NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394614 |
1rdu   |
5560 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rdu
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 2322
_Distance_constraint_stats_list.Viol_count 5435
_Distance_constraint_stats_list.Viol_total 8438.543
_Distance_constraint_stats_list.Viol_max 0.972
_Distance_constraint_stats_list.Viol_rms 0.0342
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0776
_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 2 ALA 4.401 0.137 20 0 "[ . 1 . 2]"
1 3 ARG 4.578 0.837 8 1 "[ . + 1 . 2]"
1 4 VAL 20.092 0.818 8 5 "[ ** + * . - 2]"
1 5 ALA 7.021 0.121 8 0 "[ . 1 . 2]"
1 6 ILE 4.403 0.121 3 0 "[ . 1 . 2]"
1 7 PRO 10.005 0.132 19 0 "[ . 1 . 2]"
1 8 SER 5.702 0.121 3 0 "[ . 1 . 2]"
1 9 VAL 2.571 0.088 8 0 "[ . 1 . 2]"
1 10 GLY 0.082 0.082 4 0 "[ . 1 . 2]"
1 11 LYS 15.042 0.606 12 3 "[ .- 1*+ . 2]"
1 12 ASP 5.586 0.122 2 0 "[ . 1 . 2]"
1 13 LEU 13.871 0.304 16 0 "[ . 1 . 2]"
1 14 SER 1.471 0.102 7 0 "[ . 1 . 2]"
1 15 SER 0.100 0.071 7 0 "[ . 1 . 2]"
1 16 MET 5.664 0.121 7 0 "[ . 1 . 2]"
1 17 VAL 9.350 0.123 2 0 "[ . 1 . 2]"
1 18 SER 5.456 0.089 1 0 "[ . 1 . 2]"
1 19 ASP 3.470 0.831 5 1 "[ + 1 . 2]"
1 20 ARG 5.923 0.503 10 1 "[ . + . 2]"
1 21 PHE 12.778 0.846 12 1 "[ . 1 + . 2]"
1 22 ALA 2.214 0.110 16 0 "[ . 1 . 2]"
1 23 ARG 1.653 0.100 18 0 "[ . 1 . 2]"
1 24 ALA 9.918 0.132 19 0 "[ . 1 . 2]"
1 25 GLU 6.508 0.972 18 4 "[ * .* 1 . +-2]"
1 26 TYR 14.110 0.403 8 0 "[ . 1 . 2]"
1 27 PHE 5.463 0.108 6 0 "[ . 1 . 2]"
1 28 ILE 11.088 0.403 8 0 "[ . 1 . 2]"
1 29 ILE 9.465 0.368 4 0 "[ . 1 . 2]"
1 30 TYR 15.186 0.123 4 0 "[ . 1 . 2]"
1 31 ASP 2.495 0.106 11 0 "[ . 1 . 2]"
1 32 THR 5.680 0.156 17 0 "[ . 1 . 2]"
1 33 GLU 6.196 0.192 18 0 "[ . 1 . 2]"
1 34 SER 3.071 0.192 18 0 "[ . 1 . 2]"
1 35 GLY 2.105 0.110 18 0 "[ . 1 . 2]"
1 36 ASN 0.921 0.075 3 0 "[ . 1 . 2]"
1 37 VAL 10.624 0.134 4 0 "[ . 1 . 2]"
1 38 GLU 7.674 0.368 4 0 "[ . 1 . 2]"
1 39 VAL 11.141 0.606 12 3 "[ .- 1*+ . 2]"
1 40 VAL 6.711 0.175 1 0 "[ . 1 . 2]"
1 41 GLU 4.471 0.127 4 0 "[ . 1 . 2]"
1 42 ASN 4.619 0.136 8 0 "[ . 1 . 2]"
1 43 THR 3.609 0.142 1 0 "[ . 1 . 2]"
1 44 ILE 17.590 0.972 18 6 "[ * .*** 1 . +-2]"
1 45 ALA 1.453 0.293 3 0 "[ . 1 . 2]"
1 46 ASP 0.578 0.110 4 0 "[ . 1 . 2]"
1 47 ALA 0.087 0.082 8 0 "[ . 1 . 2]"
1 52 PRO 9.912 0.124 11 0 "[ . 1 . 2]"
1 53 LYS 7.413 0.937 3 3 "[ + . -* 1 . 2]"
1 54 VAL 6.725 0.206 12 0 "[ . 1 . 2]"
1 55 VAL 11.146 0.124 11 0 "[ . 1 . 2]"
1 56 GLN 7.216 0.123 16 0 "[ . 1 . 2]"
1 57 SER 3.997 0.474 13 0 "[ . 1 . 2]"
1 58 LEU 4.576 0.474 13 0 "[ . 1 . 2]"
1 59 VAL 10.450 0.107 4 0 "[ . 1 . 2]"
1 60 SER 3.534 0.127 1 0 "[ . 1 . 2]"
1 61 LYS 4.926 0.565 1 2 "[+ . 1 - . 2]"
1 62 GLY 2.677 0.095 7 0 "[ . 1 . 2]"
1 63 VAL 4.654 0.123 15 0 "[ . 1 . 2]"
1 64 GLU 6.369 0.837 8 1 "[ . + 1 . 2]"
1 65 TYR 25.084 0.818 8 5 "[ ** + * . - 2]"
1 66 LEU 18.633 0.754 8 5 "[ ** + * . - 2]"
1 67 ILE 16.606 0.156 13 0 "[ . 1 . 2]"
1 68 ALA 6.030 0.404 10 0 "[ . 1 . 2]"
1 69 SER 7.675 0.831 5 2 "[ + 1 - . 2]"
1 70 ASN 9.114 0.647 10 1 "[ . + . 2]"
1 71 VAL 19.241 0.886 6 5 "[ .+ -1** *. 2]"
1 72 GLY 2.051 0.647 10 1 "[ . + . 2]"
1 73 ARG 4.135 0.394 18 0 "[ . 1 . 2]"
1 75 ALA 3.937 0.110 10 0 "[ . 1 . 2]"
1 76 PHE 11.771 0.145 12 0 "[ . 1 . 2]"
1 77 GLU 3.190 0.084 15 0 "[ . 1 . 2]"
1 78 THR 6.671 0.106 2 0 "[ . 1 . 2]"
1 79 LEU 12.268 0.122 6 0 "[ . 1 . 2]"
1 80 LYS 11.519 0.118 12 0 "[ . 1 . 2]"
1 81 ALA 2.679 0.085 1 0 "[ . 1 . 2]"
1 82 ALA 6.183 0.108 15 0 "[ . 1 . 2]"
1 83 GLY 2.591 0.118 7 0 "[ . 1 . 2]"
1 84 VAL 9.767 0.150 13 0 "[ . 1 . 2]"
1 85 LYS 5.754 0.599 2 1 "[ + . 1 . 2]"
1 86 VAL 13.569 0.157 3 0 "[ . 1 . 2]"
1 87 TYR 13.965 0.139 3 0 "[ . 1 . 2]"
1 88 ARG 8.543 0.755 12 1 "[ . 1 + . 2]"
1 89 PHE 15.051 0.854 9 2 "[ . +1 - . 2]"
1 90 GLU 4.027 0.533 12 1 "[ . 1 + . 2]"
1 91 GLY 1.351 0.095 8 0 "[ . 1 . 2]"
1 92 GLY 7.105 0.101 15 0 "[ . 1 . 2]"
1 93 THR 7.428 0.121 7 0 "[ . 1 . 2]"
1 94 VAL 10.569 0.304 16 0 "[ . 1 . 2]"
1 95 GLN 6.185 0.103 5 0 "[ . 1 . 2]"
1 96 GLU 14.980 0.854 9 1 "[ . +1 . 2]"
1 97 ALA 7.916 0.123 2 0 "[ . 1 . 2]"
1 98 ILE 19.720 0.156 13 0 "[ . 1 . 2]"
1 99 ASP 6.802 0.408 7 0 "[ . 1 . 2]"
1 100 ALA 8.751 0.408 7 0 "[ . 1 . 2]"
1 101 PHE 10.658 0.128 20 0 "[ . 1 . 2]"
1 102 SER 3.604 0.096 12 0 "[ . 1 . 2]"
1 103 GLU 2.710 0.090 11 0 "[ . 1 . 2]"
1 104 GLY 2.965 0.090 11 0 "[ . 1 . 2]"
1 105 ARG 3.511 0.102 18 0 "[ . 1 . 2]"
1 106 LEU 16.401 0.127 18 0 "[ . 1 . 2]"
1 107 GLU 5.064 0.110 20 0 "[ . 1 . 2]"
1 108 GLU 8.135 0.599 2 1 "[ + . 1 . 2]"
1 109 LEU 16.646 0.608 19 1 "[ . 1 . +2]"
1 110 THR 3.269 0.154 18 0 "[ . 1 . 2]"
1 111 THR 4.429 0.096 10 0 "[ . 1 . 2]"
1 112 PHE 12.373 0.886 6 7 "[ .+ *1* *. -**]"
1 113 THR 5.813 0.786 20 2 "[ . 1 . - +]"
1 114 ARG 2.392 0.101 10 0 "[ . 1 . 2]"
1 115 GLU 1.324 0.089 16 0 "[ . 1 . 2]"
1 116 GLY 0.700 0.090 14 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 2 ALA HA 1 3 ARG H . . 3.010 2.358 2.089 2.691 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 32 THR H . . 4.680 4.762 4.744 4.776 0.096 6 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 3 ARG H . . 3.730 2.635 2.006 3.524 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 3 ARG HA . . 5.380 4.014 3.641 4.497 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA MB 1 4 VAL MG2 . . 4.470 4.496 4.083 4.607 0.137 20 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 32 THR H . . 5.500 4.403 3.599 5.437 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 65 TYR HB2 . . 5.500 3.307 2.389 3.694 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 65 TYR HB3 . . 4.540 4.333 3.285 4.662 0.122 7 0 "[ . 1 . 2]" 1
9 1 2 ALA MB 1 65 TYR QD . . 3.610 2.123 1.929 2.966 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 65 TYR QE . . 3.470 2.413 2.039 3.245 . 0 0 "[ . 1 . 2]" 1
11 1 3 ARG H 1 3 ARG HB2 . . 3.500 2.383 2.117 2.599 . 0 0 "[ . 1 . 2]" 1
12 1 3 ARG H 1 3 ARG HB3 . . 3.940 3.571 3.435 3.670 . 0 0 "[ . 1 . 2]" 1
13 1 3 ARG H 1 3 ARG QD . . 4.940 3.911 2.979 4.474 . 0 0 "[ . 1 . 2]" 1
14 1 3 ARG H 1 3 ARG QG . . 4.300 3.182 2.526 3.701 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG H 1 63 VAL HA . . 4.730 3.531 3.032 4.002 . 0 0 "[ . 1 . 2]" 1
16 1 3 ARG H 1 64 GLU H . . 4.600 2.803 2.363 3.317 . 0 0 "[ . 1 . 2]" 1
17 1 3 ARG H 1 64 GLU HB2 . . 4.680 3.318 2.372 4.449 . 0 0 "[ . 1 . 2]" 1
18 1 3 ARG H 1 64 GLU HG2 . . 5.280 5.143 3.965 6.117 0.837 8 1 "[ . + 1 . 2]" 1
19 1 3 ARG H 1 65 TYR H . . 5.500 5.250 4.653 5.572 0.072 16 0 "[ . 1 . 2]" 1
20 1 3 ARG H 1 65 TYR QD . . 5.500 4.260 3.590 5.512 0.012 2 0 "[ . 1 . 2]" 1
21 1 3 ARG HA 1 3 ARG QG . . 3.530 2.129 2.017 2.361 . 0 0 "[ . 1 . 2]" 1
22 1 3 ARG HA 1 4 VAL H . . 2.740 2.120 2.023 2.249 . 0 0 "[ . 1 . 2]" 1
23 1 3 ARG HA 1 4 VAL HA . . 5.170 4.414 4.339 4.525 . 0 0 "[ . 1 . 2]" 1
24 1 3 ARG HA 1 4 VAL HB . . 5.060 4.093 3.756 4.467 . 0 0 "[ . 1 . 2]" 1
25 1 3 ARG HA 1 4 VAL MG1 . . 4.270 4.095 3.637 4.358 0.088 15 0 "[ . 1 . 2]" 1
26 1 3 ARG HA 1 29 ILE MG . . 3.880 3.719 3.318 3.973 0.093 19 0 "[ . 1 . 2]" 1
27 1 3 ARG HA 1 30 TYR H . . 4.590 4.558 4.216 4.670 0.080 10 0 "[ . 1 . 2]" 1
28 1 3 ARG HA 1 32 THR H . . 4.460 3.230 2.907 3.668 . 0 0 "[ . 1 . 2]" 1
29 1 3 ARG HA 1 63 VAL MG2 . . 5.500 4.507 4.286 5.016 . 0 0 "[ . 1 . 2]" 1
30 1 3 ARG HA 1 65 TYR HB2 . . 5.500 4.947 4.565 5.221 . 0 0 "[ . 1 . 2]" 1
31 1 3 ARG HB2 1 4 VAL H . . 5.500 4.336 3.980 4.544 . 0 0 "[ . 1 . 2]" 1
32 1 3 ARG HB2 1 62 GLY HA2 . . 5.500 4.994 4.591 5.464 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG HB2 1 62 GLY HA3 . . 4.810 4.045 3.461 4.695 . 0 0 "[ . 1 . 2]" 1
34 1 3 ARG HB2 1 63 VAL H . . 5.500 4.061 3.463 4.485 . 0 0 "[ . 1 . 2]" 1
35 1 3 ARG HB2 1 63 VAL HA . . 3.290 2.257 2.024 2.552 . 0 0 "[ . 1 . 2]" 1
36 1 3 ARG HB2 1 63 VAL MG2 . . 4.720 3.204 2.554 3.448 . 0 0 "[ . 1 . 2]" 1
37 1 3 ARG HB2 1 64 GLU H . . 3.830 3.191 2.653 3.607 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG HB3 1 4 VAL H . . 4.620 3.298 2.687 3.739 . 0 0 "[ . 1 . 2]" 1
39 1 3 ARG HB3 1 29 ILE MG . . 4.050 2.286 2.000 2.599 . 0 0 "[ . 1 . 2]" 1
40 1 3 ARG HB3 1 63 VAL HA . . 3.340 2.606 2.456 2.828 . 0 0 "[ . 1 . 2]" 1
41 1 3 ARG HB3 1 64 GLU H . . 4.670 4.097 3.808 4.640 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG HB3 1 65 TYR HB2 . . 5.500 5.473 5.067 5.593 0.093 4 0 "[ . 1 . 2]" 1
43 1 3 ARG QD 1 29 ILE MG . . 4.120 3.250 2.125 3.795 . 0 0 "[ . 1 . 2]" 1
44 1 3 ARG QD 1 31 ASP H . . 5.500 5.289 4.791 5.377 . 0 0 "[ . 1 . 2]" 1
45 1 3 ARG QD 1 31 ASP HA . . 5.370 3.538 3.146 3.976 . 0 0 "[ . 1 . 2]" 1
46 1 3 ARG QD 1 31 ASP QB . . 5.460 3.938 3.171 4.628 . 0 0 "[ . 1 . 2]" 1
47 1 3 ARG QD 1 62 GLY HA2 . . 5.500 4.793 4.100 5.302 . 0 0 "[ . 1 . 2]" 1
48 1 3 ARG QD 1 62 GLY HA3 . . 5.050 3.353 2.630 4.013 . 0 0 "[ . 1 . 2]" 1
49 1 3 ARG QD 1 63 VAL HA . . 4.880 4.099 3.430 4.622 . 0 0 "[ . 1 . 2]" 1
50 1 3 ARG QD 1 63 VAL MG2 . . 5.340 3.877 3.196 4.547 . 0 0 "[ . 1 . 2]" 1
51 1 3 ARG QG 1 31 ASP HA . . 3.930 2.090 1.948 2.414 . 0 0 "[ . 1 . 2]" 1
52 1 3 ARG QG 1 31 ASP QB . . 4.630 3.383 2.693 3.900 . 0 0 "[ . 1 . 2]" 1
53 1 3 ARG QG 1 32 THR H . . 5.470 3.445 3.035 3.998 . 0 0 "[ . 1 . 2]" 1
54 1 3 ARG QG 1 63 VAL HA . . 4.730 4.248 3.992 4.327 . 0 0 "[ . 1 . 2]" 1
55 1 3 ARG QG 1 64 GLU H . . 5.500 5.013 4.471 5.215 . 0 0 "[ . 1 . 2]" 1
56 1 4 VAL H 1 4 VAL HB . . 3.500 2.540 2.173 2.878 . 0 0 "[ . 1 . 2]" 1
57 1 4 VAL H 1 4 VAL MG1 . . 3.810 2.387 2.089 2.598 . 0 0 "[ . 1 . 2]" 1
58 1 4 VAL H 1 4 VAL MG2 . . 3.830 3.837 3.602 3.925 0.095 15 0 "[ . 1 . 2]" 1
59 1 4 VAL H 1 29 ILE MG . . 4.900 3.657 3.182 4.235 . 0 0 "[ . 1 . 2]" 1
60 1 4 VAL H 1 30 TYR H . . 3.950 3.190 2.750 3.579 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL H 1 30 TYR HB2 . . 5.440 4.812 4.391 5.113 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL H 1 30 TYR HB3 . . 4.830 3.362 2.939 3.761 . 0 0 "[ . 1 . 2]" 1
63 1 4 VAL H 1 30 TYR QD . . 5.500 4.360 3.876 4.890 . 0 0 "[ . 1 . 2]" 1
64 1 4 VAL H 1 31 ASP HA . . 4.230 4.130 3.850 4.302 0.072 1 0 "[ . 1 . 2]" 1
65 1 4 VAL H 1 32 THR H . . 5.220 4.493 4.111 5.119 . 0 0 "[ . 1 . 2]" 1
66 1 4 VAL H 1 32 THR MG . . 4.590 3.833 3.138 4.359 . 0 0 "[ . 1 . 2]" 1
67 1 4 VAL H 1 63 VAL MG2 . . 5.500 4.380 3.609 4.692 . 0 0 "[ . 1 . 2]" 1
68 1 4 VAL H 1 65 TYR HB3 . . 5.500 4.866 3.788 5.503 0.003 4 0 "[ . 1 . 2]" 1
69 1 4 VAL HA 1 4 VAL MG2 . . 3.050 2.330 2.193 2.479 . 0 0 "[ . 1 . 2]" 1
70 1 4 VAL HA 1 5 ALA H . . 2.830 2.368 2.213 2.555 . 0 0 "[ . 1 . 2]" 1
71 1 4 VAL HA 1 63 VAL HA . . 5.110 4.440 3.786 4.817 . 0 0 "[ . 1 . 2]" 1
72 1 4 VAL HA 1 63 VAL MG1 . . 4.390 3.007 2.622 3.981 . 0 0 "[ . 1 . 2]" 1
73 1 4 VAL HA 1 63 VAL MG2 . . 4.340 4.318 3.940 4.457 0.117 8 0 "[ . 1 . 2]" 1
74 1 4 VAL HA 1 64 GLU H . . 5.020 4.389 3.885 5.081 0.061 17 0 "[ . 1 . 2]" 1
75 1 4 VAL HA 1 65 TYR H . . 3.580 3.541 3.228 3.653 0.073 13 0 "[ . 1 . 2]" 1
76 1 4 VAL HA 1 65 TYR HA . . 5.330 4.338 4.164 4.521 . 0 0 "[ . 1 . 2]" 1
77 1 4 VAL HA 1 65 TYR HB2 . . 4.090 2.276 1.934 3.124 . 0 0 "[ . 1 . 2]" 1
78 1 4 VAL HA 1 65 TYR HB3 . . 3.450 2.523 1.975 3.141 . 0 0 "[ . 1 . 2]" 1
79 1 4 VAL HA 1 65 TYR QD . . 4.290 3.862 3.605 4.113 . 0 0 "[ . 1 . 2]" 1
80 1 4 VAL HA 1 66 LEU HA . . 4.790 3.611 3.302 3.795 . 0 0 "[ . 1 . 2]" 1
81 1 4 VAL HA 1 66 LEU HB2 . . 5.060 4.993 4.691 5.130 0.070 15 0 "[ . 1 . 2]" 1
82 1 4 VAL HA 1 67 ILE H . . 5.500 5.403 5.072 5.570 0.070 9 0 "[ . 1 . 2]" 1
83 1 4 VAL HB 1 5 ALA H . . 4.540 4.424 4.168 4.597 0.057 7 0 "[ . 1 . 2]" 1
84 1 4 VAL HB 1 30 TYR H . . 4.770 4.742 4.416 4.854 0.084 4 0 "[ . 1 . 2]" 1
85 1 4 VAL HB 1 30 TYR HB2 . . 5.390 5.452 5.411 5.473 0.083 8 0 "[ . 1 . 2]" 1
86 1 4 VAL HB 1 30 TYR HB3 . . 3.810 3.884 3.811 3.922 0.112 14 0 "[ . 1 . 2]" 1
87 1 4 VAL HB 1 30 TYR QD . . 4.460 4.285 3.762 4.548 0.088 16 0 "[ . 1 . 2]" 1
88 1 4 VAL HB 1 32 THR MG . . 4.000 3.560 2.916 4.061 0.061 17 0 "[ . 1 . 2]" 1
89 1 4 VAL HB 1 65 TYR HB2 . . 5.250 3.415 2.533 4.119 . 0 0 "[ . 1 . 2]" 1
90 1 4 VAL HB 1 65 TYR HB3 . . 4.350 3.335 2.702 3.957 . 0 0 "[ . 1 . 2]" 1
91 1 4 VAL HB 1 65 TYR QD . . 3.550 3.605 3.270 3.678 0.128 3 0 "[ . 1 . 2]" 1
92 1 4 VAL HB 1 66 LEU H . . 5.500 5.413 5.091 5.585 0.085 15 0 "[ . 1 . 2]" 1
93 1 4 VAL HB 1 66 LEU HA . . 5.500 5.416 5.116 5.578 0.078 7 0 "[ . 1 . 2]" 1
94 1 4 VAL HB 1 67 ILE HG13 . . 5.500 5.112 4.769 5.453 . 0 0 "[ . 1 . 2]" 1
95 1 4 VAL MG1 1 5 ALA H . . 4.450 3.487 3.000 4.053 . 0 0 "[ . 1 . 2]" 1
96 1 4 VAL MG1 1 5 ALA HA . . 4.060 3.693 3.248 4.179 0.119 4 0 "[ . 1 . 2]" 1
97 1 4 VAL MG1 1 30 TYR H . . 5.020 2.505 1.975 3.172 . 0 0 "[ . 1 . 2]" 1
98 1 4 VAL MG1 1 30 TYR HB2 . . 4.110 2.952 2.715 3.117 . 0 0 "[ . 1 . 2]" 1
99 1 4 VAL MG1 1 30 TYR HB3 . . 4.060 1.914 1.796 2.051 . 0 0 "[ . 1 . 2]" 1
100 1 4 VAL MG1 1 30 TYR QD . . 3.780 3.008 2.314 3.442 . 0 0 "[ . 1 . 2]" 1
101 1 4 VAL MG1 1 32 THR H . . 5.500 5.246 4.128 5.592 0.092 6 0 "[ . 1 . 2]" 1
102 1 4 VAL MG1 1 32 THR MG . . 3.590 3.508 2.276 3.746 0.156 17 0 "[ . 1 . 2]" 1
103 1 4 VAL MG1 1 65 TYR HB2 . . 4.370 4.556 3.981 5.188 0.818 8 5 "[ ** + * . - 2]" 1
104 1 4 VAL MG1 1 65 TYR QD . . 5.430 4.700 4.207 4.921 . 0 0 "[ . 1 . 2]" 1
105 1 4 VAL MG1 1 98 ILE HA . . 5.500 4.438 3.997 5.160 . 0 0 "[ . 1 . 2]" 1
106 1 4 VAL MG1 1 98 ILE MG . . 4.630 3.477 3.098 3.822 . 0 0 "[ . 1 . 2]" 1
107 1 4 VAL MG1 1 101 PHE QD . . 4.980 4.239 3.739 5.075 0.095 9 0 "[ . 1 . 2]" 1
108 1 4 VAL MG2 1 5 ALA H . . 3.970 2.699 2.239 3.170 . 0 0 "[ . 1 . 2]" 1
109 1 4 VAL MG2 1 65 TYR HB2 . . 3.600 2.877 2.409 3.361 . 0 0 "[ . 1 . 2]" 1
110 1 4 VAL MG2 1 65 TYR HB3 . . 3.230 1.931 1.866 1.993 . 0 0 "[ . 1 . 2]" 1
111 1 4 VAL MG2 1 65 TYR QD . . 3.680 2.878 1.895 3.378 . 0 0 "[ . 1 . 2]" 1
112 1 4 VAL MG2 1 65 TYR QE . . 4.640 4.358 3.571 4.765 0.125 9 0 "[ . 1 . 2]" 1
113 1 4 VAL MG2 1 66 LEU HA . . 4.290 2.752 2.324 3.102 . 0 0 "[ . 1 . 2]" 1
114 1 4 VAL MG2 1 67 ILE H . . 4.800 3.429 2.875 3.958 . 0 0 "[ . 1 . 2]" 1
115 1 4 VAL MG2 1 67 ILE MD . . 3.170 2.132 2.008 2.275 . 0 0 "[ . 1 . 2]" 1
116 1 4 VAL MG2 1 67 ILE HG12 . . 5.310 3.537 3.357 3.827 . 0 0 "[ . 1 . 2]" 1
117 1 4 VAL MG2 1 67 ILE HG13 . . 4.000 2.340 2.169 2.574 . 0 0 "[ . 1 . 2]" 1
118 1 4 VAL MG2 1 101 PHE HB3 . . 5.500 4.688 4.307 5.099 . 0 0 "[ . 1 . 2]" 1
119 1 4 VAL MG2 1 101 PHE QD . . 3.820 3.794 3.507 3.944 0.124 10 0 "[ . 1 . 2]" 1
120 1 4 VAL MG2 1 101 PHE QE . . 3.820 3.495 2.995 3.914 0.094 10 0 "[ . 1 . 2]" 1
121 1 5 ALA H 1 5 ALA MB . . 3.380 2.447 2.301 2.635 . 0 0 "[ . 1 . 2]" 1
122 1 5 ALA H 1 6 ILE MD . . 5.500 4.040 3.800 4.562 . 0 0 "[ . 1 . 2]" 1
123 1 5 ALA H 1 29 ILE HG12 . . 5.470 5.039 4.813 5.285 . 0 0 "[ . 1 . 2]" 1
124 1 5 ALA H 1 58 LEU MD1 . . 5.500 5.238 4.575 5.591 0.091 16 0 "[ . 1 . 2]" 1
125 1 5 ALA H 1 63 VAL HA . . 5.500 5.433 5.118 5.582 0.082 8 0 "[ . 1 . 2]" 1
126 1 5 ALA H 1 63 VAL MG1 . . 4.100 2.859 2.489 3.743 . 0 0 "[ . 1 . 2]" 1
127 1 5 ALA H 1 65 TYR H . . 5.080 4.350 4.042 4.695 . 0 0 "[ . 1 . 2]" 1
128 1 5 ALA H 1 65 TYR HB3 . . 4.820 3.953 3.644 4.623 . 0 0 "[ . 1 . 2]" 1
129 1 5 ALA H 1 66 LEU H . . 5.500 4.097 3.892 4.257 . 0 0 "[ . 1 . 2]" 1
130 1 5 ALA H 1 66 LEU HA . . 3.510 1.997 1.884 2.130 . 0 0 "[ . 1 . 2]" 1
131 1 5 ALA H 1 66 LEU HB2 . . 5.500 3.538 3.166 3.717 . 0 0 "[ . 1 . 2]" 1
132 1 5 ALA H 1 66 LEU HB3 . . 5.440 4.664 4.424 4.776 . 0 0 "[ . 1 . 2]" 1
133 1 5 ALA H 1 66 LEU MD1 . . 4.950 3.560 3.208 3.808 . 0 0 "[ . 1 . 2]" 1
134 1 5 ALA H 1 66 LEU HG . . 5.210 5.295 5.272 5.312 0.102 8 0 "[ . 1 . 2]" 1
135 1 5 ALA H 1 67 ILE H . . 3.840 3.693 3.253 3.900 0.060 4 0 "[ . 1 . 2]" 1
136 1 5 ALA H 1 84 VAL MG1 . . 5.500 4.735 4.416 5.038 . 0 0 "[ . 1 . 2]" 1
137 1 5 ALA HA 1 6 ILE H . . 2.880 2.298 2.236 2.365 . 0 0 "[ . 1 . 2]" 1
138 1 5 ALA HA 1 6 ILE HA . . 5.500 4.491 4.446 4.554 . 0 0 "[ . 1 . 2]" 1
139 1 5 ALA HA 1 6 ILE HB . . 5.150 4.793 4.636 5.084 . 0 0 "[ . 1 . 2]" 1
140 1 5 ALA HA 1 6 ILE MD . . 3.960 2.860 2.671 3.378 . 0 0 "[ . 1 . 2]" 1
141 1 5 ALA HA 1 6 ILE HG13 . . 4.810 4.387 4.211 4.590 . 0 0 "[ . 1 . 2]" 1
142 1 5 ALA HA 1 28 ILE H . . 5.480 4.497 3.998 4.843 . 0 0 "[ . 1 . 2]" 1
143 1 5 ALA HA 1 28 ILE HB . . 5.500 5.051 4.828 5.280 . 0 0 "[ . 1 . 2]" 1
144 1 5 ALA HA 1 29 ILE HA . . 3.250 2.377 2.199 2.779 . 0 0 "[ . 1 . 2]" 1
145 1 5 ALA HA 1 29 ILE HB . . 5.300 4.991 4.818 5.331 0.031 8 0 "[ . 1 . 2]" 1
146 1 5 ALA HA 1 29 ILE MD . . 4.300 4.403 4.382 4.421 0.121 8 0 "[ . 1 . 2]" 1
147 1 5 ALA HA 1 29 ILE HG12 . . 4.300 2.820 2.766 2.921 . 0 0 "[ . 1 . 2]" 1
148 1 5 ALA HA 1 29 ILE HG13 . . 4.230 3.705 3.329 4.064 . 0 0 "[ . 1 . 2]" 1
149 1 5 ALA HA 1 29 ILE MG . . 4.530 3.758 3.162 4.359 . 0 0 "[ . 1 . 2]" 1
150 1 5 ALA HA 1 30 TYR H . . 4.220 3.576 3.423 3.863 . 0 0 "[ . 1 . 2]" 1
151 1 5 ALA HA 1 30 TYR HB3 . . 5.500 5.550 5.349 5.585 0.085 7 0 "[ . 1 . 2]" 1
152 1 5 ALA HA 1 58 LEU MD2 . . 5.500 4.328 3.830 4.725 . 0 0 "[ . 1 . 2]" 1
153 1 5 ALA HA 1 63 VAL MG1 . . 4.590 3.791 3.606 4.493 . 0 0 "[ . 1 . 2]" 1
154 1 5 ALA HA 1 63 VAL MG2 . . 4.130 3.814 3.557 4.085 . 0 0 "[ . 1 . 2]" 1
155 1 5 ALA HA 1 66 LEU MD1 . . 5.500 4.522 4.109 4.830 . 0 0 "[ . 1 . 2]" 1
156 1 5 ALA MB 1 6 ILE H . . 3.800 2.962 2.710 3.563 . 0 0 "[ . 1 . 2]" 1
157 1 5 ALA MB 1 27 PHE HB3 . . 4.530 2.836 2.499 3.730 . 0 0 "[ . 1 . 2]" 1
158 1 5 ALA MB 1 27 PHE QD . . 3.880 2.971 2.196 3.708 . 0 0 "[ . 1 . 2]" 1
159 1 5 ALA MB 1 27 PHE QE . . 4.800 4.451 3.273 4.908 0.108 6 0 "[ . 1 . 2]" 1
160 1 5 ALA MB 1 29 ILE H . . 5.500 5.264 4.836 5.587 0.087 19 0 "[ . 1 . 2]" 1
161 1 5 ALA MB 1 29 ILE HA . . 3.960 3.598 3.309 3.943 . 0 0 "[ . 1 . 2]" 1
162 1 5 ALA MB 1 29 ILE MD . . 4.300 3.381 3.152 3.638 . 0 0 "[ . 1 . 2]" 1
163 1 5 ALA MB 1 58 LEU MD1 . . 3.660 2.428 2.000 2.773 . 0 0 "[ . 1 . 2]" 1
164 1 5 ALA MB 1 58 LEU MD2 . . 3.530 2.594 2.093 3.296 . 0 0 "[ . 1 . 2]" 1
165 1 5 ALA MB 1 63 VAL MG1 . . 2.870 2.032 1.904 2.252 . 0 0 "[ . 1 . 2]" 1
166 1 5 ALA MB 1 63 VAL MG2 . . 3.320 2.414 2.128 2.725 . 0 0 "[ . 1 . 2]" 1
167 1 5 ALA MB 1 66 LEU HA . . 3.960 3.095 2.664 3.540 . 0 0 "[ . 1 . 2]" 1
168 1 5 ALA MB 1 66 LEU HB2 . . 5.500 3.130 2.564 3.660 . 0 0 "[ . 1 . 2]" 1
169 1 5 ALA MB 1 66 LEU HB3 . . 5.500 4.639 4.114 5.155 . 0 0 "[ . 1 . 2]" 1
170 1 5 ALA MB 1 66 LEU MD1 . . 3.420 2.510 2.237 2.966 . 0 0 "[ . 1 . 2]" 1
171 1 5 ALA MB 1 67 ILE H . . 5.500 4.188 3.840 4.719 . 0 0 "[ . 1 . 2]" 1
172 1 6 ILE H 1 6 ILE HB . . 3.510 2.766 2.612 2.933 . 0 0 "[ . 1 . 2]" 1
173 1 6 ILE H 1 6 ILE MD . . 3.840 2.408 1.866 2.596 . 0 0 "[ . 1 . 2]" 1
174 1 6 ILE H 1 6 ILE HG12 . . 4.920 4.359 3.885 4.531 . 0 0 "[ . 1 . 2]" 1
175 1 6 ILE H 1 6 ILE HG13 . . 4.280 3.471 2.968 3.651 . 0 0 "[ . 1 . 2]" 1
176 1 6 ILE H 1 7 PRO HD3 . . 5.500 4.442 4.217 4.687 . 0 0 "[ . 1 . 2]" 1
177 1 6 ILE H 1 27 PHE HB3 . . 4.730 4.125 3.577 4.788 0.058 6 0 "[ . 1 . 2]" 1
178 1 6 ILE H 1 27 PHE QD . . 5.060 4.016 2.931 4.961 . 0 0 "[ . 1 . 2]" 1
179 1 6 ILE H 1 28 ILE H . . 4.150 2.789 2.404 3.125 . 0 0 "[ . 1 . 2]" 1
180 1 6 ILE H 1 28 ILE HB . . 4.250 3.384 2.907 3.627 . 0 0 "[ . 1 . 2]" 1
181 1 6 ILE H 1 28 ILE MG . . 4.670 4.386 3.762 4.749 0.079 7 0 "[ . 1 . 2]" 1
182 1 6 ILE H 1 29 ILE HA . . 4.370 3.764 3.534 3.980 . 0 0 "[ . 1 . 2]" 1
183 1 6 ILE H 1 67 ILE HB . . 5.340 5.307 5.119 5.416 0.076 3 0 "[ . 1 . 2]" 1
184 1 6 ILE HA 1 6 ILE MD . . 4.490 3.521 3.404 3.613 . 0 0 "[ . 1 . 2]" 1
185 1 6 ILE HA 1 6 ILE HG12 . . 3.970 3.545 3.452 3.652 . 0 0 "[ . 1 . 2]" 1
186 1 6 ILE HA 1 6 ILE HG13 . . 3.620 2.505 2.369 2.640 . 0 0 "[ . 1 . 2]" 1
187 1 6 ILE HA 1 6 ILE MG . . 3.270 2.334 2.283 2.386 . 0 0 "[ . 1 . 2]" 1
188 1 6 ILE HA 1 7 PRO HD2 . . 3.240 2.390 2.264 2.565 . 0 0 "[ . 1 . 2]" 1
189 1 6 ILE HA 1 7 PRO HD3 . . 3.020 2.104 2.011 2.188 . 0 0 "[ . 1 . 2]" 1
190 1 6 ILE HA 1 7 PRO HG2 . . 5.040 4.407 4.346 4.469 . 0 0 "[ . 1 . 2]" 1
191 1 6 ILE HA 1 7 PRO HG3 . . 5.230 4.232 4.091 4.303 . 0 0 "[ . 1 . 2]" 1
192 1 6 ILE HA 1 67 ILE H . . 4.070 2.944 2.855 3.060 . 0 0 "[ . 1 . 2]" 1
193 1 6 ILE HA 1 67 ILE HB . . 4.060 2.933 2.794 3.046 . 0 0 "[ . 1 . 2]" 1
194 1 6 ILE HA 1 67 ILE MD . . 5.500 4.218 4.079 4.313 . 0 0 "[ . 1 . 2]" 1
195 1 6 ILE HB 1 6 ILE MD . . 3.410 2.220 2.187 2.257 . 0 0 "[ . 1 . 2]" 1
196 1 6 ILE HB 1 7 PRO HD2 . . 5.460 4.246 4.149 4.377 . 0 0 "[ . 1 . 2]" 1
197 1 6 ILE HB 1 27 PHE HA . . 5.310 4.970 4.723 5.153 . 0 0 "[ . 1 . 2]" 1
198 1 6 ILE HB 1 28 ILE H . . 4.420 3.432 3.120 3.764 . 0 0 "[ . 1 . 2]" 1
199 1 6 ILE HB 1 28 ILE MG . . 4.260 3.818 3.379 4.261 0.001 7 0 "[ . 1 . 2]" 1
200 1 6 ILE HB 1 67 ILE HB . . 4.570 4.656 4.639 4.667 0.097 8 0 "[ . 1 . 2]" 1
201 1 6 ILE HB 1 67 ILE MD . . 5.500 4.650 4.518 4.794 . 0 0 "[ . 1 . 2]" 1
202 1 6 ILE HB 1 94 VAL HA . . 5.500 4.238 3.964 4.407 . 0 0 "[ . 1 . 2]" 1
203 1 6 ILE HB 1 94 VAL MG1 . . 3.820 2.660 2.394 3.016 . 0 0 "[ . 1 . 2]" 1
204 1 6 ILE MD 1 28 ILE HB . . 4.360 2.678 2.374 3.106 . 0 0 "[ . 1 . 2]" 1
205 1 6 ILE MD 1 30 TYR HB2 . . 4.310 2.799 2.531 3.057 . 0 0 "[ . 1 . 2]" 1
206 1 6 ILE MD 1 30 TYR HB3 . . 3.890 3.161 2.907 3.343 . 0 0 "[ . 1 . 2]" 1
207 1 6 ILE MD 1 30 TYR QD . . 4.890 4.187 3.923 4.418 . 0 0 "[ . 1 . 2]" 1
208 1 6 ILE MD 1 98 ILE HA . . 4.750 4.674 4.396 4.817 0.067 2 0 "[ . 1 . 2]" 1
209 1 6 ILE MD 1 98 ILE MD . . 3.510 1.935 1.873 1.976 . 0 0 "[ . 1 . 2]" 1
210 1 6 ILE MD 1 98 ILE HG12 . . 4.210 4.249 4.153 4.295 0.085 5 0 "[ . 1 . 2]" 1
211 1 6 ILE MD 1 98 ILE HG13 . . 4.640 3.868 3.732 3.948 . 0 0 "[ . 1 . 2]" 1
212 1 6 ILE HG12 1 6 ILE MG . . 3.240 2.165 2.144 2.185 . 0 0 "[ . 1 . 2]" 1
213 1 6 ILE HG12 1 67 ILE H . . 5.080 4.886 4.622 5.135 0.055 8 0 "[ . 1 . 2]" 1
214 1 6 ILE HG12 1 67 ILE HB . . 3.400 3.147 2.946 3.359 . 0 0 "[ . 1 . 2]" 1
215 1 6 ILE HG12 1 67 ILE HG13 . . 5.300 4.761 4.464 5.117 . 0 0 "[ . 1 . 2]" 1
216 1 6 ILE HG12 1 98 ILE MD . . 4.080 2.020 1.965 2.078 . 0 0 "[ . 1 . 2]" 1
217 1 6 ILE HG12 1 98 ILE HG12 . . 5.270 4.182 4.033 4.348 . 0 0 "[ . 1 . 2]" 1
218 1 6 ILE HG13 1 7 PRO HD2 . . 4.980 4.453 4.229 4.718 . 0 0 "[ . 1 . 2]" 1
219 1 6 ILE HG13 1 7 PRO HD3 . . 5.080 4.486 4.294 4.645 . 0 0 "[ . 1 . 2]" 1
220 1 6 ILE HG13 1 30 TYR H . . 5.480 5.445 5.140 5.546 0.066 7 0 "[ . 1 . 2]" 1
221 1 6 ILE HG13 1 67 ILE H . . 4.590 3.358 3.087 3.732 . 0 0 "[ . 1 . 2]" 1
222 1 6 ILE HG13 1 67 ILE MD . . 4.750 2.282 2.164 2.383 . 0 0 "[ . 1 . 2]" 1
223 1 6 ILE MG 1 7 PRO HD2 . . 3.500 2.217 2.073 2.343 . 0 0 "[ . 1 . 2]" 1
224 1 6 ILE MG 1 7 PRO HD3 . . 3.580 3.315 3.115 3.448 . 0 0 "[ . 1 . 2]" 1
225 1 6 ILE MG 1 7 PRO HG2 . . 5.240 3.779 3.605 3.907 . 0 0 "[ . 1 . 2]" 1
226 1 6 ILE MG 1 8 SER HB2 . . 3.950 3.847 3.641 4.071 0.121 3 0 "[ . 1 . 2]" 1
227 1 6 ILE MG 1 28 ILE H . . 5.500 4.442 4.217 4.667 . 0 0 "[ . 1 . 2]" 1
228 1 6 ILE MG 1 67 ILE HA . . 5.500 5.040 4.828 5.178 . 0 0 "[ . 1 . 2]" 1
229 1 6 ILE MG 1 67 ILE HB . . 4.580 2.545 2.204 2.759 . 0 0 "[ . 1 . 2]" 1
230 1 6 ILE MG 1 67 ILE MG . . 3.690 2.775 2.155 3.047 . 0 0 "[ . 1 . 2]" 1
231 1 6 ILE MG 1 94 VAL H . . 4.960 4.698 4.438 4.932 . 0 0 "[ . 1 . 2]" 1
232 1 6 ILE MG 1 94 VAL HA . . 3.870 2.546 2.275 2.765 . 0 0 "[ . 1 . 2]" 1
233 1 6 ILE MG 1 94 VAL MG1 . . 3.190 2.701 2.416 3.052 . 0 0 "[ . 1 . 2]" 1
234 1 6 ILE MG 1 97 ALA MB . . 4.940 2.016 1.924 2.104 . 0 0 "[ . 1 . 2]" 1
235 1 6 ILE MG 1 98 ILE MD . . 5.500 3.076 2.820 3.209 . 0 0 "[ . 1 . 2]" 1
236 1 7 PRO HA 1 8 SER H . . 2.900 2.208 2.160 2.277 . 0 0 "[ . 1 . 2]" 1
