NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
417425 |
2dnc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dnc
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 934
_Distance_constraint_stats_list.Viol_count 2019
_Distance_constraint_stats_list.Viol_total 7219.447
_Distance_constraint_stats_list.Viol_max 1.807
_Distance_constraint_stats_list.Viol_rms 0.1100
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0193
_Distance_constraint_stats_list.Viol_average_violations_only 0.1788
_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 7 GLY 0.280 0.046 15 0 "[ . 1 . 2]"
1 8 ILE 9.700 0.630 1 7 "[+ . -* 1* ** *]"
1 9 LYS 5.009 0.504 6 1 "[ .+ 1 . 2]"
1 10 ILE 1.203 0.107 2 0 "[ . 1 . 2]"
1 11 LEU 6.469 0.504 6 1 "[ .+ 1 . 2]"
1 12 MET 52.823 1.351 16 20 [****-**********+****]
1 13 PRO 16.304 0.526 17 2 "[ . 1 -. + 2]"
1 14 SER 0.005 0.003 5 0 "[ . 1 . 2]"
1 15 LEU 20.566 0.526 17 2 "[ . 1 -. + 2]"
1 16 SER 6.654 1.065 8 6 "[* . + 1 - * ** 2]"
1 17 PRO 9.916 0.475 20 0 "[ . 1 . 2]"
1 18 THR 9.916 0.475 20 0 "[ . 1 . 2]"
1 19 MET 13.235 0.680 12 18 "[** **** ***+*******-]"
1 20 GLU 1.235 0.609 15 2 "[- . 1 + 2]"
1 21 GLU 10.188 0.624 20 7 "[ *-** *1 * +]"
1 22 GLY 14.258 1.108 10 12 "[* **- +****.** *]"
1 23 ASN 47.223 1.807 18 20 [**********-******+**]
1 24 ILE 23.765 1.365 3 15 "[**+****-** ** * **]"
1 25 VAL 0.071 0.022 14 0 "[ . 1 . 2]"
1 26 LYS 19.197 1.032 4 20 [**-+****************]
1 27 TRP 3.206 0.192 14 0 "[ . 1 . 2]"
1 28 LEU 9.176 0.377 15 0 "[ . 1 . 2]"
1 29 LYS 4.547 0.377 15 0 "[ . 1 . 2]"
1 30 LYS 3.742 0.226 8 0 "[ . 1 . 2]"
1 31 GLU 13.921 0.844 3 15 "[ +*-****1 ******* *]"
1 32 GLY 0.983 0.067 4 0 "[ . 1 . 2]"
1 33 GLU 0.023 0.013 2 0 "[ . 1 . 2]"
1 34 ALA 7.220 0.476 12 0 "[ . 1 . 2]"
1 35 VAL 6.705 0.258 14 0 "[ . 1 . 2]"
1 36 SER 7.374 0.451 9 0 "[ . 1 . 2]"
1 37 ALA 0.414 0.050 6 0 "[ . 1 . 2]"
1 38 GLY 0.396 0.050 6 0 "[ . 1 . 2]"
1 39 ASP 0.482 0.057 6 0 "[ . 1 . 2]"
1 40 ALA 0.241 0.034 19 0 "[ . 1 . 2]"
1 41 LEU 4.880 0.262 15 0 "[ . 1 . 2]"
1 42 CYS 24.689 1.032 4 20 [**-+****************]
1 43 GLU 5.726 0.328 18 0 "[ . 1 . 2]"
1 44 ILE 26.115 1.365 3 15 "[**+****-** ** * **]"
1 45 GLU 43.587 1.807 18 20 [**********-******+**]
1 46 THR 11.056 1.065 8 6 "[* . + 1 - * ** 2]"
1 47 ASP 0.018 0.006 20 0 "[ . 1 . 2]"
1 48 LYS 0.067 0.027 4 0 "[ . 1 . 2]"
1 49 ALA 0.571 0.092 9 0 "[ . 1 . 2]"
1 50 VAL 1.277 0.092 9 0 "[ . 1 . 2]"
1 51 VAL 0.759 0.159 12 0 "[ . 1 . 2]"
1 52 THR 1.768 0.098 4 0 "[ . 1 . 2]"
1 53 LEU 6.028 0.330 20 0 "[ . 1 . 2]"
1 54 ASP 2.080 0.260 8 0 "[ . 1 . 2]"
1 55 ALA 0.263 0.035 7 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 23.119 1.182 16 13 "[*** . -* *** **+ **]"
1 58 ASP 3.389 0.411 13 0 "[ . 1 . 2]"
1 59 GLY 0.079 0.010 3 0 "[ . 1 . 2]"
1 60 ILE 4.845 0.476 12 0 "[ . 1 . 2]"
1 61 LEU 2.428 0.138 15 0 "[ . 1 . 2]"
1 62 ALA 7.967 0.447 16 0 "[ . 1 . 2]"
1 63 LYS 17.771 0.844 3 18 "[ *+*-***** *********]"
1 64 ILE 2.564 0.283 13 0 "[ . 1 . 2]"
1 65 VAL 1.146 0.118 11 0 "[ . 1 . 2]"
1 66 VAL 0.142 0.019 20 0 "[ . 1 . 2]"
1 67 GLU 2.167 0.151 3 0 "[ . 1 . 2]"
1 68 GLU 2.197 0.151 3 0 "[ . 1 . 2]"
1 69 GLY 0.012 0.012 3 0 "[ . 1 . 2]"
1 70 SER 1.611 0.155 15 0 "[ . 1 . 2]"
1 71 LYS 4.004 0.523 10 2 "[ .- + . 2]"
1 72 ASN 11.533 0.624 20 8 "[ **-* ** * +]"
1 73 ILE 23.549 0.844 13 20 [**********-*+*******]
1 74 ARG 2.236 0.184 13 0 "[ . 1 . 2]"
1 75 LEU 1.142 0.307 16 0 "[ . 1 . 2]"
1 76 GLY 2.325 0.314 12 0 "[ . 1 . 2]"
1 77 SER 7.418 0.353 2 0 "[ . 1 . 2]"
1 78 LEU 0.785 0.169 10 0 "[ . 1 . 2]"
1 79 ILE 22.993 1.351 16 20 [*************-*+****]
1 80 GLY 0.323 0.046 7 0 "[ . 1 . 2]"
1 81 LEU 0.751 0.046 15 0 "[ . 1 . 2]"
1 82 ILE 11.895 1.182 16 10 "[ ** . * *-* *.+ **]"
1 83 VAL 0.898 0.177 15 0 "[ . 1 . 2]"
1 84 GLU 4.820 0.135 13 0 "[ . 1 . 2]"
1 85 GLU 3.312 0.192 12 0 "[ . 1 . 2]"
1 86 GLY 0.368 0.192 12 0 "[ . 1 . 2]"
1 87 GLU 1.648 0.339 3 0 "[ . 1 . 2]"
1 88 ASP 0.005 0.005 19 0 "[ . 1 . 2]"
1 89 TRP 14.813 0.447 16 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 VAL 0.350 0.174 9 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PRO 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 7 GLY HA2 1 8 ILE H . . 3.200 2.595 2.415 2.715 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY HA2 1 83 VAL HA . . 4.240 3.249 2.476 3.650 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY HA2 1 83 VAL MG1 . . 3.590 3.430 2.803 3.598 0.008 18 0 "[ . 1 . 2]" 1
4 1 7 GLY HA3 1 8 ILE H . . 3.190 2.649 2.528 2.852 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY HA3 1 81 LEU MD1 . . 3.910 2.453 1.941 3.956 0.046 15 0 "[ . 1 . 2]" 1
6 1 7 GLY HA3 1 81 LEU MD2 . . 3.750 3.284 1.826 3.775 0.025 20 0 "[ . 1 . 2]" 1
7 1 7 GLY HA3 1 83 VAL HA . . 4.200 3.876 3.180 4.208 0.008 15 0 "[ . 1 . 2]" 1
8 1 7 GLY HA3 1 83 VAL MG1 . . 3.660 3.081 2.493 3.317 . 0 0 "[ . 1 . 2]" 1
9 1 8 ILE H 1 8 ILE HB . . 3.330 2.416 2.319 2.531 . 0 0 "[ . 1 . 2]" 1
10 1 8 ILE H 1 8 ILE MD . . 3.990 3.261 2.951 3.481 . 0 0 "[ . 1 . 2]" 1
11 1 8 ILE H 1 8 ILE HG13 . . 4.150 2.811 2.707 2.883 . 0 0 "[ . 1 . 2]" 1
12 1 8 ILE H 1 8 ILE MG . . 3.910 3.735 3.679 3.794 . 0 0 "[ . 1 . 2]" 1
13 1 8 ILE H 1 82 ILE H . . 3.950 2.908 2.447 3.225 . 0 0 "[ . 1 . 2]" 1
14 1 8 ILE H 1 82 ILE HB . . 4.410 3.470 2.869 3.711 . 0 0 "[ . 1 . 2]" 1
15 1 8 ILE HA 1 8 ILE MD . . 3.840 3.834 3.769 3.869 0.029 15 0 "[ . 1 . 2]" 1
16 1 8 ILE HA 1 8 ILE HG13 . . 3.340 2.566 2.420 2.643 . 0 0 "[ . 1 . 2]" 1
17 1 8 ILE HA 1 8 ILE MG . . 3.070 2.442 2.375 2.527 . 0 0 "[ . 1 . 2]" 1
18 1 8 ILE HA 1 9 LYS H . . 2.640 2.187 2.176 2.203 . 0 0 "[ . 1 . 2]" 1
19 1 8 ILE HA 1 81 LEU MD2 . . 3.960 3.936 3.675 3.985 0.025 6 0 "[ . 1 . 2]" 1
20 1 8 ILE HB 1 8 ILE MD . . 3.090 2.094 1.976 2.190 . 0 0 "[ . 1 . 2]" 1
21 1 8 ILE HB 1 9 LYS H . . 4.790 4.505 4.443 4.555 . 0 0 "[ . 1 . 2]" 1
22 1 8 ILE HB 1 82 ILE H . . 3.730 3.148 2.766 3.661 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE HB 1 82 ILE HB . . 3.050 2.066 1.989 2.321 . 0 0 "[ . 1 . 2]" 1
24 1 8 ILE HB 1 82 ILE MG . . 3.990 2.463 2.045 2.917 . 0 0 "[ . 1 . 2]" 1
25 1 8 ILE MD 1 57 ASP HB3 . . 3.660 3.039 2.565 3.565 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE MD 1 83 VAL HA . . 4.210 3.952 3.576 4.218 0.008 14 0 "[ . 1 . 2]" 1
27 1 8 ILE MD 1 84 GLU H . . 4.290 3.920 3.481 4.256 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE MD 1 84 GLU HA . . 4.530 4.001 3.628 4.362 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE HG13 1 8 ILE MG . . 3.050 3.162 3.110 3.192 0.142 18 0 "[ . 1 . 2]" 1
30 1 8 ILE HG13 1 9 LYS H . . 4.910 4.744 4.603 4.811 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE MG 1 9 LYS H . . 3.380 3.159 2.994 3.257 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE MG 1 57 ASP HB3 . . 3.710 4.020 2.860 4.340 0.630 1 7 "[+ . -* 1* ** *]" 1
33 1 8 ILE MG 1 82 ILE H . . 4.400 3.691 3.461 3.931 . 0 0 "[ . 1 . 2]" 1
34 1 9 LYS H 1 9 LYS HB3 . . 3.730 2.487 2.399 2.551 . 0 0 "[ . 1 . 2]" 1
35 1 9 LYS H 1 9 LYS HG3 . . 3.420 3.433 3.235 3.545 0.125 10 0 "[ . 1 . 2]" 1
36 1 9 LYS H 1 78 LEU MD2 . . 4.470 4.320 4.200 4.508 0.038 5 0 "[ . 1 . 2]" 1
37 1 9 LYS H 1 81 LEU MD1 . . 3.890 3.878 3.722 3.903 0.013 5 0 "[ . 1 . 2]" 1
38 1 9 LYS H 1 81 LEU MD2 . . 4.650 3.245 2.900 4.153 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS HA 1 9 LYS HG3 . . 3.780 3.667 3.639 3.726 . 0 0 "[ . 1 . 2]" 1
40 1 9 LYS HA 1 10 ILE H . . 2.760 2.188 2.177 2.213 . 0 0 "[ . 1 . 2]" 1
41 1 9 LYS HA 1 11 LEU QD . . 4.320 4.045 3.772 4.247 . 0 0 "[ . 1 . 2]" 1
42 1 9 LYS HA 1 78 LEU MD2 . . 3.300 2.343 2.041 2.677 . 0 0 "[ . 1 . 2]" 1
43 1 9 LYS HA 1 81 LEU HA . . 3.600 2.527 2.303 2.754 . 0 0 "[ . 1 . 2]" 1
44 1 9 LYS HA 1 81 LEU MD1 . . 3.180 2.974 2.212 3.212 0.032 12 0 "[ . 1 . 2]" 1
45 1 9 LYS HA 1 81 LEU MD2 . . 3.670 2.256 1.762 3.687 0.017 10 0 "[ . 1 . 2]" 1
46 1 9 LYS HA 1 82 ILE H . . 4.550 3.597 3.180 4.066 . 0 0 "[ . 1 . 2]" 1
47 1 9 LYS HB3 1 11 LEU QD . . 3.740 3.942 3.708 4.244 0.504 6 1 "[ .+ 1 . 2]" 1
48 1 9 LYS HB3 1 78 LEU MD2 . . 3.710 3.201 3.068 3.279 . 0 0 "[ . 1 . 2]" 1
49 1 9 LYS HG3 1 78 LEU MD2 . . 3.970 2.921 2.850 3.097 . 0 0 "[ . 1 . 2]" 1
50 1 10 ILE H 1 10 ILE HB . . 3.470 2.427 2.378 2.512 . 0 0 "[ . 1 . 2]" 1
51 1 10 ILE H 1 10 ILE MD . . 3.700 3.251 2.896 3.675 . 0 0 "[ . 1 . 2]" 1
52 1 10 ILE H 1 10 ILE HG13 . . 3.650 2.385 2.117 2.555 . 0 0 "[ . 1 . 2]" 1
53 1 10 ILE H 1 10 ILE MG . . 4.210 3.739 3.714 3.764 . 0 0 "[ . 1 . 2]" 1
54 1 10 ILE H 1 78 LEU MD2 . . 3.310 2.148 1.959 2.902 . 0 0 "[ . 1 . 2]" 1
55 1 10 ILE H 1 80 GLY H . . 4.030 3.245 3.073 3.563 . 0 0 "[ . 1 . 2]" 1
56 1 10 ILE H 1 81 LEU HA . . 3.770 2.795 2.622 2.954 . 0 0 "[ . 1 . 2]" 1
57 1 10 ILE HA 1 10 ILE MD . . 3.800 3.858 3.806 3.907 0.107 2 0 "[ . 1 . 2]" 1
58 1 10 ILE HA 1 10 ILE HG13 . . 3.850 2.774 2.555 3.158 . 0 0 "[ . 1 . 2]" 1
59 1 10 ILE HA 1 10 ILE MG . . 2.980 2.392 2.236 2.467 . 0 0 "[ . 1 . 2]" 1
60 1 10 ILE HA 1 11 LEU H . . 2.680 2.189 2.176 2.223 . 0 0 "[ . 1 . 2]" 1
61 1 10 ILE HA 1 11 LEU HG . . 4.770 4.060 3.736 4.217 . 0 0 "[ . 1 . 2]" 1
62 1 10 ILE HB 1 10 ILE MD . . 2.870 2.140 1.954 2.437 . 0 0 "[ . 1 . 2]" 1
63 1 10 ILE HB 1 79 ILE H . . 4.490 3.329 3.124 3.751 . 0 0 "[ . 1 . 2]" 1
64 1 10 ILE HB 1 80 GLY H . . 3.490 2.402 2.166 2.762 . 0 0 "[ . 1 . 2]" 1
65 1 10 ILE HB 1 80 GLY HA3 . . 4.180 3.347 3.004 3.774 . 0 0 "[ . 1 . 2]" 1
66 1 10 ILE MD 1 27 TRP HH2 . . 3.430 3.220 2.748 3.434 0.004 10 0 "[ . 1 . 2]" 1
67 1 10 ILE MD 1 27 TRP HZ3 . . 4.460 3.729 3.225 4.139 . 0 0 "[ . 1 . 2]" 1
68 1 10 ILE MD 1 80 GLY H . . 3.760 3.469 3.075 3.762 0.002 20 0 "[ . 1 . 2]" 1
69 1 10 ILE MD 1 80 GLY HA2 . . 4.040 3.802 3.388 4.060 0.020 6 0 "[ . 1 . 2]" 1
70 1 10 ILE MD 1 80 GLY HA3 . . 3.460 2.538 2.041 2.965 . 0 0 "[ . 1 . 2]" 1
