NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405756 |
1x6d   |
10242 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x6d
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 1409
_Distance_constraint_stats_list.Viol_count 2731
_Distance_constraint_stats_list.Viol_total 3780.199
_Distance_constraint_stats_list.Viol_max 0.943
_Distance_constraint_stats_list.Viol_rms 0.0417
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0692
_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 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.844 0.439 8 0 "[ . 1 . 2]"
1 13 LEU 1.601 0.568 5 1 "[ + 1 . 2]"
1 14 ASP 1.483 0.568 5 1 "[ + 1 . 2]"
1 15 GLY 7.026 0.408 10 0 "[ . 1 . 2]"
1 16 ILE 1.872 0.737 16 1 "[ . 1 .+ 2]"
1 17 HIS 1.061 0.737 16 1 "[ . 1 .+ 2]"
1 18 VAL 0.244 0.070 16 0 "[ . 1 . 2]"
1 19 THR 0.436 0.065 20 0 "[ . 1 . 2]"
1 20 ILE 4.681 0.226 20 0 "[ . 1 . 2]"
1 21 LEU 2.926 0.264 20 0 "[ . 1 . 2]"
1 22 HIS 3.227 0.193 14 0 "[ . 1 . 2]"
1 23 LYS 5.960 0.193 14 0 "[ . 1 . 2]"
1 24 GLU 8.525 0.918 19 3 "[ .* 1 - . +2]"
1 25 GLU 7.421 0.918 19 4 "[ . * * . +-]"
1 26 GLY 0.996 0.175 20 0 "[ . 1 . 2]"
1 27 ALA 5.638 0.818 19 3 "[ .* 1 - . +2]"
1 28 GLY 2.925 0.869 18 2 "[- . 1 . + 2]"
1 29 LEU 6.785 0.869 18 2 "[- . 1 . + 2]"
1 30 GLY 0.020 0.020 9 0 "[ . 1 . 2]"
1 31 PHE 4.202 0.388 18 0 "[ . 1 . 2]"
1 32 SER 2.979 0.556 3 1 "[ + . 1 . 2]"
1 33 LEU 3.202 0.098 14 0 "[ . 1 . 2]"
1 34 ALA 2.563 0.253 18 0 "[ . 1 . 2]"
1 35 GLY 2.419 0.506 4 1 "[ +. 1 . 2]"
1 36 GLY 0.376 0.114 18 0 "[ . 1 . 2]"
1 37 ALA 1.837 0.213 1 0 "[ . 1 . 2]"
1 38 ASP 0.022 0.022 8 0 "[ . 1 . 2]"
1 39 LEU 5.839 0.506 4 1 "[ +. 1 . 2]"
1 40 GLU 1.139 0.104 8 0 "[ . 1 . 2]"
1 41 ASN 3.046 0.240 20 0 "[ . 1 . 2]"
1 42 LYS 1.171 0.213 1 0 "[ . 1 . 2]"
1 43 VAL 2.177 0.389 18 0 "[ . 1 . 2]"
1 44 ILE 13.037 0.483 8 0 "[ . 1 . 2]"
1 45 THR 2.693 0.316 11 0 "[ . 1 . 2]"
1 46 VAL 9.803 0.537 15 1 "[ . 1 + 2]"
1 47 HIS 1.064 0.537 15 1 "[ . 1 + 2]"
1 48 ARG 1.160 0.227 15 0 "[ . 1 . 2]"
1 49 VAL 4.865 0.133 2 0 "[ . 1 . 2]"
1 50 PHE 5.473 0.556 3 1 "[ + . 1 . 2]"
1 51 PRO 1.569 0.087 12 0 "[ . 1 . 2]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 1.059 0.088 15 0 "[ . 1 . 2]"
1 54 LEU 0.671 0.149 19 0 "[ . 1 . 2]"
1 55 ALA 0.280 0.059 9 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLN 2.531 0.943 9 2 "[ . +1 - . 2]"
1 58 GLU 5.872 0.943 9 1 "[ . +1 . 2]"
1 59 GLY 4.645 0.279 19 0 "[ . 1 . 2]"
1 60 THR 1.137 0.112 9 0 "[ . 1 . 2]"
1 61 ILE 2.202 0.103 14 0 "[ . 1 . 2]"
1 62 GLN 2.567 0.097 20 0 "[ . 1 . 2]"
1 63 LYS 3.932 0.602 1 2 "[+ . 1 . -2]"
1 64 GLY 1.451 0.088 18 0 "[ . 1 . 2]"
1 65 ASN 3.526 0.522 1 2 "[+ .- 1 . 2]"
1 66 GLU 6.615 0.682 14 2 "[ . 1 +. - 2]"
1 67 VAL 4.662 0.403 14 0 "[ . 1 . 2]"
1 68 LEU 3.017 0.682 14 2 "[ . 1 +. - 2]"
1 69 SER 1.962 0.094 11 0 "[ . 1 . 2]"
1 70 ILE 4.328 0.942 13 2 "[ . 1 + . -]"
1 71 ASN 2.028 0.350 11 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 5.400 0.343 17 0 "[ . 1 . 2]"
1 74 SER 4.841 0.343 17 0 "[ . 1 . 2]"
1 75 LEU 9.288 0.483 8 0 "[ . 1 . 2]"
1 76 LYS 16.452 0.699 2 7 "[ +- ** * * * . 2]"
1 77 GLY 4.300 0.639 10 7 "[ ** ** * + - . 2]"
1 78 THR 4.177 0.126 5 0 "[ . 1 . 2]"
1 79 THR 1.558 0.134 7 0 "[ . 1 . 2]"
1 80 HIS 0.424 0.049 19 0 "[ . 1 . 2]"
1 81 HIS 0.702 0.065 8 0 "[ . 1 . 2]"
1 82 ASP 4.345 0.223 7 0 "[ . 1 . 2]"
1 83 ALA 2.364 0.359 19 0 "[ . 1 . 2]"
1 84 LEU 1.596 0.359 19 0 "[ . 1 . 2]"
1 85 ALA 3.769 0.298 19 0 "[ . 1 . 2]"
1 86 ILE 2.973 0.135 18 0 "[ . 1 . 2]"
1 87 LEU 2.836 0.100 15 0 "[ . 1 . 2]"
1 88 ARG 4.742 0.238 20 0 "[ . 1 . 2]"
1 89 GLN 2.587 0.180 19 0 "[ . 1 . 2]"
1 90 ALA 1.799 0.134 17 0 "[ . 1 . 2]"
1 91 ARG 3.888 0.665 17 2 "[ . * 1 . + 2]"
1 92 GLU 7.716 0.817 7 2 "[ . + 1 . - 2]"
1 93 PRO 1.478 0.290 7 0 "[ . 1 . 2]"
1 94 ARG 6.709 0.865 20 3 "[ . - * . +]"
1 95 GLN 1.935 0.106 20 0 "[ . 1 . 2]"
1 96 ALA 1.232 0.078 4 0 "[ . 1 . 2]"
1 97 VAL 0.947 0.073 16 0 "[ . 1 . 2]"
1 98 ILE 1.490 0.073 16 0 "[ . 1 . 2]"
1 99 VAL 2.032 0.942 13 2 "[ . 1 + . -]"
1 100 THR 1.183 0.073 16 0 "[ . 1 . 2]"
1 101 ARG 3.773 0.274 14 0 "[ . 1 . 2]"
1 102 LYS 11.547 0.522 1 2 "[+ .- 1 . 2]"
1 103 LEU 3.189 0.425 19 0 "[ . 1 . 2]"
1 104 THR 3.431 0.905 20 1 "[ . 1 . +]"
1 105 PRO 6.179 0.905 20 1 "[ . 1 . +]"
1 106 GLU 5.277 0.797 15 3 "[ -. 1 * + 2]"
1 107 ALA 0.013 0.012 9 0 "[ . 1 . 2]"
1 108 MET 1.435 0.372 16 0 "[ . 1 . 2]"
1 110 ASP 0.027 0.027 18 0 "[ . 1 . 2]"
1 111 LEU 0.030 0.013 14 0 "[ . 1 . 2]"
1 112 ASN 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 9 THR H 1 9 THR MG . . 4.760 3.510 2.079 4.017 . 0 0 "[ . 1 . 2]" 1
2 1 9 THR HA 1 9 THR MG . . 3.330 2.690 2.364 3.243 . 0 0 "[ . 1 . 2]" 1
3 1 9 THR MG 1 10 LEU H . . 4.610 3.254 2.029 4.193 . 0 0 "[ . 1 . 2]" 1
4 1 9 THR MG 1 10 LEU HA . . 4.130 3.919 3.459 4.121 . 0 0 "[ . 1 . 2]" 1
5 1 10 LEU H 1 10 LEU MD1 . . 5.150 3.780 2.500 4.487 . 0 0 "[ . 1 . 2]" 1
6 1 10 LEU H 1 10 LEU HG . . 4.270 3.673 2.116 4.297 0.027 19 0 "[ . 1 . 2]" 1
7 1 10 LEU HA 1 10 LEU MD2 . . 3.590 2.834 2.034 4.029 0.439 8 0 "[ . 1 . 2]" 1
8 1 10 LEU QB 1 10 LEU MD1 . . 2.900 2.048 1.936 2.119 . 0 0 "[ . 1 . 2]" 1
9 1 13 LEU H 1 13 LEU QD . . 4.540 3.419 2.071 4.055 . 0 0 "[ . 1 . 2]" 1
10 1 13 LEU HA 1 13 LEU HB2 . . 2.810 2.728 2.611 2.889 0.079 4 0 "[ . 1 . 2]" 1
11 1 13 LEU HA 1 13 LEU QD . . 2.630 2.089 1.888 3.116 0.486 5 0 "[ . 1 . 2]" 1
12 1 13 LEU HA 1 14 ASP H . . 2.840 2.298 2.177 2.832 . 0 0 "[ . 1 . 2]" 1
13 1 13 LEU HA 1 14 ASP QB . . 4.200 4.183 4.057 4.280 0.080 5 0 "[ . 1 . 2]" 1
14 1 13 LEU HB3 1 14 ASP H . . 4.740 3.717 2.043 4.343 . 0 0 "[ . 1 . 2]" 1
15 1 13 LEU HB3 1 14 ASP QB . . 4.380 3.864 3.263 4.948 0.568 5 1 "[ + 1 . 2]" 1
16 1 13 LEU QD 1 14 ASP QB . . 4.460 3.073 2.058 4.158 . 0 0 "[ . 1 . 2]" 1
17 1 14 ASP H 1 14 ASP QB . . 3.200 2.897 2.034 3.203 0.003 13 0 "[ . 1 . 2]" 1
18 1 14 ASP HA 1 15 GLY H . . 3.550 2.824 2.354 3.654 0.104 15 0 "[ . 1 . 2]" 1
19 1 14 ASP HA 1 16 ILE H . . 5.030 4.566 3.849 5.060 0.030 16 0 "[ . 1 . 2]" 1
20 1 14 ASP HA 1 16 ILE QG . . 4.430 3.939 3.456 4.249 . 0 0 "[ . 1 . 2]" 1
21 1 14 ASP QB 1 15 GLY H . . 3.930 3.046 1.928 4.012 0.082 8 0 "[ . 1 . 2]" 1
22 1 14 ASP QB 1 16 ILE H . . 5.320 3.164 2.010 5.001 . 0 0 "[ . 1 . 2]" 1
23 1 14 ASP QB 1 16 ILE MD . . 4.050 3.479 2.428 4.053 0.003 10 0 "[ . 1 . 2]" 1
24 1 14 ASP QB 1 16 ILE QG . . 4.360 2.432 1.862 4.030 . 0 0 "[ . 1 . 2]" 1
25 1 15 GLY H 1 16 ILE H . . 4.040 2.872 2.159 4.033 . 0 0 "[ . 1 . 2]" 1
26 1 15 GLY HA2 1 16 ILE QG . . 4.520 4.371 4.115 4.710 0.190 5 0 "[ . 1 . 2]" 1
27 1 15 GLY HA2 1 102 LYS H . . 4.790 5.098 4.766 5.198 0.408 10 0 "[ . 1 . 2]" 1
28 1 15 GLY HA3 1 16 ILE QG . . 4.990 4.272 3.992 4.609 . 0 0 "[ . 1 . 2]" 1
29 1 15 GLY HA3 1 102 LYS H . . 5.190 4.345 3.894 4.689 . 0 0 "[ . 1 . 2]" 1
30 1 16 ILE H 1 16 ILE HB . . 3.340 2.719 2.458 2.864 . 0 0 "[ . 1 . 2]" 1
31 1 16 ILE H 1 16 ILE MD . . 3.750 3.214 1.814 3.669 . 0 0 "[ . 1 . 2]" 1
32 1 16 ILE H 1 16 ILE QG . . 3.680 2.288 2.070 2.843 . 0 0 "[ . 1 . 2]" 1
33 1 16 ILE HA 1 16 ILE MD . . 3.560 2.178 1.972 3.496 . 0 0 "[ . 1 . 2]" 1
34 1 16 ILE HA 1 16 ILE QG . . 3.920 3.076 2.664 3.239 . 0 0 "[ . 1 . 2]" 1
35 1 16 ILE HA 1 16 ILE MG . . 3.200 2.226 2.123 2.357 . 0 0 "[ . 1 . 2]" 1
36 1 16 ILE HA 1 17 HIS H . . 3.410 2.233 2.177 2.382 . 0 0 "[ . 1 . 2]" 1
37 1 16 ILE HA 1 102 LYS H . . 4.830 4.477 3.441 4.847 0.017 8 0 "[ . 1 . 2]" 1
38 1 16 ILE HB 1 17 HIS H . . 4.270 4.014 3.569 4.248 . 0 0 "[ . 1 . 2]" 1
39 1 16 ILE HB 1 99 VAL MG1 . . 3.780 3.724 3.631 3.790 0.010 16 0 "[ . 1 . 2]" 1
40 1 16 ILE MD 1 17 HIS H . . 4.110 3.934 3.552 4.847 0.737 16 1 "[ . 1 .+ 2]" 1
41 1 16 ILE MD 1 101 ARG HA . . 4.140 3.243 2.451 4.201 0.061 16 0 "[ . 1 . 2]" 1
42 1 16 ILE MD 1 101 ARG HB3 . . 3.300 2.535 1.782 3.450 0.150 16 0 "[ . 1 . 2]" 1
43 1 16 ILE MD 1 101 ARG HD2 . . 3.890 2.605 1.976 4.065 0.175 16 0 "[ . 1 . 2]" 1
44 1 16 ILE MD 1 102 LYS H . . 4.900 4.490 3.729 4.906 0.006 3 0 "[ . 1 . 2]" 1
45 1 16 ILE QG 1 16 ILE MG . . 3.230 2.349 2.142 2.462 . 0 0 "[ . 1 . 2]" 1
46 1 16 ILE MG 1 17 HIS H . . 3.270 2.490 2.072 3.127 . 0 0 "[ . 1 . 2]" 1
47 1 16 ILE MG 1 18 VAL H . . 4.640 4.439 4.041 4.710 0.070 16 0 "[ . 1 . 2]" 1
48 1 16 ILE MG 1 18 VAL HA . . 4.560 4.327 3.967 4.517 . 0 0 "[ . 1 . 2]" 1
49 1 16 ILE MG 1 99 VAL HA . . 4.290 3.569 3.306 3.788 . 0 0 "[ . 1 . 2]" 1
50 1 16 ILE MG 1 99 VAL HB . . 4.390 3.867 3.506 4.270 . 0 0 "[ . 1 . 2]" 1
51 1 16 ILE MG 1 99 VAL MG1 . . 2.490 1.743 1.645 1.969 . 0 0 "[ . 1 . 2]" 1
52 1 16 ILE MG 1 100 THR H . . 4.460 3.314 2.723 3.679 . 0 0 "[ . 1 . 2]" 1
53 1 16 ILE MG 1 101 ARG HA . . 4.380 3.753 2.313 4.277 . 0 0 "[ . 1 . 2]" 1
54 1 16 ILE MG 1 101 ARG HD2 . . 4.570 3.961 3.212 4.627 0.057 4 0 "[ . 1 . 2]" 1
55 1 17 HIS H 1 17 HIS QB . . 3.790 2.696 2.438 3.203 . 0 0 "[ . 1 . 2]" 1
56 1 17 HIS H 1 99 VAL HA . . 5.100 4.697 4.377 5.071 . 0 0 "[ . 1 . 2]" 1
57 1 17 HIS H 1 99 VAL MG1 . . 4.340 3.840 3.443 4.292 . 0 0 "[ . 1 . 2]" 1
58 1 17 HIS H 1 101 ARG HA . . 4.450 3.505 2.852 4.207 . 0 0 "[ . 1 . 2]" 1
59 1 17 HIS H 1 102 LYS H . . 5.290 5.238 4.947 5.346 0.056 16 0 "[ . 1 . 2]" 1
60 1 17 HIS QB 1 18 VAL H . . 4.260 3.737 3.191 3.965 . 0 0 "[ . 1 . 2]" 1
61 1 17 HIS QB 1 60 THR MG . . 3.650 3.373 2.244 3.668 0.018 19 0 "[ . 1 . 2]" 1
62 1 17 HIS HD2 1 60 THR HB . . 4.750 4.648 4.318 4.768 0.018 11 0 "[ . 1 . 2]" 1
63 1 17 HIS HD2 1 60 THR MG . . 4.460 2.576 1.875 3.465 . 0 0 "[ . 1 . 2]" 1
64 1 18 VAL H 1 18 VAL HB . . 3.490 2.435 2.164 3.545 0.055 17 0 "[ . 1 . 2]" 1
65 1 18 VAL H 1 18 VAL QG . . 3.870 2.307 1.815 2.622 . 0 0 "[ . 1 . 2]" 1
66 1 18 VAL HA 1 18 VAL QG . . 3.120 2.127 2.017 2.388 . 0 0 "[ . 1 . 2]" 1
67 1 18 VAL HA 1 19 THR H . . 3.410 2.305 2.222 2.361 . 0 0 "[ . 1 . 2]" 1
68 1 18 VAL HA 1 98 ILE H . . 5.370 4.626 4.298 4.941 . 0 0 "[ . 1 . 2]" 1
69 1 18 VAL HA 1 99 VAL HA . . 4.100 2.905 2.062 3.302 . 0 0 "[ . 1 . 2]" 1
70 1 18 VAL HA 1 99 VAL MG1 . . 3.870 3.577 3.176 3.888 0.018 16 0 "[ . 1 . 2]" 1
71 1 18 VAL HA 1 99 VAL MG2 . . 3.550 3.455 3.276 3.567 0.017 16 0 "[ . 1 . 2]" 1
72 1 18 VAL HA 1 100 THR H . . 4.750 3.942 2.716 4.480 . 0 0 "[ . 1 . 2]" 1
73 1 18 VAL HB 1 19 THR H . . 4.350 4.011 2.772 4.322 . 0 0 "[ . 1 . 2]" 1
74 1 18 VAL QG 1 19 THR H . . 3.430 2.316 1.932 3.280 . 0 0 "[ . 1 . 2]" 1
75 1 18 VAL QG 1 20 ILE H . . 4.460 3.701 3.353 4.090 . 0 0 "[ . 1 . 2]" 1
76 1 18 VAL QG 1 20 ILE HG12 . . 3.340 2.457 1.936 3.071 . 0 0 "[ . 1 . 2]" 1
77 1 18 VAL QG 1 99 VAL HA . . 3.850 3.350 2.753 3.718 . 0 0 "[ . 1 . 2]" 1
78 1 19 THR H 1 19 THR HB . . 3.720 2.502 2.359 2.749 . 0 0 "[ . 1 . 2]" 1
79 1 19 THR H 1 19 THR MG . . 4.190 3.632 2.927 3.897 . 0 0 "[ . 1 . 2]" 1
80 1 19 THR H 1 20 ILE H . . 5.260 4.184 3.964 4.400 . 0 0 "[ . 1 . 2]" 1
81 1 19 THR H 1 98 ILE H . . 4.390 2.934 2.693 3.236 . 0 0 "[ . 1 . 2]" 1
82 1 19 THR H 1 99 VAL HA . . 4.540 3.989 3.703 4.195 . 0 0 "[ . 1 . 2]" 1
83 1 19 THR H 1 100 THR H . . 5.120 5.033 4.585 5.138 0.018 11 0 "[ . 1 . 2]" 1
84 1 19 THR HA 1 19 THR MG . . 3.290 2.602 2.210 3.036 . 0 0 "[ . 1 . 2]" 1
85 1 19 THR HA 1 20 ILE H . . 3.290 2.162 2.150 2.185 . 0 0 "[ . 1 . 2]" 1
86 1 19 THR HA 1 20 ILE HG12 . . 4.430 3.912 3.672 4.164 . 0 0 "[ . 1 . 2]" 1
87 1 19 THR HA 1 98 ILE H . . 5.250 5.098 4.517 5.295 0.045 16 0 "[ . 1 . 2]" 1
88 1 19 THR HB 1 20 ILE H . . 4.960 4.585 4.348 4.683 . 0 0 "[ . 1 . 2]" 1
89 1 19 THR HB 1 61 ILE MD . . 3.720 3.330 2.663 3.727 0.007 5 0 "[ . 1 . 2]" 1
90 1 19 THR HB 1 98 ILE H . . 4.340 3.525 2.130 4.318 . 0 0 "[ . 1 . 2]" 1
91 1 19 THR HB 1 98 ILE HB . . 3.590 3.182 2.389 3.606 0.016 6 0 "[ . 1 . 2]" 1
92 1 19 THR HB 1 98 ILE MD . . 3.740 3.513 2.748 3.805 0.065 20 0 "[ . 1 . 2]" 1
93 1 19 THR MG 1 20 ILE H . . 3.420 3.087 2.734 3.427 0.007 20 0 "[ . 1 . 2]" 1
94 1 19 THR MG 1 21 LEU H . . 4.320 3.828 3.501 4.334 0.014 9 0 "[ . 1 . 2]" 1
95 1 19 THR MG 1 61 ILE MD . . 3.010 2.286 1.750 2.815 . 0 0 "[ . 1 . 2]" 1
96 1 19 THR MG 1 61 ILE HG13 . . 3.870 2.638 2.029 3.091 . 0 0 "[ . 1 . 2]" 1
97 1 19 THR MG 1 98 ILE H . . 4.680 3.862 2.017 4.241 . 0 0 "[ . 1 . 2]" 1
98 1 19 THR MG 1 98 ILE HB . . 3.750 3.433 2.101 3.764 0.014 3 0 "[ . 1 . 2]" 1
99 1 19 THR MG 1 98 ILE MD . . 3.000 2.690 1.754 3.013 0.013 10 0 "[ . 1 . 2]" 1
100 1 20 ILE H 1 20 ILE HB . . 3.760 2.385 2.300 2.528 . 0 0 "[ . 1 . 2]" 1
101 1 20 ILE H 1 20 ILE MD . . 3.760 3.739 3.340 3.815 0.055 11 0 "[ . 1 . 2]" 1
102 1 20 ILE H 1 20 ILE HG12 . . 3.910 2.690 2.309 3.162 . 0 0 "[ . 1 . 2]" 1
103 1 20 ILE H 1 20 ILE HG13 . . 4.310 3.885 3.580 4.331 0.021 9 0 "[ . 1 . 2]" 1
104 1 20 ILE H 1 20 ILE MG . . 3.550 3.711 3.642 3.776 0.226 20 0 "[ . 1 . 2]" 1
105 1 20 ILE H 1 21 LEU MD1 . . 4.250 3.968 3.523 4.265 0.015 17 0 "[ . 1 . 2]" 1
106 1 20 ILE HA 1 20 ILE MD . . 3.570 1.956 1.897 1.998 . 0 0 "[ . 1 . 2]" 1
107 1 20 ILE HA 1 20 ILE HG12 . . 3.740 2.914 2.792 3.155 . 0 0 "[ . 1 . 2]" 1
108 1 20 ILE HA 1 20 ILE HG13 . . 3.840 3.699 3.598 3.769 . 0 0 "[ . 1 . 2]" 1
109 1 20 ILE HA 1 20 ILE MG . . 3.120 2.458 2.356 2.605 . 0 0 "[ . 1 . 2]" 1
110 1 20 ILE HA 1 21 LEU H . . 3.400 2.186 2.177 2.190 . 0 0 "[ . 1 . 2]" 1
111 1 20 ILE HB 1 21 LEU H . . 4.950 4.502 4.340 4.576 . 0 0 "[ . 1 . 2]" 1
112 1 20 ILE MD 1 20 ILE MG . . 2.630 1.976 1.893 2.101 . 0 0 "[ . 1 . 2]" 1
113 1 20 ILE MD 1 21 LEU H . . 4.230 3.595 3.379 3.754 . 0 0 "[ . 1 . 2]" 1
114 1 20 ILE MD 1 95 GLN HE22 . . 4.530 2.474 2.105 2.944 . 0 0 "[ . 1 . 2]" 1
115 1 20 ILE HG12 1 20 ILE MG . . 3.260 3.236 3.223 3.241 . 0 0 "[ . 1 . 2]" 1
116 1 20 ILE HG13 1 20 ILE MG . . 3.100 2.426 2.280 2.510 . 0 0 "[ . 1 . 2]" 1
117 1 20 ILE MG 1 21 LEU H . . 3.370 3.129 2.747 3.246 . 0 0 "[ . 1 . 2]" 1
118 1 20 ILE MG 1 22 HIS H . . 4.340 4.291 4.009 4.394 0.054 15 0 "[ . 1 . 2]" 1
119 1 20 ILE MG 1 22 HIS HD2 . . 4.370 3.974 3.434 4.377 0.007 14 0 "[ . 1 . 2]" 1
120 1 20 ILE MG 1 22 HIS HE1 . . 3.860 2.379 2.060 2.865 . 0 0 "[ . 1 . 2]" 1
121 1 20 ILE MG 1 95 GLN HB3 . . 4.330 4.367 4.342 4.436 0.106 20 0 "[ . 1 . 2]" 1
122 1 20 ILE MG 1 95 GLN HE21 . . 4.380 3.141 1.729 3.682 . 0 0 "[ . 1 . 2]" 1
123 1 20 ILE MG 1 95 GLN HE22 . . 5.110 3.292 2.866 3.627 . 0 0 "[ . 1 . 2]" 1
124 1 20 ILE MG 1 95 GLN QG . . 3.250 2.133 1.909 2.354 . 0 0 "[ . 1 . 2]" 1
125 1 20 ILE MG 1 96 ALA H . . 4.720 3.905 3.472 4.304 . 0 0 "[ . 1 . 2]" 1
126 1 21 LEU H 1 21 LEU HB2 . . 4.110 2.310 2.117 2.623 . 0 0 "[ . 1 . 2]" 1
127 1 21 LEU H 1 21 LEU HB3 . . 3.990 3.433 3.168 3.733 . 0 0 "[ . 1 . 2]" 1
128 1 21 LEU H 1 21 LEU MD1 . . 4.060 3.249 2.997 3.920 . 0 0 "[ . 1 . 2]" 1