237 1 7 PRO HA 1 8 SER HB2 . . 5.180 4.676 4.381 4.994 . 0 0 "[ . 1 . 2]" 1
238 1 7 PRO HA 1 18 SER H . . 5.500 4.803 4.550 4.992 . 0 0 "[ . 1 . 2]" 1
239 1 7 PRO HA 1 27 PHE HA . . 3.310 2.992 2.888 3.087 . 0 0 "[ . 1 . 2]" 1
240 1 7 PRO QB 1 8 SER H . . 4.350 3.656 3.251 3.872 . 0 0 "[ . 1 . 2]" 1
241 1 7 PRO QB 1 8 SER HA . . 4.810 4.634 4.255 4.820 0.010 17 0 "[ . 1 . 2]" 1
242 1 7 PRO QB 1 18 SER H . . 4.190 3.232 2.847 3.563 . 0 0 "[ . 1 . 2]" 1
243 1 7 PRO QB 1 18 SER HB2 . . 3.630 3.448 3.093 3.704 0.074 19 0 "[ . 1 . 2]" 1
244 1 7 PRO QB 1 18 SER HB3 . . 3.510 2.210 2.025 2.612 . 0 0 "[ . 1 . 2]" 1
245 1 7 PRO QB 1 21 PHE HA . . 4.060 2.360 2.100 2.889 . 0 0 "[ . 1 . 2]" 1
246 1 7 PRO QB 1 24 ALA HA . . 4.640 3.866 3.580 4.074 . 0 0 "[ . 1 . 2]" 1
247 1 7 PRO QB 1 24 ALA MB . . 2.930 1.852 1.797 1.933 . 0 0 "[ . 1 . 2]" 1
248 1 7 PRO QB 1 27 PHE HA . . 4.650 4.716 4.655 4.746 0.096 19 0 "[ . 1 . 2]" 1
249 1 7 PRO QB 1 27 PHE QD . . 5.430 3.440 3.147 3.882 . 0 0 "[ . 1 . 2]" 1
250 1 7 PRO QB 1 27 PHE QE . . 3.850 2.242 2.065 2.463 . 0 0 "[ . 1 . 2]" 1
251 1 7 PRO HD2 1 17 VAL MG1 . . 4.230 2.399 2.255 2.651 . 0 0 "[ . 1 . 2]" 1
252 1 7 PRO HD2 1 24 ALA MB . . 4.760 4.878 4.863 4.892 0.132 19 0 "[ . 1 . 2]" 1
253 1 7 PRO HD2 1 67 ILE H . . 5.330 4.231 4.040 4.841 . 0 0 "[ . 1 . 2]" 1
254 1 7 PRO HD2 1 67 ILE MG . . 4.880 3.869 3.194 4.085 . 0 0 "[ . 1 . 2]" 1
255 1 7 PRO HD2 1 68 ALA HA . . 3.610 3.688 3.662 3.701 0.091 11 0 "[ . 1 . 2]" 1
256 1 7 PRO HD2 1 68 ALA MB . . 4.880 3.820 3.535 4.065 . 0 0 "[ . 1 . 2]" 1
257 1 7 PRO HD3 1 24 ALA MB . . 4.890 4.743 4.577 4.877 . 0 0 "[ . 1 . 2]" 1
258 1 7 PRO HD3 1 27 PHE QE . . 4.530 4.316 2.985 4.614 0.084 6 0 "[ . 1 . 2]" 1
259 1 7 PRO HD3 1 66 LEU MD1 . . 3.760 2.169 2.038 2.393 . 0 0 "[ . 1 . 2]" 1
260 1 7 PRO HD3 1 67 ILE H . . 4.990 3.310 3.048 3.775 . 0 0 "[ . 1 . 2]" 1
261 1 7 PRO HD3 1 67 ILE HB . . 5.210 4.012 3.898 4.082 . 0 0 "[ . 1 . 2]" 1
262 1 7 PRO HD3 1 68 ALA HA . . 4.670 3.867 3.706 4.054 . 0 0 "[ . 1 . 2]" 1
263 1 7 PRO HG2 1 17 VAL MG1 . . 4.430 2.594 2.423 2.782 . 0 0 "[ . 1 . 2]" 1
264 1 7 PRO HG2 1 18 SER H . . 4.920 3.062 2.846 3.500 . 0 0 "[ . 1 . 2]" 1
265 1 7 PRO HG2 1 18 SER HB3 . . 5.340 3.499 3.105 3.842 . 0 0 "[ . 1 . 2]" 1
266 1 7 PRO HG2 1 66 LEU MD1 . . 4.160 4.171 4.054 4.267 0.107 19 0 "[ . 1 . 2]" 1
267 1 7 PRO HG2 1 68 ALA HA . . 4.510 3.172 2.849 3.338 . 0 0 "[ . 1 . 2]" 1
268 1 7 PRO HG2 1 68 ALA MB . . 4.210 3.421 3.154 3.683 . 0 0 "[ . 1 . 2]" 1
269 1 7 PRO HG2 1 69 SER H . . 5.500 4.474 4.182 4.972 . 0 0 "[ . 1 . 2]" 1
270 1 7 PRO HG3 1 21 PHE HA . . 5.220 2.807 2.566 3.164 . 0 0 "[ . 1 . 2]" 1
271 1 7 PRO HG3 1 21 PHE HB2 . . 4.990 3.504 2.752 4.163 . 0 0 "[ . 1 . 2]" 1
272 1 7 PRO HG3 1 21 PHE QD . . 4.000 3.446 3.234 4.053 0.053 19 0 "[ . 1 . 2]" 1
273 1 7 PRO HG3 1 21 PHE QE . . 5.500 5.514 5.342 5.600 0.100 19 0 "[ . 1 . 2]" 1
274 1 7 PRO HG3 1 24 ALA MB . . 4.910 3.910 3.666 4.154 . 0 0 "[ . 1 . 2]" 1
275 1 7 PRO HG3 1 27 PHE QD . . 5.500 5.085 4.674 5.401 . 0 0 "[ . 1 . 2]" 1
276 1 7 PRO HG3 1 27 PHE QE . . 4.270 4.132 3.459 4.345 0.075 9 0 "[ . 1 . 2]" 1
277 1 7 PRO HG3 1 66 LEU MD1 . . 4.570 2.852 2.690 2.986 . 0 0 "[ . 1 . 2]" 1
278 1 7 PRO HG3 1 66 LEU MD2 . . 5.500 4.382 4.083 4.698 . 0 0 "[ . 1 . 2]" 1
279 1 7 PRO HG3 1 67 ILE HB . . 5.500 5.590 5.580 5.600 0.100 19 0 "[ . 1 . 2]" 1
280 1 7 PRO HG3 1 68 ALA HA . . 4.990 2.885 2.712 3.161 . 0 0 "[ . 1 . 2]" 1
281 1 7 PRO HG3 1 68 ALA MB . . 4.510 2.157 2.025 2.424 . 0 0 "[ . 1 . 2]" 1
282 1 7 PRO HG3 1 69 SER H . . 5.500 4.627 4.255 5.201 . 0 0 "[ . 1 . 2]" 1
283 1 8 SER H 1 8 SER HB2 . . 3.680 2.929 2.595 3.184 . 0 0 "[ . 1 . 2]" 1
284 1 8 SER H 1 8 SER HB3 . . 3.660 2.359 2.101 2.530 . 0 0 "[ . 1 . 2]" 1
285 1 8 SER H 1 8 SER HG . . 5.200 4.378 4.124 4.511 . 0 0 "[ . 1 . 2]" 1
286 1 8 SER H 1 9 VAL H . . 5.260 4.463 4.351 4.569 . 0 0 "[ . 1 . 2]" 1
287 1 8 SER H 1 18 SER H . . 5.500 4.630 4.200 4.885 . 0 0 "[ . 1 . 2]" 1
288 1 8 SER H 1 24 ALA MB . . 4.060 2.909 2.533 3.319 . 0 0 "[ . 1 . 2]" 1
289 1 8 SER H 1 26 TYR H . . 4.070 3.086 2.725 3.396 . 0 0 "[ . 1 . 2]" 1
290 1 8 SER H 1 26 TYR HB2 . . 4.840 3.524 3.236 3.860 . 0 0 "[ . 1 . 2]" 1
291 1 8 SER H 1 26 TYR HB3 . . 4.900 4.514 4.175 4.702 . 0 0 "[ . 1 . 2]" 1
292 1 8 SER H 1 27 PHE HA . . 3.880 3.146 2.860 3.584 . 0 0 "[ . 1 . 2]" 1
293 1 8 SER H 1 27 PHE QD . . 5.500 4.187 3.653 4.606 . 0 0 "[ . 1 . 2]" 1
294 1 8 SER H 1 94 VAL MG2 . . 5.500 4.413 3.970 4.832 . 0 0 "[ . 1 . 2]" 1
295 1 8 SER HA 1 9 VAL H . . 2.970 2.436 2.358 2.544 . 0 0 "[ . 1 . 2]" 1
296 1 8 SER HA 1 9 VAL QG . . 4.440 3.406 3.217 3.499 . 0 0 "[ . 1 . 2]" 1
297 1 8 SER HA 1 10 GLY H . . 4.760 4.136 3.991 4.379 . 0 0 "[ . 1 . 2]" 1
298 1 8 SER HA 1 17 VAL H . . 5.500 4.729 4.551 4.987 . 0 0 "[ . 1 . 2]" 1
299 1 8 SER HA 1 17 VAL HA . . 3.300 2.291 2.051 2.522 . 0 0 "[ . 1 . 2]" 1
300 1 8 SER HA 1 17 VAL MG1 . . 4.770 3.954 3.193 4.193 . 0 0 "[ . 1 . 2]" 1
301 1 8 SER HA 1 18 SER H . . 3.240 3.198 2.961 3.324 0.084 19 0 "[ . 1 . 2]" 1
302 1 8 SER HA 1 18 SER HB2 . . 4.210 3.681 3.365 4.068 . 0 0 "[ . 1 . 2]" 1
303 1 8 SER HA 1 18 SER HB3 . . 4.570 4.642 4.578 4.652 0.082 2 0 "[ . 1 . 2]" 1
304 1 8 SER HA 1 94 VAL H . . 5.090 5.177 5.168 5.186 0.096 13 0 "[ . 1 . 2]" 1
305 1 8 SER HA 1 94 VAL MG2 . . 4.300 3.106 2.868 3.606 . 0 0 "[ . 1 . 2]" 1
306 1 8 SER HB2 1 9 VAL H . . 4.310 3.825 3.680 4.094 . 0 0 "[ . 1 . 2]" 1
307 1 8 SER HB2 1 17 VAL HA . . 4.640 4.123 3.887 4.366 . 0 0 "[ . 1 . 2]" 1
308 1 8 SER HB2 1 26 TYR HB2 . . 4.550 3.891 3.735 3.996 . 0 0 "[ . 1 . 2]" 1
309 1 8 SER HB2 1 26 TYR HB3 . . 4.820 4.655 4.366 4.836 0.016 18 0 "[ . 1 . 2]" 1
310 1 8 SER HB2 1 28 ILE H . . 4.850 3.943 3.630 4.462 . 0 0 "[ . 1 . 2]" 1
311 1 8 SER HB2 1 28 ILE HB . . 5.440 4.050 3.683 4.306 . 0 0 "[ . 1 . 2]" 1
312 1 8 SER HB2 1 28 ILE MD . . 4.250 3.044 2.168 3.714 . 0 0 "[ . 1 . 2]" 1
313 1 8 SER HB2 1 28 ILE HG12 . . 4.520 2.469 2.131 3.371 . 0 0 "[ . 1 . 2]" 1
314 1 8 SER HB2 1 28 ILE HG13 . . 4.460 3.419 2.653 4.556 0.096 14 0 "[ . 1 . 2]" 1
315 1 8 SER HB2 1 94 VAL HB . . 4.980 4.802 4.514 5.075 0.095 3 0 "[ . 1 . 2]" 1
316 1 8 SER HB2 1 94 VAL MG1 . . 4.590 3.655 3.264 4.009 . 0 0 "[ . 1 . 2]" 1
317 1 8 SER HB2 1 94 VAL MG2 . . 3.400 2.106 2.005 2.350 . 0 0 "[ . 1 . 2]" 1
318 1 8 SER HB3 1 9 VAL H . . 4.470 3.705 3.523 4.098 . 0 0 "[ . 1 . 2]" 1
319 1 8 SER HB3 1 10 GLY H . . 4.190 3.140 2.800 3.662 . 0 0 "[ . 1 . 2]" 1
320 1 8 SER HB3 1 17 VAL HA . . 5.370 5.217 5.028 5.396 0.026 8 0 "[ . 1 . 2]" 1
321 1 8 SER HB3 1 26 TYR H . . 5.000 3.664 3.316 3.935 . 0 0 "[ . 1 . 2]" 1
322 1 8 SER HB3 1 26 TYR HB2 . . 3.820 2.183 2.086 2.468 . 0 0 "[ . 1 . 2]" 1
323 1 8 SER HB3 1 26 TYR HB3 . . 4.350 3.090 2.870 3.303 . 0 0 "[ . 1 . 2]" 1
324 1 8 SER HB3 1 28 ILE H . . 4.720 3.981 3.376 4.592 . 0 0 "[ . 1 . 2]" 1
325 1 8 SER HB3 1 28 ILE HB . . 5.020 4.877 4.543 5.093 0.073 13 0 "[ . 1 . 2]" 1
326 1 8 SER HB3 1 28 ILE MD . . 4.280 2.645 1.975 3.285 . 0 0 "[ . 1 . 2]" 1
327 1 8 SER HB3 1 28 ILE HG12 . . 4.540 2.970 2.272 4.077 . 0 0 "[ . 1 . 2]" 1
328 1 8 SER HG 1 9 VAL H . . 4.550 3.355 3.034 3.752 . 0 0 "[ . 1 . 2]" 1
329 1 8 SER HG 1 10 GLY H . . 3.430 2.305 2.083 2.654 . 0 0 "[ . 1 . 2]" 1
330 1 8 SER HG 1 11 LYS H . . 5.500 4.831 4.582 5.267 . 0 0 "[ . 1 . 2]" 1
331 1 8 SER HG 1 26 TYR HB2 . . 3.140 3.028 2.459 3.236 0.096 9 0 "[ . 1 . 2]" 1
332 1 9 VAL H 1 9 VAL HB . . 3.900 3.858 3.783 3.898 . 0 0 "[ . 1 . 2]" 1
333 1 9 VAL H 1 9 VAL QG . . 3.240 2.277 2.161 2.366 . 0 0 "[ . 1 . 2]" 1
334 1 9 VAL H 1 10 GLY H . . 3.350 2.572 2.289 2.867 . 0 0 "[ . 1 . 2]" 1
335 1 9 VAL H 1 10 GLY QA . . 5.500 4.109 3.892 4.242 . 0 0 "[ . 1 . 2]" 1
336 1 9 VAL H 1 15 SER QB . . 4.450 3.112 2.811 3.570 . 0 0 "[ . 1 . 2]" 1
337 1 9 VAL H 1 16 MET HB2 . . 5.500 4.297 3.823 4.599 . 0 0 "[ . 1 . 2]" 1
338 1 9 VAL H 1 17 VAL HA . . 4.460 3.973 3.610 4.469 0.009 13 0 "[ . 1 . 2]" 1
339 1 9 VAL HA 1 9 VAL QG . . 3.010 2.321 2.220 2.378 . 0 0 "[ . 1 . 2]" 1
340 1 9 VAL HA 1 10 GLY QA . . 5.100 3.978 3.846 4.089 . 0 0 "[ . 1 . 2]" 1
341 1 9 VAL HA 1 24 ALA HA . . 5.500 5.028 4.694 5.455 . 0 0 "[ . 1 . 2]" 1
342 1 9 VAL HA 1 25 GLU H . . 4.510 3.193 2.879 3.715 . 0 0 "[ . 1 . 2]" 1
343 1 9 VAL HA 1 25 GLU HB2 . . 3.290 2.274 2.110 2.479 . 0 0 "[ . 1 . 2]" 1
344 1 9 VAL HA 1 25 GLU HB3 . . 4.030 3.632 3.245 4.097 0.067 10 0 "[ . 1 . 2]" 1
345 1 9 VAL HA 1 25 GLU QG . . 5.030 4.093 3.812 4.400 . 0 0 "[ . 1 . 2]" 1
346 1 9 VAL HA 1 26 TYR H . . 3.630 3.586 2.918 3.703 0.073 16 0 "[ . 1 . 2]" 1
347 1 9 VAL HA 1 26 TYR HB2 . . 3.700 3.763 3.626 3.788 0.088 8 0 "[ . 1 . 2]" 1
348 1 9 VAL HA 1 26 TYR QD . . 4.190 2.328 2.015 2.733 . 0 0 "[ . 1 . 2]" 1
349 1 9 VAL HB 1 10 GLY H . . 4.770 4.574 4.521 4.645 . 0 0 "[ . 1 . 2]" 1
350 1 9 VAL HB 1 10 GLY QA . . 5.390 4.712 4.598 4.817 . 0 0 "[ . 1 . 2]" 1
351 1 9 VAL HB 1 25 GLU H . . 4.970 4.778 4.379 5.052 0.082 19 0 "[ . 1 . 2]" 1
352 1 9 VAL QG 1 10 GLY H . . 4.230 3.664 3.537 3.806 . 0 0 "[ . 1 . 2]" 1
353 1 9 VAL QG 1 10 GLY QA . . 4.840 3.859 3.720 3.980 . 0 0 "[ . 1 . 2]" 1
354 1 9 VAL QG 1 15 SER QB . . 3.820 3.377 3.006 3.682 . 0 0 "[ . 1 . 2]" 1
355 1 9 VAL QG 1 16 MET H . . 3.750 2.900 2.591 3.299 . 0 0 "[ . 1 . 2]" 1
356 1 9 VAL QG 1 16 MET HB2 . . 3.960 2.298 2.056 2.599 . 0 0 "[ . 1 . 2]" 1
357 1 9 VAL QG 1 16 MET HB3 . . 4.060 2.667 2.457 2.912 . 0 0 "[ . 1 . 2]" 1
358 1 9 VAL QG 1 16 MET ME . . 4.770 3.837 3.542 4.033 . 0 0 "[ . 1 . 2]" 1
359 1 9 VAL QG 1 16 MET HG2 . . 5.470 4.487 3.957 4.741 . 0 0 "[ . 1 . 2]" 1
360 1 9 VAL QG 1 16 MET HG3 . . 5.500 3.939 3.572 4.184 . 0 0 "[ . 1 . 2]" 1
361 1 9 VAL QG 1 17 VAL H . . 5.500 4.443 4.229 4.731 . 0 0 "[ . 1 . 2]" 1
362 1 9 VAL QG 1 18 SER H . . 5.270 3.650 3.346 3.897 . 0 0 "[ . 1 . 2]" 1
363 1 9 VAL QG 1 18 SER HA . . 3.260 3.063 2.806 3.224 . 0 0 "[ . 1 . 2]" 1
364 1 9 VAL QG 1 18 SER HB2 . . 3.750 2.029 1.943 2.210 . 0 0 "[ . 1 . 2]" 1
365 1 9 VAL QG 1 18 SER HB3 . . 3.920 3.401 3.223 3.545 . 0 0 "[ . 1 . 2]" 1
366 1 9 VAL QG 1 19 ASP H . . 4.880 4.504 4.289 4.701 . 0 0 "[ . 1 . 2]" 1
367 1 9 VAL QG 1 25 GLU HB2 . . 3.000 2.941 2.634 3.069 0.069 3 0 "[ . 1 . 2]" 1
368 1 10 GLY H 1 12 ASP H . . 5.500 4.496 4.082 4.983 . 0 0 "[ . 1 . 2]" 1
369 1 10 GLY H 1 15 SER QB . . 3.680 3.070 2.842 3.370 . 0 0 "[ . 1 . 2]" 1
370 1 10 GLY H 1 25 GLU HB2 . . 5.500 4.708 4.369 4.996 . 0 0 "[ . 1 . 2]" 1
371 1 10 GLY H 1 26 TYR HB2 . . 4.940 2.621 2.371 2.836 . 0 0 "[ . 1 . 2]" 1
372 1 10 GLY H 1 26 TYR HB3 . . 5.370 3.980 3.632 4.204 . 0 0 "[ . 1 . 2]" 1
373 1 10 GLY H 1 26 TYR QD . . 4.710 2.632 2.376 2.810 . 0 0 "[ . 1 . 2]" 1
374 1 10 GLY QA 1 11 LYS H . . 3.260 2.308 2.239 2.366 . 0 0 "[ . 1 . 2]" 1
375 1 10 GLY QA 1 11 LYS HG2 . . 4.710 4.004 3.183 4.792 0.082 4 0 "[ . 1 . 2]" 1
376 1 10 GLY QA 1 11 LYS HG3 . . 5.500 4.046 3.202 5.075 . 0 0 "[ . 1 . 2]" 1
377 1 10 GLY QA 1 12 ASP H . . 4.470 3.638 3.362 4.067 . 0 0 "[ . 1 . 2]" 1
378 1 10 GLY QA 1 15 SER QB . . 4.570 2.565 2.157 2.956 . 0 0 "[ . 1 . 2]" 1
379 1 10 GLY QA 1 26 TYR QD . . 4.120 3.161 2.577 3.624 . 0 0 "[ . 1 . 2]" 1
380 1 10 GLY QA 1 26 TYR QE . . 4.360 2.810 2.572 2.947 . 0 0 "[ . 1 . 2]" 1
381 1 11 LYS H 1 11 LYS HB2 . . 3.590 3.124 2.304 3.892 0.302 8 0 "[ . 1 . 2]" 1
382 1 11 LYS H 1 11 LYS HB3 . . 4.040 3.427 2.968 3.835 . 0 0 "[ . 1 . 2]" 1
383 1 11 LYS H 1 11 LYS QD . . 5.120 4.324 4.010 4.924 . 0 0 "[ . 1 . 2]" 1
384 1 11 LYS H 1 11 LYS HG2 . . 3.940 3.030 1.919 4.169 0.229 14 0 "[ . 1 . 2]" 1
385 1 11 LYS H 1 11 LYS HG3 . . 4.430 2.898 2.552 3.349 . 0 0 "[ . 1 . 2]" 1
386 1 11 LYS H 1 12 ASP H . . 3.140 3.016 2.696 3.213 0.073 2 0 "[ . 1 . 2]" 1
387 1 11 LYS H 1 12 ASP HB3 . . 5.500 5.439 4.792 5.582 0.082 1 0 "[ . 1 . 2]" 1
388 1 11 LYS H 1 26 TYR QD . . 5.050 4.817 4.305 5.130 0.080 9 0 "[ . 1 . 2]" 1
389 1 11 LYS HA 1 11 LYS HG2 . . 3.680 3.151 2.355 3.756 0.076 15 0 "[ . 1 . 2]" 1
390 1 11 LYS HA 1 11 LYS HG3 . . 3.730 3.469 2.903 3.814 0.084 5 0 "[ . 1 . 2]" 1
391 1 11 LYS HA 1 26 TYR HB2 . . 5.500 4.524 3.967 4.924 . 0 0 "[ . 1 . 2]" 1
392 1 11 LYS HA 1 26 TYR HB3 . . 5.020 3.790 3.273 4.385 . 0 0 "[ . 1 . 2]" 1
393 1 11 LYS HA 1 26 TYR QD . . 4.350 3.776 3.323 4.410 0.060 10 0 "[ . 1 . 2]" 1
394 1 11 LYS HA 1 28 ILE MD . . 4.200 3.118 2.727 3.895 . 0 0 "[ . 1 . 2]" 1
395 1 11 LYS HA 1 39 VAL MG1 . . 3.560 2.206 1.980 2.511 . 0 0 "[ . 1 . 2]" 1
396 1 11 LYS HB2 1 11 LYS QE . . 4.200 3.313 2.201 4.243 0.043 8 0 "[ . 1 . 2]" 1
397 1 11 LYS HB2 1 12 ASP H . . 5.100 4.414 4.266 4.573 . 0 0 "[ . 1 . 2]" 1
398 1 11 LYS HB2 1 26 TYR QE . . 4.360 4.289 3.807 4.474 0.114 14 0 "[ . 1 . 2]" 1
399 1 11 LYS HB2 1 39 VAL MG1 . . 4.740 3.130 2.184 4.184 . 0 0 "[ . 1 . 2]" 1
400 1 11 LYS HB2 1 39 VAL MG2 . . 4.700 3.773 2.697 4.790 0.090 6 0 "[ . 1 . 2]" 1
401 1 11 LYS HB3 1 11 LYS QD . . 2.650 2.490 2.100 3.035 0.385 15 0 "[ . 1 . 2]" 1
402 1 11 LYS HB3 1 11 LYS QE . . 4.690 3.171 2.072 4.022 . 0 0 "[ . 1 . 2]" 1
403 1 11 LYS HB3 1 12 ASP H . . 4.960 4.580 4.428 4.706 . 0 0 "[ . 1 . 2]" 1
404 1 11 LYS HB3 1 26 TYR QD . . 5.500 3.867 2.758 5.021 . 0 0 "[ . 1 . 2]" 1
405 1 11 LYS HB3 1 26 TYR QE . . 4.450 3.620 2.383 4.557 0.107 10 0 "[ . 1 . 2]" 1
406 1 11 LYS HB3 1 39 VAL HB . . 4.500 4.425 3.841 5.106 0.606 12 2 "[ . 1-+ . 2]" 1
407 1 11 LYS HB3 1 39 VAL MG1 . . 4.630 2.575 2.155 3.111 . 0 0 "[ . 1 . 2]" 1
408 1 11 LYS HB3 1 39 VAL MG2 . . 4.480 3.594 2.842 4.538 0.058 12 0 "[ . 1 . 2]" 1
409 1 11 LYS QE 1 26 TYR QE . . 4.290 2.748 1.887 4.175 . 0 0 "[ . 1 . 2]" 1
410 1 11 LYS HG2 1 26 TYR QD . . 5.140 3.713 2.172 5.220 0.080 1 0 "[ . 1 . 2]" 1
411 1 11 LYS HG2 1 26 TYR QE . . 4.080 3.173 2.338 4.181 0.101 12 0 "[ . 1 . 2]" 1
412 1 11 LYS HG3 1 26 TYR QE . . 5.020 3.705 2.217 5.102 0.082 11 0 "[ . 1 . 2]" 1
413 1 11 LYS HG3 1 39 VAL MG2 . . 4.820 4.951 4.513 5.366 0.546 6 1 "[ .+ 1 . 2]" 1
414 1 12 ASP H 1 12 ASP HB2 . . 3.740 2.771 2.640 2.978 . 0 0 "[ . 1 . 2]" 1
415 1 12 ASP H 1 12 ASP HB3 . . 3.800 3.538 2.826 3.840 0.040 12 0 "[ . 1 . 2]" 1
416 1 12 ASP H 1 13 LEU H . . 5.100 4.305 4.186 4.406 . 0 0 "[ . 1 . 2]" 1
417 1 12 ASP H 1 15 SER QB . . 4.270 2.965 2.431 3.427 . 0 0 "[ . 1 . 2]" 1
418 1 12 ASP H 1 28 ILE MD . . 4.940 3.726 3.137 4.508 . 0 0 "[ . 1 . 2]" 1
419 1 12 ASP H 1 39 VAL MG1 . . 5.500 4.378 4.033 4.634 . 0 0 "[ . 1 . 2]" 1
420 1 12 ASP H 1 39 VAL MG2 . . 5.500 4.273 3.826 4.502 . 0 0 "[ . 1 . 2]" 1
421 1 12 ASP HA 1 12 ASP HB2 . . 2.940 2.930 2.634 3.020 0.080 14 0 "[ . 1 . 2]" 1
422 1 12 ASP HA 1 12 ASP HB3 . . 2.980 2.742 2.399 3.018 0.038 16 0 "[ . 1 . 2]" 1
423 1 12 ASP HA 1 13 LEU H . . 3.170 2.261 2.124 2.459 . 0 0 "[ . 1 . 2]" 1
424 1 12 ASP HA 1 13 LEU HA . . 4.340 4.388 4.279 4.418 0.078 9 0 "[ . 1 . 2]" 1
425 1 12 ASP HA 1 13 LEU HB2 . . 5.320 4.085 3.945 4.317 . 0 0 "[ . 1 . 2]" 1
426 1 12 ASP HA 1 13 LEU MD2 . . 5.120 5.079 4.761 5.200 0.080 5 0 "[ . 1 . 2]" 1
427 1 12 ASP HA 1 14 SER H . . 5.080 3.862 3.526 4.250 . 0 0 "[ . 1 . 2]" 1
428 1 12 ASP HA 1 15 SER H . . 5.500 4.879 4.627 5.109 . 0 0 "[ . 1 . 2]" 1
429 1 12 ASP HA 1 39 VAL MG2 . . 4.420 4.093 3.668 4.476 0.056 10 0 "[ . 1 . 2]" 1
430 1 12 ASP HB2 1 13 LEU H . . 3.960 4.003 3.782 4.044 0.084 4 0 "[ . 1 . 2]" 1
431 1 12 ASP HB2 1 14 SER H . . 4.080 3.540 2.604 4.114 0.034 7 0 "[ . 1 . 2]" 1
432 1 12 ASP HB2 1 15 SER H . . 4.530 3.889 2.832 4.601 0.071 7 0 "[ . 1 . 2]" 1
433 1 12 ASP HB2 1 15 SER QB . . 5.430 3.820 2.638 4.666 . 0 0 "[ . 1 . 2]" 1
434 1 12 ASP HB3 1 13 LEU H . . 3.980 2.910 2.579 3.442 . 0 0 "[ . 1 . 2]" 1
435 1 12 ASP HB3 1 13 LEU HB2 . . 5.450 4.996 4.618 5.572 0.122 2 0 "[ . 1 . 2]" 1
436 1 12 ASP HB3 1 13 LEU HB3 . . 5.500 4.931 4.516 5.522 0.022 16 0 "[ . 1 . 2]" 1
437 1 12 ASP HB3 1 14 SER H . . 3.720 2.279 1.851 2.783 . 0 0 "[ . 1 . 2]" 1
438 1 12 ASP HB3 1 15 SER H . . 4.450 3.488 2.601 4.177 . 0 0 "[ . 1 . 2]" 1
439 1 13 LEU H 1 13 LEU HB2 . . 3.120 2.178 1.954 2.400 . 0 0 "[ . 1 . 2]" 1
440 1 13 LEU H 1 13 LEU MD1 . . 4.970 4.328 4.255 4.395 . 0 0 "[ . 1 . 2]" 1
441 1 13 LEU H 1 13 LEU MD2 . . 4.890 3.851 3.499 4.040 . 0 0 "[ . 1 . 2]" 1
442 1 13 LEU H 1 14 SER H . . 3.760 2.559 2.185 2.906 . 0 0 "[ . 1 . 2]" 1
443 1 13 LEU H 1 14 SER QB . . 5.380 4.639 4.019 5.120 . 0 0 "[ . 1 . 2]" 1
444 1 13 LEU H 1 15 SER H . . 5.160 4.311 3.991 4.579 . 0 0 "[ . 1 . 2]" 1
445 1 13 LEU HA 1 13 LEU MD1 . . 3.300 2.731 2.569 2.850 . 0 0 "[ . 1 . 2]" 1
446 1 13 LEU HA 1 13 LEU MD2 . . 3.000 2.206 2.141 2.281 . 0 0 "[ . 1 . 2]" 1
447 1 13 LEU HA 1 94 VAL H . . 4.890 4.869 4.676 4.962 0.072 15 0 "[ . 1 . 2]" 1
448 1 13 LEU HA 1 94 VAL HA . . 5.430 5.270 5.117 5.427 . 0 0 "[ . 1 . 2]" 1
449 1 13 LEU HA 1 94 VAL HB . . 3.130 2.453 2.296 2.556 . 0 0 "[ . 1 . 2]" 1
450 1 13 LEU HA 1 94 VAL MG1 . . 3.800 2.470 2.197 2.820 . 0 0 "[ . 1 . 2]" 1
451 1 13 LEU HA 1 95 GLN H . . 4.200 4.266 4.221 4.278 0.078 9 0 "[ . 1 . 2]" 1
452 1 13 LEU HB2 1 13 LEU MD1 . . 3.210 3.226 3.184 3.267 0.057 20 0 "[ . 1 . 2]" 1
453 1 13 LEU HB2 1 14 SER H . . 4.200 3.998 3.778 4.158 . 0 0 "[ . 1 . 2]" 1
454 1 13 LEU HB2 1 94 VAL HB . . 4.770 4.990 4.844 5.074 0.304 16 0 "[ . 1 . 2]" 1
455 1 13 LEU HB3 1 14 SER H . . 4.700 3.353 3.062 3.684 . 0 0 "[ . 1 . 2]" 1
456 1 13 LEU HB3 1 15 SER H . . 5.500 5.261 5.111 5.529 0.029 14 0 "[ . 1 . 2]" 1
457 1 13 LEU HB3 1 94 VAL HB . . 5.000 4.794 4.560 4.850 . 0 0 "[ . 1 . 2]" 1
458 1 13 LEU HB3 1 94 VAL MG1 . . 5.240 4.644 4.440 4.866 . 0 0 "[ . 1 . 2]" 1
459 1 13 LEU MD1 1 14 SER QB . . 5.500 4.229 4.146 4.320 . 0 0 "[ . 1 . 2]" 1
460 1 13 LEU MD1 1 98 ILE MD . . 4.270 4.067 3.759 4.344 0.074 20 0 "[ . 1 . 2]" 1
461 1 13 LEU MD1 1 98 ILE HG13 . . 5.500 3.344 3.034 3.563 . 0 0 "[ . 1 . 2]" 1
462 1 13 LEU MD1 1 99 ASP H . . 5.500 5.484 5.203 5.593 0.093 20 0 "[ . 1 . 2]" 1
463 1 13 LEU MD2 1 14 SER H . . 5.500 4.973 4.886 5.016 . 0 0 "[ . 1 . 2]" 1
464 1 13 LEU MD2 1 15 SER H . . 5.500 5.305 5.085 5.475 . 0 0 "[ . 1 . 2]" 1
465 1 13 LEU MD2 1 37 VAL MG1 . . 3.720 2.381 2.124 2.622 . 0 0 "[ . 1 . 2]" 1
466 1 13 LEU MD2 1 37 VAL MG2 . . 4.790 2.520 2.332 2.732 . 0 0 "[ . 1 . 2]" 1
467 1 13 LEU MD2 1 38 GLU H . . 5.500 5.501 5.096 5.596 0.096 20 0 "[ . 1 . 2]" 1
468 1 13 LEU MD2 1 94 VAL HB . . 4.980 3.476 3.163 3.672 . 0 0 "[ . 1 . 2]" 1
469 1 13 LEU MD2 1 94 VAL MG1 . . 3.080 2.079 1.997 2.257 . 0 0 "[ . 1 . 2]" 1
470 1 13 LEU MD2 1 95 GLN H . . 5.040 4.540 4.379 4.684 . 0 0 "[ . 1 . 2]" 1
471 1 13 LEU MD2 1 95 GLN HA . . 4.200 4.184 3.958 4.287 0.087 3 0 "[ . 1 . 2]" 1
472 1 13 LEU MD2 1 95 GLN HB2 . . 4.800 4.722 4.472 4.887 0.087 10 0 "[ . 1 . 2]" 1
473 1 13 LEU MD2 1 98 ILE MD . . 3.950 3.981 3.673 4.065 0.115 1 0 "[ . 1 . 2]" 1
474 1 14 SER H 1 14 SER QB . . 3.740 2.683 2.272 3.152 . 0 0 "[ . 1 . 2]" 1
475 1 14 SER H 1 15 SER H . . 3.500 2.674 2.347 2.956 . 0 0 "[ . 1 . 2]" 1
476 1 14 SER HA 1 93 THR MG . . 4.030 3.341 3.044 3.828 . 0 0 "[ . 1 . 2]" 1
477 1 14 SER HA 1 94 VAL H . . 4.260 3.611 3.379 4.007 . 0 0 "[ . 1 . 2]" 1
478 1 14 SER HA 1 94 VAL MG1 . . 4.960 5.024 4.806 5.062 0.102 7 0 "[ . 1 . 2]" 1
479 1 14 SER HA 1 95 GLN H . . 5.120 3.156 2.991 3.366 . 0 0 "[ . 1 . 2]" 1
480 1 14 SER QB 1 15 SER H . . 4.640 3.921 3.770 4.082 . 0 0 "[ . 1 . 2]" 1
481 1 14 SER QB 1 15 SER HA . . 4.500 4.436 4.425 4.443 . 0 0 "[ . 1 . 2]" 1
482 1 14 SER QB 1 93 THR MG . . 5.500 3.694 2.968 4.647 . 0 0 "[ . 1 . 2]" 1
483 1 14 SER QB 1 95 GLN H . . 5.390 4.615 4.236 5.098 . 0 0 "[ . 1 . 2]" 1
484 1 15 SER H 1 15 SER QB . . 3.230 2.459 2.316 2.647 . 0 0 "[ . 1 . 2]" 1
485 1 15 SER H 1 94 VAL H . . 5.250 3.302 2.961 3.549 . 0 0 "[ . 1 . 2]" 1
486 1 15 SER H 1 94 VAL HB . . 4.730 3.041 2.787 3.471 . 0 0 "[ . 1 . 2]" 1
487 1 15 SER H 1 94 VAL MG2 . . 4.360 2.818 1.988 3.259 . 0 0 "[ . 1 . 2]" 1
488 1 15 SER H 1 95 GLN H . . 5.440 4.677 4.443 4.926 . 0 0 "[ . 1 . 2]" 1
489 1 15 SER HA 1 16 MET H . . 2.880 2.602 2.449 2.780 . 0 0 "[ . 1 . 2]" 1
490 1 15 SER HA 1 16 MET HG2 . . 5.500 4.947 4.115 5.318 . 0 0 "[ . 1 . 2]" 1
491 1 15 SER QB 1 16 MET H . . 3.620 2.478 2.277 2.730 . 0 0 "[ . 1 . 2]" 1
492 1 15 SER QB 1 16 MET HB2 . . 4.450 4.172 4.002 4.397 . 0 0 "[ . 1 . 2]" 1
493 1 15 SER QB 1 94 VAL H . . 4.690 4.033 3.658 4.438 . 0 0 "[ . 1 . 2]" 1
494 1 15 SER QB 1 94 VAL HB . . 5.500 4.281 3.803 4.954 . 0 0 "[ . 1 . 2]" 1
495 1 15 SER QB 1 94 VAL MG2 . . 3.990 2.682 2.211 3.446 . 0 0 "[ . 1 . 2]" 1
496 1 16 MET H 1 16 MET HB2 . . 3.280 2.100 1.996 2.225 . 0 0 "[ . 1 . 2]" 1
497 1 16 MET H 1 16 MET HB3 . . 3.900 3.400 3.316 3.496 . 0 0 "[ . 1 . 2]" 1
498 1 16 MET H 1 16 MET HG2 . . 4.010 3.421 2.582 3.770 . 0 0 "[ . 1 . 2]" 1
499 1 16 MET H 1 16 MET HG3 . . 3.530 3.431 3.152 3.620 0.090 12 0 "[ . 1 . 2]" 1
500 1 16 MET H 1 17 VAL H . . 4.740 4.643 4.534 4.699 . 0 0 "[ . 1 . 2]" 1
501 1 16 MET H 1 93 THR HA . . 5.260 4.542 4.414 4.627 . 0 0 "[ . 1 . 2]" 1
502 1 16 MET H 1 93 THR HB . . 5.500 5.045 4.836 5.291 . 0 0 "[ . 1 . 2]" 1
503 1 16 MET H 1 94 VAL H . . 5.500 4.882 4.776 4.996 . 0 0 "[ . 1 . 2]" 1
504 1 16 MET H 1 94 VAL MG2 . . 5.500 4.501 4.208 4.795 . 0 0 "[ . 1 . 2]" 1
505 1 16 MET HA 1 16 MET ME . . 4.430 2.693 2.332 3.016 . 0 0 "[ . 1 . 2]" 1
506 1 16 MET HA 1 16 MET HG3 . . 4.090 3.415 3.218 3.640 . 0 0 "[ . 1 . 2]" 1
507 1 16 MET HA 1 17 VAL H . . 2.940 2.224 2.094 2.284 . 0 0 "[ . 1 . 2]" 1
508 1 16 MET HA 1 17 VAL MG2 . . 3.720 3.714 3.426 3.807 0.087 6 0 "[ . 1 . 2]" 1
509 1 16 MET HA 1 93 THR H . . 4.630 4.688 4.627 4.716 0.086 17 0 "[ . 1 . 2]" 1
510 1 16 MET HA 1 93 THR HA . . 2.830 2.109 1.988 2.203 . 0 0 "[ . 1 . 2]" 1
511 1 16 MET HA 1 93 THR MG . . 3.770 2.528 2.135 2.812 . 0 0 "[ . 1 . 2]" 1
512 1 16 MET HA 1 94 VAL H . . 4.110 3.738 3.462 4.005 . 0 0 "[ . 1 . 2]" 1
513 1 16 MET HB2 1 17 VAL H . . 4.890 4.392 4.248 4.551 . 0 0 "[ . 1 . 2]" 1
514 1 16 MET HB3 1 17 VAL H . . 3.870 3.298 3.014 3.547 . 0 0 "[ . 1 . 2]" 1
515 1 16 MET HB3 1 93 THR HA . . 4.780 4.692 4.384 4.845 0.065 18 0 "[ . 1 . 2]" 1
516 1 16 MET HB3 1 93 THR MG . . 4.880 4.694 4.153 4.974 0.094 3 0 "[ . 1 . 2]" 1
517 1 16 MET ME 1 16 MET HG2 . . 3.980 2.645 2.401 3.467 . 0 0 "[ . 1 . 2]" 1
518 1 16 MET ME 1 91 GLY HA2 . . 5.500 3.330 2.950 4.111 . 0 0 "[ . 1 . 2]" 1
519 1 16 MET ME 1 92 GLY H . . 4.680 2.588 2.126 2.996 . 0 0 "[ . 1 . 2]" 1
520 1 16 MET ME 1 92 GLY HA2 . . 4.200 4.137 3.763 4.301 0.101 15 0 "[ . 1 . 2]" 1
521 1 16 MET ME 1 93 THR HA . . 4.370 3.526 3.142 3.718 . 0 0 "[ . 1 . 2]" 1
522 1 16 MET ME 1 93 THR MG . . 3.590 3.611 3.169 3.711 0.121 7 0 "[ . 1 . 2]" 1
523 1 16 MET ME 1 94 VAL H . . 5.500 5.432 5.086 5.594 0.094 19 0 "[ . 1 . 2]" 1
524 1 16 MET HG2 1 17 VAL H . . 5.220 3.981 3.624 4.766 . 0 0 "[ . 1 . 2]" 1
525 1 16 MET HG2 1 93 THR HB . . 5.500 4.971 4.720 5.513 0.013 12 0 "[ . 1 . 2]" 1
526 1 16 MET HG3 1 17 VAL H . . 5.500 5.126 4.959 5.336 . 0 0 "[ . 1 . 2]" 1
527 1 16 MET HG3 1 93 THR HA . . 5.500 5.285 4.918 5.552 0.052 1 0 "[ . 1 . 2]" 1
528 1 16 MET HG3 1 93 THR MG . . 5.010 3.947 3.473 4.509 . 0 0 "[ . 1 . 2]" 1
529 1 17 VAL H 1 17 VAL HB . . 3.160 2.436 2.353 2.727 . 0 0 "[ . 1 . 2]" 1
530 1 17 VAL H 1 17 VAL MG1 . . 4.300 3.813 3.752 3.864 . 0 0 "[ . 1 . 2]" 1
531 1 17 VAL H 1 17 VAL MG2 . . 3.520 2.326 2.120 2.554 . 0 0 "[ . 1 . 2]" 1
532 1 17 VAL H 1 92 GLY H . . 4.670 4.012 3.624 4.536 . 0 0 "[ . 1 . 2]" 1
533 1 17 VAL H 1 93 THR HA . . 3.460 2.463 2.335 2.585 . 0 0 "[ . 1 . 2]" 1
534 1 17 VAL H 1 93 THR HB . . 4.770 4.840 4.761 4.853 0.083 8 0 "[ . 1 . 2]" 1