71 1 10 ILE MD 1 81 LEU H . . 4.000 3.510 3.098 3.985 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE MD 1 81 LEU HA . . 4.370 3.090 2.337 3.887 . 0 0 "[ . 1 . 2]" 1
73 1 10 ILE HG13 1 10 ILE MG . . 3.390 3.178 3.104 3.240 . 0 0 "[ . 1 . 2]" 1
74 1 10 ILE HG13 1 81 LEU HA . . 3.620 3.266 2.754 3.620 . 0 0 "[ . 1 . 2]" 1
75 1 10 ILE MG 1 11 LEU H . . 3.510 3.050 2.669 3.263 . 0 0 "[ . 1 . 2]" 1
76 1 10 ILE MG 1 79 ILE H . . 4.730 3.675 3.396 4.106 . 0 0 "[ . 1 . 2]" 1
77 1 10 ILE MG 1 80 GLY H . . 4.160 3.619 3.373 3.908 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU H 1 11 LEU HB3 . . 4.040 3.673 3.613 3.736 . 0 0 "[ . 1 . 2]" 1
79 1 11 LEU H 1 11 LEU QD . . 4.090 3.052 2.680 3.355 . 0 0 "[ . 1 . 2]" 1
80 1 11 LEU H 1 11 LEU HG . . 3.570 2.703 2.532 2.933 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU HA 1 11 LEU QD . . 2.930 1.987 1.923 2.072 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU HA 1 12 MET H . . 2.960 2.256 2.223 2.284 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU HA 1 78 LEU HA . . 3.370 2.882 2.706 3.324 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU HA 1 78 LEU MD2 . . 3.860 3.640 3.428 3.833 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU HA 1 79 ILE H . . 3.690 3.610 3.480 3.711 0.021 10 0 "[ . 1 . 2]" 1
86 1 11 LEU HA 1 79 ILE MG . . 4.310 3.892 3.503 4.300 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU HB3 1 11 LEU QD . . 3.270 2.053 2.003 2.106 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU HB3 1 12 MET H . . 3.790 3.053 2.946 3.200 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU HB3 1 76 GLY HA2 . . 4.030 2.158 1.996 2.336 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU HB3 1 76 GLY HA3 . . 3.730 3.786 3.239 4.044 0.314 12 0 "[ . 1 . 2]" 1
91 1 11 LEU QD 1 12 MET H . . 3.760 3.492 3.308 3.647 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU QD 1 76 GLY HA2 . . 4.090 2.533 2.124 3.240 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU QD 1 76 GLY HA3 . . 3.700 3.401 3.205 3.688 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU QD 1 78 LEU H . . 4.330 3.128 2.771 3.692 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU QD 1 78 LEU HA . . 3.030 2.229 2.023 2.481 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU QD 1 79 ILE H . . 4.060 3.670 3.461 3.856 . 0 0 "[ . 1 . 2]" 1
97 1 12 MET H 1 12 MET HB3 . . 3.460 2.385 2.345 2.447 . 0 0 "[ . 1 . 2]" 1
98 1 12 MET H 1 12 MET HG3 . . 4.660 4.349 4.325 4.377 . 0 0 "[ . 1 . 2]" 1
99 1 12 MET H 1 76 GLY H . . 4.540 3.500 3.211 3.988 . 0 0 "[ . 1 . 2]" 1
100 1 12 MET H 1 77 SER H . . 4.110 2.200 1.892 3.482 . 0 0 "[ . 1 . 2]" 1
101 1 12 MET H 1 79 ILE H . . 4.710 4.628 4.427 4.721 0.011 7 0 "[ . 1 . 2]" 1
102 1 12 MET H 1 79 ILE MD . . 4.690 4.505 4.248 4.677 . 0 0 "[ . 1 . 2]" 1
103 1 12 MET H 1 79 ILE MG . . 3.750 3.332 2.997 3.683 . 0 0 "[ . 1 . 2]" 1
104 1 12 MET HA 1 12 MET ME . . 3.770 3.624 3.491 3.777 0.007 13 0 "[ . 1 . 2]" 1
105 1 12 MET HA 1 13 PRO HD3 . . 2.880 2.018 1.951 2.082 . 0 0 "[ . 1 . 2]" 1
106 1 12 MET HA 1 53 LEU MD2 . . 4.430 4.439 4.430 4.452 0.022 14 0 "[ . 1 . 2]" 1
107 1 12 MET HA 1 79 ILE MD . . 3.600 3.455 3.121 3.606 0.006 8 0 "[ . 1 . 2]" 1
108 1 12 MET HA 1 79 ILE MG . . 3.940 3.633 3.164 3.938 . 0 0 "[ . 1 . 2]" 1
109 1 12 MET HB3 1 73 ILE MG . . 3.780 3.654 3.535 3.793 0.013 13 0 "[ . 1 . 2]" 1
110 1 12 MET HB3 1 75 LEU HA . . 4.210 2.216 1.984 2.889 . 0 0 "[ . 1 . 2]" 1
111 1 12 MET HB3 1 76 GLY H . . 4.390 2.659 2.370 2.750 . 0 0 "[ . 1 . 2]" 1
112 1 12 MET HB3 1 77 SER H . . 4.160 2.463 1.945 2.927 . 0 0 "[ . 1 . 2]" 1
113 1 12 MET HB3 1 79 ILE MG . . 3.130 4.261 3.962 4.481 1.351 16 20 [*************-*+****] 1
114 1 12 MET ME 1 12 MET HG3 . . 3.270 3.310 3.280 3.328 0.058 3 0 "[ . 1 . 2]" 1
115 1 12 MET ME 1 21 GLU HA . . 4.120 3.910 3.471 4.142 0.022 2 0 "[ . 1 . 2]" 1
116 1 12 MET ME 1 22 GLY H . . 3.170 2.696 2.220 3.077 . 0 0 "[ . 1 . 2]" 1
117 1 12 MET ME 1 22 GLY HA3 . . 3.160 2.338 1.977 2.803 . 0 0 "[ . 1 . 2]" 1
118 1 12 MET ME 1 23 ASN H . . 3.940 3.577 3.160 3.957 0.017 10 0 "[ . 1 . 2]" 1
119 1 12 MET ME 1 24 ILE MD . . 3.260 2.893 2.450 3.301 0.041 2 0 "[ . 1 . 2]" 1
120 1 12 MET ME 1 44 ILE MD . . 2.780 2.352 2.098 2.559 . 0 0 "[ . 1 . 2]" 1
121 1 12 MET ME 1 44 ILE MG . . 2.790 2.499 1.939 2.787 . 0 0 "[ . 1 . 2]" 1
122 1 12 MET ME 1 73 ILE H . . 3.800 3.732 3.635 3.818 0.018 18 0 "[ . 1 . 2]" 1
123 1 12 MET ME 1 73 ILE HA . . 3.940 3.957 3.895 4.012 0.072 19 0 "[ . 1 . 2]" 1
124 1 12 MET ME 1 73 ILE HB . . 3.380 1.874 1.834 1.972 . 0 0 "[ . 1 . 2]" 1
125 1 12 MET ME 1 73 ILE MD . . 3.960 3.770 3.557 3.937 . 0 0 "[ . 1 . 2]" 1
126 1 12 MET ME 1 73 ILE MG . . 3.130 1.779 1.730 1.872 . 0 0 "[ . 1 . 2]" 1
127 1 12 MET ME 1 79 ILE MD . . 3.540 3.449 3.111 3.548 0.008 16 0 "[ . 1 . 2]" 1
128 1 12 MET HG3 1 22 GLY H . . 4.800 5.398 4.645 5.908 1.108 10 12 "[* **- +****.** *]" 1
129 1 12 MET HG3 1 73 ILE MG . . 3.790 4.611 4.557 4.634 0.844 13 20 [**********-*+*******] 1
130 1 12 MET HG3 1 75 LEU HA . . 3.830 3.074 2.724 3.503 . 0 0 "[ . 1 . 2]" 1
131 1 12 MET HG3 1 75 LEU MD2 . . 4.440 2.319 1.973 2.705 . 0 0 "[ . 1 . 2]" 1
132 1 12 MET HG3 1 76 GLY H . . 4.680 4.131 3.458 4.406 . 0 0 "[ . 1 . 2]" 1
133 1 13 PRO HB3 1 14 SER H . . 3.700 3.530 3.346 3.670 . 0 0 "[ . 1 . 2]" 1
134 1 13 PRO HB3 1 15 LEU QD . . 3.820 4.210 3.998 4.346 0.526 17 2 "[ . 1 -. + 2]" 1
135 1 13 PRO HB3 1 15 LEU HG . . 4.130 4.552 4.293 4.619 0.489 6 0 "[ . 1 . 2]" 1
136 1 13 PRO HD3 1 44 ILE MD . . 4.210 4.138 3.839 4.226 0.016 20 0 "[ . 1 . 2]" 1
137 1 13 PRO HD3 1 53 LEU MD1 . . 3.800 2.255 1.987 2.728 . 0 0 "[ . 1 . 2]" 1
138 1 13 PRO HD3 1 53 LEU MD2 . . 4.150 2.842 2.799 2.923 . 0 0 "[ . 1 . 2]" 1
139 1 13 PRO HD3 1 79 ILE MD . . 4.140 3.613 3.211 3.885 . 0 0 "[ . 1 . 2]" 1
140 1 13 PRO HG3 1 15 LEU QD . . 3.780 3.548 3.504 3.601 . 0 0 "[ . 1 . 2]" 1
141 1 13 PRO HG3 1 15 LEU HG . . 4.210 4.179 4.097 4.217 0.007 13 0 "[ . 1 . 2]" 1
142 1 13 PRO HG3 1 53 LEU MD1 . . 3.810 3.090 2.812 3.463 . 0 0 "[ . 1 . 2]" 1
143 1 13 PRO HG3 1 53 LEU MD2 . . 3.490 1.914 1.803 2.052 . 0 0 "[ . 1 . 2]" 1
144 1 14 SER H 1 75 LEU MD2 . . 4.400 4.237 3.772 4.403 0.003 5 0 "[ . 1 . 2]" 1
145 1 14 SER HA 1 15 LEU H . . 2.840 2.625 2.583 2.643 . 0 0 "[ . 1 . 2]" 1
146 1 14 SER HA 1 16 SER H . . 3.980 3.645 3.132 3.949 . 0 0 "[ . 1 . 2]" 1
147 1 14 SER HA 1 19 MET ME . . 3.730 3.199 2.365 3.686 . 0 0 "[ . 1 . 2]" 1
148 1 14 SER HA 1 75 LEU MD1 . . 3.940 3.450 3.049 3.825 . 0 0 "[ . 1 . 2]" 1
149 1 14 SER HA 1 75 LEU MD2 . . 3.350 2.527 2.295 2.702 . 0 0 "[ . 1 . 2]" 1
150 1 15 LEU H 1 15 LEU HB3 . . 3.540 3.543 3.533 3.550 0.010 6 0 "[ . 1 . 2]" 1
151 1 15 LEU H 1 15 LEU QD . . 4.020 2.955 2.591 3.068 . 0 0 "[ . 1 . 2]" 1
152 1 15 LEU H 1 15 LEU HG . . 3.590 2.067 1.929 2.215 . 0 0 "[ . 1 . 2]" 1
153 1 15 LEU H 1 16 SER H . . 3.190 3.011 2.817 3.135 . 0 0 "[ . 1 . 2]" 1
154 1 15 LEU H 1 19 MET ME . . 3.710 3.250 2.528 3.678 . 0 0 "[ . 1 . 2]" 1
155 1 15 LEU HA 1 15 LEU QD . . 2.690 2.184 1.958 2.644 . 0 0 "[ . 1 . 2]" 1
156 1 15 LEU HA 1 15 LEU HG . . 3.680 2.847 2.720 2.944 . 0 0 "[ . 1 . 2]" 1
157 1 15 LEU HB3 1 15 LEU QD . . 3.170 2.132 2.036 2.174 . 0 0 "[ . 1 . 2]" 1
158 1 15 LEU HB3 1 16 SER H . . 4.570 3.559 3.368 3.981 . 0 0 "[ . 1 . 2]" 1
159 1 15 LEU HB3 1 46 THR MG . . 3.260 3.471 3.234 3.589 0.329 19 0 "[ . 1 . 2]" 1
160 1 15 LEU QD 1 19 MET ME . . 3.840 3.046 2.079 3.560 . 0 0 "[ . 1 . 2]" 1
161 1 15 LEU QD 1 46 THR MG . . 3.610 2.842 1.988 3.368 . 0 0 "[ . 1 . 2]" 1
162 1 15 LEU QD 1 51 VAL HB . . 3.970 2.758 2.401 3.188 . 0 0 "[ . 1 . 2]" 1
163 1 16 SER H 1 16 SER HB3 . . 3.880 3.129 2.111 3.774 . 0 0 "[ . 1 . 2]" 1
164 1 16 SER H 1 17 PRO HD3 . . 4.910 4.775 4.707 4.814 . 0 0 "[ . 1 . 2]" 1
165 1 16 SER H 1 19 MET H . . 4.530 4.503 3.967 4.611 0.081 20 0 "[ . 1 . 2]" 1
166 1 16 SER H 1 19 MET HB3 . . 4.130 2.891 2.689 3.943 . 0 0 "[ . 1 . 2]" 1
167 1 16 SER H 1 46 THR MG . . 4.210 3.614 3.008 4.029 . 0 0 "[ . 1 . 2]" 1
168 1 16 SER HA 1 17 PRO HD3 . . 2.690 2.062 2.000 2.206 . 0 0 "[ . 1 . 2]" 1
169 1 16 SER HB3 1 19 MET H . . 4.610 3.441 2.204 4.877 0.267 11 0 "[ . 1 . 2]" 1
170 1 16 SER HB3 1 19 MET HB3 . . 4.260 2.875 2.002 4.458 0.198 11 0 "[ . 1 . 2]" 1
171 1 16 SER HB3 1 46 THR MG . . 4.250 4.280 2.752 5.315 1.065 8 6 "[* . + 1 - * ** 2]" 1
172 1 17 PRO HB3 1 18 THR MG . . 3.680 3.834 3.456 4.074 0.394 17 0 "[ . 1 . 2]" 1
173 1 17 PRO HG3 1 18 THR MG . . 3.980 4.290 4.014 4.455 0.475 20 0 "[ . 1 . 2]" 1
174 1 18 THR H 1 18 THR MG . . 3.970 2.759 2.431 2.967 . 0 0 "[ . 1 . 2]" 1
175 1 18 THR H 1 19 MET H . . 3.690 2.862 2.204 3.108 . 0 0 "[ . 1 . 2]" 1
176 1 18 THR HA 1 18 THR MG . . 2.810 2.527 2.400 2.755 . 0 0 "[ . 1 . 2]" 1
177 1 18 THR MG 1 19 MET H . . 4.630 4.347 4.058 4.413 . 0 0 "[ . 1 . 2]" 1
178 1 19 MET H 1 19 MET HB3 . . 3.510 2.256 2.046 3.062 . 0 0 "[ . 1 . 2]" 1
179 1 19 MET H 1 19 MET HG3 . . 3.780 4.348 3.832 4.460 0.680 12 18 "[** **** ***+*******-]" 1
180 1 19 MET HA 1 19 MET HG3 . . 3.890 2.888 2.260 3.592 . 0 0 "[ . 1 . 2]" 1
181 1 19 MET HA 1 20 GLU H . . 3.270 2.256 2.202 2.387 . 0 0 "[ . 1 . 2]" 1
182 1 19 MET HA 1 21 GLU H . . 3.940 3.744 3.540 3.917 . 0 0 "[ . 1 . 2]" 1
183 1 19 MET ME 1 19 MET HG3 . . 3.160 2.798 1.975 3.127 . 0 0 "[ . 1 . 2]" 1
184 1 19 MET ME 1 21 GLU H . . 4.440 3.722 3.005 4.422 . 0 0 "[ . 1 . 2]" 1
185 1 19 MET ME 1 21 GLU HA . . 4.060 2.932 2.393 3.807 . 0 0 "[ . 1 . 2]" 1
186 1 19 MET ME 1 22 GLY H . . 4.020 3.230 2.605 3.925 . 0 0 "[ . 1 . 2]" 1
187 1 19 MET ME 1 22 GLY HA3 . . 3.310 2.600 2.131 3.295 . 0 0 "[ . 1 . 2]" 1
188 1 19 MET ME 1 75 LEU MD2 . . 2.940 1.989 1.679 2.412 . 0 0 "[ . 1 . 2]" 1
189 1 19 MET HG3 1 21 GLU H . . 3.830 2.164 1.953 3.847 0.017 8 0 "[ . 1 . 2]" 1
