . 1 . 2]" 1
36 1 11 THR MG 1 74 ALA HA 3.800 . 3.800 3.613 3.134 4.006 0.206 18 0 "[ . 1 . 2]" 1
37 1 11 THR MG 1 74 ALA MB 3.630 . 3.630 3.153 2.861 3.523 . 0 0 "[ . 1 . 2]" 1
38 1 11 THR MG 1 77 LEU MD2 3.860 . 3.860 3.156 2.553 4.004 0.144 1 0 "[ . 1 . 2]" 1
39 1 12 GLU H 1 12 GLU HB2 3.700 . 3.700 2.412 2.124 2.584 . 0 0 "[ . 1 . 2]" 1
40 1 12 GLU H 1 12 GLU HB3 3.850 . 3.850 3.562 3.209 3.650 . 0 0 "[ . 1 . 2]" 1
41 1 12 GLU H 1 12 GLU HG2 4.070 . 4.070 3.702 3.226 4.072 0.002 12 0 "[ . 1 . 2]" 1
42 1 12 GLU H 1 12 GLU HG2 4.390 . 4.390 3.625 3.210 3.990 . 0 0 "[ . 1 . 2]" 1
43 1 12 GLU H 1 12 GLU HG3 4.170 . 4.170 2.712 1.943 3.998 . 0 0 "[ . 1 . 2]" 1
44 1 12 GLU H 1 13 LYS QB 5.240 . 5.240 4.946 4.701 5.240 . 0 0 "[ . 1 . 2]" 1
45 1 12 GLU H 1 13 LYS HG3 5.380 . 5.380 5.065 4.026 5.922 0.542 20 1 "[ . 1 . +]" 1
46 1 12 GLU H 1 14 VAL H 4.640 . 4.640 4.274 4.035 4.412 . 0 0 "[ . 1 . 2]" 1
47 1 12 GLU H 1 15 LEU QD 4.360 . 4.360 3.918 3.747 4.083 . 0 0 "[ . 1 . 2]" 1
48 1 12 GLU H 1 74 ALA MB 4.400 . 4.400 3.754 3.476 4.118 . 0 0 "[ . 1 . 2]" 1
49 1 12 GLU HA 1 15 LEU H 4.320 . 4.320 3.580 3.430 3.710 . 0 0 "[ . 1 . 2]" 1
50 1 12 GLU HA 1 15 LEU QD 3.590 . 3.590 2.227 1.998 2.425 . 0 0 "[ . 1 . 2]" 1
51 1 12 GLU HA 1 16 CYS H 4.100 . 4.100 3.938 3.754 4.092 . 0 0 "[ . 1 . 2]" 1
52 1 12 GLU HA 1 74 ALA MB 4.350 . 4.350 3.025 2.684 3.419 . 0 0 "[ . 1 . 2]" 1
53 1 12 GLU HB2 1 13 LYS H 3.880 . 3.880 2.717 2.461 3.455 . 0 0 "[ . 1 . 2]" 1
54 1 12 GLU HB3 1 13 LYS H 4.160 . 4.160 3.558 2.868 3.832 . 0 0 "[ . 1 . 2]" 1
55 1 12 GLU HB3 1 30 VAL MG1 4.080 . 4.080 2.918 2.394 4.384 0.304 11 0 "[ . 1 . 2]" 1
56 1 12 GLU HG2 1 30 VAL MG1 4.830 . 4.830 4.008 3.473 4.604 . 0 0 "[ . 1 . 2]" 1
57 1 12 GLU HG3 1 13 LYS H 4.960 . 4.960 4.227 3.899 4.563 . 0 0 "[ . 1 . 2]" 1
58 1 12 GLU HG3 1 15 LEU QD 3.830 . 3.830 3.793 3.304 4.291 0.461 8 0 "[ . 1 . 2]" 1
59 1 12 GLU HG3 1 30 VAL MG1 4.540 . 4.540 4.810 4.555 5.094 0.554 20 3 "[ . 1* .- +]" 1
60 1 12 GLU HG3 1 74 ALA MB 4.290 . 4.290 2.553 2.183 2.990 . 0 0 "[ . 1 . 2]" 1
61 1 13 LYS H 1 13 LYS HB2 3.840 . 3.840 3.105 2.463 3.672 . 0 0 "[ . 1 . 2]" 1
62 1 13 LYS H 1 13 LYS QB 3.140 . 3.140 2.541 2.324 2.690 . 0 0 "[ . 1 . 2]" 1
63 1 13 LYS H 1 13 LYS QD 4.880 . 4.880 3.737 2.950 4.383 . 0 0 "[ . 1 . 2]" 1
64 1 13 LYS H 1 13 LYS HG2 4.180 . 4.180 2.469 1.704 3.656 . 0 0 "[ . 1 . 2]" 1
65 1 13 LYS H 1 13 LYS HG3 3.460 . 3.460 2.909 2.036 3.561 0.101 10 0 "[ . 1 . 2]" 1
66 1 13 LYS H 1 14 VAL H 3.600 . 3.600 2.662 2.536 2.787 . 0 0 "[ . 1 . 2]" 1
67 1 13 LYS H 1 14 VAL MG2 4.530 . 4.530 4.103 3.938 4.266 . 0 0 "[ . 1 . 2]" 1
68 1 13 LYS H 1 15 LEU H 5.500 . 5.500 4.227 3.942 4.499 . 0 0 "[ . 1 . 2]" 1
69 1 13 LYS H 1 15 LEU QD 4.950 . 4.950 4.823 4.487 4.994 0.044 20 0 "[ . 1 . 2]" 1
70 1 13 LYS HA 1 16 CYS H 4.150 . 4.150 3.399 3.132 3.750 . 0 0 "[ . 1 . 2]" 1
71 1 13 LYS HA 1 16 CYS HB3 4.130 . 4.130 3.855 2.824 4.194 0.064 6 0 "[ . 1 . 2]" 1
72 1 13 LYS HA 1 17 ALA H 4.600 . 4.600 4.088 3.870 4.287 . 0 0 "[ . 1 . 2]" 1
73 1 13 LYS QB 1 13 LYS QE 4.150 . 4.150 3.177 2.086 3.855 . 0 0 "[ . 1 . 2]" 1
74 1 13 LYS QB 1 14 VAL H 3.550 . 3.550 3.090 2.398 3.662 0.112 8 0 "[ . 1 . 2]" 1
75 1 13 LYS QB 1 14 VAL MG2 4.630 . 4.630 3.662 2.930 4.309 . 0 0 "[ . 1 . 2]" 1
76 1 13 LYS HB3 1 14 VAL H 4.050 . 4.050 3.967 3.580 4.224 0.174 14 0 "[ . 1 . 2]" 1
77 1 13 LYS QE 1 13 LYS HG2 3.870 . 3.870 2.719 2.253 3.566 . 0 0 "[ . 1 . 2]" 1
78 1 13 LYS HG3 1 14 VAL H 4.330 . 4.330 3.489 2.124 4.869 0.539 16 1 "[ . 1 .+ 2]" 1
79 1 13 LYS HG3 1 14 VAL HA 4.030 . 4.030 2.951 2.708 3.177 . 0 0 "[ . 1 . 2]" 1
80 1 13 LYS HG3 1 14 VAL MG2 5.080 . 5.080 3.359 2.329 4.366 . 0 0 "[ . 1 . 2]" 1
81 1 14 VAL H 1 14 VAL HB 3.190 . 3.190 2.499 2.399 2.570 . 0 0 "[ . 1 . 2]" 1
82 1 14 VAL H 1 14 VAL MG1 3.950 . 3.950 3.794 3.708 3.830 . 0 0 "[ . 1 . 2]" 1
83 1 14 VAL H 1 14 VAL MG2 3.130 . 3.130 2.216 2.114 2.321 . 0 0 "[ . 1 . 2]" 1
84 1 14 VAL H 1 15 LEU H 3.520 . 3.520 2.523 2.406 2.746 . 0 0 "[ . 1 . 2]" 1
85 1 14 VAL H 1 15 LEU QD 4.800 . 4.800 4.456 4.184 4.578 . 0 0 "[ . 1 . 2]" 1
86 1 14 VAL H 1 15 LEU HG 4.420 . 4.420 4.361 3.764 4.488 0.068 10 0 "[ . 1 . 2]" 1
87 1 14 VAL H 1 17 ALA H 5.100 . 5.100 4.795 4.625 4.939 . 0 0 "[ . 1 . 2]" 1
88 1 14 VAL HA 1 14 VAL MG2 3.290 . 3.290 2.407 2.316 2.460 . 0 0 "[ . 1 . 2]" 1
89 1 14 VAL HA 1 16 CYS H 4.900 . 4.900 4.506 4.409 4.607 . 0 0 "[ . 1 . 2]" 1
90 1 14 VAL HA 1 17 ALA H 3.990 . 3.990 3.572 3.319 3.740 . 0 0 "[ . 1 . 2]" 1
91 1 14 VAL HA 1 17 ALA MB 3.670 . 3.670 3.020 2.756 3.184 . 0 0 "[ . 1 . 2]" 1
92 1 14 VAL HB 1 15 LEU H 3.660 . 3.660 2.469 2.376 2.525 . 0 0 "[ . 1 . 2]" 1
93 1 14 VAL HB 1 55 LEU QD 4.030 . 4.030 2.574 2.259 2.841 . 0 0 "[ . 1 . 2]" 1
94 1 14 VAL MG1 1 15 LEU H 3.550 . 3.550 3.368 3.116 3.477 . 0 0 "[ . 1 . 2]" 1
95 1 14 VAL MG1 1 15 LEU HA 4.370 . 4.370 2.601 2.087 2.997 . 0 0 "[ . 1 . 2]" 1
96 1 14 VAL MG1 1 17 ALA H 5.060 . 5.060 4.766 4.589 4.929 . 0 0 "[ . 1 . 2]" 1
97 1 14 VAL MG1 1 17 ALA MB 4.290 . 4.290 3.868 3.563 4.081 . 0 0 "[ . 1 . 2]" 1
98 1 14 VAL MG1 1 54 GLU HA 4.240 . 4.240 2.281 2.145 2.714 . 0 0 "[ . 1 . 2]" 1
99 1 14 VAL MG1 1 54 GLU HB2 4.150 . 4.150 3.141 2.922 4.254 0.104 13 0 "[ . 1 . 2]" 1
100 1 14 VAL MG1 1 54 GLU HB3 4.070 . 4.070 2.261 2.042 4.070 0.000 13 0 "[ . 1 . 2]" 1
101 1 14 VAL MG1 1 54 GLU HG2 4.540 . 4.540 3.979 2.275 4.306 . 0 0 "[ . 1 . 2]" 1
102 1 14 VAL MG1 1 54 GLU HG3 4.910 . 4.910 2.905 2.362 3.687 . 0 0 "[ . 1 . 2]" 1
103 1 14 VAL MG2 1 15 LEU H 4.610 . 4.610 3.779 3.719 3.849 . 0 0 "[ . 1 . 2]" 1
104 1 14 VAL MG2 1 15 LEU H 3.740 . 3.740 2.461 2.255 3.330 . 0 0 "[ . 1 . 2]" 1
105 1 14 VAL MG2 1 15 LEU HA 5.500 . 5.500 5.398 5.304 5.441 . 0 0 "[ . 1 . 2]" 1
106 1 14 VAL MG2 1 55 LEU HG 5.500 . 5.500 4.693 4.025 5.195 . 0 0 "[ . 1 . 2]" 1
107 1 15 LEU H 1 15 LEU HB2 4.020 . 4.020 2.528 2.273 3.646 . 0 0 "[ . 1 . 2]" 1
108 1 15 LEU H 1 15 LEU HB3 3.600 . 3.600 3.422 2.547 3.626 0.026 20 0 "[ . 1 . 2]" 1
109 1 15 LEU H 1 15 LEU QD 3.270 . 3.270 2.992 2.766 3.109 . 0 0 "[ . 1 . 2]" 1
110 1 15 LEU H 1 15 LEU QD 3.670 . 3.670 2.494 2.208 2.643 . 0 0 "[ . 1 . 2]" 1
111 1 15 LEU H 1 15 LEU HG 3.240 . 3.240 2.286 1.826 2.415 . 0 0 "[ . 1 . 2]" 1
112 1 15 LEU H 1 16 CYS H 3.730 . 3.730 2.712 2.598 2.881 . 0 0 "[ . 1 . 2]" 1
113 1 15 LEU H 1 17 ALA H 5.020 . 5.020 4.311 4.211 4.414 . 0 0 "[ . 1 . 2]" 1
114 1 15 LEU H 1 18 LEU MD1 5.150 . 5.150 4.911 4.484 5.490 0.340 19 0 "[ . 1 . 2]" 1
115 1 15 LEU HA 1 15 LEU QD 3.980 . 3.980 2.272 2.117 2.586 . 0 0 "[ . 1 . 2]" 1
116 1 15 LEU HA 1 15 LEU QD 4.070 . 4.070 2.259 2.109 2.557 . 0 0 "[ . 1 . 2]" 1
117 1 15 LEU HA 1 17 ALA H 4.460 . 4.460 4.450 4.297 4.597 0.137 20 0 "[ . 1 . 2]" 1
118 1 15 LEU HA 1 17 ALA MB 4.560 . 4.560 3.378 3.128 3.625 . 0 0 "[ . 1 . 2]" 1
119 1 15 LEU HA 1 18 LEU H 4.000 . 4.000 3.331 3.113 3.631 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU HA 1 18 LEU MD2 3.660 . 3.660 3.181 2.486 3.686 0.026 1 0 "[ . 1 . 2]" 1
121 1 15 LEU HB2 1 16 CYS H 4.160 . 4.160 2.796 2.522 4.069 . 0 0 "[ . 1 . 2]" 1
122 1 15 LEU HB2 1 55 LEU QD 5.500 . 5.500 4.826 4.125 5.272 . 0 0 "[ . 1 . 2]" 1
123 1 15 LEU HB3 1 16 CYS H 3.980 . 3.980 3.620 3.412 4.205 0.225 3 0 "[ . 1 . 2]" 1
124 1 15 LEU QD 1 16 CYS H 4.080 . 4.080 3.801 2.506 4.070 . 0 0 "[ . 1 . 2]" 1
125 1 15 LEU QD 1 16 CYS H 4.440 . 4.440 3.573 2.493 3.797 . 0 0 "[ . 1 . 2]" 1
126 1 15 LEU QD 1 74 ALA H 3.770 . 3.770 2.906 2.567 3.210 . 0 0 "[ . 1 . 2]" 1
127 1 15 LEU QD 1 19 TYR QE 5.120 . 5.120 2.827 2.416 3.064 . 0 0 "[ . 1 . 2]" 1
128 1 15 LEU QD 1 71 ALA HA 4.780 . 4.780 3.577 3.171 3.899 . 0 0 "[ . 1 . 2]" 1
129 1 15 LEU QD 1 74 ALA H 4.300 . 4.300 2.644 2.446 2.822 . 0 0 "[ . 1 . 2]" 1
130 1 15 LEU QD 1 74 ALA H 3.890 . 3.890 3.068 2.658 3.441 . 0 0 "[ . 1 . 2]" 1
131 1 15 LEU QD 1 74 ALA MB 3.750 . 3.750 2.189 2.026 2.554 . 0 0 "[ . 1 . 2]" 1
132 1 16 CYS H 1 16 CYS HB3 3.540 . 3.540 3.415 2.556 3.620 0.080 7 0 "[ . 1 . 2]" 1
133 1 16 CYS H 1 17 ALA H 3.510 . 3.510 2.838 2.693 2.939 . 0 0 "[ . 1 . 2]" 1
134 1 16 CYS H 1 17 ALA MB 4.480 . 4.480 3.362 3.061 3.943 . 0 0 "[ . 1 . 2]" 1
135 1 16 CYS H 1 70 PRO HB3 4.900 . 4.900 4.180 3.859 4.791 . 0 0 "[ . 1 . 2]" 1
136 1 16 CYS HA 1 19 TYR H 4.510 . 4.510 3.484 3.192 3.645 . 0 0 "[ . 1 . 2]" 1
137 1 16 CYS HA 1 20 ALA H 4.880 . 4.880 4.547 4.350 4.815 . 0 0 "[ . 1 . 2]" 1
138 1 16 CYS HA 1 28 VAL QG 4.020 . 4.020 2.538 2.193 3.221 . 0 0 "[ . 1 . 2]" 1
139 1 16 CYS HB3 1 17 ALA H 3.410 . 3.410 3.204 2.391 3.486 0.076 6 0 "[ . 1 . 2]" 1
140 1 16 CYS HB3 1 28 VAL QG 4.590 . 4.590 3.309 2.757 4.059 . 0 0 "[ . 1 . 2]" 1
141 1 16 CYS HB3 1 28 VAL QG 4.370 . 4.370 2.496 2.188 2.803 . 0 0 "[ . 1 . 2]" 1
142 1 17 ALA H 1 17 ALA MB 2.880 . 2.880 2.238 2.169 2.269 . 0 0 "[ . 1 . 2]" 1
143 1 17 ALA H 1 18 LEU H 3.350 . 3.350 2.637 2.568 2.715 . 0 0 "[ . 1 . 2]" 1
144 1 17 ALA H 1 18 LEU MD2 4.770 . 4.770 4.365 4.239 4.428 . 0 0 "[ . 1 . 2]" 1
145 1 17 ALA H 1 19 TYR H 4.660 . 4.660 4.116 3.956 4.206 . 0 0 "[ . 1 . 2]" 1
146 1 17 ALA H 1 20 ALA H 5.430 . 5.430 4.973 4.773 5.257 . 0 0 "[ . 1 . 2]" 1
147 1 17 ALA HA 1 20 ALA H 3.910 . 3.910 3.374 3.138 3.773 . 0 0 "[ . 1 . 2]" 1
148 1 17 ALA HA 1 20 ALA MB 3.350 . 3.350 2.876 2.526 3.226 . 0 0 "[ . 1 . 2]" 1