129 1 21 LEU H 1 21 LEU MD2 . . 4.000 3.108 2.203 4.050 0.050 18 0 "[ . 1 . 2]" 1
130 1 21 LEU H 1 95 GLN HA . . 5.290 4.387 4.161 4.680 . 0 0 "[ . 1 . 2]" 1
131 1 21 LEU H 1 95 GLN QG . . 5.310 3.070 2.715 3.468 . 0 0 "[ . 1 . 2]" 1
132 1 21 LEU H 1 96 ALA H . . 3.960 2.697 2.525 2.850 . 0 0 "[ . 1 . 2]" 1
133 1 21 LEU H 1 96 ALA MB . . 3.810 3.577 3.218 3.830 0.020 12 0 "[ . 1 . 2]" 1
134 1 21 LEU HB2 1 21 LEU MD2 . . 3.660 2.148 2.012 2.281 . 0 0 "[ . 1 . 2]" 1
135 1 21 LEU HB2 1 22 HIS H . . 4.530 4.410 4.235 4.587 0.057 6 0 "[ . 1 . 2]" 1
136 1 21 LEU HB2 1 96 ALA H . . 4.480 3.232 2.872 3.668 . 0 0 "[ . 1 . 2]" 1
137 1 21 LEU HB3 1 21 LEU MD2 . . 2.930 2.861 2.492 3.194 0.264 20 0 "[ . 1 . 2]" 1
138 1 21 LEU HB3 1 22 HIS H . . 4.300 3.490 3.154 3.796 . 0 0 "[ . 1 . 2]" 1
139 1 21 LEU MD1 1 22 HIS H . . 3.660 3.433 3.068 3.664 0.004 18 0 "[ . 1 . 2]" 1
140 1 21 LEU MD1 1 54 LEU HA . . 4.220 4.096 3.737 4.242 0.022 6 0 "[ . 1 . 2]" 1
141 1 21 LEU MD1 1 55 ALA HA . . 3.670 2.986 2.582 3.671 0.001 20 0 "[ . 1 . 2]" 1
142 1 21 LEU MD1 1 58 GLU H . . 3.950 3.612 3.220 3.903 . 0 0 "[ . 1 . 2]" 1
143 1 21 LEU MD1 1 58 GLU HA . . 4.480 4.334 4.086 4.513 0.033 15 0 "[ . 1 . 2]" 1
144 1 21 LEU MD1 1 58 GLU HB2 . . 3.430 2.395 1.971 3.516 0.086 9 0 "[ . 1 . 2]" 1
145 1 21 LEU MD1 1 58 GLU HB3 . . 3.530 3.294 2.556 3.558 0.028 2 0 "[ . 1 . 2]" 1
146 1 21 LEU MD1 1 58 GLU QG . . 3.180 2.494 1.776 3.147 . 0 0 "[ . 1 . 2]" 1
147 1 21 LEU MD1 1 59 GLY H . . 5.300 4.935 4.694 5.230 . 0 0 "[ . 1 . 2]" 1
148 1 21 LEU MD2 1 55 ALA HA . . 4.040 2.998 1.967 4.043 0.003 13 0 "[ . 1 . 2]" 1
149 1 22 HIS H 1 22 HIS HB2 . . 3.880 2.689 2.485 2.824 . 0 0 "[ . 1 . 2]" 1
150 1 22 HIS H 1 22 HIS HB3 . . 3.760 3.685 3.593 3.765 0.005 19 0 "[ . 1 . 2]" 1
151 1 22 HIS H 1 22 HIS HD2 . . 4.300 2.688 2.329 3.161 . 0 0 "[ . 1 . 2]" 1
152 1 22 HIS H 1 54 LEU MD2 . . 4.480 3.323 2.799 3.997 . 0 0 "[ . 1 . 2]" 1
153 1 22 HIS HA 1 23 LYS H . . 3.200 2.203 2.186 2.223 . 0 0 "[ . 1 . 2]" 1
154 1 22 HIS HA 1 95 GLN HA . . 3.780 3.044 2.745 3.339 . 0 0 "[ . 1 . 2]" 1
155 1 22 HIS HA 1 95 GLN QG . . 4.280 3.258 2.826 3.839 . 0 0 "[ . 1 . 2]" 1
156 1 22 HIS HA 1 96 ALA H . . 4.700 4.521 4.081 4.706 0.006 11 0 "[ . 1 . 2]" 1
157 1 22 HIS HB2 1 23 LYS H . . 4.220 4.361 4.252 4.413 0.193 14 0 "[ . 1 . 2]" 1
158 1 22 HIS HB3 1 22 HIS HD2 . . 3.980 3.914 3.775 3.973 . 0 0 "[ . 1 . 2]" 1
159 1 22 HIS HB3 1 23 LYS H . . 4.360 3.804 3.610 3.927 . 0 0 "[ . 1 . 2]" 1
160 1 22 HIS HE1 1 95 GLN QG . . 4.420 4.279 3.821 4.435 0.015 14 0 "[ . 1 . 2]" 1
161 1 23 LYS H 1 23 LYS QD . . 4.230 3.121 2.520 4.261 0.031 14 0 "[ . 1 . 2]" 1
162 1 23 LYS H 1 23 LYS HG2 . . 3.710 2.573 2.265 2.694 . 0 0 "[ . 1 . 2]" 1
163 1 23 LYS H 1 23 LYS HG3 . . 4.070 4.002 2.795 4.137 0.067 2 0 "[ . 1 . 2]" 1
164 1 23 LYS H 1 23 LYS QZ . . 5.080 4.187 3.094 5.031 . 0 0 "[ . 1 . 2]" 1
165 1 23 LYS H 1 94 ARG HA . . 4.300 3.717 3.512 4.077 . 0 0 "[ . 1 . 2]" 1
166 1 23 LYS H 1 94 ARG HB2 . . 5.170 5.011 4.489 5.197 0.027 1 0 "[ . 1 . 2]" 1
167 1 23 LYS H 1 95 GLN HA . . 4.230 3.043 2.788 3.312 . 0 0 "[ . 1 . 2]" 1
168 1 23 LYS HA 1 23 LYS QD . . 4.520 4.107 3.892 4.266 . 0 0 "[ . 1 . 2]" 1
169 1 23 LYS HA 1 27 ALA MB . . 3.840 3.468 3.157 3.802 . 0 0 "[ . 1 . 2]" 1
170 1 23 LYS HA 1 54 LEU MD2 . . 3.610 3.295 2.806 3.648 0.038 19 0 "[ . 1 . 2]" 1
171 1 23 LYS HB2 1 24 GLU H . . 4.040 2.389 2.047 2.576 . 0 0 "[ . 1 . 2]" 1
172 1 23 LYS HB2 1 27 ALA H . . 5.090 4.300 3.961 4.677 . 0 0 "[ . 1 . 2]" 1
173 1 23 LYS HB2 1 54 LEU MD1 . . 3.800 2.512 1.963 3.199 . 0 0 "[ . 1 . 2]" 1
174 1 23 LYS HB3 1 24 GLU H . . 3.890 3.816 3.571 3.959 0.069 19 0 "[ . 1 . 2]" 1
175 1 23 LYS HB3 1 27 ALA MB . . 3.920 3.438 3.144 3.878 . 0 0 "[ . 1 . 2]" 1
176 1 23 LYS HB3 1 54 LEU MD2 . . 3.340 3.017 2.317 3.401 0.061 19 0 "[ . 1 . 2]" 1
177 1 23 LYS QD 1 27 ALA MB . . 3.560 3.549 2.989 3.679 0.119 6 0 "[ . 1 . 2]" 1
178 1 23 LYS QD 1 29 LEU HA . . 4.640 2.571 2.334 2.769 . 0 0 "[ . 1 . 2]" 1
179 1 23 LYS QD 1 29 LEU MD2 . . 3.820 2.253 1.956 2.445 . 0 0 "[ . 1 . 2]" 1
180 1 23 LYS QD 1 29 LEU HG . . 4.400 4.310 3.536 4.440 0.040 12 0 "[ . 1 . 2]" 1
181 1 23 LYS QD 1 94 ARG HA . . 4.380 4.420 4.276 4.494 0.114 6 0 "[ . 1 . 2]" 1
182 1 23 LYS QD 1 95 GLN H . . 5.160 4.956 4.616 5.185 0.025 6 0 "[ . 1 . 2]" 1
183 1 23 LYS HE2 1 29 LEU MD1 . . 4.640 4.308 3.893 4.708 0.068 2 0 "[ . 1 . 2]" 1
184 1 23 LYS HE2 1 29 LEU MD2 . . 3.440 1.977 1.842 2.172 . 0 0 "[ . 1 . 2]" 1
185 1 23 LYS HE2 1 91 ARG HA . . 4.410 2.639 1.992 4.109 . 0 0 "[ . 1 . 2]" 1
186 1 23 LYS HE2 1 96 ALA MB . . 3.880 2.753 1.993 3.620 . 0 0 "[ . 1 . 2]" 1
187 1 23 LYS HE3 1 29 LEU MD2 . . 3.260 2.895 1.846 3.346 0.086 6 0 "[ . 1 . 2]" 1
188 1 23 LYS HE3 1 91 ARG HA . . 4.350 3.532 2.782 4.337 . 0 0 "[ . 1 . 2]" 1
189 1 23 LYS HE3 1 96 ALA MB . . 3.930 2.909 1.869 3.656 . 0 0 "[ . 1 . 2]" 1
190 1 23 LYS HG2 1 23 LYS QZ . . 4.580 2.364 1.894 3.682 . 0 0 "[ . 1 . 2]" 1
191 1 23 LYS HG2 1 94 ARG HA . . 4.120 2.629 2.326 4.084 . 0 0 "[ . 1 . 2]" 1
192 1 23 LYS HG2 1 95 GLN HA . . 4.560 4.015 2.408 4.507 . 0 0 "[ . 1 . 2]" 1
193 1 23 LYS HG3 1 23 LYS QZ . . 4.310 2.202 1.827 2.656 . 0 0 "[ . 1 . 2]" 1
194 1 23 LYS HG3 1 24 GLU H . . 5.060 3.111 2.420 3.809 . 0 0 "[ . 1 . 2]" 1
195 1 23 LYS HG3 1 94 ARG HA . . 4.380 3.719 2.518 4.228 . 0 0 "[ . 1 . 2]" 1
196 1 23 LYS QZ 1 26 GLY H . . 4.670 3.149 2.268 3.844 . 0 0 "[ . 1 . 2]" 1
197 1 23 LYS QZ 1 27 ALA H . . 4.040 3.084 1.975 3.942 . 0 0 "[ . 1 . 2]" 1
198 1 23 LYS QZ 1 27 ALA MB . . 3.750 3.358 2.761 3.773 0.023 5 0 "[ . 1 . 2]" 1
199 1 23 LYS QZ 1 29 LEU MD2 . . 4.090 2.711 1.624 3.479 . 0 0 "[ . 1 . 2]" 1
200 1 23 LYS QZ 1 91 ARG HA . . 3.810 2.095 1.732 2.971 . 0 0 "[ . 1 . 2]" 1
201 1 23 LYS QZ 1 94 ARG HA . . 3.910 2.901 2.151 3.733 . 0 0 "[ . 1 . 2]" 1
202 1 23 LYS QZ 1 96 ALA MB . . 4.410 3.454 2.642 4.367 . 0 0 "[ . 1 . 2]" 1
203 1 24 GLU H 1 24 GLU HB2 . . 3.380 2.446 2.260 3.503 0.123 6 0 "[ . 1 . 2]" 1
204 1 24 GLU H 1 24 GLU HB3 . . 3.630 3.429 2.204 3.641 0.011 14 0 "[ . 1 . 2]" 1
205 1 24 GLU H 1 24 GLU HG2 . . 3.910 3.552 2.993 3.812 . 0 0 "[ . 1 . 2]" 1
206 1 24 GLU H 1 24 GLU HG3 . . 3.530 3.237 2.857 4.177 0.647 12 3 "[ .* 1 + . -2]" 1
207 1 24 GLU H 1 27 ALA MB . . 3.310 1.808 1.760 1.919 . 0 0 "[ . 1 . 2]" 1
208 1 24 GLU HA 1 24 GLU HG2 . . 3.330 2.396 2.118 3.674 0.344 6 0 "[ . 1 . 2]" 1
209 1 24 GLU HA 1 24 GLU HG3 . . 3.530 3.234 3.099 3.453 . 0 0 "[ . 1 . 2]" 1
210 1 24 GLU HA 1 25 GLU H . . 3.150 2.539 2.388 2.597 . 0 0 "[ . 1 . 2]" 1
211 1 24 GLU HA 1 94 ARG QD . . 4.290 3.252 1.916 4.039 . 0 0 "[ . 1 . 2]" 1
212 1 24 GLU HA 1 94 ARG QG . . 3.540 2.192 1.789 3.465 . 0 0 "[ . 1 . 2]" 1
213 1 24 GLU HB2 1 25 GLU H . . 3.970 3.651 2.836 3.987 0.017 10 0 "[ . 1 . 2]" 1
214 1 24 GLU HB2 1 27 ALA H . . 4.490 4.354 4.143 4.993 0.503 12 1 "[ . 1 + . 2]" 1
215 1 24 GLU HB2 1 27 ALA MB . . 2.960 2.189 1.949 3.654 0.694 6 2 "[ .+ 1 - . 2]" 1
216 1 24 GLU HB3 1 25 GLU H . . 3.630 2.548 2.253 3.997 0.367 6 0 "[ . 1 . 2]" 1
217 1 24 GLU HB3 1 27 ALA H . . 4.820 4.796 4.447 4.869 0.049 1 0 "[ . 1 . 2]" 1
218 1 24 GLU HB3 1 27 ALA MB . . 3.420 3.186 2.377 3.452 0.032 5 0 "[ . 1 . 2]" 1
219 1 24 GLU HG2 1 25 GLU H . . 4.100 3.872 3.314 5.018 0.918 19 1 "[ . 1 . +2]" 1
220 1 24 GLU HG3 1 27 ALA MB . . 3.660 3.669 3.229 4.478 0.818 19 1 "[ . 1 . +2]" 1
221 1 25 GLU H 1 25 GLU QB . . 3.280 2.107 2.031 2.499 . 0 0 "[ . 1 . 2]" 1
222 1 25 GLU H 1 25 GLU HG3 . . 3.690 3.168 2.886 4.195 0.505 20 1 "[ . 1 . +]" 1
223 1 25 GLU H 1 94 ARG HB2 . . 5.170 5.198 4.811 5.629 0.459 17 0 "[ . 1 . 2]" 1
224 1 25 GLU H 1 94 ARG QD . . 4.180 2.676 1.918 3.497 . 0 0 "[ . 1 . 2]" 1
225 1 25 GLU H 1 94 ARG QG . . 3.970 2.552 1.896 3.216 . 0 0 "[ . 1 . 2]" 1
226 1 25 GLU HA 1 25 GLU HG2 . . 3.770 2.634 2.207 3.611 . 0 0 "[ . 1 . 2]" 1
227 1 25 GLU HA 1 25 GLU HG3 . . 3.760 2.583 2.164 3.888 0.128 10 0 "[ . 1 . 2]" 1
228 1 25 GLU HA 1 26 GLY H . . 3.000 2.223 2.202 2.234 . 0 0 "[ . 1 . 2]" 1
229 1 25 GLU HA 1 27 ALA H . . 4.070 3.777 3.561 4.054 . 0 0 "[ . 1 . 2]" 1
230 1 25 GLU HA 1 94 ARG QG . . 4.360 3.027 2.752 3.281 . 0 0 "[ . 1 . 2]" 1
231 1 25 GLU QB 1 26 GLY H . . 4.140 3.721 3.509 3.796 . 0 0 "[ . 1 . 2]" 1
232 1 25 GLU QB 1 94 ARG QD . . 3.900 3.162 2.111 3.792 . 0 0 "[ . 1 . 2]" 1
233 1 25 GLU HG2 1 26 GLY H . . 4.870 4.337 3.758 5.021 0.151 10 0 "[ . 1 . 2]" 1
234 1 25 GLU HG3 1 26 GLY H . . 4.860 4.626 4.271 5.025 0.165 8 0 "[ . 1 . 2]" 1
235 1 25 GLU HG3 1 94 ARG QD . . 3.920 2.478 1.865 4.675 0.755 10 1 "[ . + . 2]" 1
236 1 25 GLU HG3 1 94 ARG QG . . 4.150 3.059 1.983 5.015 0.865 20 3 "[ . - * . +]" 1
237 1 26 GLY H 1 27 ALA H . . 3.610 2.409 2.199 2.807 . 0 0 "[ . 1 . 2]" 1
238 1 26 GLY H 1 27 ALA MB . . 4.200 4.014 3.814 4.375 0.175 20 0 "[ . 1 . 2]" 1
239 1 26 GLY H 1 92 GLU HA . . 3.510 3.311 2.866 3.528 0.018 10 0 "[ . 1 . 2]" 1
240 1 26 GLY HA2 1 27 ALA MB . . 4.680 4.658 4.582 4.781 0.101 6 0 "[ . 1 . 2]" 1
241 1 26 GLY HA2 1 92 GLU HA . . 3.960 3.294 2.620 3.910 . 0 0 "[ . 1 . 2]" 1
242 1 27 ALA H 1 27 ALA MB . . 2.740 2.155 1.944 2.288 . 0 0 "[ . 1 . 2]" 1
243 1 27 ALA H 1 28 GLY H . . 4.510 2.280 2.084 2.585 . 0 0 "[ . 1 . 2]" 1
244 1 27 ALA H 1 28 GLY HA2 . . 4.700 4.544 4.344 4.845 0.145 12 0 "[ . 1 . 2]" 1
245 1 27 ALA MB 1 28 GLY H . . 3.200 2.839 2.758 3.106 . 0 0 "[ . 1 . 2]" 1
246 1 27 ALA MB 1 28 GLY HA2 . . 4.590 4.575 4.527 4.686 0.096 1 0 "[ . 1 . 2]" 1
247 1 28 GLY HA2 1 29 LEU H . . 3.500 2.413 2.227 2.472 . 0 0 "[ . 1 . 2]" 1
248 1 28 GLY HA3 1 29 LEU H . . 3.600 2.857 2.779 3.166 . 0 0 "[ . 1 . 2]" 1
249 1 28 GLY HA3 1 29 LEU HG . . 4.530 4.645 4.435 5.399 0.869 18 2 "[- . 1 . + 2]" 1
250 1 29 LEU H 1 29 LEU HB2 . . 3.800 2.727 2.296 2.858 . 0 0 "[ . 1 . 2]" 1
251 1 29 LEU H 1 29 LEU HB3 . . 3.810 3.595 3.512 3.656 . 0 0 "[ . 1 . 2]" 1
252 1 29 LEU H 1 29 LEU MD1 . . 3.630 3.610 3.512 3.658 0.028 10 0 "[ . 1 . 2]" 1
253 1 29 LEU H 1 29 LEU MD2 . . 3.560 2.926 2.367 3.625 0.065 18 0 "[ . 1 . 2]" 1
254 1 29 LEU H 1 29 LEU HG . . 3.510 2.070 1.926 2.534 . 0 0 "[ . 1 . 2]" 1
255 1 29 LEU H 1 30 GLY H . . 3.770 2.329 2.187 2.669 . 0 0 "[ . 1 . 2]" 1
256 1 29 LEU H 1 31 PHE H . . 4.610 3.807 3.583 4.130 . 0 0 "[ . 1 . 2]" 1
257 1 29 LEU H 1 87 LEU MD2 . . 4.980 4.054 3.822 4.403 . 0 0 "[ . 1 . 2]" 1
258 1 29 LEU HA 1 29 LEU MD1 . . 4.150 3.939 3.855 4.014 . 0 0 "[ . 1 . 2]" 1
259 1 29 LEU HA 1 29 LEU MD2 . . 2.850 2.261 1.949 2.548 . 0 0 "[ . 1 . 2]" 1
260 1 29 LEU HA 1 29 LEU HG . . 3.920 3.378 2.907 3.595 . 0 0 "[ . 1 . 2]" 1
261 1 29 LEU HA 1 31 PHE QE . . 4.370 4.362 4.313 4.399 0.029 15 0 "[ . 1 . 2]" 1
262 1 29 LEU HA 1 54 LEU MD1 . . 2.830 2.443 1.967 2.873 0.043 15 0 "[ . 1 . 2]" 1
263 1 29 LEU HA 1 96 ALA MB . . 4.280 4.043 3.146 4.303 0.023 1 0 "[ . 1 . 2]" 1
264 1 29 LEU HB2 1 29 LEU MD2 . . 3.550 3.212 3.202 3.222 . 0 0 "[ . 1 . 2]" 1
265 1 29 LEU HB2 1 30 GLY H . . 4.500 2.690 2.593 2.908 . 0 0 "[ . 1 . 2]" 1
266 1 29 LEU HB2 1 31 PHE H . . 4.290 2.455 2.320 2.729 . 0 0 "[ . 1 . 2]" 1
267 1 29 LEU HB2 1 31 PHE QE . . 3.520 2.479 2.256 2.935 . 0 0 "[ . 1 . 2]" 1
268 1 29 LEU HB2 1 31 PHE HZ . . 4.470 4.481 4.243 4.858 0.388 18 0 "[ . 1 . 2]" 1
269 1 29 LEU HB3 1 29 LEU MD1 . . 2.760 2.429 2.271 2.545 . 0 0 "[ . 1 . 2]" 1
270 1 29 LEU HB3 1 30 GLY H . . 4.660 3.946 3.510 4.157 . 0 0 "[ . 1 . 2]" 1
271 1 29 LEU HB3 1 31 PHE H . . 4.450 3.864 3.182 4.201 . 0 0 "[ . 1 . 2]" 1
272 1 29 LEU HB3 1 31 PHE QD . . 4.100 2.778 2.194 3.055 . 0 0 "[ . 1 . 2]" 1
273 1 29 LEU HB3 1 31 PHE QE . . 3.690 2.089 1.981 2.176 . 0 0 "[ . 1 . 2]" 1
274 1 29 LEU MD1 1 30 GLY H . . 5.240 4.340 4.081 4.523 . 0 0 "[ . 1 . 2]" 1
275 1 29 LEU MD1 1 31 PHE H . . 4.650 3.905 3.626 4.098 . 0 0 "[ . 1 . 2]" 1
276 1 29 LEU MD1 1 31 PHE QD . . 3.860 3.319 3.191 3.467 . 0 0 "[ . 1 . 2]" 1
277 1 29 LEU MD1 1 31 PHE QE . . 3.320 1.896 1.840 2.074 . 0 0 "[ . 1 . 2]" 1
278 1 29 LEU MD1 1 31 PHE HZ . . 3.490 2.551 2.341 2.792 . 0 0 "[ . 1 . 2]" 1
279 1 29 LEU MD1 1 87 LEU MD2 . . 2.850 1.787 1.644 2.120 . 0 0 "[ . 1 . 2]" 1
280 1 29 LEU MD1 1 96 ALA MB . . 3.010 2.679 2.114 2.993 . 0 0 "[ . 1 . 2]" 1
281 1 29 LEU MD1 1 98 ILE MD . . 2.690 2.640 2.230 2.716 0.026 1 0 "[ . 1 . 2]" 1
282 1 29 LEU MD2 1 30 GLY H . . 5.280 4.463 4.224 4.744 . 0 0 "[ . 1 . 2]" 1
283 1 29 LEU MD2 1 31 PHE H . . 4.970 5.057 4.983 5.127 0.157 12 0 "[ . 1 . 2]" 1
284 1 29 LEU MD2 1 31 PHE QE . . 4.040 3.441 2.851 3.781 . 0 0 "[ . 1 . 2]" 1
285 1 29 LEU MD2 1 96 ALA H . . 4.420 4.274 3.879 4.446 0.026 16 0 "[ . 1 . 2]" 1
286 1 29 LEU MD2 1 96 ALA MB . . 2.630 1.824 1.672 1.958 . 0 0 "[ . 1 . 2]" 1
287 1 29 LEU HG 1 30 GLY H . . 5.060 3.780 3.510 4.559 . 0 0 "[ . 1 . 2]" 1
288 1 29 LEU HG 1 31 PHE H . . 5.210 4.370 4.042 5.204 . 0 0 "[ . 1 . 2]" 1
289 1 29 LEU HG 1 31 PHE QE . . 4.080 3.869 3.690 4.067 . 0 0 "[ . 1 . 2]" 1
290 1 29 LEU HG 1 87 LEU MD2 . . 3.290 2.824 2.460 3.273 . 0 0 "[ . 1 . 2]" 1
291 1 30 GLY H 1 31 PHE H . . 3.350 2.058 1.933 2.207 . 0 0 "[ . 1 . 2]" 1
292 1 30 GLY H 1 55 ALA H . . 5.180 4.904 4.304 5.200 0.020 9 0 "[ . 1 . 2]" 1
293 1 30 GLY HA2 1 50 PHE HB2 . . 4.390 3.030 2.743 3.249 . 0 0 "[ . 1 . 2]" 1
294 1 30 GLY HA2 1 50 PHE HB3 . . 4.460 4.265 4.004 4.446 . 0 0 "[ . 1 . 2]" 1
295 1 30 GLY HA2 1 50 PHE QD . . 3.680 2.133 1.986 2.439 . 0 0 "[ . 1 . 2]" 1
296 1 30 GLY HA2 1 55 ALA MB . . 4.800 4.485 3.929 4.722 . 0 0 "[ . 1 . 2]" 1
297 1 30 GLY HA3 1 50 PHE QD . . 4.200 3.666 3.463 3.969 . 0 0 "[ . 1 . 2]" 1
298 1 30 GLY HA3 1 54 LEU H . . 4.440 2.563 2.337 2.864 . 0 0 "[ . 1 . 2]" 1
299 1 30 GLY HA3 1 55 ALA MB . . 4.340 3.160 2.649 3.457 . 0 0 "[ . 1 . 2]" 1
300 1 31 PHE H 1 31 PHE QD . . 4.070 2.124 1.960 2.326 . 0 0 "[ . 1 . 2]" 1
301 1 31 PHE H 1 50 PHE QE . . 4.770 4.463 4.184 4.777 0.007 20 0 "[ . 1 . 2]" 1
302 1 31 PHE H 1 55 ALA MB . . 4.500 3.308 2.708 3.764 . 0 0 "[ . 1 . 2]" 1
303 1 31 PHE H 1 87 LEU MD2 . . 4.670 4.530 4.304 4.678 0.008 18 0 "[ . 1 . 2]" 1
304 1 31 PHE HA 1 31 PHE QD . . 4.250 3.746 3.736 3.754 . 0 0 "[ . 1 . 2]" 1
305 1 31 PHE HA 1 32 SER H . . 3.410 2.529 2.479 2.613 . 0 0 "[ . 1 . 2]" 1
306 1 31 PHE HA 1 49 VAL H . . 5.180 4.844 4.678 5.072 . 0 0 "[ . 1 . 2]" 1
307 1 31 PHE HA 1 49 VAL HA . . 3.790 2.378 2.193 2.606 . 0 0 "[ . 1 . 2]" 1
308 1 31 PHE HA 1 49 VAL MG1 . . 3.840 3.724 3.541 3.849 0.009 3 0 "[ . 1 . 2]" 1
309 1 31 PHE HA 1 50 PHE H . . 4.080 2.563 2.444 2.710 . 0 0 "[ . 1 . 2]" 1
310 1 31 PHE HB2 1 32 SER H . . 3.710 2.535 2.379 2.611 . 0 0 "[ . 1 . 2]" 1
311 1 31 PHE HB2 1 46 VAL MG1 . . 3.350 2.386 2.135 2.511 . 0 0 "[ . 1 . 2]" 1