190 1 19 MET HG3 1 75 LEU MD1 . . 4.600 4.428 3.494 4.646 0.046 8 0 "[ . 1 . 2]" 1
191 1 19 MET HG3 1 75 LEU MD2 . . 3.690 3.320 2.025 3.997 0.307 16 0 "[ . 1 . 2]" 1
192 1 20 GLU H 1 21 GLU H . . 3.740 2.159 1.886 2.544 . 0 0 "[ . 1 . 2]" 1
193 1 20 GLU HA 1 20 GLU HG3 . . 2.940 2.432 1.987 3.549 0.609 15 2 "[- . 1 + 2]" 1
194 1 20 GLU HA 1 75 LEU MD1 . . 3.550 2.775 1.974 3.526 . 0 0 "[ . 1 . 2]" 1
195 1 20 GLU HA 1 75 LEU MD2 . . 4.020 3.917 3.701 4.038 0.018 19 0 "[ . 1 . 2]" 1
196 1 20 GLU HA 1 75 LEU HG . . 3.550 3.241 2.432 3.553 0.003 11 0 "[ . 1 . 2]" 1
197 1 20 GLU HB3 1 21 GLU H . . 4.300 3.433 3.059 3.885 . 0 0 "[ . 1 . 2]" 1
198 1 21 GLU HA 1 22 GLY H . . 3.090 2.573 2.211 2.724 . 0 0 "[ . 1 . 2]" 1
199 1 21 GLU HA 1 74 ARG HA . . 3.110 2.378 1.986 3.110 . 0 0 "[ . 1 . 2]" 1
200 1 21 GLU HA 1 75 LEU H . . 3.740 3.692 3.595 3.770 0.030 11 0 "[ . 1 . 2]" 1
201 1 21 GLU HB3 1 22 GLY H . . 3.620 3.685 3.403 4.095 0.475 8 0 "[ . 1 . 2]" 1
202 1 21 GLU HB3 1 72 ASN HA . . 3.730 4.108 3.804 4.354 0.624 20 7 "[ *-** *1 * +]" 1
203 1 21 GLU HB3 1 73 ILE H . . 4.340 4.005 3.491 4.644 0.304 2 0 "[ . 1 . 2]" 1
204 1 21 GLU HB3 1 74 ARG HA . . 3.860 2.020 1.962 2.137 . 0 0 "[ . 1 . 2]" 1
205 1 22 GLY H 1 23 ASN H . . 4.900 4.354 4.258 4.428 . 0 0 "[ . 1 . 2]" 1
206 1 22 GLY H 1 72 ASN HA . . 4.820 4.167 3.696 4.716 . 0 0 "[ . 1 . 2]" 1
207 1 22 GLY H 1 73 ILE H . . 3.690 2.226 1.893 2.803 . 0 0 "[ . 1 . 2]" 1
208 1 22 GLY H 1 73 ILE HB . . 3.510 2.538 2.131 2.909 . 0 0 "[ . 1 . 2]" 1
209 1 22 GLY H 1 73 ILE MG . . 4.360 3.814 3.551 4.136 . 0 0 "[ . 1 . 2]" 1
210 1 22 GLY H 1 74 ARG HA . . 4.620 4.018 3.641 4.632 0.012 16 0 "[ . 1 . 2]" 1
211 1 22 GLY HA3 1 23 ASN H . . 3.380 2.538 2.410 2.718 . 0 0 "[ . 1 . 2]" 1
212 1 22 GLY HA3 1 44 ILE MG . . 3.690 2.428 2.047 2.669 . 0 0 "[ . 1 . 2]" 1
213 1 23 ASN H 1 23 ASN HB3 . . 3.810 3.921 3.793 3.985 0.175 18 0 "[ . 1 . 2]" 1
214 1 23 ASN H 1 44 ILE MG . . 3.700 2.360 1.764 2.869 . 0 0 "[ . 1 . 2]" 1
215 1 23 ASN H 1 45 GLU H . . 3.760 1.995 1.882 2.159 . 0 0 "[ . 1 . 2]" 1
216 1 23 ASN H 1 45 GLU HB3 . . 4.490 3.391 2.788 4.240 . 0 0 "[ . 1 . 2]" 1
217 1 23 ASN HA 1 24 ILE H . . 2.980 2.257 2.252 2.262 . 0 0 "[ . 1 . 2]" 1
218 1 23 ASN HA 1 71 LYS HA . . 3.200 2.463 1.987 2.835 . 0 0 "[ . 1 . 2]" 1
219 1 23 ASN HA 1 72 ASN H . . 3.850 3.582 3.296 3.861 0.011 4 0 "[ . 1 . 2]" 1
220 1 23 ASN HA 1 73 ILE H . . 4.500 3.723 3.362 4.068 . 0 0 "[ . 1 . 2]" 1
221 1 23 ASN HA 1 73 ILE HB . . 4.440 3.802 3.372 4.391 . 0 0 "[ . 1 . 2]" 1
222 1 23 ASN HA 1 73 ILE MD . . 4.000 3.868 3.445 4.017 0.017 2 0 "[ . 1 . 2]" 1
223 1 23 ASN HA 1 73 ILE HG13 . . 4.520 2.819 2.298 3.294 . 0 0 "[ . 1 . 2]" 1
224 1 23 ASN HB3 1 23 ASN HD21 . . 3.530 3.329 2.900 3.562 0.032 20 0 "[ . 1 . 2]" 1
225 1 23 ASN HB3 1 23 ASN HD22 . . 3.980 4.030 3.804 4.155 0.175 5 0 "[ . 1 . 2]" 1
226 1 23 ASN HB3 1 24 ILE H . . 4.340 3.734 3.484 3.847 . 0 0 "[ . 1 . 2]" 1
227 1 23 ASN HB3 1 45 GLU H . . 4.480 4.673 4.391 5.022 0.542 10 1 "[ . + . 2]" 1
228 1 23 ASN HB3 1 45 GLU HB3 . . 4.030 4.129 3.581 4.650 0.620 16 5 "[ . 1- *.+** 2]" 1
229 1 23 ASN HB3 1 45 GLU HG3 . . 4.070 5.774 5.716 5.877 1.807 18 20 [****-************+**] 1
230 1 23 ASN HB3 1 71 LYS HA . . 4.300 2.224 1.996 2.894 . 0 0 "[ . 1 . 2]" 1
231 1 23 ASN HD21 1 45 GLU HB3 . . 4.690 2.093 1.935 2.680 . 0 0 "[ . 1 . 2]" 1
232 1 24 ILE H 1 24 ILE HB . . 3.370 2.282 2.226 2.483 . 0 0 "[ . 1 . 2]" 1
233 1 24 ILE H 1 24 ILE MD . . 3.840 2.757 2.237 3.885 0.045 6 0 "[ . 1 . 2]" 1
234 1 24 ILE H 1 24 ILE HG13 . . 3.980 2.719 2.159 2.912 . 0 0 "[ . 1 . 2]" 1
235 1 24 ILE H 1 24 ILE MG . . 4.170 3.669 3.643 3.714 . 0 0 "[ . 1 . 2]" 1
236 1 24 ILE H 1 70 SER H . . 4.920 4.283 3.749 4.745 . 0 0 "[ . 1 . 2]" 1
237 1 24 ILE H 1 71 LYS HA . . 4.220 3.871 3.063 4.232 0.012 3 0 "[ . 1 . 2]" 1
238 1 24 ILE H 1 73 ILE MD . . 4.320 3.730 3.142 4.074 . 0 0 "[ . 1 . 2]" 1
239 1 24 ILE HA 1 24 ILE MD . . 3.520 3.598 3.561 3.771 0.251 8 0 "[ . 1 . 2]" 1
240 1 24 ILE HA 1 24 ILE HG13 . . 3.320 2.520 2.212 3.412 0.092 10 0 "[ . 1 . 2]" 1
241 1 24 ILE HA 1 24 ILE MG . . 3.060 2.549 2.430 2.598 . 0 0 "[ . 1 . 2]" 1
242 1 24 ILE HA 1 25 VAL H . . 2.860 2.192 2.176 2.220 . 0 0 "[ . 1 . 2]" 1
243 1 24 ILE HA 1 25 VAL MG2 . . 4.040 3.632 3.537 3.719 . 0 0 "[ . 1 . 2]" 1
244 1 24 ILE HA 1 26 LYS H . . 4.240 4.194 4.009 4.270 0.030 2 0 "[ . 1 . 2]" 1
245 1 24 ILE HA 1 44 ILE HA . . 3.320 2.673 2.396 2.845 . 0 0 "[ . 1 . 2]" 1
246 1 24 ILE HA 1 44 ILE MD . . 4.020 3.388 2.723 4.080 0.060 18 0 "[ . 1 . 2]" 1
247 1 24 ILE HA 1 44 ILE HG13 . . 4.360 5.238 3.664 5.725 1.365 3 15 "[**+****-** ** * **]" 1
248 1 24 ILE HA 1 44 ILE MG . . 4.220 4.015 3.499 4.228 0.008 13 0 "[ . 1 . 2]" 1
249 1 24 ILE HA 1 45 GLU H . . 4.170 3.837 3.667 4.099 . 0 0 "[ . 1 . 2]" 1
250 1 24 ILE HB 1 24 ILE MD . . 3.290 2.221 1.981 2.625 . 0 0 "[ . 1 . 2]" 1
251 1 24 ILE HB 1 66 VAL MG1 . . 4.420 3.402 3.044 3.810 . 0 0 "[ . 1 . 2]" 1
252 1 24 ILE HB 1 68 GLU HA . . 3.500 3.028 2.693 3.264 . 0 0 "[ . 1 . 2]" 1
253 1 24 ILE HB 1 69 GLY H . . 4.170 3.920 3.521 4.169 . 0 0 "[ . 1 . 2]" 1
254 1 24 ILE HB 1 70 SER H . . 4.040 3.431 2.955 3.875 . 0 0 "[ . 1 . 2]" 1
255 1 24 ILE HB 1 70 SER HB3 . . 4.340 4.187 3.351 4.495 0.155 15 0 "[ . 1 . 2]" 1
256 1 24 ILE MD 1 24 ILE MG . . 2.790 2.529 1.804 2.840 0.050 19 0 "[ . 1 . 2]" 1
257 1 24 ILE MD 1 27 TRP HE1 . . 3.590 3.098 2.296 3.581 . 0 0 "[ . 1 . 2]" 1
258 1 24 ILE MD 1 27 TRP HZ2 . . 3.560 3.314 2.676 3.574 0.014 7 0 "[ . 1 . 2]" 1
259 1 24 ILE MD 1 66 VAL HB . . 3.310 2.857 2.468 3.153 . 0 0 "[ . 1 . 2]" 1
260 1 24 ILE MD 1 66 VAL MG1 . . 3.090 2.225 1.792 2.982 . 0 0 "[ . 1 . 2]" 1
261 1 24 ILE MD 1 79 ILE HA . . 4.320 4.150 3.869 4.330 0.010 1 0 "[ . 1 . 2]" 1
262 1 24 ILE MD 1 79 ILE HB . . 3.450 2.686 2.276 3.109 . 0 0 "[ . 1 . 2]" 1
263 1 24 ILE HG13 1 24 ILE MG . . 3.290 3.042 2.955 3.240 . 0 0 "[ . 1 . 2]" 1
264 1 24 ILE MG 1 25 VAL H . . 3.340 3.219 3.055 3.362 0.022 14 0 "[ . 1 . 2]" 1
265 1 24 ILE MG 1 26 LYS H . . 3.430 3.145 3.005 3.304 . 0 0 "[ . 1 . 2]" 1
266 1 24 ILE MG 1 27 TRP H . . 4.830 3.930 3.667 4.207 . 0 0 "[ . 1 . 2]" 1
267 1 24 ILE MG 1 27 TRP HD1 . . 3.530 2.740 2.544 2.937 . 0 0 "[ . 1 . 2]" 1
268 1 24 ILE MG 1 27 TRP HE1 . . 3.390 2.307 2.136 2.596 . 0 0 "[ . 1 . 2]" 1
269 1 24 ILE MG 1 27 TRP HZ2 . . 4.150 3.955 3.786 4.160 0.010 2 0 "[ . 1 . 2]" 1
270 1 24 ILE MG 1 42 CYS HB3 . . 3.570 3.344 3.126 3.713 0.143 16 0 "[ . 1 . 2]" 1
271 1 24 ILE MG 1 68 GLU HA . . 3.070 1.999 1.848 2.544 . 0 0 "[ . 1 . 2]" 1
272 1 24 ILE MG 1 68 GLU HB3 . . 4.380 2.735 2.503 2.999 . 0 0 "[ . 1 . 2]" 1
273 1 24 ILE MG 1 69 GLY H . . 3.860 3.234 2.905 3.836 . 0 0 "[ . 1 . 2]" 1
274 1 25 VAL H 1 25 VAL HB . . 3.340 2.504 2.429 2.564 . 0 0 "[ . 1 . 2]" 1
275 1 25 VAL H 1 25 VAL MG1 . . 4.100 3.708 3.696 3.721 . 0 0 "[ . 1 . 2]" 1
276 1 25 VAL H 1 25 VAL MG2 . . 3.110 2.102 1.915 2.267 . 0 0 "[ . 1 . 2]" 1
277 1 25 VAL H 1 26 LYS H . . 3.340 2.775 2.563 2.938 . 0 0 "[ . 1 . 2]" 1
278 1 25 VAL H 1 44 ILE HA . . 3.790 3.260 2.598 3.660 . 0 0 "[ . 1 . 2]" 1
279 1 25 VAL H 1 45 GLU H . . 4.450 4.052 3.836 4.423 . 0 0 "[ . 1 . 2]" 1
280 1 25 VAL HA 1 25 VAL MG1 . . 2.740 2.307 2.224 2.418 . 0 0 "[ . 1 . 2]" 1
281 1 25 VAL HA 1 25 VAL MG2 . . 3.140 2.403 2.328 2.482 . 0 0 "[ . 1 . 2]" 1
282 1 25 VAL HB 1 26 LYS H . . 3.240 2.240 2.144 2.421 . 0 0 "[ . 1 . 2]" 1
283 1 25 VAL HB 1 43 GLU HB3 . . 3.580 2.854 2.421 3.045 . 0 0 "[ . 1 . 2]" 1
284 1 25 VAL MG1 1 26 LYS H . . 3.640 3.330 3.182 3.560 . 0 0 "[ . 1 . 2]" 1
285 1 25 VAL MG2 1 26 LYS H . . 3.810 3.646 3.584 3.703 . 0 0 "[ . 1 . 2]" 1
286 1 25 VAL MG2 1 43 GLU HB3 . . 3.790 2.656 2.134 2.867 . 0 0 "[ . 1 . 2]" 1
287 1 25 VAL MG2 1 45 GLU H . . 3.610 3.339 3.035 3.620 0.010 4 0 "[ . 1 . 2]" 1
288 1 25 VAL MG2 1 45 GLU HA . . 3.630 3.441 3.318 3.641 0.011 2 0 "[ . 1 . 2]" 1
289 1 25 VAL MG2 1 45 GLU HG3 . . 3.460 2.399 2.353 2.487 . 0 0 "[ . 1 . 2]" 1
290 1 26 LYS H 1 27 TRP H . . 4.990 4.311 4.239 4.367 . 0 0 "[ . 1 . 2]" 1
291 1 26 LYS H 1 42 CYS HA . . 4.670 4.675 4.630 4.708 0.038 18 0 "[ . 1 . 2]" 1
292 1 26 LYS H 1 42 CYS HB3 . . 4.340 5.266 5.103 5.372 1.032 4 20 [**-+****************] 1
293 1 26 LYS H 1 43 GLU H . . 3.090 2.608 2.505 2.696 . 0 0 "[ . 1 . 2]" 1
294 1 26 LYS H 1 43 GLU HB3 . . 4.260 4.069 3.742 4.215 . 0 0 "[ . 1 . 2]" 1
295 1 26 LYS HA 1 26 LYS HG3 . . 3.740 2.370 2.336 2.423 . 0 0 "[ . 1 . 2]" 1
296 1 26 LYS HA 1 27 TRP H . . 2.720 2.328 2.240 2.427 . 0 0 "[ . 1 . 2]" 1
297 1 26 LYS HA 1 68 GLU HB3 . . 3.600 2.039 1.990 2.314 . 0 0 "[ . 1 . 2]" 1
298 1 26 LYS HA 1 68 GLU HG3 . . 4.180 4.031 2.975 4.222 0.042 16 0 "[ . 1 . 2]" 1
299 1 26 LYS HG3 1 27 TRP H . . 4.160 2.137 1.942 2.512 . 0 0 "[ . 1 . 2]" 1
300 1 27 TRP H 1 27 TRP HB3 . . 3.330 3.482 3.440 3.522 0.192 14 0 "[ . 1 . 2]" 1
301 1 27 TRP H 1 27 TRP HD1 . . 4.330 3.082 2.964 3.261 . 0 0 "[ . 1 . 2]" 1
302 1 27 TRP H 1 68 GLU HB3 . . 4.220 2.328 2.079 2.694 . 0 0 "[ . 1 . 2]" 1
303 1 27 TRP H 1 68 GLU HG3 . . 4.580 4.323 3.464 4.588 0.008 6 0 "[ . 1 . 2]" 1
304 1 27 TRP HA 1 27 TRP HE3 . . 4.430 3.335 3.181 3.469 . 0 0 "[ . 1 . 2]" 1
305 1 27 TRP HA 1 28 LEU H . . 2.870 2.215 2.207 2.240 . 0 0 "[ . 1 . 2]" 1
306 1 27 TRP HA 1 28 LEU HG . . 4.260 4.009 3.882 4.132 . 0 0 "[ . 1 . 2]" 1
307 1 27 TRP HA 1 29 LYS H . . 4.020 3.447 3.366 3.545 . 0 0 "[ . 1 . 2]" 1
308 1 27 TRP HA 1 42 CYS HA . . 3.140 2.636 2.512 2.852 . 0 0 "[ . 1 . 2]" 1
309 1 27 TRP HA 1 42 CYS HB3 . . 3.620 2.052 1.993 2.205 . 0 0 "[ . 1 . 2]" 1
310 1 27 TRP HA 1 43 GLU H . . 4.360 3.780 3.639 3.933 . 0 0 "[ . 1 . 2]" 1
311 1 27 TRP HB3 1 28 LEU H . . 4.580 3.490 3.302 3.603 . 0 0 "[ . 1 . 2]" 1
312 1 27 TRP HB3 1 29 LYS H . . 4.450 2.601 2.418 2.821 . 0 0 "[ . 1 . 2]" 1
313 1 27 TRP HB3 1 64 ILE MD . . 3.830 2.984 2.741 3.157 . 0 0 "[ . 1 . 2]" 1