149 1 17 ALA HA 1 28 VAL QG 3.620 . 3.620 3.709 3.497 3.914 0.294 20 0 "[ . 1 . 2]" 1
150 1 17 ALA MB 1 18 LEU H 3.560 . 3.560 2.608 2.500 2.683 . 0 0 "[ . 1 . 2]" 1
151 1 17 ALA MB 1 19 TYR H 4.730 . 4.730 4.517 4.455 4.608 . 0 0 "[ . 1 . 2]" 1
152 1 18 LEU H 1 18 LEU HB2 3.120 . 3.120 2.211 1.897 2.571 . 0 0 "[ . 1 . 2]" 1
153 1 18 LEU H 1 18 LEU HB3 3.810 . 3.810 3.448 3.136 3.677 . 0 0 "[ . 1 . 2]" 1
154 1 18 LEU H 1 18 LEU MD1 3.960 . 3.960 3.253 2.654 3.858 . 0 0 "[ . 1 . 2]" 1
155 1 18 LEU H 1 18 LEU MD1 4.490 . 4.490 2.920 2.493 3.412 . 0 0 "[ . 1 . 2]" 1
156 1 18 LEU H 1 18 LEU MD2 3.540 . 3.540 3.651 3.075 3.975 0.435 5 0 "[ . 1 . 2]" 1
157 1 18 LEU H 1 19 TYR H 3.700 . 3.700 2.711 2.574 2.813 . 0 0 "[ . 1 . 2]" 1
158 1 18 LEU H 1 20 ALA H 5.100 . 5.100 4.265 4.085 4.550 . 0 0 "[ . 1 . 2]" 1
159 1 18 LEU HA 1 18 LEU MD1 4.340 . 4.340 2.877 1.996 3.880 . 0 0 "[ . 1 . 2]" 1
160 1 18 LEU HA 1 18 LEU MD1 4.340 . 4.340 2.055 1.850 2.296 . 0 0 "[ . 1 . 2]" 1
161 1 18 LEU HA 1 18 LEU MD2 3.220 . 3.220 3.001 2.039 3.840 0.620 12 9 "[ **** * 1 + . *-*2]" 1
162 1 18 LEU HA 1 21 GLU H 3.630 . 3.630 3.269 3.097 3.557 . 0 0 "[ . 1 . 2]" 1
163 1 18 LEU HA 1 21 GLU QB 4.030 . 4.030 2.854 2.251 3.834 . 0 0 "[ . 1 . 2]" 1
164 1 18 LEU HA 1 22 ILE H 4.440 . 4.440 4.235 3.982 4.459 0.019 10 0 "[ . 1 . 2]" 1
165 1 18 LEU HB2 1 18 LEU MD1 3.160 . 3.160 2.428 2.230 2.632 . 0 0 "[ . 1 . 2]" 1
166 1 18 LEU HB2 1 18 LEU MD2 3.270 . 3.270 2.718 2.202 3.256 . 0 0 "[ . 1 . 2]" 1
167 1 18 LEU HB2 1 19 TYR H 3.910 . 3.910 3.058 2.734 3.368 . 0 0 "[ . 1 . 2]" 1
168 1 18 LEU HB2 1 19 TYR QD 4.860 . 4.860 3.652 3.076 4.163 . 0 0 "[ . 1 . 2]" 1
169 1 18 LEU HB2 1 47 LEU QD 4.080 . 4.080 2.652 2.405 3.038 . 0 0 "[ . 1 . 2]" 1
170 1 18 LEU HB3 1 19 TYR H 4.490 . 4.490 3.457 3.001 3.924 . 0 0 "[ . 1 . 2]" 1
171 1 18 LEU MD1 1 19 TYR H 4.930 . 4.930 4.224 4.086 4.357 . 0 0 "[ . 1 . 2]" 1
172 1 18 LEU MD1 1 51 ILE H 4.640 . 4.640 3.425 3.049 3.798 . 0 0 "[ . 1 . 2]" 1
173 1 18 LEU MD1 1 51 ILE HA 4.000 . 4.000 3.583 2.360 4.734 0.734 18 5 "[ - . 1 * .* +*2]" 1
174 1 18 LEU MD1 1 51 ILE HA 3.420 . 3.420 2.387 2.135 2.640 . 0 0 "[ . 1 . 2]" 1
175 1 18 LEU MD1 1 54 GLU H 4.490 . 4.490 4.485 3.799 5.130 0.640 12 3 "[ * 1 + .- 2]" 1
176 1 18 LEU MD1 1 54 GLU HG2 5.150 . 5.150 3.157 2.076 4.007 . 0 0 "[ . 1 . 2]" 1
177 1 18 LEU MD1 1 54 GLU HG3 4.630 . 4.630 2.222 1.983 3.223 . 0 0 "[ . 1 . 2]" 1
178 1 18 LEU MD2 1 19 TYR H 4.420 . 4.420 2.585 2.389 2.710 . 0 0 "[ . 1 . 2]" 1
179 1 18 LEU MD2 1 19 TYR H 4.150 . 4.150 3.424 3.302 3.556 . 0 0 "[ . 1 . 2]" 1
180 1 18 LEU MD2 1 54 GLU HG2 4.710 . 4.710 3.118 2.573 4.427 . 0 0 "[ . 1 . 2]" 1
181 1 18 LEU MD2 1 54 GLU HG3 3.730 . 3.730 2.378 1.930 4.023 0.293 13 0 "[ . 1 . 2]" 1
182 1 19 TYR H 1 19 TYR QB . . 3.660 2.184 2.101 2.243 . 0 0 "[ . 1 . 2]" 1
183 1 19 TYR H 1 19 TYR QD 3.580 . 3.580 2.589 2.489 2.771 . 0 0 "[ . 1 . 2]" 1
184 1 19 TYR H 1 20 ALA H 3.580 . 3.580 2.674 2.578 2.747 . 0 0 "[ . 1 . 2]" 1
185 1 19 TYR H 1 20 ALA MB 5.340 . 5.340 4.339 4.213 4.430 . 0 0 "[ . 1 . 2]" 1
186 1 19 TYR H 1 21 GLU H 5.010 . 5.010 4.237 4.003 4.375 . 0 0 "[ . 1 . 2]" 1
187 1 19 TYR H 1 28 VAL QG 4.410 . 4.410 3.507 3.366 3.657 . 0 0 "[ . 1 . 2]" 1
188 1 19 TYR H 1 28 VAL QG 4.760 . 4.760 2.596 2.394 2.723 . 0 0 "[ . 1 . 2]" 1
189 1 19 TYR HA 1 19 TYR QD 3.380 . 3.380 2.765 2.616 2.927 . 0 0 "[ . 1 . 2]" 1
190 1 19 TYR HA 1 19 TYR QD 3.660 . 3.660 2.617 2.519 2.750 . 0 0 "[ . 1 . 2]" 1
191 1 19 TYR HA 1 22 ILE H 4.340 . 4.340 3.690 3.553 3.910 . 0 0 "[ . 1 . 2]" 1
192 1 19 TYR HA 1 23 LEU QD 3.790 . 3.790 2.427 2.292 2.630 . 0 0 "[ . 1 . 2]" 1
193 1 19 TYR HA 1 28 VAL QG 4.790 . 4.790 4.022 3.913 4.150 . 0 0 "[ . 1 . 2]" 1
194 1 19 TYR HA 1 34 PHE QE 4.430 . 4.430 3.160 2.860 3.530 . 0 0 "[ . 1 . 2]" 1
195 1 19 TYR HA 1 47 LEU QD 3.330 . 3.330 2.634 1.978 3.061 . 0 0 "[ . 1 . 2]" 1
196 1 19 TYR QB 1 20 ALA H 3.690 . 3.690 2.528 2.387 2.613 . 0 0 "[ . 1 . 2]" 1
197 1 19 TYR QB 1 23 LEU QD 4.680 . 4.680 2.206 2.056 2.428 . 0 0 "[ . 1 . 2]" 1
198 1 19 TYR QB 1 28 VAL QG . . 3.760 1.895 1.846 1.955 . 0 0 "[ . 1 . 2]" 1
199 1 19 TYR QB 1 37 LEU QD 4.950 . 4.950 3.379 2.784 4.099 . 0 0 "[ . 1 . 2]" 1
200 1 19 TYR QD 1 23 LEU QD 3.640 . 3.640 2.630 2.405 2.904 . 0 0 "[ . 1 . 2]" 1
201 1 19 TYR QD 1 23 LEU QD 4.350 . 4.350 2.577 2.377 2.834 . 0 0 "[ . 1 . 2]" 1
202 1 19 TYR QD 1 28 VAL QG . . 3.530 2.546 2.361 2.725 . 0 0 "[ . 1 . 2]" 1
203 1 19 TYR QD 1 34 PHE QD 4.210 . 4.210 3.132 2.786 3.344 . 0 0 "[ . 1 . 2]" 1
204 1 19 TYR QD 1 37 LEU MD2 4.020 . 4.020 2.737 2.112 3.175 . 0 0 "[ . 1 . 2]" 1
205 1 19 TYR QD 1 47 LEU QD 4.040 . 4.040 2.366 2.175 2.493 . 0 0 "[ . 1 . 2]" 1
206 1 19 TYR QE 1 23 LEU QD 4.370 . 4.370 3.546 3.335 3.763 . 0 0 "[ . 1 . 2]" 1
207 1 19 TYR QE 1 28 VAL QG 4.670 . 4.670 3.954 3.772 4.135 . 0 0 "[ . 1 . 2]" 1
208 1 19 TYR QE 1 28 VAL QG 4.870 . 4.870 3.715 3.549 3.831 . 0 0 "[ . 1 . 2]" 1
209 1 19 TYR QE 1 33 ALA HA 4.200 . 4.200 3.891 3.550 4.268 0.068 6 0 "[ . 1 . 2]" 1
210 1 19 TYR QE 1 34 PHE H 3.930 . 3.930 2.754 2.467 2.946 . 0 0 "[ . 1 . 2]" 1
211 1 19 TYR QE 1 34 PHE HA 3.700 . 3.700 2.976 2.702 3.285 . 0 0 "[ . 1 . 2]" 1
212 1 19 TYR QE 1 34 PHE HB2 4.000 . 4.000 2.468 2.267 2.664 . 0 0 "[ . 1 . 2]" 1
213 1 19 TYR QE 1 34 PHE HB3 4.510 . 4.510 4.018 3.870 4.234 . 0 0 "[ . 1 . 2]" 1
214 1 19 TYR QE 1 34 PHE QD 3.900 . 3.900 3.150 2.956 3.368 . 0 0 "[ . 1 . 2]" 1
215 1 19 TYR QE 1 37 LEU QD 4.740 . 4.740 3.792 3.163 4.390 . 0 0 "[ . 1 . 2]" 1
216 1 19 TYR QE 1 47 LEU QD 3.790 . 3.790 2.267 2.106 2.702 . 0 0 "[ . 1 . 2]" 1
217 1 19 TYR QE 1 69 THR HA 4.200 . 4.200 2.948 2.645 3.238 . 0 0 "[ . 1 . 2]" 1
218 1 19 TYR QE 1 73 VAL QG 4.260 . 4.260 3.164 2.933 3.602 . 0 0 "[ . 1 . 2]" 1
219 1 20 ALA H 1 20 ALA MB 3.010 . 3.010 2.211 2.116 2.264 . 0 0 "[ . 1 . 2]" 1
220 1 20 ALA H 1 20 ALA MB 2.950 . 2.950 1.989 1.956 2.011 . 0 0 "[ . 1 . 2]" 1
221 1 20 ALA H 1 20 ALA MB 3.030 . 3.030 1.990 1.923 2.147 . 0 0 "[ . 1 . 2]" 1
222 1 20 ALA H 1 21 GLU H 3.460 . 3.460 2.804 2.710 2.879 . 0 0 "[ . 1 . 2]" 1
223 1 20 ALA H 1 23 LEU QD 4.410 . 4.410 3.771 3.596 3.913 . 0 0 "[ . 1 . 2]" 1
224 1 20 ALA H 1 28 VAL HB 4.440 . 4.440 4.270 3.648 4.460 0.020 10 0 "[ . 1 . 2]" 1
225 1 20 ALA H 1 28 VAL QG . . 3.600 2.314 2.243 2.475 . 0 0 "[ . 1 . 2]" 1
226 1 20 ALA H 1 28 VAL QG 4.030 . 4.030 2.281 2.213 2.432 . 0 0 "[ . 1 . 2]" 1
227 1 20 ALA HA 1 25 VAL H 3.040 . 3.040 2.542 2.441 2.636 . 0 0 "[ . 1 . 2]" 1
228 1 20 ALA HA 1 25 VAL MG1 4.650 . 4.650 3.641 3.551 3.735 . 0 0 "[ . 1 . 2]" 1
229 1 20 ALA HA 1 25 VAL H 4.790 . 4.790 2.906 2.700 3.138 . 0 0 "[ . 1 . 2]" 1
230 1 20 ALA HA 1 25 VAL MG2 3.470 . 3.470 2.222 2.055 2.374 . 0 0 "[ . 1 . 2]" 1
231 1 20 ALA HA 1 28 VAL QG . . 3.830 2.826 2.540 3.282 . 0 0 "[ . 1 . 2]" 1
232 1 20 ALA MB 1 21 GLU H 3.330 . 3.330 2.545 2.362 2.743 . 0 0 "[ . 1 . 2]" 1
233 1 20 ALA MB 1 21 GLU HA 4.610 . 4.610 3.787 3.630 3.848 . 0 0 "[ . 1 . 2]" 1
234 1 20 ALA MB 1 22 ILE H 4.910 . 4.910 4.484 4.403 4.644 . 0 0 "[ . 1 . 2]" 1
235 1 20 ALA MB 1 24 GLY H 4.700 . 4.700 4.510 4.302 4.650 . 0 0 "[ . 1 . 2]" 1
236 1 20 ALA MB 1 25 VAL H 3.980 . 3.980 3.741 3.542 3.972 . 0 0 "[ . 1 . 2]" 1
237 1 20 ALA MB 1 25 VAL MG1 4.760 . 4.760 4.295 4.135 4.403 . 0 0 "[ . 1 . 2]" 1
238 1 20 ALA MB 1 27 ARG H 4.480 . 4.480 3.304 2.355 3.977 . 0 0 "[ . 1 . 2]" 1
239 1 20 ALA MB 1 27 ARG HA 3.690 . 3.690 2.889 2.316 3.438 . 0 0 "[ . 1 . 2]" 1
240 1 20 ALA MB 1 28 VAL H 4.240 . 4.240 3.538 2.089 4.148 . 0 0 "[ . 1 . 2]" 1
241 1 20 ALA MB 1 28 VAL QG 4.220 . 4.220 2.044 1.978 2.265 . 0 0 "[ . 1 . 2]" 1
242 1 21 GLU H 1 21 GLU QB . . 2.970 2.377 2.239 2.560 . 0 0 "[ . 1 . 2]" 1
243 1 21 GLU H 1 21 GLU HG2 3.840 . 3.840 2.683 2.081 3.597 . 0 0 "[ . 1 . 2]" 1
244 1 21 GLU H 1 21 GLU HG3 3.960 . 3.960 3.244 2.241 3.721 . 0 0 "[ . 1 . 2]" 1
245 1 21 GLU H 1 22 ILE H 3.620 . 3.620 2.634 2.475 2.773 . 0 0 "[ . 1 . 2]" 1
246 1 21 GLU H 1 22 ILE HB 4.920 . 4.920 4.720 4.448 4.960 0.040 10 0 "[ . 1 . 2]" 1
247 1 21 GLU H 1 22 ILE QG 4.850 . 4.850 4.135 3.939 4.467 . 0 0 "[ . 1 . 2]" 1
248 1 21 GLU H 1 23 LEU H 5.060 . 5.060 4.201 4.004 4.339 . 0 0 "[ . 1 . 2]" 1
249 1 21 GLU H 1 24 GLY H 5.500 . 5.500 4.720 4.531 4.844 . 0 0 "[ . 1 . 2]" 1
250 1 21 GLU H 1 25 VAL MG2 5.410 . 5.410 5.178 4.987 5.333 . 0 0 "[ . 1 . 2]" 1
251 1 21 GLU H 1 28 VAL QG 4.550 . 4.550 4.496 4.446 4.630 0.080 18 0 "[ . 1 . 2]" 1
252 1 21 GLU HA 1 21 GLU HG2 3.790 . 3.790 2.924 2.417 3.902 0.112 16 0 "[ . 1 . 2]" 1
253 1 21 GLU HA 1 21 GLU HG3 4.230 . 4.230 3.594 3.008 3.841 . 0 0 "[ . 1 . 2]" 1
254 1 21 GLU HA 1 21 GLU HG3 3.890 . 3.890 3.243 2.893 3.367 . 0 0 "[ . 1 . 2]" 1
255 1 21 GLU QB 1 22 ILE H 3.480 . 3.480 2.754 2.336 3.638 0.158 18 0 "[ . 1 . 2]" 1
256 1 21 GLU HG2 1 22 ILE H 4.640 . 4.640 4.364 2.788 5.052 0.412 19 0 "[ . 1 . 2]" 1
257 1 21 GLU HG3 1 22 ILE H 4.850 . 4.850 3.968 2.805 4.460 . 0 0 "[ . 1 . 2]" 1
258 1 22 ILE H 1 22 ILE HB 3.260 . 3.260 2.315 2.173 2.429 . 0 0 "[ . 1 . 2]" 1
259 1 22 ILE H 1 22 ILE MD 3.750 . 3.750 3.614 3.487 3.781 0.031 20 0 "[ . 1 . 2]" 1
260 1 22 ILE H 1 22 ILE QG 3.600 . 3.600 2.356 2.180 2.551 . 0 0 "[ . 1 . 2]" 1
261 1 22 ILE H 1 22 ILE MG 4.050 . 4.050 3.746 3.685 3.781 . 0 0 "[ . 1 . 2]" 1