312 1 31 PHE HB2 1 46 VAL MG2 . . 4.430 4.218 3.923 4.451 0.021 11 0 "[ . 1 . 2]" 1
313 1 31 PHE HB2 1 49 VAL HA . . 4.240 2.694 2.566 2.831 . 0 0 "[ . 1 . 2]" 1
314 1 31 PHE HB2 1 49 VAL MG1 . . 4.140 3.379 3.033 3.624 . 0 0 "[ . 1 . 2]" 1
315 1 31 PHE HB2 1 49 VAL MG2 . . 3.780 2.424 2.218 2.672 . 0 0 "[ . 1 . 2]" 1
316 1 31 PHE HB2 1 50 PHE H . . 4.810 4.366 4.191 4.524 . 0 0 "[ . 1 . 2]" 1
317 1 31 PHE HB2 1 55 ALA MB . . 4.150 3.425 3.154 3.660 . 0 0 "[ . 1 . 2]" 1
318 1 31 PHE HB2 1 61 ILE MG . . 4.500 3.419 3.238 3.639 . 0 0 "[ . 1 . 2]" 1
319 1 31 PHE HB3 1 32 SER H . . 3.930 3.936 3.832 3.978 0.048 15 0 "[ . 1 . 2]" 1
320 1 31 PHE HB3 1 46 VAL MG1 . . 3.530 3.501 3.229 3.574 0.044 18 0 "[ . 1 . 2]" 1
321 1 31 PHE HB3 1 49 VAL HA . . 3.940 2.784 2.625 2.953 . 0 0 "[ . 1 . 2]" 1
322 1 31 PHE HB3 1 49 VAL MG1 . . 3.750 2.592 2.105 2.833 . 0 0 "[ . 1 . 2]" 1
323 1 31 PHE HB3 1 49 VAL MG2 . . 3.600 2.973 2.709 3.218 . 0 0 "[ . 1 . 2]" 1
324 1 31 PHE HB3 1 55 ALA MB . . 3.790 2.144 1.877 2.381 . 0 0 "[ . 1 . 2]" 1
325 1 31 PHE QD 1 32 SER H . . 4.200 3.046 2.846 3.190 . 0 0 "[ . 1 . 2]" 1
326 1 31 PHE QD 1 33 LEU MD2 . . 3.500 2.959 2.792 3.069 . 0 0 "[ . 1 . 2]" 1
327 1 31 PHE QD 1 46 VAL HA . . 4.010 3.109 2.930 3.305 . 0 0 "[ . 1 . 2]" 1
328 1 31 PHE QD 1 46 VAL MG1 . . 3.380 2.073 1.950 2.261 . 0 0 "[ . 1 . 2]" 1
329 1 31 PHE QD 1 46 VAL MG2 . . 3.620 2.997 2.829 3.175 . 0 0 "[ . 1 . 2]" 1
330 1 31 PHE QD 1 49 VAL MG1 . . 4.360 4.147 3.935 4.348 . 0 0 "[ . 1 . 2]" 1
331 1 31 PHE QD 1 49 VAL MG2 . . 3.750 3.743 3.522 3.786 0.036 15 0 "[ . 1 . 2]" 1
332 1 31 PHE QD 1 55 ALA H . . 5.240 3.726 3.485 3.922 . 0 0 "[ . 1 . 2]" 1
333 1 31 PHE QD 1 55 ALA MB . . 3.070 2.170 1.782 2.517 . 0 0 "[ . 1 . 2]" 1
334 1 31 PHE QD 1 61 ILE MG . . 3.780 2.914 2.736 3.080 . 0 0 "[ . 1 . 2]" 1
335 1 31 PHE QE 1 33 LEU MD1 . . 4.210 4.088 3.863 4.218 0.008 13 0 "[ . 1 . 2]" 1
336 1 31 PHE QE 1 33 LEU MD2 . . 3.060 2.038 1.863 2.213 . 0 0 "[ . 1 . 2]" 1
337 1 31 PHE QE 1 46 VAL MG2 . . 3.600 3.185 2.962 3.349 . 0 0 "[ . 1 . 2]" 1
338 1 31 PHE QE 1 61 ILE MD . . 3.620 2.925 2.449 3.406 . 0 0 "[ . 1 . 2]" 1
339 1 31 PHE QE 1 61 ILE MG . . 4.680 3.154 2.950 3.394 . 0 0 "[ . 1 . 2]" 1
340 1 31 PHE QE 1 67 VAL MG1 . . 4.150 3.508 3.314 3.689 . 0 0 "[ . 1 . 2]" 1
341 1 31 PHE QE 1 67 VAL MG2 . . 3.540 2.940 2.559 3.462 . 0 0 "[ . 1 . 2]" 1
342 1 31 PHE QE 1 70 ILE MD . . 3.950 2.632 2.372 3.024 . 0 0 "[ . 1 . 2]" 1
343 1 31 PHE QE 1 87 LEU MD2 . . 3.540 3.437 3.200 3.557 0.017 15 0 "[ . 1 . 2]" 1
344 1 31 PHE QE 1 98 ILE MD . . 3.390 2.550 2.217 2.752 . 0 0 "[ . 1 . 2]" 1
345 1 31 PHE HZ 1 67 VAL MG1 . . 4.180 4.097 3.754 4.195 0.015 12 0 "[ . 1 . 2]" 1
346 1 31 PHE HZ 1 70 ILE MD . . 3.630 2.262 1.900 3.028 . 0 0 "[ . 1 . 2]" 1
347 1 31 PHE HZ 1 87 LEU MD2 . . 3.480 3.378 3.060 3.499 0.019 4 0 "[ . 1 . 2]" 1
348 1 31 PHE HZ 1 98 ILE MD . . 3.390 3.125 2.704 3.353 . 0 0 "[ . 1 . 2]" 1
349 1 31 PHE HZ 1 98 ILE HG12 . . 4.460 2.066 1.979 2.372 . 0 0 "[ . 1 . 2]" 1
350 1 31 PHE HZ 1 98 ILE HG13 . . 4.180 3.583 3.341 4.008 . 0 0 "[ . 1 . 2]" 1
351 1 31 PHE HZ 1 98 ILE MG . . 3.360 2.843 2.481 3.241 . 0 0 "[ . 1 . 2]" 1
352 1 32 SER H 1 32 SER HB3 . . 4.120 2.755 2.441 3.823 . 0 0 "[ . 1 . 2]" 1
353 1 32 SER H 1 46 VAL MG1 . . 3.830 3.265 3.095 3.355 . 0 0 "[ . 1 . 2]" 1
354 1 32 SER H 1 47 HIS H . . 5.090 4.142 4.014 4.309 . 0 0 "[ . 1 . 2]" 1
355 1 32 SER H 1 48 ARG H . . 3.760 2.619 2.412 2.806 . 0 0 "[ . 1 . 2]" 1
356 1 32 SER H 1 48 ARG HB2 . . 4.940 4.493 4.326 4.993 0.053 15 0 "[ . 1 . 2]" 1
357 1 32 SER H 1 49 VAL MG1 . . 5.300 5.166 4.960 5.277 . 0 0 "[ . 1 . 2]" 1
358 1 32 SER H 1 49 VAL MG2 . . 4.860 4.101 3.903 4.318 . 0 0 "[ . 1 . 2]" 1
359 1 32 SER H 1 50 PHE H . . 5.070 4.613 4.384 4.741 . 0 0 "[ . 1 . 2]" 1
360 1 32 SER H 1 50 PHE QE . . 5.050 4.288 4.041 4.528 . 0 0 "[ . 1 . 2]" 1
361 1 32 SER H 1 50 PHE HZ . . 5.080 4.969 4.591 5.099 0.019 11 0 "[ . 1 . 2]" 1
362 1 32 SER HA 1 33 LEU H . . 3.480 2.599 2.504 2.668 . 0 0 "[ . 1 . 2]" 1
363 1 32 SER HA 1 50 PHE HZ . . 4.740 4.701 4.299 4.778 0.038 9 0 "[ . 1 . 2]" 1
364 1 32 SER HB2 1 33 LEU H . . 3.710 3.227 2.228 3.712 0.002 10 0 "[ . 1 . 2]" 1
365 1 32 SER HB2 1 50 PHE HZ . . 4.330 3.763 3.079 4.710 0.380 20 0 "[ . 1 . 2]" 1
366 1 32 SER HB3 1 33 LEU H . . 3.960 3.571 2.409 3.952 . 0 0 "[ . 1 . 2]" 1
367 1 32 SER HB3 1 50 PHE QE . . 4.190 3.672 3.057 4.746 0.556 3 1 "[ + . 1 . 2]" 1
368 1 33 LEU H 1 33 LEU HB3 . . 4.170 3.628 3.602 3.660 . 0 0 "[ . 1 . 2]" 1
369 1 33 LEU H 1 33 LEU MD2 . . 3.950 2.874 2.715 3.095 . 0 0 "[ . 1 . 2]" 1
370 1 33 LEU H 1 33 LEU HG . . 3.590 2.876 2.707 3.086 . 0 0 "[ . 1 . 2]" 1
371 1 33 LEU H 1 87 LEU MD1 . . 3.890 3.802 3.686 3.919 0.029 9 0 "[ . 1 . 2]" 1
372 1 33 LEU H 1 87 LEU MD2 . . 5.320 4.645 4.279 4.990 . 0 0 "[ . 1 . 2]" 1
373 1 33 LEU HA 1 33 LEU MD1 . . 3.910 3.571 3.489 3.648 . 0 0 "[ . 1 . 2]" 1
374 1 33 LEU HA 1 33 LEU MD2 . . 3.010 1.943 1.875 1.999 . 0 0 "[ . 1 . 2]" 1
375 1 33 LEU HA 1 34 ALA H . . 3.200 2.412 2.378 2.448 . 0 0 "[ . 1 . 2]" 1
376 1 33 LEU HA 1 34 ALA MB . . 3.900 3.701 3.677 3.720 . 0 0 "[ . 1 . 2]" 1
377 1 33 LEU HA 1 45 THR H . . 5.140 4.674 4.278 5.215 0.075 14 0 "[ . 1 . 2]" 1
378 1 33 LEU HA 1 46 VAL HA . . 4.050 3.030 2.949 3.089 . 0 0 "[ . 1 . 2]" 1
379 1 33 LEU HA 1 46 VAL MG1 . . 4.560 4.397 4.266 4.492 . 0 0 "[ . 1 . 2]" 1
380 1 33 LEU HA 1 46 VAL MG2 . . 4.490 4.524 4.488 4.559 0.069 11 0 "[ . 1 . 2]" 1
381 1 33 LEU HA 1 47 HIS H . . 4.200 2.763 2.674 2.863 . 0 0 "[ . 1 . 2]" 1
382 1 33 LEU HA 1 47 HIS HB2 . . 4.900 3.916 3.665 4.601 . 0 0 "[ . 1 . 2]" 1
383 1 33 LEU HA 1 48 ARG H . . 5.220 5.059 4.897 5.132 . 0 0 "[ . 1 . 2]" 1
384 1 33 LEU HB2 1 33 LEU MD1 . . 3.610 2.612 2.560 2.661 . 0 0 "[ . 1 . 2]" 1
385 1 33 LEU HB2 1 33 LEU MD2 . . 3.140 3.148 3.117 3.173 0.033 17 0 "[ . 1 . 2]" 1
386 1 33 LEU HB2 1 34 ALA H . . 4.060 3.755 3.627 3.898 . 0 0 "[ . 1 . 2]" 1
387 1 33 LEU HB3 1 33 LEU MD1 . . 2.580 2.205 2.072 2.245 . 0 0 "[ . 1 . 2]" 1
388 1 33 LEU HB3 1 34 ALA H . . 4.180 2.612 2.534 2.691 . 0 0 "[ . 1 . 2]" 1
389 1 33 LEU HB3 1 44 ILE HB . . 4.430 4.483 4.385 4.528 0.098 14 0 "[ . 1 . 2]" 1
390 1 33 LEU HB3 1 44 ILE MG . . 3.260 1.868 1.830 1.897 . 0 0 "[ . 1 . 2]" 1
391 1 33 LEU HB3 1 45 THR H . . 5.180 4.566 4.067 5.132 . 0 0 "[ . 1 . 2]" 1
392 1 33 LEU HB3 1 47 HIS H . . 5.360 4.930 4.874 5.018 . 0 0 "[ . 1 . 2]" 1
393 1 33 LEU MD1 1 34 ALA H . . 4.160 4.178 4.122 4.217 0.057 17 0 "[ . 1 . 2]" 1
394 1 33 LEU MD1 1 83 ALA HA . . 3.990 3.650 3.374 3.830 . 0 0 "[ . 1 . 2]" 1
395 1 33 LEU MD1 1 83 ALA MB . . 2.860 2.370 2.181 2.627 . 0 0 "[ . 1 . 2]" 1
396 1 33 LEU MD1 1 84 LEU H . . 4.400 4.346 4.198 4.445 0.045 3 0 "[ . 1 . 2]" 1
397 1 33 LEU MD1 1 84 LEU HA . . 3.670 3.615 3.281 3.694 0.024 18 0 "[ . 1 . 2]" 1
398 1 33 LEU MD2 1 34 ALA H . . 3.650 3.614 3.407 3.680 0.030 14 0 "[ . 1 . 2]" 1
399 1 33 LEU MD2 1 46 VAL HA . . 3.460 3.376 3.134 3.511 0.051 14 0 "[ . 1 . 2]" 1
400 1 33 LEU MD2 1 47 HIS H . . 4.620 3.919 3.731 4.056 . 0 0 "[ . 1 . 2]" 1
401 1 33 LEU MD2 1 48 ARG H . . 5.360 5.315 5.187 5.396 0.036 20 0 "[ . 1 . 2]" 1
402 1 33 LEU MD2 1 87 LEU MD2 . . 3.190 2.834 2.641 3.204 0.014 18 0 "[ . 1 . 2]" 1
403 1 34 ALA H 1 34 ALA MB . . 3.580 2.552 2.497 2.641 . 0 0 "[ . 1 . 2]" 1
404 1 34 ALA H 1 44 ILE HA . . 5.020 3.947 3.679 4.084 . 0 0 "[ . 1 . 2]" 1
405 1 34 ALA H 1 44 ILE MG . . 3.810 1.966 1.897 2.088 . 0 0 "[ . 1 . 2]" 1
406 1 34 ALA H 1 45 THR H . . 4.050 2.607 2.237 3.143 . 0 0 "[ . 1 . 2]" 1
407 1 34 ALA H 1 46 VAL HA . . 4.720 3.966 3.845 4.105 . 0 0 "[ . 1 . 2]" 1
408 1 34 ALA H 1 47 HIS HB2 . . 4.540 3.639 3.418 4.209 . 0 0 "[ . 1 . 2]" 1
409 1 34 ALA H 1 47 HIS HB3 . . 4.860 4.826 4.109 4.915 0.055 18 0 "[ . 1 . 2]" 1
410 1 34 ALA H 1 80 HIS HE1 . . 5.500 4.796 4.129 5.437 . 0 0 "[ . 1 . 2]" 1
411 1 34 ALA HA 1 35 GLY H . . 3.340 2.329 2.219 2.350 . 0 0 "[ . 1 . 2]" 1
412 1 34 ALA MB 1 35 GLY H . . 3.130 2.883 2.826 3.165 0.035 9 0 "[ . 1 . 2]" 1
413 1 34 ALA MB 1 41 ASN QD . . 4.370 3.771 3.191 4.232 . 0 0 "[ . 1 . 2]" 1
414 1 34 ALA MB 1 44 ILE MG . . 3.730 3.810 3.746 3.983 0.253 18 0 "[ . 1 . 2]" 1
415 1 34 ALA MB 1 45 THR H . . 3.820 3.083 2.919 3.242 . 0 0 "[ . 1 . 2]" 1
416 1 34 ALA MB 1 45 THR HB . . 4.700 3.752 3.492 3.954 . 0 0 "[ . 1 . 2]" 1
417 1 34 ALA MB 1 46 VAL HA . . 4.130 3.675 3.450 3.810 . 0 0 "[ . 1 . 2]" 1
418 1 34 ALA MB 1 47 HIS H . . 3.010 2.321 2.213 2.419 . 0 0 "[ . 1 . 2]" 1
419 1 34 ALA MB 1 47 HIS HB2 . . 2.980 1.868 1.830 1.945 . 0 0 "[ . 1 . 2]" 1
420 1 34 ALA MB 1 47 HIS HB3 . . 3.410 3.160 2.689 3.272 . 0 0 "[ . 1 . 2]" 1
421 1 34 ALA MB 1 47 HIS HD2 . . 4.330 3.658 3.068 4.315 . 0 0 "[ . 1 . 2]" 1
422 1 34 ALA MB 1 80 HIS HE1 . . 3.900 3.643 3.416 3.913 0.013 2 0 "[ . 1 . 2]" 1
423 1 35 GLY H 1 39 LEU MD2 . . 3.530 2.927 2.320 3.575 0.045 4 0 "[ . 1 . 2]" 1
424 1 35 GLY H 1 41 ASN QD . . 4.910 3.737 2.911 4.563 . 0 0 "[ . 1 . 2]" 1
425 1 35 GLY H 1 80 HIS HE1 . . 3.710 2.660 1.973 3.521 . 0 0 "[ . 1 . 2]" 1
426 1 35 GLY HA3 1 39 LEU HB2 . . 4.330 4.140 3.672 4.836 0.506 4 1 "[ +. 1 . 2]" 1
427 1 35 GLY HA3 1 39 LEU MD2 . . 3.530 3.459 3.178 3.918 0.388 18 0 "[ . 1 . 2]" 1
428 1 35 GLY HA3 1 41 ASN HB2 . . 4.440 2.827 2.017 4.489 0.049 20 0 "[ . 1 . 2]" 1
429 1 35 GLY HA3 1 41 ASN HB3 . . 4.340 3.602 2.769 4.580 0.240 20 0 "[ . 1 . 2]" 1
430 1 35 GLY HA3 1 41 ASN QD . . 4.980 2.690 1.851 3.161 . 0 0 "[ . 1 . 2]" 1
431 1 36 GLY H 1 39 LEU HB2 . . 4.760 2.181 1.931 3.545 . 0 0 "[ . 1 . 2]" 1
432 1 36 GLY H 1 44 ILE MD . . 4.380 3.524 3.121 3.944 . 0 0 "[ . 1 . 2]" 1
433 1 36 GLY HA2 1 39 LEU H . . 5.410 4.469 4.156 4.752 . 0 0 "[ . 1 . 2]" 1
434 1 36 GLY HA2 1 44 ILE MD . . 3.220 1.968 1.872 2.106 . 0 0 "[ . 1 . 2]" 1
435 1 36 GLY HA2 1 80 HIS H . . 4.730 4.136 3.346 4.604 . 0 0 "[ . 1 . 2]" 1
436 1 36 GLY HA2 1 80 HIS HA . . 4.770 3.444 2.989 3.868 . 0 0 "[ . 1 . 2]" 1
437 1 36 GLY HA3 1 39 LEU MD1 . . 4.140 2.222 1.954 4.061 . 0 0 "[ . 1 . 2]" 1
438 1 36 GLY HA3 1 39 LEU MD2 . . 4.140 3.002 2.046 3.555 . 0 0 "[ . 1 . 2]" 1
439 1 36 GLY HA3 1 44 ILE MD . . 3.440 3.438 3.232 3.554 0.114 18 0 "[ . 1 . 2]" 1
440 1 37 ALA H 1 37 ALA MB . . 2.810 2.093 1.987 2.276 . 0 0 "[ . 1 . 2]" 1
441 1 37 ALA H 1 38 ASP H . . 4.190 2.414 2.082 2.733 . 0 0 "[ . 1 . 2]" 1
442 1 37 ALA H 1 39 LEU H . . 5.170 3.504 2.947 3.928 . 0 0 "[ . 1 . 2]" 1
443 1 37 ALA H 1 44 ILE MD . . 3.670 3.554 3.203 3.703 0.033 1 0 "[ . 1 . 2]" 1
444 1 37 ALA H 1 79 THR H . . 4.940 4.456 4.168 4.676 . 0 0 "[ . 1 . 2]" 1
445 1 37 ALA H 1 79 THR HA . . 3.630 2.076 1.943 2.180 . 0 0 "[ . 1 . 2]" 1
446 1 37 ALA H 1 79 THR HB . . 4.600 4.517 4.232 4.638 0.038 9 0 "[ . 1 . 2]" 1
447 1 37 ALA H 1 79 THR MG . . 3.780 3.613 3.274 3.798 0.018 10 0 "[ . 1 . 2]" 1
448 1 37 ALA H 1 80 HIS H . . 4.650 3.685 2.902 4.253 . 0 0 "[ . 1 . 2]" 1
449 1 37 ALA HA 1 39 LEU H . . 4.480 3.908 3.646 4.101 . 0 0 "[ . 1 . 2]" 1
450 1 37 ALA HA 1 42 LYS HA . . 3.780 2.463 1.988 3.053 . 0 0 "[ . 1 . 2]" 1
451 1 37 ALA HA 1 42 LYS QB . . 4.120 3.914 3.664 4.026 . 0 0 "[ . 1 . 2]" 1
452 1 37 ALA HA 1 42 LYS QD . . 3.530 1.906 1.753 2.129 . 0 0 "[ . 1 . 2]" 1
453 1 37 ALA HA 1 42 LYS HE2 . . 4.110 3.714 2.901 4.122 0.012 14 0 "[ . 1 . 2]" 1
454 1 37 ALA HA 1 42 LYS HE3 . . 3.980 3.562 2.338 4.193 0.213 1 0 "[ . 1 . 2]" 1
455 1 37 ALA MB 1 38 ASP H . . 3.410 2.667 2.483 2.977 . 0 0 "[ . 1 . 2]" 1
456 1 37 ALA MB 1 38 ASP HB2 . . 4.480 4.032 3.686 4.408 . 0 0 "[ . 1 . 2]" 1
457 1 37 ALA MB 1 39 LEU H . . 4.250 4.211 4.033 4.384 0.134 4 0 "[ . 1 . 2]" 1
458 1 37 ALA MB 1 42 LYS QD . . 3.650 2.811 2.161 3.411 . 0 0 "[ . 1 . 2]" 1
459 1 37 ALA MB 1 44 ILE MD . . 4.430 3.986 3.395 4.438 0.008 9 0 "[ . 1 . 2]" 1
460 1 37 ALA MB 1 77 GLY HA2 . . 4.300 2.477 1.996 3.013 . 0 0 "[ . 1 . 2]" 1
461 1 37 ALA MB 1 77 GLY HA3 . . 3.330 2.927 2.737 3.266 . 0 0 "[ . 1 . 2]" 1
462 1 37 ALA MB 1 78 THR H . . 4.250 3.876 3.197 4.252 0.002 4 0 "[ . 1 . 2]" 1
463 1 37 ALA MB 1 79 THR H . . 3.910 3.828 3.707 3.936 0.026 14 0 "[ . 1 . 2]" 1
464 1 37 ALA MB 1 79 THR HA . . 3.220 2.654 2.467 2.940 . 0 0 "[ . 1 . 2]" 1
465 1 37 ALA MB 1 79 THR MG . . 3.020 2.755 2.319 3.016 . 0 0 "[ . 1 . 2]" 1
466 1 37 ALA MB 1 80 HIS H . . 5.250 4.740 4.246 5.206 . 0 0 "[ . 1 . 2]" 1
467 1 38 ASP H 1 39 LEU H . . 3.470 2.451 2.295 2.546 . 0 0 "[ . 1 . 2]" 1
468 1 38 ASP H 1 79 THR HA . . 4.110 2.870 2.433 3.119 . 0 0 "[ . 1 . 2]" 1
469 1 38 ASP H 1 79 THR MG . . 3.670 2.978 2.183 3.498 . 0 0 "[ . 1 . 2]" 1
470 1 38 ASP H 1 80 HIS H . . 4.630 3.823 2.721 4.652 0.022 8 0 "[ . 1 . 2]" 1
471 1 38 ASP HB2 1 39 LEU H . . 4.860 4.130 3.990 4.333 . 0 0 "[ . 1 . 2]" 1
472 1 38 ASP HB2 1 39 LEU MD1 . . 4.520 3.689 3.428 4.117 . 0 0 "[ . 1 . 2]" 1
473 1 38 ASP HB2 1 79 THR MG . . 3.410 2.755 2.009 3.339 . 0 0 "[ . 1 . 2]" 1
474 1 38 ASP HB3 1 39 LEU H . . 4.990 3.118 2.977 3.479 . 0 0 "[ . 1 . 2]" 1
475 1 38 ASP HB3 1 39 LEU MD1 . . 4.420 2.249 1.970 2.878 . 0 0 "[ . 1 . 2]" 1
476 1 38 ASP HB3 1 79 THR MG . . 4.080 3.556 2.653 4.046 . 0 0 "[ . 1 . 2]" 1
477 1 39 LEU H 1 39 LEU HB2 . . 3.680 2.341 2.154 2.895 . 0 0 "[ . 1 . 2]" 1
478 1 39 LEU H 1 39 LEU HB3 . . 3.960 3.546 3.452 3.684 . 0 0 "[ . 1 . 2]" 1
479 1 39 LEU H 1 39 LEU MD1 . . 3.580 2.048 1.856 2.670 . 0 0 "[ . 1 . 2]" 1
480 1 39 LEU H 1 39 LEU MD2 . . 4.100 3.765 1.880 4.081 . 0 0 "[ . 1 . 2]" 1
481 1 39 LEU H 1 39 LEU HG . . 3.700 3.770 3.734 3.857 0.157 8 0 "[ . 1 . 2]" 1
482 1 39 LEU H 1 40 GLU H . . 4.760 4.490 4.106 4.597 . 0 0 "[ . 1 . 2]" 1
483 1 39 LEU H 1 42 LYS QD . . 5.020 4.701 4.199 4.924 . 0 0 "[ . 1 . 2]" 1
484 1 39 LEU H 1 80 HIS HB2 . . 5.320 4.604 4.051 5.284 . 0 0 "[ . 1 . 2]" 1
485 1 39 LEU HA 1 39 LEU MD1 . . 2.700 2.669 2.108 2.751 0.051 8 0 "[ . 1 . 2]" 1
486 1 39 LEU HA 1 39 LEU HG . . 4.110 2.573 2.314 3.856 . 0 0 "[ . 1 . 2]" 1
487 1 39 LEU HA 1 40 GLU QG . . 4.400 3.993 3.598 4.373 . 0 0 "[ . 1 . 2]" 1
488 1 39 LEU HA 1 41 ASN H . . 4.790 4.483 4.253 4.804 0.014 4 0 "[ . 1 . 2]" 1
489 1 39 LEU HB2 1 39 LEU MD2 . . 3.220 2.421 2.134 2.573 . 0 0 "[ . 1 . 2]" 1
490 1 39 LEU HB2 1 40 GLU H . . 4.210 3.306 1.988 3.798 . 0 0 "[ . 1 . 2]" 1
491 1 39 LEU HB2 1 41 ASN H . . 4.270 3.183 2.487 3.550 . 0 0 "[ . 1 . 2]" 1
492 1 39 LEU HB3 1 39 LEU MD1 . . 3.190 3.187 2.569 3.222 0.032 19 0 "[ . 1 . 2]" 1
493 1 39 LEU HB3 1 39 LEU MD2 . . 3.240 2.304 2.123 3.171 . 0 0 "[ . 1 . 2]" 1
494 1 39 LEU HB3 1 40 GLU H . . 3.820 2.098 1.929 2.413 . 0 0 "[ . 1 . 2]" 1
495 1 39 LEU MD1 1 40 GLU H . . 4.460 4.494 4.209 4.564 0.104 8 0 "[ . 1 . 2]" 1
496 1 39 LEU MD1 1 80 HIS H . . 5.200 2.684 2.130 3.463 . 0 0 "[ . 1 . 2]" 1