314 1 27 TRP HD1 1 64 ILE MD . . 4.210 3.992 3.721 4.172 . 0 0 "[ . 1 . 2]" 1
315 1 27 TRP HD1 1 64 ILE MG . . 3.790 3.531 3.242 3.693 . 0 0 "[ . 1 . 2]" 1
316 1 27 TRP HD1 1 67 GLU HA . . 3.830 3.160 2.918 3.381 . 0 0 "[ . 1 . 2]" 1
317 1 27 TRP HD1 1 68 GLU H . . 3.560 2.137 1.951 2.448 . 0 0 "[ . 1 . 2]" 1
318 1 27 TRP HD1 1 68 GLU HA . . 3.710 2.905 2.703 3.219 . 0 0 "[ . 1 . 2]" 1
319 1 27 TRP HD1 1 68 GLU HB3 . . 3.780 2.059 1.989 2.172 . 0 0 "[ . 1 . 2]" 1
320 1 27 TRP HD1 1 68 GLU HG3 . . 4.230 3.822 3.321 4.153 . 0 0 "[ . 1 . 2]" 1
321 1 27 TRP HE1 1 64 ILE MG . . 3.140 2.688 2.519 2.805 . 0 0 "[ . 1 . 2]" 1
322 1 27 TRP HE1 1 67 GLU HA . . 3.560 2.323 1.997 2.773 . 0 0 "[ . 1 . 2]" 1
323 1 27 TRP HE1 1 68 GLU H . . 4.510 3.428 3.149 3.670 . 0 0 "[ . 1 . 2]" 1
324 1 27 TRP HE3 1 28 LEU H . . 4.700 3.651 3.254 3.852 . 0 0 "[ . 1 . 2]" 1
325 1 27 TRP HE3 1 41 LEU HB3 . . 4.700 3.824 3.698 3.946 . 0 0 "[ . 1 . 2]" 1
326 1 27 TRP HE3 1 41 LEU MD2 . . 4.430 3.725 3.378 3.994 . 0 0 "[ . 1 . 2]" 1
327 1 27 TRP HE3 1 61 LEU MD1 . . 3.880 2.801 2.533 3.025 . 0 0 "[ . 1 . 2]" 1
328 1 27 TRP HE3 1 61 LEU MD2 . . 4.680 4.281 4.025 4.600 . 0 0 "[ . 1 . 2]" 1
329 1 27 TRP HE3 1 64 ILE MD . . 4.230 3.055 2.724 3.330 . 0 0 "[ . 1 . 2]" 1
330 1 27 TRP HH2 1 61 LEU MD2 . . 4.490 3.611 3.250 3.882 . 0 0 "[ . 1 . 2]" 1
331 1 27 TRP HH2 1 79 ILE HB . . 5.190 3.651 3.145 4.324 . 0 0 "[ . 1 . 2]" 1
332 1 27 TRP HH2 1 79 ILE MD . . 3.670 2.751 2.371 3.125 . 0 0 "[ . 1 . 2]" 1
333 1 27 TRP HH2 1 80 GLY HA2 . . 5.180 4.214 3.867 4.937 . 0 0 "[ . 1 . 2]" 1
334 1 27 TRP HH2 1 80 GLY HA3 . . 3.770 2.793 2.556 3.403 . 0 0 "[ . 1 . 2]" 1
335 1 27 TRP HZ2 1 64 ILE MD . . 4.750 4.470 4.286 4.666 . 0 0 "[ . 1 . 2]" 1
336 1 27 TRP HZ2 1 64 ILE MG . . 3.680 2.460 2.259 2.756 . 0 0 "[ . 1 . 2]" 1
337 1 27 TRP HZ2 1 65 VAL H . . 5.110 5.058 4.777 5.122 0.012 3 0 "[ . 1 . 2]" 1
338 1 27 TRP HZ2 1 79 ILE HB . . 3.500 2.361 1.997 2.561 . 0 0 "[ . 1 . 2]" 1
339 1 27 TRP HZ2 1 79 ILE MD . . 3.720 3.024 2.588 3.576 . 0 0 "[ . 1 . 2]" 1
340 1 27 TRP HZ2 1 79 ILE MG . . 4.130 3.985 3.698 4.139 0.009 12 0 "[ . 1 . 2]" 1
341 1 27 TRP HZ3 1 41 LEU HB3 . . 4.190 3.008 2.705 3.131 . 0 0 "[ . 1 . 2]" 1
342 1 27 TRP HZ3 1 41 LEU MD1 . . 4.330 3.625 3.353 4.024 . 0 0 "[ . 1 . 2]" 1
343 1 27 TRP HZ3 1 41 LEU MD2 . . 3.750 3.124 2.720 3.569 . 0 0 "[ . 1 . 2]" 1
344 1 27 TRP HZ3 1 61 LEU MD1 . . 3.860 2.652 2.209 3.002 . 0 0 "[ . 1 . 2]" 1
345 1 27 TRP HZ3 1 61 LEU MD2 . . 3.550 3.046 2.647 3.363 . 0 0 "[ . 1 . 2]" 1
346 1 28 LEU H 1 28 LEU HB3 . . 3.610 3.566 3.547 3.598 . 0 0 "[ . 1 . 2]" 1
347 1 28 LEU H 1 28 LEU MD1 . . 4.080 3.883 3.742 3.974 . 0 0 "[ . 1 . 2]" 1
348 1 28 LEU H 1 28 LEU MD2 . . 3.900 3.187 3.056 3.396 . 0 0 "[ . 1 . 2]" 1
349 1 28 LEU H 1 28 LEU HG . . 3.470 2.537 2.401 2.675 . 0 0 "[ . 1 . 2]" 1
350 1 28 LEU H 1 29 LYS H . . 3.150 2.398 2.293 2.489 . 0 0 "[ . 1 . 2]" 1
351 1 28 LEU H 1 42 CYS HA . . 3.500 1.994 1.943 2.204 . 0 0 "[ . 1 . 2]" 1
352 1 28 LEU H 1 42 CYS HB3 . . 4.630 2.902 2.694 3.034 . 0 0 "[ . 1 . 2]" 1
353 1 28 LEU HA 1 28 LEU MD1 . . 4.090 3.775 3.726 3.847 . 0 0 "[ . 1 . 2]" 1
354 1 28 LEU HA 1 28 LEU MD2 . . 2.890 1.964 1.923 2.033 . 0 0 "[ . 1 . 2]" 1
355 1 28 LEU HA 1 28 LEU HG . . 3.710 3.248 3.155 3.304 . 0 0 "[ . 1 . 2]" 1
356 1 28 LEU HB3 1 28 LEU MD1 . . 3.120 2.248 2.134 2.371 . 0 0 "[ . 1 . 2]" 1
357 1 28 LEU HB3 1 29 LYS H . . 4.040 4.262 4.087 4.417 0.377 15 0 "[ . 1 . 2]" 1
358 1 28 LEU HB3 1 41 LEU HA . . 4.320 4.551 4.467 4.582 0.262 15 0 "[ . 1 . 2]" 1
359 1 28 LEU MD1 1 40 ALA MB . . 2.790 1.776 1.716 1.852 . 0 0 "[ . 1 . 2]" 1
360 1 28 LEU MD1 1 41 LEU H . . 4.480 3.923 3.451 4.263 . 0 0 "[ . 1 . 2]" 1
361 1 28 LEU MD1 1 41 LEU HA . . 4.640 4.377 4.103 4.593 . 0 0 "[ . 1 . 2]" 1
362 1 28 LEU MD1 1 42 CYS H . . 4.160 3.934 3.538 4.158 . 0 0 "[ . 1 . 2]" 1
363 1 28 LEU MD1 1 42 CYS HA . . 3.770 3.462 3.164 3.622 . 0 0 "[ . 1 . 2]" 1
364 1 28 LEU MD1 1 43 GLU H . . 4.520 4.412 4.092 4.535 0.015 18 0 "[ . 1 . 2]" 1
365 1 28 LEU MD1 1 43 GLU HG3 . . 3.340 3.014 2.456 3.345 0.005 3 0 "[ . 1 . 2]" 1
366 1 28 LEU MD2 1 29 LYS H . . 4.570 4.530 4.451 4.597 0.027 15 0 "[ . 1 . 2]" 1
367 1 28 LEU MD2 1 42 CYS HA . . 4.430 3.505 3.380 3.747 . 0 0 "[ . 1 . 2]" 1
368 1 28 LEU MD2 1 43 GLU H . . 4.170 4.085 3.810 4.174 0.004 15 0 "[ . 1 . 2]" 1
369 1 28 LEU MD2 1 43 GLU HG3 . . 3.780 2.561 2.244 2.966 . 0 0 "[ . 1 . 2]" 1
370 1 28 LEU HG 1 42 CYS HA . . 3.600 2.086 1.992 2.366 . 0 0 "[ . 1 . 2]" 1
371 1 28 LEU HG 1 43 GLU H . . 4.390 3.547 3.352 3.698 . 0 0 "[ . 1 . 2]" 1
372 1 28 LEU HG 1 43 GLU HG3 . . 4.260 3.097 2.697 3.495 . 0 0 "[ . 1 . 2]" 1
373 1 29 LYS H 1 30 LYS H . . 4.750 4.465 4.431 4.503 . 0 0 "[ . 1 . 2]" 1
374 1 29 LYS HA 1 29 LYS HD3 . . 3.410 3.111 2.825 3.353 . 0 0 "[ . 1 . 2]" 1
375 1 29 LYS HA 1 29 LYS HG3 . . 4.260 3.607 3.494 3.671 . 0 0 "[ . 1 . 2]" 1
376 1 29 LYS HA 1 30 LYS H . . 3.120 2.437 2.358 2.558 . 0 0 "[ . 1 . 2]" 1
377 1 29 LYS HD3 1 30 LYS H . . 4.480 4.087 3.894 4.317 . 0 0 "[ . 1 . 2]" 1
378 1 29 LYS HE3 1 29 LYS HG3 . . 4.090 2.884 2.485 3.629 . 0 0 "[ . 1 . 2]" 1
379 1 29 LYS HE3 1 35 VAL HA . . 3.730 2.380 1.999 2.824 . 0 0 "[ . 1 . 2]" 1
380 1 29 LYS HE3 1 35 VAL MG1 . . 3.820 2.432 2.031 3.402 . 0 0 "[ . 1 . 2]" 1
381 1 29 LYS HE3 1 35 VAL MG2 . . 3.830 2.726 2.254 3.358 . 0 0 "[ . 1 . 2]" 1
382 1 29 LYS HE3 1 39 ASP HB3 . . 3.810 3.657 3.434 3.832 0.022 15 0 "[ . 1 . 2]" 1
383 1 29 LYS HG3 1 41 LEU HA . . 4.100 2.147 1.994 2.445 . 0 0 "[ . 1 . 2]" 1
384 1 29 LYS HG3 1 61 LEU MD1 . . 4.160 3.700 3.441 4.042 . 0 0 "[ . 1 . 2]" 1
385 1 30 LYS H 1 30 LYS HB3 . . 3.510 3.697 3.648 3.736 0.226 8 0 "[ . 1 . 2]" 1
386 1 30 LYS H 1 33 GLU HB3 . . 3.970 3.475 3.315 3.687 . 0 0 "[ . 1 . 2]" 1
387 1 30 LYS HA 1 31 GLU H . . 2.900 2.494 2.417 2.607 . 0 0 "[ . 1 . 2]" 1
388 1 30 LYS HA 1 61 LEU MD1 . . 4.130 3.432 3.198 3.675 . 0 0 "[ . 1 . 2]" 1
389 1 30 LYS HA 1 64 ILE MD . . 3.360 2.880 2.667 3.033 . 0 0 "[ . 1 . 2]" 1
390 1 30 LYS HB3 1 31 GLU H . . 3.970 2.451 2.226 2.618 . 0 0 "[ . 1 . 2]" 1
391 1 31 GLU H 1 31 GLU HG3 . . 3.850 2.589 2.310 2.984 . 0 0 "[ . 1 . 2]" 1
392 1 31 GLU H 1 64 ILE MD . . 3.540 3.199 3.005 3.469 . 0 0 "[ . 1 . 2]" 1
393 1 31 GLU HA 1 31 GLU HG3 . . 3.660 2.762 2.455 2.917 . 0 0 "[ . 1 . 2]" 1
394 1 31 GLU HA 1 32 GLY H . . 2.730 2.209 2.201 2.226 . 0 0 "[ . 1 . 2]" 1
395 1 31 GLU HA 1 32 GLY HA2 . . 4.370 4.413 4.379 4.437 0.067 4 0 "[ . 1 . 2]" 1
396 1 31 GLU HA 1 33 GLU H . . 3.970 3.457 3.273 3.885 . 0 0 "[ . 1 . 2]" 1
397 1 31 GLU HA 1 61 LEU MD1 . . 3.880 3.014 2.755 3.278 . 0 0 "[ . 1 . 2]" 1
398 1 31 GLU HA 1 64 ILE MD . . 4.490 3.487 3.290 3.617 . 0 0 "[ . 1 . 2]" 1
399 1 31 GLU HG3 1 63 LYS HA . . 3.250 3.826 3.411 4.094 0.844 3 15 "[ +*-****1 ******* *]" 1
400 1 31 GLU HG3 1 64 ILE H . . 3.810 3.608 2.552 4.093 0.283 13 0 "[ . 1 . 2]" 1
401 1 31 GLU HG3 1 64 ILE HB . . 4.460 2.984 2.613 3.255 . 0 0 "[ . 1 . 2]" 1
402 1 31 GLU HG3 1 64 ILE MD . . 3.930 2.065 1.908 2.481 . 0 0 "[ . 1 . 2]" 1
403 1 31 GLU HG3 1 64 ILE HG13 . . 5.010 2.686 2.160 3.132 . 0 0 "[ . 1 . 2]" 1
404 1 32 GLY H 1 33 GLU H . . 3.490 2.505 2.284 2.837 . 0 0 "[ . 1 . 2]" 1
405 1 32 GLY H 1 60 ILE MG . . 3.670 3.348 3.161 3.489 . 0 0 "[ . 1 . 2]" 1
406 1 32 GLY HA2 1 60 ILE MG . . 3.410 2.647 2.607 2.675 . 0 0 "[ . 1 . 2]" 1
407 1 32 GLY HA3 1 60 ILE MG . . 3.880 3.882 3.808 3.895 0.015 14 0 "[ . 1 . 2]" 1
408 1 33 GLU H 1 33 GLU HB3 . . 3.630 3.474 3.444 3.525 . 0 0 "[ . 1 . 2]" 1
409 1 33 GLU H 1 60 ILE MG . . 4.140 3.931 3.673 4.153 0.013 2 0 "[ . 1 . 2]" 1
410 1 33 GLU HA 1 34 ALA H . . 2.710 2.455 2.363 2.612 . 0 0 "[ . 1 . 2]" 1
411 1 33 GLU HA 1 34 ALA MB . . 4.140 3.956 3.942 3.969 . 0 0 "[ . 1 . 2]" 1
412 1 33 GLU HB3 1 34 ALA H . . 3.650 2.626 2.252 2.871 . 0 0 "[ . 1 . 2]" 1
413 1 33 GLU HB3 1 34 ALA MB . . 4.620 4.191 4.025 4.257 . 0 0 "[ . 1 . 2]" 1
414 1 34 ALA H 1 34 ALA MB . . 2.750 2.004 1.951 2.088 . 0 0 "[ . 1 . 2]" 1
415 1 34 ALA H 1 35 VAL H . . 4.850 4.603 4.574 4.637 . 0 0 "[ . 1 . 2]" 1
416 1 34 ALA HA 1 35 VAL H . . 2.740 2.488 2.463 2.528 . 0 0 "[ . 1 . 2]" 1
417 1 34 ALA HA 1 60 ILE MD . . 3.200 1.931 1.835 2.050 . 0 0 "[ . 1 . 2]" 1
418 1 34 ALA HA 1 60 ILE HG13 . . 4.140 4.206 3.939 4.616 0.476 12 0 "[ . 1 . 2]" 1
419 1 34 ALA HA 1 60 ILE MG . . 3.560 3.531 3.478 3.567 0.007 15 0 "[ . 1 . 2]" 1
420 1 34 ALA HA 1 61 LEU H . . 4.070 3.389 3.186 3.589 . 0 0 "[ . 1 . 2]" 1
421 1 34 ALA MB 1 35 VAL H . . 3.240 2.581 2.513 2.624 . 0 0 "[ . 1 . 2]" 1
422 1 34 ALA MB 1 35 VAL HA . . 3.600 3.853 3.846 3.858 0.258 14 0 "[ . 1 . 2]" 1
423 1 34 ALA MB 1 60 ILE HA . . 4.270 3.723 3.580 3.914 . 0 0 "[ . 1 . 2]" 1
424 1 35 VAL H 1 35 VAL HB . . 3.580 2.808 2.775 2.854 . 0 0 "[ . 1 . 2]" 1
425 1 35 VAL H 1 35 VAL MG1 . . 3.840 3.910 3.883 3.940 0.100 10 0 "[ . 1 . 2]" 1
426 1 35 VAL H 1 35 VAL MG2 . . 3.370 2.930 2.825 3.018 . 0 0 "[ . 1 . 2]" 1
427 1 35 VAL H 1 59 GLY H . . 3.940 2.818 2.533 3.012 . 0 0 "[ . 1 . 2]" 1
428 1 35 VAL H 1 60 ILE HA . . 3.600 3.388 3.279 3.606 0.006 12 0 "[ . 1 . 2]" 1
429 1 35 VAL H 1 60 ILE MD . . 4.240 3.901 3.754 4.146 . 0 0 "[ . 1 . 2]" 1
430 1 35 VAL H 1 61 LEU H . . 4.740 4.736 4.696 4.761 0.021 2 0 "[ . 1 . 2]" 1
431 1 35 VAL HA 1 35 VAL MG1 . . 3.230 2.387 2.276 2.447 . 0 0 "[ . 1 . 2]" 1
432 1 35 VAL HA 1 35 VAL MG2 . . 3.450 2.376 2.314 2.440 . 0 0 "[ . 1 . 2]" 1
433 1 35 VAL HA 1 36 SER H . . 2.790 2.290 2.243 2.328 . 0 0 "[ . 1 . 2]" 1
434 1 35 VAL HA 1 41 LEU MD2 . . 4.030 3.698 3.406 3.924 . 0 0 "[ . 1 . 2]" 1
435 1 35 VAL HB 1 36 SER H . . 4.030 3.974 3.865 4.043 0.013 20 0 "[ . 1 . 2]" 1
436 1 35 VAL HB 1 41 LEU MD2 . . 4.360 3.781 3.583 4.090 . 0 0 "[ . 1 . 2]" 1
437 1 35 VAL HB 1 55 ALA MB . . 3.970 3.959 3.904 3.981 0.011 15 0 "[ . 1 . 2]" 1