262 1 22 ILE H 1 23 LEU H 3.830 . 3.830 2.394 2.293 2.519 . 0 0 "[ . 1 . 2]" 1
263 1 22 ILE H 1 23 LEU HG 4.630 . 4.630 4.297 4.054 4.530 . 0 0 "[ . 1 . 2]" 1
264 1 22 ILE H 1 24 GLY H 4.740 . 4.740 3.761 3.601 3.909 . 0 0 "[ . 1 . 2]" 1
265 1 22 ILE HA 1 22 ILE MD 3.270 . 3.270 2.020 1.912 2.118 . 0 0 "[ . 1 . 2]" 1
266 1 22 ILE HA 1 22 ILE MG 3.560 . 3.560 2.434 2.364 2.529 . 0 0 "[ . 1 . 2]" 1
267 1 22 ILE HB 1 23 LEU H 3.930 . 3.930 2.683 2.509 2.834 . 0 0 "[ . 1 . 2]" 1
268 1 22 ILE HB 1 23 LEU QD 4.540 . 4.540 3.232 2.331 3.774 . 0 0 "[ . 1 . 2]" 1
269 1 22 ILE HB 1 43 LEU QD 5.090 . 5.090 4.227 3.906 4.525 . 0 0 "[ . 1 . 2]" 1
270 1 22 ILE MD 1 22 ILE MG 3.800 . 3.800 2.103 2.024 2.186 . 0 0 "[ . 1 . 2]" 1
271 1 22 ILE MD 1 22 ILE MG 3.500 . 3.500 2.067 1.994 2.129 . 0 0 "[ . 1 . 2]" 1
272 1 22 ILE MD 1 23 LEU H 4.650 . 4.650 4.743 4.599 4.842 0.192 20 0 "[ . 1 . 2]" 1
273 1 22 ILE MD 1 43 LEU QD 3.830 . 3.830 3.863 3.602 4.159 0.329 19 0 "[ . 1 . 2]" 1
274 1 22 ILE MD 1 46 ARG H 5.150 . 5.150 4.514 4.148 4.833 . 0 0 "[ . 1 . 2]" 1
275 1 22 ILE MD 1 47 LEU H 3.970 . 3.970 3.321 2.807 3.703 . 0 0 "[ . 1 . 2]" 1
276 1 22 ILE MD 1 47 LEU H 4.650 . 4.650 3.094 2.726 3.327 . 0 0 "[ . 1 . 2]" 1
277 1 22 ILE MD 1 50 ARG H 4.530 . 4.530 3.880 3.624 4.103 . 0 0 "[ . 1 . 2]" 1
278 1 22 ILE MD 1 50 ARG HD3 5.320 . 5.320 3.340 2.012 4.905 . 0 0 "[ . 1 . 2]" 1
279 1 22 ILE MG 1 23 LEU H 4.330 . 4.330 3.413 3.333 3.505 . 0 0 "[ . 1 . 2]" 1
280 1 22 ILE MG 1 23 LEU H 3.790 . 3.790 3.181 3.126 3.231 . 0 0 "[ . 1 . 2]" 1
281 1 22 ILE MG 1 23 LEU QD 4.020 . 4.020 3.163 2.858 3.484 . 0 0 "[ . 1 . 2]" 1
282 1 22 ILE MG 1 46 ARG H 4.780 . 4.780 3.256 3.178 3.345 . 0 0 "[ . 1 . 2]" 1
283 1 22 ILE MG 1 34 PHE QE 3.810 . 3.810 2.940 2.501 3.618 . 0 0 "[ . 1 . 2]" 1
284 1 22 ILE MG 1 34 PHE HZ 4.150 . 4.150 2.635 2.197 3.359 . 0 0 "[ . 1 . 2]" 1
285 1 22 ILE MG 1 43 LEU QD . . 3.500 2.188 1.906 2.456 . 0 0 "[ . 1 . 2]" 1
286 1 22 ILE MG 1 47 LEU H 4.020 . 4.020 3.193 2.677 3.692 . 0 0 "[ . 1 . 2]" 1
287 1 22 ILE MG 1 47 LEU H 3.620 . 3.620 2.614 2.342 2.887 . 0 0 "[ . 1 . 2]" 1
288 1 23 LEU H 1 23 LEU HB2 3.700 . 3.700 2.414 2.354 2.497 . 0 0 "[ . 1 . 2]" 1
289 1 23 LEU H 1 23 LEU HB3 3.650 . 3.650 3.613 3.570 3.653 0.003 20 0 "[ . 1 . 2]" 1
290 1 23 LEU H 1 23 LEU QD 3.850 . 3.850 3.138 3.082 3.211 . 0 0 "[ . 1 . 2]" 1
291 1 23 LEU H 1 23 LEU QD 4.190 . 4.190 3.046 2.995 3.114 . 0 0 "[ . 1 . 2]" 1
292 1 23 LEU H 1 23 LEU HG 3.540 . 3.540 2.534 2.375 2.666 . 0 0 "[ . 1 . 2]" 1
293 1 23 LEU H 1 24 GLY H 3.400 . 3.400 2.407 2.268 2.521 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU H 1 24 GLY H 3.840 . 3.840 2.251 2.169 2.341 . 0 0 "[ . 1 . 2]" 1
295 1 23 LEU H 1 25 VAL H 4.580 . 4.580 4.049 3.872 4.234 . 0 0 "[ . 1 . 2]" 1
296 1 23 LEU HA 1 23 LEU QD 3.370 . 3.370 2.252 2.163 2.348 . 0 0 "[ . 1 . 2]" 1
297 1 23 LEU HA 1 23 LEU HG 4.110 . 4.110 2.866 2.745 2.966 . 0 0 "[ . 1 . 2]" 1
298 1 23 LEU HA 1 25 VAL H 5.250 . 5.250 4.841 4.570 4.972 . 0 0 "[ . 1 . 2]" 1
299 1 23 LEU HA 1 43 LEU QD 3.780 . 3.780 2.021 1.931 2.200 . 0 0 "[ . 1 . 2]" 1
300 1 23 LEU HB2 1 24 GLY H 4.330 . 4.330 3.055 2.922 3.188 . 0 0 "[ . 1 . 2]" 1
301 1 23 LEU HB3 1 24 GLY H 4.190 . 4.190 3.967 3.855 4.082 . 0 0 "[ . 1 . 2]" 1
302 1 23 LEU HB3 1 25 VAL H 4.430 . 4.430 3.871 3.470 4.198 . 0 0 "[ . 1 . 2]" 1
303 1 23 LEU HB3 1 25 VAL MG1 3.480 . 3.480 2.411 2.225 2.771 . 0 0 "[ . 1 . 2]" 1
304 1 23 LEU QD 1 34 PHE QD . . 3.850 2.323 2.167 2.550 . 0 0 "[ . 1 . 2]" 1
305 1 23 LEU QD 1 34 PHE QE 3.870 . 3.870 2.689 2.453 2.833 . 0 0 "[ . 1 . 2]" 1
306 1 23 LEU QD 1 34 PHE HZ 4.400 . 4.400 3.242 3.050 3.412 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU QD 1 37 LEU QD 4.020 . 4.020 1.885 1.757 2.012 . 0 0 "[ . 1 . 2]" 1
308 1 23 LEU QD 1 39 GLY H 4.420 . 4.420 2.760 2.554 3.179 . 0 0 "[ . 1 . 2]" 1
309 1 23 LEU QD 1 39 GLY HA2 4.200 . 4.200 2.482 2.195 2.689 . 0 0 "[ . 1 . 2]" 1
310 1 23 LEU QD 1 43 LEU QD 3.250 . 3.250 2.226 2.005 2.615 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU HG 1 24 GLY H 4.670 . 4.670 4.567 4.464 4.636 . 0 0 "[ . 1 . 2]" 1
312 1 23 LEU HG 1 24 GLY H 4.810 . 4.810 4.092 4.029 4.141 . 0 0 "[ . 1 . 2]" 1
313 1 23 LEU HG 1 34 PHE QE 4.370 . 4.370 2.819 2.384 3.064 . 0 0 "[ . 1 . 2]" 1
314 1 24 GLY H 1 24 GLY QA 2.780 . 2.780 2.220 2.190 2.238 . 0 0 "[ . 1 . 2]" 1
315 1 24 GLY H 1 25 VAL H 3.230 . 3.230 2.520 2.428 2.639 . 0 0 "[ . 1 . 2]" 1
316 1 24 GLY H 1 25 VAL MG1 4.420 . 4.420 4.122 3.999 4.194 . 0 0 "[ . 1 . 2]" 1
317 1 24 GLY H 1 25 VAL MG2 4.030 . 4.030 3.669 3.559 3.748 . 0 0 "[ . 1 . 2]" 1
318 1 25 VAL H 1 25 VAL HB 4.070 . 4.070 3.746 3.687 3.810 . 0 0 "[ . 1 . 2]" 1
319 1 25 VAL H 1 25 VAL MG1 3.510 . 3.510 2.739 2.539 2.860 . 0 0 "[ . 1 . 2]" 1
320 1 25 VAL H 1 25 VAL MG2 3.240 . 3.240 2.046 1.903 2.137 . 0 0 "[ . 1 . 2]" 1
321 1 25 VAL H 1 26 GLU H 4.700 . 4.700 4.569 4.533 4.613 . 0 0 "[ . 1 . 2]" 1
322 1 25 VAL HA 1 25 VAL MG1 3.240 . 3.240 2.339 2.281 2.468 . 0 0 "[ . 1 . 2]" 1
323 1 25 VAL HA 1 26 GLU H 3.420 . 3.420 2.301 2.233 2.398 . 0 0 "[ . 1 . 2]" 1
324 1 25 VAL HA 1 27 ARG H 5.110 . 5.110 4.331 4.124 4.481 . 0 0 "[ . 1 . 2]" 1
325 1 25 VAL HB 1 26 GLU H 3.570 . 3.570 2.629 2.425 2.802 . 0 0 "[ . 1 . 2]" 1
326 1 25 VAL HB 1 26 GLU H 3.870 . 3.870 2.525 2.339 2.701 . 0 0 "[ . 1 . 2]" 1
327 1 25 VAL HB 1 27 ARG H 3.460 . 3.460 2.963 2.725 3.170 . 0 0 "[ . 1 . 2]" 1
328 1 25 VAL MG1 1 26 GLU H 4.110 . 4.110 3.709 3.601 3.808 . 0 0 "[ . 1 . 2]" 1
329 1 25 VAL MG1 1 27 ARG H 5.160 . 5.160 4.560 4.384 4.738 . 0 0 "[ . 1 . 2]" 1
330 1 25 VAL MG1 1 37 LEU HA 3.740 . 3.740 3.466 3.176 3.782 0.042 12 0 "[ . 1 . 2]" 1
331 1 25 VAL MG1 1 37 LEU HB2 3.800 . 3.800 3.837 3.583 4.077 0.277 19 0 "[ . 1 . 2]" 1
332 1 25 VAL MG1 1 37 LEU HB3 4.130 . 4.130 2.368 2.141 2.661 . 0 0 "[ . 1 . 2]" 1
333 1 25 VAL MG2 1 26 GLU H 4.600 . 4.600 3.682 3.522 3.800 . 0 0 "[ . 1 . 2]" 1
334 1 25 VAL MG2 1 26 GLU H 4.210 . 4.210 3.475 3.352 3.553 . 0 0 "[ . 1 . 2]" 1
335 1 25 VAL MG2 1 27 ARG H 3.930 . 3.930 3.064 2.894 3.273 . 0 0 "[ . 1 . 2]" 1
336 1 25 VAL MG2 1 28 VAL QG 4.040 . 4.040 2.377 2.112 3.196 . 0 0 "[ . 1 . 2]" 1
337 1 26 GLU H 1 26 GLU QB 3.380 . 3.380 2.415 2.157 2.988 . 0 0 "[ . 1 . 2]" 1
338 1 26 GLU H 1 26 GLU HG2 4.450 . 4.450 3.367 1.926 4.480 0.030 1 0 "[ . 1 . 2]" 1
339 1 26 GLU H 1 27 ARG H 3.830 . 3.830 2.693 2.370 2.873 . 0 0 "[ . 1 . 2]" 1
340 1 26 GLU HA 1 26 GLU HG2 3.900 . 3.900 3.033 2.482 4.129 0.229 16 0 "[ . 1 . 2]" 1
341 1 26 GLU QB 1 27 ARG H 3.260 . 3.260 2.768 2.352 3.529 0.269 14 0 "[ . 1 . 2]" 1
342 1 26 GLU QB 1 27 ARG H 3.500 . 3.500 2.549 2.259 3.086 . 0 0 "[ . 1 . 2]" 1
343 1 26 GLU HG2 1 27 ARG H 4.530 . 4.530 4.285 2.786 5.142 0.612 4 2 "[ +. 1 . - 2]" 1
344 1 27 ARG H 1 27 ARG QB 3.780 . 3.780 2.829 2.612 3.274 . 0 0 "[ . 1 . 2]" 1
345 1 27 ARG HA 1 27 ARG QD 4.370 . 4.370 3.807 2.002 4.489 0.119 10 0 "[ . 1 . 2]" 1
346 1 27 ARG HA 1 27 ARG HG3 4.150 . 4.150 3.014 1.980 4.261 0.111 2 0 "[ . 1 . 2]" 1
347 1 27 ARG HA 1 28 VAL H 2.960 . 2.960 2.337 2.227 2.587 . 0 0 "[ . 1 . 2]" 1
348 1 27 ARG HA 1 28 VAL QG 3.810 . 3.810 3.357 3.106 3.620 . 0 0 "[ . 1 . 2]" 1
349 1 27 ARG QB 1 28 VAL H 4.010 . 4.010 2.628 2.176 3.488 . 0 0 "[ . 1 . 2]" 1
350 1 27 ARG QB 1 28 VAL H 4.340 . 4.340 2.445 2.101 3.284 . 0 0 "[ . 1 . 2]" 1
351 1 27 ARG QB 1 28 VAL HA 4.500 . 4.500 4.028 3.757 4.372 . 0 0 "[ . 1 . 2]" 1
352 1 27 ARG HG3 1 28 VAL H 4.280 . 4.280 4.006 2.092 5.068 0.788 18 3 "[ . 1 . -+*2]" 1
353 1 28 VAL H 1 28 VAL HB 3.570 . 3.570 2.979 2.698 3.479 . 0 0 "[ . 1 . 2]" 1
354 1 28 VAL H 1 28 VAL QG . . 3.730 2.686 2.272 2.860 . 0 0 "[ . 1 . 2]" 1
355 1 28 VAL H 1 29 GLY H 4.610 . 4.610 4.240 4.127 4.334 . 0 0 "[ . 1 . 2]" 1
356 1 28 VAL HA 1 29 GLY H 3.170 . 3.170 2.253 2.142 2.380 . 0 0 "[ . 1 . 2]" 1
357 1 28 VAL HB 1 29 GLY H 4.630 . 4.630 4.187 4.011 4.385 . 0 0 "[ . 1 . 2]" 1
358 1 28 VAL QG 1 29 GLY H . . 3.800 2.679 2.435 2.830 . 0 0 "[ . 1 . 2]" 1
359 1 28 VAL QG 1 32 ASP HB3 4.240 . 4.240 2.568 2.211 3.046 . 0 0 "[ . 1 . 2]" 1
360 1 28 VAL QG 1 32 ASP H 4.280 . 4.280 3.736 3.482 3.910 . 0 0 "[ . 1 . 2]" 1
361 1 28 VAL QG 1 32 ASP H 3.940 . 3.940 3.384 3.285 3.480 . 0 0 "[ . 1 . 2]" 1
362 1 28 VAL QG 1 32 ASP HA 4.740 . 4.740 3.678 3.522 3.792 . 0 0 "[ . 1 . 2]" 1
363 1 28 VAL QG 1 32 ASP HB2 . . 4.360 2.575 2.274 3.108 . 0 0 "[ . 1 . 2]" 1
364 1 28 VAL QG 1 32 ASP HB3 4.520 . 4.520 2.619 2.220 3.059 . 0 0 "[ . 1 . 2]" 1
365 1 28 VAL QG 1 37 LEU QD 4.090 . 4.090 2.393 2.102 2.949 . 0 0 "[ . 1 . 2]" 1
366 1 28 VAL QG 1 70 PRO HB3 4.370 . 4.370 3.601 3.352 4.108 . 0 0 "[ . 1 . 2]" 1
367 1 29 GLY H 1 30 VAL H 4.640 . 4.640 4.612 4.534 4.668 0.028 10 0 "[ . 1 . 2]" 1
368 1 29 GLY H 1 31 ASP H 5.130 . 5.130 4.711 4.467 4.963 . 0 0 "[ . 1 . 2]" 1
369 1 29 GLY H 1 32 ASP H 4.910 . 4.910 3.826 3.454 3.959 . 0 0 "[ . 1 . 2]" 1
370 1 29 GLY H 1 32 ASP HB2 4.660 . 4.660 2.195 1.621 3.098 . 0 0 "[ . 1 . 2]" 1
371 1 29 GLY H 1 32 ASP HB3 4.200 . 4.200 3.374 2.558 3.855 . 0 0 "[ . 1 . 2]" 1
372 1 29 GLY HA2 1 30 VAL H 3.220 . 3.220 2.472 2.386 2.590 . 0 0 "[ . 1 . 2]" 1
373 1 29 GLY HA2 1 31 ASP H 4.630 . 4.630 4.067 3.858 4.243 . 0 0 "[ . 1 . 2]" 1
374 1 29 GLY HA2 1 32 ASP H 5.050 . 5.050 4.744 4.593 4.885 . 0 0 "[ . 1 . 2]" 1