497 1 39 LEU MD1 1 80 HIS HA . . 4.490 3.739 3.460 4.397 . 0 0 "[ . 1 . 2]" 1
498 1 39 LEU MD1 1 80 HIS HB2 . . 4.040 1.930 1.784 2.128 . 0 0 "[ . 1 . 2]" 1
499 1 39 LEU MD1 1 80 HIS HB3 . . 4.040 2.786 2.200 3.377 . 0 0 "[ . 1 . 2]" 1
500 1 39 LEU MD2 1 40 GLU H . . 4.060 3.944 3.636 4.077 0.017 10 0 "[ . 1 . 2]" 1
501 1 39 LEU MD2 1 41 ASN H . . 4.260 4.080 3.662 4.321 0.061 8 0 "[ . 1 . 2]" 1
502 1 39 LEU MD2 1 80 HIS H . . 4.320 4.001 2.872 4.292 . 0 0 "[ . 1 . 2]" 1
503 1 39 LEU MD2 1 80 HIS HA . . 4.120 3.679 3.027 3.987 . 0 0 "[ . 1 . 2]" 1
504 1 39 LEU MD2 1 80 HIS HB2 . . 3.530 2.196 1.872 2.416 . 0 0 "[ . 1 . 2]" 1
505 1 39 LEU MD2 1 80 HIS HB3 . . 3.640 3.426 2.635 3.666 0.026 11 0 "[ . 1 . 2]" 1
506 1 39 LEU MD2 1 80 HIS HD2 . . 4.520 4.160 3.781 4.569 0.049 19 0 "[ . 1 . 2]" 1
507 1 39 LEU HG 1 41 ASN H . . 5.230 5.213 4.799 5.289 0.059 10 0 "[ . 1 . 2]" 1
508 1 39 LEU HG 1 80 HIS HB2 . . 4.680 4.019 3.591 4.273 . 0 0 "[ . 1 . 2]" 1
509 1 40 GLU H 1 40 GLU QB . . 2.970 2.324 2.214 2.526 . 0 0 "[ . 1 . 2]" 1
510 1 40 GLU H 1 40 GLU QG . . 3.740 2.536 1.926 2.896 . 0 0 "[ . 1 . 2]" 1
511 1 40 GLU H 1 41 ASN H . . 3.900 2.485 2.120 2.978 . 0 0 "[ . 1 . 2]" 1
512 1 40 GLU HA 1 40 GLU QG . . 3.370 2.374 2.113 3.333 . 0 0 "[ . 1 . 2]" 1
513 1 40 GLU QB 1 41 ASN H . . 3.440 2.911 2.705 3.521 0.081 10 0 "[ . 1 . 2]" 1
514 1 40 GLU QG 1 41 ASN H . . 4.320 4.046 2.040 4.350 0.030 8 0 "[ . 1 . 2]" 1
515 1 41 ASN H 1 41 ASN HB2 . . 3.540 2.850 2.282 3.684 0.144 8 0 "[ . 1 . 2]" 1
516 1 41 ASN H 1 41 ASN HB3 . . 3.430 3.331 2.748 3.603 0.173 9 0 "[ . 1 . 2]" 1
517 1 41 ASN H 1 41 ASN QD . . 5.090 3.378 2.433 4.132 . 0 0 "[ . 1 . 2]" 1
518 1 41 ASN HB2 1 43 VAL H . . 5.020 4.162 2.816 5.013 . 0 0 "[ . 1 . 2]" 1
519 1 41 ASN HB3 1 43 VAL H . . 5.000 4.009 2.864 4.967 . 0 0 "[ . 1 . 2]" 1
520 1 42 LYS H 1 42 LYS QD . . 4.580 3.837 3.375 4.326 . 0 0 "[ . 1 . 2]" 1
521 1 42 LYS H 1 43 VAL H . . 4.720 2.608 1.891 2.815 . 0 0 "[ . 1 . 2]" 1
522 1 42 LYS H 1 43 VAL QG . . 4.140 3.774 2.999 4.115 . 0 0 "[ . 1 . 2]" 1
523 1 42 LYS HA 1 42 LYS QD . . 3.070 2.026 1.916 2.462 . 0 0 "[ . 1 . 2]" 1
524 1 42 LYS QB 1 43 VAL H . . 5.090 2.798 2.604 3.238 . 0 0 "[ . 1 . 2]" 1
525 1 42 LYS QB 1 43 VAL QG . . 4.090 3.572 2.721 3.781 . 0 0 "[ . 1 . 2]" 1
526 1 43 VAL H 1 43 VAL HB . . 3.380 2.705 2.161 3.194 . 0 0 "[ . 1 . 2]" 1
527 1 43 VAL H 1 43 VAL QG . . 3.090 2.016 1.826 2.952 . 0 0 "[ . 1 . 2]" 1
528 1 43 VAL HA 1 43 VAL QG . . 2.970 2.193 1.893 2.427 . 0 0 "[ . 1 . 2]" 1
529 1 43 VAL HA 1 44 ILE H . . 2.950 2.190 2.182 2.238 . 0 0 "[ . 1 . 2]" 1
530 1 43 VAL HA 1 44 ILE HB . . 4.270 4.323 4.280 4.373 0.103 3 0 "[ . 1 . 2]" 1
531 1 43 VAL HA 1 44 ILE MD . . 4.050 3.077 2.942 3.204 . 0 0 "[ . 1 . 2]" 1
532 1 43 VAL HA 1 75 LEU MD1 . . 3.810 3.114 2.808 3.286 . 0 0 "[ . 1 . 2]" 1
533 1 43 VAL QG 1 44 ILE H . . 3.010 2.751 2.486 3.063 0.053 14 0 "[ . 1 . 2]" 1
534 1 43 VAL QG 1 66 GLU HA . . 3.840 3.414 2.446 3.827 . 0 0 "[ . 1 . 2]" 1
535 1 43 VAL QG 1 66 GLU HG2 . . 3.200 3.068 1.954 3.589 0.389 18 0 "[ . 1 . 2]" 1
536 1 43 VAL QG 1 66 GLU HG3 . . 3.910 2.247 1.845 3.825 . 0 0 "[ . 1 . 2]" 1
537 1 44 ILE H 1 44 ILE HB . . 3.370 2.170 2.124 2.227 . 0 0 "[ . 1 . 2]" 1
538 1 44 ILE H 1 44 ILE MD . . 3.460 1.975 1.798 2.129 . 0 0 "[ . 1 . 2]" 1
539 1 44 ILE H 1 44 ILE QG . . 3.680 3.373 3.272 3.489 . 0 0 "[ . 1 . 2]" 1
540 1 44 ILE H 1 44 ILE MG . . 3.620 3.603 3.557 3.646 0.026 3 0 "[ . 1 . 2]" 1
541 1 44 ILE H 1 75 LEU HB2 . . 4.380 4.050 3.875 4.384 0.004 14 0 "[ . 1 . 2]" 1
542 1 44 ILE H 1 75 LEU MD1 . . 3.650 1.969 1.905 2.084 . 0 0 "[ . 1 . 2]" 1
543 1 44 ILE H 1 75 LEU MD2 . . 4.250 4.173 3.911 4.392 0.142 11 0 "[ . 1 . 2]" 1
544 1 44 ILE HA 1 44 ILE MG . . 3.180 2.601 2.533 2.644 . 0 0 "[ . 1 . 2]" 1
545 1 44 ILE HA 1 45 THR H . . 3.410 2.272 2.177 2.375 . 0 0 "[ . 1 . 2]" 1
546 1 44 ILE HB 1 44 ILE MD . . 3.350 2.244 2.126 2.345 . 0 0 "[ . 1 . 2]" 1
547 1 44 ILE HB 1 45 THR H . . 4.950 4.273 4.024 4.580 . 0 0 "[ . 1 . 2]" 1
548 1 44 ILE HB 1 67 VAL HB . . 3.850 3.378 3.088 3.887 0.037 11 0 "[ . 1 . 2]" 1
549 1 44 ILE HB 1 67 VAL MG1 . . 4.260 3.753 3.552 4.064 . 0 0 "[ . 1 . 2]" 1
550 1 44 ILE HB 1 75 LEU HB2 . . 4.430 4.641 4.495 4.913 0.483 8 0 "[ . 1 . 2]" 1
551 1 44 ILE HB 1 75 LEU MD1 . . 3.530 1.829 1.766 1.958 . 0 0 "[ . 1 . 2]" 1
552 1 44 ILE MD 1 45 THR H . . 4.630 4.520 4.423 4.601 . 0 0 "[ . 1 . 2]" 1
553 1 44 ILE MD 1 75 LEU HB2 . . 3.400 3.565 3.539 3.666 0.266 11 0 "[ . 1 . 2]" 1
554 1 44 ILE MD 1 75 LEU HB3 . . 3.530 2.815 2.537 3.032 . 0 0 "[ . 1 . 2]" 1
555 1 44 ILE MD 1 78 THR H . . 4.230 4.037 3.846 4.143 . 0 0 "[ . 1 . 2]" 1
556 1 44 ILE MD 1 78 THR HB . . 3.740 3.590 3.223 3.736 . 0 0 "[ . 1 . 2]" 1
557 1 44 ILE QG 1 44 ILE MG . . 2.800 2.112 2.073 2.150 . 0 0 "[ . 1 . 2]" 1
558 1 44 ILE QG 1 45 THR H . . 4.550 3.738 3.506 4.078 . 0 0 "[ . 1 . 2]" 1
559 1 44 ILE QG 1 78 THR HB . . 4.320 4.313 4.236 4.358 0.038 3 0 "[ . 1 . 2]" 1
560 1 44 ILE MG 1 45 THR H . . 3.290 2.358 1.950 3.033 . 0 0 "[ . 1 . 2]" 1
561 1 44 ILE MG 1 67 VAL HB . . 3.070 2.184 2.001 2.891 . 0 0 "[ . 1 . 2]" 1
562 1 44 ILE MG 1 67 VAL MG1 . . 2.630 2.665 2.633 2.739 0.109 14 0 "[ . 1 . 2]" 1
563 1 45 THR H 1 45 THR MG . . 3.600 3.111 2.587 3.389 . 0 0 "[ . 1 . 2]" 1
564 1 45 THR HA 1 45 THR MG . . 3.000 2.313 2.136 2.418 . 0 0 "[ . 1 . 2]" 1
565 1 45 THR HA 1 46 VAL H . . 3.500 2.528 2.445 2.642 . 0 0 "[ . 1 . 2]" 1
566 1 45 THR HA 1 46 VAL MG2 . . 3.950 3.303 3.212 3.363 . 0 0 "[ . 1 . 2]" 1
567 1 45 THR HA 1 66 GLU HA . . 3.540 2.861 2.496 3.571 0.031 11 0 "[ . 1 . 2]" 1
568 1 45 THR HA 1 67 VAL H . . 3.810 2.323 1.946 3.940 0.130 11 0 "[ . 1 . 2]" 1
569 1 45 THR HA 1 67 VAL HB . . 4.340 3.154 2.374 3.955 . 0 0 "[ . 1 . 2]" 1
570 1 45 THR HA 1 67 VAL MG2 . . 3.560 2.182 1.834 2.522 . 0 0 "[ . 1 . 2]" 1
571 1 45 THR HB 1 46 VAL H . . 3.240 2.405 2.196 2.590 . 0 0 "[ . 1 . 2]" 1
572 1 45 THR HB 1 46 VAL HB . . 4.590 4.397 4.285 4.583 . 0 0 "[ . 1 . 2]" 1
573 1 45 THR HB 1 46 VAL MG2 . . 4.110 4.136 3.822 4.252 0.142 14 0 "[ . 1 . 2]" 1
574 1 45 THR HB 1 64 GLY H . . 4.480 3.642 3.121 4.063 . 0 0 "[ . 1 . 2]" 1
575 1 45 THR HB 1 64 GLY HA2 . . 4.340 3.537 2.416 4.401 0.061 11 0 "[ . 1 . 2]" 1
576 1 45 THR HB 1 66 GLU HA . . 4.180 3.827 3.543 4.241 0.061 8 0 "[ . 1 . 2]" 1
577 1 45 THR HB 1 67 VAL MG2 . . 4.490 4.140 3.500 4.536 0.046 18 0 "[ . 1 . 2]" 1
578 1 45 THR MG 1 46 VAL H . . 3.500 3.539 3.423 3.733 0.233 8 0 "[ . 1 . 2]" 1
579 1 45 THR MG 1 64 GLY H . . 5.400 4.882 4.499 5.073 . 0 0 "[ . 1 . 2]" 1
580 1 45 THR MG 1 66 GLU HA . . 3.080 1.983 1.723 2.385 . 0 0 "[ . 1 . 2]" 1
581 1 45 THR MG 1 66 GLU QB . . 3.310 3.032 2.636 3.328 0.018 8 0 "[ . 1 . 2]" 1
582 1 45 THR MG 1 67 VAL H . . 3.540 2.969 2.544 3.856 0.316 11 0 "[ . 1 . 2]" 1
583 1 46 VAL H 1 46 VAL HB . . 3.730 2.448 2.398 2.544 . 0 0 "[ . 1 . 2]" 1
584 1 46 VAL H 1 46 VAL MG1 . . 3.680 3.721 3.709 3.742 0.062 11 0 "[ . 1 . 2]" 1
585 1 46 VAL H 1 46 VAL MG2 . . 3.020 2.033 1.913 2.145 . 0 0 "[ . 1 . 2]" 1
586 1 46 VAL H 1 61 ILE MG . . 4.490 4.539 4.499 4.584 0.094 11 0 "[ . 1 . 2]" 1
587 1 46 VAL H 1 63 LYS HA . . 5.140 4.184 3.890 4.353 . 0 0 "[ . 1 . 2]" 1
588 1 46 VAL H 1 64 GLY H . . 4.680 3.083 2.509 3.391 . 0 0 "[ . 1 . 2]" 1
589 1 46 VAL H 1 65 ASN H . . 4.470 3.353 2.276 3.769 . 0 0 "[ . 1 . 2]" 1
590 1 46 VAL H 1 67 VAL MG2 . . 3.470 2.786 2.466 3.159 . 0 0 "[ . 1 . 2]" 1
591 1 46 VAL HA 1 46 VAL MG1 . . 3.130 2.289 2.191 2.338 . 0 0 "[ . 1 . 2]" 1
592 1 46 VAL HA 1 46 VAL MG2 . . 3.180 2.486 2.456 2.554 . 0 0 "[ . 1 . 2]" 1
593 1 46 VAL HA 1 47 HIS H . . 3.240 2.219 2.200 2.247 . 0 0 "[ . 1 . 2]" 1
594 1 46 VAL HA 1 47 HIS HB2 . . 4.640 4.590 4.423 5.177 0.537 15 1 "[ . 1 + 2]" 1
595 1 46 VAL HA 1 48 ARG H . . 4.340 4.171 4.023 4.263 . 0 0 "[ . 1 . 2]" 1
596 1 46 VAL HA 1 61 ILE MG . . 4.090 4.027 3.945 4.097 0.007 14 0 "[ . 1 . 2]" 1
597 1 46 VAL HA 1 67 VAL MG2 . . 4.230 3.098 2.939 3.216 . 0 0 "[ . 1 . 2]" 1
598 1 46 VAL HB 1 63 LYS HA . . 3.630 2.101 1.945 2.272 . 0 0 "[ . 1 . 2]" 1
599 1 46 VAL HB 1 64 GLY H . . 3.760 2.341 2.006 2.508 . 0 0 "[ . 1 . 2]" 1
600 1 46 VAL HB 1 65 ASN H . . 3.870 2.688 2.254 2.894 . 0 0 "[ . 1 . 2]" 1
601 1 46 VAL MG1 1 47 HIS H . . 3.480 3.284 3.140 3.441 . 0 0 "[ . 1 . 2]" 1
602 1 46 VAL MG1 1 48 ARG H . . 3.590 3.147 3.065 3.270 . 0 0 "[ . 1 . 2]" 1
603 1 46 VAL MG1 1 48 ARG HA . . 4.220 3.547 3.426 3.781 . 0 0 "[ . 1 . 2]" 1
604 1 46 VAL MG1 1 49 VAL H . . 4.880 4.067 3.908 4.231 . 0 0 "[ . 1 . 2]" 1
605 1 46 VAL MG1 1 49 VAL HB . . 4.220 4.192 4.005 4.269 0.049 9 0 "[ . 1 . 2]" 1
606 1 46 VAL MG1 1 49 VAL MG1 . . 3.450 3.495 3.461 3.554 0.104 9 0 "[ . 1 . 2]" 1
607 1 46 VAL MG1 1 49 VAL MG2 . . 2.720 1.816 1.708 1.863 . 0 0 "[ . 1 . 2]" 1
608 1 46 VAL MG1 1 61 ILE HA . . 4.130 4.153 4.080 4.233 0.103 14 0 "[ . 1 . 2]" 1
609 1 46 VAL MG1 1 61 ILE HB . . 3.800 3.777 3.684 3.864 0.064 9 0 "[ . 1 . 2]" 1
610 1 46 VAL MG1 1 61 ILE MG . . 3.190 1.931 1.874 2.008 . 0 0 "[ . 1 . 2]" 1
611 1 46 VAL MG1 1 62 GLN HA . . 3.790 3.732 3.503 3.836 0.046 14 0 "[ . 1 . 2]" 1
612 1 46 VAL MG1 1 63 LYS H . . 4.470 3.136 2.907 3.515 . 0 0 "[ . 1 . 2]" 1
613 1 46 VAL MG1 1 63 LYS HA . . 3.050 2.018 1.963 2.251 . 0 0 "[ . 1 . 2]" 1
614 1 46 VAL MG1 1 63 LYS HB2 . . 3.820 2.980 2.633 3.357 . 0 0 "[ . 1 . 2]" 1
615 1 46 VAL MG1 1 63 LYS HB3 . . 3.760 3.682 3.447 3.837 0.077 14 0 "[ . 1 . 2]" 1
616 1 46 VAL MG1 1 64 GLY H . . 3.520 3.544 3.473 3.608 0.088 18 0 "[ . 1 . 2]" 1
617 1 46 VAL MG1 1 65 ASN H . . 4.110 4.106 3.941 4.174 0.064 12 0 "[ . 1 . 2]" 1
618 1 46 VAL MG2 1 61 ILE HA . . 3.870 3.158 3.050 3.316 . 0 0 "[ . 1 . 2]" 1
619 1 46 VAL MG2 1 61 ILE HB . . 4.090 4.004 3.858 4.123 0.033 9 0 "[ . 1 . 2]" 1
620 1 46 VAL MG2 1 61 ILE HG12 . . 4.230 4.060 3.862 4.237 0.007 2 0 "[ . 1 . 2]" 1
621 1 46 VAL MG2 1 61 ILE MG . . 2.700 1.707 1.672 1.764 . 0 0 "[ . 1 . 2]" 1
622 1 46 VAL MG2 1 62 GLN H . . 4.130 3.480 3.319 3.705 . 0 0 "[ . 1 . 2]" 1
623 1 46 VAL MG2 1 63 LYS HA . . 3.980 3.727 3.564 3.888 . 0 0 "[ . 1 . 2]" 1
624 1 46 VAL MG2 1 64 GLY H . . 3.980 3.797 3.303 4.010 0.030 6 0 "[ . 1 . 2]" 1
625 1 46 VAL MG2 1 65 ASN H . . 3.780 3.173 2.672 3.463 . 0 0 "[ . 1 . 2]" 1
626 1 46 VAL MG2 1 65 ASN HB2 . . 3.660 2.093 1.741 2.523 . 0 0 "[ . 1 . 2]" 1
627 1 46 VAL MG2 1 65 ASN HB3 . . 4.380 3.044 2.301 3.652 . 0 0 "[ . 1 . 2]" 1
628 1 46 VAL MG2 1 66 GLU HA . . 4.440 4.437 4.248 4.813 0.373 11 0 "[ . 1 . 2]" 1
629 1 46 VAL MG2 1 67 VAL HB . . 4.230 4.244 4.077 4.371 0.141 14 0 "[ . 1 . 2]" 1
630 1 46 VAL MG2 1 67 VAL MG2 . . 2.700 1.924 1.776 2.033 . 0 0 "[ . 1 . 2]" 1
631 1 47 HIS H 1 47 HIS HB2 . . 3.750 2.408 2.234 2.987 . 0 0 "[ . 1 . 2]" 1
632 1 47 HIS H 1 47 HIS HB3 . . 3.890 2.507 2.047 2.698 . 0 0 "[ . 1 . 2]" 1
633 1 47 HIS H 1 48 ARG H . . 3.690 2.949 2.863 3.002 . 0 0 "[ . 1 . 2]" 1
634 1 47 HIS H 1 67 VAL MG2 . . 5.300 4.638 4.429 4.786 . 0 0 "[ . 1 . 2]" 1
635 1 47 HIS HA 1 47 HIS HD2 . . 4.400 2.795 2.420 3.509 . 0 0 "[ . 1 . 2]" 1
636 1 47 HIS HB2 1 48 ARG H . . 3.860 3.720 3.579 3.901 0.041 15 0 "[ . 1 . 2]" 1
637 1 47 HIS HB3 1 48 ARG H . . 3.600 2.309 2.241 2.730 . 0 0 "[ . 1 . 2]" 1
638 1 47 HIS HD2 1 48 ARG HB2 . . 4.820 3.541 2.304 4.560 . 0 0 "[ . 1 . 2]" 1
639 1 47 HIS HD2 1 48 ARG QD . . 5.300 2.349 1.778 5.335 0.035 15 0 "[ . 1 . 2]" 1
640 1 47 HIS HD2 1 48 ARG HG3 . . 4.920 4.411 3.930 4.909 . 0 0 "[ . 1 . 2]" 1
641 1 47 HIS HE1 1 48 ARG QD . . 5.020 4.545 3.803 5.096 0.076 15 0 "[ . 1 . 2]" 1
642 1 48 ARG H 1 48 ARG HB2 . . 3.800 2.807 2.726 3.170 . 0 0 "[ . 1 . 2]" 1
643 1 48 ARG H 1 48 ARG HB3 . . 3.740 3.471 2.878 3.545 . 0 0 "[ . 1 . 2]" 1
644 1 48 ARG H 1 48 ARG QD . . 3.950 3.951 3.844 4.177 0.227 15 0 "[ . 1 . 2]" 1
645 1 48 ARG H 1 49 VAL MG2 . . 4.200 4.018 3.945 4.182 . 0 0 "[ . 1 . 2]" 1
646 1 48 ARG HA 1 48 ARG QD . . 3.400 3.039 2.771 3.431 0.031 15 0 "[ . 1 . 2]" 1
647 1 48 ARG HA 1 48 ARG HG2 . . 3.840 3.328 2.308 3.456 . 0 0 "[ . 1 . 2]" 1
648 1 48 ARG HA 1 48 ARG HG3 . . 3.750 2.109 1.996 3.513 . 0 0 "[ . 1 . 2]" 1
649 1 48 ARG HA 1 49 VAL H . . 3.160 2.435 2.348 2.501 . 0 0 "[ . 1 . 2]" 1
650 1 48 ARG HA 1 49 VAL MG2 . . 3.910 3.160 3.057 3.380 . 0 0 "[ . 1 . 2]" 1
651 1 48 ARG HB2 1 48 ARG QD . . 3.770 2.169 1.999 3.255 . 0 0 "[ . 1 . 2]" 1
652 1 48 ARG HB2 1 50 PHE QE . . 4.310 4.106 3.858 4.430 0.120 15 0 "[ . 1 . 2]" 1
653 1 48 ARG HB3 1 48 ARG QD . . 3.170 3.135 2.264 3.225 0.055 4 0 "[ . 1 . 2]" 1
654 1 48 ARG HB3 1 49 VAL H . . 3.860 2.987 2.734 3.870 0.010 15 0 "[ . 1 . 2]" 1
655 1 48 ARG HB3 1 50 PHE QD . . 4.470 3.328 3.185 3.474 . 0 0 "[ . 1 . 2]" 1
656 1 48 ARG HB3 1 50 PHE QE . . 4.130 3.511 2.811 3.718 . 0 0 "[ . 1 . 2]" 1
657 1 48 ARG QD 1 49 VAL H . . 4.740 4.575 2.585 4.755 0.015 19 0 "[ . 1 . 2]" 1
658 1 48 ARG HG2 1 49 VAL H . . 4.080 3.637 2.341 3.829 . 0 0 "[ . 1 . 2]" 1
659 1 48 ARG HG3 1 49 VAL H . . 4.130 3.042 2.710 3.933 . 0 0 "[ . 1 . 2]" 1
660 1 49 VAL H 1 49 VAL HB . . 3.340 2.683 2.521 2.761 . 0 0 "[ . 1 . 2]" 1
661 1 49 VAL H 1 49 VAL MG1 . . 3.770 3.868 3.800 3.903 0.133 2 0 "[ . 1 . 2]" 1
662 1 49 VAL H 1 49 VAL MG2 . . 3.340 2.556 2.414 2.694 . 0 0 "[ . 1 . 2]" 1
663 1 49 VAL H 1 50 PHE QD . . 4.470 4.505 4.471 4.553 0.083 9 0 "[ . 1 . 2]" 1
664 1 49 VAL HA 1 49 VAL MG1 . . 2.600 2.273 2.196 2.394 . 0 0 "[ . 1 . 2]" 1
665 1 49 VAL HA 1 49 VAL MG2 . . 3.140 2.464 2.366 2.530 . 0 0 "[ . 1 . 2]" 1
666 1 49 VAL HA 1 50 PHE H . . 3.310 2.245 2.209 2.277 . 0 0 "[ . 1 . 2]" 1
667 1 49 VAL HB 1 50 PHE H . . 5.010 4.475 4.392 4.542 . 0 0 "[ . 1 . 2]" 1
668 1 49 VAL MG1 1 50 PHE H . . 3.510 3.300 3.214 3.382 . 0 0 "[ . 1 . 2]" 1
669 1 49 VAL MG1 1 50 PHE QD . . 4.780 4.775 4.722 4.824 0.044 15 0 "[ . 1 . 2]" 1
670 1 49 VAL MG1 1 53 GLY H . . 5.210 5.243 5.225 5.298 0.088 15 0 "[ . 1 . 2]" 1
671 1 49 VAL MG1 1 55 ALA H . . 4.310 4.181 3.979 4.329 0.019 15 0 "[ . 1 . 2]" 1
672 1 49 VAL MG1 1 55 ALA HA . . 4.210 4.083 3.859 4.227 0.017 1 0 "[ . 1 . 2]" 1
673 1 49 VAL MG1 1 55 ALA MB . . 2.930 2.009 1.873 2.360 . 0 0 "[ . 1 . 2]" 1
674 1 49 VAL MG1 1 56 SER H . . 3.540 2.908 2.589 3.155 . 0 0 "[ . 1 . 2]" 1
675 1 49 VAL MG1 1 56 SER QB . . 3.280 2.259 1.906 2.826 . 0 0 "[ . 1 . 2]" 1
676 1 49 VAL MG1 1 57 GLN H . . 4.820 4.626 4.401 4.834 0.014 2 0 "[ . 1 . 2]" 1
677 1 49 VAL MG1 1 61 ILE MG . . 4.010 3.724 3.448 3.911 . 0 0 "[ . 1 . 2]" 1
678 1 49 VAL MG2 1 50 PHE H . . 4.410 4.352 4.307 4.378 . 0 0 "[ . 1 . 2]" 1
679 1 49 VAL MG2 1 55 ALA MB . . 3.530 3.256 3.091 3.434 . 0 0 "[ . 1 . 2]" 1
680 1 49 VAL MG2 1 61 ILE MG . . 3.300 3.047 2.850 3.242 . 0 0 "[ . 1 . 2]" 1