535 1 17 VAL H 1 94 VAL HA . . 5.500 4.757 4.497 5.080 . 0 0 "[ . 1 . 2]" 1
536 1 17 VAL H 1 97 ALA MB . . 5.500 5.345 5.043 5.576 0.076 2 0 "[ . 1 . 2]" 1
537 1 17 VAL HA 1 17 VAL MG1 . . 3.240 2.544 2.197 2.659 . 0 0 "[ . 1 . 2]" 1
538 1 17 VAL HA 1 17 VAL MG2 . . 3.060 2.327 2.249 2.545 . 0 0 "[ . 1 . 2]" 1
539 1 17 VAL HA 1 18 SER H . . 2.870 2.202 2.019 2.386 . 0 0 "[ . 1 . 2]" 1
540 1 17 VAL HA 1 94 VAL HA . . 5.310 4.457 4.164 4.776 . 0 0 "[ . 1 . 2]" 1
541 1 17 VAL HA 1 94 VAL MG2 . . 4.050 3.459 3.180 4.142 0.092 3 0 "[ . 1 . 2]" 1
542 1 17 VAL HB 1 18 SER H . . 4.030 3.980 3.715 4.116 0.086 6 0 "[ . 1 . 2]" 1
543 1 17 VAL HB 1 89 PHE QD . . 3.550 3.653 3.601 3.664 0.114 6 0 "[ . 1 . 2]" 1
544 1 17 VAL HB 1 89 PHE QE . . 4.250 2.352 2.197 2.672 . 0 0 "[ . 1 . 2]" 1
545 1 17 VAL HB 1 89 PHE HZ . . 3.800 2.672 2.561 2.761 . 0 0 "[ . 1 . 2]" 1
546 1 17 VAL HB 1 91 GLY HA2 . . 5.450 5.055 4.575 5.461 0.011 2 0 "[ . 1 . 2]" 1
547 1 17 VAL HB 1 92 GLY H . . 4.300 3.884 3.166 4.363 0.063 11 0 "[ . 1 . 2]" 1
548 1 17 VAL HB 1 93 THR HA . . 4.220 4.174 3.968 4.298 0.078 2 0 "[ . 1 . 2]" 1
549 1 17 VAL HB 1 94 VAL HA . . 5.500 4.616 4.421 4.810 . 0 0 "[ . 1 . 2]" 1
550 1 17 VAL MG1 1 18 SER H . . 3.690 2.461 2.176 2.701 . 0 0 "[ . 1 . 2]" 1
551 1 17 VAL MG1 1 18 SER HA . . 5.290 4.276 4.034 4.477 . 0 0 "[ . 1 . 2]" 1
552 1 17 VAL MG1 1 18 SER HB3 . . 5.500 4.256 3.995 4.552 . 0 0 "[ . 1 . 2]" 1
553 1 17 VAL MG1 1 19 ASP HA . . 4.500 4.304 3.994 4.585 0.085 2 0 "[ . 1 . 2]" 1
554 1 17 VAL MG1 1 94 VAL HA . . 4.420 4.021 3.591 4.209 . 0 0 "[ . 1 . 2]" 1
555 1 17 VAL MG1 1 97 ALA H . . 4.290 4.398 4.392 4.413 0.123 2 0 "[ . 1 . 2]" 1
556 1 17 VAL MG2 1 18 SER H . . 4.220 3.787 3.639 3.965 . 0 0 "[ . 1 . 2]" 1
557 1 17 VAL MG2 1 89 PHE QD . . 3.550 3.532 3.152 3.654 0.104 16 0 "[ . 1 . 2]" 1
558 1 17 VAL MG2 1 92 GLY H . . 4.900 4.621 4.181 4.977 0.077 12 0 "[ . 1 . 2]" 1
559 1 17 VAL MG2 1 93 THR HA . . 4.200 2.773 2.313 2.952 . 0 0 "[ . 1 . 2]" 1
560 1 17 VAL MG2 1 94 VAL HA . . 2.970 2.020 1.954 2.160 . 0 0 "[ . 1 . 2]" 1
561 1 17 VAL MG2 1 97 ALA H . . 4.950 2.916 2.670 3.058 . 0 0 "[ . 1 . 2]" 1
562 1 17 VAL MG2 1 97 ALA MB . . 3.490 2.177 1.981 2.290 . 0 0 "[ . 1 . 2]" 1
563 1 17 VAL MG2 1 98 ILE H . . 5.500 4.934 4.732 5.161 . 0 0 "[ . 1 . 2]" 1
564 1 18 SER H 1 18 SER HB2 . . 3.390 2.508 2.307 2.682 . 0 0 "[ . 1 . 2]" 1
565 1 18 SER H 1 18 SER HB3 . . 3.410 2.582 2.305 2.797 . 0 0 "[ . 1 . 2]" 1
566 1 18 SER H 1 19 ASP H . . 5.500 4.562 4.404 4.741 . 0 0 "[ . 1 . 2]" 1
567 1 18 SER H 1 20 ARG H . . 5.500 4.557 4.437 4.819 . 0 0 "[ . 1 . 2]" 1
568 1 18 SER HA 1 19 ASP H . . 2.990 2.242 2.112 2.386 . 0 0 "[ . 1 . 2]" 1
569 1 18 SER HA 1 19 ASP HA . . 4.230 4.307 4.280 4.319 0.089 1 0 "[ . 1 . 2]" 1
570 1 18 SER HA 1 19 ASP QB . . 5.210 4.346 3.848 4.746 . 0 0 "[ . 1 . 2]" 1
571 1 18 SER HA 1 20 ARG H . . 4.260 4.197 3.972 4.334 0.074 19 0 "[ . 1 . 2]" 1
572 1 18 SER HB2 1 20 ARG H . . 4.660 4.679 4.509 4.739 0.079 20 0 "[ . 1 . 2]" 1
573 1 18 SER HB2 1 24 ALA MB . . 4.360 3.063 2.648 3.971 . 0 0 "[ . 1 . 2]" 1
574 1 18 SER HB3 1 19 ASP H . . 5.280 3.972 3.595 4.160 . 0 0 "[ . 1 . 2]" 1
575 1 18 SER HB3 1 20 ARG H . . 4.500 3.184 3.039 3.281 . 0 0 "[ . 1 . 2]" 1
576 1 18 SER HB3 1 24 ALA MB . . 3.620 2.480 2.155 3.068 . 0 0 "[ . 1 . 2]" 1
577 1 19 ASP H 1 19 ASP QB . . 3.900 2.340 1.940 2.742 . 0 0 "[ . 1 . 2]" 1
578 1 19 ASP H 1 20 ARG H . . 3.970 3.272 2.919 3.410 . 0 0 "[ . 1 . 2]" 1
579 1 19 ASP H 1 20 ARG HD2 . . 5.030 4.780 4.246 5.084 0.054 19 0 "[ . 1 . 2]" 1
580 1 19 ASP HA 1 69 SER HB3 . . 3.600 3.551 2.446 4.431 0.831 5 1 "[ + 1 . 2]" 1
581 1 19 ASP HA 1 70 ASN H . . 5.490 4.352 3.807 5.084 . 0 0 "[ . 1 . 2]" 1
582 1 19 ASP QB 1 20 ARG H . . 5.420 3.850 3.721 3.923 . 0 0 "[ . 1 . 2]" 1
583 1 19 ASP QB 1 20 ARG QB . . 5.050 4.106 3.603 4.461 . 0 0 "[ . 1 . 2]" 1
584 1 19 ASP QB 1 20 ARG QG . . 3.230 2.913 2.432 3.233 0.003 14 0 "[ . 1 . 2]" 1
585 1 20 ARG H 1 24 ALA HA . . 5.500 5.424 4.689 5.576 0.076 10 0 "[ . 1 . 2]" 1
586 1 20 ARG H 1 24 ALA MB . . 5.500 4.154 3.691 4.809 . 0 0 "[ . 1 . 2]" 1
587 1 20 ARG HA 1 20 ARG HD3 . . 5.280 4.647 4.477 4.852 . 0 0 "[ . 1 . 2]" 1
588 1 20 ARG HA 1 21 PHE H . . 3.590 2.341 2.194 2.501 . 0 0 "[ . 1 . 2]" 1
589 1 20 ARG HA 1 22 ALA H . . 4.300 4.135 3.544 4.374 0.074 11 0 "[ . 1 . 2]" 1
590 1 20 ARG HA 1 23 ARG H . . 4.510 4.388 4.108 4.580 0.070 19 0 "[ . 1 . 2]" 1
591 1 20 ARG HA 1 70 ASN H . . 3.930 3.799 3.493 4.013 0.083 19 0 "[ . 1 . 2]" 1
592 1 20 ARG HA 1 70 ASN HB2 . . 4.530 4.110 2.964 4.614 0.084 6 0 "[ . 1 . 2]" 1
593 1 20 ARG HA 1 70 ASN HB3 . . 4.090 3.267 2.689 4.593 0.503 10 1 "[ . + . 2]" 1
594 1 20 ARG HA 1 71 VAL H . . 4.410 4.112 3.625 4.484 0.074 20 0 "[ . 1 . 2]" 1
595 1 20 ARG HA 1 71 VAL MG2 . . 4.900 4.745 4.384 4.988 0.088 6 0 "[ . 1 . 2]" 1
596 1 20 ARG HA 1 72 GLY H . . 4.030 3.882 3.243 4.106 0.076 6 0 "[ . 1 . 2]" 1
597 1 20 ARG QB 1 20 ARG HD3 . . 3.920 2.275 2.136 2.555 . 0 0 "[ . 1 . 2]" 1
598 1 20 ARG QB 1 21 PHE H . . 4.610 3.731 3.459 3.927 . 0 0 "[ . 1 . 2]" 1
599 1 20 ARG QB 1 23 ARG H . . 4.590 2.629 2.229 3.135 . 0 0 "[ . 1 . 2]" 1
600 1 20 ARG QB 1 23 ARG HA . . 5.500 4.423 4.075 4.699 . 0 0 "[ . 1 . 2]" 1
601 1 20 ARG QB 1 23 ARG QB . . 4.920 2.175 1.966 3.413 . 0 0 "[ . 1 . 2]" 1
602 1 20 ARG QB 1 24 ALA H . . 5.340 4.904 4.351 5.187 . 0 0 "[ . 1 . 2]" 1
603 1 20 ARG QB 1 24 ALA HA . . 5.130 4.888 3.944 5.039 . 0 0 "[ . 1 . 2]" 1
604 1 20 ARG QB 1 24 ALA MB . . 5.380 4.436 3.887 5.002 . 0 0 "[ . 1 . 2]" 1
605 1 20 ARG QB 1 72 GLY QA . . 3.830 2.844 2.139 3.414 . 0 0 "[ . 1 . 2]" 1
606 1 20 ARG HD2 1 23 ARG QB . . 4.230 2.614 2.016 3.524 . 0 0 "[ . 1 . 2]" 1
607 1 20 ARG HD2 1 23 ARG QG . . 5.310 4.269 2.247 5.087 . 0 0 "[ . 1 . 2]" 1
608 1 20 ARG HD2 1 24 ALA HA . . 5.130 4.806 4.122 5.214 0.084 19 0 "[ . 1 . 2]" 1
609 1 20 ARG HD3 1 23 ARG H . . 4.540 4.506 4.072 4.625 0.085 6 0 "[ . 1 . 2]" 1
610 1 20 ARG HD3 1 23 ARG QB . . 4.080 2.284 1.940 3.894 . 0 0 "[ . 1 . 2]" 1
611 1 20 ARG HD3 1 23 ARG QG . . 4.760 3.503 2.037 4.378 . 0 0 "[ . 1 . 2]" 1
612 1 21 PHE H 1 22 ALA H . . 4.890 3.053 2.820 3.387 . 0 0 "[ . 1 . 2]" 1
613 1 21 PHE H 1 23 ARG H . . 5.060 4.304 4.116 4.425 . 0 0 "[ . 1 . 2]" 1
614 1 21 PHE H 1 79 LEU MD1 . . 5.500 5.609 5.596 5.621 0.121 17 0 "[ . 1 . 2]" 1
615 1 21 PHE HA 1 24 ALA H . . 4.830 4.834 4.380 4.922 0.092 15 0 "[ . 1 . 2]" 1
616 1 21 PHE HA 1 24 ALA MB . . 4.140 3.049 2.806 3.224 . 0 0 "[ . 1 . 2]" 1
617 1 21 PHE HA 1 66 LEU MD1 . . 4.530 3.635 3.234 4.134 . 0 0 "[ . 1 . 2]" 1
618 1 21 PHE HB2 1 22 ALA H . . 4.080 3.873 3.543 4.175 0.095 16 0 "[ . 1 . 2]" 1
619 1 21 PHE HB2 1 22 ALA MB . . 5.500 5.104 4.783 5.292 . 0 0 "[ . 1 . 2]" 1
620 1 21 PHE HB2 1 66 LEU MD2 . . 4.410 2.465 2.201 2.666 . 0 0 "[ . 1 . 2]" 1
621 1 21 PHE HB2 1 66 LEU HG . . 5.450 4.303 3.989 4.802 . 0 0 "[ . 1 . 2]" 1
622 1 21 PHE HB2 1 68 ALA MB . . 3.520 2.112 1.934 2.751 . 0 0 "[ . 1 . 2]" 1
623 1 21 PHE HB2 1 70 ASN H . . 5.500 4.695 4.312 5.154 . 0 0 "[ . 1 . 2]" 1
624 1 21 PHE HB2 1 71 VAL HA . . 4.000 3.635 2.720 4.039 0.039 3 0 "[ . 1 . 2]" 1
625 1 21 PHE HB2 1 71 VAL MG1 . . 5.500 5.408 3.108 5.605 0.105 10 0 "[ . 1 . 2]" 1
626 1 21 PHE HB2 1 71 VAL MG2 . . 4.570 3.554 2.717 5.416 0.846 12 1 "[ . 1 + . 2]" 1
627 1 21 PHE HB3 1 22 ALA H . . 3.730 2.470 1.981 3.087 . 0 0 "[ . 1 . 2]" 1
628 1 21 PHE HB3 1 22 ALA MB . . 5.500 3.773 3.334 3.966 . 0 0 "[ . 1 . 2]" 1
629 1 21 PHE HB3 1 23 ARG H . . 5.390 4.850 4.602 5.197 . 0 0 "[ . 1 . 2]" 1
630 1 21 PHE HB3 1 68 ALA MB . . 5.500 3.277 2.798 4.045 . 0 0 "[ . 1 . 2]" 1
631 1 21 PHE HB3 1 71 VAL HA . . 3.930 2.419 2.082 2.703 . 0 0 "[ . 1 . 2]" 1
632 1 21 PHE HB3 1 71 VAL MG1 . . 5.500 4.258 2.060 4.460 . 0 0 "[ . 1 . 2]" 1
633 1 21 PHE HB3 1 71 VAL MG2 . . 5.350 2.168 1.985 4.051 . 0 0 "[ . 1 . 2]" 1
634 1 21 PHE QD 1 22 ALA H . . 4.780 3.350 2.678 4.198 . 0 0 "[ . 1 . 2]" 1
635 1 21 PHE QD 1 22 ALA MB . . 4.300 3.175 2.444 3.866 . 0 0 "[ . 1 . 2]" 1
636 1 21 PHE QD 1 24 ALA MB . . 4.870 3.879 3.677 4.120 . 0 0 "[ . 1 . 2]" 1
637 1 21 PHE QD 1 55 VAL MG2 . . 4.480 4.069 3.713 4.380 . 0 0 "[ . 1 . 2]" 1
638 1 21 PHE QD 1 66 LEU MD1 . . 4.030 2.396 2.086 3.512 . 0 0 "[ . 1 . 2]" 1
639 1 21 PHE QD 1 66 LEU MD2 . . 3.970 2.866 2.668 3.209 . 0 0 "[ . 1 . 2]" 1
640 1 21 PHE QD 1 68 ALA MB . . 4.280 3.361 3.171 4.099 . 0 0 "[ . 1 . 2]" 1
641 1 21 PHE QD 1 71 VAL HA . . 4.140 4.027 3.777 4.215 0.075 9 0 "[ . 1 . 2]" 1
642 1 21 PHE QD 1 71 VAL MG1 . . 4.300 4.315 2.394 4.438 0.138 20 0 "[ . 1 . 2]" 1
643 1 21 PHE QD 1 71 VAL MG2 . . 4.240 2.108 1.913 3.483 . 0 0 "[ . 1 . 2]" 1
644 1 21 PHE QD 1 75 ALA MB . . 3.670 2.521 2.055 2.820 . 0 0 "[ . 1 . 2]" 1
645 1 21 PHE QE 1 24 ALA MB . . 4.730 4.843 4.809 4.862 0.132 16 0 "[ . 1 . 2]" 1
646 1 21 PHE QE 1 54 VAL MG2 . . 3.990 2.833 2.426 3.344 . 0 0 "[ . 1 . 2]" 1
647 1 21 PHE QE 1 55 VAL H . . 5.500 4.486 4.099 4.868 . 0 0 "[ . 1 . 2]" 1
648 1 21 PHE QE 1 55 VAL MG1 . . 4.440 3.249 2.643 4.081 . 0 0 "[ . 1 . 2]" 1
649 1 21 PHE QE 1 55 VAL MG2 . . 3.380 2.246 2.049 2.630 . 0 0 "[ . 1 . 2]" 1
650 1 21 PHE QE 1 58 LEU MD1 . . 3.550 2.115 2.042 2.254 . 0 0 "[ . 1 . 2]" 1
651 1 21 PHE QE 1 66 LEU MD1 . . 3.350 3.140 2.805 3.458 0.108 6 0 "[ . 1 . 2]" 1
652 1 21 PHE QE 1 66 LEU MD2 . . 3.690 3.208 3.004 3.581 . 0 0 "[ . 1 . 2]" 1
653 1 21 PHE QE 1 71 VAL MG2 . . 4.600 3.855 3.686 4.728 0.128 12 0 "[ . 1 . 2]" 1
654 1 21 PHE QE 1 75 ALA HA . . 4.380 4.375 3.983 4.459 0.079 10 0 "[ . 1 . 2]" 1
655 1 21 PHE QE 1 75 ALA MB . . 3.670 2.195 2.080 2.539 . 0 0 "[ . 1 . 2]" 1
656 1 21 PHE QE 1 79 LEU MD1 . . 4.190 2.626 2.356 3.084 . 0 0 "[ . 1 . 2]" 1
657 1 21 PHE QE 1 79 LEU HG . . 5.240 2.805 2.389 3.540 . 0 0 "[ . 1 . 2]" 1
658 1 21 PHE HZ 1 54 VAL MG1 . . 5.500 3.699 2.613 4.482 . 0 0 "[ . 1 . 2]" 1
659 1 21 PHE HZ 1 54 VAL MG2 . . 3.380 2.577 2.082 3.198 . 0 0 "[ . 1 . 2]" 1
660 1 21 PHE HZ 1 55 VAL H . . 5.020 4.110 3.781 4.563 . 0 0 "[ . 1 . 2]" 1
661 1 21 PHE HZ 1 55 VAL HA . . 4.060 3.212 2.892 3.717 . 0 0 "[ . 1 . 2]" 1
662 1 21 PHE HZ 1 55 VAL MG2 . . 3.400 2.526 2.180 2.915 . 0 0 "[ . 1 . 2]" 1
663 1 21 PHE HZ 1 58 LEU QB . . 5.500 3.813 3.589 4.170 . 0 0 "[ . 1 . 2]" 1
664 1 21 PHE HZ 1 58 LEU MD1 . . 3.560 2.247 2.111 2.636 . 0 0 "[ . 1 . 2]" 1
665 1 21 PHE HZ 1 66 LEU MD2 . . 4.680 3.730 3.354 4.161 . 0 0 "[ . 1 . 2]" 1
666 1 21 PHE HZ 1 79 LEU MD1 . . 4.280 4.084 3.757 4.328 0.048 17 0 "[ . 1 . 2]" 1
667 1 21 PHE HZ 1 79 LEU MD2 . . 4.210 2.697 2.441 2.964 . 0 0 "[ . 1 . 2]" 1
668 1 22 ALA H 1 23 ARG H . . 4.120 2.887 2.387 3.095 . 0 0 "[ . 1 . 2]" 1
669 1 22 ALA H 1 23 ARG QB . . 4.900 4.462 3.952 4.790 . 0 0 "[ . 1 . 2]" 1
670 1 22 ALA H 1 23 ARG QG . . 5.500 5.172 3.619 5.324 . 0 0 "[ . 1 . 2]" 1
671 1 22 ALA H 1 24 ALA H . . 5.500 5.194 4.693 5.574 0.074 7 0 "[ . 1 . 2]" 1
672 1 22 ALA H 1 75 ALA MB . . 5.500 3.915 3.420 4.672 . 0 0 "[ . 1 . 2]" 1
673 1 22 ALA HA 1 23 ARG QB . . 5.500 5.065 4.826 5.273 . 0 0 "[ . 1 . 2]" 1
674 1 22 ALA HA 1 24 ALA H . . 4.650 4.042 3.544 4.421 . 0 0 "[ . 1 . 2]" 1
675 1 22 ALA HA 1 54 VAL MG1 . . 3.830 2.563 2.089 3.223 . 0 0 "[ . 1 . 2]" 1
676 1 22 ALA HA 1 58 LEU MD1 . . 5.500 5.577 5.366 5.610 0.110 16 0 "[ . 1 . 2]" 1
677 1 22 ALA MB 1 23 ARG QB . . 4.580 4.047 3.564 4.475 . 0 0 "[ . 1 . 2]" 1
678 1 22 ALA MB 1 71 VAL MG1 . . 5.240 3.898 3.586 4.446 . 0 0 "[ . 1 . 2]" 1
679 1 22 ALA MB 1 72 GLY QA . . 4.080 2.448 2.043 3.042 . 0 0 "[ . 1 . 2]" 1
680 1 23 ARG H 1 23 ARG QB . . 3.360 2.505 2.245 2.958 . 0 0 "[ . 1 . 2]" 1
681 1 23 ARG H 1 23 ARG QD . . 5.500 4.645 4.305 5.046 . 0 0 "[ . 1 . 2]" 1
682 1 23 ARG H 1 23 ARG QG . . 4.290 3.606 2.312 3.979 . 0 0 "[ . 1 . 2]" 1
683 1 23 ARG H 1 24 ALA H . . 3.500 2.921 2.386 3.546 0.046 8 0 "[ . 1 . 2]" 1
684 1 23 ARG H 1 24 ALA HA . . 5.340 4.383 4.052 5.009 . 0 0 "[ . 1 . 2]" 1
685 1 23 ARG H 1 24 ALA MB . . 5.500 3.609 3.239 4.167 . 0 0 "[ . 1 . 2]" 1
686 1 23 ARG HA 1 23 ARG QD . . 4.110 2.987 2.011 4.206 0.096 16 0 "[ . 1 . 2]" 1
687 1 23 ARG HA 1 23 ARG QG . . 3.470 2.398 2.059 3.252 . 0 0 "[ . 1 . 2]" 1
688 1 23 ARG HA 1 44 ILE MG . . 4.650 4.099 2.669 4.750 0.100 18 0 "[ . 1 . 2]" 1
689 1 23 ARG QB 1 24 ALA H . . 4.910 3.935 3.720 4.045 . 0 0 "[ . 1 . 2]" 1
690 1 23 ARG QB 1 24 ALA HA . . 4.270 4.164 4.095 4.238 . 0 0 "[ . 1 . 2]" 1
691 1 23 ARG QB 1 72 GLY QA . . 3.560 2.818 2.142 3.507 . 0 0 "[ . 1 . 2]" 1
692 1 23 ARG QG 1 24 ALA H . . 5.500 4.685 4.404 5.009 . 0 0 "[ . 1 . 2]" 1
693 1 23 ARG QG 1 72 GLY QA . . 4.200 2.969 2.157 3.615 . 0 0 "[ . 1 . 2]" 1
694 1 24 ALA H 1 24 ALA MB . . 3.190 2.534 2.348 2.669 . 0 0 "[ . 1 . 2]" 1
695 1 24 ALA H 1 25 GLU H . . 5.390 4.321 4.005 4.505 . 0 0 "[ . 1 . 2]" 1
696 1 24 ALA H 1 44 ILE H . . 5.130 5.204 5.092 5.224 0.094 7 0 "[ . 1 . 2]" 1
697 1 24 ALA H 1 44 ILE HG13 . . 5.500 3.362 2.506 5.271 . 0 0 "[ . 1 . 2]" 1
698 1 24 ALA HA 1 25 GLU H . . 2.870 2.466 2.148 2.838 . 0 0 "[ . 1 . 2]" 1
699 1 24 ALA HA 1 25 GLU HB2 . . 4.290 4.351 4.192 4.378 0.088 19 0 "[ . 1 . 2]" 1
700 1 24 ALA HA 1 25 GLU QG . . 4.410 3.797 3.389 4.290 . 0 0 "[ . 1 . 2]" 1
701 1 24 ALA HA 1 26 TYR H . . 4.590 4.332 3.943 4.677 0.087 17 0 "[ . 1 . 2]" 1
702 1 24 ALA MB 1 25 GLU H . . 4.060 2.776 2.352 3.352 . 0 0 "[ . 1 . 2]" 1
703 1 24 ALA MB 1 25 GLU HA . . 5.500 4.357 3.961 4.748 . 0 0 "[ . 1 . 2]" 1
704 1 24 ALA MB 1 26 TYR H . . 4.290 3.098 2.725 3.943 . 0 0 "[ . 1 . 2]" 1
705 1 24 ALA MB 1 27 PHE QE . . 3.710 2.481 2.164 2.889 . 0 0 "[ . 1 . 2]" 1
706 1 24 ALA MB 1 27 PHE HZ . . 4.020 2.644 2.209 3.185 . 0 0 "[ . 1 . 2]" 1
707 1 25 GLU H 1 25 GLU HB2 . . 3.310 2.321 2.108 2.595 . 0 0 "[ . 1 . 2]" 1
708 1 25 GLU H 1 25 GLU HB3 . . 4.120 3.555 3.444 3.687 . 0 0 "[ . 1 . 2]" 1
709 1 25 GLU H 1 25 GLU QG . . 4.090 2.892 2.175 3.580 . 0 0 "[ . 1 . 2]" 1
710 1 25 GLU H 1 26 TYR H . . 3.660 2.394 1.840 3.077 . 0 0 "[ . 1 . 2]" 1
711 1 25 GLU H 1 26 TYR QD . . 5.500 3.917 3.398 4.446 . 0 0 "[ . 1 . 2]" 1
712 1 25 GLU HA 1 25 GLU HB3 . . 2.790 2.624 2.562 2.736 . 0 0 "[ . 1 . 2]" 1
713 1 25 GLU HA 1 25 GLU QG . . 3.220 2.136 1.945 2.340 . 0 0 "[ . 1 . 2]" 1
714 1 25 GLU HA 1 26 TYR HA . . 5.100 4.508 4.352 4.633 . 0 0 "[ . 1 . 2]" 1
715 1 25 GLU HA 1 42 ASN H . . 4.760 3.630 3.358 3.758 . 0 0 "[ . 1 . 2]" 1
716 1 25 GLU HA 1 42 ASN HB3 . . 4.230 3.964 3.432 4.303 0.073 10 0 "[ . 1 . 2]" 1
717 1 25 GLU HA 1 43 THR HA . . 4.010 3.854 3.227 4.085 0.075 10 0 "[ . 1 . 2]" 1
718 1 25 GLU HA 1 44 ILE MD . . 5.360 3.574 2.817 4.436 . 0 0 "[ . 1 . 2]" 1
719 1 25 GLU HB2 1 26 TYR H . . 3.730 3.309 2.601 3.778 0.048 1 0 "[ . 1 . 2]" 1
720 1 25 GLU HB2 1 26 TYR QD . . 3.690 2.718 2.413 3.055 . 0 0 "[ . 1 . 2]" 1
721 1 25 GLU HB2 1 26 TYR QE . . 3.890 3.636 2.826 3.972 0.082 12 0 "[ . 1 . 2]" 1
722 1 25 GLU HB3 1 26 TYR H . . 4.240 3.877 2.845 4.080 . 0 0 "[ . 1 . 2]" 1
723 1 25 GLU HB3 1 26 TYR HA . . 5.150 4.785 4.055 5.013 . 0 0 "[ . 1 . 2]" 1
724 1 25 GLU HB3 1 26 TYR QD . . 3.960 2.874 2.501 3.135 . 0 0 "[ . 1 . 2]" 1
725 1 25 GLU QG 1 26 TYR H . . 5.500 4.474 4.133 4.671 . 0 0 "[ . 1 . 2]" 1
726 1 25 GLU QG 1 44 ILE MD . . 4.670 4.324 3.546 4.624 . 0 0 "[ . 1 . 2]" 1
727 1 25 GLU QG 1 44 ILE HG13 . . 5.500 5.376 4.799 6.472 0.972 18 4 "[ * .* 1 . +-2]" 1
728 1 26 TYR H 1 26 TYR HB2 . . 3.740 2.649 2.400 2.804 . 0 0 "[ . 1 . 2]" 1
729 1 26 TYR H 1 26 TYR HB3 . . 3.950 3.747 3.592 3.871 . 0 0 "[ . 1 . 2]" 1
730 1 26 TYR H 1 26 TYR QD . . 4.110 3.056 2.391 3.339 . 0 0 "[ . 1 . 2]" 1
731 1 26 TYR H 1 27 PHE H . . 5.330 4.246 4.067 4.509 . 0 0 "[ . 1 . 2]" 1
732 1 26 TYR H 1 28 ILE MD . . 5.500 4.962 4.227 5.586 0.086 13 0 "[ . 1 . 2]" 1
733 1 26 TYR H 1 39 VAL MG1 . . 5.500 5.603 5.561 5.634 0.134 17 0 "[ . 1 . 2]" 1
734 1 26 TYR H 1 40 VAL MG1 . . 5.500 5.587 5.521 5.606 0.106 1 0 "[ . 1 . 2]" 1
735 1 26 TYR H 1 42 ASN HB3 . . 5.500 5.239 4.568 5.582 0.082 13 0 "[ . 1 . 2]" 1
736 1 26 TYR HA 1 26 TYR QD . . 3.670 3.035 2.855 3.279 . 0 0 "[ . 1 . 2]" 1
737 1 26 TYR HA 1 27 PHE H . . 2.950 2.328 2.186 2.466 . 0 0 "[ . 1 . 2]" 1
738 1 26 TYR HA 1 39 VAL MG1 . . 4.390 3.905 3.768 4.018 . 0 0 "[ . 1 . 2]" 1
739 1 26 TYR HA 1 40 VAL H . . 5.500 4.822 4.515 4.956 . 0 0 "[ . 1 . 2]" 1
740 1 26 TYR HA 1 40 VAL HB . . 4.830 4.691 4.100 4.901 0.071 6 0 "[ . 1 . 2]" 1
741 1 26 TYR HA 1 40 VAL MG1 . . 5.290 3.570 3.259 3.717 . 0 0 "[ . 1 . 2]" 1
742 1 26 TYR HA 1 41 GLU H . . 4.960 4.679 4.356 4.942 . 0 0 "[ . 1 . 2]" 1
743 1 26 TYR HA 1 41 GLU HA . . 3.510 2.535 2.146 3.066 . 0 0 "[ . 1 . 2]" 1
744 1 26 TYR HA 1 42 ASN H . . 3.450 2.914 2.582 3.255 . 0 0 "[ . 1 . 2]" 1
745 1 26 TYR HA 1 42 ASN HB2 . . 5.150 4.052 3.055 4.641 . 0 0 "[ . 1 . 2]" 1
746 1 26 TYR HA 1 42 ASN HB3 . . 4.630 4.601 4.188 4.723 0.093 8 0 "[ . 1 . 2]" 1
747 1 26 TYR HB2 1 27 PHE H . . 3.990 3.909 3.673 4.076 0.086 4 0 "[ . 1 . 2]" 1
748 1 26 TYR HB2 1 39 VAL MG1 . . 4.710 3.871 3.671 4.014 . 0 0 "[ . 1 . 2]" 1
749 1 26 TYR HB3 1 27 PHE H . . 3.690 2.842 2.628 3.193 . 0 0 "[ . 1 . 2]" 1
750 1 26 TYR HB3 1 28 ILE MD . . 4.230 2.579 2.180 2.935 . 0 0 "[ . 1 . 2]" 1
751 1 26 TYR HB3 1 28 ILE HG12 . . 4.950 4.476 4.049 5.353 0.403 8 0 "[ . 1 . 2]" 1
752 1 26 TYR HB3 1 28 ILE HG13 . . 5.470 5.030 4.395 5.520 0.050 13 0 "[ . 1 . 2]" 1
753 1 26 TYR HB3 1 39 VAL MG1 . . 4.070 2.484 2.332 2.624 . 0 0 "[ . 1 . 2]" 1
754 1 26 TYR HB3 1 41 GLU HA . . 4.550 4.002 3.570 4.486 . 0 0 "[ . 1 . 2]" 1
755 1 26 TYR QD 1 27 PHE H . . 4.970 4.016 3.696 4.320 . 0 0 "[ . 1 . 2]" 1
756 1 26 TYR QD 1 39 VAL MG1 . . 3.370 2.237 2.004 2.521 . 0 0 "[ . 1 . 2]" 1
757 1 26 TYR QD 1 40 VAL H . . 5.500 5.030 4.667 5.545 0.045 19 0 "[ . 1 . 2]" 1
758 1 26 TYR QD 1 41 GLU H . . 5.410 4.631 4.190 5.024 . 0 0 "[ . 1 . 2]" 1
759 1 26 TYR QD 1 41 GLU HA . . 3.130 2.657 2.419 2.984 . 0 0 "[ . 1 . 2]" 1
760 1 26 TYR QD 1 41 GLU QB . . 4.020 3.212 2.870 3.718 . 0 0 "[ . 1 . 2]" 1
761 1 26 TYR QD 1 41 GLU HG3 . . 4.280 3.678 2.865 4.206 . 0 0 "[ . 1 . 2]" 1
762 1 26 TYR QD 1 42 ASN H . . 4.710 4.348 4.075 4.730 0.020 10 0 "[ . 1 . 2]" 1
763 1 26 TYR QE 1 39 VAL MG1 . . 3.820 3.587 3.168 3.930 0.110 19 0 "[ . 1 . 2]" 1
764 1 26 TYR QE 1 41 GLU QB . . 3.800 3.127 2.311 3.669 . 0 0 "[ . 1 . 2]" 1
765 1 26 TYR QE 1 41 GLU HG2 . . 4.710 4.440 3.951 4.789 0.079 10 0 "[ . 1 . 2]" 1
766 1 26 TYR QE 1 41 GLU HG3 . . 4.250 2.846 2.287 3.232 . 0 0 "[ . 1 . 2]" 1
767 1 27 PHE H 1 27 PHE HB2 . . 3.400 2.715 2.560 2.876 . 0 0 "[ . 1 . 2]" 1
768 1 27 PHE H 1 27 PHE QD . . 4.260 3.526 3.115 3.813 . 0 0 "[ . 1 . 2]" 1
769 1 27 PHE H 1 39 VAL MG1 . . 5.470 3.448 3.174 3.785 . 0 0 "[ . 1 . 2]" 1
770 1 27 PHE H 1 40 VAL H . . 3.870 2.906 2.737 3.022 . 0 0 "[ . 1 . 2]" 1
771 1 27 PHE H 1 40 VAL HB . . 3.960 2.906 2.316 3.166 . 0 0 "[ . 1 . 2]" 1
772 1 27 PHE H 1 40 VAL MG1 . . 5.090 3.074 2.793 3.302 . 0 0 "[ . 1 . 2]" 1
773 1 27 PHE H 1 41 GLU HA . . 4.500 3.978 3.757 4.552 0.052 17 0 "[ . 1 . 2]" 1
774 1 27 PHE H 1 42 ASN H . . 5.280 4.770 4.419 5.209 . 0 0 "[ . 1 . 2]" 1
775 1 27 PHE H 1 42 ASN HB2 . . 5.500 4.681 4.119 5.199 . 0 0 "[ . 1 . 2]" 1
776 1 27 PHE HA 1 27 PHE QD . . 3.610 2.504 2.131 2.877 . 0 0 "[ . 1 . 2]" 1
777 1 27 PHE HA 1 28 ILE H . . 2.760 2.102 2.062 2.188 . 0 0 "[ . 1 . 2]" 1
778 1 27 PHE HB2 1 28 ILE H . . 4.840 4.414 4.256 4.539 . 0 0 "[ . 1 . 2]" 1
779 1 27 PHE HB2 1 29 ILE MD . . 4.090 3.783 2.925 4.178 0.088 2 0 "[ . 1 . 2]" 1
780 1 27 PHE HB2 1 40 VAL H . . 4.790 3.657 3.535 3.778 . 0 0 "[ . 1 . 2]" 1
781 1 27 PHE HB2 1 40 VAL HB . . 3.370 2.082 1.984 2.171 . 0 0 "[ . 1 . 2]" 1
782 1 27 PHE HB2 1 40 VAL MG1 . . 4.440 2.422 2.119 2.790 . 0 0 "[ . 1 . 2]" 1
783 1 27 PHE HB2 1 40 VAL MG2 . . 4.370 3.392 2.831 3.545 . 0 0 "[ . 1 . 2]" 1
784 1 27 PHE HB2 1 41 GLU H . . 5.500 5.554 5.336 5.583 0.083 17 0 "[ . 1 . 2]" 1
785 1 27 PHE HB2 1 58 LEU MD2 . . 3.910 2.325 2.090 2.535 . 0 0 "[ . 1 . 2]" 1
786 1 27 PHE HB2 1 58 LEU HG . . 4.740 4.605 4.341 4.800 0.060 16 0 "[ . 1 . 2]" 1
787 1 27 PHE HB3 1 28 ILE H . . 3.930 3.638 3.316 3.979 0.049 17 0 "[ . 1 . 2]" 1
788 1 27 PHE HB3 1 29 ILE H . . 5.500 5.291 4.698 5.556 0.056 18 0 "[ . 1 . 2]" 1
789 1 27 PHE HB3 1 29 ILE HG12 . . 4.790 3.824 3.186 4.549 . 0 0 "[ . 1 . 2]" 1
790 1 27 PHE HB3 1 40 VAL H . . 5.080 4.568 4.226 4.864 . 0 0 "[ . 1 . 2]" 1
791 1 27 PHE HB3 1 40 VAL HB . . 3.940 3.401 3.058 3.646 . 0 0 "[ . 1 . 2]" 1
792 1 27 PHE HB3 1 58 LEU MD1 . . 5.500 3.135 2.786 3.578 . 0 0 "[ . 1 . 2]" 1
793 1 27 PHE HB3 1 58 LEU MD2 . . 3.910 2.261 2.026 2.381 . 0 0 "[ . 1 . 2]" 1
794 1 27 PHE QD 1 28 ILE H . . 5.200 3.972 3.578 4.447 . 0 0 "[ . 1 . 2]" 1
795 1 27 PHE QD 1 40 VAL HB . . 4.310 3.657 3.177 3.962 . 0 0 "[ . 1 . 2]" 1
796 1 27 PHE QD 1 40 VAL MG1 . . 3.800 2.270 2.024 2.631 . 0 0 "[ . 1 . 2]" 1
797 1 27 PHE QD 1 42 ASN H . . 5.500 4.468 3.812 5.135 . 0 0 "[ . 1 . 2]" 1
798 1 27 PHE QD 1 42 ASN HB2 . . 3.950 2.381 2.117 2.759 . 0 0 "[ . 1 . 2]" 1
799 1 27 PHE QD 1 58 LEU MD1 . . 4.220 2.955 2.457 3.225 . 0 0 "[ . 1 . 2]" 1
800 1 27 PHE QD 1 58 LEU MD2 . . 4.040 2.934 2.276 3.362 . 0 0 "[ . 1 . 2]" 1
801 1 27 PHE QD 1 66 LEU MD1 . . 5.220 3.865 3.502 4.339 . 0 0 "[ . 1 . 2]" 1
802 1 27 PHE QE 1 42 ASN HA . . 5.380 5.042 4.761 5.463 0.083 5 0 "[ . 1 . 2]" 1
803 1 27 PHE QE 1 42 ASN HB2 . . 3.850 2.991 2.499 3.526 . 0 0 "[ . 1 . 2]" 1
804 1 27 PHE QE 1 42 ASN HB3 . . 5.260 2.327 2.043 3.053 . 0 0 "[ . 1 . 2]" 1
805 1 27 PHE QE 1 54 VAL MG2 . . 3.710 2.448 2.064 2.727 . 0 0 "[ . 1 . 2]" 1
806 1 27 PHE QE 1 58 LEU MD1 . . 4.420 3.355 2.939 3.660 . 0 0 "[ . 1 . 2]" 1
807 1 27 PHE QE 1 66 LEU MD1 . . 4.140 3.720 2.569 4.239 0.099 19 0 "[ . 1 . 2]" 1
808 1 28 ILE H 1 28 ILE HB . . 3.220 2.499 2.272 2.741 . 0 0 "[ . 1 . 2]" 1
809 1 28 ILE H 1 28 ILE MD . . 4.920 2.790 2.113 3.321 . 0 0 "[ . 1 . 2]" 1
810 1 28 ILE H 1 28 ILE HG12 . . 4.300 2.698 2.120 3.858 . 0 0 "[ . 1 . 2]" 1
811 1 28 ILE H 1 28 ILE HG13 . . 4.320 3.843 3.612 4.172 . 0 0 "[ . 1 . 2]" 1
812 1 28 ILE H 1 40 VAL HB . . 5.230 5.264 5.090 5.308 0.078 17 0 "[ . 1 . 2]" 1
813 1 28 ILE HA 1 28 ILE MD . . 3.560 2.368 2.137 2.769 . 0 0 "[ . 1 . 2]" 1
814 1 28 ILE HA 1 28 ILE HG12 . . 4.090 3.550 3.371 3.811 . 0 0 "[ . 1 . 2]" 1
815 1 28 ILE HA 1 28 ILE HG13 . . 4.120 3.525 2.554 3.877 . 0 0 "[ . 1 . 2]" 1
816 1 28 ILE HA 1 28 ILE MG . . 3.300 2.304 2.167 2.527 . 0 0 "[ . 1 . 2]" 1
817 1 28 ILE HA 1 29 ILE H . . 3.090 2.148 2.050 2.241 . 0 0 "[ . 1 . 2]" 1
818 1 28 ILE HA 1 29 ILE HG13 . . 4.340 3.822 3.382 4.309 . 0 0 "[ . 1 . 2]" 1
819 1 28 ILE HA 1 30 TYR H . . 5.500 5.536 5.374 5.581 0.081 5 0 "[ . 1 . 2]" 1
820 1 28 ILE HA 1 37 VAL MG1 . . 3.260 3.361 3.337 3.377 0.117 4 0 "[ . 1 . 2]" 1
821 1 28 ILE HA 1 38 GLU H . . 5.500 4.011 3.703 4.374 . 0 0 "[ . 1 . 2]" 1
822 1 28 ILE HA 1 38 GLU HG3 . . 5.010 4.981 4.556 5.103 0.093 2 0 "[ . 1 . 2]" 1
823 1 28 ILE HA 1 39 VAL MG1 . . 4.710 4.021 3.630 4.309 . 0 0 "[ . 1 . 2]" 1
824 1 28 ILE HB 1 30 TYR H . . 5.500 5.398 5.133 5.563 0.063 14 0 "[ . 1 . 2]" 1
825 1 28 ILE HB 1 39 VAL HA . . 5.500 5.416 5.154 5.556 0.056 20 0 "[ . 1 . 2]" 1
826 1 28 ILE MD 1 29 ILE H . . 4.640 4.153 3.800 4.609 . 0 0 "[ . 1 . 2]" 1
827 1 28 ILE MD 1 39 VAL H . . 5.500 4.808 4.303 5.565 0.065 14 0 "[ . 1 . 2]" 1
828 1 28 ILE MD 1 39 VAL HA . . 3.810 2.501 2.169 3.069 . 0 0 "[ . 1 . 2]" 1
829 1 28 ILE MD 1 39 VAL MG2 . . 3.230 2.271 1.982 3.184 . 0 0 "[ . 1 . 2]" 1
830 1 28 ILE MD 1 40 VAL H . . 5.500 3.455 3.168 3.697 . 0 0 "[ . 1 . 2]" 1
831 1 28 ILE MD 1 40 VAL HB . . 4.750 4.785 4.470 4.857 0.107 20 0 "[ . 1 . 2]" 1