375 1 29 GLY HA3 1 30 VAL H 3.330 . 3.330 2.774 2.624 2.898 . 0 0 "[ . 1 . 2]" 1
376 1 29 GLY HA3 1 31 ASP H 4.240 . 4.240 3.142 2.902 3.331 . 0 0 "[ . 1 . 2]" 1
377 1 29 GLY HA3 1 32 ASP H 4.350 . 4.350 3.707 3.436 3.892 . 0 0 "[ . 1 . 2]" 1
378 1 30 VAL H 1 30 VAL HB 3.780 . 3.780 3.516 2.294 3.661 . 0 0 "[ . 1 . 2]" 1
379 1 30 VAL H 1 30 VAL HB 3.910 . 3.910 3.224 2.276 3.414 . 0 0 "[ . 1 . 2]" 1
380 1 30 VAL H 1 30 VAL QG 2.940 . 2.940 1.864 1.698 2.829 . 0 0 "[ . 1 . 2]" 1
381 1 30 VAL H 1 30 VAL QG 2.930 . 2.930 1.810 1.667 2.518 . 0 0 "[ . 1 . 2]" 1
382 1 30 VAL H 1 30 VAL MG1 3.840 . 3.840 2.713 2.153 3.163 . 0 0 "[ . 1 . 2]" 1
383 1 30 VAL H 1 71 ALA MB 4.920 . 4.920 4.246 4.094 4.366 . 0 0 "[ . 1 . 2]" 1
384 1 30 VAL H 1 31 ASP HB2 5.500 . 5.500 4.832 4.241 6.163 0.663 19 1 "[ . 1 . +2]" 1
385 1 30 VAL H 1 71 ALA MB 5.440 . 5.440 5.014 4.849 5.213 . 0 0 "[ . 1 . 2]" 1
386 1 30 VAL HA 1 30 VAL MG1 3.500 . 3.500 2.277 2.174 3.119 . 0 0 "[ . 1 . 2]" 1
387 1 30 VAL HA 1 32 ASP H 3.770 . 3.770 3.288 3.228 3.432 . 0 0 "[ . 1 . 2]" 1
388 1 30 VAL HA 1 71 ALA MB 4.030 . 4.030 2.523 2.481 2.571 . 0 0 "[ . 1 . 2]" 1
389 1 30 VAL HA 1 71 ALA H 3.850 . 3.850 2.740 2.687 2.871 . 0 0 "[ . 1 . 2]" 1
390 1 30 VAL HA 1 71 ALA H 3.910 . 3.910 3.298 3.121 3.480 . 0 0 "[ . 1 . 2]" 1
391 1 30 VAL HB 1 71 ALA H 4.020 . 4.020 2.319 2.174 2.501 . 0 0 "[ . 1 . 2]" 1
392 1 30 VAL HB 1 71 ALA MB 4.100 . 4.100 2.194 1.985 4.200 0.100 11 0 "[ . 1 . 2]" 1
393 1 30 VAL QG 1 31 ASP H 3.420 . 3.420 2.527 2.323 2.823 . 0 0 "[ . 1 . 2]" 1
394 1 30 VAL QG 1 32 ASP H 4.370 . 4.370 4.336 4.235 4.462 0.092 13 0 "[ . 1 . 2]" 1
395 1 30 VAL QG 1 71 ALA H 4.220 . 4.220 3.942 3.169 4.267 0.047 2 0 "[ . 1 . 2]" 1
396 1 30 VAL QG 1 71 ALA MB 3.370 . 3.370 2.632 1.857 2.940 . 0 0 "[ . 1 . 2]" 1
397 1 30 VAL MG1 1 71 ALA MB 4.290 . 4.290 2.775 2.005 3.271 . 0 0 "[ . 1 . 2]" 1
398 1 31 ASP H 1 31 ASP HB2 3.400 . 3.400 2.651 2.375 3.718 0.318 19 0 "[ . 1 . 2]" 1
399 1 31 ASP H 1 31 ASP HB3 3.890 . 3.890 3.398 2.840 3.707 . 0 0 "[ . 1 . 2]" 1
400 1 31 ASP H 1 32 ASP H 3.160 . 3.160 2.544 2.370 2.741 . 0 0 "[ . 1 . 2]" 1
401 1 31 ASP H 1 69 THR MG 5.280 . 5.280 5.012 4.861 5.171 . 0 0 "[ . 1 . 2]" 1
402 1 31 ASP HA 1 69 THR HA 5.500 . 5.500 4.672 4.394 5.105 . 0 0 "[ . 1 . 2]" 1
403 1 31 ASP HA 1 69 THR HB 3.920 . 3.920 2.373 2.056 2.899 . 0 0 "[ . 1 . 2]" 1
404 1 31 ASP HA 1 69 THR MG 3.740 . 3.740 2.854 2.573 3.131 . 0 0 "[ . 1 . 2]" 1
405 1 31 ASP HB2 1 32 ASP H 4.490 . 4.490 4.084 3.759 4.463 . 0 0 "[ . 1 . 2]" 1
406 1 31 ASP HB3 1 69 THR MG 4.430 . 4.430 3.776 3.364 4.540 0.110 12 0 "[ . 1 . 2]" 1
407 1 32 ASP H 1 32 ASP HB2 3.420 . 3.420 2.143 2.088 2.309 . 0 0 "[ . 1 . 2]" 1
408 1 32 ASP H 1 32 ASP HB3 3.240 . 3.240 3.203 2.905 3.457 0.217 19 0 "[ . 1 . 2]" 1
409 1 32 ASP H 1 33 ALA H 4.740 . 4.740 4.549 4.410 4.678 . 0 0 "[ . 1 . 2]" 1
410 1 32 ASP H 1 33 ALA HA 5.500 . 5.500 5.300 5.157 5.442 . 0 0 "[ . 1 . 2]" 1
411 1 32 ASP H 1 37 LEU QD 5.500 . 5.500 4.751 4.525 5.328 . 0 0 "[ . 1 . 2]" 1
412 1 32 ASP H 1 69 THR HA 5.350 . 5.350 4.411 4.167 4.702 . 0 0 "[ . 1 . 2]" 1
413 1 32 ASP H 1 69 THR HB 4.720 . 4.720 3.571 3.405 3.906 . 0 0 "[ . 1 . 2]" 1
414 1 32 ASP H 1 70 PRO HB3 5.500 . 5.500 5.631 5.549 5.881 0.381 10 0 "[ . 1 . 2]" 1
415 1 32 ASP H 1 71 ALA MB 5.160 . 5.160 5.189 5.024 5.365 0.205 19 0 "[ . 1 . 2]" 1
416 1 32 ASP HA 1 33 ALA H 3.450 . 3.450 2.184 2.138 2.273 . 0 0 "[ . 1 . 2]" 1
417 1 32 ASP HB2 1 37 LEU QD 4.250 . 4.250 3.380 3.113 3.961 . 0 0 "[ . 1 . 2]" 1
418 1 32 ASP HB3 1 37 LEU QD 4.770 . 4.770 2.237 1.958 2.889 . 0 0 "[ . 1 . 2]" 1
419 1 33 ALA HA 1 34 PHE H 3.540 . 3.540 2.125 2.075 2.196 . 0 0 "[ . 1 . 2]" 1
420 1 33 ALA HA 1 69 THR HB 5.240 . 5.240 3.793 3.642 4.030 . 0 0 "[ . 1 . 2]" 1
421 1 33 ALA HA 1 68 PRO HB2 4.910 . 4.910 3.568 2.943 4.069 . 0 0 "[ . 1 . 2]" 1
422 1 33 ALA HA 1 69 THR H 5.290 . 5.290 4.688 4.110 4.998 . 0 0 "[ . 1 . 2]" 1
423 1 33 ALA HA 1 69 THR HA 3.490 . 3.490 2.931 2.545 3.271 . 0 0 "[ . 1 . 2]" 1
424 1 33 ALA HA 1 69 THR MG 3.280 . 3.280 2.348 2.162 2.633 . 0 0 "[ . 1 . 2]" 1
425 1 33 ALA MB 1 34 PHE H 4.110 . 4.110 3.176 2.959 3.344 . 0 0 "[ . 1 . 2]" 1
426 1 33 ALA MB 1 35 HIS HD2 5.100 . 5.100 3.599 3.270 4.087 . 0 0 "[ . 1 . 2]" 1
427 1 33 ALA MB 1 35 HIS HE1 3.670 . 3.670 3.111 2.751 3.423 . 0 0 "[ . 1 . 2]" 1
428 1 33 ALA MB 1 68 PRO HB2 3.940 . 3.940 3.515 2.849 3.873 . 0 0 "[ . 1 . 2]" 1
429 1 33 ALA MB 1 68 PRO HB3 5.130 . 5.130 4.857 4.112 5.200 0.070 7 0 "[ . 1 . 2]" 1
430 1 33 ALA MB 1 69 THR HA 4.860 . 4.860 4.451 4.064 4.782 . 0 0 "[ . 1 . 2]" 1
431 1 33 ALA MB 1 69 THR MG 3.580 . 3.580 2.911 2.627 3.221 . 0 0 "[ . 1 . 2]" 1
432 1 34 PHE H 1 34 PHE HB2 3.810 . 3.810 2.347 2.260 2.440 . 0 0 "[ . 1 . 2]" 1
433 1 34 PHE H 1 34 PHE HB3 3.980 . 3.980 2.600 2.507 2.703 . 0 0 "[ . 1 . 2]" 1
434 1 34 PHE H 1 34 PHE QD 4.280 . 4.280 4.151 4.086 4.199 . 0 0 "[ . 1 . 2]" 1
435 1 34 PHE H 1 68 PRO HB2 4.060 . 4.060 2.773 2.364 3.085 . 0 0 "[ . 1 . 2]" 1
436 1 34 PHE H 1 68 PRO HB3 4.860 . 4.860 4.457 4.052 4.703 . 0 0 "[ . 1 . 2]" 1
437 1 34 PHE H 1 69 THR HA 4.770 . 4.770 3.299 3.135 3.410 . 0 0 "[ . 1 . 2]" 1
438 1 34 PHE H 1 69 THR MG 4.240 . 4.240 3.851 3.635 4.098 . 0 0 "[ . 1 . 2]" 1
439 1 34 PHE HA 1 34 PHE QD 3.870 . 3.870 2.771 2.466 2.964 . 0 0 "[ . 1 . 2]" 1
440 1 34 PHE HA 1 34 PHE QD 3.390 . 3.390 2.582 2.382 2.696 . 0 0 "[ . 1 . 2]" 1
441 1 34 PHE HB2 1 37 LEU QD 5.500 . 5.500 4.621 3.995 5.053 . 0 0 "[ . 1 . 2]" 1
442 1 34 PHE QD 1 35 HIS HA 4.540 . 4.540 3.529 3.135 3.743 . 0 0 "[ . 1 . 2]" 1
443 1 34 PHE QD 1 39 GLY HA2 4.670 . 4.670 4.225 3.873 4.518 . 0 0 "[ . 1 . 2]" 1
444 1 34 PHE QD 1 47 LEU QD 4.320 . 4.320 2.813 2.614 3.054 . 0 0 "[ . 1 . 2]" 1
445 1 34 PHE QE 1 39 GLY HA2 4.520 . 4.520 3.434 3.137 3.592 . 0 0 "[ . 1 . 2]" 1
446 1 34 PHE QE 1 43 LEU HB2 3.550 . 3.550 2.562 2.264 2.898 . 0 0 "[ . 1 . 2]" 1
447 1 34 PHE QE 1 43 LEU HB3 3.980 . 3.980 3.116 2.260 3.676 . 0 0 "[ . 1 . 2]" 1
448 1 34 PHE QE 1 43 LEU QD 4.460 . 4.460 3.437 2.924 3.840 . 0 0 "[ . 1 . 2]" 1
449 1 34 PHE QE 1 44 ALA MB 3.880 . 3.880 2.820 2.336 3.159 . 0 0 "[ . 1 . 2]" 1
450 1 34 PHE QE 1 47 LEU QD . . 3.620 2.344 2.117 2.497 . 0 0 "[ . 1 . 2]" 1
451 1 34 PHE QE 1 47 LEU QD 3.910 . 3.910 2.328 2.109 2.454 . 0 0 "[ . 1 . 2]" 1
452 1 34 PHE HZ 1 43 LEU HB2 4.300 . 4.300 3.161 2.583 3.859 . 0 0 "[ . 1 . 2]" 1
453 1 34 PHE HZ 1 43 LEU HB3 4.260 . 4.260 2.622 2.214 3.357 . 0 0 "[ . 1 . 2]" 1
454 1 34 PHE HZ 1 43 LEU QD 4.890 . 4.890 3.152 2.464 3.601 . 0 0 "[ . 1 . 2]" 1
455 1 34 PHE HZ 1 44 ALA H 4.440 . 4.440 3.791 3.502 4.148 . 0 0 "[ . 1 . 2]" 1
456 1 34 PHE HZ 1 44 ALA MB 4.540 . 4.540 3.932 3.610 4.291 . 0 0 "[ . 1 . 2]" 1
457 1 34 PHE HZ 1 47 LEU H 5.120 . 5.120 4.323 3.948 4.692 . 0 0 "[ . 1 . 2]" 1
458 1 34 PHE HZ 1 47 LEU QD 4.580 . 4.580 3.398 3.063 3.623 . 0 0 "[ . 1 . 2]" 1
459 1 35 HIS HA 1 35 HIS HD2 4.730 . 4.730 4.379 4.222 4.515 . 0 0 "[ . 1 . 2]" 1
460 1 35 HIS HB2 1 35 HIS HD2 3.400 . 3.400 2.974 2.879 3.093 . 0 0 "[ . 1 . 2]" 1
461 1 35 HIS HD2 1 36 ASP HA 4.370 . 4.370 3.013 2.670 3.315 . 0 0 "[ . 1 . 2]" 1
462 1 35 HIS HD2 1 36 ASP HB3 4.990 . 4.990 4.614 4.239 4.980 . 0 0 "[ . 1 . 2]" 1
463 1 35 HIS HE1 1 68 PRO HB2 4.620 . 4.620 3.889 3.254 4.593 . 0 0 "[ . 1 . 2]" 1
464 1 35 HIS HE1 1 68 PRO HB3 5.150 . 5.150 4.316 3.430 5.161 0.011 11 0 "[ . 1 . 2]" 1
465 1 36 ASP H 1 37 LEU H 4.860 . 4.860 2.269 2.146 2.432 . 0 0 "[ . 1 . 2]" 1
466 1 36 ASP QB 1 37 LEU H 4.570 . 4.570 2.670 2.494 3.000 . 0 0 "[ . 1 . 2]" 1
467 1 37 LEU H 1 37 LEU QD 4.690 . 4.690 2.790 2.136 3.197 . 0 0 "[ . 1 . 2]" 1
468 1 37 LEU H 1 37 LEU HG 4.160 . 4.160 3.097 2.242 4.221 0.061 20 0 "[ . 1 . 2]" 1
469 1 37 LEU HA 1 37 LEU HG 4.100 . 4.100 3.122 2.589 3.729 . 0 0 "[ . 1 . 2]" 1
470 1 37 LEU QD 1 38 GLY H 5.160 . 5.160 4.379 4.021 4.563 . 0 0 "[ . 1 . 2]" 1
471 1 38 GLY H 1 39 GLY H 4.830 . 4.830 2.547 2.314 2.733 . 0 0 "[ . 1 . 2]" 1
472 1 39 GLY HA2 1 43 LEU QD 4.150 . 4.150 2.121 2.000 2.540 . 0 0 "[ . 1 . 2]" 1
473 1 40 SER HB2 1 42 ALA MB 3.440 . 3.440 3.610 3.160 4.412 0.972 20 5 "[ -. * 1 * *. +]" 1
474 1 42 ALA HA 1 45 MET HG2 4.470 . 4.470 3.873 3.052 4.664 0.194 20 0 "[ . 1 . 2]" 1
475 1 42 ALA HA 1 45 MET HG3 4.610 . 4.610 3.455 2.722 4.606 . 0 0 "[ . 1 . 2]" 1
476 1 42 ALA MB 1 43 LEU H 3.280 . 3.280 2.210 2.147 2.295 . 0 0 "[ . 1 . 2]" 1
477 1 42 ALA MB 1 45 MET HB3 4.940 . 4.940 4.911 3.839 5.142 0.202 20 0 "[ . 1 . 2]" 1
478 1 43 LEU H 1 43 LEU HB3 3.910 . 3.910 3.133 2.520 3.645 . 0 0 "[ . 1 . 2]" 1
479 1 43 LEU H 1 43 LEU HB3 3.560 . 3.560 2.546 2.346 2.655 . 0 0 "[ . 1 . 2]" 1
480 1 43 LEU H 1 43 LEU QD . . 4.350 3.457 3.132 3.749 . 0 0 "[ . 1 . 2]" 1
481 1 43 LEU H 1 43 LEU HG 4.530 . 4.530 3.465 2.377 4.560 0.030 16 0 "[ . 1 . 2]" 1
482 1 43 LEU H 1 44 ALA H 3.640 . 3.640 2.499 2.281 2.608 . 0 0 "[ . 1 . 2]" 1
483 1 43 LEU HA 1 43 LEU QD 3.270 . 3.270 2.118 2.038 2.378 . 0 0 "[ . 1 . 2]" 1
484 1 43 LEU HB2 1 44 ALA H 3.390 . 3.390 2.185 2.129 2.228 . 0 0 "[ . 1 . 2]" 1
485 1 43 LEU HB3 1 44 ALA H 5.150 . 5.150 3.216 2.583 3.700 . 0 0 "[ . 1 . 2]" 1
486 1 43 LEU HB3 1 47 LEU H 5.450 . 5.450 4.243 3.629 4.905 . 0 0 "[ . 1 . 2]" 1
487 1 44 ALA H 1 45 MET H 3.720 . 3.720 2.764 2.637 2.885 . 0 0 "[ . 1 . 2]" 1