438 1 35 VAL HB 1 59 GLY H . . 3.910 2.303 2.164 2.442 . 0 0 "[ . 1 . 2]" 1
439 1 35 VAL MG1 1 36 SER H . . 3.510 2.266 2.056 2.519 . 0 0 "[ . 1 . 2]" 1
440 1 35 VAL MG1 1 39 ASP HB3 . . 4.470 4.205 3.837 4.473 0.003 12 0 "[ . 1 . 2]" 1
441 1 35 VAL MG1 1 55 ALA MB . . 2.740 1.924 1.801 2.128 . 0 0 "[ . 1 . 2]" 1
442 1 35 VAL MG1 1 59 GLY H . . 4.030 3.485 3.327 3.644 . 0 0 "[ . 1 . 2]" 1
443 1 35 VAL MG2 1 36 SER H . . 4.130 4.026 3.956 4.131 0.001 9 0 "[ . 1 . 2]" 1
444 1 35 VAL MG2 1 59 GLY H . . 3.810 3.801 3.713 3.820 0.010 3 0 "[ . 1 . 2]" 1
445 1 35 VAL MG2 1 60 ILE HA . . 3.810 2.955 2.569 3.412 . 0 0 "[ . 1 . 2]" 1
446 1 35 VAL MG2 1 61 LEU H . . 3.560 2.621 2.379 2.852 . 0 0 "[ . 1 . 2]" 1
447 1 36 SER H 1 36 SER HB3 . . 3.400 3.650 2.475 3.851 0.451 9 0 "[ . 1 . 2]" 1
448 1 36 SER H 1 39 ASP HB3 . . 4.160 3.751 3.528 3.938 . 0 0 "[ . 1 . 2]" 1
449 1 36 SER HA 1 37 ALA H . . 2.850 2.301 2.224 2.481 . 0 0 "[ . 1 . 2]" 1
450 1 36 SER HA 1 37 ALA HA . . 4.790 4.334 4.314 4.362 . 0 0 "[ . 1 . 2]" 1
451 1 36 SER HA 1 37 ALA MB . . 4.120 3.963 3.933 4.051 . 0 0 "[ . 1 . 2]" 1
452 1 36 SER HA 1 58 ASP HA . . 3.100 2.414 2.196 2.607 . 0 0 "[ . 1 . 2]" 1
453 1 36 SER HA 1 58 ASP HB3 . . 4.670 2.388 2.095 2.780 . 0 0 "[ . 1 . 2]" 1
454 1 36 SER HA 1 59 GLY H . . 4.110 3.927 3.733 4.110 0.000 12 0 "[ . 1 . 2]" 1
455 1 36 SER HB3 1 37 ALA H . . 4.020 3.277 2.978 4.014 . 0 0 "[ . 1 . 2]" 1
456 1 37 ALA H 1 37 ALA MB . . 2.790 1.974 1.944 2.014 . 0 0 "[ . 1 . 2]" 1
457 1 37 ALA H 1 58 ASP HA . . 3.670 3.216 2.899 3.656 . 0 0 "[ . 1 . 2]" 1
458 1 37 ALA H 1 58 ASP HB3 . . 5.090 3.111 2.467 4.027 . 0 0 "[ . 1 . 2]" 1
459 1 37 ALA HA 1 38 GLY H . . 2.620 2.220 2.207 2.269 . 0 0 "[ . 1 . 2]" 1
460 1 37 ALA HA 1 39 ASP H . . 3.850 3.631 3.373 3.771 . 0 0 "[ . 1 . 2]" 1
461 1 37 ALA HA 1 55 ALA MB . . 3.300 2.222 1.971 2.473 . 0 0 "[ . 1 . 2]" 1
462 1 37 ALA HA 1 56 SER HA . . 4.110 3.849 3.544 4.054 . 0 0 "[ . 1 . 2]" 1
463 1 37 ALA HA 1 57 ASP H . . 4.220 3.656 3.101 4.030 . 0 0 "[ . 1 . 2]" 1
464 1 37 ALA HA 1 57 ASP HA . . 4.650 4.097 3.855 4.353 . 0 0 "[ . 1 . 2]" 1
465 1 37 ALA MB 1 38 GLY H . . 3.180 3.157 3.015 3.201 0.021 8 0 "[ . 1 . 2]" 1
466 1 37 ALA MB 1 38 GLY HA2 . . 4.400 4.407 4.376 4.450 0.050 6 0 "[ . 1 . 2]" 1
467 1 37 ALA MB 1 56 SER HA . . 3.630 3.358 2.914 3.575 . 0 0 "[ . 1 . 2]" 1
468 1 37 ALA MB 1 57 ASP H . . 4.280 3.677 3.005 4.053 . 0 0 "[ . 1 . 2]" 1
469 1 37 ALA MB 1 57 ASP HA . . 3.340 2.647 2.304 2.915 . 0 0 "[ . 1 . 2]" 1
470 1 37 ALA MB 1 58 ASP H . . 3.880 3.566 3.161 3.894 0.014 14 0 "[ . 1 . 2]" 1
471 1 38 GLY H 1 39 ASP H . . 3.580 2.788 2.259 3.069 . 0 0 "[ . 1 . 2]" 1
472 1 38 GLY H 1 55 ALA H . . 4.580 3.090 2.774 3.352 . 0 0 "[ . 1 . 2]" 1
473 1 38 GLY H 1 55 ALA MB . . 3.480 2.931 2.709 3.228 . 0 0 "[ . 1 . 2]" 1
474 1 38 GLY H 1 56 SER HA . . 4.170 3.926 3.490 4.168 . 0 0 "[ . 1 . 2]" 1
475 1 38 GLY HA2 1 54 ASP HB3 . . 4.340 3.332 2.608 4.044 . 0 0 "[ . 1 . 2]" 1
476 1 39 ASP H 1 39 ASP HB3 . . 3.590 3.557 3.474 3.647 0.057 6 0 "[ . 1 . 2]" 1
477 1 39 ASP H 1 55 ALA H . . 4.510 3.140 1.975 3.982 . 0 0 "[ . 1 . 2]" 1
478 1 39 ASP H 1 55 ALA MB . . 3.430 2.965 2.461 3.374 . 0 0 "[ . 1 . 2]" 1
479 1 39 ASP HA 1 40 ALA H . . 2.660 2.360 2.307 2.430 . 0 0 "[ . 1 . 2]" 1
480 1 39 ASP HA 1 40 ALA MB . . 4.100 4.028 3.966 4.052 . 0 0 "[ . 1 . 2]" 1
481 1 39 ASP HB3 1 40 ALA H . . 3.730 2.944 2.712 3.119 . 0 0 "[ . 1 . 2]" 1
482 1 39 ASP HB3 1 55 ALA MB . . 4.120 4.100 3.971 4.144 0.024 7 0 "[ . 1 . 2]" 1
483 1 40 ALA H 1 40 ALA MB . . 2.830 2.121 1.946 2.206 . 0 0 "[ . 1 . 2]" 1
484 1 40 ALA HA 1 41 LEU H . . 2.730 2.223 2.186 2.280 . 0 0 "[ . 1 . 2]" 1
485 1 40 ALA HA 1 42 CYS H . . 4.280 4.198 3.989 4.301 0.021 19 0 "[ . 1 . 2]" 1
486 1 40 ALA HA 1 52 THR MG . . 3.420 2.682 2.141 3.040 . 0 0 "[ . 1 . 2]" 1
487 1 40 ALA HA 1 54 ASP HA . . 3.000 2.355 2.004 3.008 0.008 17 0 "[ . 1 . 2]" 1
488 1 40 ALA MB 1 41 LEU H . . 3.720 3.139 2.890 3.427 . 0 0 "[ . 1 . 2]" 1
489 1 40 ALA MB 1 42 CYS H . . 4.520 4.014 3.814 4.360 . 0 0 "[ . 1 . 2]" 1
490 1 40 ALA MB 1 52 THR HB . . 3.690 3.682 3.615 3.724 0.034 19 0 "[ . 1 . 2]" 1
491 1 40 ALA MB 1 52 THR MG . . 2.750 1.734 1.660 1.901 . 0 0 "[ . 1 . 2]" 1
492 1 41 LEU H 1 41 LEU HB3 . . 3.690 3.488 3.437 3.549 . 0 0 "[ . 1 . 2]" 1
493 1 41 LEU H 1 41 LEU MD1 . . 4.200 3.934 3.620 4.164 . 0 0 "[ . 1 . 2]" 1
494 1 41 LEU H 1 41 LEU MD2 . . 4.270 4.077 3.929 4.215 . 0 0 "[ . 1 . 2]" 1
495 1 41 LEU H 1 41 LEU HG . . 3.600 3.263 3.081 3.484 . 0 0 "[ . 1 . 2]" 1
496 1 41 LEU H 1 42 CYS H . . 3.200 2.289 2.173 2.426 . 0 0 "[ . 1 . 2]" 1
497 1 41 LEU H 1 52 THR MG . . 3.760 3.119 2.832 3.437 . 0 0 "[ . 1 . 2]" 1
498 1 41 LEU H 1 54 ASP HA . . 3.500 3.012 2.703 3.165 . 0 0 "[ . 1 . 2]" 1
499 1 41 LEU H 1 55 ALA MB . . 4.760 4.710 4.586 4.773 0.013 18 0 "[ . 1 . 2]" 1
500 1 41 LEU HA 1 41 LEU MD1 . . 3.810 3.812 3.762 3.830 0.020 17 0 "[ . 1 . 2]" 1
501 1 41 LEU HA 1 41 LEU MD2 . . 3.030 2.144 1.969 2.354 . 0 0 "[ . 1 . 2]" 1
502 1 41 LEU HA 1 41 LEU HG . . 4.160 2.758 2.636 2.913 . 0 0 "[ . 1 . 2]" 1
503 1 41 LEU HB3 1 41 LEU MD1 . . 3.660 2.450 2.227 2.587 . 0 0 "[ . 1 . 2]" 1
504 1 41 LEU HB3 1 41 LEU MD2 . . 3.150 2.296 2.166 2.440 . 0 0 "[ . 1 . 2]" 1
505 1 41 LEU HB3 1 42 CYS H . . 3.730 3.188 3.050 3.302 . 0 0 "[ . 1 . 2]" 1
506 1 41 LEU HB3 1 53 LEU MD1 . . 4.430 4.349 4.089 4.433 0.003 1 0 "[ . 1 . 2]" 1
507 1 41 LEU MD1 1 42 CYS H . . 4.470 4.465 4.377 4.496 0.026 15 0 "[ . 1 . 2]" 1
508 1 41 LEU MD1 1 55 ALA H . . 4.300 3.572 3.184 3.913 . 0 0 "[ . 1 . 2]" 1
509 1 41 LEU MD1 1 55 ALA HA . . 3.130 2.138 1.801 2.514 . 0 0 "[ . 1 . 2]" 1
510 1 41 LEU MD1 1 55 ALA MB . . 3.270 2.028 1.908 2.175 . 0 0 "[ . 1 . 2]" 1
511 1 41 LEU HG 1 54 ASP HA . . 4.240 4.175 3.970 4.244 0.004 1 0 "[ . 1 . 2]" 1
512 1 41 LEU HG 1 55 ALA H . . 4.060 3.332 2.851 3.685 . 0 0 "[ . 1 . 2]" 1
513 1 41 LEU HG 1 55 ALA MB . . 3.740 2.391 2.199 2.569 . 0 0 "[ . 1 . 2]" 1
514 1 42 CYS H 1 42 CYS HG . . 4.780 3.098 2.022 4.332 . 0 0 "[ . 1 . 2]" 1
515 1 42 CYS H 1 52 THR MG . . 3.970 3.206 2.896 3.579 . 0 0 "[ . 1 . 2]" 1
516 1 42 CYS H 1 53 LEU H . . 3.770 2.867 2.657 3.066 . 0 0 "[ . 1 . 2]" 1
517 1 42 CYS H 1 53 LEU HB3 . . 4.480 2.626 2.366 2.864 . 0 0 "[ . 1 . 2]" 1
518 1 42 CYS HA 1 43 GLU H . . 3.070 2.587 2.504 2.650 . 0 0 "[ . 1 . 2]" 1
519 1 42 CYS HB3 1 43 GLU H . . 3.430 3.713 3.660 3.758 0.328 18 0 "[ . 1 . 2]" 1
520 1 43 GLU H 1 43 GLU HB3 . . 3.800 3.611 3.560 3.655 . 0 0 "[ . 1 . 2]" 1
521 1 43 GLU H 1 43 GLU HG3 . . 4.160 2.984 2.715 3.402 . 0 0 "[ . 1 . 2]" 1
522 1 43 GLU HA 1 44 ILE H . . 2.910 2.211 2.202 2.265 . 0 0 "[ . 1 . 2]" 1
523 1 43 GLU HB3 1 44 ILE H . . 4.260 3.527 3.128 3.642 . 0 0 "[ . 1 . 2]" 1
524 1 43 GLU HB3 1 50 VAL MG2 . . 3.140 2.955 2.253 3.152 0.012 19 0 "[ . 1 . 2]" 1
525 1 43 GLU HG3 1 52 THR MG . . 4.040 3.740 3.340 4.059 0.019 11 0 "[ . 1 . 2]" 1
526 1 44 ILE H 1 44 ILE HB . . 3.310 2.477 2.411 2.641 . 0 0 "[ . 1 . 2]" 1
527 1 44 ILE H 1 44 ILE MD . . 4.110 3.916 3.755 4.139 0.029 16 0 "[ . 1 . 2]" 1
528 1 44 ILE H 1 44 ILE HG13 . . 4.110 3.302 2.704 3.550 . 0 0 "[ . 1 . 2]" 1
529 1 44 ILE H 1 44 ILE MG . . 4.390 3.768 3.741 3.839 . 0 0 "[ . 1 . 2]" 1
530 1 44 ILE H 1 53 LEU H . . 4.650 3.351 3.005 3.995 . 0 0 "[ . 1 . 2]" 1
531 1 44 ILE HA 1 44 ILE MD . . 3.730 2.687 2.229 3.782 0.052 18 0 "[ . 1 . 2]" 1
532 1 44 ILE HA 1 44 ILE HG13 . . 3.770 3.631 3.050 3.812 0.042 4 0 "[ . 1 . 2]" 1
533 1 44 ILE HA 1 44 ILE MG . . 3.130 2.345 2.261 2.521 . 0 0 "[ . 1 . 2]" 1
534 1 44 ILE HB 1 44 ILE MD . . 3.300 2.993 2.458 3.180 . 0 0 "[ . 1 . 2]" 1
535 1 44 ILE HB 1 51 VAL H . . 4.640 4.394 4.080 4.673 0.033 18 0 "[ . 1 . 2]" 1
536 1 44 ILE MD 1 53 LEU HB3 . . 3.550 3.834 3.619 3.880 0.330 20 0 "[ . 1 . 2]" 1
537 1 44 ILE MD 1 53 LEU HG . . 4.150 2.913 2.043 3.419 . 0 0 "[ . 1 . 2]" 1
538 1 44 ILE HG13 1 44 ILE MG . . 3.400 2.759 2.568 3.234 . 0 0 "[ . 1 . 2]" 1
539 1 44 ILE MG 1 45 GLU H . . 3.320 2.320 1.965 2.627 . 0 0 "[ . 1 . 2]" 1
540 1 45 GLU H 1 45 GLU HB3 . . 3.690 3.101 2.982 3.338 . 0 0 "[ . 1 . 2]" 1
541 1 45 GLU H 1 45 GLU HG3 . . 4.110 3.968 3.575 4.170 0.060 8 0 "[ . 1 . 2]" 1
542 1 45 GLU HA 1 45 GLU HG3 . . 3.430 2.379 2.179 2.517 . 0 0 "[ . 1 . 2]" 1
543 1 45 GLU HA 1 46 THR H . . 2.920 2.254 2.206 2.324 . 0 0 "[ . 1 . 2]" 1
544 1 45 GLU HA 1 46 THR MG . . 4.020 3.480 3.042 3.899 . 0 0 "[ . 1 . 2]" 1
545 1 45 GLU HA 1 50 VAL MG2 . . 4.080 3.746 3.348 4.055 . 0 0 "[ . 1 . 2]" 1
546 1 45 GLU HA 1 51 VAL H . . 4.040 3.404 3.018 3.704 . 0 0 "[ . 1 . 2]" 1
547 1 45 GLU HB3 1 46 THR H . . 4.580 3.612 3.210 3.963 . 0 0 "[ . 1 . 2]" 1
548 1 45 GLU HG3 1 46 THR H . . 3.910 3.954 3.911 4.017 0.107 18 0 "[ . 1 . 2]" 1
549 1 46 THR H 1 46 THR MG . . 3.230 2.947 2.484 3.241 0.011 2 0 "[ . 1 . 2]" 1
550 1 46 THR H 1 49 ALA H . . 3.840 3.821 3.664 3.851 0.011 16 0 "[ . 1 . 2]" 1
551 1 46 THR H 1 50 VAL HA . . 3.760 3.300 3.045 3.551 . 0 0 "[ . 1 . 2]" 1
552 1 46 THR H 1 51 VAL H . . 4.570 3.768 3.477 4.027 . 0 0 "[ . 1 . 2]" 1
553 1 46 THR HA 1 46 THR HB . . 2.900 2.527 2.379 2.637 . 0 0 "[ . 1 . 2]" 1
554 1 46 THR HA 1 46 THR MG . . 2.970 2.469 2.287 2.674 . 0 0 "[ . 1 . 2]" 1
555 1 46 THR HB 1 47 ASP H . . 3.060 2.998 2.726 3.066 0.006 20 0 "[ . 1 . 2]" 1
556 1 46 THR HB 1 48 LYS H . . 4.350 2.935 2.382 3.404 . 0 0 "[ . 1 . 2]" 1
557 1 46 THR HG1 1 48 LYS H . . 4.550 3.513 2.562 4.162 . 0 0 "[ . 1 . 2]" 1
558 1 46 THR HG1 1 49 ALA H . . 4.330 2.109 1.943 2.509 . 0 0 "[ . 1 . 2]" 1
559 1 46 THR MG 1 47 ASP H . . 4.480 3.963 3.662 4.250 . 0 0 "[ . 1 . 2]" 1
560 1 46 THR MG 1 51 VAL H . . 4.260 3.551 2.344 4.220 . 0 0 "[ . 1 . 2]" 1
561 1 46 THR MG 1 51 VAL HB . . 4.390 4.046 2.701 4.401 0.011 9 0 "[ . 1 . 2]" 1