681 1 49 VAL MG2 1 62 GLN H . . 4.300 4.145 4.005 4.324 0.024 8 0 "[ . 1 . 2]" 1
682 1 49 VAL MG2 1 62 GLN HA . . 3.210 2.189 1.972 2.420 . 0 0 "[ . 1 . 2]" 1
683 1 49 VAL MG2 1 62 GLN QG . . 4.380 3.850 3.634 4.077 . 0 0 "[ . 1 . 2]" 1
684 1 49 VAL MG2 1 63 LYS H . . 3.350 1.942 1.727 2.417 . 0 0 "[ . 1 . 2]" 1
685 1 49 VAL MG2 1 63 LYS HA . . 3.900 2.810 2.624 3.007 . 0 0 "[ . 1 . 2]" 1
686 1 49 VAL MG2 1 63 LYS HB2 . . 3.620 2.636 2.021 3.172 . 0 0 "[ . 1 . 2]" 1
687 1 49 VAL MG2 1 63 LYS HB3 . . 3.640 2.498 2.034 2.862 . 0 0 "[ . 1 . 2]" 1
688 1 50 PHE H 1 50 PHE HB2 . . 3.770 2.679 2.616 2.723 . 0 0 "[ . 1 . 2]" 1
689 1 50 PHE H 1 50 PHE HB3 . . 4.110 3.481 3.469 3.490 . 0 0 "[ . 1 . 2]" 1
690 1 50 PHE H 1 50 PHE QD . . 4.280 2.118 2.068 2.181 . 0 0 "[ . 1 . 2]" 1
691 1 50 PHE HA 1 50 PHE QD . . 3.650 2.112 2.098 2.131 . 0 0 "[ . 1 . 2]" 1
692 1 50 PHE HA 1 51 PRO HD2 . . 3.270 2.694 2.648 2.714 . 0 0 "[ . 1 . 2]" 1
693 1 50 PHE HA 1 51 PRO HD3 . . 3.190 1.991 1.970 2.001 . 0 0 "[ . 1 . 2]" 1
694 1 50 PHE HA 1 51 PRO HG3 . . 4.180 4.258 4.240 4.267 0.087 12 0 "[ . 1 . 2]" 1
695 1 50 PHE HB2 1 51 PRO HD2 . . 4.420 3.705 3.656 3.806 . 0 0 "[ . 1 . 2]" 1
696 1 50 PHE HB2 1 51 PRO HD3 . . 4.470 4.381 4.351 4.444 . 0 0 "[ . 1 . 2]" 1
697 1 50 PHE HB2 1 53 GLY H . . 4.820 4.446 4.327 4.615 . 0 0 "[ . 1 . 2]" 1
698 1 50 PHE HB3 1 51 PRO HD2 . . 4.270 2.235 2.192 2.335 . 0 0 "[ . 1 . 2]" 1
699 1 50 PHE HB3 1 51 PRO HD3 . . 4.130 3.234 3.195 3.330 . 0 0 "[ . 1 . 2]" 1
700 1 50 PHE HB3 1 53 GLY H . . 5.230 5.234 5.173 5.312 0.082 15 0 "[ . 1 . 2]" 1
701 1 50 PHE QD 1 51 PRO HD3 . . 4.540 3.784 3.759 3.836 . 0 0 "[ . 1 . 2]" 1
702 1 51 PRO HB2 1 52 ASN HD21 . . 5.210 3.979 2.988 5.000 . 0 0 "[ . 1 . 2]" 1
703 1 51 PRO HB2 1 52 ASN HD22 . . 5.240 4.158 3.070 4.976 . 0 0 "[ . 1 . 2]" 1
704 1 51 PRO HB3 1 52 ASN H . . 4.730 4.320 4.272 4.389 . 0 0 "[ . 1 . 2]" 1
705 1 52 ASN H 1 53 GLY H . . 4.160 3.822 3.802 3.845 . 0 0 "[ . 1 . 2]" 1
706 1 52 ASN QB 1 53 GLY H . . 4.560 3.857 3.832 3.930 . 0 0 "[ . 1 . 2]" 1
707 1 53 GLY H 1 54 LEU H . . 4.540 4.333 4.294 4.368 . 0 0 "[ . 1 . 2]" 1
708 1 53 GLY H 1 56 SER H . . 4.980 4.159 3.996 4.398 . 0 0 "[ . 1 . 2]" 1
709 1 53 GLY H 1 56 SER QB . . 3.390 2.950 2.723 3.320 . 0 0 "[ . 1 . 2]" 1
710 1 53 GLY H 1 57 GLN H . . 5.070 4.117 3.705 4.497 . 0 0 "[ . 1 . 2]" 1
711 1 53 GLY HA2 1 54 LEU H . . 3.600 2.741 2.643 2.820 . 0 0 "[ . 1 . 2]" 1
712 1 53 GLY HA2 1 55 ALA H . . 5.010 4.839 4.683 5.069 0.059 9 0 "[ . 1 . 2]" 1
713 1 54 LEU H 1 54 LEU HB2 . . 3.460 2.606 2.516 2.750 . 0 0 "[ . 1 . 2]" 1
714 1 54 LEU H 1 54 LEU HB3 . . 3.730 3.630 3.603 3.650 . 0 0 "[ . 1 . 2]" 1
715 1 54 LEU H 1 54 LEU MD1 . . 4.350 3.011 2.363 3.588 . 0 0 "[ . 1 . 2]" 1
716 1 54 LEU H 1 54 LEU MD2 . . 3.990 3.789 3.081 4.005 0.015 8 0 "[ . 1 . 2]" 1
717 1 54 LEU H 1 54 LEU HG . . 3.280 2.370 2.071 2.589 . 0 0 "[ . 1 . 2]" 1
718 1 54 LEU H 1 55 ALA H . . 3.970 2.307 2.215 2.399 . 0 0 "[ . 1 . 2]" 1
719 1 54 LEU H 1 55 ALA MB . . 3.920 3.760 3.684 3.920 . 0 0 "[ . 1 . 2]" 1
720 1 54 LEU HA 1 54 LEU MD2 . . 3.100 2.749 2.342 3.045 . 0 0 "[ . 1 . 2]" 1
721 1 54 LEU HA 1 54 LEU HG . . 3.170 2.891 2.659 3.319 0.149 19 0 "[ . 1 . 2]" 1
722 1 54 LEU HB2 1 54 LEU MD2 . . 3.370 3.093 2.944 3.215 . 0 0 "[ . 1 . 2]" 1
723 1 54 LEU HB2 1 55 ALA H . . 3.720 2.527 2.356 2.666 . 0 0 "[ . 1 . 2]" 1
724 1 54 LEU HB3 1 54 LEU MD1 . . 3.360 2.748 2.364 2.950 . 0 0 "[ . 1 . 2]" 1
725 1 54 LEU HB3 1 54 LEU MD2 . . 2.890 2.065 1.962 2.300 . 0 0 "[ . 1 . 2]" 1
726 1 54 LEU HB3 1 55 ALA H . . 3.800 3.779 3.708 3.832 0.032 1 0 "[ . 1 . 2]" 1
727 1 54 LEU MD1 1 55 ALA H . . 4.880 3.830 3.565 4.305 . 0 0 "[ . 1 . 2]" 1
728 1 54 LEU MD2 1 57 GLN QB . . 4.150 3.720 3.262 4.060 . 0 0 "[ . 1 . 2]" 1
729 1 54 LEU MD2 1 57 GLN HG3 . . 4.590 4.365 3.116 4.593 0.003 6 0 "[ . 1 . 2]" 1
730 1 54 LEU HG 1 55 ALA H . . 4.530 4.172 3.796 4.414 . 0 0 "[ . 1 . 2]" 1
731 1 55 ALA H 1 55 ALA MB . . 2.970 2.019 1.934 2.163 . 0 0 "[ . 1 . 2]" 1
732 1 55 ALA H 1 56 SER H . . 3.970 2.845 2.687 3.073 . 0 0 "[ . 1 . 2]" 1
733 1 55 ALA H 1 57 GLN H . . 4.910 4.275 3.974 4.484 . 0 0 "[ . 1 . 2]" 1
734 1 55 ALA HA 1 61 ILE MD . . 4.250 3.076 2.326 3.726 . 0 0 "[ . 1 . 2]" 1
735 1 55 ALA MB 1 56 SER H . . 3.530 2.837 2.481 3.037 . 0 0 "[ . 1 . 2]" 1
736 1 55 ALA MB 1 57 GLN H . . 5.200 4.665 4.397 4.868 . 0 0 "[ . 1 . 2]" 1
737 1 55 ALA MB 1 61 ILE MD . . 3.030 2.224 1.954 2.761 . 0 0 "[ . 1 . 2]" 1
738 1 55 ALA MB 1 61 ILE MG . . 3.440 2.825 2.401 3.145 . 0 0 "[ . 1 . 2]" 1
739 1 56 SER H 1 56 SER QB . . 3.420 2.154 2.035 2.916 . 0 0 "[ . 1 . 2]" 1
740 1 56 SER H 1 57 GLN H . . 3.930 2.468 2.150 2.781 . 0 0 "[ . 1 . 2]" 1
741 1 56 SER QB 1 57 GLN H . . 3.790 2.745 2.446 3.270 . 0 0 "[ . 1 . 2]" 1
742 1 57 GLN H 1 57 GLN QB . . 3.220 2.152 2.056 2.255 . 0 0 "[ . 1 . 2]" 1
743 1 57 GLN H 1 57 GLN HG2 . . 3.490 3.316 2.988 3.477 . 0 0 "[ . 1 . 2]" 1
744 1 57 GLN H 1 57 GLN HG3 . . 3.640 3.112 2.694 3.861 0.221 13 0 "[ . 1 . 2]" 1
745 1 57 GLN H 1 58 GLU H . . 3.700 2.747 2.192 3.051 . 0 0 "[ . 1 . 2]" 1
746 1 57 GLN H 1 58 GLU HB2 . . 5.250 4.743 4.001 6.193 0.943 9 1 "[ . +1 . 2]" 1
747 1 57 GLN H 1 59 GLY H . . 5.060 4.352 3.928 4.688 . 0 0 "[ . 1 . 2]" 1
748 1 57 GLN HA 1 57 GLN HE21 . . 4.890 3.421 2.993 4.545 . 0 0 "[ . 1 . 2]" 1
749 1 57 GLN HA 1 57 GLN HE22 . . 5.120 4.845 4.595 5.501 0.381 13 0 "[ . 1 . 2]" 1
750 1 57 GLN HA 1 57 GLN HG2 . . 3.340 2.138 1.989 3.860 0.520 13 1 "[ . 1 + . 2]" 1
751 1 57 GLN HA 1 57 GLN HG3 . . 3.270 3.262 3.200 3.404 0.134 2 0 "[ . 1 . 2]" 1
752 1 57 GLN QB 1 58 GLU H . . 3.440 2.684 2.452 3.373 . 0 0 "[ . 1 . 2]" 1
753 1 57 GLN HE22 1 57 GLN HG2 . . 4.110 3.601 3.445 4.157 0.047 2 0 "[ . 1 . 2]" 1
754 1 57 GLN HG2 1 58 GLU H . . 5.120 4.787 2.496 4.987 . 0 0 "[ . 1 . 2]" 1
755 1 58 GLU H 1 58 GLU HB2 . . 3.780 2.192 2.028 3.546 . 0 0 "[ . 1 . 2]" 1
756 1 58 GLU H 1 58 GLU QG . . 4.080 3.578 1.912 4.037 . 0 0 "[ . 1 . 2]" 1
757 1 58 GLU H 1 59 GLY H . . 3.700 2.792 2.654 2.930 . 0 0 "[ . 1 . 2]" 1
758 1 58 GLU H 1 59 GLY HA3 . . 4.950 5.182 5.100 5.229 0.279 19 0 "[ . 1 . 2]" 1
759 1 58 GLU HA 1 58 GLU QG . . 3.230 2.514 2.055 3.323 0.093 9 0 "[ . 1 . 2]" 1
760 1 58 GLU HB2 1 59 GLY H . . 4.720 3.292 2.741 3.797 . 0 0 "[ . 1 . 2]" 1
761 1 58 GLU HB3 1 59 GLY H . . 4.290 2.683 2.211 4.064 . 0 0 "[ . 1 . 2]" 1
762 1 58 GLU QG 1 59 GLY H . . 4.890 4.082 1.914 4.535 . 0 0 "[ . 1 . 2]" 1
763 1 59 GLY H 1 60 THR H . . 4.430 2.396 2.105 2.641 . 0 0 "[ . 1 . 2]" 1
764 1 60 THR H 1 60 THR MG . . 3.560 3.609 3.564 3.672 0.112 9 0 "[ . 1 . 2]" 1
765 1 60 THR H 1 61 ILE H . . 4.070 2.458 2.293 2.725 . 0 0 "[ . 1 . 2]" 1
766 1 60 THR H 1 61 ILE HB . . 5.150 4.855 4.683 5.166 0.016 11 0 "[ . 1 . 2]" 1
767 1 60 THR HA 1 60 THR MG . . 3.000 2.531 2.189 2.647 . 0 0 "[ . 1 . 2]" 1
768 1 60 THR HA 1 62 GLN HE21 . . 4.450 3.620 2.980 4.219 . 0 0 "[ . 1 . 2]" 1
769 1 60 THR HA 1 62 GLN HE22 . . 4.960 4.746 4.167 4.959 . 0 0 "[ . 1 . 2]" 1
770 1 60 THR HA 1 62 GLN QG . . 4.520 4.157 3.665 4.470 . 0 0 "[ . 1 . 2]" 1
771 1 60 THR HB 1 61 ILE H . . 4.480 2.721 2.518 2.844 . 0 0 "[ . 1 . 2]" 1
772 1 60 THR MG 1 61 ILE H . . 4.700 3.210 2.958 3.864 . 0 0 "[ . 1 . 2]" 1
773 1 60 THR MG 1 61 ILE HA . . 4.310 3.536 3.277 4.311 0.001 16 0 "[ . 1 . 2]" 1
774 1 61 ILE H 1 61 ILE HB . . 3.720 2.557 2.435 2.667 . 0 0 "[ . 1 . 2]" 1
775 1 61 ILE H 1 61 ILE MD . . 3.900 3.559 3.303 3.783 . 0 0 "[ . 1 . 2]" 1
776 1 61 ILE H 1 61 ILE HG12 . . 4.190 3.340 3.033 3.612 . 0 0 "[ . 1 . 2]" 1
777 1 61 ILE H 1 61 ILE HG13 . . 4.100 2.092 1.941 2.383 . 0 0 "[ . 1 . 2]" 1
778 1 61 ILE H 1 61 ILE MG . . 3.870 3.767 3.740 3.794 . 0 0 "[ . 1 . 2]" 1
779 1 61 ILE HA 1 61 ILE HG12 . . 3.850 2.675 2.497 2.807 . 0 0 "[ . 1 . 2]" 1
780 1 61 ILE HA 1 61 ILE HG13 . . 3.520 3.144 2.891 3.313 . 0 0 "[ . 1 . 2]" 1
781 1 61 ILE HA 1 61 ILE MG . . 3.210 2.329 2.212 2.447 . 0 0 "[ . 1 . 2]" 1
782 1 61 ILE HA 1 62 GLN H . . 3.200 2.253 2.223 2.280 . 0 0 "[ . 1 . 2]" 1
783 1 61 ILE HA 1 62 GLN QG . . 4.530 4.242 4.041 4.377 . 0 0 "[ . 1 . 2]" 1
784 1 61 ILE HA 1 100 THR MG . . 4.100 3.519 3.082 3.721 . 0 0 "[ . 1 . 2]" 1
785 1 61 ILE HB 1 61 ILE MD . . 2.920 2.276 2.058 2.430 . 0 0 "[ . 1 . 2]" 1
786 1 61 ILE HB 1 62 GLN H . . 4.890 4.490 4.412 4.561 . 0 0 "[ . 1 . 2]" 1
787 1 61 ILE MD 1 61 ILE MG . . 2.560 2.081 1.921 2.410 . 0 0 "[ . 1 . 2]" 1
788 1 61 ILE MD 1 98 ILE H . . 5.090 4.182 4.003 4.319 . 0 0 "[ . 1 . 2]" 1
789 1 61 ILE MD 1 98 ILE HB . . 3.490 2.149 1.952 2.318 . 0 0 "[ . 1 . 2]" 1
790 1 61 ILE MD 1 98 ILE MD . . 2.930 1.980 1.864 2.163 . 0 0 "[ . 1 . 2]" 1
791 1 61 ILE MD 1 98 ILE HG12 . . 4.130 2.731 2.409 3.091 . 0 0 "[ . 1 . 2]" 1
792 1 61 ILE MD 1 98 ILE HG13 . . 4.190 3.809 3.586 3.992 . 0 0 "[ . 1 . 2]" 1
793 1 61 ILE MD 1 98 ILE MG . . 2.790 2.351 1.935 2.630 . 0 0 "[ . 1 . 2]" 1
794 1 61 ILE HG12 1 61 ILE MG . . 3.360 2.362 2.159 2.519 . 0 0 "[ . 1 . 2]" 1
795 1 61 ILE HG12 1 100 THR MG . . 3.880 2.813 2.357 3.129 . 0 0 "[ . 1 . 2]" 1
796 1 61 ILE HG13 1 61 ILE MG . . 3.690 3.228 3.193 3.240 . 0 0 "[ . 1 . 2]" 1
797 1 61 ILE HG13 1 98 ILE MG . . 4.340 4.137 3.707 4.357 0.017 18 0 "[ . 1 . 2]" 1
798 1 61 ILE MG 1 62 GLN H . . 3.390 3.383 3.260 3.456 0.066 8 0 "[ . 1 . 2]" 1
799 1 61 ILE MG 1 62 GLN HA . . 4.150 4.116 4.017 4.174 0.024 4 0 "[ . 1 . 2]" 1
800 1 61 ILE MG 1 98 ILE HB . . 4.260 4.208 4.050 4.285 0.025 8 0 "[ . 1 . 2]" 1
801 1 61 ILE MG 1 98 ILE MG . . 3.210 2.862 2.716 3.064 . 0 0 "[ . 1 . 2]" 1
802 1 61 ILE MG 1 100 THR MG . . 3.320 2.902 2.526 3.187 . 0 0 "[ . 1 . 2]" 1
803 1 62 GLN H 1 62 GLN HB2 . . 3.860 2.423 2.362 2.479 . 0 0 "[ . 1 . 2]" 1
804 1 62 GLN H 1 62 GLN HB3 . . 4.130 3.621 3.588 3.659 . 0 0 "[ . 1 . 2]" 1
805 1 62 GLN H 1 62 GLN QG . . 4.040 2.929 2.552 3.117 . 0 0 "[ . 1 . 2]" 1
806 1 62 GLN H 1 65 ASN HB2 . . 5.140 3.054 2.580 4.514 . 0 0 "[ . 1 . 2]" 1
807 1 62 GLN H 1 65 ASN HD21 . . 4.850 4.319 3.507 4.763 . 0 0 "[ . 1 . 2]" 1
808 1 62 GLN H 1 65 ASN HD22 . . 4.570 3.799 2.438 4.120 . 0 0 "[ . 1 . 2]" 1
809 1 62 GLN H 1 100 THR MG . . 4.960 4.937 4.630 4.997 0.037 10 0 "[ . 1 . 2]" 1
810 1 62 GLN HA 1 62 GLN QG . . 3.360 2.333 2.288 2.409 . 0 0 "[ . 1 . 2]" 1
811 1 62 GLN HA 1 63 LYS H . . 3.200 2.246 2.212 2.312 . 0 0 "[ . 1 . 2]" 1
812 1 62 GLN HA 1 63 LYS HB3 . . 4.250 4.281 4.216 4.346 0.096 11 0 "[ . 1 . 2]" 1
813 1 62 GLN HB2 1 65 ASN H . . 4.960 4.497 4.243 5.046 0.086 14 0 "[ . 1 . 2]" 1
814 1 62 GLN HB2 1 65 ASN HD21 . . 4.600 4.244 3.170 4.697 0.097 20 0 "[ . 1 . 2]" 1
815 1 62 GLN HB2 1 65 ASN HD22 . . 4.230 3.302 2.700 3.584 . 0 0 "[ . 1 . 2]" 1
816 1 62 GLN HB3 1 63 LYS H . . 3.800 3.243 2.962 3.456 . 0 0 "[ . 1 . 2]" 1
817 1 62 GLN QG 1 63 LYS H . . 3.970 3.917 3.763 4.049 0.079 14 0 "[ . 1 . 2]" 1
818 1 63 LYS H 1 63 LYS HB2 . . 3.390 3.072 2.778 3.331 . 0 0 "[ . 1 . 2]" 1
819 1 63 LYS H 1 63 LYS HB3 . . 3.400 2.088 2.009 2.221 . 0 0 "[ . 1 . 2]" 1
820 1 63 LYS H 1 63 LYS HD3 . . 4.640 4.665 4.104 5.242 0.602 1 2 "[+ . 1 . -2]" 1
821 1 63 LYS H 1 63 LYS QE . . 4.340 4.103 3.266 4.363 0.023 11 0 "[ . 1 . 2]" 1
822 1 63 LYS H 1 63 LYS HG2 . . 4.350 3.726 3.238 4.180 . 0 0 "[ . 1 . 2]" 1
823 1 63 LYS H 1 63 LYS HG3 . . 4.730 4.413 4.270 4.515 . 0 0 "[ . 1 . 2]" 1
824 1 63 LYS HA 1 63 LYS HG2 . . 3.830 3.546 3.383 3.633 . 0 0 "[ . 1 . 2]" 1
825 1 63 LYS HA 1 63 LYS HG3 . . 4.040 3.196 2.883 3.524 . 0 0 "[ . 1 . 2]" 1
826 1 63 LYS HA 1 64 GLY H . . 3.230 2.195 2.176 2.222 . 0 0 "[ . 1 . 2]" 1
827 1 63 LYS HA 1 65 ASN H . . 4.370 3.406 3.254 3.527 . 0 0 "[ . 1 . 2]" 1
828 1 63 LYS HB2 1 63 LYS QE . . 4.480 3.413 2.113 4.096 . 0 0 "[ . 1 . 2]" 1
829 1 63 LYS HB2 1 64 GLY H . . 4.580 3.836 3.430 4.269 . 0 0 "[ . 1 . 2]" 1
830 1 63 LYS HB3 1 64 GLY H . . 4.610 4.566 4.459 4.655 0.045 11 0 "[ . 1 . 2]" 1
831 1 63 LYS HD2 1 63 LYS HG3 . . 3.050 2.412 2.266 3.054 0.004 18 0 "[ . 1 . 2]" 1
832 1 63 LYS QE 1 63 LYS HG2 . . 3.470 2.396 2.023 3.337 . 0 0 "[ . 1 . 2]" 1
833 1 63 LYS QE 1 63 LYS HG3 . . 3.510 3.152 2.409 3.488 . 0 0 "[ . 1 . 2]" 1
834 1 63 LYS HG2 1 64 GLY H . . 4.120 4.061 3.893 4.198 0.078 18 0 "[ . 1 . 2]" 1
835 1 63 LYS HG3 1 64 GLY H . . 4.120 3.471 3.299 3.616 . 0 0 "[ . 1 . 2]" 1
836 1 63 LYS HG3 1 64 GLY HA2 . . 4.460 4.071 3.931 4.205 . 0 0 "[ . 1 . 2]" 1
837 1 64 GLY H 1 65 ASN H . . 3.920 2.363 1.884 2.776 . 0 0 "[ . 1 . 2]" 1
838 1 65 ASN H 1 65 ASN HB2 . . 3.690 2.229 2.031 2.526 . 0 0 "[ . 1 . 2]" 1
839 1 65 ASN H 1 65 ASN HB3 . . 3.970 3.465 3.249 3.626 . 0 0 "[ . 1 . 2]" 1
840 1 65 ASN H 1 65 ASN HD21 . . 4.370 3.675 2.438 4.374 0.004 8 0 "[ . 1 . 2]" 1
841 1 65 ASN H 1 65 ASN HD22 . . 5.180 4.505 3.922 5.131 . 0 0 "[ . 1 . 2]" 1
842 1 65 ASN H 1 66 GLU H . . 4.800 4.582 4.480 4.671 . 0 0 "[ . 1 . 2]" 1
843 1 65 ASN HB2 1 66 GLU H . . 4.580 3.709 3.066 4.406 . 0 0 "[ . 1 . 2]" 1
844 1 65 ASN HB2 1 100 THR HB . . 4.460 4.229 3.500 4.461 0.001 19 0 "[ . 1 . 2]" 1
845 1 65 ASN HB2 1 100 THR MG . . 4.100 3.947 3.300 4.100 . 13 0 "[ . 1 . 2]" 1
846 1 65 ASN HB3 1 66 GLU H . . 4.200 2.368 1.898 3.368 . 0 0 "[ . 1 . 2]" 1
847 1 65 ASN HB3 1 100 THR HB . . 3.810 2.805 2.372 3.162 . 0 0 "[ . 1 . 2]" 1
848 1 65 ASN HB3 1 100 THR MG . . 3.940 3.227 2.630 3.788 . 0 0 "[ . 1 . 2]" 1
849 1 65 ASN HB3 1 101 ARG H . . 4.670 4.520 4.005 4.705 0.035 16 0 "[ . 1 . 2]" 1
850 1 65 ASN HD21 1 66 GLU H . . 5.230 3.457 2.458 4.352 . 0 0 "[ . 1 . 2]" 1
851 1 65 ASN HD21 1 102 LYS HA . . 4.540 4.387 2.864 5.062 0.522 1 2 "[+ .- 1 . 2]" 1
852 1 65 ASN HD21 1 102 LYS QE . . 5.090 4.857 4.325 5.129 0.039 12 0 "[ . 1 . 2]" 1
853 1 65 ASN HD21 1 103 LEU H . . 5.240 3.712 2.874 5.095 . 0 0 "[ . 1 . 2]" 1
854 1 65 ASN HD22 1 102 LYS HA . . 5.050 3.877 2.573 5.053 0.003 11 0 "[ . 1 . 2]" 1
855 1 65 ASN HD22 1 102 LYS QE . . 4.810 3.788 2.966 4.548 . 0 0 "[ . 1 . 2]" 1
856 1 66 GLU H 1 66 GLU QB . . 3.520 2.293 2.089 2.657 . 0 0 "[ . 1 . 2]" 1
857 1 66 GLU H 1 100 THR HB . . 4.700 3.405 2.574 4.585 . 0 0 "[ . 1 . 2]" 1
858 1 66 GLU H 1 101 ARG H . . 4.410 3.586 2.925 4.427 0.017 9 0 "[ . 1 . 2]" 1
859 1 66 GLU H 1 103 LEU MD1 . . 3.840 2.310 1.867 3.827 . 0 0 "[ . 1 . 2]" 1
860 1 66 GLU H 1 103 LEU MD2 . . 4.180 3.952 2.150 4.196 0.016 9 0 "[ . 1 . 2]" 1
861 1 66 GLU H 1 103 LEU HG . . 4.050 3.658 3.087 4.065 0.015 11 0 "[ . 1 . 2]" 1
862 1 66 GLU HA 1 66 GLU HG2 . . 4.090 3.654 3.291 3.879 . 0 0 "[ . 1 . 2]" 1
863 1 66 GLU HA 1 66 GLU HG3 . . 4.270 2.835 2.594 4.245 . 0 0 "[ . 1 . 2]" 1
864 1 66 GLU HA 1 67 VAL H . . 3.600 2.278 2.203 3.461 . 0 0 "[ . 1 . 2]" 1