488 1 44 ALA HA 1 46 ARG H 4.780 . 4.780 4.087 3.873 4.375 . 0 0 "[ . 1 . 2]" 1
489 1 44 ALA HA 1 47 LEU H 4.010 . 4.010 3.210 3.052 3.397 . 0 0 "[ . 1 . 2]" 1
490 1 44 ALA MB 1 45 MET H 3.340 . 3.340 2.721 2.506 2.950 . 0 0 "[ . 1 . 2]" 1
491 1 44 ALA MB 1 45 MET HB2 5.500 . 5.500 4.871 4.582 5.234 . 0 0 "[ . 1 . 2]" 1
492 1 44 ALA MB 1 46 ARG H 4.720 . 4.720 4.492 4.396 4.605 . 0 0 "[ . 1 . 2]" 1
493 1 44 ALA MB 1 47 LEU H 4.760 . 4.760 4.449 4.326 4.624 . 0 0 "[ . 1 . 2]" 1
494 1 44 ALA MB 1 47 LEU QD 4.320 . 4.320 3.687 3.439 4.104 . 0 0 "[ . 1 . 2]" 1
495 1 44 ALA MB 1 47 LEU QD 3.860 . 3.860 2.108 1.981 2.385 . 0 0 "[ . 1 . 2]" 1
496 1 44 ALA MB 1 61 ILE MD 3.540 . 3.540 2.896 2.253 3.606 0.066 12 0 "[ . 1 . 2]" 1
497 1 44 ALA MB 1 64 LEU QD . . 3.340 2.122 1.991 2.432 . 0 0 "[ . 1 . 2]" 1
498 1 44 ALA MB 1 65 PHE QD 4.410 . 4.410 4.424 4.212 4.532 0.122 16 0 "[ . 1 . 2]" 1
499 1 44 ALA MB 1 65 PHE QE 3.840 . 3.840 3.054 2.732 3.319 . 0 0 "[ . 1 . 2]" 1
500 1 44 ALA MB 1 65 PHE HZ 4.690 . 4.690 3.977 3.620 4.329 . 0 0 "[ . 1 . 2]" 1
501 1 45 MET H 1 45 MET HB2 3.660 . 3.660 2.630 2.398 3.621 . 0 0 "[ . 1 . 2]" 1
502 1 45 MET H 1 45 MET HB3 3.330 . 3.330 3.495 2.434 3.668 0.338 14 0 "[ . 1 . 2]" 1
503 1 45 MET H 1 45 MET HG2 3.790 . 3.790 2.779 2.058 3.537 . 0 0 "[ . 1 . 2]" 1
504 1 45 MET H 1 45 MET HG3 3.830 . 3.830 2.997 2.129 3.756 . 0 0 "[ . 1 . 2]" 1
505 1 45 MET H 1 46 ARG H 3.560 . 3.560 2.640 2.474 2.730 . 0 0 "[ . 1 . 2]" 1
506 1 45 MET H 1 47 LEU H 5.220 . 5.220 4.084 3.926 4.230 . 0 0 "[ . 1 . 2]" 1
507 1 45 MET H 1 48 ILE MD 4.110 . 4.110 4.136 4.061 4.234 0.124 19 0 "[ . 1 . 2]" 1
508 1 45 MET H 1 61 ILE MD 4.920 . 4.920 4.398 3.549 5.014 0.094 12 0 "[ . 1 . 2]" 1
509 1 45 MET HA 1 45 MET HG2 4.040 . 4.040 2.884 2.427 3.813 . 0 0 "[ . 1 . 2]" 1
510 1 45 MET HA 1 45 MET HG3 4.110 . 4.110 3.460 2.957 3.814 . 0 0 "[ . 1 . 2]" 1
511 1 45 MET HA 1 48 ILE H 4.020 . 4.020 3.442 3.251 3.572 . 0 0 "[ . 1 . 2]" 1
512 1 45 MET HA 1 48 ILE HB 4.140 . 4.140 2.775 2.625 2.926 . 0 0 "[ . 1 . 2]" 1
513 1 45 MET HA 1 48 ILE MD 3.930 . 3.930 2.234 2.132 2.466 . 0 0 "[ . 1 . 2]" 1
514 1 45 MET HA 1 48 ILE MG 4.970 . 4.970 4.149 4.018 4.318 . 0 0 "[ . 1 . 2]" 1
515 1 45 MET HB3 1 46 ARG H 4.000 . 4.000 3.845 3.657 4.020 0.020 4 0 "[ . 1 . 2]" 1
516 1 45 MET HB3 1 47 LEU H 5.500 . 5.500 5.603 5.493 5.715 0.215 18 0 "[ . 1 . 2]" 1
517 1 46 ARG H 1 46 ARG QB . . 3.210 2.399 1.985 2.607 . 0 0 "[ . 1 . 2]" 1
518 1 46 ARG H 1 46 ARG HG2 4.290 . 4.290 3.132 2.118 4.277 . 0 0 "[ . 1 . 2]" 1
519 1 46 ARG H 1 46 ARG HG3 3.910 . 3.910 3.449 2.404 4.178 0.268 18 0 "[ . 1 . 2]" 1
520 1 46 ARG H 1 47 LEU H 3.520 . 3.520 2.448 2.295 2.625 . 0 0 "[ . 1 . 2]" 1
521 1 46 ARG H 1 49 ALA H 5.240 . 5.240 4.693 4.593 4.837 . 0 0 "[ . 1 . 2]" 1
522 1 46 ARG HA 1 46 ARG HD2 4.170 . 4.170 3.393 2.251 4.606 0.436 6 0 "[ . 1 . 2]" 1
523 1 46 ARG HA 1 46 ARG HG2 3.780 . 3.780 3.025 2.070 3.643 . 0 0 "[ . 1 . 2]" 1
524 1 46 ARG HA 1 46 ARG HG3 3.940 . 3.940 3.306 2.378 3.915 . 0 0 "[ . 1 . 2]" 1
525 1 46 ARG HA 1 49 ALA MB 4.440 . 4.440 2.602 2.443 2.813 . 0 0 "[ . 1 . 2]" 1
526 1 46 ARG QB 1 46 ARG HD3 3.900 . 3.900 2.777 2.065 3.566 . 0 0 "[ . 1 . 2]" 1
527 1 46 ARG QB 1 47 LEU H . . 3.430 2.648 2.432 2.769 . 0 0 "[ . 1 . 2]" 1
528 1 46 ARG QB 1 47 LEU HA 3.960 . 3.960 3.895 3.774 3.986 0.026 5 0 "[ . 1 . 2]" 1
529 1 46 ARG QB 1 47 LEU HA 4.570 . 4.570 3.337 2.858 3.702 . 0 0 "[ . 1 . 2]" 1
530 1 46 ARG HD2 1 47 LEU H 5.090 . 5.090 5.213 4.387 5.635 0.545 8 5 "[* - . + * . * 2]" 1
531 1 46 ARG HG2 1 47 LEU H 5.280 . 5.280 4.610 3.805 5.295 0.015 13 0 "[ . 1 . 2]" 1
532 1 47 LEU H 1 47 LEU HB2 3.410 . 3.410 2.490 2.147 2.595 . 0 0 "[ . 1 . 2]" 1
533 1 47 LEU H 1 47 LEU HB3 3.550 . 3.550 2.490 2.358 2.918 . 0 0 "[ . 1 . 2]" 1
534 1 47 LEU H 1 47 LEU QD 4.240 . 4.240 3.719 3.639 3.767 . 0 0 "[ . 1 . 2]" 1
535 1 47 LEU H 1 47 LEU HG 4.530 . 4.530 4.479 4.137 4.543 0.013 17 0 "[ . 1 . 2]" 1
536 1 47 LEU H 1 48 ILE H 3.770 . 3.770 2.670 2.553 2.864 . 0 0 "[ . 1 . 2]" 1
537 1 47 LEU H 1 48 ILE MD 4.950 . 4.950 4.920 4.741 5.103 0.153 18 0 "[ . 1 . 2]" 1
538 1 47 LEU H 1 49 ALA H 4.690 . 4.690 4.048 3.914 4.231 . 0 0 "[ . 1 . 2]" 1
539 1 47 LEU HA 1 47 LEU QD 3.510 . 3.510 2.208 2.111 2.802 . 0 0 "[ . 1 . 2]" 1
540 1 47 LEU HA 1 49 ALA H 5.120 . 5.120 4.380 4.260 4.503 . 0 0 "[ . 1 . 2]" 1
541 1 47 LEU HA 1 50 ARG H 4.220 . 4.220 3.389 3.178 3.497 . 0 0 "[ . 1 . 2]" 1
542 1 47 LEU HA 1 51 ILE H 4.770 . 4.770 4.197 3.986 4.399 . 0 0 "[ . 1 . 2]" 1
543 1 47 LEU HB2 1 48 ILE H 3.510 . 3.510 3.746 3.438 3.875 0.365 9 0 "[ . 1 . 2]" 1
544 1 47 LEU HB3 1 47 LEU QD 3.200 . 3.200 2.218 2.150 2.294 . 0 0 "[ . 1 . 2]" 1
545 1 47 LEU HB3 1 48 ILE H 3.880 . 3.880 2.421 2.327 2.569 . 0 0 "[ . 1 . 2]" 1
546 1 47 LEU QD 1 51 ILE MD 3.950 . 3.950 2.529 2.019 2.699 . 0 0 "[ . 1 . 2]" 1
547 1 47 LEU QD 1 48 ILE H 4.470 . 4.470 3.457 3.305 3.603 . 0 0 "[ . 1 . 2]" 1
548 1 47 LEU QD 1 48 ILE MD 4.010 . 4.010 2.326 2.014 2.875 . 0 0 "[ . 1 . 2]" 1
549 1 47 LEU QD 1 48 ILE HG13 5.060 . 5.060 2.641 2.310 3.046 . 0 0 "[ . 1 . 2]" 1
550 1 47 LEU QD 1 51 ILE MD 3.760 . 3.760 2.704 2.047 2.915 . 0 0 "[ . 1 . 2]" 1
551 1 47 LEU QD 1 64 LEU QD 3.880 . 3.880 2.090 1.878 2.780 . 0 0 "[ . 1 . 2]" 1
552 1 47 LEU QD 1 73 VAL QG 4.480 . 4.480 2.134 1.940 2.288 . 0 0 "[ . 1 . 2]" 1
553 1 47 LEU HG 1 51 ILE MD 4.120 . 4.120 2.367 2.067 3.490 . 0 0 "[ . 1 . 2]" 1
554 1 47 LEU HG 1 48 ILE H 3.880 . 3.880 3.301 3.251 3.535 . 0 0 "[ . 1 . 2]" 1
555 1 47 LEU HG 1 48 ILE HA 3.990 . 3.990 2.612 2.558 2.674 . 0 0 "[ . 1 . 2]" 1
556 1 47 LEU HG 1 49 ALA H 5.340 . 5.340 4.793 4.745 4.927 . 0 0 "[ . 1 . 2]" 1
557 1 47 LEU HG 1 51 ILE H 5.190 . 5.190 4.565 4.325 5.228 0.038 13 0 "[ . 1 . 2]" 1
558 1 48 ILE H 1 48 ILE HB 3.290 . 3.290 2.450 2.395 2.509 . 0 0 "[ . 1 . 2]" 1
559 1 48 ILE H 1 48 ILE HB 3.450 . 3.450 2.082 1.950 2.225 . 0 0 "[ . 1 . 2]" 1
560 1 48 ILE H 1 48 ILE MD 4.040 . 4.040 3.284 3.187 3.417 . 0 0 "[ . 1 . 2]" 1
561 1 48 ILE H 1 48 ILE MD 3.890 . 3.890 2.869 2.767 2.942 . 0 0 "[ . 1 . 2]" 1
562 1 48 ILE H 1 48 ILE HG12 4.510 . 4.510 3.661 3.593 3.745 . 0 0 "[ . 1 . 2]" 1
563 1 48 ILE H 1 48 ILE HG13 3.720 . 3.720 2.227 2.157 2.298 . 0 0 "[ . 1 . 2]" 1
564 1 48 ILE H 1 48 ILE HG13 3.540 . 3.540 2.012 1.964 2.068 . 0 0 "[ . 1 . 2]" 1
565 1 48 ILE H 1 48 ILE HG13 3.630 . 3.630 2.106 2.062 2.154 . 0 0 "[ . 1 . 2]" 1
566 1 48 ILE H 1 48 ILE MG 3.780 . 3.780 3.800 3.758 3.886 0.106 20 0 "[ . 1 . 2]" 1
567 1 48 ILE H 1 49 ALA H 3.630 . 3.630 2.743 2.660 2.827 . 0 0 "[ . 1 . 2]" 1
568 1 48 ILE HA 1 48 ILE MD 3.990 . 3.990 3.564 3.477 3.614 . 0 0 "[ . 1 . 2]" 1
569 1 48 ILE HA 1 48 ILE HG13 3.700 . 3.700 2.725 2.657 2.809 . 0 0 "[ . 1 . 2]" 1
570 1 48 ILE HA 1 48 ILE MG 3.620 . 3.620 2.501 2.471 2.537 . 0 0 "[ . 1 . 2]" 1
571 1 48 ILE HA 1 51 ILE H 4.160 . 4.160 3.376 3.162 3.599 . 0 0 "[ . 1 . 2]" 1
572 1 48 ILE HA 1 51 ILE MD 3.660 . 3.660 2.271 1.927 2.505 . 0 0 "[ . 1 . 2]" 1
573 1 48 ILE HA 1 52 ARG H 4.900 . 4.900 4.630 4.300 4.813 . 0 0 "[ . 1 . 2]" 1
574 1 48 ILE HB 1 49 ALA H 3.640 . 3.640 2.724 2.605 2.783 . 0 0 "[ . 1 . 2]" 1
575 1 48 ILE MD 1 48 ILE MG 3.270 . 3.270 2.177 2.123 2.306 . 0 0 "[ . 1 . 2]" 1
576 1 48 ILE MD 1 49 ALA H 4.600 . 4.600 4.542 4.476 4.614 0.014 8 0 "[ . 1 . 2]" 1
577 1 48 ILE MD 1 64 LEU QD 5.130 . 5.130 2.337 2.017 2.905 . 0 0 "[ . 1 . 2]" 1
578 1 48 ILE MD 1 61 ILE H 4.470 . 4.470 3.455 2.959 3.959 . 0 0 "[ . 1 . 2]" 1
579 1 48 ILE MD 1 61 ILE HB 3.960 . 3.960 2.384 2.195 2.769 . 0 0 "[ . 1 . 2]" 1
580 1 48 ILE MD 1 64 LEU QD 3.160 . 3.160 2.528 2.200 3.075 . 0 0 "[ . 1 . 2]" 1
581 1 48 ILE HG12 1 59 LEU MD2 5.020 . 5.020 3.832 2.194 5.281 0.261 11 0 "[ . 1 . 2]" 1
582 1 48 ILE HG13 1 51 ILE MD 4.190 . 4.190 3.642 3.287 3.945 . 0 0 "[ . 1 . 2]" 1
583 1 48 ILE MG 1 49 ALA H 4.020 . 4.020 3.423 3.350 3.538 . 0 0 "[ . 1 . 2]" 1
584 1 48 ILE MG 1 50 ARG H 5.130 . 5.130 5.093 4.985 5.183 0.053 12 0 "[ . 1 . 2]" 1
585 1 48 ILE MG 1 51 ILE MD 4.180 . 4.180 3.742 3.383 4.034 . 0 0 "[ . 1 . 2]" 1
586 1 48 ILE MG 1 51 ILE MG 4.200 . 4.200 4.198 4.092 4.332 0.132 15 0 "[ . 1 . 2]" 1
587 1 48 ILE MG 1 59 LEU H 4.430 . 4.430 2.394 2.068 2.811 . 0 0 "[ . 1 . 2]" 1
588 1 48 ILE MG 1 61 ILE H 5.020 . 5.020 3.998 3.861 4.204 . 0 0 "[ . 1 . 2]" 1
589 1 49 ALA H 1 49 ALA MB 2.950 . 2.950 2.247 2.220 2.268 . 0 0 "[ . 1 . 2]" 1
590 1 49 ALA H 1 50 ARG H 3.560 . 3.560 2.749 2.687 2.843 . 0 0 "[ . 1 . 2]" 1
591 1 49 ALA H 1 51 ILE H 4.810 . 4.810 4.131 4.073 4.241 . 0 0 "[ . 1 . 2]" 1
592 1 49 ALA H 1 52 ARG H 5.400 . 5.400 5.075 4.980 5.188 . 0 0 "[ . 1 . 2]" 1
593 1 49 ALA HA 1 52 ARG H 4.010 . 4.010 3.356 3.205 3.446 . 0 0 "[ . 1 . 2]" 1
594 1 49 ALA HA 1 52 ARG HD2 4.410 . 4.410 2.872 2.124 4.431 0.021 13 0 "[ . 1 . 2]" 1
595 1 49 ALA MB 1 50 ARG H 3.310 . 3.310 2.565 2.506 2.680 . 0 0 "[ . 1 . 2]" 1
596 1 49 ALA MB 1 51 ILE H 4.600 . 4.600 4.509 4.451 4.610 0.010 17 0 "[ . 1 . 2]" 1
597 1 50 ARG H 1 50 ARG HB2 3.250 . 3.250 2.212 1.972 2.435 . 0 0 "[ . 1 . 2]" 1
598 1 50 ARG H 1 50 ARG HB3 3.580 . 3.580 3.126 2.722 3.557 . 0 0 "[ . 1 . 2]" 1
599 1 50 ARG H 1 50 ARG HD2 4.970 . 4.970 4.338 3.216 4.992 0.022 16 0 "[ . 1 . 2]" 1
600 1 50 ARG H 1 50 ARG HD3 4.630 . 4.630 4.213 3.039 4.860 0.230 2 0 "[ . 1 . 2]" 1