562 1 46 THR MG 1 51 VAL MG2 . . 3.160 1.910 1.644 2.184 . 0 0 "[ . 1 . 2]" 1
563 1 47 ASP H 1 48 LYS H . . 3.640 2.836 2.523 2.990 . 0 0 "[ . 1 . 2]" 1
564 1 47 ASP HA 1 47 ASP HB3 . . 3.030 2.755 2.338 3.032 0.002 16 0 "[ . 1 . 2]" 1
565 1 47 ASP HB3 1 48 LYS H . . 4.810 3.218 2.324 4.129 . 0 0 "[ . 1 . 2]" 1
566 1 48 LYS H 1 48 LYS HB3 . . 3.770 3.123 2.241 3.505 . 0 0 "[ . 1 . 2]" 1
567 1 48 LYS H 1 48 LYS HG3 . . 4.340 3.972 3.367 4.367 0.027 4 0 "[ . 1 . 2]" 1
568 1 48 LYS H 1 49 ALA H . . 3.240 3.025 2.728 3.226 . 0 0 "[ . 1 . 2]" 1
569 1 48 LYS HA 1 48 LYS HD3 . . 4.140 3.404 2.529 4.098 . 0 0 "[ . 1 . 2]" 1
570 1 48 LYS HA 1 48 LYS HG3 . . 3.920 3.056 2.055 3.610 . 0 0 "[ . 1 . 2]" 1
571 1 48 LYS HB3 1 49 ALA H . . 4.160 2.507 2.122 3.023 . 0 0 "[ . 1 . 2]" 1
572 1 49 ALA H 1 49 ALA MB . . 3.380 2.820 2.714 2.906 . 0 0 "[ . 1 . 2]" 1
573 1 49 ALA HA 1 50 VAL H . . 2.780 2.802 2.739 2.872 0.092 9 0 "[ . 1 . 2]" 1
574 1 49 ALA MB 1 50 VAL H . . 3.000 2.045 1.914 2.200 . 0 0 "[ . 1 . 2]" 1
575 1 50 VAL H 1 50 VAL HB . . 3.260 2.646 2.550 2.719 . 0 0 "[ . 1 . 2]" 1
576 1 50 VAL H 1 50 VAL MG1 . . 3.350 1.980 1.916 2.051 . 0 0 "[ . 1 . 2]" 1
577 1 50 VAL H 1 50 VAL MG2 . . 4.100 3.741 3.727 3.765 . 0 0 "[ . 1 . 2]" 1
578 1 50 VAL H 1 51 VAL H . . 4.770 4.346 4.208 4.522 . 0 0 "[ . 1 . 2]" 1
579 1 50 VAL HA 1 50 VAL MG1 . . 3.170 3.205 3.203 3.206 0.036 9 0 "[ . 1 . 2]" 1
580 1 50 VAL HA 1 50 VAL MG2 . . 3.130 2.366 2.280 2.425 . 0 0 "[ . 1 . 2]" 1
581 1 50 VAL HA 1 51 VAL H . . 2.880 2.203 2.182 2.244 . 0 0 "[ . 1 . 2]" 1
582 1 50 VAL HB 1 51 VAL H . . 4.700 4.476 4.321 4.555 . 0 0 "[ . 1 . 2]" 1
583 1 50 VAL MG2 1 51 VAL H . . 3.230 3.024 2.686 3.284 0.054 17 0 "[ . 1 . 2]" 1
584 1 50 VAL MG2 1 51 VAL HA . . 4.290 4.021 3.711 4.209 . 0 0 "[ . 1 . 2]" 1
585 1 51 VAL H 1 51 VAL HB . . 3.760 3.507 2.587 3.682 . 0 0 "[ . 1 . 2]" 1
586 1 51 VAL H 1 51 VAL MG1 . . 3.610 3.041 2.719 3.769 0.159 12 0 "[ . 1 . 2]" 1
587 1 51 VAL H 1 51 VAL MG2 . . 3.200 1.976 1.868 2.140 . 0 0 "[ . 1 . 2]" 1
588 1 51 VAL H 1 52 THR H . . 4.660 4.526 4.465 4.571 . 0 0 "[ . 1 . 2]" 1
589 1 51 VAL HA 1 51 VAL MG1 . . 3.120 2.255 2.137 2.300 . 0 0 "[ . 1 . 2]" 1
590 1 51 VAL HA 1 51 VAL MG2 . . 3.390 3.132 2.476 3.212 . 0 0 "[ . 1 . 2]" 1
591 1 51 VAL HA 1 52 THR H . . 2.730 2.471 2.379 2.522 . 0 0 "[ . 1 . 2]" 1
592 1 51 VAL HA 1 52 THR HB . . 4.450 4.371 4.274 4.509 0.059 18 0 "[ . 1 . 2]" 1
593 1 51 VAL HB 1 52 THR H . . 3.340 2.584 2.382 3.363 0.023 12 0 "[ . 1 . 2]" 1
594 1 51 VAL MG1 1 52 THR H . . 3.550 3.350 1.899 3.563 0.013 11 0 "[ . 1 . 2]" 1
595 1 51 VAL MG2 1 52 THR H . . 3.930 3.754 3.592 4.027 0.097 17 0 "[ . 1 . 2]" 1
596 1 52 THR H 1 52 THR HB . . 3.130 2.463 2.401 2.525 . 0 0 "[ . 1 . 2]" 1
597 1 52 THR H 1 52 THR MG . . 3.710 3.765 3.733 3.808 0.098 4 0 "[ . 1 . 2]" 1
598 1 52 THR H 1 53 LEU H . . 4.780 4.485 4.447 4.523 . 0 0 "[ . 1 . 2]" 1
599 1 52 THR HA 1 52 THR MG . . 2.940 2.499 2.416 2.590 . 0 0 "[ . 1 . 2]" 1
600 1 52 THR HA 1 53 LEU H . . 2.910 2.257 2.224 2.287 . 0 0 "[ . 1 . 2]" 1
601 1 52 THR HB 1 53 LEU H . . 4.180 4.178 4.117 4.212 0.032 8 0 "[ . 1 . 2]" 1
602 1 52 THR MG 1 53 LEU H . . 3.360 2.231 1.953 2.527 . 0 0 "[ . 1 . 2]" 1
603 1 53 LEU H 1 53 LEU HB3 . . 3.670 2.877 2.801 2.975 . 0 0 "[ . 1 . 2]" 1
604 1 53 LEU H 1 53 LEU MD1 . . 4.630 4.252 4.171 4.306 . 0 0 "[ . 1 . 2]" 1
605 1 53 LEU HA 1 53 LEU MD1 . . 4.060 3.780 3.757 3.793 . 0 0 "[ . 1 . 2]" 1
606 1 53 LEU HA 1 53 LEU MD2 . . 3.010 2.380 2.050 2.546 . 0 0 "[ . 1 . 2]" 1
607 1 53 LEU HA 1 53 LEU HG . . 3.830 2.494 2.410 2.570 . 0 0 "[ . 1 . 2]" 1
608 1 53 LEU HA 1 54 ASP H . . 2.700 2.182 2.175 2.203 . 0 0 "[ . 1 . 2]" 1
609 1 53 LEU HB3 1 53 LEU MD1 . . 3.480 2.343 2.220 2.432 . 0 0 "[ . 1 . 2]" 1
610 1 53 LEU HB3 1 54 ASP H . . 4.650 4.080 3.842 4.245 . 0 0 "[ . 1 . 2]" 1
611 1 53 LEU MD2 1 54 ASP H . . 3.280 2.482 2.092 2.853 . 0 0 "[ . 1 . 2]" 1
612 1 53 LEU HG 1 54 ASP H . . 4.140 4.099 3.827 4.145 0.005 7 0 "[ . 1 . 2]" 1
613 1 54 ASP H 1 54 ASP HB3 . . 3.430 3.290 2.875 3.690 0.260 8 0 "[ . 1 . 2]" 1
614 1 54 ASP HA 1 55 ALA H . . 2.680 2.385 2.303 2.429 . 0 0 "[ . 1 . 2]" 1
615 1 54 ASP HA 1 55 ALA MB . . 4.010 4.000 3.943 4.045 0.035 7 0 "[ . 1 . 2]" 1
616 1 54 ASP HB3 1 55 ALA H . . 3.880 3.398 2.762 3.886 0.006 6 0 "[ . 1 . 2]" 1
617 1 55 ALA H 1 55 ALA MB . . 2.810 2.050 1.951 2.204 . 0 0 "[ . 1 . 2]" 1
618 1 55 ALA HA 1 56 SER H . . 3.020 2.285 2.224 2.416 . 0 0 "[ . 1 . 2]" 1
619 1 55 ALA HA 1 57 ASP H . . 4.090 3.793 3.632 4.025 . 0 0 "[ . 1 . 2]" 1
620 1 55 ALA MB 1 56 SER H . . 3.730 2.949 2.634 3.121 . 0 0 "[ . 1 . 2]" 1
621 1 55 ALA MB 1 57 ASP H . . 3.470 2.921 2.661 3.273 . 0 0 "[ . 1 . 2]" 1
622 1 56 SER H 1 56 SER HB3 . . 4.030 2.972 2.294 3.559 . 0 0 "[ . 1 . 2]" 1
623 1 56 SER H 1 57 ASP H . . 3.430 2.104 1.902 2.225 . 0 0 "[ . 1 . 2]" 1
624 1 56 SER HB3 1 57 ASP H . . 4.740 3.365 2.914 4.000 . 0 0 "[ . 1 . 2]" 1
625 1 57 ASP H 1 57 ASP HB3 . . 3.540 3.731 2.793 3.909 0.369 3 0 "[ . 1 . 2]" 1
626 1 57 ASP H 1 82 ILE MD . . 4.360 3.786 3.377 4.006 . 0 0 "[ . 1 . 2]" 1
627 1 57 ASP HA 1 58 ASP H . . 2.760 2.516 2.348 2.598 . 0 0 "[ . 1 . 2]" 1
628 1 57 ASP HB3 1 58 ASP H . . 3.810 2.562 2.294 3.844 0.034 13 0 "[ . 1 . 2]" 1
629 1 57 ASP HB3 1 82 ILE MD . . 4.010 4.558 3.657 5.192 1.182 16 10 "[ ** . * *-* *.+ **]" 1
630 1 58 ASP H 1 58 ASP HB3 . . 3.250 3.293 2.929 3.661 0.411 13 0 "[ . 1 . 2]" 1
631 1 58 ASP HA 1 59 GLY H . . 2.850 2.269 2.255 2.287 . 0 0 "[ . 1 . 2]" 1
632 1 58 ASP HB3 1 59 GLY H . . 4.120 3.829 3.366 4.125 0.005 20 0 "[ . 1 . 2]" 1
633 1 59 GLY H 1 60 ILE H . . 4.920 4.354 4.327 4.373 . 0 0 "[ . 1 . 2]" 1
634 1 59 GLY H 1 82 ILE MG . . 4.090 3.471 3.165 3.671 . 0 0 "[ . 1 . 2]" 1
635 1 59 GLY HA2 1 60 ILE H . . 3.310 2.678 2.540 2.773 . 0 0 "[ . 1 . 2]" 1
636 1 59 GLY HA2 1 82 ILE MG . . 3.680 3.239 3.158 3.499 . 0 0 "[ . 1 . 2]" 1
637 1 59 GLY HA2 1 85 GLU H . . 3.950 2.654 2.336 2.984 . 0 0 "[ . 1 . 2]" 1
638 1 59 GLY HA3 1 60 ILE H . . 3.100 2.565 2.478 2.701 . 0 0 "[ . 1 . 2]" 1
639 1 59 GLY HA3 1 82 ILE MD . . 3.920 3.503 3.204 3.791 . 0 0 "[ . 1 . 2]" 1
640 1 59 GLY HA3 1 82 ILE MG . . 3.080 1.865 1.793 2.058 . 0 0 "[ . 1 . 2]" 1
641 1 59 GLY HA3 1 83 VAL H . . 4.170 3.683 3.363 3.963 . 0 0 "[ . 1 . 2]" 1
642 1 59 GLY HA3 1 85 GLU H . . 4.250 3.988 3.600 4.241 . 0 0 "[ . 1 . 2]" 1
643 1 60 ILE H 1 60 ILE HB . . 3.410 2.314 2.232 2.414 . 0 0 "[ . 1 . 2]" 1
644 1 60 ILE H 1 60 ILE MD . . 4.410 4.169 3.919 4.293 . 0 0 "[ . 1 . 2]" 1
645 1 60 ILE H 1 60 ILE HG13 . . 4.090 3.852 3.688 4.039 . 0 0 "[ . 1 . 2]" 1
646 1 60 ILE H 1 60 ILE MG . . 4.680 3.634 3.593 3.703 . 0 0 "[ . 1 . 2]" 1
647 1 60 ILE H 1 82 ILE MG . . 3.200 2.575 2.251 2.807 . 0 0 "[ . 1 . 2]" 1
648 1 60 ILE H 1 83 VAL H . . 3.610 2.495 2.367 2.660 . 0 0 "[ . 1 . 2]" 1
649 1 60 ILE H 1 83 VAL MG2 . . 4.120 2.963 2.614 3.259 . 0 0 "[ . 1 . 2]" 1
650 1 60 ILE HA 1 60 ILE MD . . 3.620 2.253 1.964 2.354 . 0 0 "[ . 1 . 2]" 1
651 1 60 ILE HA 1 60 ILE HG13 . . 3.680 3.647 3.621 3.697 0.017 12 0 "[ . 1 . 2]" 1
652 1 60 ILE HA 1 60 ILE MG . . 3.150 2.552 2.439 2.614 . 0 0 "[ . 1 . 2]" 1
653 1 60 ILE HA 1 61 LEU H . . 2.880 2.223 2.192 2.253 . 0 0 "[ . 1 . 2]" 1
654 1 60 ILE HB 1 60 ILE MD . . 3.550 3.171 3.155 3.200 . 0 0 "[ . 1 . 2]" 1
655 1 60 ILE HB 1 61 LEU H . . 4.440 4.323 4.261 4.420 . 0 0 "[ . 1 . 2]" 1
656 1 60 ILE HB 1 83 VAL H . . 4.010 3.511 3.331 3.841 . 0 0 "[ . 1 . 2]" 1
657 1 60 ILE HB 1 83 VAL MG2 . . 3.220 2.212 1.970 2.552 . 0 0 "[ . 1 . 2]" 1
658 1 60 ILE MD 1 60 ILE MG . . 2.920 1.884 1.841 2.047 . 0 0 "[ . 1 . 2]" 1
659 1 60 ILE MD 1 61 LEU H . . 4.280 3.179 2.939 3.367 . 0 0 "[ . 1 . 2]" 1
660 1 60 ILE MD 1 85 GLU HA . . 3.780 3.724 3.502 3.790 0.010 7 0 "[ . 1 . 2]" 1
661 1 60 ILE MD 1 86 GLY H . . 4.270 4.004 3.695 4.278 0.008 13 0 "[ . 1 . 2]" 1
662 1 60 ILE MD 1 89 TRP HD1 . . 4.220 4.047 3.568 4.224 0.004 18 0 "[ . 1 . 2]" 1
663 1 60 ILE HG13 1 60 ILE MG . . 3.360 2.598 2.435 2.668 . 0 0 "[ . 1 . 2]" 1
664 1 60 ILE HG13 1 85 GLU HA . . 3.960 2.207 1.987 2.586 . 0 0 "[ . 1 . 2]" 1
665 1 60 ILE MG 1 61 LEU H . . 3.120 2.503 2.338 2.655 . 0 0 "[ . 1 . 2]" 1
666 1 60 ILE MG 1 61 LEU HB3 . . 4.070 4.183 4.093 4.208 0.138 15 0 "[ . 1 . 2]" 1
667 1 60 ILE MG 1 62 ALA HA . . 3.620 3.170 3.101 3.264 . 0 0 "[ . 1 . 2]" 1
668 1 60 ILE MG 1 62 ALA MB . . 3.950 3.960 3.943 3.978 0.028 13 0 "[ . 1 . 2]" 1
669 1 60 ILE MG 1 83 VAL MG2 . . 3.650 2.500 2.209 2.867 . 0 0 "[ . 1 . 2]" 1
670 1 60 ILE MG 1 89 TRP HB3 . . 4.170 2.497 2.222 2.781 . 0 0 "[ . 1 . 2]" 1
671 1 60 ILE MG 1 89 TRP HD1 . . 4.090 2.709 2.358 2.990 . 0 0 "[ . 1 . 2]" 1
672 1 61 LEU H 1 61 LEU HB3 . . 3.370 3.051 2.988 3.130 . 0 0 "[ . 1 . 2]" 1
673 1 61 LEU H 1 61 LEU MD1 . . 4.560 4.083 3.995 4.169 . 0 0 "[ . 1 . 2]" 1
674 1 61 LEU H 1 61 LEU HG . . 4.230 3.802 3.665 3.898 . 0 0 "[ . 1 . 2]" 1
675 1 61 LEU HA 1 61 LEU MD1 . . 4.350 3.771 3.757 3.781 . 0 0 "[ . 1 . 2]" 1
676 1 61 LEU HA 1 61 LEU MD2 . . 2.890 2.126 1.971 2.282 . 0 0 "[ . 1 . 2]" 1
677 1 61 LEU HA 1 61 LEU HG . . 3.940 2.518 2.440 2.589 . 0 0 "[ . 1 . 2]" 1
678 1 61 LEU HA 1 62 ALA H . . 2.960 2.287 2.263 2.296 . 0 0 "[ . 1 . 2]" 1
679 1 61 LEU HA 1 62 ALA MB . . 4.240 3.994 3.947 4.026 . 0 0 "[ . 1 . 2]" 1
680 1 61 LEU HA 1 63 LYS H . . 4.280 4.205 3.924 4.305 0.025 2 0 "[ . 1 . 2]" 1
681 1 61 LEU HA 1 82 ILE HA . . 3.250 2.979 2.769 3.198 . 0 0 "[ . 1 . 2]" 1
682 1 61 LEU HA 1 82 ILE HG13 . . 4.110 3.507 3.010 4.098 . 0 0 "[ . 1 . 2]" 1
683 1 61 LEU HA 1 83 VAL H . . 4.380 4.304 4.154 4.381 0.001 18 0 "[ . 1 . 2]" 1
684 1 61 LEU HB3 1 61 LEU MD1 . . 3.470 2.313 2.210 2.449 . 0 0 "[ . 1 . 2]" 1
685 1 61 LEU HB3 1 61 LEU MD2 . . 3.640 2.415 2.309 2.504 . 0 0 "[ . 1 . 2]" 1
686 1 61 LEU MD1 1 64 ILE MD . . 3.240 2.194 1.817 2.644 . 0 0 "[ . 1 . 2]" 1