832 1 28 ILE HG12 1 94 VAL MG1 . . 3.870 2.912 2.100 3.422 . 0 0 "[ . 1 . 2]" 1
833 1 28 ILE HG12 1 94 VAL MG2 . . 4.510 2.688 2.253 3.180 . 0 0 "[ . 1 . 2]" 1
834 1 28 ILE HG13 1 39 VAL HA . . 5.140 4.718 3.136 5.220 0.080 6 0 "[ . 1 . 2]" 1
835 1 28 ILE HG13 1 39 VAL MG2 . . 4.280 3.677 2.217 4.283 0.003 19 0 "[ . 1 . 2]" 1
836 1 28 ILE HG13 1 94 VAL MG1 . . 4.540 2.450 2.023 3.495 . 0 0 "[ . 1 . 2]" 1
837 1 28 ILE MG 1 29 ILE H . . 3.800 3.042 2.722 3.339 . 0 0 "[ . 1 . 2]" 1
838 1 28 ILE MG 1 30 TYR H . . 4.880 4.141 3.651 4.530 . 0 0 "[ . 1 . 2]" 1
839 1 28 ILE MG 1 30 TYR HA . . 4.530 4.307 4.027 4.508 . 0 0 "[ . 1 . 2]" 1
840 1 28 ILE MG 1 30 TYR HB2 . . 4.500 3.608 2.979 4.186 . 0 0 "[ . 1 . 2]" 1
841 1 28 ILE MG 1 30 TYR QD . . 5.500 4.228 3.800 5.059 . 0 0 "[ . 1 . 2]" 1
842 1 28 ILE MG 1 37 VAL MG2 . . 3.500 3.615 3.585 3.634 0.134 4 0 "[ . 1 . 2]" 1
843 1 28 ILE MG 1 38 GLU H . . 4.200 3.604 3.275 3.966 . 0 0 "[ . 1 . 2]" 1
844 1 28 ILE MG 1 39 VAL HA . . 4.220 3.778 3.333 4.165 . 0 0 "[ . 1 . 2]" 1
845 1 29 ILE H 1 29 ILE HB . . 3.400 2.512 2.286 2.734 . 0 0 "[ . 1 . 2]" 1
846 1 29 ILE H 1 29 ILE HG12 . . 4.070 3.939 3.670 4.139 0.069 19 0 "[ . 1 . 2]" 1
847 1 29 ILE H 1 29 ILE HG13 . . 4.000 2.764 2.481 3.000 . 0 0 "[ . 1 . 2]" 1
848 1 29 ILE H 1 30 TYR HA . . 5.500 4.892 4.710 5.106 . 0 0 "[ . 1 . 2]" 1
849 1 29 ILE H 1 38 GLU H . . 3.610 2.601 2.395 2.846 . 0 0 "[ . 1 . 2]" 1
850 1 29 ILE H 1 38 GLU HB3 . . 4.920 3.457 2.926 5.288 0.368 4 0 "[ . 1 . 2]" 1
851 1 29 ILE H 1 39 VAL HA . . 3.840 3.803 3.590 3.903 0.063 13 0 "[ . 1 . 2]" 1
852 1 29 ILE H 1 40 VAL H . . 4.200 4.150 3.747 4.274 0.074 17 0 "[ . 1 . 2]" 1
853 1 29 ILE HA 1 29 ILE MD . . 4.260 3.812 3.710 3.864 . 0 0 "[ . 1 . 2]" 1
854 1 29 ILE HA 1 29 ILE HG12 . . 4.130 2.486 2.339 2.604 . 0 0 "[ . 1 . 2]" 1
855 1 29 ILE HA 1 29 ILE HG13 . . 3.690 2.917 2.669 3.112 . 0 0 "[ . 1 . 2]" 1
856 1 29 ILE HA 1 29 ILE MG . . 3.220 2.464 2.297 2.761 . 0 0 "[ . 1 . 2]" 1
857 1 29 ILE HA 1 30 TYR H . . 2.840 2.103 2.027 2.163 . 0 0 "[ . 1 . 2]" 1
858 1 29 ILE HA 1 30 TYR HB3 . . 4.610 4.597 4.449 4.683 0.073 10 0 "[ . 1 . 2]" 1
859 1 29 ILE HA 1 63 VAL MG2 . . 5.000 3.840 3.561 4.056 . 0 0 "[ . 1 . 2]" 1
860 1 29 ILE HB 1 29 ILE MD . . 3.530 2.348 2.234 2.478 . 0 0 "[ . 1 . 2]" 1
861 1 29 ILE HB 1 30 TYR H . . 5.010 4.429 4.230 4.521 . 0 0 "[ . 1 . 2]" 1
862 1 29 ILE HB 1 38 GLU H . . 3.680 3.325 2.991 3.718 0.038 6 0 "[ . 1 . 2]" 1
863 1 29 ILE HB 1 38 GLU HG2 . . 4.920 3.535 2.162 4.101 . 0 0 "[ . 1 . 2]" 1
864 1 29 ILE HB 1 40 VAL H . . 5.500 5.099 4.561 5.563 0.063 17 0 "[ . 1 . 2]" 1
865 1 29 ILE HB 1 63 VAL MG2 . . 4.240 4.196 3.970 4.351 0.111 7 0 "[ . 1 . 2]" 1
866 1 29 ILE MD 1 58 LEU H . . 5.500 4.945 4.727 5.267 . 0 0 "[ . 1 . 2]" 1
867 1 29 ILE MD 1 58 LEU MD2 . . 3.340 1.953 1.879 2.026 . 0 0 "[ . 1 . 2]" 1
868 1 29 ILE MD 1 61 LYS HB2 . . 4.220 2.466 2.208 2.777 . 0 0 "[ . 1 . 2]" 1
869 1 29 ILE MD 1 61 LYS HB3 . . 4.030 2.952 2.400 3.547 . 0 0 "[ . 1 . 2]" 1
870 1 29 ILE MD 1 61 LYS QD . . 5.270 2.660 2.101 3.763 . 0 0 "[ . 1 . 2]" 1
871 1 29 ILE MD 1 61 LYS QE . . 5.230 2.820 1.926 3.720 . 0 0 "[ . 1 . 2]" 1
872 1 29 ILE MD 1 63 VAL H . . 5.500 4.620 4.080 5.247 . 0 0 "[ . 1 . 2]" 1
873 1 29 ILE HG12 1 58 LEU MD2 . . 4.980 2.852 2.482 3.387 . 0 0 "[ . 1 . 2]" 1
874 1 29 ILE HG13 1 30 TYR H . . 4.950 4.966 4.765 5.032 0.082 18 0 "[ . 1 . 2]" 1
875 1 29 ILE HG13 1 38 GLU H . . 5.170 4.946 4.563 5.258 0.088 19 0 "[ . 1 . 2]" 1
876 1 29 ILE HG13 1 38 GLU HG2 . . 5.000 4.825 4.357 5.087 0.087 17 0 "[ . 1 . 2]" 1
877 1 29 ILE HG13 1 58 LEU MD2 . . 5.500 3.117 2.869 3.460 . 0 0 "[ . 1 . 2]" 1
878 1 29 ILE MG 1 30 TYR H . . 3.960 3.164 2.844 3.513 . 0 0 "[ . 1 . 2]" 1
879 1 29 ILE MG 1 30 TYR HA . . 4.480 4.137 3.861 4.349 . 0 0 "[ . 1 . 2]" 1
880 1 29 ILE MG 1 31 ASP H . . 5.500 4.234 3.794 4.668 . 0 0 "[ . 1 . 2]" 1
881 1 29 ILE MG 1 31 ASP HA . . 5.500 4.173 3.854 4.529 . 0 0 "[ . 1 . 2]" 1
882 1 29 ILE MG 1 31 ASP QB . . 5.500 4.299 3.573 5.174 . 0 0 "[ . 1 . 2]" 1
883 1 29 ILE MG 1 38 GLU H . . 5.500 4.162 3.675 4.648 . 0 0 "[ . 1 . 2]" 1
884 1 29 ILE MG 1 38 GLU HB2 . . 4.610 4.550 4.007 4.804 0.194 19 0 "[ . 1 . 2]" 1
885 1 29 ILE MG 1 38 GLU HB3 . . 4.690 3.592 2.827 4.545 . 0 0 "[ . 1 . 2]" 1
886 1 29 ILE MG 1 38 GLU HG3 . . 5.280 4.903 2.978 5.372 0.092 5 0 "[ . 1 . 2]" 1
887 1 29 ILE MG 1 58 LEU MD2 . . 5.290 4.120 3.635 4.520 . 0 0 "[ . 1 . 2]" 1
888 1 29 ILE MG 1 61 LYS HB3 . . 4.730 3.116 2.353 4.376 . 0 0 "[ . 1 . 2]" 1
889 1 29 ILE MG 1 63 VAL H . . 4.820 4.617 4.275 4.907 0.087 4 0 "[ . 1 . 2]" 1
890 1 29 ILE MG 1 63 VAL HA . . 5.100 3.896 3.546 4.406 . 0 0 "[ . 1 . 2]" 1
891 1 29 ILE MG 1 63 VAL MG2 . . 2.640 2.127 1.914 2.469 . 0 0 "[ . 1 . 2]" 1
892 1 30 TYR H 1 30 TYR HB2 . . 3.580 2.671 2.391 2.896 . 0 0 "[ . 1 . 2]" 1
893 1 30 TYR H 1 30 TYR HB3 . . 3.440 2.520 2.372 2.631 . 0 0 "[ . 1 . 2]" 1
894 1 30 TYR H 1 30 TYR QD . . 5.110 4.239 4.163 4.287 . 0 0 "[ . 1 . 2]" 1
895 1 30 TYR H 1 31 ASP H . . 5.210 4.381 4.184 4.516 . 0 0 "[ . 1 . 2]" 1
896 1 30 TYR H 1 37 VAL MG1 . . 5.410 3.630 3.451 3.796 . 0 0 "[ . 1 . 2]" 1
897 1 30 TYR H 1 98 ILE MD . . 5.500 4.799 4.589 5.106 . 0 0 "[ . 1 . 2]" 1
898 1 30 TYR HA 1 30 TYR QD . . 3.530 2.634 2.020 2.933 . 0 0 "[ . 1 . 2]" 1
899 1 30 TYR HA 1 31 ASP H . . 2.860 2.141 2.061 2.255 . 0 0 "[ . 1 . 2]" 1
900 1 30 TYR HA 1 31 ASP QB . . 4.130 3.974 3.808 4.086 . 0 0 "[ . 1 . 2]" 1
901 1 30 TYR HA 1 37 VAL H . . 4.860 4.942 4.915 4.956 0.096 3 0 "[ . 1 . 2]" 1
902 1 30 TYR HA 1 37 VAL HA . . 3.440 2.523 2.404 2.654 . 0 0 "[ . 1 . 2]" 1
903 1 30 TYR HA 1 37 VAL MG1 . . 4.150 2.211 2.093 2.305 . 0 0 "[ . 1 . 2]" 1
904 1 30 TYR HA 1 37 VAL MG2 . . 4.100 3.155 2.922 3.409 . 0 0 "[ . 1 . 2]" 1
905 1 30 TYR HA 1 38 GLU H . . 4.430 4.095 3.888 4.436 0.006 6 0 "[ . 1 . 2]" 1
906 1 30 TYR HB2 1 31 ASP H . . 4.970 4.404 4.205 4.618 . 0 0 "[ . 1 . 2]" 1
907 1 30 TYR HB2 1 37 VAL HA . . 5.500 4.663 4.470 4.787 . 0 0 "[ . 1 . 2]" 1
908 1 30 TYR HB2 1 37 VAL MG2 . . 5.500 4.022 3.820 4.365 . 0 0 "[ . 1 . 2]" 1
909 1 30 TYR HB2 1 98 ILE MD . . 3.890 3.325 3.003 3.576 . 0 0 "[ . 1 . 2]" 1
910 1 30 TYR HB2 1 98 ILE HG13 . . 5.500 4.544 4.368 4.807 . 0 0 "[ . 1 . 2]" 1
911 1 30 TYR HB3 1 31 ASP HA . . 5.070 5.018 4.713 5.139 0.069 20 0 "[ . 1 . 2]" 1
912 1 30 TYR HB3 1 32 THR MG . . 5.500 3.813 2.863 4.195 . 0 0 "[ . 1 . 2]" 1
913 1 30 TYR HB3 1 98 ILE MD . . 4.840 3.699 3.412 3.966 . 0 0 "[ . 1 . 2]" 1
914 1 30 TYR HB3 1 98 ILE HG13 . . 5.500 5.459 5.169 5.582 0.082 14 0 "[ . 1 . 2]" 1
915 1 30 TYR HB3 1 98 ILE MG . . 5.500 4.149 3.804 4.476 . 0 0 "[ . 1 . 2]" 1
916 1 30 TYR QD 1 31 ASP H . . 4.350 3.646 2.683 4.151 . 0 0 "[ . 1 . 2]" 1
917 1 30 TYR QD 1 32 THR H . . 5.280 4.317 3.759 4.949 . 0 0 "[ . 1 . 2]" 1
918 1 30 TYR QD 1 32 THR MG . . 3.350 2.285 2.023 2.681 . 0 0 "[ . 1 . 2]" 1
919 1 30 TYR QD 1 37 VAL HA . . 3.990 3.891 3.273 4.081 0.091 17 0 "[ . 1 . 2]" 1
920 1 30 TYR QD 1 37 VAL MG1 . . 4.000 2.498 2.201 2.825 . 0 0 "[ . 1 . 2]" 1
921 1 30 TYR QD 1 37 VAL MG2 . . 3.320 2.119 2.036 2.236 . 0 0 "[ . 1 . 2]" 1
922 1 30 TYR QD 1 98 ILE MD . . 4.030 3.982 3.223 4.149 0.119 13 0 "[ . 1 . 2]" 1
923 1 30 TYR QD 1 98 ILE HG13 . . 5.430 4.616 4.265 5.149 . 0 0 "[ . 1 . 2]" 1
924 1 30 TYR QD 1 98 ILE MG . . 4.010 3.451 2.545 3.767 . 0 0 "[ . 1 . 2]" 1
925 1 30 TYR QE 1 32 THR HA . . 3.460 3.199 2.666 3.559 0.099 18 0 "[ . 1 . 2]" 1
926 1 30 TYR QE 1 32 THR MG . . 3.260 2.413 2.123 3.341 0.081 11 0 "[ . 1 . 2]" 1
927 1 30 TYR QE 1 33 GLU H . . 5.500 5.359 4.637 5.600 0.100 5 0 "[ . 1 . 2]" 1
928 1 30 TYR QE 1 35 GLY H . . 5.500 4.604 4.061 4.929 . 0 0 "[ . 1 . 2]" 1
929 1 30 TYR QE 1 35 GLY HA2 . . 4.550 3.021 2.245 3.335 . 0 0 "[ . 1 . 2]" 1
930 1 30 TYR QE 1 35 GLY HA3 . . 3.970 3.802 2.907 4.080 0.110 18 0 "[ . 1 . 2]" 1
931 1 30 TYR QE 1 37 VAL MG1 . . 4.470 4.341 4.041 4.593 0.123 4 0 "[ . 1 . 2]" 1
932 1 30 TYR QE 1 37 VAL MG2 . . 3.870 2.835 2.475 3.274 . 0 0 "[ . 1 . 2]" 1
933 1 31 ASP H 1 31 ASP QB . . 3.380 2.139 1.943 2.335 . 0 0 "[ . 1 . 2]" 1
934 1 31 ASP H 1 32 THR H . . 5.450 4.458 4.323 4.643 . 0 0 "[ . 1 . 2]" 1
935 1 31 ASP H 1 32 THR MG . . 5.500 4.832 4.255 5.071 . 0 0 "[ . 1 . 2]" 1
936 1 31 ASP H 1 36 ASN QB . . 4.740 3.785 3.239 4.296 . 0 0 "[ . 1 . 2]" 1
937 1 31 ASP H 1 37 VAL H . . 5.500 4.889 4.599 5.019 . 0 0 "[ . 1 . 2]" 1
938 1 31 ASP H 1 37 VAL HA . . 4.280 3.281 2.862 3.654 . 0 0 "[ . 1 . 2]" 1
939 1 31 ASP H 1 37 VAL MG1 . . 3.860 3.948 3.829 3.966 0.106 11 0 "[ . 1 . 2]" 1
940 1 31 ASP H 1 37 VAL MG2 . . 5.500 3.983 3.793 4.201 . 0 0 "[ . 1 . 2]" 1
941 1 31 ASP HA 1 32 THR H . . 2.920 2.295 2.186 2.365 . 0 0 "[ . 1 . 2]" 1
942 1 31 ASP HA 1 32 THR HA . . 5.190 4.492 4.397 4.588 . 0 0 "[ . 1 . 2]" 1
943 1 31 ASP HA 1 33 GLU H . . 4.660 3.915 3.578 4.422 . 0 0 "[ . 1 . 2]" 1
944 1 31 ASP QB 1 32 THR H . . 5.060 3.808 3.474 4.066 . 0 0 "[ . 1 . 2]" 1
945 1 31 ASP QB 1 33 GLU H . . 5.300 2.891 2.147 3.345 . 0 0 "[ . 1 . 2]" 1
946 1 31 ASP QB 1 33 GLU QB . . 4.270 3.497 2.461 4.174 . 0 0 "[ . 1 . 2]" 1
947 1 31 ASP QB 1 34 SER H . . 4.360 2.881 2.161 3.328 . 0 0 "[ . 1 . 2]" 1
948 1 31 ASP QB 1 35 GLY H . . 4.360 3.792 3.117 4.213 . 0 0 "[ . 1 . 2]" 1
949 1 31 ASP QB 1 36 ASN H . . 3.670 2.609 2.156 3.129 . 0 0 "[ . 1 . 2]" 1
950 1 31 ASP QB 1 36 ASN QB . . 3.680 2.347 2.016 2.987 . 0 0 "[ . 1 . 2]" 1
951 1 31 ASP QB 1 37 VAL H . . 5.500 4.849 4.480 5.134 . 0 0 "[ . 1 . 2]" 1
952 1 32 THR H 1 32 THR MG . . 3.400 2.466 2.185 2.883 . 0 0 "[ . 1 . 2]" 1
953 1 32 THR H 1 33 GLU H . . 3.770 3.222 2.821 3.725 . 0 0 "[ . 1 . 2]" 1
954 1 32 THR H 1 34 SER H . . 5.310 5.187 4.867 5.396 0.086 6 0 "[ . 1 . 2]" 1
955 1 32 THR HA 1 32 THR MG . . 3.520 2.401 2.191 2.579 . 0 0 "[ . 1 . 2]" 1
956 1 32 THR HA 1 33 GLU HA . . 4.320 4.350 4.122 4.419 0.099 19 0 "[ . 1 . 2]" 1
957 1 32 THR MG 1 33 GLU H . . 5.320 4.351 4.191 4.475 . 0 0 "[ . 1 . 2]" 1
958 1 33 GLU H 1 33 GLU QB . . 3.360 2.646 2.325 2.827 . 0 0 "[ . 1 . 2]" 1
959 1 33 GLU H 1 33 GLU HG2 . . 4.380 4.136 3.192 4.544 0.164 5 0 "[ . 1 . 2]" 1
960 1 33 GLU H 1 33 GLU HG3 . . 4.450 4.085 2.920 4.543 0.093 3 0 "[ . 1 . 2]" 1
961 1 33 GLU H 1 34 SER H . . 3.370 2.238 1.754 2.909 . 0 0 "[ . 1 . 2]" 1
962 1 33 GLU H 1 34 SER QB . . 5.500 4.508 4.149 5.006 . 0 0 "[ . 1 . 2]" 1
963 1 33 GLU H 1 35 GLY H . . 4.510 2.849 2.332 3.171 . 0 0 "[ . 1 . 2]" 1
964 1 33 GLU H 1 35 GLY HA2 . . 4.470 4.373 3.847 4.528 0.058 18 0 "[ . 1 . 2]" 1
965 1 33 GLU H 1 35 GLY HA3 . . 5.490 5.502 4.985 5.579 0.089 19 0 "[ . 1 . 2]" 1
966 1 33 GLU H 1 36 ASN H . . 5.500 4.181 3.570 4.670 . 0 0 "[ . 1 . 2]" 1
967 1 33 GLU HA 1 33 GLU QB . . 2.760 2.481 2.379 2.566 . 0 0 "[ . 1 . 2]" 1
968 1 33 GLU HA 1 33 GLU HG2 . . 3.600 2.552 2.080 3.360 . 0 0 "[ . 1 . 2]" 1
969 1 33 GLU HA 1 33 GLU HG3 . . 3.910 3.133 2.227 3.788 . 0 0 "[ . 1 . 2]" 1
970 1 33 GLU HA 1 34 SER HA . . 4.040 4.135 4.116 4.151 0.111 14 0 "[ . 1 . 2]" 1
971 1 33 GLU QB 1 34 SER H . . 3.660 2.574 1.985 3.283 . 0 0 "[ . 1 . 2]" 1
972 1 33 GLU QB 1 34 SER QB . . 3.590 3.451 2.861 3.614 0.024 20 0 "[ . 1 . 2]" 1
973 1 33 GLU QB 1 35 GLY H . . 5.450 4.484 4.238 4.808 . 0 0 "[ . 1 . 2]" 1
974 1 33 GLU HG3 1 34 SER H . . 5.080 4.768 4.189 5.272 0.192 18 0 "[ . 1 . 2]" 1
975 1 34 SER H 1 34 SER QB . . 3.880 2.576 2.114 3.232 . 0 0 "[ . 1 . 2]" 1
976 1 34 SER H 1 35 GLY H . . 3.150 2.527 1.916 3.190 0.040 4 0 "[ . 1 . 2]" 1
977 1 34 SER H 1 35 GLY HA2 . . 5.500 4.486 3.602 5.219 . 0 0 "[ . 1 . 2]" 1
978 1 34 SER HA 1 35 GLY HA3 . . 5.500 4.452 4.229 4.714 . 0 0 "[ . 1 . 2]" 1
979 1 34 SER HA 1 36 ASN H . . 4.970 4.450 4.225 4.686 . 0 0 "[ . 1 . 2]" 1
980 1 34 SER QB 1 35 GLY H . . 4.670 3.877 3.763 4.101 . 0 0 "[ . 1 . 2]" 1
981 1 34 SER QB 1 36 ASN H . . 4.590 3.527 3.042 3.939 . 0 0 "[ . 1 . 2]" 1
982 1 34 SER QB 1 36 ASN QB . . 5.100 3.466 2.434 4.305 . 0 0 "[ . 1 . 2]" 1
983 1 35 GLY H 1 36 ASN H . . 3.590 2.858 2.516 3.077 . 0 0 "[ . 1 . 2]" 1
984 1 35 GLY H 1 36 ASN QB . . 5.500 4.667 4.061 5.291 . 0 0 "[ . 1 . 2]" 1
985 1 35 GLY HA3 1 36 ASN HA . . 4.870 4.604 4.404 4.724 . 0 0 "[ . 1 . 2]" 1
986 1 36 ASN H 1 36 ASN QB . . 3.140 2.298 2.126 2.709 . 0 0 "[ . 1 . 2]" 1
987 1 36 ASN H 1 37 VAL H . . 5.290 4.588 4.433 4.657 . 0 0 "[ . 1 . 2]" 1
988 1 36 ASN HA 1 37 VAL H . . 3.490 2.296 2.070 2.471 . 0 0 "[ . 1 . 2]" 1
989 1 36 ASN HA 1 37 VAL HB . . 5.040 5.059 4.807 5.115 0.075 3 0 "[ . 1 . 2]" 1
990 1 36 ASN HA 1 37 VAL MG2 . . 4.200 3.299 3.099 3.561 . 0 0 "[ . 1 . 2]" 1
991 1 36 ASN QB 1 37 VAL H . . 3.870 3.063 2.515 3.618 . 0 0 "[ . 1 . 2]" 1
992 1 37 VAL H 1 37 VAL HB . . 3.340 3.159 2.880 3.373 0.033 13 0 "[ . 1 . 2]" 1
993 1 37 VAL H 1 37 VAL MG2 . . 3.590 2.645 2.326 2.896 . 0 0 "[ . 1 . 2]" 1
994 1 37 VAL H 1 38 GLU H . . 5.320 4.341 4.107 4.557 . 0 0 "[ . 1 . 2]" 1
995 1 37 VAL HA 1 37 VAL MG1 . . 3.230 2.155 2.071 2.251 . 0 0 "[ . 1 . 2]" 1
996 1 37 VAL HA 1 37 VAL MG2 . . 3.270 2.793 2.677 2.916 . 0 0 "[ . 1 . 2]" 1
997 1 37 VAL HA 1 38 GLU H . . 2.790 2.321 2.116 2.586 . 0 0 "[ . 1 . 2]" 1
998 1 37 VAL HB 1 38 GLU H . . 4.700 3.363 3.059 3.763 . 0 0 "[ . 1 . 2]" 1
999 1 37 VAL MG1 1 38 GLU H . . 4.060 2.095 1.782 2.529 . 0 0 "[ . 1 . 2]" 1
1000 1 37 VAL MG1 1 38 GLU HA . . 4.190 4.208 4.083 4.288 0.098 5 0 "[ . 1 . 2]" 1
1001 1 37 VAL MG2 1 38 GLU H . . 5.450 4.208 4.060 4.400 . 0 0 "[ . 1 . 2]" 1
1002 1 38 GLU H 1 38 GLU HB2 . . 3.950 3.341 2.843 3.882 . 0 0 "[ . 1 . 2]" 1
1003 1 38 GLU H 1 38 GLU HB3 . . 3.950 2.618 2.298 3.384 . 0 0 "[ . 1 . 2]" 1
1004 1 38 GLU H 1 38 GLU HG2 . . 4.930 4.488 2.277 4.925 . 0 0 "[ . 1 . 2]" 1
1005 1 38 GLU H 1 38 GLU HG3 . . 5.500 4.133 3.110 4.329 . 0 0 "[ . 1 . 2]" 1
1006 1 38 GLU HA 1 38 GLU HG2 . . 4.130 3.920 3.709 4.025 . 0 0 "[ . 1 . 2]" 1
1007 1 38 GLU HA 1 38 GLU HG3 . . 4.230 3.302 3.049 3.788 . 0 0 "[ . 1 . 2]" 1
1008 1 38 GLU HA 1 39 VAL H . . 2.660 2.278 2.180 2.411 . 0 0 "[ . 1 . 2]" 1
1009 1 38 GLU HB3 1 39 VAL H . . 4.200 4.201 3.747 4.427 0.227 11 0 "[ . 1 . 2]" 1
1010 1 38 GLU HG2 1 39 VAL H . . 4.610 4.478 4.111 4.690 0.080 19 0 "[ . 1 . 2]" 1
1011 1 38 GLU HG2 1 40 VAL MG2 . . 5.370 3.198 2.327 4.830 . 0 0 "[ . 1 . 2]" 1
1012 1 38 GLU HG3 1 39 VAL H . . 4.450 3.090 2.606 3.800 . 0 0 "[ . 1 . 2]" 1
1013 1 39 VAL H 1 39 VAL HB . . 3.200 2.674 2.550 2.770 . 0 0 "[ . 1 . 2]" 1
1014 1 39 VAL H 1 39 VAL MG1 . . 4.730 3.894 3.827 3.955 . 0 0 "[ . 1 . 2]" 1
1015 1 39 VAL H 1 39 VAL MG2 . . 3.740 2.679 2.406 2.905 . 0 0 "[ . 1 . 2]" 1
1016 1 39 VAL H 1 40 VAL H . . 5.340 4.132 4.017 4.352 . 0 0 "[ . 1 . 2]" 1
1017 1 39 VAL HA 1 39 VAL MG1 . . 3.270 2.370 2.253 2.542 . 0 0 "[ . 1 . 2]" 1
1018 1 39 VAL HA 1 39 VAL MG2 . . 3.080 2.496 2.301 2.614 . 0 0 "[ . 1 . 2]" 1
1019 1 39 VAL HA 1 40 VAL H . . 2.810 2.163 2.101 2.220 . 0 0 "[ . 1 . 2]" 1
1020 1 39 VAL HB 1 40 VAL H . . 4.550 4.376 4.279 4.488 . 0 0 "[ . 1 . 2]" 1
1021 1 39 VAL MG1 1 40 VAL H . . 3.930 3.153 2.912 3.281 . 0 0 "[ . 1 . 2]" 1
1022 1 39 VAL MG1 1 40 VAL HA . . 4.120 3.967 3.672 4.180 0.060 1 0 "[ . 1 . 2]" 1
1023 1 39 VAL MG1 1 41 GLU H . . 5.190 4.240 3.754 4.743 . 0 0 "[ . 1 . 2]" 1
1024 1 40 VAL H 1 40 VAL HB . . 3.300 2.175 2.090 2.297 . 0 0 "[ . 1 . 2]" 1
1025 1 40 VAL H 1 40 VAL MG1 . . 3.850 3.592 3.485 3.721 . 0 0 "[ . 1 . 2]" 1
1026 1 40 VAL H 1 40 VAL MG2 . . 3.630 2.845 2.308 3.045 . 0 0 "[ . 1 . 2]" 1
1027 1 40 VAL H 1 41 GLU H . . 5.500 4.494 4.353 4.602 . 0 0 "[ . 1 . 2]" 1
1028 1 40 VAL HA 1 40 VAL MG2 . . 2.970 2.271 2.213 2.436 . 0 0 "[ . 1 . 2]" 1
1029 1 40 VAL HA 1 41 GLU H . . 2.730 2.229 2.091 2.427 . 0 0 "[ . 1 . 2]" 1
1030 1 40 VAL HB 1 58 LEU MD2 . . 4.990 3.174 2.948 3.567 . 0 0 "[ . 1 . 2]" 1
1031 1 40 VAL HB 1 58 LEU HG . . 5.500 5.545 5.388 5.577 0.077 4 0 "[ . 1 . 2]" 1
1032 1 40 VAL HB 1 61 LYS QE . . 5.190 4.594 3.737 5.250 0.060 12 0 "[ . 1 . 2]" 1
1033 1 40 VAL MG1 1 41 GLU H . . 3.950 2.542 2.116 2.960 . 0 0 "[ . 1 . 2]" 1
1034 1 40 VAL MG1 1 41 GLU HA . . 4.150 3.620 3.255 3.806 . 0 0 "[ . 1 . 2]" 1
1035 1 40 VAL MG1 1 42 ASN H . . 5.500 3.731 3.283 4.096 . 0 0 "[ . 1 . 2]" 1
1036 1 40 VAL MG1 1 42 ASN HA . . 4.070 3.832 3.526 4.119 0.049 7 0 "[ . 1 . 2]" 1
1037 1 40 VAL MG1 1 42 ASN HB2 . . 5.200 2.405 2.065 3.182 . 0 0 "[ . 1 . 2]" 1
1038 1 40 VAL MG1 1 58 LEU MD2 . . 4.900 2.584 2.178 3.331 . 0 0 "[ . 1 . 2]" 1
1039 1 40 VAL MG2 1 61 LYS QD . . 4.170 2.899 2.290 3.962 . 0 0 "[ . 1 . 2]" 1
1040 1 40 VAL MG2 1 61 LYS QE . . 4.060 2.150 1.878 2.747 . 0 0 "[ . 1 . 2]" 1
1041 1 40 VAL MG2 1 61 LYS HG2 . . 4.890 4.315 3.558 5.065 0.175 1 0 "[ . 1 . 2]" 1
1042 1 41 GLU H 1 41 GLU QB . . 3.160 2.324 2.109 2.722 . 0 0 "[ . 1 . 2]" 1
1043 1 41 GLU H 1 41 GLU HG3 . . 4.610 4.656 4.570 4.683 0.073 6 0 "[ . 1 . 2]" 1
1044 1 41 GLU H 1 42 ASN H . . 5.130 4.320 3.975 4.571 . 0 0 "[ . 1 . 2]" 1
1045 1 41 GLU HA 1 41 GLU HG3 . . 3.140 2.714 2.335 3.181 0.041 6 0 "[ . 1 . 2]" 1
1046 1 41 GLU HA 1 42 ASN H . . 2.800 2.319 2.190 2.424 . 0 0 "[ . 1 . 2]" 1
1047 1 41 GLU HA 1 42 ASN HB2 . . 5.500 4.294 4.041 4.607 . 0 0 "[ . 1 . 2]" 1
1048 1 41 GLU HA 1 43 THR MG . . 4.900 4.637 4.038 4.935 0.035 17 0 "[ . 1 . 2]" 1
1049 1 41 GLU QB 1 42 ASN H . . 4.370 3.882 3.604 4.028 . 0 0 "[ . 1 . 2]" 1
1050 1 41 GLU QB 1 43 THR MG . . 4.040 4.124 3.946 4.167 0.127 4 0 "[ . 1 . 2]" 1
1051 1 41 GLU HG2 1 42 ASN H . . 4.830 3.236 2.360 3.879 . 0 0 "[ . 1 . 2]" 1
1052 1 41 GLU HG2 1 43 THR MG . . 5.270 2.535 2.231 3.123 . 0 0 "[ . 1 . 2]" 1
1053 1 41 GLU HG3 1 42 ASN H . . 5.020 3.634 3.007 4.207 . 0 0 "[ . 1 . 2]" 1
1054 1 41 GLU HG3 1 43 THR MG . . 4.580 3.596 2.839 4.460 . 0 0 "[ . 1 . 2]" 1
1055 1 42 ASN H 1 42 ASN HB2 . . 3.450 2.952 2.407 3.287 . 0 0 "[ . 1 . 2]" 1
1056 1 42 ASN H 1 42 ASN HB3 . . 3.410 3.173 2.930 3.493 0.083 7 0 "[ . 1 . 2]" 1
1057 1 42 ASN H 1 44 ILE H . . 5.410 5.025 4.538 5.373 . 0 0 "[ . 1 . 2]" 1
1058 1 42 ASN HA 1 43 THR H . . 3.140 2.183 2.029 2.340 . 0 0 "[ . 1 . 2]" 1
1059 1 42 ASN HA 1 44 ILE H . . 4.580 4.616 4.377 4.662 0.082 11 0 "[ . 1 . 2]" 1
1060 1 42 ASN HA 1 44 ILE MD . . 5.100 3.660 2.493 4.334 . 0 0 "[ . 1 . 2]" 1
1061 1 42 ASN HB2 1 43 THR H . . 5.300 4.525 4.261 4.755 . 0 0 "[ . 1 . 2]" 1
1062 1 42 ASN HB3 1 43 THR H . . 4.760 4.067 3.677 4.371 . 0 0 "[ . 1 . 2]" 1
1063 1 42 ASN HB3 1 43 THR HA . . 5.500 4.887 4.684 5.127 . 0 0 "[ . 1 . 2]" 1
1064 1 42 ASN HB3 1 44 ILE MG . . 4.220 4.113 3.461 4.356 0.136 8 0 "[ . 1 . 2]" 1
1065 1 42 ASN HB3 1 54 VAL MG1 . . 5.500 5.221 4.560 5.599 0.099 15 0 "[ . 1 . 2]" 1
1066 1 43 THR H 1 43 THR MG . . 4.240 2.475 2.262 2.844 . 0 0 "[ . 1 . 2]" 1
1067 1 43 THR H 1 44 ILE H . . 4.120 3.578 3.017 3.853 . 0 0 "[ . 1 . 2]" 1
1068 1 43 THR HA 1 43 THR MG . . 2.960 2.314 2.194 2.501 . 0 0 "[ . 1 . 2]" 1
1069 1 43 THR HA 1 44 ILE H . . 3.490 2.598 2.338 2.839 . 0 0 "[ . 1 . 2]" 1
1070 1 43 THR HA 1 44 ILE MD . . 5.500 3.827 3.584 3.981 . 0 0 "[ . 1 . 2]" 1
1071 1 43 THR MG 1 44 ILE MD . . 4.660 4.669 4.379 4.802 0.142 1 0 "[ . 1 . 2]" 1
1072 1 44 ILE H 1 44 ILE HB . . 3.410 3.325 2.781 3.497 0.087 3 0 "[ . 1 . 2]" 1
1073 1 44 ILE H 1 44 ILE MD . . 5.160 2.119 1.773 2.908 . 0 0 "[ . 1 . 2]" 1
1074 1 44 ILE H 1 44 ILE HG12 . . 4.050 2.130 1.908 3.752 . 0 0 "[ . 1 . 2]" 1
1075 1 44 ILE H 1 44 ILE HG13 . . 3.900 3.400 2.423 3.718 . 0 0 "[ . 1 . 2]" 1
1076 1 44 ILE H 1 44 ILE MG . . 4.470 3.059 2.399 3.835 . 0 0 "[ . 1 . 2]" 1
1077 1 44 ILE H 1 45 ALA H . . 4.520 4.126 3.302 4.597 0.077 20 0 "[ . 1 . 2]" 1
1078 1 44 ILE H 1 45 ALA MB . . 5.500 4.837 4.214 5.426 . 0 0 "[ . 1 . 2]" 1
1079 1 44 ILE HA 1 44 ILE MD . . 4.760 3.370 2.129 3.898 . 0 0 "[ . 1 . 2]" 1
1080 1 44 ILE HA 1 44 ILE HG12 . . 4.110 3.639 3.440 4.163 0.053 1 0 "[ . 1 . 2]" 1
1081 1 44 ILE HA 1 44 ILE HG13 . . 4.180 4.112 3.482 4.252 0.072 4 0 "[ . 1 . 2]" 1
1082 1 44 ILE HA 1 44 ILE MG . . 3.310 2.190 2.066 2.295 . 0 0 "[ . 1 . 2]" 1
1083 1 44 ILE HA 1 45 ALA H . . 3.610 2.326 1.950 2.829 . 0 0 "[ . 1 . 2]" 1
1084 1 44 ILE HA 1 45 ALA MB . . 4.680 4.111 3.545 4.583 . 0 0 "[ . 1 . 2]" 1
1085 1 44 ILE HB 1 45 ALA H . . 5.110 3.817 2.413 4.451 . 0 0 "[ . 1 . 2]" 1
1086 1 44 ILE HB 1 45 ALA HA . . 4.980 4.588 3.730 4.943 . 0 0 "[ . 1 . 2]" 1
1087 1 44 ILE HB 1 53 LYS QE . . 5.080 4.488 3.664 5.173 0.093 7 0 "[ . 1 . 2]" 1
1088 1 44 ILE HB 1 54 VAL MG1 . . 5.020 4.759 4.187 5.111 0.091 17 0 "[ . 1 . 2]" 1
1089 1 44 ILE MD 1 54 VAL HA . . 4.490 4.287 3.342 4.612 0.122 1 0 "[ . 1 . 2]" 1
1090 1 44 ILE MD 1 54 VAL MG1 . . 4.540 3.325 2.788 4.040 . 0 0 "[ . 1 . 2]" 1
1091 1 44 ILE MD 1 54 VAL MG2 . . 4.310 3.378 2.663 4.407 0.097 8 0 "[ . 1 . 2]" 1
1092 1 44 ILE HG13 1 44 ILE MG . . 2.850 2.533 2.076 2.893 0.043 11 0 "[ . 1 . 2]" 1
1093 1 44 ILE HG13 1 45 ALA H . . 5.500 5.397 4.613 5.793 0.293 3 0 "[ . 1 . 2]" 1
1094 1 44 ILE MG 1 45 ALA H . . 5.120 3.587 2.187 4.451 . 0 0 "[ . 1 . 2]" 1
1095 1 44 ILE MG 1 46 ASP H . . 5.500 4.925 4.056 5.610 0.110 4 0 "[ . 1 . 2]" 1
1096 1 44 ILE MG 1 53 LYS QB . . 4.350 3.708 2.265 4.472 0.122 20 0 "[ . 1 . 2]" 1
1097 1 44 ILE MG 1 53 LYS QD . . 4.910 3.159 1.994 4.865 . 0 0 "[ . 1 . 2]" 1
1098 1 44 ILE MG 1 53 LYS QE . . 5.500 2.382 1.778 3.740 . 0 0 "[ . 1 . 2]" 1
1099 1 44 ILE MG 1 53 LYS HG3 . . 4.840 4.594 2.657 5.777 0.937 3 3 "[ + . -* 1 . 2]" 1
1100 1 44 ILE MG 1 54 VAL H . . 4.440 3.873 3.018 4.510 0.070 20 0 "[ . 1 . 2]" 1
1101 1 45 ALA MB 1 46 ASP H . . 4.860 3.241 1.867 3.806 . 0 0 "[ . 1 . 2]" 1
1102 1 45 ALA MB 1 46 ASP HA . . 4.730 4.392 4.105 4.618 . 0 0 "[ . 1 . 2]" 1
1103 1 46 ASP HA 1 47 ALA HA . . 4.830 4.521 4.240 4.760 . 0 0 "[ . 1 . 2]" 1
1104 1 46 ASP HA 1 47 ALA MB . . 4.560 4.115 3.707 4.642 0.082 8 0 "[ . 1 . 2]" 1
1105 1 52 PRO HA 1 53 LYS QE . . 4.680 4.711 4.114 4.798 0.118 15 0 "[ . 1 . 2]" 1
1106 1 52 PRO HA 1 54 VAL H . . 5.280 4.263 3.933 4.532 . 0 0 "[ . 1 . 2]" 1
1107 1 52 PRO HA 1 55 VAL H . . 4.320 4.219 3.902 4.379 0.059 10 0 "[ . 1 . 2]" 1
1108 1 52 PRO HA 1 55 VAL MG1 . . 5.330 5.425 5.326 5.454 0.124 11 0 "[ . 1 . 2]" 1
1109 1 52 PRO HA 1 55 VAL MG2 . . 4.350 3.275 3.016 3.788 . 0 0 "[ . 1 . 2]" 1
1110 1 52 PRO HA 1 75 ALA HA . . 4.410 4.277 3.518 4.490 0.080 14 0 "[ . 1 . 2]" 1
1111 1 52 PRO HA 1 78 THR MG . . 4.120 4.167 4.002 4.226 0.106 2 0 "[ . 1 . 2]" 1
1112 1 52 PRO HB2 1 54 VAL H . . 3.800 3.827 3.511 3.878 0.078 19 0 "[ . 1 . 2]" 1
1113 1 52 PRO HB2 1 55 VAL H . . 4.940 2.461 2.074 2.834 . 0 0 "[ . 1 . 2]" 1
1114 1 52 PRO HB2 1 55 VAL HB . . 3.220 2.127 2.033 2.350 . 0 0 "[ . 1 . 2]" 1
1115 1 52 PRO HB2 1 56 GLN H . . 5.200 2.300 2.006 2.702 . 0 0 "[ . 1 . 2]" 1
1116 1 52 PRO HB2 1 56 GLN QG . . 4.710 4.021 3.781 4.566 . 0 0 "[ . 1 . 2]" 1
1117 1 52 PRO HB2 1 78 THR HB . . 4.100 4.165 4.049 4.182 0.082 3 0 "[ . 1 . 2]" 1
1118 1 52 PRO HB3 1 55 VAL H . . 5.470 3.931 3.669 4.203 . 0 0 "[ . 1 . 2]" 1
1119 1 52 PRO HB3 1 78 THR HB . . 3.210 3.102 2.866 3.258 0.048 7 0 "[ . 1 . 2]" 1
1120 1 52 PRO HB3 1 78 THR MG . . 3.860 2.197 2.111 2.310 . 0 0 "[ . 1 . 2]" 1
1121 1 52 PRO HD3 1 78 THR MG . . 3.510 3.152 2.802 3.593 0.083 2 0 "[ . 1 . 2]" 1
1122 1 52 PRO HG2 1 53 LYS HA . . 4.670 4.000 3.644 4.333 . 0 0 "[ . 1 . 2]" 1
1123 1 52 PRO HG2 1 56 GLN HA . . 3.510 3.595 3.570 3.607 0.097 2 0 "[ . 1 . 2]" 1
1124 1 52 PRO HG2 1 56 GLN QG . . 3.460 2.161 2.002 3.471 0.011 7 0 "[ . 1 . 2]" 1
1125 1 52 PRO HG3 1 55 VAL MG2 . . 5.500 4.183 3.988 4.401 . 0 0 "[ . 1 . 2]" 1
1126 1 53 LYS HA 1 53 LYS QD . . 4.700 4.068 3.368 4.354 . 0 0 "[ . 1 . 2]" 1