601 1 50 ARG H 1 51 ILE H 3.700 . 3.700 2.649 2.564 2.720 . 0 0 "[ . 1 . 2]" 1
602 1 50 ARG H 1 52 ARG H 4.270 . 4.270 4.187 4.075 4.275 0.005 12 0 "[ . 1 . 2]" 1
603 1 50 ARG HA 1 50 ARG HD2 4.350 . 4.350 2.648 2.060 4.460 0.110 2 0 "[ . 1 . 2]" 1
604 1 50 ARG HA 1 50 ARG HD3 4.420 . 4.420 3.181 2.060 4.270 . 0 0 "[ . 1 . 2]" 1
605 1 50 ARG HA 1 53 GLU H 3.960 . 3.960 3.465 3.106 3.756 . 0 0 "[ . 1 . 2]" 1
606 1 50 ARG HA 1 54 GLU H 4.980 . 4.980 4.593 4.272 4.954 . 0 0 "[ . 1 . 2]" 1
607 1 50 ARG HB2 1 50 ARG HD3 4.090 . 4.090 2.927 2.164 4.241 0.151 8 0 "[ . 1 . 2]" 1
608 1 50 ARG HB2 1 51 ILE H 3.330 . 3.330 2.334 2.153 2.510 . 0 0 "[ . 1 . 2]" 1
609 1 50 ARG HB3 1 51 ILE H 3.570 . 3.570 3.036 2.581 3.798 0.228 6 0 "[ . 1 . 2]" 1
610 1 50 ARG HB3 1 51 ILE HA 4.320 . 4.320 4.077 3.756 4.555 0.235 6 0 "[ . 1 . 2]" 1
611 1 51 ILE H 1 51 ILE HB 3.610 . 3.610 2.464 2.285 2.617 . 0 0 "[ . 1 . 2]" 1
612 1 51 ILE H 1 51 ILE MD 3.590 . 3.590 3.242 3.140 3.311 . 0 0 "[ . 1 . 2]" 1
613 1 51 ILE H 1 51 ILE HG12 4.510 . 4.510 3.740 3.536 3.878 . 0 0 "[ . 1 . 2]" 1
614 1 51 ILE H 1 51 ILE HG13 4.370 . 4.370 2.409 2.175 2.576 . 0 0 "[ . 1 . 2]" 1
615 1 51 ILE H 1 51 ILE MG 3.860 . 3.860 3.755 3.637 3.825 . 0 0 "[ . 1 . 2]" 1
616 1 51 ILE H 1 52 ARG H 3.770 . 3.770 2.738 2.599 2.905 . 0 0 "[ . 1 . 2]" 1
617 1 51 ILE H 1 52 ARG QG 5.500 . 5.500 4.210 4.032 4.463 . 0 0 "[ . 1 . 2]" 1
618 1 51 ILE H 1 53 GLU H 4.700 . 4.700 4.285 4.085 4.468 . 0 0 "[ . 1 . 2]" 1
619 1 51 ILE HA 1 51 ILE MD 3.880 . 3.880 2.491 2.404 2.629 . 0 0 "[ . 1 . 2]" 1
620 1 51 ILE HA 1 51 ILE HG12 3.420 . 3.420 2.523 2.433 2.667 . 0 0 "[ . 1 . 2]" 1
621 1 51 ILE HA 1 51 ILE HG13 3.170 . 3.170 2.756 2.592 2.970 . 0 0 "[ . 1 . 2]" 1
622 1 51 ILE HA 1 51 ILE MG 3.430 . 3.430 2.437 2.326 2.597 . 0 0 "[ . 1 . 2]" 1
623 1 51 ILE HA 1 54 GLU H 4.390 . 4.390 3.324 3.133 3.461 . 0 0 "[ . 1 . 2]" 1
624 1 51 ILE HA 1 54 GLU HB3 4.220 . 4.220 4.213 2.618 4.532 0.312 16 0 "[ . 1 . 2]" 1
625 1 51 ILE HA 1 55 LEU H 4.610 . 4.610 3.366 3.164 3.603 . 0 0 "[ . 1 . 2]" 1
626 1 51 ILE HA 1 55 LEU QD 5.100 . 5.100 3.745 2.884 4.032 . 0 0 "[ . 1 . 2]" 1
627 1 51 ILE HB 1 52 ARG H 4.630 . 4.630 3.068 2.914 3.213 . 0 0 "[ . 1 . 2]" 1
628 1 51 ILE HB 1 52 ARG H 3.070 . 3.070 2.423 2.361 2.475 . 0 0 "[ . 1 . 2]" 1
629 1 51 ILE HB 1 59 LEU H 5.500 . 5.500 3.408 3.020 4.150 . 0 0 "[ . 1 . 2]" 1
630 1 51 ILE MD 1 52 ARG H 4.980 . 4.980 4.529 4.412 4.613 . 0 0 "[ . 1 . 2]" 1
631 1 51 ILE MD 1 57 VAL QG 4.720 . 4.720 4.526 4.149 4.780 0.060 9 0 "[ . 1 . 2]" 1
632 1 51 ILE MD 1 59 LEU H 4.420 . 4.420 3.400 3.242 3.592 . 0 0 "[ . 1 . 2]" 1
633 1 51 ILE MD 1 59 LEU HA 4.580 . 4.580 4.277 3.927 4.549 . 0 0 "[ . 1 . 2]" 1
634 1 51 ILE MD 1 64 LEU QD 4.590 . 4.590 2.752 1.999 3.422 . 0 0 "[ . 1 . 2]" 1
635 1 51 ILE MD 1 73 VAL QG 4.640 . 4.640 2.287 2.075 2.631 . 0 0 "[ . 1 . 2]" 1
636 1 51 ILE MD 1 59 LEU HG 3.600 . 3.600 2.727 1.922 3.904 0.304 18 0 "[ . 1 . 2]" 1
637 1 51 ILE MD 1 60 PRO HD2 5.200 . 5.200 5.509 5.310 5.697 0.497 4 0 "[ . 1 . 2]" 1
638 1 51 ILE MD 1 64 LEU QD 3.740 . 3.740 3.306 2.750 3.621 . 0 0 "[ . 1 . 2]" 1
639 1 51 ILE MG 1 52 ARG H 3.870 . 3.870 3.479 3.209 3.599 . 0 0 "[ . 1 . 2]" 1
640 1 51 ILE MG 1 52 ARG HG3 4.290 . 4.290 4.097 3.500 4.774 0.484 20 0 "[ . 1 . 2]" 1
641 1 51 ILE MG 1 53 GLU H 5.380 . 5.380 4.790 4.690 4.894 . 0 0 "[ . 1 . 2]" 1
642 1 51 ILE MG 1 54 GLU H 4.480 . 4.480 4.486 4.338 4.580 0.100 8 0 "[ . 1 . 2]" 1
643 1 51 ILE MG 1 55 LEU H 3.730 . 3.730 3.281 3.064 3.471 . 0 0 "[ . 1 . 2]" 1
644 1 51 ILE MG 1 55 LEU H 3.960 . 3.960 2.906 2.727 3.023 . 0 0 "[ . 1 . 2]" 1
645 1 51 ILE MG 1 56 GLY H 4.440 . 4.440 4.352 4.153 4.482 0.042 15 0 "[ . 1 . 2]" 1
646 1 51 ILE MG 1 57 VAL H 3.820 . 3.820 3.312 3.126 3.505 . 0 0 "[ . 1 . 2]" 1
647 1 51 ILE MG 1 59 LEU H 4.610 . 4.610 3.097 2.867 3.502 . 0 0 "[ . 1 . 2]" 1
648 1 51 ILE MG 1 59 LEU HB3 3.380 . 3.380 3.465 2.759 3.776 0.396 7 0 "[ . 1 . 2]" 1
649 1 52 ARG H 1 52 ARG HB2 3.550 . 3.550 2.377 2.297 2.455 . 0 0 "[ . 1 . 2]" 1
650 1 52 ARG H 1 52 ARG HB3 3.580 . 3.580 3.612 3.577 3.653 0.073 19 0 "[ . 1 . 2]" 1
651 1 52 ARG H 1 52 ARG HB3 3.680 . 3.680 3.297 3.231 3.362 . 0 0 "[ . 1 . 2]" 1
652 1 52 ARG H 1 52 ARG HD2 4.770 . 4.770 4.022 3.474 4.615 . 0 0 "[ . 1 . 2]" 1
653 1 52 ARG H 1 52 ARG HG2 4.720 . 4.720 3.478 2.930 3.770 . 0 0 "[ . 1 . 2]" 1
654 1 52 ARG H 1 52 ARG QG 3.830 . 3.830 2.214 1.980 2.385 . 0 0 "[ . 1 . 2]" 1
655 1 52 ARG H 1 52 ARG HG3 4.530 . 4.530 2.244 1.995 2.429 . 0 0 "[ . 1 . 2]" 1
656 1 52 ARG H 1 53 GLU HA 5.440 . 5.440 4.953 4.879 5.010 . 0 0 "[ . 1 . 2]" 1
657 1 52 ARG H 1 57 VAL H 5.330 . 5.330 4.920 4.741 5.099 . 0 0 "[ . 1 . 2]" 1
658 1 52 ARG HA 1 52 ARG HD2 4.480 . 4.480 4.659 4.247 4.963 0.483 14 0 "[ . 1 . 2]" 1
659 1 52 ARG HA 1 52 ARG HG3 3.840 . 3.840 3.052 2.809 3.488 . 0 0 "[ . 1 . 2]" 1
660 1 52 ARG HA 1 55 LEU H 4.900 . 4.900 3.908 3.692 4.160 . 0 0 "[ . 1 . 2]" 1
661 1 52 ARG HA 1 56 GLY H 3.710 . 3.710 3.333 3.143 3.527 . 0 0 "[ . 1 . 2]" 1
662 1 52 ARG HA 1 57 VAL H 3.200 . 3.200 2.393 2.251 2.523 . 0 0 "[ . 1 . 2]" 1
663 1 52 ARG HB2 1 52 ARG HD2 4.050 . 4.050 2.723 2.182 3.570 . 0 0 "[ . 1 . 2]" 1
664 1 52 ARG HB2 1 53 GLU H 3.600 . 3.600 2.864 2.717 2.958 . 0 0 "[ . 1 . 2]" 1
665 1 52 ARG HB2 1 54 GLU H 5.140 . 5.140 5.013 4.880 5.106 . 0 0 "[ . 1 . 2]" 1
666 1 52 ARG HB3 1 52 ARG HD2 4.070 . 4.070 3.223 2.213 3.903 . 0 0 "[ . 1 . 2]" 1
667 1 52 ARG HB3 1 53 GLU H 3.680 . 3.680 3.290 3.193 3.357 . 0 0 "[ . 1 . 2]" 1
668 1 52 ARG HB3 1 56 GLY H 5.260 . 5.260 4.971 4.666 5.293 0.033 20 0 "[ . 1 . 2]" 1
669 1 52 ARG HB3 1 57 VAL H 4.430 . 4.430 4.448 4.305 4.529 0.099 20 0 "[ . 1 . 2]" 1
670 1 52 ARG HD2 1 53 GLU H 5.410 . 5.410 5.407 4.783 6.177 0.767 12 3 "[* . 1 + -. 2]" 1
671 1 52 ARG HD2 1 58 ASP HA 5.330 . 5.330 4.374 3.450 5.132 . 0 0 "[ . 1 . 2]" 1
672 1 52 ARG QG 1 53 GLU H 4.580 . 4.580 4.149 3.968 4.283 . 0 0 "[ . 1 . 2]" 1
673 1 52 ARG QG 1 57 VAL H 4.240 . 4.240 4.028 3.860 4.156 . 0 0 "[ . 1 . 2]" 1
674 1 53 GLU H 1 53 GLU HB2 3.160 . 3.160 2.546 2.408 2.672 . 0 0 "[ . 1 . 2]" 1
675 1 53 GLU H 1 53 GLU HB2 3.730 . 3.730 2.104 1.834 2.427 . 0 0 "[ . 1 . 2]" 1
676 1 53 GLU H 1 53 GLU HG3 3.460 . 3.460 3.176 2.272 3.706 0.246 20 0 "[ . 1 . 2]" 1
677 1 53 GLU H 1 54 GLU H 3.550 . 3.550 2.315 2.253 2.415 . 0 0 "[ . 1 . 2]" 1
678 1 53 GLU H 1 54 GLU HA 4.970 . 4.970 4.991 4.921 5.051 0.081 10 0 "[ . 1 . 2]" 1
679 1 53 GLU H 1 55 LEU H 5.010 . 5.010 4.135 3.999 4.256 . 0 0 "[ . 1 . 2]" 1
680 1 53 GLU HA 1 53 GLU HG2 3.960 . 3.960 3.145 2.609 3.484 . 0 0 "[ . 1 . 2]" 1
681 1 53 GLU HA 1 53 GLU HG3 3.690 . 3.690 3.646 2.991 3.960 0.270 19 0 "[ . 1 . 2]" 1
682 1 53 GLU HB2 1 54 GLU H 3.350 . 3.350 2.557 2.345 2.728 . 0 0 "[ . 1 . 2]" 1
683 1 53 GLU HB2 1 54 GLU HA 4.470 . 4.470 3.989 3.738 4.319 . 0 0 "[ . 1 . 2]" 1
684 1 53 GLU HG3 1 54 GLU H 4.210 . 4.210 4.575 4.132 4.944 0.734 20 8 "[ * . - 1 ** *** +]" 1
685 1 54 GLU H 1 54 GLU HB2 3.620 . 3.620 2.312 2.161 2.656 . 0 0 "[ . 1 . 2]" 1
686 1 54 GLU H 1 54 GLU HB3 3.540 . 3.540 3.468 1.888 3.663 0.123 16 0 "[ . 1 . 2]" 1
687 1 54 GLU H 1 54 GLU HG2 3.840 . 3.840 2.740 2.395 4.204 0.364 13 0 "[ . 1 . 2]" 1
688 1 54 GLU H 1 54 GLU HG3 4.180 . 4.180 3.663 3.321 4.008 . 0 0 "[ . 1 . 2]" 1
689 1 54 GLU H 1 55 LEU H 3.430 . 3.430 2.590 2.370 2.694 . 0 0 "[ . 1 . 2]" 1
690 1 54 GLU H 1 55 LEU HA 5.290 . 5.290 5.244 5.012 5.332 0.042 18 0 "[ . 1 . 2]" 1
691 1 54 GLU H 1 55 LEU HG 4.910 . 4.910 4.583 4.308 4.872 . 0 0 "[ . 1 . 2]" 1
692 1 54 GLU H 1 56 GLY H 4.340 . 4.340 3.581 3.300 3.776 . 0 0 "[ . 1 . 2]" 1
693 1 54 GLU HA 1 54 GLU HG2 3.820 . 3.820 2.834 2.164 3.960 0.140 13 0 "[ . 1 . 2]" 1
694 1 54 GLU HB2 1 55 LEU H 4.260 . 4.260 2.636 2.344 3.932 . 0 0 "[ . 1 . 2]" 1
695 1 54 GLU HB3 1 55 LEU H 4.190 . 4.190 3.355 2.463 3.683 . 0 0 "[ . 1 . 2]" 1
696 1 54 GLU HG3 1 55 LEU H 4.870 . 4.870 4.778 2.987 5.031 0.161 14 0 "[ . 1 . 2]" 1
697 1 55 LEU H 1 55 LEU HB2 3.880 . 3.880 2.554 2.454 2.635 . 0 0 "[ . 1 . 2]" 1
698 1 55 LEU H 1 55 LEU HB3 3.700 . 3.700 3.703 3.652 3.755 0.055 16 0 "[ . 1 . 2]" 1
699 1 55 LEU H 1 55 LEU QD 4.290 . 4.290 3.259 2.873 3.471 . 0 0 "[ . 1 . 2]" 1
700 1 55 LEU H 1 55 LEU HG 3.980 . 3.980 2.719 2.538 3.128 . 0 0 "[ . 1 . 2]" 1
701 1 55 LEU H 1 56 GLY H 3.250 . 3.250 2.133 1.933 2.248 . 0 0 "[ . 1 . 2]" 1
702 1 55 LEU H 1 56 GLY H 3.550 . 3.550 2.071 1.894 2.176 . 0 0 "[ . 1 . 2]" 1
703 1 55 LEU H 1 56 GLY QA 4.360 . 4.360 4.101 3.955 4.189 . 0 0 "[ . 1 . 2]" 1
704 1 55 LEU H 1 57 VAL H 3.920 . 3.920 3.605 3.345 3.735 . 0 0 "[ . 1 . 2]" 1
705 1 55 LEU H 1 57 VAL QG 4.630 . 4.630 4.050 3.533 4.179 . 0 0 "[ . 1 . 2]" 1
706 1 55 LEU HA 1 57 VAL MG1 4.840 . 4.840 3.630 3.524 3.740 . 0 0 "[ . 1 . 2]" 1
707 1 55 LEU HA 1 55 LEU QD . . 3.000 2.334 2.108 2.495 . 0 0 "[ . 1 . 2]" 1
708 1 55 LEU HA 1 57 VAL H 5.250 . 5.250 4.227 4.144 4.301 . 0 0 "[ . 1 . 2]" 1
709 1 55 LEU HB2 1 57 VAL QG 3.960 . 3.960 2.222 2.044 2.460 . 0 0 "[ . 1 . 2]" 1
710 1 55 LEU HB3 1 56 GLY H 4.410 . 4.410 4.226 4.103 4.287 . 0 0 "[ . 1 . 2]" 1
711 1 55 LEU HB3 1 57 VAL H 3.970 . 3.970 4.069 3.966 4.233 0.263 20 0 "[ . 1 . 2]" 1
712 1 55 LEU QD 1 56 GLY H 4.690 . 4.690 4.338 4.235 4.412 . 0 0 "[ . 1 . 2]" 1
713 1 55 LEU QD 1 57 VAL H 5.500 . 5.500 4.435 4.310 4.675 . 0 0 "[ . 1 . 2]" 1