865 1 66 GLU QB 1 101 ARG H . . 4.340 3.420 2.747 4.410 0.070 11 0 "[ . 1 . 2]" 1
866 1 66 GLU QB 1 101 ARG HE . . 5.140 3.880 2.029 5.159 0.019 16 0 "[ . 1 . 2]" 1
867 1 66 GLU QB 1 103 LEU MD1 . . 3.110 1.872 1.740 2.011 . 0 0 "[ . 1 . 2]" 1
868 1 66 GLU QB 1 103 LEU MD2 . . 3.270 2.790 1.884 3.253 . 0 0 "[ . 1 . 2]" 1
869 1 66 GLU HG2 1 67 VAL H . . 3.970 4.008 3.382 4.373 0.403 14 0 "[ . 1 . 2]" 1
870 1 66 GLU HG2 1 68 LEU MD1 . . 4.360 3.913 3.123 5.042 0.682 14 1 "[ . 1 +. 2]" 1
871 1 66 GLU HG2 1 68 LEU MD2 . . 3.840 2.218 1.961 2.963 . 0 0 "[ . 1 . 2]" 1
872 1 66 GLU HG2 1 103 LEU MD1 . . 4.130 4.106 3.831 4.329 0.199 16 0 "[ . 1 . 2]" 1
873 1 66 GLU HG3 1 67 VAL H . . 4.180 2.993 2.375 4.432 0.252 11 0 "[ . 1 . 2]" 1
874 1 66 GLU HG3 1 68 LEU MD2 . . 3.140 3.165 2.669 3.727 0.587 18 1 "[ . 1 . + 2]" 1
875 1 67 VAL H 1 67 VAL HB . . 3.600 2.472 2.340 3.580 . 0 0 "[ . 1 . 2]" 1
876 1 67 VAL H 1 67 VAL MG1 . . 3.760 3.744 3.706 3.846 0.086 11 0 "[ . 1 . 2]" 1
877 1 67 VAL H 1 67 VAL MG2 . . 3.210 2.377 2.109 2.554 . 0 0 "[ . 1 . 2]" 1
878 1 67 VAL HA 1 67 VAL MG1 . . 3.160 2.439 2.344 2.494 . 0 0 "[ . 1 . 2]" 1
879 1 67 VAL HA 1 67 VAL MG2 . . 3.200 2.379 2.257 2.553 . 0 0 "[ . 1 . 2]" 1
880 1 67 VAL HA 1 68 LEU H . . 3.430 2.230 2.182 2.331 . 0 0 "[ . 1 . 2]" 1
881 1 67 VAL HA 1 68 LEU HG . . 4.380 3.792 3.468 4.326 . 0 0 "[ . 1 . 2]" 1
882 1 67 VAL HA 1 69 SER H . . 4.380 3.910 3.740 4.073 . 0 0 "[ . 1 . 2]" 1
883 1 67 VAL HA 1 100 THR HA . . 3.850 3.706 3.230 3.851 0.001 14 0 "[ . 1 . 2]" 1
884 1 67 VAL HA 1 100 THR MG . . 3.690 2.049 1.947 2.189 . 0 0 "[ . 1 . 2]" 1
885 1 67 VAL HB 1 68 LEU H . . 5.050 4.466 4.314 4.577 . 0 0 "[ . 1 . 2]" 1
886 1 67 VAL HB 1 69 SER H . . 5.340 5.355 5.279 5.415 0.075 9 0 "[ . 1 . 2]" 1
887 1 67 VAL MG1 1 68 LEU H . . 3.510 3.141 2.663 3.542 0.032 16 0 "[ . 1 . 2]" 1
888 1 67 VAL MG1 1 68 LEU HA . . 4.490 4.250 3.941 4.537 0.047 14 0 "[ . 1 . 2]" 1
889 1 67 VAL MG1 1 69 SER H . . 3.520 2.922 2.755 3.262 . 0 0 "[ . 1 . 2]" 1
890 1 67 VAL MG1 1 100 THR MG . . 3.250 3.235 2.922 3.286 0.036 16 0 "[ . 1 . 2]" 1
891 1 67 VAL MG2 1 100 THR MG . . 2.960 2.594 2.105 2.899 . 0 0 "[ . 1 . 2]" 1
892 1 68 LEU H 1 68 LEU HB2 . . 4.130 2.585 2.483 2.650 . 0 0 "[ . 1 . 2]" 1
893 1 68 LEU H 1 68 LEU HB3 . . 4.080 3.572 3.536 3.625 . 0 0 "[ . 1 . 2]" 1
894 1 68 LEU H 1 68 LEU MD1 . . 3.560 3.121 2.755 3.338 . 0 0 "[ . 1 . 2]" 1
895 1 68 LEU H 1 68 LEU MD2 . . 3.810 3.564 3.278 3.791 . 0 0 "[ . 1 . 2]" 1
896 1 68 LEU H 1 68 LEU HG . . 3.700 2.096 1.929 2.267 . 0 0 "[ . 1 . 2]" 1
897 1 68 LEU H 1 69 SER H . . 3.580 2.580 2.333 3.119 . 0 0 "[ . 1 . 2]" 1
898 1 68 LEU H 1 98 ILE MG . . 4.360 4.054 3.765 4.322 . 0 0 "[ . 1 . 2]" 1
899 1 68 LEU H 1 99 VAL H . . 5.100 4.125 3.672 4.619 . 0 0 "[ . 1 . 2]" 1
900 1 68 LEU H 1 99 VAL HB . . 4.990 3.912 3.744 4.215 . 0 0 "[ . 1 . 2]" 1
901 1 68 LEU H 1 100 THR HA . . 3.640 3.169 2.780 3.409 . 0 0 "[ . 1 . 2]" 1
902 1 68 LEU H 1 100 THR MG . . 3.590 2.968 2.776 3.172 . 0 0 "[ . 1 . 2]" 1
903 1 68 LEU H 1 101 ARG H . . 5.310 5.118 4.724 5.321 0.011 3 0 "[ . 1 . 2]" 1
904 1 68 LEU HA 1 68 LEU MD2 . . 2.760 2.547 2.308 2.701 . 0 0 "[ . 1 . 2]" 1
905 1 68 LEU HA 1 68 LEU HG . . 3.480 2.938 2.632 3.092 . 0 0 "[ . 1 . 2]" 1
906 1 68 LEU HB2 1 68 LEU MD1 . . 3.450 2.080 1.976 2.220 . 0 0 "[ . 1 . 2]" 1
907 1 68 LEU HB2 1 69 SER H . . 3.870 2.514 2.273 2.601 . 0 0 "[ . 1 . 2]" 1
908 1 68 LEU HB2 1 99 VAL H . . 4.790 4.042 3.618 4.280 . 0 0 "[ . 1 . 2]" 1
909 1 68 LEU HB2 1 99 VAL HB . . 3.960 2.326 2.038 2.467 . 0 0 "[ . 1 . 2]" 1
910 1 68 LEU HB2 1 99 VAL MG1 . . 3.280 3.143 2.923 3.295 0.015 19 0 "[ . 1 . 2]" 1
911 1 68 LEU HB3 1 68 LEU MD2 . . 3.110 2.121 2.043 2.264 . 0 0 "[ . 1 . 2]" 1
912 1 68 LEU HB3 1 69 SER H . . 4.040 3.728 3.360 3.840 . 0 0 "[ . 1 . 2]" 1
913 1 68 LEU HB3 1 99 VAL HB . . 4.040 3.877 3.340 4.048 0.008 17 0 "[ . 1 . 2]" 1
914 1 68 LEU MD1 1 69 SER H . . 3.940 3.944 3.839 3.999 0.059 9 0 "[ . 1 . 2]" 1
915 1 68 LEU MD1 1 99 VAL H . . 4.380 4.302 4.083 4.400 0.020 12 0 "[ . 1 . 2]" 1
916 1 68 LEU MD1 1 100 THR HA . . 3.740 2.445 2.119 2.737 . 0 0 "[ . 1 . 2]" 1
917 1 68 LEU MD1 1 101 ARG H . . 3.880 3.277 2.693 3.777 . 0 0 "[ . 1 . 2]" 1
918 1 68 LEU MD1 1 101 ARG HD2 . . 3.320 2.444 1.854 3.288 . 0 0 "[ . 1 . 2]" 1
919 1 68 LEU MD1 1 101 ARG HD3 . . 3.330 2.692 2.071 3.251 . 0 0 "[ . 1 . 2]" 1
920 1 68 LEU MD1 1 101 ARG HE . . 4.440 4.337 4.025 4.478 0.038 16 0 "[ . 1 . 2]" 1
921 1 68 LEU MD2 1 100 THR HA . . 4.530 4.046 3.689 4.407 . 0 0 "[ . 1 . 2]" 1
922 1 68 LEU MD2 1 101 ARG HD2 . . 3.930 2.379 1.898 3.080 . 0 0 "[ . 1 . 2]" 1
923 1 68 LEU MD2 1 101 ARG HE . . 4.230 3.170 2.630 3.899 . 0 0 "[ . 1 . 2]" 1
924 1 68 LEU HG 1 69 SER H . . 4.460 4.167 3.977 4.485 0.025 18 0 "[ . 1 . 2]" 1
925 1 68 LEU HG 1 100 THR H . . 5.460 5.147 4.880 5.514 0.054 16 0 "[ . 1 . 2]" 1
926 1 68 LEU HG 1 100 THR HA . . 4.170 2.771 2.398 3.143 . 0 0 "[ . 1 . 2]" 1
927 1 69 SER H 1 75 LEU H . . 5.500 5.492 5.290 5.594 0.094 11 0 "[ . 1 . 2]" 1
928 1 69 SER H 1 98 ILE MG . . 3.770 3.717 3.487 3.799 0.029 3 0 "[ . 1 . 2]" 1
929 1 69 SER H 1 99 VAL H . . 4.060 2.806 2.624 3.038 . 0 0 "[ . 1 . 2]" 1
930 1 69 SER H 1 99 VAL HB . . 3.850 2.981 2.761 3.197 . 0 0 "[ . 1 . 2]" 1
931 1 69 SER H 1 99 VAL MG2 . . 4.020 3.678 3.284 3.930 . 0 0 "[ . 1 . 2]" 1
932 1 69 SER H 1 100 THR HA . . 5.170 5.151 5.004 5.207 0.037 8 0 "[ . 1 . 2]" 1
933 1 69 SER H 1 100 THR MG . . 4.980 4.166 3.992 4.330 . 0 0 "[ . 1 . 2]" 1
934 1 69 SER HA 1 70 ILE H . . 3.340 2.546 2.431 2.676 . 0 0 "[ . 1 . 2]" 1
935 1 69 SER HA 1 73 LYS H . . 4.800 4.809 4.649 4.871 0.071 11 0 "[ . 1 . 2]" 1
936 1 69 SER HA 1 74 SER HA . . 4.070 2.759 2.388 3.347 . 0 0 "[ . 1 . 2]" 1
937 1 69 SER HA 1 75 LEU H . . 4.130 3.448 3.249 3.631 . 0 0 "[ . 1 . 2]" 1
938 1 69 SER HA 1 75 LEU MD1 . . 3.710 3.659 3.425 3.756 0.046 18 0 "[ . 1 . 2]" 1
939 1 69 SER HA 1 75 LEU MD2 . . 3.760 3.006 2.775 3.192 . 0 0 "[ . 1 . 2]" 1
940 1 69 SER HA 1 75 LEU HG . . 3.870 2.729 2.454 2.837 . 0 0 "[ . 1 . 2]" 1
941 1 69 SER HB2 1 70 ILE H . . 3.440 2.561 2.131 3.340 . 0 0 "[ . 1 . 2]" 1
942 1 69 SER HB2 1 73 LYS H . . 4.460 3.349 2.966 4.293 . 0 0 "[ . 1 . 2]" 1
943 1 69 SER HB2 1 74 SER HA . . 3.720 2.419 1.996 3.580 . 0 0 "[ . 1 . 2]" 1
944 1 69 SER HB2 1 75 LEU H . . 5.060 4.456 4.101 5.133 0.073 12 0 "[ . 1 . 2]" 1
945 1 69 SER HB3 1 70 ILE H . . 4.190 3.829 2.511 4.097 . 0 0 "[ . 1 . 2]" 1
946 1 69 SER HB3 1 74 SER HA . . 3.650 2.295 1.986 2.751 . 0 0 "[ . 1 . 2]" 1
947 1 69 SER HB3 1 75 LEU H . . 4.630 4.005 3.379 4.360 . 0 0 "[ . 1 . 2]" 1
948 1 69 SER HB3 1 99 VAL MG2 . . 4.410 4.018 3.682 4.422 0.012 12 0 "[ . 1 . 2]" 1
949 1 70 ILE H 1 70 ILE HB . . 3.720 2.708 2.583 2.824 . 0 0 "[ . 1 . 2]" 1
950 1 70 ILE H 1 70 ILE MG . . 4.260 3.668 2.934 3.847 . 0 0 "[ . 1 . 2]" 1
951 1 70 ILE H 1 71 ASN H . . 4.900 4.136 3.989 4.277 . 0 0 "[ . 1 . 2]" 1
952 1 70 ILE H 1 74 SER HA . . 4.320 4.065 3.813 4.337 0.017 11 0 "[ . 1 . 2]" 1
953 1 70 ILE H 1 75 LEU MD2 . . 3.730 3.714 3.493 3.754 0.024 19 0 "[ . 1 . 2]" 1
954 1 70 ILE HA 1 70 ILE MD . . 3.850 3.523 2.407 3.812 . 0 0 "[ . 1 . 2]" 1
955 1 70 ILE HA 1 70 ILE HG12 . . 4.190 2.380 2.160 2.551 . 0 0 "[ . 1 . 2]" 1
956 1 70 ILE HA 1 70 ILE HG13 . . 4.130 2.962 2.259 3.570 . 0 0 "[ . 1 . 2]" 1
957 1 70 ILE HA 1 70 ILE MG . . 3.160 2.623 2.492 3.062 . 0 0 "[ . 1 . 2]" 1
958 1 70 ILE HA 1 99 VAL H . . 4.800 3.990 3.664 4.188 . 0 0 "[ . 1 . 2]" 1
959 1 70 ILE HB 1 70 ILE MD . . 3.070 2.494 2.178 3.146 0.076 6 0 "[ . 1 . 2]" 1
960 1 70 ILE HB 1 71 ASN H . . 4.890 4.479 4.310 4.630 . 0 0 "[ . 1 . 2]" 1
961 1 70 ILE MD 1 70 ILE MG . . 2.500 1.898 1.816 2.097 . 0 0 "[ . 1 . 2]" 1
962 1 70 ILE MD 1 87 LEU HA . . 3.320 3.281 2.658 3.355 0.035 17 0 "[ . 1 . 2]" 1
963 1 70 ILE MD 1 87 LEU MD2 . . 2.980 2.756 2.131 2.990 0.010 11 0 "[ . 1 . 2]" 1
964 1 70 ILE HG12 1 99 VAL H . . 5.090 4.638 4.193 6.032 0.942 13 2 "[ . 1 + . -]" 1
965 1 70 ILE MG 1 71 ASN H . . 3.500 2.902 2.428 3.490 . 0 0 "[ . 1 . 2]" 1
966 1 70 ILE MG 1 71 ASN HA . . 4.420 3.846 3.604 4.224 . 0 0 "[ . 1 . 2]" 1
967 1 70 ILE MG 1 71 ASN HB2 . . 3.960 2.581 2.317 3.734 . 0 0 "[ . 1 . 2]" 1
968 1 70 ILE MG 1 71 ASN HB3 . . 3.730 3.775 3.501 4.080 0.350 11 0 "[ . 1 . 2]" 1
969 1 70 ILE MG 1 71 ASN HD21 . . 3.940 3.522 2.948 3.951 0.011 13 0 "[ . 1 . 2]" 1
970 1 70 ILE MG 1 71 ASN HD22 . . 5.140 4.543 2.170 5.118 . 0 0 "[ . 1 . 2]" 1
971 1 70 ILE MG 1 87 LEU HA . . 3.430 2.657 2.156 3.403 . 0 0 "[ . 1 . 2]" 1
972 1 70 ILE MG 1 87 LEU MD2 . . 3.620 2.916 2.595 3.387 . 0 0 "[ . 1 . 2]" 1
973 1 70 ILE MG 1 90 ALA H . . 4.340 4.004 3.706 4.209 . 0 0 "[ . 1 . 2]" 1
974 1 70 ILE MG 1 90 ALA HA . . 4.260 4.226 4.013 4.296 0.036 16 0 "[ . 1 . 2]" 1
975 1 70 ILE MG 1 90 ALA MB . . 2.570 2.073 1.912 2.259 . 0 0 "[ . 1 . 2]" 1
976 1 71 ASN H 1 72 GLY H . . 4.270 2.543 2.393 2.611 . 0 0 "[ . 1 . 2]" 1
977 1 71 ASN H 1 73 LYS H . . 5.150 4.121 4.012 4.185 . 0 0 "[ . 1 . 2]" 1
978 1 71 ASN H 1 97 VAL H . . 4.230 2.691 2.338 3.135 . 0 0 "[ . 1 . 2]" 1
979 1 71 ASN H 1 97 VAL HB . . 4.150 3.221 2.787 3.914 . 0 0 "[ . 1 . 2]" 1
980 1 71 ASN HA 1 97 VAL H . . 4.220 2.267 1.934 3.195 . 0 0 "[ . 1 . 2]" 1
981 1 71 ASN HA 1 97 VAL HB . . 3.730 2.510 2.052 2.893 . 0 0 "[ . 1 . 2]" 1
982 1 71 ASN HA 1 97 VAL MG1 . . 3.620 3.444 2.744 3.645 0.025 18 0 "[ . 1 . 2]" 1
983 1 71 ASN HB3 1 73 LYS H . . 4.850 3.478 3.164 4.718 . 0 0 "[ . 1 . 2]" 1
984 1 71 ASN HD21 1 90 ALA HA . . 3.880 3.358 2.900 3.930 0.050 17 0 "[ . 1 . 2]" 1
985 1 71 ASN HD21 1 90 ALA MB . . 3.430 2.329 1.931 3.317 . 0 0 "[ . 1 . 2]" 1
986 1 71 ASN HD21 1 93 PRO QG . . 4.010 3.674 3.277 4.015 0.005 11 0 "[ . 1 . 2]" 1
987 1 71 ASN HD21 1 96 ALA HA . . 5.350 2.546 2.073 3.234 . 0 0 "[ . 1 . 2]" 1
988 1 71 ASN HD21 1 96 ALA MB . . 4.290 3.240 2.446 4.226 . 0 0 "[ . 1 . 2]" 1
989 1 71 ASN HD22 1 90 ALA HA . . 3.760 2.990 2.624 3.619 . 0 0 "[ . 1 . 2]" 1
990 1 71 ASN HD22 1 90 ALA MB . . 4.610 2.930 1.733 3.622 . 0 0 "[ . 1 . 2]" 1
991 1 71 ASN HD22 1 93 PRO QG . . 4.020 2.563 1.980 3.993 . 0 0 "[ . 1 . 2]" 1
992 1 71 ASN HD22 1 96 ALA HA . . 4.290 2.934 2.340 3.389 . 0 0 "[ . 1 . 2]" 1
993 1 71 ASN HD22 1 96 ALA MB . . 4.100 3.706 3.091 4.110 0.010 20 0 "[ . 1 . 2]" 1
994 1 71 ASN HD22 1 97 VAL H . . 5.100 3.777 3.055 4.310 . 0 0 "[ . 1 . 2]" 1
995 1 72 GLY H 1 97 VAL HB . . 5.070 3.991 3.560 4.627 . 0 0 "[ . 1 . 2]" 1
996 1 72 GLY H 1 97 VAL MG1 . . 4.880 2.804 2.394 3.552 . 0 0 "[ . 1 . 2]" 1
997 1 73 LYS H 1 73 LYS HB2 . . 3.350 2.779 2.139 3.247 . 0 0 "[ . 1 . 2]" 1
998 1 73 LYS H 1 73 LYS HB3 . . 3.580 2.703 2.194 3.489 . 0 0 "[ . 1 . 2]" 1
999 1 73 LYS H 1 73 LYS QD . . 4.650 4.383 4.223 4.483 . 0 0 "[ . 1 . 2]" 1
1000 1 73 LYS H 1 73 LYS QG . . 3.690 3.508 2.960 3.782 0.092 3 0 "[ . 1 . 2]" 1
1001 1 73 LYS H 1 74 SER H . . 4.560 4.363 4.293 4.450 . 0 0 "[ . 1 . 2]" 1
1002 1 73 LYS HA 1 73 LYS QG . . 3.390 2.451 2.030 2.705 . 0 0 "[ . 1 . 2]" 1
1003 1 73 LYS HA 1 74 SER H . . 3.070 2.182 2.177 2.194 . 0 0 "[ . 1 . 2]" 1
1004 1 73 LYS HB2 1 73 LYS QD . . 3.810 2.613 2.443 3.232 . 0 0 "[ . 1 . 2]" 1
1005 1 73 LYS HB2 1 73 LYS QE . . 4.240 3.428 1.992 4.258 0.018 3 0 "[ . 1 . 2]" 1
1006 1 73 LYS HB2 1 74 SER H . . 4.510 4.376 4.128 4.672 0.162 11 0 "[ . 1 . 2]" 1
1007 1 73 LYS HB3 1 74 SER H . . 4.300 4.307 3.741 4.643 0.343 17 0 "[ . 1 . 2]" 1
1008 1 73 LYS QD 1 86 ILE MD . . 3.550 2.753 2.097 3.464 . 0 0 "[ . 1 . 2]" 1
1009 1 73 LYS QD 1 86 ILE HG12 . . 4.300 2.067 1.810 2.793 . 0 0 "[ . 1 . 2]" 1
1010 1 73 LYS QD 1 86 ILE MG . . 3.420 2.604 2.086 3.286 . 0 0 "[ . 1 . 2]" 1
1011 1 73 LYS QE 1 73 LYS QG . . 3.030 2.213 1.959 2.533 . 0 0 "[ . 1 . 2]" 1
1012 1 73 LYS QE 1 86 ILE MD . . 3.680 2.887 1.939 3.712 0.032 8 0 "[ . 1 . 2]" 1
1013 1 73 LYS QE 1 86 ILE MG . . 4.290 3.981 3.366 4.254 . 0 0 "[ . 1 . 2]" 1
1014 1 73 LYS QG 1 74 SER H . . 3.870 3.396 3.012 3.900 0.030 9 0 "[ . 1 . 2]" 1
1015 1 74 SER H 1 74 SER QB . . 3.430 2.648 2.022 2.919 . 0 0 "[ . 1 . 2]" 1
1016 1 74 SER H 1 75 LEU H . . 5.150 4.627 4.559 4.648 . 0 0 "[ . 1 . 2]" 1
1017 1 74 SER HA 1 75 LEU H . . 3.330 2.354 2.231 2.457 . 0 0 "[ . 1 . 2]" 1
1018 1 74 SER HA 1 75 LEU MD2 . . 3.900 3.901 3.702 3.935 0.035 4 0 "[ . 1 . 2]" 1
1019 1 74 SER HA 1 75 LEU HG . . 4.360 3.385 3.261 3.633 . 0 0 "[ . 1 . 2]" 1
1020 1 74 SER QB 1 75 LEU H . . 4.220 2.936 2.630 3.628 . 0 0 "[ . 1 . 2]" 1
1021 1 74 SER QB 1 76 LYS H . . 4.780 4.432 4.214 4.621 . 0 0 "[ . 1 . 2]" 1
1022 1 75 LEU H 1 75 LEU HB2 . . 4.050 2.697 2.665 2.752 . 0 0 "[ . 1 . 2]" 1
1023 1 75 LEU H 1 75 LEU HB3 . . 3.900 3.588 3.538 3.620 . 0 0 "[ . 1 . 2]" 1
1024 1 75 LEU H 1 75 LEU MD1 . . 3.550 3.373 3.287 3.556 0.006 11 0 "[ . 1 . 2]" 1
1025 1 75 LEU H 1 75 LEU MD2 . . 3.450 3.219 2.769 3.371 . 0 0 "[ . 1 . 2]" 1
1026 1 75 LEU H 1 75 LEU HG . . 3.660 1.954 1.912 2.007 . 0 0 "[ . 1 . 2]" 1
1027 1 75 LEU H 1 76 LYS HA . . 5.400 5.082 4.989 5.246 . 0 0 "[ . 1 . 2]" 1
1028 1 75 LEU HA 1 75 LEU MD2 . . 2.980 2.388 2.128 2.539 . 0 0 "[ . 1 . 2]" 1
1029 1 75 LEU HA 1 75 LEU HG . . 3.870 3.227 3.178 3.379 . 0 0 "[ . 1 . 2]" 1
1030 1 75 LEU HB2 1 75 LEU MD1 . . 2.830 2.289 2.246 2.345 . 0 0 "[ . 1 . 2]" 1
1031 1 75 LEU HB2 1 77 GLY H . . 4.910 3.580 3.366 3.823 . 0 0 "[ . 1 . 2]" 1
1032 1 75 LEU HB2 1 78 THR H . . 5.070 4.378 4.125 4.658 . 0 0 "[ . 1 . 2]" 1
1033 1 75 LEU HB3 1 75 LEU MD1 . . 3.600 2.475 2.393 2.560 . 0 0 "[ . 1 . 2]" 1
1034 1 75 LEU MD2 1 78 THR H . . 3.880 3.911 3.886 3.940 0.060 18 0 "[ . 1 . 2]" 1
1035 1 75 LEU MD2 1 78 THR HB . . 4.050 3.269 3.165 3.376 . 0 0 "[ . 1 . 2]" 1
1036 1 76 LYS H 1 76 LYS HB2 . . 3.280 3.592 3.560 3.620 0.340 6 0 "[ . 1 . 2]" 1
1037 1 76 LYS H 1 76 LYS QD . . 4.250 2.755 1.942 4.214 . 0 0 "[ . 1 . 2]" 1
1038 1 76 LYS H 1 76 LYS HG2 . . 4.150 2.492 1.943 3.146 . 0 0 "[ . 1 . 2]" 1
1039 1 76 LYS H 1 76 LYS HG3 . . 4.190 3.074 2.240 3.519 . 0 0 "[ . 1 . 2]" 1
1040 1 76 LYS H 1 77 GLY H . . 4.680 2.631 2.605 2.661 . 0 0 "[ . 1 . 2]" 1
1041 1 76 LYS H 1 78 THR H . . 5.040 3.234 3.205 3.292 . 0 0 "[ . 1 . 2]" 1
1042 1 76 LYS HA 1 76 LYS QD . . 3.670 3.656 3.611 3.689 0.019 13 0 "[ . 1 . 2]" 1
1043 1 76 LYS HA 1 76 LYS HG2 . . 3.680 3.800 3.563 4.207 0.527 10 7 "[ *- ** * + * . 2]" 1
1044 1 76 LYS HA 1 77 GLY H . . 3.220 3.161 3.147 3.181 . 0 0 "[ . 1 . 2]" 1
1045 1 76 LYS QD 1 76 LYS QE . . 2.430 2.099 2.061 2.136 . 0 0 "[ . 1 . 2]" 1
1046 1 76 LYS QD 1 76 LYS HG2 . . 2.680 2.305 2.179 2.566 . 0 0 "[ . 1 . 2]" 1
1047 1 76 LYS QD 1 77 GLY H . . 4.830 4.316 4.058 4.665 . 0 0 "[ . 1 . 2]" 1