1127 1 53 LYS HA 1 53 LYS HG2 . . 3.700 3.254 2.486 3.812 0.112 12 0 "[ . 1 . 2]" 1
1128 1 53 LYS HA 1 55 VAL H . . 5.470 5.118 4.895 5.305 . 0 0 "[ . 1 . 2]" 1
1129 1 53 LYS HA 1 56 GLN H . . 4.610 4.089 3.603 4.455 . 0 0 "[ . 1 . 2]" 1
1130 1 53 LYS HA 1 56 GLN QB . . 3.830 2.922 2.257 3.901 0.071 7 0 "[ . 1 . 2]" 1
1131 1 53 LYS HA 1 56 GLN QG . . 5.330 4.072 2.508 5.041 . 0 0 "[ . 1 . 2]" 1
1132 1 53 LYS QB 1 53 LYS QE . . 3.690 2.213 1.796 3.536 . 0 0 "[ . 1 . 2]" 1
1133 1 53 LYS QB 1 54 VAL HA . . 4.630 4.344 3.799 4.733 0.103 1 0 "[ . 1 . 2]" 1
1134 1 53 LYS QB 1 54 VAL MG1 . . 4.590 3.611 2.785 4.703 0.113 11 0 "[ . 1 . 2]" 1
1135 1 53 LYS QD 1 54 VAL MG1 . . 5.020 4.428 2.251 5.108 0.088 3 0 "[ . 1 . 2]" 1
1136 1 53 LYS QE 1 53 LYS HG2 . . 3.770 2.809 2.161 3.582 . 0 0 "[ . 1 . 2]" 1
1137 1 53 LYS HG3 1 54 VAL H . . 5.500 3.971 2.071 4.858 . 0 0 "[ . 1 . 2]" 1
1138 1 54 VAL H 1 54 VAL HB . . 3.280 2.774 2.392 3.109 . 0 0 "[ . 1 . 2]" 1
1139 1 54 VAL H 1 54 VAL MG1 . . 3.770 1.918 1.767 2.234 . 0 0 "[ . 1 . 2]" 1
1140 1 54 VAL H 1 55 VAL H . . 3.640 2.834 2.417 3.131 . 0 0 "[ . 1 . 2]" 1
1141 1 54 VAL H 1 55 VAL HB . . 5.500 5.341 5.160 5.560 0.060 9 0 "[ . 1 . 2]" 1
1142 1 54 VAL H 1 57 SER H . . 5.500 4.928 4.661 5.314 . 0 0 "[ . 1 . 2]" 1
1143 1 54 VAL HA 1 54 VAL MG1 . . 3.450 3.264 3.189 3.333 . 0 0 "[ . 1 . 2]" 1
1144 1 54 VAL HA 1 54 VAL MG2 . . 3.200 2.555 2.334 2.754 . 0 0 "[ . 1 . 2]" 1
1145 1 54 VAL HA 1 57 SER H . . 4.030 3.802 3.567 4.090 0.060 1 0 "[ . 1 . 2]" 1
1146 1 54 VAL HA 1 57 SER HB2 . . 4.350 3.675 2.813 4.367 0.017 10 0 "[ . 1 . 2]" 1
1147 1 54 VAL HA 1 57 SER HB3 . . 4.220 3.776 3.208 4.426 0.206 12 0 "[ . 1 . 2]" 1
1148 1 54 VAL HA 1 58 LEU H . . 4.740 4.156 3.839 4.575 . 0 0 "[ . 1 . 2]" 1
1149 1 54 VAL HB 1 55 VAL H . . 3.970 3.888 3.757 4.019 0.049 4 0 "[ . 1 . 2]" 1
1150 1 54 VAL HB 1 55 VAL MG2 . . 4.400 4.504 4.485 4.521 0.121 16 0 "[ . 1 . 2]" 1
1151 1 54 VAL HB 1 58 LEU MD1 . . 5.500 4.417 4.131 4.800 . 0 0 "[ . 1 . 2]" 1
1152 1 54 VAL MG1 1 55 VAL H . . 5.500 2.011 1.908 2.188 . 0 0 "[ . 1 . 2]" 1
1153 1 54 VAL MG1 1 55 VAL HB . . 4.900 4.262 3.930 4.467 . 0 0 "[ . 1 . 2]" 1
1154 1 54 VAL MG2 1 55 VAL H . . 4.610 2.888 2.486 3.681 . 0 0 "[ . 1 . 2]" 1
1155 1 54 VAL MG2 1 55 VAL HA . . 4.220 3.365 3.030 3.989 . 0 0 "[ . 1 . 2]" 1
1156 1 54 VAL MG2 1 55 VAL MG2 . . 4.560 2.893 2.391 3.958 . 0 0 "[ . 1 . 2]" 1
1157 1 54 VAL MG2 1 58 LEU H . . 5.500 4.077 3.839 4.436 . 0 0 "[ . 1 . 2]" 1
1158 1 54 VAL MG2 1 58 LEU QB . . 5.070 3.773 3.511 4.232 . 0 0 "[ . 1 . 2]" 1
1159 1 54 VAL MG2 1 58 LEU MD1 . . 2.680 2.055 1.899 2.290 . 0 0 "[ . 1 . 2]" 1
1160 1 54 VAL MG2 1 58 LEU MD2 . . 3.600 3.413 3.131 3.717 0.117 1 0 "[ . 1 . 2]" 1
1161 1 55 VAL H 1 55 VAL HB . . 3.170 2.911 2.695 3.014 . 0 0 "[ . 1 . 2]" 1
1162 1 55 VAL H 1 55 VAL MG2 . . 3.430 1.761 1.687 1.858 . 0 0 "[ . 1 . 2]" 1
1163 1 55 VAL H 1 58 LEU H . . 5.500 4.799 4.649 5.229 . 0 0 "[ . 1 . 2]" 1
1164 1 55 VAL H 1 58 LEU MD1 . . 5.500 4.257 3.866 4.624 . 0 0 "[ . 1 . 2]" 1
1165 1 55 VAL H 1 75 ALA MB . . 5.500 4.359 4.103 4.894 . 0 0 "[ . 1 . 2]" 1
1166 1 55 VAL HA 1 55 VAL MG1 . . 3.110 2.227 2.149 2.405 . 0 0 "[ . 1 . 2]" 1
1167 1 55 VAL HA 1 55 VAL MG2 . . 3.080 2.710 2.550 2.860 . 0 0 "[ . 1 . 2]" 1
1168 1 55 VAL HA 1 57 SER H . . 5.200 4.276 3.506 4.571 . 0 0 "[ . 1 . 2]" 1
1169 1 55 VAL HA 1 58 LEU H . . 4.060 3.340 2.879 3.771 . 0 0 "[ . 1 . 2]" 1
1170 1 55 VAL HA 1 58 LEU QB . . 3.670 2.605 2.263 2.841 . 0 0 "[ . 1 . 2]" 1
1171 1 55 VAL HA 1 58 LEU MD1 . . 3.470 3.006 2.579 3.331 . 0 0 "[ . 1 . 2]" 1
1172 1 55 VAL HA 1 58 LEU HG . . 4.340 3.821 3.488 4.173 . 0 0 "[ . 1 . 2]" 1
1173 1 55 VAL HA 1 59 VAL H . . 4.730 3.365 3.150 3.545 . 0 0 "[ . 1 . 2]" 1
1174 1 55 VAL HA 1 59 VAL HB . . 4.180 4.276 4.267 4.282 0.102 6 0 "[ . 1 . 2]" 1
1175 1 55 VAL HA 1 59 VAL MG1 . . 5.390 5.412 5.334 5.494 0.104 4 0 "[ . 1 . 2]" 1
1176 1 55 VAL HA 1 78 THR MG . . 5.500 4.882 4.455 5.312 . 0 0 "[ . 1 . 2]" 1
1177 1 55 VAL HA 1 79 LEU MD2 . . 4.260 4.034 3.630 4.358 0.098 18 0 "[ . 1 . 2]" 1
1178 1 55 VAL HB 1 56 GLN H . . 3.200 2.704 2.513 3.088 . 0 0 "[ . 1 . 2]" 1
1179 1 55 VAL HB 1 59 VAL H . . 5.440 5.283 5.022 5.495 0.055 5 0 "[ . 1 . 2]" 1
1180 1 55 VAL HB 1 78 THR HB . . 3.420 3.100 2.783 3.477 0.057 6 0 "[ . 1 . 2]" 1
1181 1 55 VAL HB 1 78 THR MG . . 3.660 2.532 2.120 2.905 . 0 0 "[ . 1 . 2]" 1
1182 1 55 VAL HB 1 79 LEU MD2 . . 5.280 4.750 4.201 5.119 . 0 0 "[ . 1 . 2]" 1
1183 1 55 VAL MG1 1 56 GLN H . . 4.020 3.902 3.648 4.096 0.076 7 0 "[ . 1 . 2]" 1
1184 1 55 VAL MG1 1 56 GLN HA . . 4.480 4.297 3.837 4.551 0.071 17 0 "[ . 1 . 2]" 1
1185 1 55 VAL MG1 1 56 GLN QB . . 5.320 5.264 5.044 5.407 0.087 4 0 "[ . 1 . 2]" 1
1186 1 55 VAL MG1 1 59 VAL H . . 5.470 3.834 3.344 4.076 . 0 0 "[ . 1 . 2]" 1
1187 1 55 VAL MG1 1 59 VAL HB . . 4.580 3.663 3.406 3.819 . 0 0 "[ . 1 . 2]" 1
1188 1 55 VAL MG1 1 59 VAL MG2 . . 3.520 2.111 1.999 2.271 . 0 0 "[ . 1 . 2]" 1
1189 1 55 VAL MG1 1 75 ALA HA . . 5.370 4.315 3.928 4.712 . 0 0 "[ . 1 . 2]" 1
1190 1 55 VAL MG1 1 78 THR HB . . 4.220 2.348 2.130 2.649 . 0 0 "[ . 1 . 2]" 1
1191 1 55 VAL MG1 1 78 THR MG . . 3.820 2.522 2.106 3.075 . 0 0 "[ . 1 . 2]" 1
1192 1 55 VAL MG1 1 79 LEU H . . 4.250 3.624 3.292 3.865 . 0 0 "[ . 1 . 2]" 1
1193 1 55 VAL MG1 1 79 LEU HA . . 3.420 2.787 2.438 3.070 . 0 0 "[ . 1 . 2]" 1
1194 1 55 VAL MG1 1 79 LEU MD2 . . 2.910 2.252 2.003 2.603 . 0 0 "[ . 1 . 2]" 1
1195 1 55 VAL MG1 1 79 LEU HG . . 4.440 2.914 2.469 3.614 . 0 0 "[ . 1 . 2]" 1
1196 1 55 VAL MG1 1 82 ALA H . . 5.500 4.700 4.091 5.210 . 0 0 "[ . 1 . 2]" 1
1197 1 55 VAL MG1 1 82 ALA MB . . 4.400 3.541 3.141 4.117 . 0 0 "[ . 1 . 2]" 1
1198 1 55 VAL MG2 1 56 GLN H . . 5.220 3.570 3.317 3.822 . 0 0 "[ . 1 . 2]" 1
1199 1 55 VAL MG2 1 56 GLN QB . . 5.500 5.071 4.695 5.561 0.061 11 0 "[ . 1 . 2]" 1
1200 1 55 VAL MG2 1 56 GLN QG . . 5.190 5.257 5.078 5.313 0.123 16 0 "[ . 1 . 2]" 1
1201 1 55 VAL MG2 1 75 ALA HA . . 3.470 2.773 2.295 3.143 . 0 0 "[ . 1 . 2]" 1
1202 1 55 VAL MG2 1 75 ALA MB . . 3.330 2.271 2.070 2.588 . 0 0 "[ . 1 . 2]" 1
1203 1 55 VAL MG2 1 76 PHE H . . 5.500 5.214 4.938 5.587 0.087 7 0 "[ . 1 . 2]" 1
1204 1 55 VAL MG2 1 78 THR H . . 5.500 4.315 3.949 4.749 . 0 0 "[ . 1 . 2]" 1
1205 1 55 VAL MG2 1 78 THR HA . . 5.500 5.055 4.817 5.469 . 0 0 "[ . 1 . 2]" 1
1206 1 55 VAL MG2 1 78 THR HB . . 3.310 2.404 2.149 2.834 . 0 0 "[ . 1 . 2]" 1
1207 1 55 VAL MG2 1 79 LEU H . . 4.910 4.339 3.861 4.778 . 0 0 "[ . 1 . 2]" 1
1208 1 55 VAL MG2 1 79 LEU HA . . 4.980 4.463 4.022 5.058 0.078 16 0 "[ . 1 . 2]" 1
1209 1 55 VAL MG2 1 79 LEU MD1 . . 3.920 3.881 3.480 4.042 0.122 6 0 "[ . 1 . 2]" 1
1210 1 55 VAL MG2 1 79 LEU MD2 . . 3.730 3.181 2.302 3.596 . 0 0 "[ . 1 . 2]" 1
1211 1 55 VAL MG2 1 79 LEU HG . . 3.620 3.241 2.905 3.585 . 0 0 "[ . 1 . 2]" 1
1212 1 56 GLN H 1 56 GLN QB . . 3.090 2.203 1.982 2.479 . 0 0 "[ . 1 . 2]" 1
1213 1 56 GLN H 1 56 GLN QG . . 3.800 2.978 2.681 3.244 . 0 0 "[ . 1 . 2]" 1
1214 1 56 GLN H 1 57 SER H . . 3.330 3.008 2.895 3.179 . 0 0 "[ . 1 . 2]" 1
1215 1 56 GLN H 1 59 VAL H . . 5.290 4.930 4.854 5.094 . 0 0 "[ . 1 . 2]" 1
1216 1 56 GLN H 1 59 VAL MG1 . . 5.470 5.520 5.305 5.568 0.098 14 0 "[ . 1 . 2]" 1
1217 1 56 GLN H 1 78 THR MG . . 5.500 4.104 3.623 4.384 . 0 0 "[ . 1 . 2]" 1
1218 1 56 GLN HA 1 56 GLN QG . . 3.780 2.292 2.028 3.460 . 0 0 "[ . 1 . 2]" 1
1219 1 56 GLN HA 1 59 VAL HB . . 3.130 2.983 2.660 3.181 0.051 4 0 "[ . 1 . 2]" 1
1220 1 56 GLN HA 1 59 VAL MG1 . . 3.670 3.641 3.444 3.773 0.103 15 0 "[ . 1 . 2]" 1
1221 1 56 GLN HA 1 60 SER H . . 4.690 4.404 4.055 4.768 0.078 17 0 "[ . 1 . 2]" 1
1222 1 56 GLN HA 1 78 THR MG . . 4.620 4.522 3.943 4.725 0.105 4 0 "[ . 1 . 2]" 1
1223 1 56 GLN QB 1 57 SER H . . 3.690 2.796 2.499 3.564 . 0 0 "[ . 1 . 2]" 1
1224 1 56 GLN QB 1 78 THR MG . . 5.500 4.983 4.409 5.338 . 0 0 "[ . 1 . 2]" 1
1225 1 56 GLN QG 1 57 SER H . . 5.200 4.386 2.123 4.796 . 0 0 "[ . 1 . 2]" 1
1226 1 57 SER H 1 57 SER HB2 . . 3.300 2.370 2.076 3.552 0.252 13 0 "[ . 1 . 2]" 1
1227 1 57 SER H 1 57 SER HB3 . . 3.590 2.887 2.459 3.506 . 0 0 "[ . 1 . 2]" 1
1228 1 57 SER H 1 58 LEU H . . 3.340 2.704 2.153 2.949 . 0 0 "[ . 1 . 2]" 1
1229 1 57 SER H 1 58 LEU QB . . 5.000 4.702 3.879 4.877 . 0 0 "[ . 1 . 2]" 1
1230 1 57 SER H 1 58 LEU MD1 . . 5.500 5.320 4.926 5.577 0.077 12 0 "[ . 1 . 2]" 1
1231 1 57 SER H 1 58 LEU HG . . 5.210 4.444 3.943 4.842 . 0 0 "[ . 1 . 2]" 1
1232 1 57 SER H 1 59 VAL H . . 4.740 4.194 3.411 4.423 . 0 0 "[ . 1 . 2]" 1
1233 1 57 SER H 1 60 SER H . . 5.220 4.656 4.040 5.018 . 0 0 "[ . 1 . 2]" 1
1234 1 57 SER HA 1 59 VAL H . . 5.500 4.609 4.468 4.721 . 0 0 "[ . 1 . 2]" 1
1235 1 57 SER HA 1 59 VAL HB . . 5.110 5.181 5.076 5.202 0.092 1 0 "[ . 1 . 2]" 1
1236 1 57 SER HA 1 60 SER H . . 4.310 3.415 3.151 3.746 . 0 0 "[ . 1 . 2]" 1
1237 1 57 SER HA 1 60 SER QB . . 3.590 2.674 2.224 3.225 . 0 0 "[ . 1 . 2]" 1
1238 1 57 SER HA 1 61 LYS H . . 5.500 4.946 4.452 5.546 0.046 5 0 "[ . 1 . 2]" 1
1239 1 57 SER HA 1 61 LYS QD . . 4.140 4.010 3.462 4.240 0.100 11 0 "[ . 1 . 2]" 1
1240 1 57 SER HB2 1 58 LEU H . . 4.010 3.335 2.338 3.829 . 0 0 "[ . 1 . 2]" 1
1241 1 57 SER HB2 1 61 LYS QD . . 5.500 4.927 3.404 5.562 0.062 19 0 "[ . 1 . 2]" 1
1242 1 57 SER HB3 1 58 LEU H . . 4.570 2.678 2.218 3.852 . 0 0 "[ . 1 . 2]" 1
1243 1 57 SER HB3 1 58 LEU QB . . 5.500 4.671 4.406 5.974 0.474 13 0 "[ . 1 . 2]" 1
1244 1 58 LEU H 1 58 LEU QB . . 3.230 2.447 2.352 2.567 . 0 0 "[ . 1 . 2]" 1
1245 1 58 LEU H 1 58 LEU MD1 . . 5.080 3.565 3.368 3.746 . 0 0 "[ . 1 . 2]" 1
1246 1 58 LEU H 1 58 LEU MD2 . . 4.330 3.335 3.101 3.597 . 0 0 "[ . 1 . 2]" 1
1247 1 58 LEU H 1 58 LEU HG . . 3.230 2.249 1.926 2.440 . 0 0 "[ . 1 . 2]" 1
1248 1 58 LEU H 1 59 VAL H . . 3.290 2.724 2.426 2.898 . 0 0 "[ . 1 . 2]" 1
1249 1 58 LEU H 1 59 VAL HB . . 5.500 4.382 4.060 4.615 . 0 0 "[ . 1 . 2]" 1
1250 1 58 LEU H 1 60 SER H . . 5.210 4.069 3.760 4.250 . 0 0 "[ . 1 . 2]" 1
1251 1 58 LEU H 1 61 LYS QD . . 4.920 4.470 4.097 5.012 0.092 1 0 "[ . 1 . 2]" 1
1252 1 58 LEU HA 1 58 LEU MD2 . . 2.880 2.131 1.991 2.207 . 0 0 "[ . 1 . 2]" 1
1253 1 58 LEU HA 1 58 LEU HG . . 4.150 3.127 2.818 3.248 . 0 0 "[ . 1 . 2]" 1
1254 1 58 LEU HA 1 61 LYS H . . 4.140 3.414 3.157 3.706 . 0 0 "[ . 1 . 2]" 1
1255 1 58 LEU HA 1 61 LYS HB2 . . 3.880 2.937 2.398 3.509 . 0 0 "[ . 1 . 2]" 1
1256 1 58 LEU HA 1 61 LYS HB3 . . 5.020 4.590 3.983 5.079 0.059 10 0 "[ . 1 . 2]" 1
1257 1 58 LEU HA 1 61 LYS QD . . 5.500 2.767 2.258 3.895 . 0 0 "[ . 1 . 2]" 1
1258 1 58 LEU HA 1 63 VAL MG2 . . 3.930 3.051 2.640 3.466 . 0 0 "[ . 1 . 2]" 1
1259 1 58 LEU QB 1 59 VAL H . . 3.450 2.517 2.398 2.692 . 0 0 "[ . 1 . 2]" 1
1260 1 58 LEU QB 1 59 VAL HA . . 5.150 4.026 3.884 4.163 . 0 0 "[ . 1 . 2]" 1
1261 1 58 LEU QB 1 60 SER H . . 5.400 4.665 4.509 4.838 . 0 0 "[ . 1 . 2]" 1
1262 1 58 LEU QB 1 61 LYS H . . 5.200 4.573 4.469 4.694 . 0 0 "[ . 1 . 2]" 1
1263 1 58 LEU QB 1 63 VAL H . . 4.970 4.337 4.052 4.765 . 0 0 "[ . 1 . 2]" 1
1264 1 58 LEU MD1 1 59 VAL H . . 5.500 4.458 4.241 4.671 . 0 0 "[ . 1 . 2]" 1
1265 1 58 LEU MD1 1 66 LEU MD1 . . 3.980 3.718 3.466 4.059 0.079 16 0 "[ . 1 . 2]" 1
1266 1 58 LEU MD2 1 61 LYS H . . 5.500 5.035 4.759 5.362 . 0 0 "[ . 1 . 2]" 1
1267 1 58 LEU MD2 1 61 LYS HB2 . . 5.500 3.962 3.351 4.543 . 0 0 "[ . 1 . 2]" 1
1268 1 58 LEU MD2 1 61 LYS QD . . 4.630 3.230 2.813 4.269 . 0 0 "[ . 1 . 2]" 1
1269 1 58 LEU MD2 1 63 VAL HB . . 5.500 4.431 3.802 5.309 . 0 0 "[ . 1 . 2]" 1
1270 1 58 LEU MD2 1 63 VAL MG1 . . 4.500 3.637 2.810 4.452 . 0 0 "[ . 1 . 2]" 1
1271 1 58 LEU MD2 1 63 VAL MG2 . . 3.900 2.794 2.271 3.601 . 0 0 "[ . 1 . 2]" 1
1272 1 58 LEU HG 1 59 VAL H . . 4.840 4.361 4.165 4.479 . 0 0 "[ . 1 . 2]" 1
1273 1 59 VAL H 1 59 VAL HB . . 3.060 2.070 1.973 2.138 . 0 0 "[ . 1 . 2]" 1
1274 1 59 VAL H 1 59 VAL MG1 . . 3.570 3.601 3.505 3.637 0.067 1 0 "[ . 1 . 2]" 1
1275 1 59 VAL H 1 60 SER H . . 3.450 2.765 2.660 2.852 . 0 0 "[ . 1 . 2]" 1
1276 1 59 VAL H 1 61 LYS H . . 5.190 4.014 3.778 4.204 . 0 0 "[ . 1 . 2]" 1
1277 1 59 VAL H 1 63 VAL H . . 5.500 4.895 4.721 5.285 . 0 0 "[ . 1 . 2]" 1
1278 1 59 VAL HA 1 59 VAL MG1 . . 2.920 2.694 2.614 2.878 . 0 0 "[ . 1 . 2]" 1
1279 1 59 VAL HA 1 59 VAL MG2 . . 3.120 2.236 2.103 2.320 . 0 0 "[ . 1 . 2]" 1
1280 1 59 VAL HA 1 61 LYS H . . 4.670 3.758 3.394 4.197 . 0 0 "[ . 1 . 2]" 1
1281 1 59 VAL HA 1 62 GLY H . . 4.310 4.018 3.694 4.260 . 0 0 "[ . 1 . 2]" 1
1282 1 59 VAL HA 1 63 VAL H . . 3.590 3.025 2.795 3.427 . 0 0 "[ . 1 . 2]" 1
1283 1 59 VAL HA 1 63 VAL HB . . 3.950 3.189 2.674 4.014 0.064 4 0 "[ . 1 . 2]" 1
1284 1 59 VAL HA 1 82 ALA MB . . 5.500 3.930 3.326 4.198 . 0 0 "[ . 1 . 2]" 1
1285 1 59 VAL HB 1 60 SER H . . 3.390 2.870 2.702 3.115 . 0 0 "[ . 1 . 2]" 1
1286 1 59 VAL HB 1 60 SER HA . . 4.790 4.855 4.816 4.876 0.086 4 0 "[ . 1 . 2]" 1
1287 1 59 VAL HB 1 82 ALA MB . . 4.280 4.172 3.891 4.387 0.107 4 0 "[ . 1 . 2]" 1
1288 1 59 VAL MG1 1 60 SER H . . 3.320 3.213 2.696 3.407 0.087 18 0 "[ . 1 . 2]" 1
1289 1 59 VAL MG1 1 82 ALA MB . . 3.710 2.440 2.048 3.553 . 0 0 "[ . 1 . 2]" 1
1290 1 59 VAL MG2 1 60 SER H . . 4.380 4.155 4.060 4.297 . 0 0 "[ . 1 . 2]" 1
1291 1 59 VAL MG2 1 62 GLY HA2 . . 5.500 5.522 5.211 5.595 0.095 7 0 "[ . 1 . 2]" 1
1292 1 60 SER H 1 60 SER QB . . 3.160 2.286 1.991 2.582 . 0 0 "[ . 1 . 2]" 1
1293 1 60 SER H 1 61 LYS H . . 3.390 2.736 2.445 2.923 . 0 0 "[ . 1 . 2]" 1
1294 1 60 SER H 1 61 LYS HA . . 5.500 5.372 5.184 5.498 . 0 0 "[ . 1 . 2]" 1
1295 1 60 SER H 1 61 LYS HB2 . . 5.470 4.981 4.573 5.545 0.075 13 0 "[ . 1 . 2]" 1
1296 1 60 SER H 1 61 LYS HG3 . . 5.500 5.148 4.271 5.581 0.081 18 0 "[ . 1 . 2]" 1
1297 1 60 SER H 1 62 GLY H . . 4.960 4.494 4.234 4.669 . 0 0 "[ . 1 . 2]" 1
1298 1 60 SER HA 1 62 GLY H . . 4.140 3.507 3.182 3.772 . 0 0 "[ . 1 . 2]" 1
1299 1 60 SER QB 1 61 LYS H . . 4.110 3.240 2.819 3.675 . 0 0 "[ . 1 . 2]" 1
1300 1 60 SER QB 1 61 LYS HG3 . . 4.240 3.746 2.802 4.367 0.127 1 0 "[ . 1 . 2]" 1
1301 1 60 SER QB 1 62 GLY H . . 4.720 4.682 4.377 4.814 0.094 4 0 "[ . 1 . 2]" 1
1302 1 61 LYS H 1 61 LYS HB2 . . 3.210 2.576 2.305 3.130 . 0 0 "[ . 1 . 2]" 1
1303 1 61 LYS H 1 61 LYS HB3 . . 3.980 3.699 3.579 3.864 . 0 0 "[ . 1 . 2]" 1
1304 1 61 LYS H 1 61 LYS QD . . 4.200 3.286 2.231 4.291 0.091 1 0 "[ . 1 . 2]" 1
1305 1 61 LYS H 1 61 LYS HG3 . . 3.730 3.325 2.683 3.800 0.070 4 0 "[ . 1 . 2]" 1
1306 1 61 LYS H 1 62 GLY H . . 3.330 2.712 2.286 3.007 . 0 0 "[ . 1 . 2]" 1
1307 1 61 LYS H 1 62 GLY HA2 . . 4.780 4.652 4.159 4.860 0.080 16 0 "[ . 1 . 2]" 1
1308 1 61 LYS H 1 62 GLY HA3 . . 5.500 5.098 4.750 5.355 . 0 0 "[ . 1 . 2]" 1
1309 1 61 LYS H 1 63 VAL H . . 3.790 3.446 3.167 3.825 0.035 7 0 "[ . 1 . 2]" 1
1310 1 61 LYS H 1 63 VAL HB . . 5.170 4.527 4.179 4.937 . 0 0 "[ . 1 . 2]" 1
1311 1 61 LYS H 1 63 VAL MG2 . . 5.490 3.724 3.259 3.990 . 0 0 "[ . 1 . 2]" 1
1312 1 61 LYS HA 1 61 LYS QD . . 4.100 3.851 3.507 4.197 0.097 8 0 "[ . 1 . 2]" 1
1313 1 61 LYS HA 1 61 LYS HG2 . . 3.780 3.171 2.628 3.692 . 0 0 "[ . 1 . 2]" 1
1314 1 61 LYS HA 1 61 LYS HG3 . . 3.290 2.675 2.204 3.855 0.565 1 2 "[+ . 1 - . 2]" 1
1315 1 61 LYS HB2 1 61 LYS QD . . 3.630 2.361 2.167 3.445 . 0 0 "[ . 1 . 2]" 1
1316 1 61 LYS HB2 1 62 GLY H . . 5.010 4.222 4.078 4.300 . 0 0 "[ . 1 . 2]" 1
1317 1 61 LYS HB2 1 63 VAL H . . 4.870 3.918 3.717 4.343 . 0 0 "[ . 1 . 2]" 1
1318 1 61 LYS HB2 1 63 VAL MG2 . . 4.450 2.692 2.301 3.168 . 0 0 "[ . 1 . 2]" 1
1319 1 61 LYS HB3 1 61 LYS QD . . 3.890 3.035 2.493 3.335 . 0 0 "[ . 1 . 2]" 1
1320 1 61 LYS HB3 1 61 LYS QE . . 4.750 3.654 2.168 4.381 . 0 0 "[ . 1 . 2]" 1
1321 1 61 LYS HB3 1 62 GLY H . . 5.210 4.513 4.423 4.691 . 0 0 "[ . 1 . 2]" 1
1322 1 61 LYS HB3 1 63 VAL MG2 . . 5.250 3.417 2.555 4.536 . 0 0 "[ . 1 . 2]" 1
1323 1 61 LYS QE 1 61 LYS HG2 . . 3.820 2.539 2.168 3.351 . 0 0 "[ . 1 . 2]" 1
1324 1 61 LYS QE 1 61 LYS HG3 . . 3.570 2.973 2.388 3.531 . 0 0 "[ . 1 . 2]" 1
1325 1 61 LYS HG3 1 62 GLY H . . 5.500 4.918 4.741 5.118 . 0 0 "[ . 1 . 2]" 1
1326 1 62 GLY H 1 63 VAL H . . 3.400 3.022 2.864 3.161 . 0 0 "[ . 1 . 2]" 1
1327 1 62 GLY H 1 63 VAL HB . . 5.200 5.103 4.865 5.261 0.061 18 0 "[ . 1 . 2]" 1
1328 1 62 GLY HA2 1 63 VAL HB . . 5.500 5.178 5.035 5.387 . 0 0 "[ . 1 . 2]" 1
1329 1 62 GLY HA3 1 63 VAL HA . . 5.280 4.610 4.430 4.754 . 0 0 "[ . 1 . 2]" 1
1330 1 63 VAL H 1 63 VAL HB . . 2.920 2.287 2.153 2.375 . 0 0 "[ . 1 . 2]" 1
1331 1 63 VAL H 1 63 VAL MG1 . . 3.890 3.700 3.597 3.748 . 0 0 "[ . 1 . 2]" 1
1332 1 63 VAL H 1 63 VAL MG2 . . 3.400 2.310 2.149 2.431 . 0 0 "[ . 1 . 2]" 1
1333 1 63 VAL H 1 64 GLU H . . 4.730 4.380 4.132 4.659 . 0 0 "[ . 1 . 2]" 1
1334 1 63 VAL HA 1 63 VAL MG1 . . 3.320 2.568 2.492 2.796 . 0 0 "[ . 1 . 2]" 1
1335 1 63 VAL HA 1 63 VAL MG2 . . 3.010 2.307 2.137 2.404 . 0 0 "[ . 1 . 2]" 1
1336 1 63 VAL HA 1 64 GLU H . . 2.790 2.203 2.041 2.371 . 0 0 "[ . 1 . 2]" 1
1337 1 63 VAL HA 1 64 GLU HA . . 5.500 4.513 4.432 4.601 . 0 0 "[ . 1 . 2]" 1
1338 1 63 VAL HA 1 64 GLU HG2 . . 5.110 4.846 4.303 5.178 0.068 14 0 "[ . 1 . 2]" 1
1339 1 63 VAL HA 1 64 GLU HG3 . . 5.080 4.748 4.043 5.189 0.109 11 0 "[ . 1 . 2]" 1
1340 1 63 VAL HA 1 65 TYR H . . 3.960 3.734 3.427 4.010 0.050 13 0 "[ . 1 . 2]" 1
1341 1 63 VAL HB 1 64 GLU H . . 4.660 4.521 4.319 4.636 . 0 0 "[ . 1 . 2]" 1
1342 1 63 VAL HB 1 64 GLU HA . . 5.500 5.187 4.815 5.415 . 0 0 "[ . 1 . 2]" 1
1343 1 63 VAL MG1 1 64 GLU H . . 4.210 3.326 2.721 3.838 . 0 0 "[ . 1 . 2]" 1
1344 1 63 VAL MG1 1 64 GLU HA . . 4.340 3.955 3.515 4.410 0.070 12 0 "[ . 1 . 2]" 1
1345 1 63 VAL MG1 1 65 TYR H . . 3.680 2.279 1.970 2.570 . 0 0 "[ . 1 . 2]" 1
1346 1 63 VAL MG1 1 65 TYR HA . . 5.500 4.444 4.236 4.620 . 0 0 "[ . 1 . 2]" 1
1347 1 63 VAL MG1 1 65 TYR HB2 . . 3.990 3.883 3.530 4.113 0.123 15 0 "[ . 1 . 2]" 1
1348 1 63 VAL MG1 1 66 LEU HA . . 5.500 3.863 3.593 4.121 . 0 0 "[ . 1 . 2]" 1
1349 1 63 VAL MG1 1 79 LEU MD2 . . 4.610 4.008 3.252 4.257 . 0 0 "[ . 1 . 2]" 1
1350 1 63 VAL MG1 1 84 VAL HA . . 5.500 4.790 4.163 5.113 . 0 0 "[ . 1 . 2]" 1
1351 1 63 VAL MG1 1 84 VAL MG1 . . 4.010 2.383 2.107 2.757 . 0 0 "[ . 1 . 2]" 1
1352 1 63 VAL MG1 1 84 VAL MG2 . . 3.710 3.479 2.517 3.796 0.086 6 0 "[ . 1 . 2]" 1
1353 1 63 VAL MG2 1 65 TYR H . . 4.860 4.551 4.320 4.741 . 0 0 "[ . 1 . 2]" 1
1354 1 63 VAL MG2 1 84 VAL MG1 . . 4.850 4.663 4.380 4.971 0.121 6 0 "[ . 1 . 2]" 1
1355 1 64 GLU H 1 64 GLU HB2 . . 3.550 2.440 2.049 2.896 . 0 0 "[ . 1 . 2]" 1
1356 1 64 GLU H 1 64 GLU HB3 . . 3.960 3.618 3.404 3.907 . 0 0 "[ . 1 . 2]" 1
1357 1 64 GLU H 1 64 GLU HG2 . . 4.070 3.483 2.903 3.984 . 0 0 "[ . 1 . 2]" 1
1358 1 64 GLU H 1 64 GLU HG3 . . 4.270 3.262 2.245 4.131 . 0 0 "[ . 1 . 2]" 1
1359 1 64 GLU H 1 65 TYR H . . 3.030 2.875 2.441 3.095 0.065 3 0 "[ . 1 . 2]" 1
1360 1 64 GLU H 1 65 TYR HA . . 5.500 5.074 4.766 5.413 . 0 0 "[ . 1 . 2]" 1
1361 1 64 GLU HA 1 64 GLU HG2 . . 3.790 2.455 2.153 2.846 . 0 0 "[ . 1 . 2]" 1
1362 1 64 GLU HA 1 64 GLU HG3 . . 3.740 3.525 3.178 3.752 0.012 12 0 "[ . 1 . 2]" 1
1363 1 64 GLU HA 1 84 VAL HA . . 4.240 2.613 2.189 3.034 . 0 0 "[ . 1 . 2]" 1
1364 1 64 GLU HA 1 84 VAL MG1 . . 4.050 2.842 2.018 3.717 . 0 0 "[ . 1 . 2]" 1
1365 1 64 GLU HA 1 84 VAL MG2 . . 3.450 2.602 2.020 3.174 . 0 0 "[ . 1 . 2]" 1
1366 1 64 GLU HB2 1 64 GLU HG3 . . 2.980 2.299 2.181 2.447 . 0 0 "[ . 1 . 2]" 1
1367 1 64 GLU HB2 1 65 TYR H . . 4.230 4.208 4.037 4.298 0.068 16 0 "[ . 1 . 2]" 1
1368 1 64 GLU HB2 1 65 TYR QD . . 3.800 3.556 2.536 3.900 0.100 2 0 "[ . 1 . 2]" 1
1369 1 64 GLU HB2 1 65 TYR QE . . 4.950 4.825 4.072 5.203 0.253 5 0 "[ . 1 . 2]" 1
1370 1 64 GLU HB2 1 84 VAL MG1 . . 5.500 5.030 4.460 5.542 0.042 1 0 "[ . 1 . 2]" 1
1371 1 64 GLU HB3 1 65 TYR H . . 5.000 4.479 4.315 4.636 . 0 0 "[ . 1 . 2]" 1
1372 1 64 GLU HB3 1 65 TYR QD . . 4.160 4.147 3.330 4.274 0.114 3 0 "[ . 1 . 2]" 1
1373 1 64 GLU HB3 1 84 VAL MG2 . . 5.500 4.693 3.548 5.518 0.018 11 0 "[ . 1 . 2]" 1
1374 1 65 TYR H 1 65 TYR HB3 . . 3.750 3.691 3.374 3.829 0.079 14 0 "[ . 1 . 2]" 1
1375 1 65 TYR H 1 66 LEU H . . 5.010 4.239 4.027 4.364 . 0 0 "[ . 1 . 2]" 1
1376 1 65 TYR H 1 84 VAL MG1 . . 4.250 2.143 1.906 2.388 . 0 0 "[ . 1 . 2]" 1
1377 1 65 TYR H 1 86 VAL MG2 . . 5.500 5.602 5.569 5.626 0.126 16 0 "[ . 1 . 2]" 1
1378 1 65 TYR HA 1 65 TYR QD . . 3.540 2.664 2.116 3.118 . 0 0 "[ . 1 . 2]" 1
1379 1 65 TYR HA 1 66 LEU H . . 2.820 2.441 2.275 2.606 . 0 0 "[ . 1 . 2]" 1
1380 1 65 TYR HA 1 66 LEU HA . . 5.380 4.634 4.554 4.764 . 0 0 "[ . 1 . 2]" 1
1381 1 65 TYR HA 1 66 LEU HB2 . . 5.210 4.577 4.378 4.819 . 0 0 "[ . 1 . 2]" 1
1382 1 65 TYR HA 1 66 LEU HB3 . . 5.500 4.079 3.929 4.302 . 0 0 "[ . 1 . 2]" 1
1383 1 65 TYR HA 1 84 VAL HA . . 4.660 3.922 3.409 4.686 0.026 19 0 "[ . 1 . 2]" 1
1384 1 65 TYR HA 1 84 VAL MG1 . . 3.440 2.976 2.658 3.359 . 0 0 "[ . 1 . 2]" 1
1385 1 65 TYR HA 1 85 LYS H . . 3.540 2.520 2.275 2.941 . 0 0 "[ . 1 . 2]" 1
1386 1 65 TYR HA 1 85 LYS HA . . 5.500 4.290 4.175 4.511 . 0 0 "[ . 1 . 2]" 1
1387 1 65 TYR HA 1 85 LYS QB . . 4.850 2.710 2.111 3.264 . 0 0 "[ . 1 . 2]" 1
1388 1 65 TYR HA 1 86 VAL HA . . 5.270 4.350 4.151 4.515 . 0 0 "[ . 1 . 2]" 1
1389 1 65 TYR HB2 1 66 LEU H . . 3.660 3.840 3.594 4.305 0.645 6 5 "[ *+ * - . * 2]" 1
1390 1 65 TYR HB2 1 66 LEU HB2 . . 5.500 5.709 5.509 6.254 0.754 8 4 "[ * + * . - 2]" 1
1391 1 65 TYR HB3 1 66 LEU H . . 4.950 2.587 2.212 3.349 . 0 0 "[ . 1 . 2]" 1
1392 1 65 TYR QD 1 66 LEU H . . 5.500 3.054 2.291 4.298 . 0 0 "[ . 1 . 2]" 1
1393 1 65 TYR QD 1 85 LYS H . . 4.840 3.862 2.838 4.601 . 0 0 "[ . 1 . 2]" 1
1394 1 65 TYR QD 1 85 LYS QB . . 3.610 2.453 2.095 3.123 . 0 0 "[ . 1 . 2]" 1
1395 1 65 TYR QD 1 85 LYS HG2 . . 5.460 4.455 2.707 5.408 . 0 0 "[ . 1 . 2]" 1
1396 1 65 TYR QD 1 86 VAL H . . 5.500 5.258 4.250 5.597 0.097 10 0 "[ . 1 . 2]" 1
1397 1 65 TYR QD 1 101 PHE QE . . 4.090 3.635 2.783 4.200 0.110 12 0 "[ . 1 . 2]" 1
1398 1 65 TYR QE 1 101 PHE QE . . 4.070 2.984 2.158 3.910 . 0 0 "[ . 1 . 2]" 1
1399 1 66 LEU H 1 66 LEU HB2 . . 3.770 3.587 3.465 3.759 . 0 0 "[ . 1 . 2]" 1
1400 1 66 LEU H 1 66 LEU HB3 . . 3.400 2.870 2.708 3.129 . 0 0 "[ . 1 . 2]" 1
1401 1 66 LEU H 1 66 LEU MD2 . . 5.500 4.696 4.509 4.941 . 0 0 "[ . 1 . 2]" 1
1402 1 66 LEU H 1 66 LEU HG . . 5.500 4.243 4.074 4.382 . 0 0 "[ . 1 . 2]" 1
1403 1 66 LEU H 1 67 ILE H . . 5.470 4.204 3.933 4.353 . 0 0 "[ . 1 . 2]" 1
1404 1 66 LEU H 1 67 ILE HA . . 5.500 4.624 4.436 4.756 . 0 0 "[ . 1 . 2]" 1
1405 1 66 LEU H 1 84 VAL MG1 . . 3.990 3.888 3.293 4.101 0.111 19 0 "[ . 1 . 2]" 1
1406 1 66 LEU H 1 85 LYS H . . 5.170 4.684 4.425 5.150 . 0 0 "[ . 1 . 2]" 1
1407 1 66 LEU H 1 86 VAL H . . 5.500 4.842 4.318 5.300 . 0 0 "[ . 1 . 2]" 1
1408 1 66 LEU H 1 86 VAL HA . . 3.450 3.062 2.764 3.327 . 0 0 "[ . 1 . 2]" 1
1409 1 66 LEU H 1 86 VAL MG1 . . 5.500 4.663 4.376 4.862 . 0 0 "[ . 1 . 2]" 1
1410 1 66 LEU H 1 86 VAL MG2 . . 4.710 4.356 4.054 4.715 0.005 18 0 "[ . 1 . 2]" 1
1411 1 66 LEU H 1 87 TYR H . . 5.120 3.600 3.382 3.929 . 0 0 "[ . 1 . 2]" 1
1412 1 66 LEU H 1 87 TYR QD . . 5.290 3.559 3.010 4.258 . 0 0 "[ . 1 . 2]" 1
1413 1 66 LEU HA 1 66 LEU HB2 . . 2.970 2.379 2.294 2.438 . 0 0 "[ . 1 . 2]" 1
1414 1 66 LEU HA 1 66 LEU MD1 . . 3.100 2.568 2.113 2.759 . 0 0 "[ . 1 . 2]" 1
1415 1 66 LEU HA 1 67 ILE H . . 2.810 2.299 2.218 2.350 . 0 0 "[ . 1 . 2]" 1
1416 1 66 LEU HA 1 67 ILE MD . . 5.070 4.540 4.302 4.693 . 0 0 "[ . 1 . 2]" 1
1417 1 66 LEU HA 1 67 ILE HG13 . . 5.210 3.882 3.598 4.183 . 0 0 "[ . 1 . 2]" 1
1418 1 66 LEU HA 1 84 VAL MG1 . . 5.010 4.392 4.054 4.668 . 0 0 "[ . 1 . 2]" 1
1419 1 66 LEU HB2 1 67 ILE H . . 4.860 3.996 3.850 4.201 . 0 0 "[ . 1 . 2]" 1
1420 1 66 LEU HB2 1 84 VAL MG1 . . 3.520 2.950 2.531 3.406 . 0 0 "[ . 1 . 2]" 1