714 1 55 LEU HG 1 56 GLY H 4.540 . 4.540 4.575 4.519 4.658 0.118 19 0 "[ . 1 . 2]" 1
715 1 56 GLY H 1 57 VAL H 3.470 . 3.470 2.707 2.592 2.850 . 0 0 "[ . 1 . 2]" 1
716 1 56 GLY H 1 57 VAL QG 4.490 . 4.490 3.848 3.674 4.003 . 0 0 "[ . 1 . 2]" 1
717 1 56 GLY QA 1 57 VAL H 3.280 . 3.280 2.899 2.840 2.933 . 0 0 "[ . 1 . 2]" 1
718 1 57 VAL H 1 57 VAL HB 3.950 . 3.950 3.784 3.199 3.965 0.015 19 0 "[ . 1 . 2]" 1
719 1 57 VAL H 1 57 VAL QG 3.170 . 3.170 2.292 2.171 2.379 . 0 0 "[ . 1 . 2]" 1
720 1 57 VAL H 1 58 ASP H 4.440 . 4.440 4.437 4.341 4.483 0.043 10 0 "[ . 1 . 2]" 1
721 1 57 VAL HA 1 57 VAL QG . . 3.330 2.307 2.262 2.364 . 0 0 "[ . 1 . 2]" 1
722 1 57 VAL HA 1 58 ASP H 3.180 . 3.180 2.291 2.189 2.423 . 0 0 "[ . 1 . 2]" 1
723 1 57 VAL HB 1 58 ASP H 4.050 . 4.050 2.913 2.383 4.089 0.039 15 0 "[ . 1 . 2]" 1
724 1 57 VAL QG 1 58 ASP H . . 3.900 3.099 2.267 3.368 . 0 0 "[ . 1 . 2]" 1
725 1 57 VAL QG 1 59 LEU H 4.260 . 4.260 3.823 3.277 4.280 0.020 8 0 "[ . 1 . 2]" 1
726 1 58 ASP H 1 58 ASP HB2 3.710 . 3.710 3.009 2.219 3.725 0.015 15 0 "[ . 1 . 2]" 1
727 1 58 ASP H 1 58 ASP HB3 3.850 . 3.850 2.902 2.526 3.562 . 0 0 "[ . 1 . 2]" 1
728 1 58 ASP H 1 59 LEU H 4.850 . 4.850 4.360 4.078 4.580 . 0 0 "[ . 1 . 2]" 1
729 1 58 ASP HA 1 59 LEU H 3.280 . 3.280 2.184 2.137 2.297 . 0 0 "[ . 1 . 2]" 1
730 1 58 ASP HB2 1 59 LEU H 4.620 . 4.620 4.089 3.061 4.588 . 0 0 "[ . 1 . 2]" 1
731 1 58 ASP HB3 1 59 LEU H 4.400 . 4.400 4.232 3.607 4.441 0.041 16 0 "[ . 1 . 2]" 1
732 1 59 LEU H 1 59 LEU HB2 3.600 . 3.600 2.442 2.159 2.899 . 0 0 "[ . 1 . 2]" 1
733 1 59 LEU H 1 59 LEU HB3 3.760 . 3.760 2.592 2.365 2.735 . 0 0 "[ . 1 . 2]" 1
734 1 59 LEU H 1 59 LEU HG 4.690 . 4.690 4.506 4.395 4.601 . 0 0 "[ . 1 . 2]" 1
735 1 59 LEU HA 1 59 LEU MD2 3.820 . 3.820 2.843 2.063 3.965 0.145 3 0 "[ . 1 . 2]" 1
736 1 59 LEU HA 1 60 PRO HD2 3.630 . 3.630 2.545 2.050 2.784 . 0 0 "[ . 1 . 2]" 1
737 1 59 LEU QD 1 60 PRO HD2 4.180 . 4.180 2.299 1.867 3.164 . 0 0 "[ . 1 . 2]" 1
738 1 59 LEU QD 1 63 GLN HB2 3.990 . 3.990 2.881 2.255 3.560 . 0 0 "[ . 1 . 2]" 1
739 1 59 LEU QD 1 64 LEU H 5.350 . 5.350 3.010 2.634 3.471 . 0 0 "[ . 1 . 2]" 1
740 1 59 LEU MD2 1 60 PRO HD2 4.320 . 4.320 2.871 1.872 4.202 . 0 0 "[ . 1 . 2]" 1
741 1 59 LEU MD2 1 63 GLN QG 4.820 . 4.820 4.315 2.797 5.515 0.695 3 3 "[ + - 1 * 2]" 1
742 1 59 LEU MD2 1 64 LEU H 5.340 . 5.340 4.160 2.656 5.160 . 0 0 "[ . 1 . 2]" 1
743 1 59 LEU MD2 1 64 LEU QD 4.130 . 4.130 3.323 2.009 5.069 0.939 4 1 "[ +. 1 . 2]" 1
744 1 59 LEU MD2 1 73 VAL QG 4.470 . 4.470 2.339 2.104 2.862 . 0 0 "[ . 1 . 2]" 1
745 1 60 PRO HA 1 61 ILE H 3.210 . 3.210 2.224 2.130 2.314 . 0 0 "[ . 1 . 2]" 1
746 1 60 PRO HA 1 61 ILE HB 4.870 . 4.870 4.504 4.330 4.586 . 0 0 "[ . 1 . 2]" 1
747 1 60 PRO HA 1 62 ARG H 4.660 . 4.660 3.702 3.546 3.862 . 0 0 "[ . 1 . 2]" 1
748 1 60 PRO HA 1 63 GLN H 4.600 . 4.600 4.522 4.387 4.686 0.086 20 0 "[ . 1 . 2]" 1
749 1 60 PRO HB2 1 63 GLN H 4.380 . 4.380 2.461 2.115 2.966 . 0 0 "[ . 1 . 2]" 1
750 1 60 PRO HB2 1 63 GLN HB2 4.300 . 4.300 2.847 2.261 3.755 . 0 0 "[ . 1 . 2]" 1
751 1 60 PRO HD2 1 63 GLN HB2 4.110 . 4.110 3.126 2.341 4.087 . 0 0 "[ . 1 . 2]" 1
752 1 61 ILE H 1 61 ILE HB 3.610 . 3.610 2.370 2.291 2.448 . 0 0 "[ . 1 . 2]" 1
753 1 61 ILE H 1 61 ILE HG13 4.750 . 4.750 4.304 4.261 4.345 . 0 0 "[ . 1 . 2]" 1
754 1 61 ILE H 1 61 ILE MG 3.570 . 3.570 2.396 2.319 2.495 . 0 0 "[ . 1 . 2]" 1
755 1 61 ILE H 1 62 ARG H 4.260 . 4.260 2.756 2.607 3.019 . 0 0 "[ . 1 . 2]" 1
756 1 61 ILE HA 1 61 ILE HG13 4.000 . 4.000 2.229 2.157 2.292 . 0 0 "[ . 1 . 2]" 1
757 1 61 ILE HA 1 64 LEU H 4.120 . 4.120 3.093 2.934 3.237 . 0 0 "[ . 1 . 2]" 1
758 1 61 ILE HA 1 64 LEU QD 4.310 . 4.310 3.106 2.198 3.686 . 0 0 "[ . 1 . 2]" 1
759 1 61 ILE HA 1 65 PHE H 5.360 . 5.360 4.083 3.896 4.367 . 0 0 "[ . 1 . 2]" 1
760 1 61 ILE MD 1 65 PHE HB2 5.390 . 5.390 4.509 4.344 4.805 . 0 0 "[ . 1 . 2]" 1
761 1 61 ILE MD 1 65 PHE QD 4.820 . 4.820 3.480 3.070 3.828 . 0 0 "[ . 1 . 2]" 1
762 1 61 ILE MD 1 65 PHE QE 4.640 . 4.640 2.747 2.526 3.012 . 0 0 "[ . 1 . 2]" 1
763 1 61 ILE MD 1 65 PHE HZ 4.220 . 4.220 2.469 2.387 2.599 . 0 0 "[ . 1 . 2]" 1
764 1 61 ILE HG12 1 65 PHE QE 4.960 . 4.960 3.101 2.888 3.478 . 0 0 "[ . 1 . 2]" 1
765 1 61 ILE HG12 1 65 PHE HZ 4.210 . 4.210 3.313 2.984 3.822 . 0 0 "[ . 1 . 2]" 1
766 1 61 ILE HG13 1 64 LEU QD 4.160 . 4.160 2.714 2.290 3.251 . 0 0 "[ . 1 . 2]" 1
767 1 61 ILE MG 1 62 ARG H 3.250 . 3.250 2.542 2.457 2.622 . 0 0 "[ . 1 . 2]" 1
768 1 61 ILE MG 1 62 ARG HA 4.280 . 4.280 3.372 3.286 3.457 . 0 0 "[ . 1 . 2]" 1
769 1 61 ILE MG 1 63 GLN H 4.980 . 4.980 4.622 4.518 4.690 . 0 0 "[ . 1 . 2]" 1
770 1 62 ARG H 1 62 ARG HB2 3.540 . 3.540 2.303 2.067 2.594 . 0 0 "[ . 1 . 2]" 1
771 1 62 ARG H 1 62 ARG HB3 3.520 . 3.520 3.079 2.484 3.608 0.088 19 0 "[ . 1 . 2]" 1
772 1 62 ARG H 1 62 ARG QD 4.970 . 4.970 4.228 2.626 4.725 . 0 0 "[ . 1 . 2]" 1
773 1 62 ARG H 1 62 ARG QG 4.400 . 4.400 3.351 2.300 4.103 . 0 0 "[ . 1 . 2]" 1
774 1 62 ARG H 1 63 GLN H 3.750 . 3.750 2.673 2.537 2.746 . 0 0 "[ . 1 . 2]" 1
775 1 62 ARG H 1 64 LEU H 4.610 . 4.610 4.121 3.903 4.404 . 0 0 "[ . 1 . 2]" 1
776 1 62 ARG H 1 65 PHE H 5.130 . 5.130 4.802 4.742 4.943 . 0 0 "[ . 1 . 2]" 1
777 1 62 ARG HA 1 62 ARG QD 4.170 . 4.170 3.087 2.012 4.214 0.044 4 0 "[ . 1 . 2]" 1
778 1 62 ARG HA 1 62 ARG QG 3.990 . 3.990 2.545 2.264 2.944 . 0 0 "[ . 1 . 2]" 1
779 1 62 ARG HA 1 64 LEU H 4.430 . 4.430 4.382 4.235 4.521 0.091 20 0 "[ . 1 . 2]" 1
780 1 62 ARG HA 1 65 PHE H 3.900 . 3.900 3.458 3.240 3.766 . 0 0 "[ . 1 . 2]" 1
781 1 62 ARG HA 1 65 PHE HB2 4.150 . 4.150 2.916 2.562 3.405 . 0 0 "[ . 1 . 2]" 1
782 1 62 ARG HB2 1 63 GLN H 4.140 . 4.140 3.159 2.641 3.573 . 0 0 "[ . 1 . 2]" 1
783 1 62 ARG HB3 1 63 GLN H 3.510 . 3.510 3.179 2.615 3.844 0.334 10 0 "[ . 1 . 2]" 1
784 1 62 ARG HB3 1 63 GLN HE21 4.150 . 4.150 3.805 2.804 4.492 0.342 7 0 "[ . 1 . 2]" 1
785 1 62 ARG HB3 1 64 LEU H 5.470 . 5.470 5.272 4.915 5.705 0.235 10 0 "[ . 1 . 2]" 1
786 1 62 ARG QG 1 63 GLN HE21 4.860 . 4.860 4.799 3.566 5.448 0.588 13 1 "[ . 1 + . 2]" 1
787 1 63 GLN H 1 63 GLN HB2 3.340 . 3.340 2.184 1.985 2.547 . 0 0 "[ . 1 . 2]" 1
788 1 63 GLN H 1 63 GLN HB3 3.670 . 3.670 3.423 3.257 3.632 . 0 0 "[ . 1 . 2]" 1
789 1 63 GLN H 1 63 GLN QG 3.920 . 3.920 3.534 2.241 3.941 0.021 6 0 "[ . 1 . 2]" 1
790 1 63 GLN H 1 64 LEU H 3.200 . 3.200 2.501 2.344 2.712 . 0 0 "[ . 1 . 2]" 1
791 1 63 GLN H 1 64 LEU HA 5.370 . 5.370 5.162 5.011 5.335 . 0 0 "[ . 1 . 2]" 1
792 1 63 GLN HA 1 63 GLN QG 3.720 . 3.720 2.486 2.046 3.098 . 0 0 "[ . 1 . 2]" 1
793 1 63 GLN HA 1 66 SER H 4.240 . 4.240 3.411 3.074 3.882 . 0 0 "[ . 1 . 2]" 1
794 1 63 GLN HA 1 77 LEU HB3 5.450 . 5.450 5.508 5.457 5.625 0.175 20 0 "[ . 1 . 2]" 1
795 1 63 GLN HB2 1 63 GLN HE21 4.090 . 4.090 3.276 1.914 4.223 0.133 18 0 "[ . 1 . 2]" 1
796 1 63 GLN HB2 1 64 LEU H 3.960 . 3.960 2.977 2.650 3.285 . 0 0 "[ . 1 . 2]" 1
797 1 63 GLN HB2 1 73 VAL QG 4.280 . 4.280 3.591 2.771 4.297 0.017 10 0 "[ . 1 . 2]" 1
798 1 63 GLN HB3 1 64 LEU H 4.240 . 4.240 3.296 2.823 3.883 . 0 0 "[ . 1 . 2]" 1
799 1 63 GLN QG 1 77 LEU HB2 3.580 . 3.580 3.368 3.173 3.647 0.067 5 0 "[ . 1 . 2]" 1
800 1 63 GLN QG 1 77 LEU HB3 4.490 . 4.490 2.451 2.034 2.873 . 0 0 "[ . 1 . 2]" 1
801 1 64 LEU H 1 64 LEU HB2 3.410 . 3.410 2.305 2.020 2.450 . 0 0 "[ . 1 . 2]" 1
802 1 64 LEU H 1 64 LEU HB3 3.630 . 3.630 2.897 2.482 3.567 . 0 0 "[ . 1 . 2]" 1
803 1 64 LEU H 1 64 LEU HB3 3.300 . 3.300 2.660 2.471 2.995 . 0 0 "[ . 1 . 2]" 1
804 1 64 LEU H 1 64 LEU QD 4.510 . 4.510 3.556 3.179 3.699 . 0 0 "[ . 1 . 2]" 1
805 1 64 LEU H 1 64 LEU HG 4.730 . 4.730 4.012 2.579 4.579 . 0 0 "[ . 1 . 2]" 1
806 1 64 LEU H 1 65 PHE H 3.320 . 3.320 2.727 2.647 2.845 . 0 0 "[ . 1 . 2]" 1
807 1 64 LEU H 1 65 PHE HA 5.350 . 5.350 5.341 5.285 5.395 0.045 9 0 "[ . 1 . 2]" 1
808 1 64 LEU H 1 65 PHE HB2 5.050 . 5.050 4.896 4.802 5.042 . 0 0 "[ . 1 . 2]" 1
809 1 64 LEU H 1 66 SER H 4.620 . 4.620 3.994 3.762 4.138 . 0 0 "[ . 1 . 2]" 1
810 1 64 LEU HA 1 64 LEU QD 3.470 . 3.470 2.155 2.040 2.451 . 0 0 "[ . 1 . 2]" 1
811 1 64 LEU HA 1 68 PRO HA 4.470 . 4.470 3.701 3.379 4.090 . 0 0 "[ . 1 . 2]" 1
812 1 64 LEU HA 1 73 VAL QG 4.840 . 4.840 2.170 1.919 2.605 . 0 0 "[ . 1 . 2]" 1
813 1 64 LEU HB2 1 65 PHE H 3.880 . 3.880 3.426 2.620 3.803 . 0 0 "[ . 1 . 2]" 1
814 1 64 LEU HB3 1 65 PHE HA 4.820 . 4.820 3.729 3.357 4.165 . 0 0 "[ . 1 . 2]" 1
815 1 64 LEU HB3 1 68 PRO HA 5.350 . 5.350 3.505 2.921 4.107 . 0 0 "[ . 1 . 2]" 1
816 1 64 LEU HB3 1 65 PHE H 3.600 . 3.600 2.717 2.335 3.439 . 0 0 "[ . 1 . 2]" 1
817 1 64 LEU HB3 1 66 SER H 5.460 . 5.460 4.928 4.575 5.382 . 0 0 "[ . 1 . 2]" 1
818 1 64 LEU HB3 1 67 SER H 5.500 . 5.500 5.390 5.083 5.571 0.071 10 0 "[ . 1 . 2]" 1
819 1 64 LEU QD 1 65 PHE H 4.650 . 4.650 3.952 3.760 4.166 . 0 0 "[ . 1 . 2]" 1
820 1 64 LEU QD 1 65 PHE QE 4.970 . 4.970 3.587 2.510 4.720 . 0 0 "[ . 1 . 2]" 1
821 1 64 LEU QD 1 68 PRO HA 4.050 . 4.050 2.976 2.614 3.676 . 0 0 "[ . 1 . 2]" 1
822 1 64 LEU QD 1 73 VAL QG . . 3.600 2.152 1.949 2.308 . 0 0 "[ . 1 . 2]" 1
823 1 64 LEU HG 1 68 PRO HB2 4.890 . 4.890 4.074 3.892 4.319 . 0 0 "[ . 1 . 2]" 1
824 1 65 PHE H 1 65 PHE HB2 3.290 . 3.290 2.418 2.305 2.498 . 0 0 "[ . 1 . 2]" 1
825 1 65 PHE H 1 65 PHE HB3 3.680 . 3.680 3.609 3.578 3.662 . 0 0 "[ . 1 . 2]" 1