1048 1 76 LYS QE 1 76 LYS HG2 . . 3.660 2.729 1.974 3.181 . 0 0 "[ . 1 . 2]" 1
1049 1 76 LYS QE 1 76 LYS HG3 . . 2.640 2.399 1.968 3.339 0.699 2 2 "[ + . - 1 . 2]" 1
1050 1 76 LYS HG2 1 77 GLY H . . 4.330 3.918 3.345 4.969 0.639 10 7 "[ ** ** * + - . 2]" 1
1051 1 76 LYS HG3 1 77 GLY H . . 4.960 4.403 3.342 4.978 0.018 1 0 "[ . 1 . 2]" 1
1052 1 77 GLY H 1 78 THR H . . 3.630 1.869 1.844 1.895 . 0 0 "[ . 1 . 2]" 1
1053 1 78 THR H 1 78 THR HB . . 3.480 2.956 2.883 3.033 . 0 0 "[ . 1 . 2]" 1
1054 1 78 THR H 1 78 THR MG . . 3.530 3.415 3.338 3.493 . 0 0 "[ . 1 . 2]" 1
1055 1 78 THR HA 1 78 THR MG . . 2.730 2.019 1.987 2.077 . 0 0 "[ . 1 . 2]" 1
1056 1 78 THR HA 1 79 THR H . . 3.200 2.245 2.214 2.290 . 0 0 "[ . 1 . 2]" 1
1057 1 78 THR HA 1 82 ASP HB2 . . 4.490 3.364 3.073 3.559 . 0 0 "[ . 1 . 2]" 1
1058 1 78 THR HA 1 82 ASP HB3 . . 4.640 3.778 3.568 4.060 . 0 0 "[ . 1 . 2]" 1
1059 1 78 THR HB 1 79 THR H . . 3.630 3.660 3.572 3.698 0.068 2 0 "[ . 1 . 2]" 1
1060 1 78 THR HB 1 82 ASP HB2 . . 3.810 3.635 3.226 3.824 0.014 20 0 "[ . 1 . 2]" 1
1061 1 78 THR HB 1 82 ASP HB3 . . 3.890 3.929 3.846 3.964 0.074 3 0 "[ . 1 . 2]" 1
1062 1 78 THR HB 1 83 ALA H . . 4.090 3.992 3.715 4.116 0.026 17 0 "[ . 1 . 2]" 1
1063 1 78 THR HB 1 83 ALA HA . . 4.360 3.392 3.151 3.618 . 0 0 "[ . 1 . 2]" 1
1064 1 78 THR HB 1 83 ALA MB . . 3.900 2.533 2.247 2.870 . 0 0 "[ . 1 . 2]" 1
1065 1 78 THR HB 1 86 ILE MD . . 4.510 3.845 3.473 4.377 . 0 0 "[ . 1 . 2]" 1
1066 1 78 THR MG 1 79 THR H . . 3.390 2.701 2.472 2.917 . 0 0 "[ . 1 . 2]" 1
1067 1 78 THR MG 1 82 ASP HA . . 3.620 3.704 3.637 3.746 0.126 5 0 "[ . 1 . 2]" 1
1068 1 78 THR MG 1 82 ASP HB2 . . 4.010 2.257 1.941 2.425 . 0 0 "[ . 1 . 2]" 1
1069 1 78 THR MG 1 82 ASP HB3 . . 3.380 1.753 1.749 1.760 . 0 0 "[ . 1 . 2]" 1
1070 1 78 THR MG 1 83 ALA H . . 3.610 3.492 3.383 3.646 0.036 3 0 "[ . 1 . 2]" 1
1071 1 78 THR MG 1 83 ALA HA . . 3.550 2.972 2.823 3.246 . 0 0 "[ . 1 . 2]" 1
1072 1 78 THR MG 1 86 ILE MD . . 2.890 2.141 1.855 2.625 . 0 0 "[ . 1 . 2]" 1
1073 1 79 THR H 1 79 THR MG . . 2.950 2.356 2.111 2.548 . 0 0 "[ . 1 . 2]" 1
1074 1 79 THR H 1 82 ASP H . . 4.830 3.725 3.505 4.019 . 0 0 "[ . 1 . 2]" 1
1075 1 79 THR H 1 82 ASP HB2 . . 4.050 2.004 1.925 2.294 . 0 0 "[ . 1 . 2]" 1
1076 1 79 THR H 1 82 ASP HB3 . . 4.280 3.341 3.170 3.686 . 0 0 "[ . 1 . 2]" 1
1077 1 79 THR H 1 83 ALA H . . 5.140 4.208 4.065 4.333 . 0 0 "[ . 1 . 2]" 1
1078 1 79 THR HA 1 79 THR MG . . 3.020 2.386 2.254 2.483 . 0 0 "[ . 1 . 2]" 1
1079 1 79 THR HB 1 80 HIS H . . 3.840 2.405 1.959 2.890 . 0 0 "[ . 1 . 2]" 1
1080 1 79 THR HB 1 81 HIS H . . 4.220 2.879 2.542 3.163 . 0 0 "[ . 1 . 2]" 1
1081 1 79 THR HB 1 82 ASP H . . 5.230 3.553 3.174 4.214 . 0 0 "[ . 1 . 2]" 1
1082 1 79 THR HB 1 83 ALA H . . 5.200 4.958 4.789 5.149 . 0 0 "[ . 1 . 2]" 1
1083 1 79 THR MG 1 80 HIS H . . 3.650 3.631 3.560 3.697 0.047 9 0 "[ . 1 . 2]" 1
1084 1 79 THR MG 1 81 HIS H . . 4.500 4.443 4.188 4.550 0.050 1 0 "[ . 1 . 2]" 1
1085 1 79 THR MG 1 82 ASP H . . 4.200 4.194 4.025 4.334 0.134 7 0 "[ . 1 . 2]" 1
1086 1 80 HIS H 1 80 HIS HB2 . . 4.070 2.347 2.219 2.657 . 0 0 "[ . 1 . 2]" 1
1087 1 80 HIS H 1 80 HIS HB3 . . 4.000 2.591 2.339 2.712 . 0 0 "[ . 1 . 2]" 1
1088 1 80 HIS H 1 81 HIS H . . 4.040 2.746 2.443 3.006 . 0 0 "[ . 1 . 2]" 1
1089 1 80 HIS HA 1 80 HIS HD2 . . 5.110 4.473 3.545 4.714 . 0 0 "[ . 1 . 2]" 1
1090 1 80 HIS HA 1 83 ALA H . . 4.140 3.760 3.553 3.882 . 0 0 "[ . 1 . 2]" 1
1091 1 80 HIS HA 1 83 ALA MB . . 3.710 2.652 2.438 2.909 . 0 0 "[ . 1 . 2]" 1
1092 1 80 HIS HB2 1 81 HIS H . . 4.610 3.897 3.729 4.100 . 0 0 "[ . 1 . 2]" 1
1093 1 80 HIS HB3 1 81 HIS H . . 3.850 2.728 2.557 3.092 . 0 0 "[ . 1 . 2]" 1
1094 1 80 HIS HD2 1 81 HIS H . . 5.140 4.512 3.802 4.880 . 0 0 "[ . 1 . 2]" 1
1095 1 80 HIS HD2 1 81 HIS HA . . 4.740 4.304 2.885 4.756 0.016 9 0 "[ . 1 . 2]" 1
1096 1 80 HIS HD2 1 84 LEU QD . . 3.360 2.381 1.978 3.357 . 0 0 "[ . 1 . 2]" 1
1097 1 81 HIS H 1 81 HIS HB2 . . 3.360 2.494 2.150 2.966 . 0 0 "[ . 1 . 2]" 1
1098 1 81 HIS H 1 81 HIS HB3 . . 3.450 2.507 2.099 2.882 . 0 0 "[ . 1 . 2]" 1
1099 1 81 HIS H 1 82 ASP H . . 3.960 2.722 2.536 2.818 . 0 0 "[ . 1 . 2]" 1
1100 1 81 HIS H 1 83 ALA H . . 5.050 3.656 3.446 3.746 . 0 0 "[ . 1 . 2]" 1
1101 1 81 HIS HA 1 81 HIS HD2 . . 4.420 2.920 2.558 3.490 . 0 0 "[ . 1 . 2]" 1
1102 1 81 HIS HA 1 83 ALA H . . 3.760 3.782 3.752 3.825 0.065 8 0 "[ . 1 . 2]" 1
1103 1 81 HIS HA 1 84 LEU H . . 3.910 3.059 2.861 3.223 . 0 0 "[ . 1 . 2]" 1
1104 1 81 HIS HA 1 84 LEU HB2 . . 3.750 2.502 2.174 3.662 . 0 0 "[ . 1 . 2]" 1
1105 1 81 HIS HA 1 84 LEU HB3 . . 4.120 3.835 1.961 4.151 0.031 7 0 "[ . 1 . 2]" 1
1106 1 81 HIS HA 1 84 LEU QD . . 3.250 1.982 1.849 2.549 . 0 0 "[ . 1 . 2]" 1
1107 1 81 HIS HA 1 84 LEU HG . . 5.290 4.054 3.441 4.676 . 0 0 "[ . 1 . 2]" 1
1108 1 81 HIS HB2 1 82 ASP H . . 4.050 3.656 3.317 3.937 . 0 0 "[ . 1 . 2]" 1
1109 1 81 HIS HB3 1 82 ASP H . . 3.860 2.315 2.060 2.604 . 0 0 "[ . 1 . 2]" 1
1110 1 81 HIS HD2 1 82 ASP H . . 4.790 4.181 3.377 4.571 . 0 0 "[ . 1 . 2]" 1
1111 1 81 HIS HD2 1 82 ASP HA . . 4.490 3.845 2.770 4.364 . 0 0 "[ . 1 . 2]" 1
1112 1 81 HIS HD2 1 84 LEU QD . . 4.570 3.834 3.218 4.379 . 0 0 "[ . 1 . 2]" 1
1113 1 81 HIS HD2 1 85 ALA MB . . 4.730 2.623 2.099 3.095 . 0 0 "[ . 1 . 2]" 1
1114 1 82 ASP H 1 82 ASP HB2 . . 3.910 2.448 2.352 2.638 . 0 0 "[ . 1 . 2]" 1
1115 1 82 ASP H 1 82 ASP HB3 . . 3.910 3.558 3.535 3.580 . 0 0 "[ . 1 . 2]" 1
1116 1 82 ASP H 1 83 ALA H . . 3.480 2.834 2.691 2.912 . 0 0 "[ . 1 . 2]" 1
1117 1 82 ASP H 1 83 ALA MB . . 5.080 4.433 4.339 4.532 . 0 0 "[ . 1 . 2]" 1
1118 1 82 ASP HA 1 85 ALA H . . 4.050 3.881 3.789 4.009 . 0 0 "[ . 1 . 2]" 1
1119 1 82 ASP HA 1 85 ALA MB . . 2.960 2.846 2.694 2.967 0.007 18 0 "[ . 1 . 2]" 1
1120 1 82 ASP HA 1 86 ILE H . . 5.270 4.057 3.812 4.301 . 0 0 "[ . 1 . 2]" 1
1121 1 82 ASP HA 1 86 ILE MD . . 4.240 3.588 3.286 4.132 . 0 0 "[ . 1 . 2]" 1
1122 1 82 ASP HB2 1 83 ALA H . . 3.840 2.934 2.821 3.045 . 0 0 "[ . 1 . 2]" 1
1123 1 82 ASP HB3 1 83 ALA H . . 4.300 3.794 3.728 3.982 . 0 0 "[ . 1 . 2]" 1
1124 1 82 ASP HB3 1 83 ALA MB . . 4.510 4.579 4.520 4.733 0.223 7 0 "[ . 1 . 2]" 1
1125 1 82 ASP HB3 1 86 ILE MD . . 4.140 2.956 2.730 3.280 . 0 0 "[ . 1 . 2]" 1
1126 1 83 ALA H 1 83 ALA MB . . 2.920 2.132 1.994 2.274 . 0 0 "[ . 1 . 2]" 1
1127 1 83 ALA H 1 84 LEU H . . 3.630 2.481 2.083 2.611 . 0 0 "[ . 1 . 2]" 1
1128 1 83 ALA H 1 84 LEU HA . . 5.090 5.032 4.726 5.121 0.031 7 0 "[ . 1 . 2]" 1
1129 1 83 ALA H 1 84 LEU HB2 . . 4.770 4.465 4.279 5.129 0.359 19 0 "[ . 1 . 2]" 1
1130 1 83 ALA H 1 85 ALA H . . 4.890 3.926 3.712 4.104 . 0 0 "[ . 1 . 2]" 1
1131 1 83 ALA HA 1 85 ALA H . . 4.950 4.481 4.258 4.764 . 0 0 "[ . 1 . 2]" 1
1132 1 83 ALA HA 1 86 ILE H . . 3.920 3.416 3.273 3.790 . 0 0 "[ . 1 . 2]" 1
1133 1 83 ALA HA 1 86 ILE HB . . 3.680 2.414 2.257 2.769 . 0 0 "[ . 1 . 2]" 1
1134 1 83 ALA HA 1 86 ILE MD . . 3.170 2.838 2.444 3.182 0.012 19 0 "[ . 1 . 2]" 1
1135 1 83 ALA MB 1 84 LEU H . . 3.150 2.428 2.170 2.913 . 0 0 "[ . 1 . 2]" 1
1136 1 84 LEU H 1 84 LEU HB2 . . 3.470 2.451 2.267 2.885 . 0 0 "[ . 1 . 2]" 1
1137 1 84 LEU H 1 84 LEU HB3 . . 3.710 3.387 2.106 3.544 . 0 0 "[ . 1 . 2]" 1
1138 1 84 LEU H 1 84 LEU QD . . 3.380 2.590 1.900 3.493 0.113 19 0 "[ . 1 . 2]" 1
1139 1 84 LEU H 1 84 LEU HG . . 4.750 3.058 2.048 4.633 . 0 0 "[ . 1 . 2]" 1
1140 1 84 LEU H 1 85 ALA H . . 3.600 2.886 2.458 2.987 . 0 0 "[ . 1 . 2]" 1
1141 1 84 LEU HA 1 84 LEU QD . . 2.890 2.331 1.866 2.916 0.026 19 0 "[ . 1 . 2]" 1
1142 1 84 LEU HA 1 84 LEU HG . . 3.390 2.857 2.599 3.633 0.243 3 0 "[ . 1 . 2]" 1
1143 1 84 LEU HA 1 87 LEU H . . 4.030 3.487 3.434 3.560 . 0 0 "[ . 1 . 2]" 1
1144 1 84 LEU HA 1 87 LEU HB2 . . 3.950 3.883 3.718 3.963 0.013 5 0 "[ . 1 . 2]" 1
1145 1 84 LEU HA 1 87 LEU HB3 . . 3.760 2.568 2.466 2.716 . 0 0 "[ . 1 . 2]" 1
1146 1 84 LEU HA 1 87 LEU MD1 . . 3.830 3.448 3.128 3.731 . 0 0 "[ . 1 . 2]" 1
1147 1 84 LEU HA 1 88 ARG H . . 4.500 4.431 4.306 4.534 0.034 3 0 "[ . 1 . 2]" 1
1148 1 84 LEU HB2 1 84 LEU QD . . 2.950 1.967 1.900 2.541 . 0 0 "[ . 1 . 2]" 1
1149 1 84 LEU HB2 1 85 ALA H . . 3.860 2.777 2.544 4.158 0.298 19 0 "[ . 1 . 2]" 1
1150 1 84 LEU HB3 1 85 ALA H . . 4.030 3.431 2.696 3.768 . 0 0 "[ . 1 . 2]" 1
1151 1 84 LEU QD 1 85 ALA H . . 4.090 3.761 2.513 3.956 . 0 0 "[ . 1 . 2]" 1
1152 1 85 ALA H 1 85 ALA MB . . 2.530 2.042 2.001 2.093 . 0 0 "[ . 1 . 2]" 1
1153 1 85 ALA H 1 86 ILE HB . . 4.430 4.502 4.456 4.565 0.135 18 0 "[ . 1 . 2]" 1
1154 1 85 ALA H 1 87 LEU H . . 4.570 4.003 3.871 4.244 . 0 0 "[ . 1 . 2]" 1
1155 1 85 ALA HA 1 88 ARG H . . 3.870 3.015 2.957 3.147 . 0 0 "[ . 1 . 2]" 1
1156 1 85 ALA HA 1 88 ARG QB . . 3.280 2.336 2.228 2.451 . 0 0 "[ . 1 . 2]" 1
1157 1 85 ALA HA 1 88 ARG QD . . 4.580 2.446 1.952 2.937 . 0 0 "[ . 1 . 2]" 1
1158 1 85 ALA HA 1 88 ARG HG3 . . 4.400 3.452 2.914 4.440 0.040 19 0 "[ . 1 . 2]" 1
1159 1 85 ALA MB 1 86 ILE H . . 3.630 2.456 2.400 2.520 . 0 0 "[ . 1 . 2]" 1
1160 1 85 ALA MB 1 86 ILE HA . . 3.950 3.733 3.695 3.777 . 0 0 "[ . 1 . 2]" 1
1161 1 85 ALA MB 1 86 ILE HB . . 4.200 4.096 4.037 4.153 . 0 0 "[ . 1 . 2]" 1
1162 1 85 ALA MB 1 88 ARG H . . 4.110 4.197 4.168 4.230 0.120 4 0 "[ . 1 . 2]" 1
1163 1 85 ALA MB 1 88 ARG QB . . 3.930 3.670 3.545 3.940 0.010 19 0 "[ . 1 . 2]" 1
1164 1 85 ALA MB 1 89 GLN HE21 . . 4.820 3.509 3.059 3.772 . 0 0 "[ . 1 . 2]" 1
1165 1 85 ALA MB 1 89 GLN HE22 . . 5.090 4.954 4.470 5.099 0.009 4 0 "[ . 1 . 2]" 1
1166 1 85 ALA MB 1 89 GLN HG3 . . 3.830 3.554 3.232 3.841 0.011 10 0 "[ . 1 . 2]" 1
1167 1 86 ILE H 1 86 ILE HB . . 3.370 2.040 2.013 2.063 . 0 0 "[ . 1 . 2]" 1
1168 1 86 ILE H 1 86 ILE MD . . 3.290 2.910 2.445 3.115 . 0 0 "[ . 1 . 2]" 1
1169 1 86 ILE H 1 86 ILE HG13 . . 3.630 3.355 3.215 3.664 0.034 8 0 "[ . 1 . 2]" 1
1170 1 86 ILE H 1 86 ILE MG . . 3.470 3.454 3.398 3.497 0.027 20 0 "[ . 1 . 2]" 1
1171 1 86 ILE H 1 87 LEU H . . 3.750 2.848 2.804 2.962 . 0 0 "[ . 1 . 2]" 1
1172 1 86 ILE H 1 88 ARG H . . 4.750 4.087 4.006 4.137 . 0 0 "[ . 1 . 2]" 1
1173 1 86 ILE HA 1 86 ILE MD . . 3.370 3.351 2.923 3.493 0.123 4 0 "[ . 1 . 2]" 1
1174 1 86 ILE HA 1 86 ILE HG12 . . 3.430 3.081 2.971 3.340 . 0 0 "[ . 1 . 2]" 1
1175 1 86 ILE HA 1 86 ILE HG13 . . 3.480 1.981 1.965 2.010 . 0 0 "[ . 1 . 2]" 1
1176 1 86 ILE HA 1 86 ILE MG . . 3.080 2.837 2.796 2.879 . 0 0 "[ . 1 . 2]" 1
1177 1 86 ILE HA 1 89 GLN H . . 3.990 3.344 3.087 3.571 . 0 0 "[ . 1 . 2]" 1
1178 1 86 ILE HA 1 89 GLN HB2 . . 3.510 2.689 2.480 2.950 . 0 0 "[ . 1 . 2]" 1
1179 1 86 ILE HA 1 89 GLN HG2 . . 4.470 4.410 4.265 4.487 0.017 6 0 "[ . 1 . 2]" 1
1180 1 86 ILE HA 1 89 GLN HG3 . . 4.480 2.791 2.615 2.966 . 0 0 "[ . 1 . 2]" 1
1181 1 86 ILE HA 1 90 ALA H . . 5.170 4.526 4.133 4.768 . 0 0 "[ . 1 . 2]" 1
1182 1 86 ILE HB 1 86 ILE MD . . 2.880 2.029 1.914 2.158 . 0 0 "[ . 1 . 2]" 1
1183 1 86 ILE HB 1 87 LEU H . . 3.780 3.152 2.951 3.244 . 0 0 "[ . 1 . 2]" 1
1184 1 86 ILE MG 1 87 LEU H . . 3.360 2.723 2.427 2.916 . 0 0 "[ . 1 . 2]" 1
1185 1 86 ILE MG 1 87 LEU HA . . 3.750 3.038 2.931 3.118 . 0 0 "[ . 1 . 2]" 1
1186 1 86 ILE MG 1 87 LEU HB2 . . 3.930 3.485 3.325 3.591 . 0 0 "[ . 1 . 2]" 1
1187 1 86 ILE MG 1 88 ARG H . . 4.720 4.555 4.355 4.658 . 0 0 "[ . 1 . 2]" 1
1188 1 86 ILE MG 1 89 GLN HB2 . . 3.960 3.983 3.950 4.022 0.062 15 0 "[ . 1 . 2]" 1
1189 1 86 ILE MG 1 90 ALA H . . 4.790 4.181 3.820 4.377 . 0 0 "[ . 1 . 2]" 1
1190 1 87 LEU H 1 87 LEU HB2 . . 3.600 2.836 2.654 2.936 . 0 0 "[ . 1 . 2]" 1
1191 1 87 LEU H 1 87 LEU HB3 . . 3.370 2.137 2.085 2.242 . 0 0 "[ . 1 . 2]" 1
1192 1 87 LEU H 1 87 LEU MD1 . . 4.610 3.528 3.350 3.867 . 0 0 "[ . 1 . 2]" 1
1193 1 87 LEU H 1 87 LEU HG . . 4.450 4.517 4.467 4.550 0.100 15 0 "[ . 1 . 2]" 1
1194 1 87 LEU H 1 88 ARG H . . 3.700 2.533 2.463 2.691 . 0 0 "[ . 1 . 2]" 1
1195 1 87 LEU H 1 90 ALA H . . 4.810 4.741 4.596 4.817 0.007 8 0 "[ . 1 . 2]" 1
1196 1 87 LEU HA 1 87 LEU MD1 . . 3.800 3.478 3.421 3.546 . 0 0 "[ . 1 . 2]" 1
1197 1 87 LEU HA 1 87 LEU MD2 . . 2.860 2.087 1.947 2.368 . 0 0 "[ . 1 . 2]" 1
1198 1 87 LEU HA 1 87 LEU HG . . 4.110 3.850 3.728 3.927 . 0 0 "[ . 1 . 2]" 1
1199 1 87 LEU HA 1 90 ALA H . . 4.310 3.110 2.937 3.177 . 0 0 "[ . 1 . 2]" 1
1200 1 87 LEU HA 1 90 ALA MB . . 3.330 2.629 2.439 2.829 . 0 0 "[ . 1 . 2]" 1
1201 1 87 LEU HB2 1 87 LEU MD1 . . 3.350 3.186 3.164 3.199 . 0 0 "[ . 1 . 2]" 1
1202 1 87 LEU HB2 1 87 LEU MD2 . . 2.990 2.508 2.342 2.576 . 0 0 "[ . 1 . 2]" 1
1203 1 87 LEU HB2 1 88 ARG H . . 4.210 4.245 4.195 4.264 0.054 18 0 "[ . 1 . 2]" 1
1204 1 87 LEU HB2 1 90 ALA H . . 5.340 5.337 5.126 5.418 0.078 15 0 "[ . 1 . 2]" 1
1205 1 87 LEU HB3 1 87 LEU MD1 . . 3.130 2.217 2.131 2.274 . 0 0 "[ . 1 . 2]" 1
1206 1 87 LEU HB3 1 87 LEU MD2 . . 3.380 3.202 3.189 3.213 . 0 0 "[ . 1 . 2]" 1
1207 1 87 LEU HB3 1 88 ARG H . . 3.990 3.035 2.981 3.065 . 0 0 "[ . 1 . 2]" 1
1208 1 87 LEU MD1 1 88 ARG H . . 4.270 2.588 2.339 3.021 . 0 0 "[ . 1 . 2]" 1
1209 1 87 LEU MD1 1 88 ARG QB . . 4.300 3.487 2.883 3.782 . 0 0 "[ . 1 . 2]" 1
1210 1 87 LEU MD2 1 88 ARG H . . 4.180 4.112 3.987 4.187 0.007 6 0 "[ . 1 . 2]" 1
1211 1 87 LEU MD2 1 88 ARG HA . . 3.890 3.739 3.450 3.904 0.014 6 0 "[ . 1 . 2]" 1
1212 1 87 LEU MD2 1 90 ALA H . . 5.150 3.795 3.565 4.049 . 0 0 "[ . 1 . 2]" 1
1213 1 87 LEU MD2 1 90 ALA MB . . 3.550 2.739 2.481 2.987 . 0 0 "[ . 1 . 2]" 1
1214 1 88 ARG H 1 88 ARG QB . . 2.910 2.237 2.069 2.401 . 0 0 "[ . 1 . 2]" 1
1215 1 88 ARG H 1 88 ARG QD . . 3.920 3.765 3.171 3.923 0.003 1 0 "[ . 1 . 2]" 1
1216 1 88 ARG H 1 88 ARG HG2 . . 3.770 3.569 3.045 3.769 . 0 0 "[ . 1 . 2]" 1
1217 1 88 ARG H 1 88 ARG HG3 . . 4.090 2.830 2.194 4.201 0.111 15 0 "[ . 1 . 2]" 1
1218 1 88 ARG HA 1 88 ARG HG2 . . 3.430 2.706 2.368 3.668 0.238 20 0 "[ . 1 . 2]" 1
1219 1 88 ARG HA 1 88 ARG HG3 . . 3.470 2.969 2.638 3.566 0.096 19 0 "[ . 1 . 2]" 1
1220 1 88 ARG HA 1 91 ARG HD2 . . 3.610 2.366 1.989 3.046 . 0 0 "[ . 1 . 2]" 1
1221 1 88 ARG HA 1 91 ARG HD3 . . 3.570 2.276 1.940 3.017 . 0 0 "[ . 1 . 2]" 1
1222 1 88 ARG QB 1 88 ARG QD . . 2.930 2.134 2.003 2.208 . 0 0 "[ . 1 . 2]" 1
1223 1 88 ARG QB 1 89 GLN H . . 3.310 3.246 3.104 3.490 0.180 19 0 "[ . 1 . 2]" 1
1224 1 88 ARG QB 1 89 GLN HG2 . . 4.400 3.865 3.574 4.423 0.023 15 0 "[ . 1 . 2]" 1
1225 1 88 ARG QB 1 90 ALA H . . 5.190 4.907 4.759 5.067 . 0 0 "[ . 1 . 2]" 1
1226 1 89 GLN H 1 89 GLN HB2 . . 3.190 2.374 2.317 2.446 . 0 0 "[ . 1 . 2]" 1
1227 1 89 GLN H 1 89 GLN HG2 . . 3.660 3.229 2.920 3.436 . 0 0 "[ . 1 . 2]" 1
1228 1 89 GLN H 1 89 GLN HG3 . . 3.570 2.926 2.788 3.165 . 0 0 "[ . 1 . 2]" 1
1229 1 89 GLN H 1 90 ALA H . . 3.480 2.222 2.075 2.404 . 0 0 "[ . 1 . 2]" 1
1230 1 89 GLN H 1 90 ALA MB . . 4.070 3.828 3.688 3.970 . 0 0 "[ . 1 . 2]" 1