1421 1 66 LEU HB2 1 86 VAL HA . . 4.170 4.036 3.766 4.205 0.035 15 0 "[ . 1 . 2]" 1
1422 1 66 LEU HB2 1 86 VAL MG2 . . 3.570 3.603 3.362 3.667 0.097 7 0 "[ . 1 . 2]" 1
1423 1 66 LEU HB2 1 87 TYR H . . 5.500 5.320 4.962 5.494 . 0 0 "[ . 1 . 2]" 1
1424 1 66 LEU HB3 1 66 LEU MD2 . . 2.980 2.276 2.200 2.373 . 0 0 "[ . 1 . 2]" 1
1425 1 66 LEU HB3 1 67 ILE H . . 4.950 4.165 4.002 4.432 . 0 0 "[ . 1 . 2]" 1
1426 1 66 LEU HB3 1 68 ALA MB . . 5.500 4.438 4.064 4.817 . 0 0 "[ . 1 . 2]" 1
1427 1 66 LEU HB3 1 79 LEU MD1 . . 5.500 4.078 3.679 4.422 . 0 0 "[ . 1 . 2]" 1
1428 1 66 LEU HB3 1 84 VAL MG1 . . 4.170 3.038 2.409 3.611 . 0 0 "[ . 1 . 2]" 1
1429 1 66 LEU HB3 1 85 LYS H . . 5.480 5.381 5.172 5.554 0.074 16 0 "[ . 1 . 2]" 1
1430 1 66 LEU HB3 1 86 VAL HA . . 3.650 2.313 2.044 2.519 . 0 0 "[ . 1 . 2]" 1
1431 1 66 LEU HB3 1 86 VAL MG1 . . 4.230 2.984 2.749 3.249 . 0 0 "[ . 1 . 2]" 1
1432 1 66 LEU HB3 1 86 VAL MG2 . . 3.150 2.413 2.213 2.785 . 0 0 "[ . 1 . 2]" 1
1433 1 66 LEU HB3 1 87 TYR H . . 4.900 3.859 3.365 4.136 . 0 0 "[ . 1 . 2]" 1
1434 1 66 LEU MD1 1 67 ILE H . . 3.610 1.901 1.786 2.167 . 0 0 "[ . 1 . 2]" 1
1435 1 66 LEU MD1 1 68 ALA HA . . 4.720 3.846 3.756 3.914 . 0 0 "[ . 1 . 2]" 1
1436 1 66 LEU MD1 1 68 ALA MB . . 3.090 2.024 1.922 2.087 . 0 0 "[ . 1 . 2]" 1
1437 1 66 LEU MD1 1 69 SER H . . 5.500 5.605 5.586 5.616 0.116 7 0 "[ . 1 . 2]" 1
1438 1 66 LEU MD2 1 68 ALA MB . . 4.360 2.405 2.183 2.668 . 0 0 "[ . 1 . 2]" 1
1439 1 66 LEU MD2 1 79 LEU MD1 . . 3.210 2.072 1.970 2.273 . 0 0 "[ . 1 . 2]" 1
1440 1 66 LEU MD2 1 84 VAL MG1 . . 4.910 3.435 2.983 4.004 . 0 0 "[ . 1 . 2]" 1
1441 1 66 LEU MD2 1 86 VAL MG1 . . 3.710 2.215 2.041 2.751 . 0 0 "[ . 1 . 2]" 1
1442 1 66 LEU HG 1 67 ILE H . . 4.040 3.066 2.839 3.500 . 0 0 "[ . 1 . 2]" 1
1443 1 66 LEU HG 1 68 ALA H . . 4.740 3.462 3.274 3.681 . 0 0 "[ . 1 . 2]" 1
1444 1 66 LEU HG 1 68 ALA MB . . 4.680 2.536 2.265 2.884 . 0 0 "[ . 1 . 2]" 1
1445 1 66 LEU HG 1 86 VAL HA . . 3.070 3.154 3.133 3.170 0.100 13 0 "[ . 1 . 2]" 1
1446 1 66 LEU HG 1 86 VAL MG1 . . 4.500 2.276 2.140 2.409 . 0 0 "[ . 1 . 2]" 1
1447 1 66 LEU HG 1 87 TYR H . . 5.500 3.533 3.271 3.871 . 0 0 "[ . 1 . 2]" 1
1448 1 67 ILE H 1 67 ILE HB . . 3.380 2.473 2.287 2.589 . 0 0 "[ . 1 . 2]" 1
1449 1 67 ILE H 1 67 ILE MD . . 5.430 3.717 3.426 3.853 . 0 0 "[ . 1 . 2]" 1
1450 1 67 ILE H 1 67 ILE HG12 . . 4.970 4.232 3.974 4.421 . 0 0 "[ . 1 . 2]" 1
1451 1 67 ILE H 1 67 ILE HG13 . . 4.060 3.057 2.714 3.295 . 0 0 "[ . 1 . 2]" 1
1452 1 67 ILE H 1 68 ALA H . . 4.930 4.144 4.011 4.291 . 0 0 "[ . 1 . 2]" 1
1453 1 67 ILE H 1 68 ALA HA . . 5.500 4.924 4.767 5.184 . 0 0 "[ . 1 . 2]" 1
1454 1 67 ILE H 1 86 VAL HA . . 5.430 5.055 4.893 5.205 . 0 0 "[ . 1 . 2]" 1
1455 1 67 ILE H 1 87 TYR H . . 5.350 4.525 4.381 4.655 . 0 0 "[ . 1 . 2]" 1
1456 1 67 ILE HA 1 67 ILE MD . . 4.270 3.912 3.770 3.954 . 0 0 "[ . 1 . 2]" 1
1457 1 67 ILE HA 1 67 ILE HG12 . . 3.680 2.708 2.604 2.791 . 0 0 "[ . 1 . 2]" 1
1458 1 67 ILE HA 1 67 ILE HG13 . . 3.730 2.772 2.414 2.922 . 0 0 "[ . 1 . 2]" 1
1459 1 67 ILE HA 1 67 ILE MG . . 3.190 2.434 2.302 2.715 . 0 0 "[ . 1 . 2]" 1
1460 1 67 ILE HA 1 68 ALA H . . 2.720 2.278 2.214 2.364 . 0 0 "[ . 1 . 2]" 1
1461 1 67 ILE HA 1 86 VAL MG1 . . 4.140 4.192 3.746 4.250 0.110 14 0 "[ . 1 . 2]" 1
1462 1 67 ILE HA 1 87 TYR H . . 3.410 2.751 2.629 2.893 . 0 0 "[ . 1 . 2]" 1
1463 1 67 ILE HA 1 87 TYR HB2 . . 3.360 2.246 2.058 2.427 . 0 0 "[ . 1 . 2]" 1
1464 1 67 ILE HA 1 87 TYR HB3 . . 3.910 3.230 3.084 3.477 . 0 0 "[ . 1 . 2]" 1
1465 1 67 ILE HA 1 89 PHE QB . . 5.050 4.143 4.000 4.377 . 0 0 "[ . 1 . 2]" 1
1466 1 67 ILE HB 1 67 ILE MD . . 3.360 2.422 2.324 2.497 . 0 0 "[ . 1 . 2]" 1
1467 1 67 ILE HB 1 68 ALA H . . 4.850 4.543 4.455 4.696 . 0 0 "[ . 1 . 2]" 1
1468 1 67 ILE HB 1 68 ALA HA . . 5.500 4.985 4.880 5.063 . 0 0 "[ . 1 . 2]" 1
1469 1 67 ILE HB 1 89 PHE QB . . 5.130 4.420 4.128 4.797 . 0 0 "[ . 1 . 2]" 1
1470 1 67 ILE HB 1 97 ALA HA . . 4.960 4.985 4.811 5.044 0.084 10 0 "[ . 1 . 2]" 1
1471 1 67 ILE HB 1 97 ALA MB . . 4.850 2.822 2.693 3.069 . 0 0 "[ . 1 . 2]" 1
1472 1 67 ILE MD 1 67 ILE MG . . 3.310 2.147 2.059 2.351 . 0 0 "[ . 1 . 2]" 1
1473 1 67 ILE MD 1 87 TYR H . . 5.500 5.537 5.396 5.606 0.106 19 0 "[ . 1 . 2]" 1
1474 1 67 ILE MD 1 87 TYR HB3 . . 5.500 4.939 4.730 5.328 . 0 0 "[ . 1 . 2]" 1
1475 1 67 ILE MD 1 87 TYR QD . . 4.850 4.879 4.584 4.968 0.118 12 0 "[ . 1 . 2]" 1
1476 1 67 ILE MD 1 89 PHE QB . . 5.500 4.602 4.419 4.852 . 0 0 "[ . 1 . 2]" 1
1477 1 67 ILE MD 1 97 ALA HA . . 5.460 3.690 3.502 3.901 . 0 0 "[ . 1 . 2]" 1
1478 1 67 ILE MD 1 98 ILE H . . 5.500 3.928 3.802 4.040 . 0 0 "[ . 1 . 2]" 1
1479 1 67 ILE MD 1 98 ILE HA . . 4.300 2.746 2.664 2.803 . 0 0 "[ . 1 . 2]" 1
1480 1 67 ILE MD 1 98 ILE MD . . 5.390 2.269 2.144 2.455 . 0 0 "[ . 1 . 2]" 1
1481 1 67 ILE MD 1 98 ILE HG12 . . 5.500 4.337 4.199 4.476 . 0 0 "[ . 1 . 2]" 1
1482 1 67 ILE MD 1 101 PHE H . . 4.820 3.949 3.698 4.191 . 0 0 "[ . 1 . 2]" 1
1483 1 67 ILE MD 1 101 PHE HA . . 5.300 4.732 4.531 4.977 . 0 0 "[ . 1 . 2]" 1
1484 1 67 ILE MD 1 101 PHE HB2 . . 3.460 2.821 2.670 3.068 . 0 0 "[ . 1 . 2]" 1
1485 1 67 ILE MD 1 101 PHE HB3 . . 3.730 2.629 2.434 2.792 . 0 0 "[ . 1 . 2]" 1
1486 1 67 ILE MD 1 101 PHE QD . . 3.990 3.064 2.778 3.363 . 0 0 "[ . 1 . 2]" 1
1487 1 67 ILE MD 1 102 SER H . . 5.500 4.817 4.586 5.131 . 0 0 "[ . 1 . 2]" 1
1488 1 67 ILE MD 1 106 LEU MD1 . . 4.530 3.202 3.017 3.401 . 0 0 "[ . 1 . 2]" 1
1489 1 67 ILE HG12 1 67 ILE MG . . 2.530 2.215 2.098 2.278 . 0 0 "[ . 1 . 2]" 1
1490 1 67 ILE HG12 1 68 ALA H . . 4.770 4.838 4.783 4.849 0.079 2 0 "[ . 1 . 2]" 1
1491 1 67 ILE HG12 1 87 TYR H . . 5.130 4.552 4.338 4.847 . 0 0 "[ . 1 . 2]" 1
1492 1 67 ILE HG12 1 87 TYR HB2 . . 4.750 2.743 2.543 3.127 . 0 0 "[ . 1 . 2]" 1
1493 1 67 ILE HG12 1 87 TYR HB3 . . 4.060 3.444 3.218 3.961 . 0 0 "[ . 1 . 2]" 1
1494 1 67 ILE HG12 1 106 LEU MD1 . . 4.840 2.721 2.507 3.157 . 0 0 "[ . 1 . 2]" 1
1495 1 67 ILE HG13 1 87 TYR H . . 5.420 4.294 4.048 4.453 . 0 0 "[ . 1 . 2]" 1
1496 1 67 ILE HG13 1 87 TYR HB2 . . 4.490 3.216 3.075 3.316 . 0 0 "[ . 1 . 2]" 1
1497 1 67 ILE HG13 1 87 TYR HB3 . . 4.480 4.533 4.350 4.562 0.082 2 0 "[ . 1 . 2]" 1
1498 1 67 ILE HG13 1 98 ILE HA . . 5.500 5.578 5.543 5.592 0.092 2 0 "[ . 1 . 2]" 1
1499 1 67 ILE HG13 1 101 PHE HB3 . . 5.500 4.849 4.591 5.259 . 0 0 "[ . 1 . 2]" 1
1500 1 67 ILE HG13 1 101 PHE QD . . 5.310 4.357 3.660 4.911 . 0 0 "[ . 1 . 2]" 1
1501 1 67 ILE MG 1 68 ALA H . . 3.820 3.323 3.250 3.438 . 0 0 "[ . 1 . 2]" 1
1502 1 67 ILE MG 1 68 ALA HA . . 4.110 3.853 3.631 4.062 . 0 0 "[ . 1 . 2]" 1
1503 1 67 ILE MG 1 87 TYR HB2 . . 3.940 3.394 3.005 4.010 0.070 10 0 "[ . 1 . 2]" 1
1504 1 67 ILE MG 1 87 TYR HB3 . . 4.440 3.346 3.068 4.311 . 0 0 "[ . 1 . 2]" 1
1505 1 67 ILE MG 1 88 ARG HA . . 4.770 4.774 4.617 4.866 0.096 7 0 "[ . 1 . 2]" 1
1506 1 67 ILE MG 1 89 PHE H . . 4.870 4.304 4.053 4.684 . 0 0 "[ . 1 . 2]" 1
1507 1 67 ILE MG 1 89 PHE HA . . 4.750 3.809 3.466 4.302 . 0 0 "[ . 1 . 2]" 1
1508 1 67 ILE MG 1 89 PHE QB . . 3.310 2.087 1.959 2.337 . 0 0 "[ . 1 . 2]" 1
1509 1 67 ILE MG 1 89 PHE QD . . 3.910 3.527 3.427 3.682 . 0 0 "[ . 1 . 2]" 1
1510 1 67 ILE MG 1 97 ALA HA . . 4.460 2.572 2.450 2.652 . 0 0 "[ . 1 . 2]" 1
1511 1 67 ILE MG 1 98 ILE MD . . 3.630 3.771 3.735 3.786 0.156 13 0 "[ . 1 . 2]" 1
1512 1 68 ALA H 1 68 ALA MB . . 3.640 2.739 2.648 2.833 . 0 0 "[ . 1 . 2]" 1
1513 1 68 ALA H 1 69 SER H . . 4.320 3.910 3.537 4.282 . 0 0 "[ . 1 . 2]" 1
1514 1 68 ALA H 1 70 ASN H . . 5.050 5.081 4.975 5.135 0.085 10 0 "[ . 1 . 2]" 1
1515 1 68 ALA H 1 86 VAL MG1 . . 4.490 3.306 2.883 3.614 . 0 0 "[ . 1 . 2]" 1
1516 1 68 ALA H 1 87 TYR H . . 4.580 3.315 3.016 3.514 . 0 0 "[ . 1 . 2]" 1
1517 1 68 ALA H 1 87 TYR HB3 . . 4.950 4.114 3.870 4.284 . 0 0 "[ . 1 . 2]" 1
1518 1 68 ALA H 1 88 ARG HA . . 3.750 3.452 2.950 3.784 0.034 19 0 "[ . 1 . 2]" 1
1519 1 68 ALA H 1 89 PHE H . . 4.250 4.309 4.161 4.336 0.086 11 0 "[ . 1 . 2]" 1
1520 1 68 ALA H 1 89 PHE QB . . 5.120 3.837 3.623 4.029 . 0 0 "[ . 1 . 2]" 1
1521 1 68 ALA HA 1 69 SER H . . 3.090 2.174 2.043 2.273 . 0 0 "[ . 1 . 2]" 1
1522 1 68 ALA HA 1 89 PHE QB . . 4.480 3.789 3.329 4.163 . 0 0 "[ . 1 . 2]" 1
1523 1 68 ALA MB 1 69 SER H . . 3.670 3.201 2.914 3.440 . 0 0 "[ . 1 . 2]" 1
1524 1 68 ALA MB 1 69 SER HA . . 4.650 4.560 4.368 4.764 0.114 6 0 "[ . 1 . 2]" 1
1525 1 68 ALA MB 1 70 ASN H . . 3.810 2.797 2.528 3.172 . 0 0 "[ . 1 . 2]" 1
1526 1 68 ALA MB 1 70 ASN HB3 . . 5.500 5.365 4.872 5.904 0.404 10 0 "[ . 1 . 2]" 1
1527 1 68 ALA MB 1 88 ARG HA . . 5.500 4.689 4.339 5.085 . 0 0 "[ . 1 . 2]" 1
1528 1 69 SER H 1 69 SER HB2 . . 4.110 3.436 2.231 3.702 . 0 0 "[ . 1 . 2]" 1
1529 1 69 SER H 1 69 SER HB3 . . 3.700 2.516 2.140 3.576 . 0 0 "[ . 1 . 2]" 1
1530 1 69 SER H 1 70 ASN H . . 3.250 2.865 2.564 3.307 0.057 6 0 "[ . 1 . 2]" 1
1531 1 69 SER H 1 88 ARG QD . . 5.470 5.291 4.656 5.561 0.091 15 0 "[ . 1 . 2]" 1
1532 1 69 SER HA 1 88 ARG HA . . 4.300 2.315 2.026 2.616 . 0 0 "[ . 1 . 2]" 1
1533 1 69 SER HA 1 88 ARG HG3 . . 4.600 2.606 2.034 3.814 . 0 0 "[ . 1 . 2]" 1
1534 1 69 SER HA 1 89 PHE H . . 3.620 2.139 1.772 2.763 . 0 0 "[ . 1 . 2]" 1
1535 1 69 SER HA 1 89 PHE QB . . 4.820 4.345 3.759 4.721 . 0 0 "[ . 1 . 2]" 1
1536 1 69 SER HB2 1 70 ASN H . . 5.140 4.108 3.776 4.571 . 0 0 "[ . 1 . 2]" 1
1537 1 69 SER HB2 1 88 ARG HG3 . . 4.300 3.505 2.105 4.358 0.058 20 0 "[ . 1 . 2]" 1
1538 1 69 SER HB2 1 89 PHE H . . 5.500 3.309 1.686 3.970 . 0 0 "[ . 1 . 2]" 1
1539 1 69 SER HB2 1 89 PHE QD . . 4.880 3.574 2.092 4.051 . 0 0 "[ . 1 . 2]" 1
1540 1 69 SER HB2 1 90 GLU HA . . 4.130 4.044 3.548 4.223 0.093 6 0 "[ . 1 . 2]" 1
1541 1 69 SER HB3 1 70 ASN H . . 4.140 4.085 3.606 4.211 0.071 4 0 "[ . 1 . 2]" 1
1542 1 69 SER HB3 1 88 ARG QD . . 4.330 4.327 3.562 5.085 0.755 12 1 "[ . 1 + . 2]" 1
1543 1 69 SER HB3 1 89 PHE QB . . 5.500 4.150 3.404 5.557 0.057 5 0 "[ . 1 . 2]" 1
1544 1 69 SER HB3 1 89 PHE QD . . 4.590 2.240 1.954 4.592 0.002 5 0 "[ . 1 . 2]" 1
1545 1 70 ASN H 1 70 ASN HB3 . . 3.850 3.476 2.897 4.040 0.190 10 0 "[ . 1 . 2]" 1
1546 1 70 ASN H 1 71 VAL MG2 . . 5.500 5.589 5.502 5.625 0.125 12 0 "[ . 1 . 2]" 1
1547 1 70 ASN H 1 89 PHE QD . . 5.500 5.024 4.738 5.561 0.061 6 0 "[ . 1 . 2]" 1
1548 1 70 ASN HA 1 71 VAL H . . 2.940 2.720 2.528 2.925 . 0 0 "[ . 1 . 2]" 1
1549 1 70 ASN HA 1 71 VAL MG2 . . 5.420 5.267 4.409 5.465 0.045 19 0 "[ . 1 . 2]" 1
1550 1 70 ASN HA 1 109 LEU MD2 . . 4.030 2.719 2.475 2.892 . 0 0 "[ . 1 . 2]" 1
1551 1 70 ASN HA 1 109 LEU HG . . 5.120 5.180 4.816 5.215 0.095 6 0 "[ . 1 . 2]" 1
1552 1 70 ASN HB2 1 71 VAL H . . 4.210 3.747 2.737 3.955 . 0 0 "[ . 1 . 2]" 1
1553 1 70 ASN HB3 1 71 VAL H . . 4.450 2.536 2.128 3.205 . 0 0 "[ . 1 . 2]" 1
1554 1 70 ASN HB3 1 71 VAL HB . . 5.160 5.112 4.854 5.260 0.100 12 0 "[ . 1 . 2]" 1
1555 1 70 ASN HB3 1 72 GLY H . . 5.500 5.500 4.835 6.147 0.647 10 1 "[ . + . 2]" 1
1556 1 71 VAL H 1 71 VAL HB . . 3.990 2.974 2.553 3.861 . 0 0 "[ . 1 . 2]" 1
1557 1 71 VAL H 1 71 VAL MG2 . . 4.640 3.849 2.492 4.002 . 0 0 "[ . 1 . 2]" 1
1558 1 71 VAL H 1 72 GLY H . . 5.500 4.377 4.230 4.499 . 0 0 "[ . 1 . 2]" 1
1559 1 71 VAL H 1 73 ARG H . . 5.220 4.855 3.924 5.303 0.083 2 0 "[ . 1 . 2]" 1
1560 1 71 VAL HA 1 71 VAL MG1 . . 3.610 3.224 2.656 3.300 . 0 0 "[ . 1 . 2]" 1
1561 1 71 VAL HA 1 71 VAL MG2 . . 3.440 2.275 2.147 3.169 . 0 0 "[ . 1 . 2]" 1
1562 1 71 VAL HA 1 72 GLY H . . 3.270 2.323 2.096 2.669 . 0 0 "[ . 1 . 2]" 1
1563 1 71 VAL HA 1 73 ARG H . . 4.260 4.182 3.955 4.343 0.083 5 0 "[ . 1 . 2]" 1
1564 1 71 VAL HA 1 75 ALA MB . . 5.500 4.795 4.408 5.242 . 0 0 "[ . 1 . 2]" 1
1565 1 71 VAL HB 1 72 GLY H . . 5.490 4.042 2.604 4.396 . 0 0 "[ . 1 . 2]" 1
1566 1 71 VAL HB 1 75 ALA MB . . 5.500 4.413 3.137 4.865 . 0 0 "[ . 1 . 2]" 1
1567 1 71 VAL HB 1 76 PHE HB2 . . 5.050 3.747 2.773 5.096 0.046 12 0 "[ . 1 . 2]" 1
1568 1 71 VAL HB 1 86 VAL MG1 . . 5.310 4.561 4.087 5.394 0.084 12 0 "[ . 1 . 2]" 1
1569 1 71 VAL MG1 1 72 GLY H . . 4.380 3.502 2.833 4.152 . 0 0 "[ . 1 . 2]" 1
1570 1 71 VAL MG1 1 75 ALA MB . . 4.010 3.632 3.221 4.051 0.041 3 0 "[ . 1 . 2]" 1
1571 1 71 VAL MG1 1 76 PHE H . . 4.370 3.304 2.748 4.268 . 0 0 "[ . 1 . 2]" 1
1572 1 71 VAL MG1 1 76 PHE HA . . 4.480 4.077 3.392 4.346 . 0 0 "[ . 1 . 2]" 1
1573 1 71 VAL MG1 1 76 PHE HB2 . . 3.060 2.405 2.135 3.173 0.113 12 0 "[ . 1 . 2]" 1
1574 1 71 VAL MG1 1 76 PHE HB3 . . 4.840 3.262 2.170 4.551 . 0 0 "[ . 1 . 2]" 1
1575 1 71 VAL MG1 1 76 PHE QD . . 3.820 3.834 3.538 3.939 0.119 4 0 "[ . 1 . 2]" 1
1576 1 71 VAL MG1 1 112 PHE HB3 . . 5.500 5.492 4.564 6.386 0.886 6 4 "[ .+ -1* *. 2]" 1
1577 1 71 VAL MG2 1 72 GLY H . . 5.140 2.358 1.909 3.076 . 0 0 "[ . 1 . 2]" 1
1578 1 71 VAL MG2 1 72 GLY QA . . 5.300 3.797 3.499 4.139 . 0 0 "[ . 1 . 2]" 1
1579 1 71 VAL MG2 1 73 ARG HB2 . . 5.500 5.429 3.216 5.894 0.394 18 0 "[ . 1 . 2]" 1
1580 1 71 VAL MG2 1 73 ARG QG . . 5.500 5.266 4.559 5.602 0.102 2 0 "[ . 1 . 2]" 1
1581 1 71 VAL MG2 1 75 ALA MB . . 2.980 2.142 1.938 2.605 . 0 0 "[ . 1 . 2]" 1
1582 1 71 VAL MG2 1 76 PHE H . . 5.250 2.920 2.329 3.598 . 0 0 "[ . 1 . 2]" 1
1583 1 71 VAL MG2 1 76 PHE HA . . 4.700 3.410 2.863 3.848 . 0 0 "[ . 1 . 2]" 1
1584 1 71 VAL MG2 1 76 PHE HB2 . . 4.420 2.918 2.349 3.605 . 0 0 "[ . 1 . 2]" 1
1585 1 71 VAL MG2 1 76 PHE HB3 . . 5.500 3.922 3.230 4.807 . 0 0 "[ . 1 . 2]" 1
1586 1 71 VAL MG2 1 76 PHE QD . . 4.420 4.259 3.768 4.536 0.116 7 0 "[ . 1 . 2]" 1
1587 1 71 VAL MG2 1 86 VAL MG1 . . 4.550 4.559 3.879 4.707 0.157 3 0 "[ . 1 . 2]" 1
1588 1 72 GLY H 1 75 ALA MB . . 5.250 4.220 3.422 5.043 . 0 0 "[ . 1 . 2]" 1
1589 1 73 ARG H 1 75 ALA MB . . 4.380 4.165 3.805 4.488 0.108 20 0 "[ . 1 . 2]" 1
1590 1 75 ALA HA 1 77 GLU H . . 5.330 4.323 4.059 4.609 . 0 0 "[ . 1 . 2]" 1
1591 1 75 ALA HA 1 78 THR H . . 4.620 3.349 2.974 3.674 . 0 0 "[ . 1 . 2]" 1
1592 1 75 ALA HA 1 78 THR HB . . 3.710 3.039 2.741 3.403 . 0 0 "[ . 1 . 2]" 1
1593 1 75 ALA HA 1 79 LEU H . . 4.670 4.620 4.266 4.758 0.088 12 0 "[ . 1 . 2]" 1
1594 1 75 ALA HA 1 79 LEU HG . . 5.500 4.471 4.116 4.806 . 0 0 "[ . 1 . 2]" 1
1595 1 75 ALA MB 1 76 PHE H . . 3.860 2.835 2.685 3.114 . 0 0 "[ . 1 . 2]" 1
1596 1 75 ALA MB 1 76 PHE HA . . 5.500 3.731 3.333 4.056 . 0 0 "[ . 1 . 2]" 1
1597 1 75 ALA MB 1 76 PHE HB3 . . 4.580 4.645 4.517 4.690 0.110 10 0 "[ . 1 . 2]" 1
1598 1 75 ALA MB 1 79 LEU MD1 . . 4.740 2.966 2.371 3.423 . 0 0 "[ . 1 . 2]" 1
1599 1 76 PHE H 1 76 PHE HB2 . . 3.210 2.619 2.428 2.817 . 0 0 "[ . 1 . 2]" 1
1600 1 76 PHE H 1 76 PHE HB3 . . 3.340 2.249 2.146 2.399 . 0 0 "[ . 1 . 2]" 1
1601 1 76 PHE H 1 76 PHE QD . . 4.980 4.127 3.979 4.270 . 0 0 "[ . 1 . 2]" 1
1602 1 76 PHE H 1 77 GLU H . . 3.650 2.765 2.527 2.914 . 0 0 "[ . 1 . 2]" 1
1603 1 76 PHE H 1 77 GLU HA . . 5.440 5.394 5.204 5.494 0.054 18 0 "[ . 1 . 2]" 1
1604 1 76 PHE H 1 77 GLU QG . . 4.540 4.332 3.917 4.495 . 0 0 "[ . 1 . 2]" 1
1605 1 76 PHE H 1 78 THR H . . 4.770 4.107 3.846 4.262 . 0 0 "[ . 1 . 2]" 1
1606 1 76 PHE H 1 79 LEU MD1 . . 5.500 3.919 3.557 4.245 . 0 0 "[ . 1 . 2]" 1
1607 1 76 PHE HA 1 76 PHE QD . . 3.420 2.890 2.546 3.359 . 0 0 "[ . 1 . 2]" 1
1608 1 76 PHE HA 1 76 PHE QE . . 5.500 4.936 4.683 5.153 . 0 0 "[ . 1 . 2]" 1
1609 1 76 PHE HA 1 79 LEU H . . 4.150 3.326 3.032 3.520 . 0 0 "[ . 1 . 2]" 1
1610 1 76 PHE HA 1 79 LEU QB . . 3.600 2.694 2.368 2.838 . 0 0 "[ . 1 . 2]" 1
1611 1 76 PHE HA 1 79 LEU MD1 . . 3.110 2.058 1.937 2.192 . 0 0 "[ . 1 . 2]" 1
1612 1 76 PHE HA 1 79 LEU HG . . 4.430 3.230 2.634 3.384 . 0 0 "[ . 1 . 2]" 1
1613 1 76 PHE HA 1 80 LYS H . . 4.750 4.372 4.140 4.644 . 0 0 "[ . 1 . 2]" 1
1614 1 76 PHE HB2 1 77 GLU H . . 4.070 4.053 3.913 4.140 0.070 8 0 "[ . 1 . 2]" 1
1615 1 76 PHE HB2 1 79 LEU QB . . 5.180 4.726 4.372 4.938 . 0 0 "[ . 1 . 2]" 1
1616 1 76 PHE HB2 1 79 LEU MD1 . . 4.360 3.471 3.100 3.814 . 0 0 "[ . 1 . 2]" 1
1617 1 76 PHE HB2 1 79 LEU HG . . 5.400 5.394 4.794 5.478 0.078 16 0 "[ . 1 . 2]" 1
1618 1 76 PHE HB2 1 80 LYS QD . . 5.500 5.471 4.589 5.592 0.092 2 0 "[ . 1 . 2]" 1
1619 1 76 PHE HB3 1 77 GLU H . . 3.420 2.784 2.589 2.931 . 0 0 "[ . 1 . 2]" 1
1620 1 76 PHE HB3 1 77 GLU HA . . 4.700 4.668 4.472 4.774 0.074 15 0 "[ . 1 . 2]" 1
1621 1 76 PHE HB3 1 77 GLU QG . . 5.500 3.417 3.009 3.836 . 0 0 "[ . 1 . 2]" 1
1622 1 76 PHE HB3 1 78 THR H . . 5.410 5.030 4.905 5.197 . 0 0 "[ . 1 . 2]" 1
1623 1 76 PHE QD 1 77 GLU H . . 4.600 3.363 3.130 3.682 . 0 0 "[ . 1 . 2]" 1
1624 1 76 PHE QD 1 77 GLU HA . . 3.920 3.668 2.779 3.981 0.061 8 0 "[ . 1 . 2]" 1
1625 1 76 PHE QD 1 77 GLU QG . . 4.390 2.582 2.142 3.204 . 0 0 "[ . 1 . 2]" 1
1626 1 76 PHE QD 1 78 THR H . . 5.500 5.452 5.152 5.589 0.089 17 0 "[ . 1 . 2]" 1
1627 1 76 PHE QD 1 79 LEU MD1 . . 4.350 3.181 2.553 4.035 . 0 0 "[ . 1 . 2]" 1
1628 1 76 PHE QD 1 80 LYS HB3 . . 5.500 5.583 5.526 5.618 0.118 12 0 "[ . 1 . 2]" 1
1629 1 76 PHE QD 1 80 LYS HG2 . . 4.880 4.704 3.794 4.953 0.073 10 0 "[ . 1 . 2]" 1
1630 1 76 PHE QD 1 86 VAL MG2 . . 4.030 3.561 2.672 4.147 0.117 13 0 "[ . 1 . 2]" 1
1631 1 76 PHE QD 1 111 THR H . . 5.180 5.147 4.837 5.266 0.086 6 0 "[ . 1 . 2]" 1
1632 1 76 PHE QE 1 80 LYS QE . . 5.340 2.861 2.611 4.330 . 0 0 "[ . 1 . 2]" 1
1633 1 76 PHE QE 1 86 VAL MG1 . . 4.760 4.628 3.786 4.905 0.145 12 0 "[ . 1 . 2]" 1
1634 1 76 PHE QE 1 110 THR HA . . 3.960 3.144 2.139 4.018 0.058 13 0 "[ . 1 . 2]" 1
1635 1 76 PHE QE 1 111 THR HA . . 3.530 3.240 2.890 3.616 0.086 10 0 "[ . 1 . 2]" 1
1636 1 76 PHE HZ 1 80 LYS QE . . 5.440 3.165 2.747 4.828 . 0 0 "[ . 1 . 2]" 1
1637 1 76 PHE HZ 1 111 THR HA . . 3.870 2.297 2.053 2.958 . 0 0 "[ . 1 . 2]" 1
1638 1 76 PHE HZ 1 112 PHE H . . 5.100 3.279 2.219 4.798 . 0 0 "[ . 1 . 2]" 1
1639 1 77 GLU H 1 77 GLU HB2 . . 3.160 2.423 2.216 2.703 . 0 0 "[ . 1 . 2]" 1
1640 1 77 GLU H 1 77 GLU HB3 . . 3.680 3.548 3.476 3.614 . 0 0 "[ . 1 . 2]" 1
1641 1 77 GLU H 1 77 GLU QG . . 3.590 2.226 2.054 2.494 . 0 0 "[ . 1 . 2]" 1
1642 1 77 GLU H 1 78 THR H . . 3.600 2.602 2.445 2.747 . 0 0 "[ . 1 . 2]" 1
1643 1 77 GLU H 1 78 THR HA . . 5.500 5.227 5.090 5.321 . 0 0 "[ . 1 . 2]" 1
1644 1 77 GLU H 1 78 THR HB . . 5.240 5.151 4.824 5.297 0.057 8 0 "[ . 1 . 2]" 1
1645 1 77 GLU H 1 79 LEU H . . 3.820 3.881 3.811 3.904 0.084 15 0 "[ . 1 . 2]" 1
1646 1 77 GLU H 1 79 LEU MD1 . . 5.500 5.008 4.750 5.254 . 0 0 "[ . 1 . 2]" 1
1647 1 77 GLU H 1 80 LYS H . . 5.500 5.185 4.849 5.377 . 0 0 "[ . 1 . 2]" 1
1648 1 77 GLU HA 1 77 GLU QG . . 3.610 2.485 2.231 2.999 . 0 0 "[ . 1 . 2]" 1
1649 1 77 GLU HA 1 80 LYS H . . 4.200 3.774 3.316 4.236 0.036 6 0 "[ . 1 . 2]" 1
1650 1 77 GLU HA 1 80 LYS QD . . 3.980 2.389 1.970 3.315 . 0 0 "[ . 1 . 2]" 1
1651 1 77 GLU HA 1 80 LYS QE . . 5.190 3.675 3.337 4.364 . 0 0 "[ . 1 . 2]" 1
1652 1 77 GLU HA 1 80 LYS HG2 . . 3.510 2.412 2.030 2.677 . 0 0 "[ . 1 . 2]" 1
1653 1 77 GLU HA 1 80 LYS HG3 . . 4.210 2.912 2.437 3.136 . 0 0 "[ . 1 . 2]" 1
1654 1 77 GLU HB2 1 78 THR H . . 3.830 2.845 2.635 3.188 . 0 0 "[ . 1 . 2]" 1
1655 1 77 GLU HB3 1 78 THR H . . 4.280 3.873 3.678 4.131 . 0 0 "[ . 1 . 2]" 1
1656 1 77 GLU HB3 1 80 LYS HG3 . . 4.690 4.561 4.039 4.758 0.068 3 0 "[ . 1 . 2]" 1
1657 1 77 GLU QG 1 78 THR H . . 5.500 4.198 3.918 4.399 . 0 0 "[ . 1 . 2]" 1
1658 1 77 GLU QG 1 80 LYS QD . . 5.080 3.530 2.778 4.123 . 0 0 "[ . 1 . 2]" 1
1659 1 78 THR H 1 78 THR HB . . 3.320 2.741 2.483 2.927 . 0 0 "[ . 1 . 2]" 1
1660 1 78 THR H 1 78 THR MG . . 3.960 3.691 3.478 3.827 . 0 0 "[ . 1 . 2]" 1
1661 1 78 THR H 1 79 LEU H . . 3.360 2.444 2.266 2.687 . 0 0 "[ . 1 . 2]" 1
1662 1 78 THR H 1 79 LEU MD2 . . 5.420 5.483 5.014 5.525 0.105 12 0 "[ . 1 . 2]" 1
1663 1 78 THR H 1 79 LEU HG . . 4.720 4.328 4.170 4.474 . 0 0 "[ . 1 . 2]" 1
1664 1 78 THR HA 1 78 THR MG . . 3.000 2.234 2.110 2.403 . 0 0 "[ . 1 . 2]" 1
1665 1 78 THR HA 1 79 LEU HA . . 4.980 4.778 4.702 4.851 . 0 0 "[ . 1 . 2]" 1
1666 1 78 THR HA 1 80 LYS H . . 5.160 4.774 4.311 5.059 . 0 0 "[ . 1 . 2]" 1
1667 1 78 THR HA 1 81 ALA H . . 3.870 3.325 2.994 3.684 . 0 0 "[ . 1 . 2]" 1
1668 1 78 THR HA 1 81 ALA MB . . 3.690 2.232 2.054 2.481 . 0 0 "[ . 1 . 2]" 1
1669 1 78 THR HB 1 79 LEU H . . 3.520 3.360 3.112 3.557 0.037 13 0 "[ . 1 . 2]" 1
1670 1 78 THR HB 1 79 LEU HG . . 5.310 3.933 3.518 4.196 . 0 0 "[ . 1 . 2]" 1
1671 1 78 THR MG 1 79 LEU H . . 5.180 4.258 4.084 4.431 . 0 0 "[ . 1 . 2]" 1
1672 1 78 THR MG 1 79 LEU HA . . 5.500 4.511 4.155 4.977 . 0 0 "[ . 1 . 2]" 1
1673 1 78 THR MG 1 79 LEU HG . . 5.240 5.020 4.657 5.316 0.076 3 0 "[ . 1 . 2]" 1
1674 1 78 THR MG 1 82 ALA H . . 5.500 4.776 3.935 5.501 0.001 8 0 "[ . 1 . 2]" 1
1675 1 79 LEU H 1 79 LEU QB . . 3.120 2.380 2.293 2.493 . 0 0 "[ . 1 . 2]" 1
1676 1 79 LEU H 1 79 LEU MD1 . . 4.340 3.656 3.473 3.876 . 0 0 "[ . 1 . 2]" 1
1677 1 79 LEU H 1 79 LEU MD2 . . 4.820 3.873 3.553 4.011 . 0 0 "[ . 1 . 2]" 1
1678 1 79 LEU H 1 79 LEU HG . . 3.250 2.715 2.539 2.915 . 0 0 "[ . 1 . 2]" 1
1679 1 79 LEU H 1 80 LYS H . . 3.650 2.615 2.104 2.854 . 0 0 "[ . 1 . 2]" 1
1680 1 79 LEU H 1 80 LYS HB3 . . 5.310 5.376 5.332 5.410 0.100 11 0 "[ . 1 . 2]" 1
1681 1 79 LEU H 1 81 ALA H . . 5.240 3.690 3.457 3.860 . 0 0 "[ . 1 . 2]" 1
1682 1 79 LEU H 1 81 ALA MB . . 5.480 4.335 4.216 4.421 . 0 0 "[ . 1 . 2]" 1
1683 1 79 LEU HA 1 79 LEU MD1 . . 4.490 3.913 3.839 3.946 . 0 0 "[ . 1 . 2]" 1
1684 1 79 LEU HA 1 79 LEU MD2 . . 3.060 2.088 2.003 2.186 . 0 0 "[ . 1 . 2]" 1
1685 1 79 LEU HA 1 79 LEU HG . . 3.470 2.817 2.580 3.118 . 0 0 "[ . 1 . 2]" 1
1686 1 79 LEU HA 1 80 LYS HA . . 4.990 4.753 4.689 4.817 . 0 0 "[ . 1 . 2]" 1
1687 1 79 LEU HA 1 80 LYS HG2 . . 5.090 5.146 5.014 5.173 0.083 11 0 "[ . 1 . 2]" 1
1688 1 79 LEU HA 1 81 ALA H . . 5.110 4.419 4.249 4.578 . 0 0 "[ . 1 . 2]" 1
1689 1 79 LEU HA 1 82 ALA H . . 4.340 3.709 3.567 3.884 . 0 0 "[ . 1 . 2]" 1
1690 1 79 LEU HA 1 82 ALA MB . . 3.590 3.550 3.185 3.681 0.091 6 0 "[ . 1 . 2]" 1
1691 1 79 LEU HA 1 84 VAL H . . 4.500 4.012 3.788 4.454 . 0 0 "[ . 1 . 2]" 1
1692 1 79 LEU HA 1 84 VAL MG1 . . 5.500 3.746 3.283 4.199 . 0 0 "[ . 1 . 2]" 1
1693 1 79 LEU HA 1 84 VAL MG2 . . 4.520 2.837 2.576 3.206 . 0 0 "[ . 1 . 2]" 1
1694 1 79 LEU HA 1 86 VAL MG2 . . 4.820 4.628 4.321 4.938 0.118 2 0 "[ . 1 . 2]" 1
1695 1 79 LEU QB 1 80 LYS H . . 3.450 2.357 2.104 2.649 . 0 0 "[ . 1 . 2]" 1
1696 1 79 LEU QB 1 80 LYS HA . . 4.670 3.943 3.799 4.093 . 0 0 "[ . 1 . 2]" 1
1697 1 79 LEU QB 1 80 LYS QE . . 3.100 2.954 2.381 3.047 . 0 0 "[ . 1 . 2]" 1
1698 1 79 LEU QB 1 80 LYS HG2 . . 3.690 3.626 3.475 3.661 . 0 0 "[ . 1 . 2]" 1
1699 1 79 LEU QB 1 82 ALA H . . 5.500 4.911 4.682 5.063 . 0 0 "[ . 1 . 2]" 1
1700 1 79 LEU QB 1 84 VAL H . . 5.200 4.037 3.822 4.273 . 0 0 "[ . 1 . 2]" 1
1701 1 79 LEU QB 1 84 VAL HB . . 3.250 2.414 2.186 2.747 . 0 0 "[ . 1 . 2]" 1
1702 1 79 LEU QB 1 86 VAL MG2 . . 4.220 2.511 2.166 2.801 . 0 0 "[ . 1 . 2]" 1
1703 1 79 LEU MD1 1 80 LYS H . . 5.100 4.394 4.098 4.702 . 0 0 "[ . 1 . 2]" 1
1704 1 79 LEU MD1 1 86 VAL HB . . 5.500 4.242 4.039 4.520 . 0 0 "[ . 1 . 2]" 1
1705 1 79 LEU MD1 1 86 VAL MG1 . . 4.940 2.954 2.671 3.389 . 0 0 "[ . 1 . 2]" 1
1706 1 79 LEU MD1 1 86 VAL MG2 . . 3.490 2.046 1.920 2.283 . 0 0 "[ . 1 . 2]" 1
1707 1 79 LEU MD2 1 82 ALA MB . . 5.500 4.302 3.981 4.488 . 0 0 "[ . 1 . 2]" 1
1708 1 79 LEU MD2 1 84 VAL H . . 5.250 4.655 4.324 5.085 . 0 0 "[ . 1 . 2]" 1
1709 1 80 LYS H 1 80 LYS HB2 . . 3.420 3.488 3.257 3.505 0.085 18 0 "[ . 1 . 2]" 1
1710 1 80 LYS H 1 80 LYS HB3 . . 3.270 2.799 2.563 3.337 0.067 11 0 "[ . 1 . 2]" 1
1711 1 80 LYS H 1 80 LYS HG2 . . 5.170 1.744 1.644 1.922 . 0 0 "[ . 1 . 2]" 1
1712 1 80 LYS H 1 80 LYS HG3 . . 4.370 3.273 3.186 3.409 . 0 0 "[ . 1 . 2]" 1