826 1 65 PHE H 1 65 PHE QD 4.400 . 4.400 3.133 2.906 3.335 . 0 0 "[ . 1 . 2]" 1
827 1 65 PHE H 1 66 SER H 3.550 . 3.550 2.614 2.479 2.682 . 0 0 "[ . 1 . 2]" 1
828 1 65 PHE H 1 67 SER H 4.290 . 4.290 4.104 3.982 4.268 . 0 0 "[ . 1 . 2]" 1
829 1 65 PHE HA 1 65 PHE QE 4.400 . 4.400 4.364 4.334 4.400 0.000 5 0 "[ . 1 . 2]" 1
830 1 65 PHE HB2 1 66 SER H 4.140 . 4.140 2.985 2.718 3.188 . 0 0 "[ . 1 . 2]" 1
831 1 65 PHE HB3 1 66 SER H 4.200 . 4.200 3.846 3.683 4.003 . 0 0 "[ . 1 . 2]" 1
832 1 65 PHE HB3 1 67 SER H 5.500 . 5.500 5.409 5.328 5.521 0.021 16 0 "[ . 1 . 2]" 1
833 1 66 SER H 1 66 SER HB2 3.840 . 3.840 2.511 2.416 2.639 . 0 0 "[ . 1 . 2]" 1
834 1 66 SER H 1 66 SER QB 3.260 . 3.260 2.356 2.214 2.496 . 0 0 "[ . 1 . 2]" 1
835 1 66 SER H 1 66 SER HB3 4.060 . 4.060 3.089 2.456 3.671 . 0 0 "[ . 1 . 2]" 1
836 1 66 SER H 1 67 SER H 3.640 . 3.640 2.470 2.349 2.630 . 0 0 "[ . 1 . 2]" 1
837 1 66 SER QB 1 67 SER H 3.490 . 3.490 2.846 2.667 3.002 . 0 0 "[ . 1 . 2]" 1
838 1 66 SER HB2 1 67 SER H 3.820 . 3.820 3.474 2.836 4.050 0.230 6 0 "[ . 1 . 2]" 1
839 1 66 SER HB3 1 67 SER H 4.260 . 4.260 3.420 2.711 4.113 . 0 0 "[ . 1 . 2]" 1
840 1 67 SER H 1 67 SER HB2 4.110 . 4.110 3.030 2.777 3.929 . 0 0 "[ . 1 . 2]" 1
841 1 67 SER H 1 67 SER HB2 3.680 . 3.680 2.813 2.646 3.213 . 0 0 "[ . 1 . 2]" 1
842 1 67 SER H 1 68 PRO HA 5.500 . 5.500 4.177 4.059 4.285 . 0 0 "[ . 1 . 2]" 1
843 1 68 PRO HA 1 73 VAL QG 5.500 . 5.500 3.824 2.807 4.444 . 0 0 "[ . 1 . 2]" 1
844 1 69 THR H 1 69 THR MG 3.410 . 3.410 2.802 2.429 3.118 . 0 0 "[ . 1 . 2]" 1
845 1 69 THR H 1 72 GLY HA3 4.280 . 4.280 3.343 3.002 3.636 . 0 0 "[ . 1 . 2]" 1
846 1 69 THR H 1 73 VAL HA 5.500 . 5.500 5.082 4.850 5.501 0.001 18 0 "[ . 1 . 2]" 1
847 1 69 THR H 1 73 VAL QG 5.000 . 5.000 3.737 2.772 4.565 . 0 0 "[ . 1 . 2]" 1
848 1 69 THR HA 1 69 THR MG 3.490 . 3.490 2.375 2.325 2.473 . 0 0 "[ . 1 . 2]" 1
849 1 69 THR HB 1 71 ALA H 4.340 . 4.340 3.120 3.000 3.290 . 0 0 "[ . 1 . 2]" 1
850 1 69 THR HB 1 72 GLY H 5.140 . 5.140 3.169 3.043 3.296 . 0 0 "[ . 1 . 2]" 1
851 1 69 THR HB 1 73 VAL H 5.020 . 5.020 4.975 4.732 5.091 0.071 20 0 "[ . 1 . 2]" 1
852 1 69 THR MG 1 71 ALA H 4.520 . 4.520 4.639 4.532 4.796 0.276 19 0 "[ . 1 . 2]" 1
853 1 69 THR MG 1 72 GLY H 5.030 . 5.030 4.091 3.886 4.245 . 0 0 "[ . 1 . 2]" 1
854 1 69 THR MG 1 73 VAL QG 5.500 . 5.500 5.218 4.781 5.547 0.047 18 0 "[ . 1 . 2]" 1
855 1 70 PRO HA 1 73 VAL H 4.160 . 4.160 3.580 3.399 3.821 . 0 0 "[ . 1 . 2]" 1
856 1 70 PRO HA 1 73 VAL HB 4.240 . 4.240 3.635 2.835 4.279 0.039 19 0 "[ . 1 . 2]" 1
857 1 70 PRO HB2 1 71 ALA H 4.130 . 4.130 3.409 3.024 3.508 . 0 0 "[ . 1 . 2]" 1
858 1 70 PRO HB3 1 71 ALA H 4.260 . 4.260 4.235 4.139 4.309 0.049 17 0 "[ . 1 . 2]" 1
859 1 70 PRO HD3 1 72 GLY H 5.340 . 5.340 4.707 4.619 4.823 . 0 0 "[ . 1 . 2]" 1
860 1 70 PRO QG 1 72 GLY H 4.670 . 4.670 4.525 4.324 4.725 0.055 10 0 "[ . 1 . 2]" 1
861 1 71 ALA H 1 71 ALA MB 3.260 . 3.260 2.253 2.222 2.296 . 0 0 "[ . 1 . 2]" 1
862 1 71 ALA H 1 72 GLY H 3.690 . 3.690 2.450 2.342 2.585 . 0 0 "[ . 1 . 2]" 1
863 1 71 ALA H 1 72 GLY HA3 4.980 . 4.980 4.736 4.619 4.856 . 0 0 "[ . 1 . 2]" 1
864 1 71 ALA H 1 74 ALA MB 4.770 . 4.770 4.805 4.664 4.905 0.135 4 0 "[ . 1 . 2]" 1
865 1 71 ALA HA 1 73 VAL H 5.270 . 5.270 4.558 4.288 4.745 . 0 0 "[ . 1 . 2]" 1
866 1 71 ALA HA 1 74 ALA H 4.220 . 4.220 3.419 3.085 3.738 . 0 0 "[ . 1 . 2]" 1
867 1 71 ALA HA 1 74 ALA MB 3.720 . 3.720 2.605 2.389 2.765 . 0 0 "[ . 1 . 2]" 1
868 1 71 ALA MB 1 72 GLY H 3.660 . 3.660 2.778 2.672 2.858 . 0 0 "[ . 1 . 2]" 1
869 1 71 ALA MB 1 73 VAL H 5.330 . 5.330 4.762 4.691 4.900 . 0 0 "[ . 1 . 2]" 1
870 1 71 ALA MB 1 74 ALA H 4.950 . 4.950 4.610 4.369 4.877 . 0 0 "[ . 1 . 2]" 1
871 1 72 GLY H 1 73 VAL H 3.670 . 3.670 2.645 2.456 2.778 . 0 0 "[ . 1 . 2]" 1
872 1 72 GLY H 1 73 VAL HB 4.900 . 4.900 4.845 4.598 4.969 0.069 16 0 "[ . 1 . 2]" 1
873 1 72 GLY H 1 73 VAL QG 4.470 . 4.470 4.076 3.920 4.248 . 0 0 "[ . 1 . 2]" 1
874 1 72 GLY HA3 1 74 ALA H 4.960 . 4.960 4.627 4.453 4.914 . 0 0 "[ . 1 . 2]" 1
875 1 73 VAL H 1 73 VAL HB 3.660 . 3.660 2.433 2.253 2.559 . 0 0 "[ . 1 . 2]" 1
876 1 73 VAL H 1 73 VAL QG . . 3.390 2.274 2.098 2.627 . 0 0 "[ . 1 . 2]" 1
877 1 73 VAL H 1 74 ALA H 3.680 . 3.680 2.711 2.575 2.804 . 0 0 "[ . 1 . 2]" 1
878 1 73 VAL H 1 74 ALA MB 4.500 . 4.500 3.964 3.922 4.042 . 0 0 "[ . 1 . 2]" 1
879 1 73 VAL H 1 75 ARG H 4.700 . 4.700 4.402 4.197 4.650 . 0 0 "[ . 1 . 2]" 1
880 1 73 VAL HA 1 75 ARG H 4.830 . 4.830 4.478 4.215 4.790 . 0 0 "[ . 1 . 2]" 1
881 1 73 VAL HA 1 76 ALA H 3.850 . 3.850 3.356 3.047 3.643 . 0 0 "[ . 1 . 2]" 1
882 1 73 VAL HA 1 77 LEU H 4.530 . 4.530 3.888 3.713 4.074 . 0 0 "[ . 1 . 2]" 1
883 1 73 VAL HB 1 74 ALA H 4.050 . 4.050 3.433 2.514 4.039 . 0 0 "[ . 1 . 2]" 1
884 1 73 VAL QG 1 74 ALA H 4.000 . 4.000 2.671 2.165 3.294 . 0 0 "[ . 1 . 2]" 1
885 1 73 VAL QG 1 74 ALA MB 5.260 . 5.260 3.467 3.087 3.975 . 0 0 "[ . 1 . 2]" 1
886 1 73 VAL QG 1 76 ALA H 4.980 . 4.980 4.307 4.131 4.515 . 0 0 "[ . 1 . 2]" 1
887 1 73 VAL QG 1 77 LEU H 4.340 . 4.340 3.340 3.207 3.449 . 0 0 "[ . 1 . 2]" 1
888 1 74 ALA H 1 74 ALA MB 3.180 . 3.180 2.218 2.159 2.276 . 0 0 "[ . 1 . 2]" 1
889 1 74 ALA H 1 75 ARG H 3.600 . 3.600 2.826 2.562 3.021 . 0 0 "[ . 1 . 2]" 1
890 1 74 ALA H 1 75 ARG QG 4.830 . 4.830 4.399 3.892 4.745 . 0 0 "[ . 1 . 2]" 1
891 1 74 ALA H 1 77 LEU MD2 4.310 . 4.310 4.070 3.726 4.304 . 0 0 "[ . 1 . 2]" 1
892 1 74 ALA H 1 77 LEU HG 4.980 . 4.980 4.800 4.379 5.052 0.072 20 0 "[ . 1 . 2]" 1
893 1 74 ALA HA 1 76 ALA H 5.060 . 5.060 4.451 4.269 4.617 . 0 0 "[ . 1 . 2]" 1
894 1 74 ALA HA 1 77 LEU H 4.200 . 4.200 3.770 3.610 4.020 . 0 0 "[ . 1 . 2]" 1
895 1 74 ALA HA 1 77 LEU MD2 3.830 . 3.830 2.328 2.028 2.616 . 0 0 "[ . 1 . 2]" 1
896 1 74 ALA MB 1 75 ARG H 3.370 . 3.370 2.476 2.369 2.599 . 0 0 "[ . 1 . 2]" 1
897 1 75 ARG H 1 75 ARG HB3 3.320 . 3.320 3.287 2.408 3.749 0.429 11 0 "[ . 1 . 2]" 1
898 1 75 ARG H 1 75 ARG QG . . 3.170 2.248 1.949 2.410 . 0 0 "[ . 1 . 2]" 1
899 1 75 ARG H 1 76 ALA H 3.260 . 3.260 2.536 2.385 2.649 . 0 0 "[ . 1 . 2]" 1
900 1 75 ARG H 1 76 ALA HA 5.340 . 5.340 5.180 5.036 5.252 . 0 0 "[ . 1 . 2]" 1
901 1 75 ARG H 1 76 ALA MB 4.350 . 4.350 3.910 3.751 3.990 . 0 0 "[ . 1 . 2]" 1
902 1 75 ARG H 1 77 LEU H 4.580 . 4.580 4.289 4.066 4.427 . 0 0 "[ . 1 . 2]" 1
903 1 75 ARG HA 1 75 ARG HD3 4.680 . 4.680 4.536 3.609 5.355 0.675 14 1 "[ . 1 +. 2]" 1
904 1 75 ARG HA 1 75 ARG QG . . 3.720 2.742 2.323 3.375 . 0 0 "[ . 1 . 2]" 1
905 1 75 ARG HA 1 78 ALA H 3.560 . 3.560 3.399 3.243 3.564 0.004 2 0 "[ . 1 . 2]" 1
906 1 75 ARG HA 1 78 ALA MB 3.520 . 3.520 2.456 2.268 2.706 . 0 0 "[ . 1 . 2]" 1
907 1 75 ARG HB2 1 75 ARG HD2 3.950 . 3.950 3.053 2.306 4.180 0.230 15 0 "[ . 1 . 2]" 1
908 1 75 ARG HB2 1 76 ALA H 4.120 . 4.120 2.622 2.262 2.861 . 0 0 "[ . 1 . 2]" 1
909 1 75 ARG HB3 1 76 ALA H 4.010 . 4.010 3.862 3.631 4.067 0.057 12 0 "[ . 1 . 2]" 1
910 1 75 ARG QG 1 76 ALA H . . 4.370 3.584 2.279 4.145 . 0 0 "[ . 1 . 2]" 1
911 1 76 ALA H 1 76 ALA MB 2.880 . 2.880 2.227 2.181 2.256 . 0 0 "[ . 1 . 2]" 1
912 1 76 ALA H 1 77 LEU H 3.430 . 3.430 2.720 2.553 2.871 . 0 0 "[ . 1 . 2]" 1
913 1 76 ALA H 1 77 LEU MD2 5.030 . 5.030 4.842 4.691 5.005 . 0 0 "[ . 1 . 2]" 1
914 1 76 ALA MB 1 77 LEU H 3.210 . 3.210 2.557 2.367 2.692 . 0 0 "[ . 1 . 2]" 1
915 1 77 LEU H 1 77 LEU HB2 3.630 . 3.630 3.644 3.628 3.667 0.037 20 0 "[ . 1 . 2]" 1
916 1 77 LEU H 1 77 LEU HB3 3.210 . 3.210 2.604 2.490 2.719 . 0 0 "[ . 1 . 2]" 1
917 1 77 LEU H 1 77 LEU MD2 3.500 . 3.500 3.168 2.968 3.274 . 0 0 "[ . 1 . 2]" 1
918 1 77 LEU H 1 77 LEU HG 3.400 . 3.400 2.267 2.052 2.531 . 0 0 "[ . 1 . 2]" 1
919 1 77 LEU H 1 78 ALA H 3.390 . 3.390 2.511 2.458 2.623 . 0 0 "[ . 1 . 2]" 1
920 1 77 LEU H 1 79 ALA H 5.280 . 5.280 4.122 3.964 4.499 . 0 0 "[ . 1 . 2]" 1
921 1 77 LEU HA 1 77 LEU MD2 4.100 . 4.100 4.075 3.988 4.169 0.069 20 0 "[ . 1 . 2]" 1
922 1 77 LEU HA 1 77 LEU HG 4.110 . 4.110 3.742 3.675 3.826 . 0 0 "[ . 1 . 2]" 1
923 1 77 LEU HA 1 79 ALA H 4.620 . 4.620 4.053 3.742 4.372 . 0 0 "[ . 1 . 2]" 1
924 1 77 LEU HB2 1 77 LEU MD2 3.530 . 3.530 2.620 2.579 2.696 . 0 0 "[ . 1 . 2]" 1
925 1 77 LEU HB2 1 78 ALA H 4.150 . 4.150 4.033 3.830 4.162 0.012 12 0 "[ . 1 . 2]" 1
926 1 77 LEU HB3 1 77 LEU MD2 3.540 . 3.540 2.152 2.039 2.223 . 0 0 "[ . 1 . 2]" 1
927 1 77 LEU MD2 1 78 ALA H 3.910 . 3.910 4.086 3.984 4.241 0.331 5 0 "[ . 1 . 2]" 1
928 1 77 LEU HG 1 78 ALA H 3.830 . 3.830 2.444 2.305 2.671 . 0 0 "[ . 1 . 2]" 1
929 1 77 LEU HG 1 78 ALA HA 4.430 . 4.430 4.327 4.119 4.516 0.086 7 0 "[ . 1 . 2]" 1
930 1 78 ALA H 1 78 ALA MB 2.830 . 2.830 2.256 2.232 2.303 . 0 0 "[ . 1 . 2]" 1
931 1 78 ALA H 1 79 ALA H 3.800 . 3.800 2.695 2.514 2.890 . 0 0 "[ . 1 . 2]" 1
932 1 79 ALA H 1 79 ALA MB 3.120 . 3.120 2.224 2.171 2.246 . 0 0 "[ . 1 . 2]" 1
933 1 84 TRP HA 1 84 TRP HE3 4.490 . 4.490 3.615 2.192 4.476 . 0 0 "[ . 1 . 2]" 1
934 1 84 TRP QB 1 84 TRP HE3 3.890 . 3.890 2.632 2.447 3.102 . 0 0 "[ . 1 . 2]" 1
935 1 89 PHE HA 1 89 PHE QD 3.840 . 3.840 3.002 2.334 3.771 . 0 0 "[ . 1 . 2]" 1
936 1 91 LYS H 1 91 LYS QD 4.130 . 4.130 3.235 1.915 3.994 . 0 0 "[ . 1 . 2]" 1
937 1 91 LYS H 1 91 LYS HG2 5.180 . 5.180 3.926 2.395 4.964 . 0 0 "[ . 1 . 2]" 1
938 1 91 LYS HA 1 91 LYS QD 3.830 . 3.830 2.824 1.946 3.732 . 0 0 "[ . 1 . 2]" 1
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