1231 1 89 GLN H 1 91 ARG H . . 4.850 3.679 3.598 3.800 . 0 0 "[ . 1 . 2]" 1
1232 1 89 GLN H 1 92 GLU H . . 5.080 5.023 4.880 5.126 0.046 17 0 "[ . 1 . 2]" 1
1233 1 89 GLN HA 1 89 GLN HG2 . . 3.400 2.247 2.192 2.288 . 0 0 "[ . 1 . 2]" 1
1234 1 89 GLN HA 1 89 GLN HG3 . . 3.480 3.420 3.296 3.509 0.029 15 0 "[ . 1 . 2]" 1
1235 1 89 GLN HB2 1 90 ALA H . . 3.800 3.015 2.929 3.129 . 0 0 "[ . 1 . 2]" 1
1236 1 89 GLN HB2 1 90 ALA MB . . 4.050 4.069 3.993 4.184 0.134 17 0 "[ . 1 . 2]" 1
1237 1 89 GLN HB3 1 90 ALA H . . 3.880 3.909 3.869 3.998 0.118 10 0 "[ . 1 . 2]" 1
1238 1 89 GLN HG2 1 90 ALA H . . 5.170 4.832 4.743 4.934 . 0 0 "[ . 1 . 2]" 1
1239 1 89 GLN HG3 1 90 ALA H . . 5.020 4.700 4.597 4.865 . 0 0 "[ . 1 . 2]" 1
1240 1 90 ALA H 1 90 ALA MB . . 2.830 2.083 1.971 2.160 . 0 0 "[ . 1 . 2]" 1
1241 1 90 ALA H 1 91 ARG H . . 3.550 2.534 2.440 2.611 . 0 0 "[ . 1 . 2]" 1
1242 1 90 ALA H 1 92 GLU H . . 4.820 4.067 4.009 4.129 . 0 0 "[ . 1 . 2]" 1
1243 1 90 ALA HA 1 93 PRO QD . . 3.600 2.875 2.746 3.028 . 0 0 "[ . 1 . 2]" 1
1244 1 90 ALA HA 1 93 PRO QG . . 3.790 3.033 2.825 3.300 . 0 0 "[ . 1 . 2]" 1
1245 1 91 ARG H 1 91 ARG QB . . 3.260 2.442 2.363 2.501 . 0 0 "[ . 1 . 2]" 1
1246 1 91 ARG H 1 91 ARG HD2 . . 4.250 3.947 3.721 4.246 . 0 0 "[ . 1 . 2]" 1
1247 1 91 ARG H 1 91 ARG HD3 . . 4.170 3.847 2.830 4.259 0.089 8 0 "[ . 1 . 2]" 1
1248 1 91 ARG H 1 91 ARG QG . . 3.590 2.511 2.366 2.798 . 0 0 "[ . 1 . 2]" 1
1249 1 91 ARG H 1 92 GLU HB2 . . 4.610 4.715 4.634 5.211 0.601 7 2 "[ . + 1 . - 2]" 1
1250 1 91 ARG H 1 92 GLU HG2 . . 5.230 4.011 3.038 5.895 0.665 17 2 "[ . - 1 . + 2]" 1
1251 1 91 ARG H 1 93 PRO QD . . 4.950 3.173 3.081 3.228 . 0 0 "[ . 1 . 2]" 1
1252 1 91 ARG HA 1 91 ARG QG . . 3.600 2.905 2.355 3.301 . 0 0 "[ . 1 . 2]" 1
1253 1 91 ARG QB 1 91 ARG HD2 . . 3.060 2.481 2.058 3.344 0.284 10 0 "[ . 1 . 2]" 1
1254 1 91 ARG QB 1 91 ARG HD3 . . 3.000 2.592 2.065 2.999 . 0 0 "[ . 1 . 2]" 1
1255 1 91 ARG QB 1 92 GLU H . . 4.120 3.600 3.266 3.855 . 0 0 "[ . 1 . 2]" 1
1256 1 91 ARG QG 1 92 GLU H . . 4.510 3.436 2.551 4.431 . 0 0 "[ . 1 . 2]" 1
1257 1 92 GLU H 1 92 GLU HB2 . . 3.510 2.658 2.538 3.362 . 0 0 "[ . 1 . 2]" 1
1258 1 92 GLU H 1 92 GLU HB3 . . 3.550 3.410 2.083 3.571 0.021 6 0 "[ . 1 . 2]" 1
1259 1 92 GLU H 1 92 GLU HG2 . . 3.430 2.682 1.937 3.951 0.521 17 1 "[ . 1 . + 2]" 1
1260 1 92 GLU H 1 92 GLU HG3 . . 3.520 2.601 1.929 3.287 . 0 0 "[ . 1 . 2]" 1
1261 1 92 GLU H 1 93 PRO QD . . 3.500 1.920 1.804 2.038 . 0 0 "[ . 1 . 2]" 1
1262 1 92 GLU H 1 93 PRO QG . . 4.000 3.838 3.711 3.963 . 0 0 "[ . 1 . 2]" 1
1263 1 92 GLU HA 1 92 GLU HG2 . . 3.390 2.852 2.530 4.207 0.817 7 2 "[ . + 1 . - 2]" 1
1264 1 92 GLU HB2 1 93 PRO QD . . 3.390 2.053 1.854 3.680 0.290 7 0 "[ . 1 . 2]" 1
1265 1 92 GLU HB3 1 93 PRO QD . . 3.840 3.299 2.493 3.408 . 0 0 "[ . 1 . 2]" 1
1266 1 92 GLU HG2 1 93 PRO QD . . 4.120 3.642 2.927 4.274 0.154 19 0 "[ . 1 . 2]" 1
1267 1 92 GLU HG3 1 93 PRO QD . . 4.470 3.183 1.896 3.508 . 0 0 "[ . 1 . 2]" 1
1268 1 93 PRO HA 1 94 ARG H . . 3.450 2.634 2.497 2.784 . 0 0 "[ . 1 . 2]" 1
1269 1 93 PRO HA 1 95 GLN H . . 4.420 4.119 3.885 4.324 . 0 0 "[ . 1 . 2]" 1
1270 1 93 PRO HB2 1 94 ARG H . . 3.620 2.260 1.944 2.563 . 0 0 "[ . 1 . 2]" 1
1271 1 93 PRO HB2 1 95 GLN H . . 3.570 2.126 2.044 2.252 . 0 0 "[ . 1 . 2]" 1
1272 1 93 PRO HB2 1 95 GLN HB3 . . 4.260 4.082 3.773 4.299 0.039 11 0 "[ . 1 . 2]" 1
1273 1 93 PRO HB3 1 94 ARG H . . 3.740 3.209 3.099 3.328 . 0 0 "[ . 1 . 2]" 1
1274 1 93 PRO QG 1 94 ARG H . . 4.270 4.048 3.779 4.289 0.019 14 0 "[ . 1 . 2]" 1
1275 1 93 PRO QG 1 95 GLN H . . 3.640 3.411 3.129 3.672 0.032 17 0 "[ . 1 . 2]" 1
1276 1 94 ARG H 1 94 ARG HB2 . . 4.010 2.305 2.112 2.678 . 0 0 "[ . 1 . 2]" 1
1277 1 94 ARG H 1 94 ARG HB3 . . 3.400 3.446 3.307 3.627 0.227 2 0 "[ . 1 . 2]" 1
1278 1 94 ARG H 1 94 ARG QD . . 4.580 3.503 2.909 4.213 . 0 0 "[ . 1 . 2]" 1
1279 1 94 ARG H 1 94 ARG QG . . 3.860 3.374 2.236 3.737 . 0 0 "[ . 1 . 2]" 1
1280 1 94 ARG H 1 95 GLN H . . 3.520 2.178 1.941 2.503 . 0 0 "[ . 1 . 2]" 1
1281 1 94 ARG HA 1 94 ARG QD . . 3.740 3.449 3.113 3.561 . 0 0 "[ . 1 . 2]" 1
1282 1 94 ARG HA 1 94 ARG QG . . 3.680 2.113 1.974 2.554 . 0 0 "[ . 1 . 2]" 1
1283 1 94 ARG HB2 1 94 ARG QD . . 3.170 2.410 1.973 3.384 0.214 14 0 "[ . 1 . 2]" 1
1284 1 95 GLN H 1 95 GLN HB2 . . 3.750 3.056 2.934 3.162 . 0 0 "[ . 1 . 2]" 1
1285 1 95 GLN H 1 95 GLN HB3 . . 3.710 2.803 2.702 2.995 . 0 0 "[ . 1 . 2]" 1
1286 1 95 GLN H 1 96 ALA H . . 4.500 4.434 4.355 4.487 . 0 0 "[ . 1 . 2]" 1
1287 1 95 GLN H 1 96 ALA MB . . 5.230 4.783 4.588 4.973 . 0 0 "[ . 1 . 2]" 1
1288 1 95 GLN HA 1 95 GLN QG . . 3.460 2.368 2.249 2.415 . 0 0 "[ . 1 . 2]" 1
1289 1 95 GLN HA 1 96 ALA H . . 3.120 2.346 2.308 2.429 . 0 0 "[ . 1 . 2]" 1
1290 1 95 GLN HA 1 96 ALA MB . . 4.050 3.793 3.730 3.852 . 0 0 "[ . 1 . 2]" 1
1291 1 95 GLN HB3 1 95 GLN HE22 . . 5.230 3.738 3.406 4.342 . 0 0 "[ . 1 . 2]" 1
1292 1 95 GLN HB3 1 95 GLN QG . . 2.740 2.486 2.327 2.571 . 0 0 "[ . 1 . 2]" 1
1293 1 95 GLN HB3 1 96 ALA H . . 3.870 3.831 3.609 3.919 0.049 17 0 "[ . 1 . 2]" 1
1294 1 95 GLN HE21 1 96 ALA H . . 4.880 4.186 3.703 4.916 0.036 17 0 "[ . 1 . 2]" 1
1295 1 95 GLN HE21 1 97 VAL MG2 . . 4.260 2.659 1.951 3.780 . 0 0 "[ . 1 . 2]" 1
1296 1 95 GLN QG 1 96 ALA H . . 3.500 2.004 1.896 2.185 . 0 0 "[ . 1 . 2]" 1
1297 1 95 GLN QG 1 96 ALA HA . . 4.490 3.863 3.661 4.069 . 0 0 "[ . 1 . 2]" 1
1298 1 95 GLN QG 1 96 ALA MB . . 3.920 3.955 3.917 3.998 0.078 4 0 "[ . 1 . 2]" 1
1299 1 95 GLN QG 1 97 VAL MG2 . . 3.510 3.414 3.218 3.530 0.020 14 0 "[ . 1 . 2]" 1
1300 1 96 ALA H 1 96 ALA MB . . 3.240 2.466 2.328 2.595 . 0 0 "[ . 1 . 2]" 1
1301 1 96 ALA H 1 97 VAL H . . 4.710 4.363 4.192 4.466 . 0 0 "[ . 1 . 2]" 1
1302 1 96 ALA H 1 97 VAL MG2 . . 4.580 4.300 4.147 4.463 . 0 0 "[ . 1 . 2]" 1
1303 1 96 ALA H 1 98 ILE MD . . 4.310 4.271 4.063 4.318 0.008 1 0 "[ . 1 . 2]" 1
1304 1 96 ALA HA 1 97 VAL H . . 3.150 2.254 2.196 2.344 . 0 0 "[ . 1 . 2]" 1
1305 1 96 ALA HA 1 97 VAL HB . . 4.540 4.162 4.131 4.211 . 0 0 "[ . 1 . 2]" 1
1306 1 96 ALA HA 1 97 VAL MG2 . . 4.130 4.074 3.938 4.154 0.024 16 0 "[ . 1 . 2]" 1
1307 1 96 ALA HA 1 98 ILE MD . . 4.350 3.999 3.722 4.232 . 0 0 "[ . 1 . 2]" 1
1308 1 96 ALA MB 1 97 VAL H . . 3.330 3.042 2.855 3.216 . 0 0 "[ . 1 . 2]" 1
1309 1 96 ALA MB 1 98 ILE MD . . 2.570 2.132 1.902 2.463 . 0 0 "[ . 1 . 2]" 1
1310 1 97 VAL H 1 97 VAL HB . . 3.610 2.339 2.204 2.412 . 0 0 "[ . 1 . 2]" 1
1311 1 97 VAL H 1 97 VAL MG1 . . 3.690 3.520 3.488 3.578 . 0 0 "[ . 1 . 2]" 1
1312 1 97 VAL H 1 97 VAL MG2 . . 3.260 3.225 3.063 3.297 0.037 20 0 "[ . 1 . 2]" 1
1313 1 97 VAL H 1 98 ILE MD . . 4.020 3.421 3.090 4.005 . 0 0 "[ . 1 . 2]" 1
1314 1 97 VAL MG1 1 98 ILE H . . 3.410 2.974 2.670 3.190 . 0 0 "[ . 1 . 2]" 1
1315 1 97 VAL MG2 1 98 ILE H . . 3.750 3.783 3.754 3.823 0.073 16 0 "[ . 1 . 2]" 1
1316 1 98 ILE H 1 98 ILE HB . . 3.810 2.708 2.599 2.807 . 0 0 "[ . 1 . 2]" 1
1317 1 98 ILE H 1 98 ILE MD . . 3.460 2.543 2.386 2.699 . 0 0 "[ . 1 . 2]" 1
1318 1 98 ILE H 1 98 ILE HG12 . . 4.400 4.343 4.153 4.438 0.038 9 0 "[ . 1 . 2]" 1
1319 1 98 ILE H 1 98 ILE HG13 . . 4.430 3.319 3.000 3.497 . 0 0 "[ . 1 . 2]" 1
1320 1 98 ILE HB 1 98 ILE MD . . 3.150 1.972 1.945 2.007 . 0 0 "[ . 1 . 2]" 1
1321 1 98 ILE HB 1 99 VAL H . . 4.950 4.263 4.085 4.373 . 0 0 "[ . 1 . 2]" 1
1322 1 98 ILE HB 1 100 THR MG . . 3.790 3.578 3.333 3.794 0.004 11 0 "[ . 1 . 2]" 1
1323 1 98 ILE MG 1 100 THR MG . . 2.820 1.973 1.869 2.141 . 0 0 "[ . 1 . 2]" 1
1324 1 99 VAL H 1 99 VAL HB . . 3.800 2.607 2.515 2.703 . 0 0 "[ . 1 . 2]" 1
1325 1 99 VAL H 1 99 VAL MG1 . . 3.970 3.803 3.767 3.844 . 0 0 "[ . 1 . 2]" 1
1326 1 99 VAL H 1 99 VAL MG2 . . 3.320 2.357 2.079 2.677 . 0 0 "[ . 1 . 2]" 1
1327 1 99 VAL H 1 100 THR MG . . 4.170 3.503 3.279 3.751 . 0 0 "[ . 1 . 2]" 1
1328 1 99 VAL HA 1 99 VAL MG1 . . 3.300 2.284 2.146 2.401 . 0 0 "[ . 1 . 2]" 1
1329 1 99 VAL HA 1 99 VAL MG2 . . 3.220 2.454 2.372 2.568 . 0 0 "[ . 1 . 2]" 1
1330 1 99 VAL HA 1 100 THR H . . 3.490 2.184 2.182 2.192 . 0 0 "[ . 1 . 2]" 1
1331 1 99 VAL HA 1 100 THR MG . . 4.530 3.595 3.316 3.849 . 0 0 "[ . 1 . 2]" 1
1332 1 99 VAL HB 1 100 THR H . . 5.280 4.300 4.131 4.373 . 0 0 "[ . 1 . 2]" 1
1333 1 99 VAL HB 1 100 THR MG . . 4.480 4.483 4.368 4.538 0.058 15 0 "[ . 1 . 2]" 1
1334 1 99 VAL MG1 1 100 THR H . . 3.360 2.930 2.755 3.089 . 0 0 "[ . 1 . 2]" 1
1335 1 99 VAL MG1 1 100 THR HA . . 4.220 3.898 3.696 4.162 . 0 0 "[ . 1 . 2]" 1
1336 1 100 THR H 1 100 THR MG . . 4.410 2.864 2.607 3.182 . 0 0 "[ . 1 . 2]" 1
1337 1 100 THR HA 1 100 THR MG . . 3.170 2.471 2.341 2.627 . 0 0 "[ . 1 . 2]" 1
1338 1 100 THR HA 1 101 ARG H . . 3.400 2.378 2.240 2.583 . 0 0 "[ . 1 . 2]" 1
1339 1 100 THR HB 1 101 ARG H . . 3.490 2.747 2.299 3.102 . 0 0 "[ . 1 . 2]" 1
1340 1 100 THR MG 1 101 ARG H . . 4.010 3.926 3.758 4.083 0.073 16 0 "[ . 1 . 2]" 1
1341 1 101 ARG H 1 101 ARG HG2 . . 4.310 3.021 1.948 4.375 0.065 10 0 "[ . 1 . 2]" 1
1342 1 101 ARG H 1 101 ARG HG3 . . 4.380 3.537 3.066 3.857 . 0 0 "[ . 1 . 2]" 1
1343 1 101 ARG H 1 103 LEU MD2 . . 5.030 3.963 3.131 4.562 . 0 0 "[ . 1 . 2]" 1
1344 1 101 ARG HA 1 101 ARG HD2 . . 4.950 4.422 4.118 4.726 . 0 0 "[ . 1 . 2]" 1
1345 1 101 ARG HA 1 101 ARG HD3 . . 4.880 4.411 3.940 4.931 0.051 18 0 "[ . 1 . 2]" 1
1346 1 101 ARG HA 1 101 ARG HG2 . . 4.060 3.427 3.145 3.569 . 0 0 "[ . 1 . 2]" 1
1347 1 101 ARG HA 1 101 ARG HG3 . . 4.120 3.383 2.236 4.152 0.032 18 0 "[ . 1 . 2]" 1
1348 1 101 ARG HA 1 102 LYS H . . 3.360 2.435 2.344 2.491 . 0 0 "[ . 1 . 2]" 1
1349 1 101 ARG HB2 1 101 ARG HD2 . . 3.680 3.261 2.974 3.556 . 0 0 "[ . 1 . 2]" 1
1350 1 101 ARG HB2 1 101 ARG HD3 . . 4.250 3.190 2.007 4.160 . 0 0 "[ . 1 . 2]" 1
1351 1 101 ARG HB2 1 101 ARG HE . . 4.930 4.197 2.497 5.204 0.274 14 0 "[ . 1 . 2]" 1
1352 1 101 ARG HB3 1 101 ARG HD3 . . 4.170 3.087 2.532 3.660 . 0 0 "[ . 1 . 2]" 1
1353 1 101 ARG HB3 1 102 LYS H . . 4.040 3.424 2.509 4.110 0.070 14 0 "[ . 1 . 2]" 1
1354 1 101 ARG HD3 1 103 LEU MD2 . . 3.860 3.622 3.045 3.878 0.018 8 0 "[ . 1 . 2]" 1
1355 1 101 ARG HE 1 103 LEU MD2 . . 4.250 3.408 2.417 4.231 . 0 0 "[ . 1 . 2]" 1
1356 1 101 ARG HG2 1 102 LYS H . . 4.200 4.214 3.964 4.433 0.233 16 0 "[ . 1 . 2]" 1
1357 1 101 ARG HG3 1 102 LYS H . . 4.360 4.199 3.846 4.379 0.019 18 0 "[ . 1 . 2]" 1
1358 1 102 LYS H 1 102 LYS HB2 . . 3.540 2.293 2.069 3.514 . 0 0 "[ . 1 . 2]" 1
1359 1 102 LYS H 1 102 LYS HB3 . . 3.530 3.147 2.226 3.464 . 0 0 "[ . 1 . 2]" 1
1360 1 102 LYS H 1 102 LYS QE . . 4.820 4.524 1.796 4.835 0.015 17 0 "[ . 1 . 2]" 1
1361 1 102 LYS H 1 102 LYS QG . . 3.980 3.258 2.588 3.849 . 0 0 "[ . 1 . 2]" 1
1362 1 102 LYS H 1 103 LEU MD2 . . 5.380 4.484 3.543 5.161 . 0 0 "[ . 1 . 2]" 1
1363 1 102 LYS HA 1 102 LYS QE . . 4.480 2.705 2.211 3.345 . 0 0 "[ . 1 . 2]" 1
1364 1 102 LYS HA 1 102 LYS QG . . 3.700 2.333 1.980 3.424 . 0 0 "[ . 1 . 2]" 1
1365 1 102 LYS HA 1 103 LEU H . . 3.040 2.256 2.176 3.457 0.417 12 0 "[ . 1 . 2]" 1
1366 1 102 LYS HB2 1 102 LYS QE . . 4.450 3.652 1.792 4.310 . 0 0 "[ . 1 . 2]" 1
1367 1 102 LYS HB3 1 103 LEU H . . 4.010 3.921 3.420 4.435 0.425 19 0 "[ . 1 . 2]" 1
1368 1 102 LYS QD 1 103 LEU H . . 4.250 3.912 1.930 4.166 . 0 0 "[ . 1 . 2]" 1
1369 1 102 LYS QE 1 102 LYS QG . . 3.260 2.180 1.972 2.486 . 0 0 "[ . 1 . 2]" 1
1370 1 102 LYS QE 1 103 LEU H . . 4.780 3.680 1.913 4.884 0.104 12 0 "[ . 1 . 2]" 1
1371 1 102 LYS QG 1 103 LEU H . . 4.250 3.749 2.270 4.126 . 0 0 "[ . 1 . 2]" 1
1372 1 103 LEU H 1 103 LEU HB2 . . 3.550 2.722 2.304 3.604 0.054 12 0 "[ . 1 . 2]" 1
1373 1 103 LEU H 1 103 LEU HB3 . . 3.720 3.710 3.518 3.891 0.171 12 0 "[ . 1 . 2]" 1
1374 1 103 LEU H 1 103 LEU MD1 . . 3.860 3.693 3.390 3.900 0.040 16 0 "[ . 1 . 2]" 1
1375 1 103 LEU H 1 103 LEU MD2 . . 3.840 3.508 1.857 3.858 0.018 18 0 "[ . 1 . 2]" 1
1376 1 103 LEU H 1 103 LEU HG . . 3.720 2.584 1.976 3.614 . 0 0 "[ . 1 . 2]" 1
1377 1 103 LEU HA 1 103 LEU MD2 . . 2.860 2.326 1.977 2.908 0.048 19 0 "[ . 1 . 2]" 1
1378 1 103 LEU HA 1 103 LEU HG . . 3.930 3.160 2.900 3.754 . 0 0 "[ . 1 . 2]" 1
1379 1 103 LEU HA 1 104 THR H . . 3.540 2.626 2.201 3.607 0.067 8 0 "[ . 1 . 2]" 1
1380 1 103 LEU HB2 1 103 LEU MD1 . . 3.220 2.287 2.085 3.192 . 0 0 "[ . 1 . 2]" 1
1381 1 103 LEU HB2 1 104 THR H . . 4.330 3.286 1.921 4.113 . 0 0 "[ . 1 . 2]" 1
1382 1 103 LEU HB3 1 104 THR H . . 4.180 2.646 2.001 3.525 . 0 0 "[ . 1 . 2]" 1
1383 1 103 LEU MD2 1 104 THR H . . 4.020 3.803 3.222 4.047 0.027 19 0 "[ . 1 . 2]" 1
1384 1 104 THR H 1 104 THR MG . . 3.740 2.287 1.894 2.937 . 0 0 "[ . 1 . 2]" 1
1385 1 104 THR HA 1 104 THR MG . . 3.040 2.430 2.251 3.052 0.012 20 0 "[ . 1 . 2]" 1
1386 1 104 THR HA 1 105 PRO HD2 . . 2.790 2.765 2.677 2.896 0.106 20 0 "[ . 1 . 2]" 1
1387 1 104 THR HA 1 105 PRO HD3 . . 2.780 2.012 1.962 2.099 . 0 0 "[ . 1 . 2]" 1
1388 1 104 THR HA 1 105 PRO HG3 . . 4.300 4.268 4.225 4.340 0.040 20 0 "[ . 1 . 2]" 1
1389 1 104 THR HB 1 105 PRO HD3 . . 3.310 3.187 2.806 4.215 0.905 20 1 "[ . 1 . +]" 1
1390 1 104 THR MG 1 105 PRO HD2 . . 3.890 3.245 1.930 3.714 . 0 0 "[ . 1 . 2]" 1
1391 1 104 THR MG 1 105 PRO HD3 . . 3.460 3.508 3.141 3.906 0.446 10 0 "[ . 1 . 2]" 1
1392 1 105 PRO HB2 1 106 GLU H . . 3.840 2.627 2.055 3.333 . 0 0 "[ . 1 . 2]" 1
1393 1 105 PRO HB3 1 106 GLU H . . 3.370 3.464 3.131 3.833 0.463 1 0 "[ . 1 . 2]" 1
1394 1 106 GLU H 1 106 GLU HG2 . . 3.750 3.080 1.972 4.547 0.797 15 3 "[ -. 1 * + 2]" 1
1395 1 107 ALA H 1 107 ALA MB . . 2.850 2.501 2.056 2.862 0.012 9 0 "[ . 1 . 2]" 1
1396 1 108 MET H 1 108 MET HB3 . . 3.880 3.245 2.260 3.757 . 0 0 "[ . 1 . 2]" 1
1397 1 108 MET HB2 1 108 MET HG3 . . 2.700 2.518 2.316 3.038 0.338 20 0 "[ . 1 . 2]" 1
1398 1 108 MET HB3 1 108 MET HG2 . . 2.680 2.581 2.336 3.052 0.372 16 0 "[ . 1 . 2]" 1
1399 1 110 ASP H 1 110 ASP HB2 . . 3.750 2.994 2.122 3.777 0.027 18 0 "[ . 1 . 2]" 1
1400 1 110 ASP H 1 110 ASP HB3 . . 3.770 3.144 2.476 3.729 . 0 0 "[ . 1 . 2]" 1
1401 1 110 ASP HA 1 111 LEU HG . . 4.570 3.886 3.429 4.278 . 0 0 "[ . 1 . 2]" 1
1402 1 111 LEU H 1 111 LEU HB2 . . 3.110 2.755 2.270 2.955 . 0 0 "[ . 1 . 2]" 1
1403 1 111 LEU H 1 111 LEU QD . . 3.630 2.242 1.883 3.262 . 0 0 "[ . 1 . 2]" 1
1404 1 111 LEU H 1 111 LEU HG . . 3.020 2.236 2.035 2.622 . 0 0 "[ . 1 . 2]" 1
1405 1 111 LEU HA 1 111 LEU HB3 . . 2.890 2.328 2.235 2.573 . 0 0 "[ . 1 . 2]" 1
1406 1 111 LEU HA 1 111 LEU HG . . 2.940 2.853 2.611 2.953 0.013 14 0 "[ . 1 . 2]" 1
1407 1 111 LEU HB3 1 111 LEU QD . . 2.650 2.054 1.943 2.151 . 0 0 "[ . 1 . 2]" 1
1408 1 111 LEU QD 1 112 ASN HB2 . . 4.470 4.287 4.166 4.371 . 0 0 "[ . 1 . 2]" 1
1409 1 112 ASN H 1 112 ASN HB2 . . 3.950 2.792 2.112 3.251 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 4:52:28 PM GMT (wattos1)