687 1 61 LEU MD1 1 64 ILE HG13 . . 3.760 2.951 2.502 3.382 . 0 0 "[ . 1 . 2]" 1
688 1 61 LEU MD2 1 62 ALA H . . 3.450 3.185 3.071 3.327 . 0 0 "[ . 1 . 2]" 1
689 1 61 LEU MD2 1 63 LYS H . . 3.600 3.056 2.741 3.291 . 0 0 "[ . 1 . 2]" 1
690 1 61 LEU MD2 1 63 LYS HA . . 4.360 3.588 3.479 3.795 . 0 0 "[ . 1 . 2]" 1
691 1 61 LEU MD2 1 81 LEU H . . 3.710 3.280 3.030 3.693 . 0 0 "[ . 1 . 2]" 1
692 1 61 LEU MD2 1 82 ILE HA . . 4.010 3.840 3.663 4.020 0.010 2 0 "[ . 1 . 2]" 1
693 1 62 ALA H 1 62 ALA MB . . 3.070 2.099 2.007 2.160 . 0 0 "[ . 1 . 2]" 1
694 1 62 ALA H 1 63 LYS H . . 3.390 3.050 2.946 3.112 . 0 0 "[ . 1 . 2]" 1
695 1 62 ALA H 1 82 ILE HA . . 3.270 2.239 1.982 2.692 . 0 0 "[ . 1 . 2]" 1
696 1 62 ALA H 1 83 VAL H . . 4.180 3.275 3.025 3.612 . 0 0 "[ . 1 . 2]" 1
697 1 62 ALA H 1 83 VAL MG1 . . 4.170 3.749 3.483 4.020 . 0 0 "[ . 1 . 2]" 1
698 1 62 ALA H 1 83 VAL MG2 . . 4.150 2.865 2.513 3.226 . 0 0 "[ . 1 . 2]" 1
699 1 62 ALA HA 1 89 TRP HB3 . . 3.590 3.452 3.008 3.721 0.131 13 0 "[ . 1 . 2]" 1
700 1 62 ALA HA 1 89 TRP HE3 . . 3.690 2.981 2.280 3.695 0.005 7 0 "[ . 1 . 2]" 1
701 1 62 ALA MB 1 63 LYS H . . 3.300 2.151 1.995 2.322 . 0 0 "[ . 1 . 2]" 1
702 1 62 ALA MB 1 82 ILE HA . . 4.010 2.992 2.660 3.470 . 0 0 "[ . 1 . 2]" 1
703 1 62 ALA MB 1 83 VAL H . . 4.000 3.358 3.216 3.758 . 0 0 "[ . 1 . 2]" 1
704 1 62 ALA MB 1 83 VAL HB . . 3.900 3.908 3.817 3.934 0.034 7 0 "[ . 1 . 2]" 1
705 1 62 ALA MB 1 83 VAL MG2 . . 2.950 2.033 1.804 2.228 . 0 0 "[ . 1 . 2]" 1
706 1 62 ALA MB 1 89 TRP HA . . 3.800 3.532 2.873 3.812 0.012 15 0 "[ . 1 . 2]" 1
707 1 62 ALA MB 1 89 TRP HB3 . . 3.740 4.087 3.860 4.187 0.447 16 0 "[ . 1 . 2]" 1
708 1 62 ALA MB 1 89 TRP HE3 . . 4.280 3.939 3.157 4.275 . 0 0 "[ . 1 . 2]" 1
709 1 63 LYS H 1 63 LYS HG3 . . 4.310 4.409 3.805 5.102 0.792 10 7 "[ ** . *-+ . **2]" 1
710 1 63 LYS H 1 64 ILE H . . 4.990 4.350 4.265 4.406 . 0 0 "[ . 1 . 2]" 1
711 1 63 LYS H 1 81 LEU H . . 3.680 2.608 2.346 2.890 . 0 0 "[ . 1 . 2]" 1
712 1 63 LYS HA 1 63 LYS HG3 . . 3.770 3.498 3.356 3.611 . 0 0 "[ . 1 . 2]" 1
713 1 63 LYS HA 1 64 ILE H . . 2.750 2.476 2.263 2.652 . 0 0 "[ . 1 . 2]" 1
714 1 63 LYS HA 1 64 ILE HB . . 4.350 4.377 4.340 4.448 0.098 9 0 "[ . 1 . 2]" 1
715 1 63 LYS HD3 1 65 VAL MG2 . . 4.120 3.374 1.968 4.238 0.118 11 0 "[ . 1 . 2]" 1
716 1 63 LYS HG3 1 64 ILE H . . 4.310 2.791 2.031 3.819 . 0 0 "[ . 1 . 2]" 1
717 1 63 LYS HG3 1 65 VAL HA . . 4.460 3.741 3.281 4.463 0.003 3 0 "[ . 1 . 2]" 1
718 1 64 ILE H 1 64 ILE HB . . 3.270 2.429 2.256 2.576 . 0 0 "[ . 1 . 2]" 1
719 1 64 ILE H 1 64 ILE MD . . 4.280 3.909 3.591 4.142 . 0 0 "[ . 1 . 2]" 1
720 1 64 ILE H 1 64 ILE HG13 . . 4.540 3.080 2.717 3.310 . 0 0 "[ . 1 . 2]" 1
721 1 64 ILE H 1 64 ILE MG . . 4.130 3.681 3.630 3.735 . 0 0 "[ . 1 . 2]" 1
722 1 64 ILE HA 1 64 ILE MD . . 4.140 3.795 3.771 3.807 . 0 0 "[ . 1 . 2]" 1
723 1 64 ILE HA 1 64 ILE HG13 . . 3.390 2.720 2.629 2.923 . 0 0 "[ . 1 . 2]" 1
724 1 64 ILE HA 1 64 ILE MG . . 3.260 2.526 2.490 2.594 . 0 0 "[ . 1 . 2]" 1
725 1 64 ILE HA 1 65 VAL H . . 2.890 2.313 2.192 2.372 . 0 0 "[ . 1 . 2]" 1
726 1 64 ILE HA 1 65 VAL MG2 . . 4.200 3.774 3.651 3.901 . 0 0 "[ . 1 . 2]" 1
727 1 64 ILE HA 1 66 VAL H . . 3.980 3.973 3.861 3.999 0.019 20 0 "[ . 1 . 2]" 1
728 1 64 ILE HA 1 80 GLY HA2 . . 3.610 2.341 2.027 2.797 . 0 0 "[ . 1 . 2]" 1
729 1 64 ILE HA 1 80 GLY HA3 . . 3.950 2.835 2.529 3.086 . 0 0 "[ . 1 . 2]" 1
730 1 64 ILE HA 1 81 LEU H . . 4.580 3.717 3.398 4.028 . 0 0 "[ . 1 . 2]" 1
731 1 64 ILE HB 1 64 ILE MD . . 3.140 2.244 2.159 2.442 . 0 0 "[ . 1 . 2]" 1
732 1 64 ILE HB 1 65 VAL H . . 4.620 4.634 4.573 4.645 0.025 5 0 "[ . 1 . 2]" 1
733 1 64 ILE MD 1 64 ILE MG . . 2.780 1.992 1.883 2.195 . 0 0 "[ . 1 . 2]" 1
734 1 64 ILE HG13 1 64 ILE MG . . 3.340 3.232 3.220 3.238 . 0 0 "[ . 1 . 2]" 1
735 1 64 ILE MG 1 65 VAL H . . 3.720 3.593 3.058 3.700 . 0 0 "[ . 1 . 2]" 1
736 1 64 ILE MG 1 66 VAL H . . 3.630 2.999 2.686 3.133 . 0 0 "[ . 1 . 2]" 1
737 1 64 ILE MG 1 67 GLU H . . 4.840 3.375 3.209 3.523 . 0 0 "[ . 1 . 2]" 1
738 1 64 ILE MG 1 67 GLU HA . . 3.090 2.009 1.875 2.139 . 0 0 "[ . 1 . 2]" 1
739 1 64 ILE MG 1 67 GLU HG3 . . 4.090 3.053 1.968 3.821 . 0 0 "[ . 1 . 2]" 1
740 1 64 ILE MG 1 68 GLU H . . 4.350 3.880 3.455 4.050 . 0 0 "[ . 1 . 2]" 1
741 1 65 VAL H 1 65 VAL HB . . 3.430 2.612 2.408 2.694 . 0 0 "[ . 1 . 2]" 1
742 1 65 VAL H 1 65 VAL MG1 . . 3.890 3.698 3.685 3.710 . 0 0 "[ . 1 . 2]" 1
743 1 65 VAL H 1 65 VAL MG2 . . 3.150 1.944 1.878 2.062 . 0 0 "[ . 1 . 2]" 1
744 1 65 VAL H 1 66 VAL H . . 3.150 3.093 2.683 3.152 0.002 11 0 "[ . 1 . 2]" 1
745 1 65 VAL H 1 79 ILE HA . . 4.690 4.306 3.637 4.691 0.001 19 0 "[ . 1 . 2]" 1
746 1 65 VAL H 1 80 GLY HA2 . . 3.340 1.931 1.906 1.944 . 0 0 "[ . 1 . 2]" 1
747 1 65 VAL H 1 80 GLY HA3 . . 4.130 3.461 3.102 3.603 . 0 0 "[ . 1 . 2]" 1
748 1 65 VAL H 1 81 LEU H . . 4.480 3.668 3.489 4.152 . 0 0 "[ . 1 . 2]" 1
749 1 65 VAL HA 1 65 VAL MG1 . . 3.000 2.290 2.242 2.368 . 0 0 "[ . 1 . 2]" 1
750 1 65 VAL HA 1 65 VAL MG2 . . 2.970 2.346 2.271 2.389 . 0 0 "[ . 1 . 2]" 1
751 1 65 VAL HB 1 66 VAL H . . 3.680 2.289 2.239 2.444 . 0 0 "[ . 1 . 2]" 1
752 1 65 VAL HB 1 66 VAL MG2 . . 3.890 3.034 2.821 3.212 . 0 0 "[ . 1 . 2]" 1
753 1 65 VAL HB 1 79 ILE HA . . 3.270 2.466 2.199 2.766 . 0 0 "[ . 1 . 2]" 1
754 1 65 VAL HB 1 80 GLY H . . 4.310 3.651 3.444 3.921 . 0 0 "[ . 1 . 2]" 1
755 1 65 VAL HB 1 80 GLY HA2 . . 4.050 3.526 3.150 3.790 . 0 0 "[ . 1 . 2]" 1
756 1 65 VAL HB 1 80 GLY HA3 . . 4.840 4.716 4.337 4.886 0.046 7 0 "[ . 1 . 2]" 1
757 1 65 VAL MG1 1 66 VAL H . . 3.980 3.315 3.172 3.410 . 0 0 "[ . 1 . 2]" 1
758 1 65 VAL MG1 1 66 VAL HA . . 4.170 3.906 3.783 3.996 . 0 0 "[ . 1 . 2]" 1
759 1 65 VAL MG1 1 79 ILE HA . . 3.360 3.364 3.324 3.376 0.016 2 0 "[ . 1 . 2]" 1
760 1 65 VAL MG2 1 66 VAL H . . 3.940 3.689 3.614 3.783 . 0 0 "[ . 1 . 2]" 1
761 1 65 VAL MG2 1 79 ILE HA . . 4.220 3.917 3.623 4.233 0.013 10 0 "[ . 1 . 2]" 1
762 1 65 VAL MG2 1 80 GLY H . . 4.430 3.178 2.811 3.665 . 0 0 "[ . 1 . 2]" 1
763 1 65 VAL MG2 1 80 GLY HA2 . . 3.200 2.301 2.057 2.490 . 0 0 "[ . 1 . 2]" 1
764 1 65 VAL MG2 1 80 GLY HA3 . . 3.750 3.750 3.659 3.766 0.016 16 0 "[ . 1 . 2]" 1
765 1 65 VAL MG2 1 81 LEU H . . 3.790 3.358 3.135 3.624 . 0 0 "[ . 1 . 2]" 1
766 1 66 VAL H 1 66 VAL HB . . 3.370 2.461 2.344 2.622 . 0 0 "[ . 1 . 2]" 1
767 1 66 VAL H 1 66 VAL MG1 . . 4.110 3.766 3.700 3.839 . 0 0 "[ . 1 . 2]" 1
768 1 66 VAL H 1 66 VAL MG2 . . 3.370 2.698 2.490 2.810 . 0 0 "[ . 1 . 2]" 1
769 1 66 VAL H 1 67 GLU H . . 5.050 4.334 4.251 4.412 . 0 0 "[ . 1 . 2]" 1
770 1 66 VAL H 1 79 ILE HA . . 3.650 2.220 1.943 2.731 . 0 0 "[ . 1 . 2]" 1
771 1 66 VAL H 1 79 ILE HB . . 4.350 3.421 3.222 3.709 . 0 0 "[ . 1 . 2]" 1
772 1 66 VAL H 1 79 ILE MG . . 4.310 3.963 3.675 4.238 . 0 0 "[ . 1 . 2]" 1
773 1 66 VAL HA 1 66 VAL MG1 . . 3.140 2.419 2.235 2.541 . 0 0 "[ . 1 . 2]" 1
774 1 66 VAL HA 1 66 VAL MG2 . . 2.910 2.346 2.239 2.464 . 0 0 "[ . 1 . 2]" 1
775 1 66 VAL HA 1 67 GLU H . . 2.780 2.186 2.182 2.199 . 0 0 "[ . 1 . 2]" 1
776 1 66 VAL HB 1 79 ILE HA . . 3.410 2.314 2.039 2.801 . 0 0 "[ . 1 . 2]" 1
777 1 66 VAL HB 1 79 ILE HB . . 3.600 2.589 2.142 3.102 . 0 0 "[ . 1 . 2]" 1
778 1 66 VAL HB 1 79 ILE MG . . 3.300 2.538 2.050 3.126 . 0 0 "[ . 1 . 2]" 1
779 1 66 VAL MG1 1 67 GLU H . . 3.600 2.885 2.567 3.096 . 0 0 "[ . 1 . 2]" 1
780 1 66 VAL MG1 1 70 SER H . . 4.220 3.910 3.657 4.201 . 0 0 "[ . 1 . 2]" 1
781 1 66 VAL MG1 1 70 SER HB3 . . 3.150 2.541 2.241 2.980 . 0 0 "[ . 1 . 2]" 1
782 1 66 VAL MG1 1 70 SER HG . . 4.260 3.013 2.138 3.929 . 0 0 "[ . 1 . 2]" 1
783 1 66 VAL MG1 1 79 ILE HA . . 4.410 3.926 3.689 4.296 . 0 0 "[ . 1 . 2]" 1
784 1 66 VAL MG2 1 67 GLU H . . 4.320 4.166 4.072 4.296 . 0 0 "[ . 1 . 2]" 1
785 1 66 VAL MG2 1 79 ILE HA . . 2.960 2.196 1.971 2.495 . 0 0 "[ . 1 . 2]" 1
786 1 66 VAL MG2 1 79 ILE HB . . 3.900 3.697 3.425 3.903 0.003 17 0 "[ . 1 . 2]" 1
787 1 67 GLU H 1 67 GLU HB3 . . 3.470 3.524 3.438 3.608 0.138 13 0 "[ . 1 . 2]" 1
788 1 67 GLU H 1 67 GLU HG3 . . 3.770 3.339 2.553 3.826 0.056 3 0 "[ . 1 . 2]" 1
789 1 67 GLU HA 1 67 GLU HG3 . . 3.850 3.213 2.429 3.654 . 0 0 "[ . 1 . 2]" 1
790 1 67 GLU HA 1 68 GLU H . . 2.880 2.646 2.424 2.760 . 0 0 "[ . 1 . 2]" 1
791 1 67 GLU HB3 1 68 GLU H . . 3.840 2.192 1.952 2.642 . 0 0 "[ . 1 . 2]" 1
792 1 67 GLU HG3 1 68 GLU H . . 4.460 4.496 4.370 4.611 0.151 3 0 "[ . 1 . 2]" 1
793 1 68 GLU H 1 68 GLU HB3 . . 3.830 2.730 2.530 2.887 . 0 0 "[ . 1 . 2]" 1
794 1 68 GLU H 1 68 GLU HG3 . . 3.870 2.497 1.943 3.701 . 0 0 "[ . 1 . 2]" 1
795 1 68 GLU H 1 69 GLY H . . 4.970 4.637 4.604 4.670 . 0 0 "[ . 1 . 2]" 1
796 1 68 GLU HA 1 68 GLU HG3 . . 4.110 3.720 3.549 4.232 0.122 1 0 "[ . 1 . 2]" 1
797 1 68 GLU HA 1 69 GLY H . . 2.690 2.426 2.275 2.612 . 0 0 "[ . 1 . 2]" 1
798 1 68 GLU HA 1 70 SER H . . 3.810 3.060 2.910 3.207 . 0 0 "[ . 1 . 2]" 1
799 1 68 GLU HB3 1 68 GLU HG3 . . 2.980 2.932 2.575 3.033 0.053 15 0 "[ . 1 . 2]" 1
800 1 68 GLU HB3 1 69 GLY H . . 4.080 3.812 3.557 4.092 0.012 3 0 "[ . 1 . 2]" 1
801 1 69 GLY H 1 70 SER H . . 3.410 2.485 2.044 2.760 . 0 0 "[ . 1 . 2]" 1
802 1 70 SER H 1 70 SER HB3 . . 3.470 3.249 2.599 3.610 0.140 19 0 "[ . 1 . 2]" 1
803 1 70 SER H 1 70 SER HG . . 4.320 3.453 2.245 4.310 . 0 0 "[ . 1 . 2]" 1
804 1 70 SER HA 1 71 LYS H . . 2.760 2.398 2.217 2.655 . 0 0 "[ . 1 . 2]" 1
805 1 70 SER HB3 1 71 LYS H . . 4.400 3.234 2.531 3.796 . 0 0 "[ . 1 . 2]" 1
806 1 70 SER HB3 1 73 ILE MD . . 3.720 2.235 1.889 3.378 . 0 0 "[ . 1 . 2]" 1
807 1 71 LYS H 1 71 LYS HG3 . . 3.840 2.731 1.994 3.856 0.016 16 0 "[ . 1 . 2]" 1
808 1 71 LYS H 1 73 ILE MD . . 4.350 3.351 2.554 4.105 . 0 0 "[ . 1 . 2]" 1
809 1 71 LYS HB3 1 72 ASN H . . 3.620 3.297 2.151 4.143 0.523 10 2 "[ .- + . 2]" 1
810 1 72 ASN H 1 73 ILE H . . 3.660 3.067 2.466 3.420 . 0 0 "[ . 1 . 2]" 1