1713 1 80 LYS H 1 81 ALA H . . 3.460 2.740 2.560 2.989 . 0 0 "[ . 1 . 2]" 1
1714 1 80 LYS H 1 81 ALA HA . . 5.500 5.334 5.148 5.544 0.044 6 0 "[ . 1 . 2]" 1
1715 1 80 LYS H 1 81 ALA MB . . 5.500 4.406 4.234 4.601 . 0 0 "[ . 1 . 2]" 1
1716 1 80 LYS H 1 82 ALA H . . 5.150 4.329 4.071 4.587 . 0 0 "[ . 1 . 2]" 1
1717 1 80 LYS H 1 82 ALA MB . . 5.460 5.499 5.316 5.555 0.095 3 0 "[ . 1 . 2]" 1
1718 1 80 LYS H 1 86 VAL MG2 . . 5.500 4.619 4.002 5.113 . 0 0 "[ . 1 . 2]" 1
1719 1 80 LYS HA 1 80 LYS QE . . 4.380 3.690 2.106 4.219 . 0 0 "[ . 1 . 2]" 1
1720 1 80 LYS HA 1 80 LYS HG2 . . 3.910 3.638 3.514 3.683 . 0 0 "[ . 1 . 2]" 1
1721 1 80 LYS HA 1 80 LYS HG3 . . 4.030 4.070 3.984 4.123 0.093 12 0 "[ . 1 . 2]" 1
1722 1 80 LYS HA 1 83 GLY H . . 4.240 3.449 3.116 3.858 . 0 0 "[ . 1 . 2]" 1
1723 1 80 LYS HA 1 84 VAL H . . 3.780 2.916 2.529 3.312 . 0 0 "[ . 1 . 2]" 1
1724 1 80 LYS HA 1 86 VAL MG2 . . 5.500 5.014 4.493 5.397 . 0 0 "[ . 1 . 2]" 1
1725 1 80 LYS HB2 1 80 LYS QE . . 3.970 3.594 3.300 3.824 . 0 0 "[ . 1 . 2]" 1
1726 1 80 LYS HB2 1 81 ALA H . . 3.580 3.619 3.094 3.665 0.085 1 0 "[ . 1 . 2]" 1
1727 1 80 LYS HB2 1 81 ALA HA . . 4.720 4.476 4.020 4.703 . 0 0 "[ . 1 . 2]" 1
1728 1 80 LYS HB2 1 83 GLY H . . 5.070 4.844 4.626 5.135 0.065 18 0 "[ . 1 . 2]" 1
1729 1 80 LYS HB2 1 83 GLY HA2 . . 5.050 4.731 4.385 5.114 0.064 18 0 "[ . 1 . 2]" 1
1730 1 80 LYS HB3 1 80 LYS QE . . 2.970 2.259 1.884 2.609 . 0 0 "[ . 1 . 2]" 1
1731 1 80 LYS QE 1 86 VAL MG2 . . 5.500 3.878 3.181 4.449 . 0 0 "[ . 1 . 2]" 1
1732 1 80 LYS HG3 1 81 ALA H . . 4.780 3.187 2.738 4.330 . 0 0 "[ . 1 . 2]" 1
1733 1 81 ALA H 1 81 ALA MB . . 2.950 2.254 2.190 2.307 . 0 0 "[ . 1 . 2]" 1
1734 1 81 ALA H 1 82 ALA H . . 3.210 2.960 2.875 3.046 . 0 0 "[ . 1 . 2]" 1
1735 1 81 ALA H 1 82 ALA HA . . 5.500 5.540 5.484 5.571 0.071 5 0 "[ . 1 . 2]" 1
1736 1 81 ALA H 1 84 VAL MG2 . . 5.170 5.137 4.800 5.250 0.080 7 0 "[ . 1 . 2]" 1
1737 1 81 ALA MB 1 82 ALA H . . 3.810 2.806 2.348 3.375 . 0 0 "[ . 1 . 2]" 1
1738 1 81 ALA MB 1 82 ALA HA . . 5.180 4.168 3.890 4.471 . 0 0 "[ . 1 . 2]" 1
1739 1 82 ALA H 1 82 ALA MB . . 3.290 2.293 2.149 2.568 . 0 0 "[ . 1 . 2]" 1
1740 1 82 ALA H 1 83 GLY H . . 3.270 2.804 2.350 3.177 . 0 0 "[ . 1 . 2]" 1
1741 1 82 ALA H 1 83 GLY HA2 . . 5.420 4.601 4.042 5.092 . 0 0 "[ . 1 . 2]" 1
1742 1 82 ALA H 1 84 VAL HB . . 5.500 4.602 4.224 4.988 . 0 0 "[ . 1 . 2]" 1
1743 1 82 ALA H 1 84 VAL MG2 . . 4.500 3.072 2.780 3.325 . 0 0 "[ . 1 . 2]" 1
1744 1 82 ALA MB 1 83 GLY H . . 4.120 3.680 3.636 3.717 . 0 0 "[ . 1 . 2]" 1
1745 1 82 ALA MB 1 83 GLY HA2 . . 5.300 5.010 4.930 5.090 . 0 0 "[ . 1 . 2]" 1
1746 1 82 ALA MB 1 83 GLY HA3 . . 5.500 4.786 4.664 4.854 . 0 0 "[ . 1 . 2]" 1
1747 1 82 ALA MB 1 84 VAL H . . 3.960 3.473 3.360 3.619 . 0 0 "[ . 1 . 2]" 1
1748 1 82 ALA MB 1 84 VAL HA . . 4.660 4.745 4.686 4.768 0.108 15 0 "[ . 1 . 2]" 1
1749 1 82 ALA MB 1 84 VAL HB . . 3.980 4.037 3.924 4.081 0.101 17 0 "[ . 1 . 2]" 1
1750 1 82 ALA MB 1 84 VAL MG2 . . 3.830 2.002 1.946 2.065 . 0 0 "[ . 1 . 2]" 1
1751 1 83 GLY H 1 83 GLY HA2 . . 2.950 2.216 2.184 2.274 . 0 0 "[ . 1 . 2]" 1
1752 1 83 GLY H 1 84 VAL MG2 . . 5.500 3.808 3.581 3.977 . 0 0 "[ . 1 . 2]" 1
1753 1 83 GLY HA2 1 84 VAL MG2 . . 4.230 4.339 4.315 4.348 0.118 7 0 "[ . 1 . 2]" 1
1754 1 83 GLY HA3 1 84 VAL MG2 . . 5.500 4.313 4.123 4.427 . 0 0 "[ . 1 . 2]" 1
1755 1 84 VAL H 1 84 VAL HB . . 3.030 2.536 2.424 2.641 . 0 0 "[ . 1 . 2]" 1
1756 1 84 VAL H 1 84 VAL MG1 . . 4.790 3.761 3.679 3.840 . 0 0 "[ . 1 . 2]" 1
1757 1 84 VAL H 1 84 VAL MG2 . . 3.450 1.973 1.806 2.097 . 0 0 "[ . 1 . 2]" 1
1758 1 84 VAL HA 1 84 VAL MG1 . . 3.130 2.426 2.337 2.528 . 0 0 "[ . 1 . 2]" 1
1759 1 84 VAL HA 1 84 VAL MG2 . . 3.030 2.470 2.266 2.638 . 0 0 "[ . 1 . 2]" 1
1760 1 84 VAL HA 1 85 LYS H . . 2.750 2.155 2.097 2.219 . 0 0 "[ . 1 . 2]" 1
1761 1 84 VAL HA 1 85 LYS HA . . 4.260 4.344 4.336 4.351 0.091 15 0 "[ . 1 . 2]" 1
1762 1 84 VAL HA 1 85 LYS QB . . 5.210 4.078 3.973 4.265 . 0 0 "[ . 1 . 2]" 1
1763 1 84 VAL MG1 1 85 LYS H . . 3.650 2.979 2.567 3.505 . 0 0 "[ . 1 . 2]" 1
1764 1 84 VAL MG1 1 85 LYS QB . . 5.500 4.267 3.813 4.781 . 0 0 "[ . 1 . 2]" 1
1765 1 84 VAL MG1 1 86 VAL H . . 5.500 4.830 3.769 5.254 . 0 0 "[ . 1 . 2]" 1
1766 1 84 VAL MG1 1 86 VAL HA . . 4.450 4.195 3.381 4.557 0.107 3 0 "[ . 1 . 2]" 1
1767 1 84 VAL MG1 1 86 VAL MG2 . . 3.370 2.959 2.263 3.520 0.150 13 0 "[ . 1 . 2]" 1
1768 1 84 VAL MG2 1 85 LYS H . . 5.260 4.212 4.024 4.447 . 0 0 "[ . 1 . 2]" 1
1769 1 85 LYS H 1 85 LYS QB . . 3.520 2.167 2.070 2.307 . 0 0 "[ . 1 . 2]" 1
1770 1 85 LYS H 1 85 LYS QD . . 5.420 4.369 3.821 5.024 . 0 0 "[ . 1 . 2]" 1
1771 1 85 LYS H 1 85 LYS HG2 . . 5.470 4.418 3.846 4.633 . 0 0 "[ . 1 . 2]" 1
1772 1 85 LYS H 1 85 LYS HG3 . . 4.340 3.903 3.310 4.617 0.277 12 0 "[ . 1 . 2]" 1
1773 1 85 LYS HA 1 85 LYS QD . . 3.950 3.887 2.472 4.036 0.086 5 0 "[ . 1 . 2]" 1
1774 1 85 LYS HA 1 85 LYS HG2 . . 3.890 2.788 2.263 4.055 0.165 2 0 "[ . 1 . 2]" 1
1775 1 85 LYS HA 1 85 LYS HG3 . . 4.170 2.540 2.205 3.316 . 0 0 "[ . 1 . 2]" 1
1776 1 85 LYS HA 1 86 VAL H . . 2.820 2.371 2.078 2.558 . 0 0 "[ . 1 . 2]" 1
1777 1 85 LYS HA 1 86 VAL HB . . 4.970 4.597 4.435 4.789 . 0 0 "[ . 1 . 2]" 1
1778 1 85 LYS HA 1 86 VAL MG2 . . 3.830 3.387 3.096 3.692 . 0 0 "[ . 1 . 2]" 1
1779 1 85 LYS QB 1 86 VAL H . . 4.330 3.367 2.615 3.936 . 0 0 "[ . 1 . 2]" 1
1780 1 85 LYS QB 1 87 TYR QE . . 4.440 3.502 2.467 4.547 0.107 5 0 "[ . 1 . 2]" 1
1781 1 85 LYS QD 1 85 LYS HG2 . . 2.730 2.306 2.135 2.448 . 0 0 "[ . 1 . 2]" 1
1782 1 85 LYS QD 1 86 VAL H . . 5.500 4.582 3.014 5.442 . 0 0 "[ . 1 . 2]" 1
1783 1 85 LYS QD 1 87 TYR QD . . 4.500 4.406 3.801 4.614 0.114 12 0 "[ . 1 . 2]" 1
1784 1 85 LYS QD 1 87 TYR QE . . 4.270 3.000 2.295 4.276 0.006 17 0 "[ . 1 . 2]" 1
1785 1 85 LYS QE 1 108 GLU QG . . 5.150 3.645 2.030 4.503 . 0 0 "[ . 1 . 2]" 1
1786 1 85 LYS HG2 1 86 VAL H . . 4.880 3.252 2.220 4.008 . 0 0 "[ . 1 . 2]" 1
1787 1 85 LYS HG2 1 108 GLU HA . . 5.310 5.163 4.519 5.909 0.599 2 1 "[ + . 1 . 2]" 1
1788 1 85 LYS HG2 1 108 GLU QG . . 4.320 3.067 2.339 4.289 . 0 0 "[ . 1 . 2]" 1
1789 1 85 LYS HG3 1 86 VAL H . . 5.500 3.795 1.916 4.724 . 0 0 "[ . 1 . 2]" 1
1790 1 86 VAL H 1 86 VAL HB . . 3.520 2.726 2.393 3.165 . 0 0 "[ . 1 . 2]" 1
1791 1 86 VAL H 1 86 VAL MG1 . . 4.280 3.888 3.730 4.074 . 0 0 "[ . 1 . 2]" 1
1792 1 86 VAL H 1 86 VAL MG2 . . 3.720 2.701 2.102 3.118 . 0 0 "[ . 1 . 2]" 1
1793 1 86 VAL H 1 87 TYR H . . 5.480 4.261 3.874 4.557 . 0 0 "[ . 1 . 2]" 1
1794 1 86 VAL H 1 108 GLU QG . . 4.280 3.642 2.777 4.189 . 0 0 "[ . 1 . 2]" 1
1795 1 86 VAL HA 1 86 VAL MG1 . . 3.200 2.307 2.218 2.468 . 0 0 "[ . 1 . 2]" 1
1796 1 86 VAL HA 1 86 VAL MG2 . . 3.280 2.462 2.301 2.567 . 0 0 "[ . 1 . 2]" 1
1797 1 86 VAL HA 1 87 TYR H . . 2.780 2.206 2.146 2.306 . 0 0 "[ . 1 . 2]" 1
1798 1 86 VAL HA 1 87 TYR HB2 . . 4.590 4.307 4.187 4.419 . 0 0 "[ . 1 . 2]" 1
1799 1 86 VAL HA 1 87 TYR QD . . 4.160 3.891 3.405 4.234 0.074 16 0 "[ . 1 . 2]" 1
1800 1 86 VAL HB 1 87 TYR H . . 4.880 4.228 3.982 4.382 . 0 0 "[ . 1 . 2]" 1
1801 1 86 VAL HB 1 109 LEU H . . 4.920 4.097 3.666 4.596 . 0 0 "[ . 1 . 2]" 1
1802 1 86 VAL HB 1 109 LEU HB3 . . 3.660 3.571 3.085 3.733 0.073 6 0 "[ . 1 . 2]" 1
1803 1 86 VAL HB 1 109 LEU MD2 . . 4.630 4.356 3.281 4.739 0.109 6 0 "[ . 1 . 2]" 1
1804 1 86 VAL MG1 1 87 TYR H . . 3.540 2.824 2.308 3.092 . 0 0 "[ . 1 . 2]" 1
1805 1 86 VAL MG1 1 87 TYR HA . . 5.030 3.978 3.713 4.216 . 0 0 "[ . 1 . 2]" 1
1806 1 86 VAL MG1 1 87 TYR QD . . 5.000 4.922 4.567 5.139 0.139 3 0 "[ . 1 . 2]" 1
1807 1 86 VAL MG1 1 109 LEU H . . 5.500 3.860 3.510 4.155 . 0 0 "[ . 1 . 2]" 1
1808 1 86 VAL MG1 1 109 LEU HB3 . . 3.560 2.504 2.153 2.893 . 0 0 "[ . 1 . 2]" 1
1809 1 86 VAL MG2 1 87 TYR H . . 4.650 4.222 3.928 4.360 . 0 0 "[ . 1 . 2]" 1
1810 1 87 TYR H 1 87 TYR HB2 . . 3.870 2.251 2.129 2.402 . 0 0 "[ . 1 . 2]" 1
1811 1 87 TYR H 1 87 TYR HB3 . . 3.440 3.466 3.418 3.511 0.071 6 0 "[ . 1 . 2]" 1
1812 1 87 TYR H 1 87 TYR QD . . 4.280 2.933 2.586 3.424 . 0 0 "[ . 1 . 2]" 1
1813 1 87 TYR H 1 88 ARG H . . 5.500 4.449 4.368 4.530 . 0 0 "[ . 1 . 2]" 1
1814 1 87 TYR H 1 108 GLU HA . . 5.240 4.851 4.617 5.080 . 0 0 "[ . 1 . 2]" 1
1815 1 87 TYR H 1 109 LEU H . . 5.500 4.285 4.003 4.473 . 0 0 "[ . 1 . 2]" 1
1816 1 87 TYR HA 1 87 TYR QD . . 3.760 3.015 2.919 3.172 . 0 0 "[ . 1 . 2]" 1
1817 1 87 TYR HA 1 88 ARG H . . 2.940 2.293 2.231 2.391 . 0 0 "[ . 1 . 2]" 1
1818 1 87 TYR HA 1 88 ARG HB2 . . 4.750 4.554 4.447 4.802 0.052 10 0 "[ . 1 . 2]" 1
1819 1 87 TYR HA 1 108 GLU HA . . 2.920 2.308 2.011 2.572 . 0 0 "[ . 1 . 2]" 1
1820 1 87 TYR HA 1 108 GLU HB2 . . 5.500 4.827 4.315 5.093 . 0 0 "[ . 1 . 2]" 1
1821 1 87 TYR HA 1 108 GLU QG . . 5.450 3.873 3.410 4.271 . 0 0 "[ . 1 . 2]" 1
1822 1 87 TYR HA 1 109 LEU H . . 3.370 2.102 1.822 2.384 . 0 0 "[ . 1 . 2]" 1
1823 1 87 TYR HA 1 109 LEU HB2 . . 3.630 3.560 3.419 3.694 0.064 19 0 "[ . 1 . 2]" 1
1824 1 87 TYR HA 1 109 LEU MD2 . . 4.960 5.017 4.866 5.068 0.108 10 0 "[ . 1 . 2]" 1
1825 1 87 TYR HB2 1 88 ARG H . . 3.860 3.890 3.581 3.932 0.072 17 0 "[ . 1 . 2]" 1
1826 1 87 TYR HB2 1 106 LEU HB3 . . 5.500 4.419 4.114 4.750 . 0 0 "[ . 1 . 2]" 1
1827 1 87 TYR HB2 1 106 LEU MD1 . . 3.970 3.506 3.226 4.044 0.074 5 0 "[ . 1 . 2]" 1
1828 1 87 TYR HB2 1 107 GLU H . . 5.500 5.477 5.098 5.578 0.078 6 0 "[ . 1 . 2]" 1
1829 1 87 TYR HB2 1 108 GLU HA . . 4.970 4.887 4.646 5.056 0.086 17 0 "[ . 1 . 2]" 1
1830 1 87 TYR HB3 1 88 ARG H . . 4.480 2.594 2.125 2.713 . 0 0 "[ . 1 . 2]" 1
1831 1 87 TYR HB3 1 88 ARG HA . . 4.540 4.398 4.021 4.543 0.003 12 0 "[ . 1 . 2]" 1
1832 1 87 TYR HB3 1 88 ARG HB2 . . 5.130 5.170 5.064 5.221 0.091 10 0 "[ . 1 . 2]" 1
1833 1 87 TYR HB3 1 89 PHE QB . . 5.230 4.588 4.372 4.874 . 0 0 "[ . 1 . 2]" 1
1834 1 87 TYR HB3 1 106 LEU HB2 . . 4.480 3.758 3.500 4.045 . 0 0 "[ . 1 . 2]" 1
1835 1 87 TYR HB3 1 106 LEU HB3 . . 4.390 2.839 2.502 3.173 . 0 0 "[ . 1 . 2]" 1
1836 1 87 TYR HB3 1 106 LEU MD1 . . 3.740 2.760 2.529 3.255 . 0 0 "[ . 1 . 2]" 1
1837 1 87 TYR QD 1 88 ARG H . . 5.500 3.272 3.024 3.529 . 0 0 "[ . 1 . 2]" 1
1838 1 87 TYR QD 1 106 LEU HB2 . . 3.770 2.411 2.232 2.656 . 0 0 "[ . 1 . 2]" 1
1839 1 87 TYR QD 1 106 LEU HB3 . . 3.520 2.136 2.064 2.236 . 0 0 "[ . 1 . 2]" 1
1840 1 87 TYR QD 1 106 LEU MD1 . . 4.820 3.182 2.905 3.432 . 0 0 "[ . 1 . 2]" 1
1841 1 87 TYR QD 1 107 GLU H . . 5.500 2.824 2.349 3.118 . 0 0 "[ . 1 . 2]" 1
1842 1 87 TYR QD 1 108 GLU HA . . 3.770 3.517 3.203 3.746 . 0 0 "[ . 1 . 2]" 1
1843 1 87 TYR QE 1 106 LEU HB2 . . 3.960 3.171 2.907 3.400 . 0 0 "[ . 1 . 2]" 1
1844 1 87 TYR QE 1 106 LEU HB3 . . 3.850 3.933 3.875 3.952 0.102 6 0 "[ . 1 . 2]" 1
1845 1 87 TYR QE 1 107 GLU HA . . 4.250 4.121 3.717 4.346 0.096 6 0 "[ . 1 . 2]" 1
1846 1 87 TYR QE 1 108 GLU HB2 . . 4.130 3.995 3.589 4.221 0.091 4 0 "[ . 1 . 2]" 1
1847 1 88 ARG H 1 88 ARG HB2 . . 3.490 2.720 2.553 3.351 . 0 0 "[ . 1 . 2]" 1
1848 1 88 ARG H 1 88 ARG HB3 . . 3.420 2.438 2.168 2.592 . 0 0 "[ . 1 . 2]" 1
1849 1 88 ARG H 1 88 ARG QD . . 5.470 4.606 4.344 5.017 . 0 0 "[ . 1 . 2]" 1
1850 1 88 ARG H 1 88 ARG HG3 . . 5.500 4.482 4.411 4.554 . 0 0 "[ . 1 . 2]" 1
1851 1 88 ARG H 1 89 PHE H . . 4.910 4.536 4.354 4.615 . 0 0 "[ . 1 . 2]" 1
1852 1 88 ARG H 1 106 LEU HB2 . . 5.050 5.035 4.894 5.121 0.071 9 0 "[ . 1 . 2]" 1
1853 1 88 ARG H 1 106 LEU HB3 . . 4.930 3.554 3.420 3.707 . 0 0 "[ . 1 . 2]" 1
1854 1 88 ARG H 1 106 LEU MD1 . . 5.430 4.306 4.081 4.538 . 0 0 "[ . 1 . 2]" 1
1855 1 88 ARG H 1 107 GLU H . . 4.650 2.895 2.714 3.186 . 0 0 "[ . 1 . 2]" 1
1856 1 88 ARG H 1 107 GLU HA . . 5.250 4.702 4.590 4.778 . 0 0 "[ . 1 . 2]" 1
1857 1 88 ARG H 1 108 GLU HA . . 4.160 3.762 3.540 3.934 . 0 0 "[ . 1 . 2]" 1
1858 1 88 ARG H 1 109 LEU H . . 4.440 3.319 2.845 3.759 . 0 0 "[ . 1 . 2]" 1
1859 1 88 ARG H 1 109 LEU HA . . 5.500 4.914 4.759 5.195 . 0 0 "[ . 1 . 2]" 1
1860 1 88 ARG H 1 109 LEU HB2 . . 4.760 2.994 2.803 3.375 . 0 0 "[ . 1 . 2]" 1
1861 1 88 ARG H 1 109 LEU HB3 . . 5.500 3.981 3.547 4.246 . 0 0 "[ . 1 . 2]" 1
1862 1 88 ARG H 1 109 LEU MD2 . . 5.500 4.558 4.126 4.994 . 0 0 "[ . 1 . 2]" 1
1863 1 88 ARG HA 1 88 ARG QD . . 4.250 3.098 2.331 3.965 . 0 0 "[ . 1 . 2]" 1
1864 1 88 ARG HA 1 88 ARG HG3 . . 3.750 2.736 2.409 3.030 . 0 0 "[ . 1 . 2]" 1
1865 1 88 ARG HA 1 89 PHE H . . 2.830 2.371 2.252 2.461 . 0 0 "[ . 1 . 2]" 1
1866 1 88 ARG HA 1 89 PHE QB . . 5.190 4.190 3.769 4.365 . 0 0 "[ . 1 . 2]" 1
1867 1 88 ARG HA 1 107 GLU HB2 . . 4.940 4.855 4.461 5.021 0.081 19 0 "[ . 1 . 2]" 1
1868 1 88 ARG HA 1 109 LEU H . . 5.180 5.054 4.699 5.253 0.073 5 0 "[ . 1 . 2]" 1
1869 1 88 ARG HA 1 109 LEU HB2 . . 4.750 3.241 2.974 3.714 . 0 0 "[ . 1 . 2]" 1
1870 1 88 ARG HA 1 109 LEU MD1 . . 4.980 3.822 2.794 4.536 . 0 0 "[ . 1 . 2]" 1
1871 1 88 ARG HA 1 109 LEU MD2 . . 4.970 3.021 2.528 3.859 . 0 0 "[ . 1 . 2]" 1
1872 1 88 ARG HB2 1 88 ARG QD . . 2.980 2.319 2.167 2.628 . 0 0 "[ . 1 . 2]" 1
1873 1 88 ARG HB2 1 89 PHE H . . 4.570 4.063 3.602 4.280 . 0 0 "[ . 1 . 2]" 1
1874 1 88 ARG HB2 1 107 GLU HB2 . . 4.110 2.765 2.310 3.792 . 0 0 "[ . 1 . 2]" 1
1875 1 88 ARG HB2 1 109 LEU HB2 . . 3.450 2.344 2.149 2.576 . 0 0 "[ . 1 . 2]" 1
1876 1 88 ARG HB3 1 88 ARG QD . . 3.700 3.240 2.578 3.527 . 0 0 "[ . 1 . 2]" 1
1877 1 88 ARG HB3 1 88 ARG HG2 . . 2.480 2.244 2.164 2.368 . 0 0 "[ . 1 . 2]" 1
1878 1 88 ARG HB3 1 89 PHE H . . 5.250 3.798 3.569 4.121 . 0 0 "[ . 1 . 2]" 1
1879 1 88 ARG HB3 1 107 GLU H . . 4.300 2.747 2.049 4.023 . 0 0 "[ . 1 . 2]" 1
1880 1 88 ARG HB3 1 109 LEU HB2 . . 4.770 3.684 2.438 3.981 . 0 0 "[ . 1 . 2]" 1
1881 1 88 ARG HB3 1 109 LEU MD1 . . 4.520 3.947 3.190 4.595 0.075 5 0 "[ . 1 . 2]" 1
1882 1 88 ARG QD 1 109 LEU HA . . 5.410 5.067 4.628 5.503 0.093 13 0 "[ . 1 . 2]" 1
1883 1 88 ARG QD 1 109 LEU HB2 . . 4.180 3.648 3.250 4.284 0.104 15 0 "[ . 1 . 2]" 1
1884 1 88 ARG QD 1 109 LEU MD1 . . 4.000 2.282 1.859 2.979 . 0 0 "[ . 1 . 2]" 1
1885 1 88 ARG QD 1 109 LEU MD2 . . 4.180 2.853 2.095 4.020 . 0 0 "[ . 1 . 2]" 1
1886 1 88 ARG HG2 1 89 PHE H . . 4.600 3.558 3.004 4.102 . 0 0 "[ . 1 . 2]" 1
1887 1 88 ARG HG2 1 89 PHE HA . . 4.530 4.272 3.884 4.586 0.056 19 0 "[ . 1 . 2]" 1
1888 1 88 ARG HG2 1 90 GLU H . . 5.500 5.392 5.026 5.579 0.079 6 0 "[ . 1 . 2]" 1
1889 1 88 ARG HG2 1 107 GLU QG . . 5.200 3.431 2.376 4.180 . 0 0 "[ . 1 . 2]" 1
1890 1 88 ARG HG3 1 89 PHE H . . 4.260 2.091 1.774 2.448 . 0 0 "[ . 1 . 2]" 1
1891 1 88 ARG HG3 1 89 PHE HA . . 3.930 3.748 3.179 4.014 0.084 15 0 "[ . 1 . 2]" 1
1892 1 88 ARG HG3 1 89 PHE QB . . 5.500 4.514 4.150 4.647 . 0 0 "[ . 1 . 2]" 1
1893 1 88 ARG HG3 1 89 PHE QD . . 5.300 4.604 4.177 5.379 0.079 5 0 "[ . 1 . 2]" 1
1894 1 88 ARG HG3 1 90 GLU H . . 5.160 4.911 4.299 5.240 0.080 8 0 "[ . 1 . 2]" 1
1895 1 89 PHE H 1 89 PHE QB . . 3.690 2.800 2.532 2.924 . 0 0 "[ . 1 . 2]" 1
1896 1 89 PHE H 1 89 PHE QD . . 5.120 2.915 2.719 3.516 . 0 0 "[ . 1 . 2]" 1
1897 1 89 PHE H 1 90 GLU H . . 5.060 4.325 4.232 4.478 . 0 0 "[ . 1 . 2]" 1
1898 1 89 PHE H 1 106 LEU MD1 . . 5.500 4.593 4.433 4.780 . 0 0 "[ . 1 . 2]" 1
1899 1 89 PHE H 1 106 LEU MD2 . . 5.450 4.216 4.070 4.402 . 0 0 "[ . 1 . 2]" 1
1900 1 89 PHE HA 1 90 GLU H . . 3.100 2.571 2.490 2.748 . 0 0 "[ . 1 . 2]" 1
1901 1 89 PHE HA 1 90 GLU HB3 . . 5.180 4.805 4.351 5.713 0.533 12 1 "[ . 1 + . 2]" 1
1902 1 89 PHE HA 1 106 LEU MD1 . . 4.380 2.947 2.719 3.293 . 0 0 "[ . 1 . 2]" 1
1903 1 89 PHE HA 1 106 LEU MD2 . . 3.990 2.017 1.927 2.173 . 0 0 "[ . 1 . 2]" 1
1904 1 89 PHE QB 1 90 GLU H . . 5.270 3.272 3.062 3.769 . 0 0 "[ . 1 . 2]" 1
1905 1 89 PHE QB 1 97 ALA HA . . 4.060 2.992 2.784 3.367 . 0 0 "[ . 1 . 2]" 1
1906 1 89 PHE QB 1 106 LEU MD1 . . 4.080 2.554 2.379 2.889 . 0 0 "[ . 1 . 2]" 1
1907 1 89 PHE QB 1 106 LEU MD2 . . 4.040 2.727 2.510 3.243 . 0 0 "[ . 1 . 2]" 1
1908 1 89 PHE QD 1 90 GLU H . . 4.370 3.315 3.113 3.537 . 0 0 "[ . 1 . 2]" 1
1909 1 89 PHE QD 1 91 GLY H . . 4.300 3.532 3.186 4.362 0.062 8 0 "[ . 1 . 2]" 1
1910 1 89 PHE QD 1 91 GLY HA2 . . 5.050 4.862 4.543 5.145 0.095 8 0 "[ . 1 . 2]" 1
1911 1 89 PHE QD 1 92 GLY HA3 . . 3.370 3.433 3.306 3.466 0.096 12 0 "[ . 1 . 2]" 1
1912 1 89 PHE QD 1 96 GLU HB2 . . 3.990 3.958 3.777 4.074 0.084 7 0 "[ . 1 . 2]" 1
1913 1 89 PHE QD 1 96 GLU HB3 . . 3.950 4.024 3.964 4.045 0.095 11 0 "[ . 1 . 2]" 1
1914 1 89 PHE QD 1 96 GLU HG3 . . 5.500 5.620 5.538 6.354 0.854 9 1 "[ . +1 . 2]" 1
1915 1 89 PHE QD 1 97 ALA H . . 4.220 3.705 3.330 3.998 . 0 0 "[ . 1 . 2]" 1
1916 1 89 PHE QD 1 97 ALA HA . . 3.210 3.060 2.708 3.292 0.082 1 0 "[ . 1 . 2]" 1
1917 1 89 PHE QD 1 97 ALA MB . . 3.290 3.028 2.707 3.386 0.096 2 0 "[ . 1 . 2]" 1
1918 1 89 PHE QD 1 106 LEU MD1 . . 4.220 4.218 3.936 4.325 0.105 13 0 "[ . 1 . 2]" 1
1919 1 89 PHE QD 1 106 LEU MD2 . . 3.850 3.948 3.824 3.977 0.127 18 0 "[ . 1 . 2]" 1
1920 1 89 PHE QE 1 97 ALA H . . 5.500 4.484 3.985 4.923 . 0 0 "[ . 1 . 2]" 1
1921 1 90 GLU H 1 90 GLU HB3 . . 3.960 3.199 2.844 3.918 . 0 0 "[ . 1 . 2]" 1
1922 1 90 GLU H 1 90 GLU QG . . 4.310 3.859 2.388 4.358 0.048 9 0 "[ . 1 . 2]" 1
1923 1 90 GLU H 1 91 GLY H . . 4.360 3.107 2.439 4.124 . 0 0 "[ . 1 . 2]" 1
1924 1 90 GLU H 1 91 GLY HA3 . . 5.500 4.957 4.555 5.471 . 0 0 "[ . 1 . 2]" 1
1925 1 90 GLU H 1 92 GLY HA3 . . 5.440 5.436 5.180 5.518 0.078 5 0 "[ . 1 . 2]" 1
1926 1 90 GLU H 1 106 LEU MD2 . . 5.500 3.272 2.980 3.785 . 0 0 "[ . 1 . 2]" 1
1927 1 90 GLU HA 1 90 GLU HB2 . . 2.960 2.565 2.379 3.039 0.079 12 0 "[ . 1 . 2]" 1
1928 1 90 GLU HA 1 91 GLY H . . 3.590 2.433 2.127 2.926 . 0 0 "[ . 1 . 2]" 1
1929 1 90 GLU HA 1 91 GLY HA2 . . 4.660 4.334 4.137 4.598 . 0 0 "[ . 1 . 2]" 1
1930 1 90 GLU HB2 1 90 GLU QG . . 2.670 2.384 2.140 2.536 . 0 0 "[ . 1 . 2]" 1
1931 1 90 GLU HB2 1 91 GLY H . . 4.940 4.506 4.122 4.707 . 0 0 "[ . 1 . 2]" 1
1932 1 90 GLU HB3 1 91 GLY H . . 4.370 4.391 4.237 4.451 0.081 5 0 "[ . 1 . 2]" 1
1933 1 90 GLU QG 1 91 GLY H . . 5.500 4.000 2.732 4.596 . 0 0 "[ . 1 . 2]" 1
1934 1 91 GLY H 1 92 GLY H . . 4.450 3.688 3.253 4.373 . 0 0 "[ . 1 . 2]" 1
1935 1 91 GLY HA2 1 92 GLY H . . 3.290 2.257 2.199 2.397 . 0 0 "[ . 1 . 2]" 1
1936 1 92 GLY H 1 93 THR H . . 5.500 4.293 4.195 4.378 . 0 0 "[ . 1 . 2]" 1
1937 1 92 GLY H 1 93 THR HA . . 5.150 4.694 4.547 4.995 . 0 0 "[ . 1 . 2]" 1
1938 1 92 GLY H 1 93 THR MG . . 5.500 4.849 4.485 5.151 . 0 0 "[ . 1 . 2]" 1
1939 1 92 GLY HA2 1 93 THR H . . 3.440 2.393 2.288 2.476 . 0 0 "[ . 1 . 2]" 1
1940 1 92 GLY HA2 1 93 THR MG . . 4.930 3.831 3.693 3.961 . 0 0 "[ . 1 . 2]" 1
1941 1 92 GLY HA2 1 96 GLU H . . 5.050 5.068 4.849 5.121 0.071 16 0 "[ . 1 . 2]" 1
1942 1 92 GLY HA2 1 96 GLU HB2 . . 3.300 3.334 3.114 3.379 0.079 17 0 "[ . 1 . 2]" 1
1943 1 92 GLY HA2 1 97 ALA H . . 5.500 5.541 5.428 5.580 0.080 4 0 "[ . 1 . 2]" 1
1944 1 92 GLY HA3 1 93 THR H . . 3.300 2.844 2.687 2.939 . 0 0 "[ . 1 . 2]" 1
1945 1 92 GLY HA3 1 93 THR MG . . 4.680 4.742 4.642 4.779 0.099 11 0 "[ . 1 . 2]" 1
1946 1 92 GLY HA3 1 96 GLU H . . 4.800 4.365 4.203 4.534 . 0 0 "[ . 1 . 2]" 1
1947 1 92 GLY HA3 1 96 GLU HB2 . . 5.310 2.283 2.135 2.414 . 0 0 "[ . 1 . 2]" 1
1948 1 92 GLY HA3 1 96 GLU HG3 . . 4.540 2.694 2.489 4.083 . 0 0 "[ . 1 . 2]" 1
1949 1 93 THR H 1 93 THR MG . . 3.500 2.598 2.397 2.988 . 0 0 "[ . 1 . 2]" 1
1950 1 93 THR H 1 95 GLN HB3 . . 5.380 5.157 4.784 5.454 0.074 1 0 "[ . 1 . 2]" 1
1951 1 93 THR H 1 96 GLU H . . 4.570 3.373 3.242 3.526 . 0 0 "[ . 1 . 2]" 1
1952 1 93 THR H 1 96 GLU HB2 . . 3.520 2.682 2.519 2.869 . 0 0 "[ . 1 . 2]" 1
1953 1 93 THR H 1 96 GLU HB3 . . 4.240 3.907 3.762 4.097 . 0 0 "[ . 1 . 2]" 1
1954 1 93 THR H 1 96 GLU HG2 . . 4.710 2.359 1.862 2.942 . 0 0 "[ . 1 . 2]" 1
1955 1 93 THR H 1 96 GLU HG3 . . 4.850 2.385 1.823 4.091 . 0 0 "[ . 1 . 2]" 1
1956 1 93 THR HA 1 93 THR MG . . 3.080 2.335 2.253 2.451 . 0 0 "[ . 1 . 2]" 1
1957 1 93 THR HA 1 94 VAL H . . 3.090 2.519 2.438 2.638 . 0 0 "[ . 1 . 2]" 1
1958 1 93 THR HA 1 94 VAL HA . . 4.950 4.321 4.122 4.441 . 0 0 "[ . 1 . 2]" 1
1959 1 93 THR HA 1 94 VAL HB . . 5.040 5.046 4.935 5.121 0.081 18 0 "[ . 1 . 2]" 1
1960 1 93 THR HA 1 94 VAL MG2 . . 4.440 3.907 3.790 4.103 . 0 0 "[ . 1 . 2]" 1
1961 1 93 THR HA 1 95 GLN H . . 5.090 4.735 4.578 4.881 . 0 0 "[ . 1 . 2]" 1
1962 1 93 THR HA 1 96 GLU H . . 4.780 4.671 4.562 4.849 0.069 11 0 "[ . 1 . 2]" 1
1963 1 93 THR HB 1 94 VAL H . . 3.150 2.487 2.264 2.746 . 0 0 "[ . 1 . 2]" 1
1964 1 93 THR HB 1 94 VAL HB . . 5.260 4.101 3.787 4.430 . 0 0 "[ . 1 . 2]" 1
1965 1 93 THR HB 1 94 VAL MG2 . . 4.340 4.000 3.636 4.415 0.075 7 0 "[ . 1 . 2]" 1
1966 1 93 THR HB 1 95 GLN H . . 3.810 3.412 3.065 3.754 . 0 0 "[ . 1 . 2]" 1
1967 1 93 THR MG 1 94 VAL H . . 4.650 3.737 3.562 3.938 . 0 0 "[ . 1 . 2]" 1
1968 1 93 THR MG 1 95 GLN H . . 5.500 4.748 4.474 5.150 . 0 0 "[ . 1 . 2]" 1
1969 1 93 THR MG 1 96 GLU H . . 5.490 4.902 4.585 5.434 . 0 0 "[ . 1 . 2]" 1
1970 1 93 THR MG 1 96 GLU HB2 . . 5.500 4.881 4.653 5.300 . 0 0 "[ . 1 . 2]" 1
1971 1 94 VAL H 1 94 VAL HB . . 3.280 2.580 2.462 2.816 . 0 0 "[ . 1 . 2]" 1
1972 1 94 VAL H 1 94 VAL MG2 . . 3.340 2.000 1.897 2.160 . 0 0 "[ . 1 . 2]" 1
1973 1 94 VAL H 1 95 GLN H . . 3.770 3.265 3.133 3.438 . 0 0 "[ . 1 . 2]" 1
1974 1 94 VAL H 1 96 GLU H . . 5.460 4.528 4.400 4.649 . 0 0 "[ . 1 . 2]" 1
1975 1 94 VAL H 1 97 ALA MB . . 5.500 4.952 4.481 5.218 . 0 0 "[ . 1 . 2]" 1
1976 1 94 VAL HA 1 94 VAL MG1 . . 3.320 2.495 2.368 2.593 . 0 0 "[ . 1 . 2]" 1
1977 1 94 VAL HA 1 94 VAL MG2 . . 3.230 2.356 2.220 2.734 . 0 0 "[ . 1 . 2]" 1
1978 1 94 VAL HA 1 95 GLN HA . . 5.220 4.695 4.651 4.782 . 0 0 "[ . 1 . 2]" 1
1979 1 94 VAL HA 1 96 GLU H . . 5.190 4.147 3.938 4.296 . 0 0 "[ . 1 . 2]" 1
1980 1 94 VAL HA 1 97 ALA H . . 4.030 3.666 3.497 3.896 . 0 0 "[ . 1 . 2]" 1
1981 1 94 VAL HA 1 97 ALA MB . . 3.440 2.854 2.409 3.157 . 0 0 "[ . 1 . 2]" 1
1982 1 94 VAL HA 1 98 ILE H . . 5.110 5.011 4.690 5.172 0.062 15 0 "[ . 1 . 2]" 1
1983 1 94 VAL HA 1 98 ILE MD . . 5.500 4.159 4.012 4.353 . 0 0 "[ . 1 . 2]" 1
1984 1 94 VAL HB 1 95 GLN H . . 3.390 2.817 2.427 3.130 . 0 0 "[ . 1 . 2]" 1
1985 1 94 VAL MG1 1 95 GLN H . . 4.600 3.368 3.202 3.512 . 0 0 "[ . 1 . 2]" 1
1986 1 94 VAL MG1 1 95 GLN HA . . 5.350 3.457 3.257 3.686 . 0 0 "[ . 1 . 2]" 1
1987 1 94 VAL MG1 1 98 ILE H . . 4.810 4.788 4.556 4.884 0.074 10 0 "[ . 1 . 2]" 1
1988 1 94 VAL MG1 1 98 ILE HB . . 5.500 5.311 5.073 5.456 . 0 0 "[ . 1 . 2]" 1
1989 1 94 VAL MG1 1 98 ILE MD . . 3.320 2.824 2.498 3.001 . 0 0 "[ . 1 . 2]" 1
1990 1 95 GLN H 1 95 GLN HB2 . . 3.200 2.256 2.115 2.470 . 0 0 "[ . 1 . 2]" 1
1991 1 95 GLN H 1 95 GLN HB3 . . 3.320 2.882 2.699 3.120 . 0 0 "[ . 1 . 2]" 1
1992 1 95 GLN H 1 95 GLN QG . . 4.250 3.880 3.680 4.039 . 0 0 "[ . 1 . 2]" 1
1993 1 95 GLN H 1 96 GLU H . . 3.710 2.972 2.869 3.149 . 0 0 "[ . 1 . 2]" 1
1994 1 95 GLN H 1 97 ALA H . . 5.200 4.639 4.469 4.806 . 0 0 "[ . 1 . 2]" 1
1995 1 95 GLN H 1 98 ILE H . . 5.500 5.206 5.004 5.317 . 0 0 "[ . 1 . 2]" 1
1996 1 95 GLN H 1 98 ILE MD . . 5.500 5.236 5.045 5.382 . 0 0 "[ . 1 . 2]" 1
1997 1 95 GLN HA 1 95 GLN QG . . 3.380 2.268 2.128 2.517 . 0 0 "[ . 1 . 2]" 1
1998 1 95 GLN HA 1 96 GLU HA . . 5.050 4.837 4.783 4.874 . 0 0 "[ . 1 . 2]" 1
1999 1 95 GLN HA 1 96 GLU HB2 . . 5.500 5.588 5.581 5.594 0.094 5 0 "[ . 1 . 2]" 1
2000 1 95 GLN HA 1 97 ALA H . . 5.290 4.534 4.410 4.670 . 0 0 "[ . 1 . 2]" 1
2001 1 95 GLN HA 1 98 ILE H . . 3.990 3.420 3.289 3.649 . 0 0 "[ . 1 . 2]" 1
2002 1 95 GLN HA 1 98 ILE HB . . 3.490 3.302 3.160 3.462 . 0 0 "[ . 1 . 2]" 1
2003 1 95 GLN HA 1 98 ILE MD . . 3.810 3.856 3.713 3.913 0.103 5 0 "[ . 1 . 2]" 1
2004 1 95 GLN HA 1 98 ILE HG12 . . 4.900 2.374 2.226 2.508 . 0 0 "[ . 1 . 2]" 1
2005 1 95 GLN HA 1 98 ILE HG13 . . 5.030 3.007 2.808 3.179 . 0 0 "[ . 1 . 2]" 1