811 1 72 ASN HA 1 72 ASN HD21 . . 3.750 3.166 1.941 3.749 . 0 0 "[ . 1 . 2]" 1
812 1 72 ASN HA 1 72 ASN HD22 . . 4.420 3.898 3.288 4.344 . 0 0 "[ . 1 . 2]" 1
813 1 72 ASN HA 1 73 ILE H . . 3.280 2.522 2.393 2.754 . 0 0 "[ . 1 . 2]" 1
814 1 73 ILE H 1 73 ILE HB . . 3.220 2.615 2.546 2.683 . 0 0 "[ . 1 . 2]" 1
815 1 73 ILE H 1 73 ILE MD . . 3.980 3.622 3.283 3.920 . 0 0 "[ . 1 . 2]" 1
816 1 73 ILE H 1 73 ILE HG13 . . 3.560 3.712 3.517 3.791 0.231 15 0 "[ . 1 . 2]" 1
817 1 73 ILE H 1 73 ILE MG . . 3.950 3.826 3.770 3.868 . 0 0 "[ . 1 . 2]" 1
818 1 73 ILE HA 1 73 ILE MD . . 3.110 2.161 1.967 2.308 . 0 0 "[ . 1 . 2]" 1
819 1 73 ILE HA 1 73 ILE HG13 . . 3.990 3.832 3.801 3.868 . 0 0 "[ . 1 . 2]" 1
820 1 73 ILE HA 1 73 ILE MG . . 3.190 2.249 2.174 2.366 . 0 0 "[ . 1 . 2]" 1
821 1 73 ILE HA 1 74 ARG H . . 2.770 2.285 2.223 2.329 . 0 0 "[ . 1 . 2]" 1
822 1 73 ILE HB 1 73 ILE MD . . 3.650 3.194 3.175 3.216 . 0 0 "[ . 1 . 2]" 1
823 1 73 ILE HB 1 74 ARG H . . 4.510 4.516 4.464 4.541 0.031 8 0 "[ . 1 . 2]" 1
824 1 73 ILE MD 1 74 ARG H . . 4.270 4.118 3.987 4.275 0.005 15 0 "[ . 1 . 2]" 1
825 1 73 ILE HG13 1 73 ILE MG . . 3.630 2.481 2.355 2.569 . 0 0 "[ . 1 . 2]" 1
826 1 73 ILE MG 1 74 ARG H . . 3.540 3.504 3.260 3.590 0.050 7 0 "[ . 1 . 2]" 1
827 1 73 ILE MG 1 77 SER H . . 4.360 4.299 3.937 4.393 0.033 6 0 "[ . 1 . 2]" 1
828 1 73 ILE MG 1 77 SER HB3 . . 3.220 3.212 2.369 3.473 0.253 8 0 "[ . 1 . 2]" 1
829 1 74 ARG H 1 74 ARG HB3 . . 3.400 3.061 2.461 3.584 0.184 13 0 "[ . 1 . 2]" 1
830 1 74 ARG HA 1 74 ARG HD3 . . 5.040 4.341 3.156 5.205 0.165 10 0 "[ . 1 . 2]" 1
831 1 74 ARG HA 1 75 LEU H . . 2.880 2.561 2.427 2.690 . 0 0 "[ . 1 . 2]" 1
832 1 74 ARG HB3 1 75 LEU H . . 4.260 3.041 2.116 3.846 . 0 0 "[ . 1 . 2]" 1
833 1 75 LEU H 1 75 LEU HB3 . . 3.710 3.515 3.284 3.597 . 0 0 "[ . 1 . 2]" 1
834 1 75 LEU H 1 75 LEU MD2 . . 3.990 3.247 2.778 4.009 0.019 10 0 "[ . 1 . 2]" 1
835 1 75 LEU H 1 75 LEU HG . . 3.440 2.219 1.919 3.351 . 0 0 "[ . 1 . 2]" 1
836 1 75 LEU HA 1 75 LEU MD1 . . 4.120 3.921 3.755 4.011 . 0 0 "[ . 1 . 2]" 1
837 1 75 LEU HA 1 75 LEU MD2 . . 3.220 2.153 1.923 2.591 . 0 0 "[ . 1 . 2]" 1
838 1 75 LEU HA 1 76 GLY H . . 2.800 2.384 2.322 2.466 . 0 0 "[ . 1 . 2]" 1
839 1 75 LEU HB3 1 75 LEU MD1 . . 3.590 2.439 2.224 2.649 . 0 0 "[ . 1 . 2]" 1
840 1 75 LEU HB3 1 75 LEU MD2 . . 3.550 2.392 2.136 2.479 . 0 0 "[ . 1 . 2]" 1
841 1 75 LEU HB3 1 76 GLY H . . 4.270 2.791 2.538 3.110 . 0 0 "[ . 1 . 2]" 1
842 1 75 LEU MD2 1 76 GLY H . . 4.100 3.520 1.913 4.052 . 0 0 "[ . 1 . 2]" 1
843 1 76 GLY H 1 77 SER H . . 3.660 2.704 2.486 3.087 . 0 0 "[ . 1 . 2]" 1
844 1 77 SER H 1 77 SER HB3 . . 3.450 3.429 2.365 3.803 0.353 2 0 "[ . 1 . 2]" 1
845 1 77 SER HA 1 78 LEU H . . 2.730 2.264 2.217 2.352 . 0 0 "[ . 1 . 2]" 1
846 1 77 SER HB3 1 78 LEU H . . 4.140 3.553 3.090 4.309 0.169 10 0 "[ . 1 . 2]" 1
847 1 77 SER HB3 1 79 ILE MG . . 4.230 3.835 3.484 4.274 0.044 20 0 "[ . 1 . 2]" 1
848 1 78 LEU H 1 78 LEU HB3 . . 3.220 3.203 3.136 3.270 0.050 2 0 "[ . 1 . 2]" 1
849 1 78 LEU H 1 78 LEU MD1 . . 4.150 4.092 3.979 4.181 0.031 16 0 "[ . 1 . 2]" 1
850 1 78 LEU H 1 78 LEU MD2 . . 4.050 4.036 3.980 4.074 0.024 14 0 "[ . 1 . 2]" 1
851 1 78 LEU H 1 78 LEU HG . . 4.160 3.571 3.364 3.716 . 0 0 "[ . 1 . 2]" 1
852 1 78 LEU HA 1 78 LEU MD1 . . 3.840 3.758 3.746 3.766 . 0 0 "[ . 1 . 2]" 1
853 1 78 LEU HA 1 78 LEU MD2 . . 2.870 1.946 1.912 1.988 . 0 0 "[ . 1 . 2]" 1
854 1 78 LEU HA 1 78 LEU HG . . 3.750 2.679 2.591 2.744 . 0 0 "[ . 1 . 2]" 1
855 1 78 LEU HA 1 79 ILE H . . 2.940 2.179 2.175 2.197 . 0 0 "[ . 1 . 2]" 1
856 1 78 LEU HA 1 79 ILE MG . . 4.290 3.696 3.436 4.024 . 0 0 "[ . 1 . 2]" 1
857 1 78 LEU HA 1 80 GLY H . . 4.080 3.503 3.208 3.673 . 0 0 "[ . 1 . 2]" 1
858 1 78 LEU HB3 1 78 LEU MD1 . . 3.150 2.290 2.179 2.384 . 0 0 "[ . 1 . 2]" 1
859 1 78 LEU HB3 1 78 LEU MD2 . . 3.490 2.509 2.473 2.543 . 0 0 "[ . 1 . 2]" 1
860 1 78 LEU HB3 1 79 ILE H . . 4.930 3.835 3.641 4.041 . 0 0 "[ . 1 . 2]" 1
861 1 78 LEU MD2 1 79 ILE H . . 3.410 2.390 2.155 2.666 . 0 0 "[ . 1 . 2]" 1
862 1 78 LEU MD2 1 80 GLY H . . 3.370 2.357 2.158 2.715 . 0 0 "[ . 1 . 2]" 1
863 1 79 ILE H 1 79 ILE MD . . 4.210 3.814 3.719 3.906 . 0 0 "[ . 1 . 2]" 1
864 1 79 ILE H 1 79 ILE HG13 . . 3.450 2.855 2.489 3.192 . 0 0 "[ . 1 . 2]" 1
865 1 79 ILE H 1 79 ILE MG . . 3.440 2.701 2.505 2.993 . 0 0 "[ . 1 . 2]" 1
866 1 79 ILE H 1 80 GLY H . . 3.110 1.925 1.883 2.009 . 0 0 "[ . 1 . 2]" 1
867 1 79 ILE HA 1 79 ILE MG . . 2.960 2.332 2.135 2.449 . 0 0 "[ . 1 . 2]" 1
868 1 79 ILE HB 1 79 ILE MD . . 3.230 2.334 2.282 2.440 . 0 0 "[ . 1 . 2]" 1
869 1 79 ILE MD 1 80 GLY H . . 4.520 4.170 3.995 4.528 0.008 20 0 "[ . 1 . 2]" 1
870 1 79 ILE HG13 1 80 GLY H . . 3.800 2.587 2.264 2.990 . 0 0 "[ . 1 . 2]" 1
871 1 79 ILE MG 1 80 GLY H . . 4.320 4.035 3.851 4.171 . 0 0 "[ . 1 . 2]" 1
872 1 80 GLY HA2 1 81 LEU H . . 3.220 2.348 2.342 2.372 . 0 0 "[ . 1 . 2]" 1
873 1 80 GLY HA3 1 81 LEU H . . 3.250 2.941 2.906 2.950 . 0 0 "[ . 1 . 2]" 1
874 1 81 LEU HA 1 81 LEU MD1 . . 3.270 2.747 2.502 3.314 0.044 1 0 "[ . 1 . 2]" 1
875 1 81 LEU HA 1 81 LEU MD2 . . 3.610 2.522 2.178 3.351 . 0 0 "[ . 1 . 2]" 1
876 1 81 LEU HA 1 81 LEU HG . . 4.150 3.314 2.111 3.724 . 0 0 "[ . 1 . 2]" 1
877 1 81 LEU HA 1 82 ILE H . . 2.820 2.255 2.197 2.400 . 0 0 "[ . 1 . 2]" 1
878 1 81 LEU MD1 1 82 ILE H . . 4.230 2.532 1.872 4.240 0.010 10 0 "[ . 1 . 2]" 1
879 1 81 LEU MD2 1 82 ILE H . . 3.810 3.035 2.331 3.368 . 0 0 "[ . 1 . 2]" 1
880 1 81 LEU HG 1 82 ILE H . . 4.610 4.035 2.650 4.598 . 0 0 "[ . 1 . 2]" 1
881 1 82 ILE H 1 82 ILE HB . . 3.380 2.336 2.223 2.513 . 0 0 "[ . 1 . 2]" 1
882 1 82 ILE H 1 82 ILE MD . . 4.330 3.980 3.681 4.304 . 0 0 "[ . 1 . 2]" 1
883 1 82 ILE H 1 82 ILE MG . . 4.090 3.580 3.497 3.736 . 0 0 "[ . 1 . 2]" 1
884 1 82 ILE HA 1 82 ILE MD . . 3.790 3.751 3.706 3.791 0.001 15 0 "[ . 1 . 2]" 1
885 1 82 ILE HA 1 82 ILE HG13 . . 3.200 2.673 2.430 3.018 . 0 0 "[ . 1 . 2]" 1
886 1 82 ILE HA 1 82 ILE MG . . 3.240 2.622 2.434 2.692 . 0 0 "[ . 1 . 2]" 1
887 1 82 ILE HA 1 83 VAL H . . 2.880 2.335 2.260 2.407 . 0 0 "[ . 1 . 2]" 1
888 1 82 ILE HA 1 83 VAL MG2 . . 4.190 3.383 3.101 3.683 . 0 0 "[ . 1 . 2]" 1
889 1 82 ILE HB 1 82 ILE MD . . 3.130 2.313 2.208 2.476 . 0 0 "[ . 1 . 2]" 1
890 1 82 ILE MD 1 83 VAL H . . 4.640 4.642 4.422 4.817 0.177 15 0 "[ . 1 . 2]" 1
891 1 82 ILE HG13 1 82 ILE MG . . 3.630 3.232 3.213 3.241 . 0 0 "[ . 1 . 2]" 1
892 1 82 ILE MG 1 83 VAL H . . 3.100 2.079 1.911 2.473 . 0 0 "[ . 1 . 2]" 1
893 1 82 ILE MG 1 83 VAL HA . . 4.000 3.298 3.134 3.555 . 0 0 "[ . 1 . 2]" 1
894 1 82 ILE MG 1 84 GLU HA . . 4.420 3.941 3.814 4.077 . 0 0 "[ . 1 . 2]" 1
895 1 83 VAL H 1 83 VAL HB . . 3.850 3.751 3.666 3.811 . 0 0 "[ . 1 . 2]" 1
896 1 83 VAL H 1 83 VAL MG1 . . 3.370 3.172 2.946 3.388 0.018 17 0 "[ . 1 . 2]" 1
897 1 83 VAL H 1 83 VAL MG2 . . 3.080 2.064 1.919 2.222 . 0 0 "[ . 1 . 2]" 1
898 1 83 VAL HA 1 84 GLU H . . 3.170 2.223 2.207 2.279 . 0 0 "[ . 1 . 2]" 1
899 1 83 VAL HB 1 84 GLU H . . 3.290 3.229 3.023 3.300 0.010 13 0 "[ . 1 . 2]" 1
900 1 83 VAL MG1 1 84 GLU H . . 4.130 3.838 3.572 4.016 . 0 0 "[ . 1 . 2]" 1
901 1 83 VAL MG1 1 89 TRP HA . . 3.330 3.176 2.853 3.327 . 0 0 "[ . 1 . 2]" 1
902 1 83 VAL MG2 1 84 GLU H . . 4.310 4.118 3.948 4.240 . 0 0 "[ . 1 . 2]" 1
903 1 83 VAL MG2 1 89 TRP HA . . 3.510 2.521 2.102 3.097 . 0 0 "[ . 1 . 2]" 1
904 1 83 VAL MG2 1 89 TRP HB3 . . 4.030 2.151 1.972 2.516 . 0 0 "[ . 1 . 2]" 1
905 1 84 GLU H 1 84 GLU HB3 . . 3.450 3.539 3.364 3.571 0.121 4 0 "[ . 1 . 2]" 1
906 1 84 GLU H 1 85 GLU H . . 4.490 4.543 4.454 4.604 0.114 16 0 "[ . 1 . 2]" 1
907 1 84 GLU HA 1 85 GLU H . . 2.770 2.213 2.202 2.235 . 0 0 "[ . 1 . 2]" 1
908 1 84 GLU HA 1 85 GLU HA . . 4.220 4.311 4.286 4.355 0.135 13 0 "[ . 1 . 2]" 1
909 1 85 GLU H 1 85 GLU HB3 . . 3.940 3.305 2.184 3.567 . 0 0 "[ . 1 . 2]" 1
910 1 85 GLU HA 1 86 GLY H . . 2.730 2.246 2.203 2.378 . 0 0 "[ . 1 . 2]" 1
911 1 85 GLU HA 1 87 GLU H . . 4.490 4.129 3.276 4.482 . 0 0 "[ . 1 . 2]" 1
912 1 85 GLU HB3 1 86 GLY H . . 4.160 3.621 2.901 4.352 0.192 12 0 "[ . 1 . 2]" 1
913 1 86 GLY H 1 87 GLU H . . 4.030 3.015 2.104 3.477 . 0 0 "[ . 1 . 2]" 1
914 1 87 GLU H 1 87 GLU HG3 . . 4.030 3.777 3.129 4.369 0.339 3 0 "[ . 1 . 2]" 1
915 1 87 GLU HA 1 87 GLU HG3 . . 3.540 3.225 2.208 3.711 0.171 5 0 "[ . 1 . 2]" 1
916 1 87 GLU HA 1 88 ASP H . . 3.350 2.383 2.204 2.838 . 0 0 "[ . 1 . 2]" 1
917 1 88 ASP H 1 88 ASP HB3 . . 3.860 3.360 2.598 3.865 0.005 19 0 "[ . 1 . 2]" 1
918 1 88 ASP HA 1 89 TRP H . . 2.880 2.382 2.292 2.644 . 0 0 "[ . 1 . 2]" 1
919 1 89 TRP H 1 89 TRP HB3 . . 3.900 2.433 2.255 2.629 . 0 0 "[ . 1 . 2]" 1
920 1 89 TRP H 1 89 TRP HD1 . . 3.650 2.678 2.530 2.954 . 0 0 "[ . 1 . 2]" 1
921 1 89 TRP H 1 90 LYS H . . 3.670 2.593 2.241 2.886 . 0 0 "[ . 1 . 2]" 1
922 1 89 TRP HA 1 89 TRP HB3 . . 3.020 2.496 2.462 2.561 . 0 0 "[ . 1 . 2]" 1
923 1 89 TRP HA 1 89 TRP HE3 . . 4.000 3.917 3.733 4.003 0.003 19 0 "[ . 1 . 2]" 1
924 1 89 TRP HB3 1 89 TRP HE3 . . 3.740 4.105 4.070 4.141 0.401 16 0 "[ . 1 . 2]" 1
925 1 89 TRP HE3 1 90 LYS HA . . 3.910 2.986 2.623 3.522 . 0 0 "[ . 1 . 2]" 1
926 1 89 TRP HH2 1 90 LYS HA . . 5.150 4.402 3.930 5.107 . 0 0 "[ . 1 . 2]" 1
927 1 90 LYS H 1 90 LYS HB3 . . 3.540 2.977 2.193 3.238 . 0 0 "[ . 1 . 2]" 1
928 1 91 HIS HA 1 91 HIS HD2 . . 4.580 3.260 1.985 4.574 . 0 0 "[ . 1 . 2]" 1
929 1 92 VAL H 1 92 VAL HB . . 3.750 2.749 2.287 3.763 0.013 20 0 "[ . 1 . 2]" 1
930 1 92 VAL H 1 92 VAL MG2 . . 3.810 2.917 1.951 3.770 . 0 0 "[ . 1 . 2]" 1
931 1 92 VAL HA 1 92 VAL MG2 . . 3.030 2.383 2.176 3.204 0.174 9 0 "[ . 1 . 2]" 1
932 1 92 VAL MG1 1 93 SER H . . 4.710 3.335 2.631 4.055 . 0 0 "[ . 1 . 2]" 1
933 1 94 GLY HA2 1 95 PRO HD3 . . 3.270 2.264 1.950 2.642 . 0 0 "[ . 1 . 2]" 1
934 1 94 GLY HA3 1 95 PRO HD3 . . 3.560 2.822 2.396 3.277 . 0 0 "[ . 1 . 2]" 1
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