2006 1 95 GLN HA 1 98 ILE MG . . 4.530 4.444 4.345 4.514 . 0 0 "[ . 1 . 2]" 1
2007 1 95 GLN HA 1 99 ASP H . . 4.360 3.956 3.841 4.097 . 0 0 "[ . 1 . 2]" 1
2008 1 95 GLN HB3 1 96 GLU H . . 3.580 3.059 2.643 3.272 . 0 0 "[ . 1 . 2]" 1
2009 1 95 GLN HB3 1 96 GLU HA . . 5.280 4.135 3.822 4.323 . 0 0 "[ . 1 . 2]" 1
2010 1 95 GLN HB3 1 99 ASP HB2 . . 4.580 4.572 4.192 4.659 0.079 10 0 "[ . 1 . 2]" 1
2011 1 95 GLN QG 1 99 ASP H . . 4.960 3.714 3.254 4.647 . 0 0 "[ . 1 . 2]" 1
2012 1 96 GLU H 1 96 GLU HB2 . . 3.240 2.210 2.157 2.250 . 0 0 "[ . 1 . 2]" 1
2013 1 96 GLU H 1 96 GLU HB3 . . 3.940 3.501 3.451 3.544 . 0 0 "[ . 1 . 2]" 1
2014 1 96 GLU H 1 96 GLU HG2 . . 3.670 2.622 2.208 3.983 0.313 9 0 "[ . 1 . 2]" 1
2015 1 96 GLU H 1 96 GLU HG3 . . 4.030 3.732 3.387 3.973 . 0 0 "[ . 1 . 2]" 1
2016 1 96 GLU H 1 97 ALA H . . 3.380 2.472 2.329 2.588 . 0 0 "[ . 1 . 2]" 1
2017 1 96 GLU H 1 97 ALA MB . . 5.330 3.920 3.727 3.997 . 0 0 "[ . 1 . 2]" 1
2018 1 96 GLU H 1 98 ILE HB . . 5.410 5.496 5.482 5.505 0.095 10 0 "[ . 1 . 2]" 1
2019 1 96 GLU H 1 100 ALA MB . . 5.500 5.611 5.597 5.620 0.120 13 0 "[ . 1 . 2]" 1
2020 1 96 GLU HA 1 96 GLU HG2 . . 3.860 3.149 2.773 3.677 . 0 0 "[ . 1 . 2]" 1
2021 1 96 GLU HA 1 96 GLU HG3 . . 3.820 3.720 2.429 3.849 0.029 6 0 "[ . 1 . 2]" 1
2022 1 96 GLU HA 1 97 ALA HA . . 4.820 4.883 4.866 4.896 0.076 14 0 "[ . 1 . 2]" 1
2023 1 96 GLU HA 1 98 ILE H . . 5.410 3.900 3.767 4.107 . 0 0 "[ . 1 . 2]" 1
2024 1 96 GLU HA 1 98 ILE HG12 . . 5.310 5.178 5.086 5.367 0.057 14 0 "[ . 1 . 2]" 1
2025 1 96 GLU HA 1 99 ASP H . . 4.120 3.336 3.181 3.501 . 0 0 "[ . 1 . 2]" 1
2026 1 96 GLU HA 1 99 ASP HA . . 5.240 5.201 5.022 5.315 0.075 5 0 "[ . 1 . 2]" 1
2027 1 96 GLU HA 1 99 ASP HB2 . . 4.290 2.675 2.194 3.624 . 0 0 "[ . 1 . 2]" 1
2028 1 96 GLU HA 1 99 ASP HB3 . . 3.550 3.391 2.362 3.630 0.080 4 0 "[ . 1 . 2]" 1
2029 1 96 GLU HB2 1 97 ALA H . . 3.760 2.429 2.352 2.526 . 0 0 "[ . 1 . 2]" 1
2030 1 96 GLU HB2 1 97 ALA MB . . 5.500 4.020 3.927 4.167 . 0 0 "[ . 1 . 2]" 1
2031 1 96 GLU HB3 1 97 ALA H . . 4.270 3.405 3.310 3.523 . 0 0 "[ . 1 . 2]" 1
2032 1 96 GLU HB3 1 97 ALA HA . . 5.430 4.336 4.188 4.482 . 0 0 "[ . 1 . 2]" 1
2033 1 96 GLU HG2 1 97 ALA H . . 5.500 4.421 4.129 4.984 . 0 0 "[ . 1 . 2]" 1
2034 1 97 ALA H 1 97 ALA MB . . 3.230 2.074 1.942 2.145 . 0 0 "[ . 1 . 2]" 1
2035 1 97 ALA H 1 98 ILE H . . 3.470 2.904 2.844 2.974 . 0 0 "[ . 1 . 2]" 1
2036 1 97 ALA H 1 98 ILE HA . . 5.450 5.507 5.483 5.523 0.073 2 0 "[ . 1 . 2]" 1
2037 1 97 ALA H 1 98 ILE HB . . 5.500 5.464 5.389 5.511 0.011 17 0 "[ . 1 . 2]" 1
2038 1 97 ALA H 1 98 ILE HG12 . . 5.310 4.030 3.894 4.204 . 0 0 "[ . 1 . 2]" 1
2039 1 97 ALA H 1 99 ASP H . . 4.970 4.620 4.455 4.773 . 0 0 "[ . 1 . 2]" 1
2040 1 97 ALA H 1 100 ALA MB . . 5.500 4.551 4.448 4.649 . 0 0 "[ . 1 . 2]" 1
2041 1 97 ALA HA 1 98 ILE HG12 . . 5.500 5.151 5.040 5.306 . 0 0 "[ . 1 . 2]" 1
2042 1 97 ALA HA 1 99 ASP H . . 5.500 5.101 4.905 5.249 . 0 0 "[ . 1 . 2]" 1
2043 1 97 ALA HA 1 100 ALA H . . 4.020 4.065 3.945 4.107 0.087 10 0 "[ . 1 . 2]" 1
2044 1 97 ALA HA 1 100 ALA MB . . 3.520 3.029 2.815 3.308 . 0 0 "[ . 1 . 2]" 1
2045 1 97 ALA HA 1 101 PHE H . . 4.760 4.048 3.887 4.197 . 0 0 "[ . 1 . 2]" 1
2046 1 97 ALA HA 1 106 LEU MD1 . . 4.610 2.761 2.358 2.980 . 0 0 "[ . 1 . 2]" 1
2047 1 97 ALA HA 1 106 LEU MD2 . . 4.920 3.636 3.419 3.900 . 0 0 "[ . 1 . 2]" 1
2048 1 97 ALA MB 1 98 ILE H . . 3.650 2.827 2.538 2.984 . 0 0 "[ . 1 . 2]" 1
2049 1 97 ALA MB 1 98 ILE HA . . 4.780 3.931 3.790 4.096 . 0 0 "[ . 1 . 2]" 1
2050 1 97 ALA MB 1 98 ILE HB . . 5.000 4.874 4.535 4.995 . 0 0 "[ . 1 . 2]" 1
2051 1 97 ALA MB 1 99 ASP H . . 5.500 4.805 4.588 4.966 . 0 0 "[ . 1 . 2]" 1
2052 1 97 ALA MB 1 101 PHE H . . 5.500 4.811 4.590 5.046 . 0 0 "[ . 1 . 2]" 1
2053 1 98 ILE H 1 98 ILE HB . . 3.020 2.710 2.647 2.760 . 0 0 "[ . 1 . 2]" 1
2054 1 98 ILE H 1 98 ILE MD . . 4.610 2.712 2.553 2.847 . 0 0 "[ . 1 . 2]" 1
2055 1 98 ILE H 1 98 ILE HG12 . . 3.280 1.873 1.770 1.954 . 0 0 "[ . 1 . 2]" 1
2056 1 98 ILE H 1 98 ILE HG13 . . 4.220 3.521 3.418 3.623 . 0 0 "[ . 1 . 2]" 1
2057 1 98 ILE H 1 98 ILE MG . . 4.700 3.810 3.765 3.848 . 0 0 "[ . 1 . 2]" 1
2058 1 98 ILE H 1 99 ASP H . . 3.320 2.401 2.286 2.485 . 0 0 "[ . 1 . 2]" 1
2059 1 98 ILE H 1 99 ASP HA . . 5.050 5.064 4.923 5.116 0.066 16 0 "[ . 1 . 2]" 1
2060 1 98 ILE H 1 99 ASP HB2 . . 5.500 4.204 3.942 4.574 . 0 0 "[ . 1 . 2]" 1
2061 1 98 ILE H 1 100 ALA MB . . 4.820 4.456 4.316 4.632 . 0 0 "[ . 1 . 2]" 1
2062 1 98 ILE H 1 101 PHE H . . 4.490 4.484 4.400 4.555 0.065 8 0 "[ . 1 . 2]" 1
2063 1 98 ILE HA 1 98 ILE MD . . 3.750 2.454 2.378 2.525 . 0 0 "[ . 1 . 2]" 1
2064 1 98 ILE HA 1 98 ILE HG12 . . 3.620 3.427 3.359 3.494 . 0 0 "[ . 1 . 2]" 1
2065 1 98 ILE HA 1 98 ILE HG13 . . 3.890 3.948 3.907 3.963 0.073 11 0 "[ . 1 . 2]" 1
2066 1 98 ILE HA 1 98 ILE MG . . 3.220 2.310 2.208 2.377 . 0 0 "[ . 1 . 2]" 1
2067 1 98 ILE HA 1 100 ALA H . . 4.990 4.101 3.884 4.348 . 0 0 "[ . 1 . 2]" 1
2068 1 98 ILE HA 1 101 PHE H . . 4.320 3.453 3.292 3.639 . 0 0 "[ . 1 . 2]" 1
2069 1 98 ILE HA 1 101 PHE HB2 . . 4.030 4.081 3.961 4.116 0.086 10 0 "[ . 1 . 2]" 1
2070 1 98 ILE HA 1 101 PHE QD . . 5.260 2.990 2.737 3.225 . 0 0 "[ . 1 . 2]" 1
2071 1 98 ILE HA 1 102 SER H . . 5.300 3.618 3.396 3.958 . 0 0 "[ . 1 . 2]" 1
2072 1 98 ILE HA 1 102 SER QB . . 4.040 4.040 4.018 4.053 0.013 20 0 "[ . 1 . 2]" 1
2073 1 98 ILE HB 1 98 ILE MD . . 3.520 3.242 3.203 3.274 . 0 0 "[ . 1 . 2]" 1
2074 1 98 ILE HB 1 99 ASP H . . 3.360 2.232 2.051 2.379 . 0 0 "[ . 1 . 2]" 1
2075 1 98 ILE HB 1 99 ASP HA . . 5.110 3.888 3.747 4.020 . 0 0 "[ . 1 . 2]" 1
2076 1 98 ILE HB 1 100 ALA H . . 5.500 4.538 4.431 4.611 . 0 0 "[ . 1 . 2]" 1
2077 1 98 ILE MD 1 98 ILE MG . . 2.920 2.212 2.143 2.285 . 0 0 "[ . 1 . 2]" 1
2078 1 98 ILE MD 1 101 PHE H . . 5.500 5.029 4.834 5.232 . 0 0 "[ . 1 . 2]" 1
2079 1 98 ILE MD 1 101 PHE QD . . 4.300 4.316 4.042 4.428 0.128 20 0 "[ . 1 . 2]" 1
2080 1 98 ILE HG12 1 99 ASP H . . 5.010 3.308 3.152 3.435 . 0 0 "[ . 1 . 2]" 1
2081 1 98 ILE HG12 1 100 ALA H . . 5.100 5.196 5.186 5.202 0.102 5 0 "[ . 1 . 2]" 1
2082 1 98 ILE MG 1 99 ASP H . . 4.510 3.618 3.476 3.709 . 0 0 "[ . 1 . 2]" 1
2083 1 98 ILE MG 1 99 ASP HA . . 4.170 3.916 3.755 4.063 . 0 0 "[ . 1 . 2]" 1
2084 1 98 ILE MG 1 101 PHE QD . . 3.740 3.094 2.815 3.355 . 0 0 "[ . 1 . 2]" 1
2085 1 98 ILE MG 1 102 SER H . . 5.210 3.858 3.609 4.138 . 0 0 "[ . 1 . 2]" 1
2086 1 99 ASP H 1 99 ASP HB2 . . 3.230 2.172 2.088 2.367 . 0 0 "[ . 1 . 2]" 1
2087 1 99 ASP H 1 99 ASP HB3 . . 3.590 3.255 2.385 3.503 . 0 0 "[ . 1 . 2]" 1
2088 1 99 ASP H 1 100 ALA H . . 3.330 2.618 2.498 2.742 . 0 0 "[ . 1 . 2]" 1
2089 1 99 ASP H 1 100 ALA MB . . 5.100 4.344 4.225 4.487 . 0 0 "[ . 1 . 2]" 1
2090 1 99 ASP H 1 101 PHE H . . 4.420 4.399 4.205 4.478 0.058 20 0 "[ . 1 . 2]" 1
2091 1 99 ASP H 1 102 SER H . . 4.620 4.691 4.630 4.716 0.096 12 0 "[ . 1 . 2]" 1
2092 1 99 ASP HA 1 101 PHE H . . 5.080 4.866 4.648 5.117 0.037 12 0 "[ . 1 . 2]" 1
2093 1 99 ASP HA 1 102 SER H . . 4.280 3.793 3.542 4.071 . 0 0 "[ . 1 . 2]" 1
2094 1 99 ASP HB2 1 100 ALA H . . 3.410 3.293 2.788 3.818 0.408 7 0 "[ . 1 . 2]" 1
2095 1 99 ASP HB3 1 100 ALA H . . 3.740 3.363 2.607 3.798 0.058 12 0 "[ . 1 . 2]" 1
2096 1 100 ALA H 1 100 ALA MB . . 3.040 2.270 2.235 2.337 . 0 0 "[ . 1 . 2]" 1
2097 1 100 ALA H 1 101 PHE H . . 3.180 2.580 2.398 2.669 . 0 0 "[ . 1 . 2]" 1
2098 1 100 ALA H 1 101 PHE HB2 . . 5.500 5.265 5.065 5.505 0.005 5 0 "[ . 1 . 2]" 1
2099 1 100 ALA H 1 101 PHE HB3 . . 5.500 4.305 4.192 4.481 . 0 0 "[ . 1 . 2]" 1
2100 1 100 ALA H 1 102 SER H . . 5.310 3.931 3.789 4.120 . 0 0 "[ . 1 . 2]" 1
2101 1 100 ALA H 1 106 LEU MD1 . . 5.500 4.069 3.850 4.319 . 0 0 "[ . 1 . 2]" 1
2102 1 100 ALA H 1 106 LEU HG . . 4.560 4.629 4.602 4.645 0.085 6 0 "[ . 1 . 2]" 1
2103 1 100 ALA HA 1 103 GLU H . . 4.110 3.955 3.604 4.175 0.065 8 0 "[ . 1 . 2]" 1
2104 1 100 ALA HA 1 103 GLU HB2 . . 3.880 3.699 3.160 3.943 0.063 4 0 "[ . 1 . 2]" 1
2105 1 100 ALA HA 1 105 ARG H . . 4.520 3.620 3.360 3.996 . 0 0 "[ . 1 . 2]" 1
2106 1 100 ALA HA 1 105 ARG HB2 . . 3.830 2.481 2.206 2.729 . 0 0 "[ . 1 . 2]" 1
2107 1 100 ALA HA 1 105 ARG HB3 . . 4.180 3.927 2.644 4.238 0.058 20 0 "[ . 1 . 2]" 1
2108 1 100 ALA HA 1 105 ARG HD2 . . 4.990 4.021 3.317 5.032 0.042 11 0 "[ . 1 . 2]" 1
2109 1 100 ALA HA 1 105 ARG HD3 . . 5.090 3.711 2.757 5.127 0.037 20 0 "[ . 1 . 2]" 1
2110 1 100 ALA HA 1 106 LEU MD2 . . 5.360 4.386 4.187 4.822 . 0 0 "[ . 1 . 2]" 1
2111 1 100 ALA MB 1 101 PHE H . . 3.670 2.375 2.216 2.579 . 0 0 "[ . 1 . 2]" 1
2112 1 100 ALA MB 1 101 PHE HB2 . . 5.500 4.209 3.968 4.512 . 0 0 "[ . 1 . 2]" 1
2113 1 100 ALA MB 1 102 SER H . . 5.500 4.521 4.372 4.670 . 0 0 "[ . 1 . 2]" 1
2114 1 100 ALA MB 1 103 GLU H . . 5.500 4.947 4.669 5.132 . 0 0 "[ . 1 . 2]" 1
2115 1 100 ALA MB 1 105 ARG HB3 . . 5.090 3.530 2.764 3.845 . 0 0 "[ . 1 . 2]" 1
2116 1 100 ALA MB 1 106 LEU HB2 . . 4.590 4.193 4.083 4.351 . 0 0 "[ . 1 . 2]" 1
2117 1 100 ALA MB 1 106 LEU MD1 . . 4.890 2.323 2.157 2.547 . 0 0 "[ . 1 . 2]" 1
2118 1 100 ALA MB 1 106 LEU MD2 . . 2.700 2.173 2.054 2.542 . 0 0 "[ . 1 . 2]" 1
2119 1 101 PHE H 1 101 PHE HB2 . . 3.160 2.763 2.623 2.938 . 0 0 "[ . 1 . 2]" 1
2120 1 101 PHE H 1 101 PHE HB3 . . 3.000 2.163 2.069 2.262 . 0 0 "[ . 1 . 2]" 1
2121 1 101 PHE H 1 101 PHE QD . . 4.470 3.992 3.732 4.150 . 0 0 "[ . 1 . 2]" 1
2122 1 101 PHE H 1 102 SER H . . 3.530 2.779 2.616 2.909 . 0 0 "[ . 1 . 2]" 1
2123 1 101 PHE H 1 103 GLU H . . 4.620 4.425 4.184 4.670 0.050 2 0 "[ . 1 . 2]" 1
2124 1 101 PHE H 1 105 ARG H . . 5.500 4.859 4.639 5.036 . 0 0 "[ . 1 . 2]" 1
2125 1 101 PHE H 1 105 ARG HB2 . . 5.190 5.115 4.869 5.259 0.069 20 0 "[ . 1 . 2]" 1
2126 1 101 PHE H 1 106 LEU MD1 . . 4.160 2.516 2.276 2.666 . 0 0 "[ . 1 . 2]" 1
2127 1 101 PHE H 1 106 LEU MD2 . . 5.160 4.113 3.877 4.397 . 0 0 "[ . 1 . 2]" 1
2128 1 101 PHE H 1 106 LEU HG . . 5.500 3.028 2.810 3.240 . 0 0 "[ . 1 . 2]" 1
2129 1 101 PHE HA 1 101 PHE QD . . 3.840 3.060 2.654 3.493 . 0 0 "[ . 1 . 2]" 1
2130 1 101 PHE HA 1 105 ARG H . . 3.860 3.744 3.303 3.936 0.076 15 0 "[ . 1 . 2]" 1
2131 1 101 PHE HA 1 106 LEU H . . 4.150 3.649 3.552 3.762 . 0 0 "[ . 1 . 2]" 1
2132 1 101 PHE HA 1 106 LEU HB2 . . 3.680 2.477 2.257 2.672 . 0 0 "[ . 1 . 2]" 1
2133 1 101 PHE HA 1 106 LEU HB3 . . 5.030 4.083 3.953 4.286 . 0 0 "[ . 1 . 2]" 1
2134 1 101 PHE HA 1 106 LEU MD1 . . 3.280 2.832 2.659 2.984 . 0 0 "[ . 1 . 2]" 1
2135 1 101 PHE HA 1 106 LEU HG . . 3.500 2.810 2.483 3.196 . 0 0 "[ . 1 . 2]" 1
2136 1 101 PHE HB2 1 102 SER H . . 3.940 4.005 3.972 4.021 0.081 3 0 "[ . 1 . 2]" 1
2137 1 101 PHE HB2 1 106 LEU H . . 5.500 5.562 5.483 5.582 0.082 12 0 "[ . 1 . 2]" 1
2138 1 101 PHE HB2 1 106 LEU HB2 . . 3.820 3.352 3.126 3.480 . 0 0 "[ . 1 . 2]" 1
2139 1 101 PHE HB2 1 106 LEU HB3 . . 4.210 4.291 4.274 4.305 0.095 11 0 "[ . 1 . 2]" 1
2140 1 101 PHE HB2 1 106 LEU MD1 . . 3.220 2.006 1.955 2.064 . 0 0 "[ . 1 . 2]" 1
2141 1 101 PHE HB2 1 106 LEU MD2 . . 4.950 4.572 4.304 4.873 . 0 0 "[ . 1 . 2]" 1
2142 1 101 PHE HB3 1 102 SER H . . 3.230 2.720 2.642 2.808 . 0 0 "[ . 1 . 2]" 1
2143 1 101 PHE HB3 1 103 GLU H . . 5.500 5.183 4.889 5.430 . 0 0 "[ . 1 . 2]" 1
2144 1 101 PHE HB3 1 106 LEU MD1 . . 4.370 3.059 2.784 3.173 . 0 0 "[ . 1 . 2]" 1
2145 1 101 PHE QD 1 102 SER H . . 4.100 2.872 2.330 3.252 . 0 0 "[ . 1 . 2]" 1
2146 1 101 PHE QD 1 102 SER QB . . 2.880 2.820 2.334 2.941 0.061 17 0 "[ . 1 . 2]" 1
2147 1 101 PHE QD 1 103 GLU H . . 5.500 5.188 4.784 5.399 . 0 0 "[ . 1 . 2]" 1
2148 1 101 PHE QD 1 104 GLY H . . 5.440 5.233 4.926 5.442 0.002 1 0 "[ . 1 . 2]" 1
2149 1 101 PHE QD 1 106 LEU HB2 . . 5.500 3.754 3.194 4.538 . 0 0 "[ . 1 . 2]" 1
2150 1 101 PHE QD 1 106 LEU MD1 . . 3.850 3.484 2.943 3.917 0.067 5 0 "[ . 1 . 2]" 1
2151 1 101 PHE QE 1 102 SER QB . . 4.070 3.863 3.061 4.013 . 0 0 "[ . 1 . 2]" 1
2152 1 102 SER H 1 102 SER QB . . 3.380 2.417 2.178 2.588 . 0 0 "[ . 1 . 2]" 1
2153 1 102 SER H 1 103 GLU H . . 3.460 2.678 2.537 2.811 . 0 0 "[ . 1 . 2]" 1
2154 1 102 SER H 1 103 GLU HG3 . . 5.500 5.084 4.282 5.572 0.072 14 0 "[ . 1 . 2]" 1
2155 1 102 SER H 1 104 GLY H . . 5.500 4.098 3.867 4.284 . 0 0 "[ . 1 . 2]" 1
2156 1 102 SER H 1 105 ARG H . . 5.500 5.006 4.749 5.203 . 0 0 "[ . 1 . 2]" 1
2157 1 102 SER HA 1 102 SER QB . . 2.400 2.179 2.152 2.365 . 0 0 "[ . 1 . 2]" 1
2158 1 102 SER HA 1 104 GLY H . . 5.160 3.577 3.420 3.715 . 0 0 "[ . 1 . 2]" 1
2159 1 102 SER QB 1 103 GLU HG2 . . 4.760 3.776 3.530 4.716 . 0 0 "[ . 1 . 2]" 1
2160 1 102 SER QB 1 103 GLU HG3 . . 5.260 4.629 3.973 5.030 . 0 0 "[ . 1 . 2]" 1
2161 1 103 GLU H 1 103 GLU HB2 . . 3.130 2.465 2.206 2.694 . 0 0 "[ . 1 . 2]" 1
2162 1 103 GLU H 1 103 GLU HB3 . . 3.890 3.608 3.461 3.793 . 0 0 "[ . 1 . 2]" 1
2163 1 103 GLU H 1 103 GLU HG2 . . 4.050 2.789 2.279 3.500 . 0 0 "[ . 1 . 2]" 1
2164 1 103 GLU H 1 103 GLU HG3 . . 3.640 3.019 2.267 3.688 0.048 19 0 "[ . 1 . 2]" 1
2165 1 103 GLU H 1 104 GLY HA2 . . 5.310 4.818 4.387 5.070 . 0 0 "[ . 1 . 2]" 1
2166 1 103 GLU HA 1 103 GLU HG2 . . 3.420 2.766 2.484 3.127 . 0 0 "[ . 1 . 2]" 1
2167 1 103 GLU HA 1 103 GLU HG3 . . 3.970 3.766 3.334 3.952 . 0 0 "[ . 1 . 2]" 1
2168 1 103 GLU HA 1 104 GLY HA3 . . 4.180 4.253 4.236 4.270 0.090 11 0 "[ . 1 . 2]" 1
2169 1 103 GLU HA 1 105 ARG H . . 5.080 4.678 4.373 5.032 . 0 0 "[ . 1 . 2]" 1
2170 1 103 GLU HB2 1 104 GLY H . . 4.810 4.087 3.972 4.169 . 0 0 "[ . 1 . 2]" 1
2171 1 103 GLU HB2 1 105 ARG H . . 4.470 3.783 3.158 4.309 . 0 0 "[ . 1 . 2]" 1
2172 1 103 GLU HB2 1 105 ARG HD2 . . 5.340 3.712 2.570 5.247 . 0 0 "[ . 1 . 2]" 1
2173 1 103 GLU HB3 1 105 ARG H . . 5.500 4.712 4.018 5.360 . 0 0 "[ . 1 . 2]" 1
2174 1 103 GLU HB3 1 105 ARG HG3 . . 4.260 3.802 2.944 4.332 0.072 18 0 "[ . 1 . 2]" 1
2175 1 104 GLY H 1 105 ARG H . . 3.270 3.073 2.954 3.186 . 0 0 "[ . 1 . 2]" 1
2176 1 104 GLY HA2 1 105 ARG HA . . 5.070 4.666 4.415 4.808 . 0 0 "[ . 1 . 2]" 1
2177 1 104 GLY HA2 1 106 LEU H . . 4.570 3.385 2.949 3.661 . 0 0 "[ . 1 . 2]" 1
2178 1 104 GLY HA2 1 106 LEU HG . . 5.500 5.575 5.526 5.586 0.086 15 0 "[ . 1 . 2]" 1
2179 1 104 GLY HA3 1 106 LEU H . . 5.040 4.394 4.252 4.652 . 0 0 "[ . 1 . 2]" 1
2180 1 105 ARG H 1 105 ARG HB2 . . 3.550 2.423 2.086 2.669 . 0 0 "[ . 1 . 2]" 1
2181 1 105 ARG H 1 105 ARG HB3 . . 4.170 3.587 3.079 3.754 . 0 0 "[ . 1 . 2]" 1
2182 1 105 ARG H 1 105 ARG HG2 . . 4.290 3.770 2.891 4.361 0.071 18 0 "[ . 1 . 2]" 1
2183 1 105 ARG H 1 105 ARG HG3 . . 4.200 2.824 2.175 3.813 . 0 0 "[ . 1 . 2]" 1
2184 1 105 ARG H 1 106 LEU H . . 3.410 3.076 2.673 3.314 . 0 0 "[ . 1 . 2]" 1
2185 1 105 ARG H 1 106 LEU HA . . 5.270 5.168 4.807 5.340 0.070 17 0 "[ . 1 . 2]" 1
2186 1 105 ARG H 1 106 LEU MD1 . . 5.500 5.223 4.886 5.542 0.042 15 0 "[ . 1 . 2]" 1
2187 1 105 ARG H 1 106 LEU MD2 . . 5.500 4.952 4.733 5.186 . 0 0 "[ . 1 . 2]" 1
2188 1 105 ARG H 1 106 LEU HG . . 5.200 4.034 3.697 4.309 . 0 0 "[ . 1 . 2]" 1
2189 1 105 ARG HA 1 105 ARG HB3 . . 2.900 2.515 2.375 2.915 0.015 18 0 "[ . 1 . 2]" 1
2190 1 105 ARG HA 1 105 ARG HD2 . . 5.500 4.807 4.304 5.128 . 0 0 "[ . 1 . 2]" 1
2191 1 105 ARG HA 1 105 ARG HG2 . . 3.320 2.611 2.323 2.839 . 0 0 "[ . 1 . 2]" 1
2192 1 105 ARG HA 1 106 LEU HA . . 5.050 4.342 4.188 4.503 . 0 0 "[ . 1 . 2]" 1
2193 1 105 ARG HB2 1 106 LEU H . . 5.230 4.225 4.118 4.414 . 0 0 "[ . 1 . 2]" 1
2194 1 105 ARG HB2 1 106 LEU MD1 . . 5.500 5.287 4.880 5.602 0.102 18 0 "[ . 1 . 2]" 1
2195 1 105 ARG HB3 1 105 ARG HD2 . . 4.200 3.429 2.198 3.809 . 0 0 "[ . 1 . 2]" 1
2196 1 105 ARG HB3 1 106 LEU H . . 5.010 4.471 4.292 4.525 . 0 0 "[ . 1 . 2]" 1
2197 1 105 ARG HB3 1 106 LEU HA . . 4.570 4.652 4.618 4.666 0.096 5 0 "[ . 1 . 2]" 1
2198 1 105 ARG HG3 1 106 LEU H . . 5.500 5.224 4.959 5.468 . 0 0 "[ . 1 . 2]" 1
2199 1 106 LEU H 1 106 LEU HB2 . . 3.410 2.733 2.553 2.914 . 0 0 "[ . 1 . 2]" 1
2200 1 106 LEU H 1 106 LEU HB3 . . 3.780 3.798 3.681 3.855 0.075 20 0 "[ . 1 . 2]" 1
2201 1 106 LEU H 1 106 LEU MD1 . . 4.560 4.490 4.373 4.568 0.008 20 0 "[ . 1 . 2]" 1
2202 1 106 LEU H 1 106 LEU MD2 . . 4.710 4.076 3.980 4.208 . 0 0 "[ . 1 . 2]" 1
2203 1 106 LEU H 1 106 LEU HG . . 3.500 3.529 3.418 3.571 0.071 20 0 "[ . 1 . 2]" 1
2204 1 106 LEU H 1 107 GLU H . . 5.290 4.369 4.232 4.464 . 0 0 "[ . 1 . 2]" 1
2205 1 106 LEU HA 1 106 LEU MD1 . . 4.370 3.826 3.775 3.892 . 0 0 "[ . 1 . 2]" 1
2206 1 106 LEU HA 1 106 LEU MD2 . . 2.830 2.224 2.112 2.394 . 0 0 "[ . 1 . 2]" 1
2207 1 106 LEU HA 1 106 LEU HG . . 4.040 3.182 3.040 3.292 . 0 0 "[ . 1 . 2]" 1
2208 1 106 LEU HA 1 107 GLU H . . 2.760 2.590 2.397 2.826 0.066 17 0 "[ . 1 . 2]" 1
2209 1 106 LEU HA 1 107 GLU QG . . 4.320 3.118 2.846 3.449 . 0 0 "[ . 1 . 2]" 1
2210 1 106 LEU HB2 1 106 LEU MD1 . . 3.650 2.343 2.293 2.403 . 0 0 "[ . 1 . 2]" 1
2211 1 106 LEU HB2 1 107 GLU H . . 4.040 3.435 3.126 3.661 . 0 0 "[ . 1 . 2]" 1
2212 1 106 LEU HB3 1 106 LEU MD2 . . 3.630 2.506 2.360 2.629 . 0 0 "[ . 1 . 2]" 1
2213 1 106 LEU HB3 1 107 GLU H . . 3.780 2.121 1.850 2.339 . 0 0 "[ . 1 . 2]" 1
2214 1 106 LEU HB3 1 107 GLU QG . . 4.140 4.235 4.211 4.250 0.110 20 0 "[ . 1 . 2]" 1
2215 1 106 LEU MD1 1 107 GLU H . . 5.500 3.985 3.769 4.130 . 0 0 "[ . 1 . 2]" 1
2216 1 106 LEU MD2 1 107 GLU H . . 4.310 3.266 3.060 3.496 . 0 0 "[ . 1 . 2]" 1
2217 1 106 LEU HG 1 107 GLU H . . 5.500 4.756 4.628 4.878 . 0 0 "[ . 1 . 2]" 1
2218 1 107 GLU H 1 107 GLU HB2 . . 3.570 2.652 2.317 2.890 . 0 0 "[ . 1 . 2]" 1
2219 1 107 GLU H 1 107 GLU HB3 . . 3.870 3.718 3.530 3.883 0.013 17 0 "[ . 1 . 2]" 1
2220 1 107 GLU H 1 107 GLU QG . . 3.910 2.515 2.214 2.999 . 0 0 "[ . 1 . 2]" 1
2221 1 107 GLU H 1 108 GLU H . . 4.510 4.502 4.353 4.576 0.066 16 0 "[ . 1 . 2]" 1
2222 1 107 GLU HA 1 107 GLU QG . . 3.640 2.875 2.592 3.336 . 0 0 "[ . 1 . 2]" 1
2223 1 107 GLU HA 1 108 GLU H . . 2.700 2.366 2.188 2.491 . 0 0 "[ . 1 . 2]" 1
2224 1 107 GLU HA 1 108 GLU HA . . 4.780 4.489 4.374 4.566 . 0 0 "[ . 1 . 2]" 1
2225 1 107 GLU HB2 1 108 GLU H . . 3.950 3.820 3.455 4.037 0.087 10 0 "[ . 1 . 2]" 1
2226 1 107 GLU HB2 1 109 LEU HB2 . . 4.270 3.939 3.248 4.340 0.070 20 0 "[ . 1 . 2]" 1
2227 1 107 GLU HB2 1 109 LEU MD1 . . 4.590 4.022 3.468 4.670 0.080 10 0 "[ . 1 . 2]" 1
2228 1 107 GLU QG 1 108 GLU H . . 4.730 4.573 4.348 4.802 0.072 9 0 "[ . 1 . 2]" 1
2229 1 108 GLU H 1 108 GLU HB3 . . 3.100 2.619 2.091 3.086 . 0 0 "[ . 1 . 2]" 1
2230 1 108 GLU H 1 108 GLU QG . . 4.710 3.885 3.686 4.063 . 0 0 "[ . 1 . 2]" 1
2231 1 108 GLU H 1 109 LEU H . . 5.320 4.272 3.843 4.503 . 0 0 "[ . 1 . 2]" 1
2232 1 108 GLU H 1 109 LEU HA . . 5.260 4.995 4.513 5.261 0.001 7 0 "[ . 1 . 2]" 1
2233 1 108 GLU H 1 110 THR MG . . 5.150 5.174 4.798 5.271 0.121 11 0 "[ . 1 . 2]" 1
2234 1 108 GLU HA 1 108 GLU QG . . 3.830 2.303 2.149 2.509 . 0 0 "[ . 1 . 2]" 1
2235 1 108 GLU HA 1 109 LEU H . . 2.790 2.162 2.091 2.248 . 0 0 "[ . 1 . 2]" 1
2236 1 108 GLU HA 1 109 LEU HA . . 4.370 4.447 4.430 4.460 0.090 5 0 "[ . 1 . 2]" 1
2237 1 108 GLU HA 1 109 LEU HB2 . . 4.780 4.433 4.250 4.576 . 0 0 "[ . 1 . 2]" 1
2238 1 108 GLU HA 1 109 LEU HB3 . . 4.980 4.710 4.582 4.861 . 0 0 "[ . 1 . 2]" 1
2239 1 108 GLU HB2 1 109 LEU H . . 4.590 4.533 4.300 4.646 0.056 19 0 "[ . 1 . 2]" 1
2240 1 108 GLU HB2 1 110 THR MG . . 4.220 4.210 3.936 4.316 0.096 18 0 "[ . 1 . 2]" 1
2241 1 108 GLU HB3 1 109 LEU HA . . 5.030 4.998 4.658 5.110 0.080 16 0 "[ . 1 . 2]" 1
2242 1 108 GLU HB3 1 110 THR MG . . 4.020 3.429 2.689 4.090 0.070 14 0 "[ . 1 . 2]" 1
2243 1 108 GLU QG 1 109 LEU H . . 4.470 3.291 2.816 3.739 . 0 0 "[ . 1 . 2]" 1
2244 1 108 GLU QG 1 110 THR MG . . 4.140 2.029 1.850 2.487 . 0 0 "[ . 1 . 2]" 1
2245 1 109 LEU H 1 109 LEU HB2 . . 3.510 2.668 2.387 3.085 . 0 0 "[ . 1 . 2]" 1
2246 1 109 LEU H 1 109 LEU HB3 . . 3.390 2.612 2.425 2.772 . 0 0 "[ . 1 . 2]" 1
2247 1 109 LEU H 1 109 LEU MD2 . . 5.060 4.379 4.204 4.547 . 0 0 "[ . 1 . 2]" 1
2248 1 109 LEU H 1 109 LEU HG . . 4.640 4.468 4.369 4.531 . 0 0 "[ . 1 . 2]" 1
2249 1 109 LEU H 1 110 THR H . . 5.500 3.507 3.156 3.982 . 0 0 "[ . 1 . 2]" 1
2250 1 109 LEU HA 1 109 LEU MD1 . . 3.770 2.265 2.034 3.039 . 0 0 "[ . 1 . 2]" 1
2251 1 109 LEU HA 1 109 LEU MD2 . . 3.730 3.800 3.740 3.837 0.107 4 0 "[ . 1 . 2]" 1
2252 1 109 LEU HA 1 109 LEU HG . . 2.620 2.670 2.412 2.710 0.090 15 0 "[ . 1 . 2]" 1
2253 1 109 LEU HA 1 110 THR H . . 2.940 2.628 2.427 2.915 . 0 0 "[ . 1 . 2]" 1
2254 1 109 LEU HA 1 111 THR H . . 3.720 3.545 3.248 3.741 0.021 2 0 "[ . 1 . 2]" 1
2255 1 109 LEU HA 1 111 THR MG . . 5.390 4.267 3.294 5.478 0.088 19 0 "[ . 1 . 2]" 1
2256 1 109 LEU HB2 1 109 LEU MD2 . . 3.040 2.614 2.457 3.029 . 0 0 "[ . 1 . 2]" 1
2257 1 109 LEU HB2 1 110 THR H . . 5.500 4.720 4.620 4.820 . 0 0 "[ . 1 . 2]" 1
2258 1 109 LEU HB2 1 111 THR H . . 5.500 5.329 5.029 5.523 0.023 6 0 "[ . 1 . 2]" 1
2259 1 109 LEU HB3 1 109 LEU MD2 . . 3.660 2.244 2.185 2.295 . 0 0 "[ . 1 . 2]" 1
2260 1 109 LEU HB3 1 109 LEU HG . . 3.010 2.630 2.539 2.832 . 0 0 "[ . 1 . 2]" 1
2261 1 109 LEU HB3 1 110 THR H . . 4.920 4.447 4.205 4.566 . 0 0 "[ . 1 . 2]" 1
2262 1 109 LEU HB3 1 111 THR H . . 4.670 4.614 4.380 4.755 0.085 4 0 "[ . 1 . 2]" 1
2263 1 109 LEU MD1 1 112 PHE HB2 . . 5.500 4.092 2.408 6.108 0.608 19 1 "[ . 1 . +2]" 1
2264 1 109 LEU MD1 1 112 PHE QD . . 4.330 3.640 2.534 4.428 0.098 19 0 "[ . 1 . 2]" 1
2265 1 109 LEU MD1 1 113 THR H . . 5.500 5.245 4.498 5.613 0.113 15 0 "[ . 1 . 2]" 1
2266 1 109 LEU MD2 1 110 THR H . . 5.500 5.335 4.922 5.539 0.039 3 0 "[ . 1 . 2]" 1
2267 1 109 LEU MD2 1 111 THR H . . 4.580 4.383 3.750 4.675 0.095 3 0 "[ . 1 . 2]" 1
2268 1 109 LEU MD2 1 112 PHE H . . 5.500 5.128 4.158 5.614 0.114 19 0 "[ . 1 . 2]" 1
2269 1 109 LEU MD2 1 112 PHE HA . . 4.800 4.606 3.910 4.912 0.112 11 0 "[ . 1 . 2]" 1
2270 1 109 LEU MD2 1 113 THR H . . 5.500 5.493 5.174 5.608 0.108 1 0 "[ . 1 . 2]" 1
2271 1 109 LEU HG 1 110 THR H . . 4.870 4.365 3.984 4.598 . 0 0 "[ . 1 . 2]" 1
2272 1 109 LEU HG 1 111 THR H . . 3.690 3.113 2.424 3.619 . 0 0 "[ . 1 . 2]" 1
2273 1 110 THR H 1 110 THR MG . . 4.010 2.377 1.771 2.783 . 0 0 "[ . 1 . 2]" 1
2274 1 110 THR H 1 111 THR H . . 3.290 3.073 2.639 3.271 . 0 0 "[ . 1 . 2]" 1
2275 1 110 THR H 1 111 THR HA . . 5.500 5.351 4.884 5.559 0.059 15 0 "[ . 1 . 2]" 1
2276 1 110 THR H 1 111 THR MG . . 4.300 3.310 2.526 4.367 0.067 10 0 "[ . 1 . 2]" 1
2277 1 110 THR HA 1 110 THR MG . . 2.820 2.415 2.157 2.974 0.154 18 0 "[ . 1 . 2]" 1
2278 1 110 THR MG 1 111 THR H . . 4.670 4.207 3.680 4.448 . 0 0 "[ . 1 . 2]" 1
2279 1 111 THR H 1 111 THR MG . . 3.710 3.020 2.619 3.584 . 0 0 "[ . 1 . 2]" 1
2280 1 111 THR H 1 112 PHE H . . 4.660 3.330 2.264 4.231 . 0 0 "[ . 1 . 2]" 1
2281 1 111 THR H 1 112 PHE QE . . 4.400 4.192 3.538 4.496 0.096 10 0 "[ . 1 . 2]" 1
2282 1 111 THR HA 1 111 THR MG . . 3.230 3.128 2.270 3.299 0.069 12 0 "[ . 1 . 2]" 1
2283 1 111 THR HA 1 112 PHE H . . 3.170 2.469 2.153 2.925 . 0 0 "[ . 1 . 2]" 1
2284 1 111 THR HA 1 112 PHE QD . . 4.180 3.946 3.430 4.260 0.080 17 0 "[ . 1 . 2]" 1
2285 1 111 THR MG 1 112 PHE H . . 4.530 4.072 2.492 4.553 0.023 17 0 "[ . 1 . 2]" 1
2286 1 112 PHE H 1 112 PHE HB3 . . 3.920 3.502 2.848 3.851 . 0 0 "[ . 1 . 2]" 1
2287 1 112 PHE H 1 112 PHE QD . . 3.490 2.919 1.735 3.584 0.094 10 0 "[ . 1 . 2]" 1
2288 1 112 PHE H 1 113 THR H . . 5.500 4.312 4.149 4.580 . 0 0 "[ . 1 . 2]" 1
2289 1 112 PHE HA 1 113 THR H . . 3.390 2.375 2.017 2.784 . 0 0 "[ . 1 . 2]" 1
2290 1 112 PHE HA 1 113 THR MG . . 5.390 4.501 3.234 5.483 0.093 8 0 "[ . 1 . 2]" 1
2291 1 112 PHE HB2 1 113 THR H . . 3.630 3.074 1.973 4.416 0.786 20 2 "[ . 1 . - +]" 1
2292 1 112 PHE HB3 1 113 THR H . . 4.380 3.403 2.338 4.188 . 0 0 "[ . 1 . 2]" 1
2293 1 112 PHE QD 1 113 THR H . . 4.780 3.627 2.157 4.515 . 0 0 "[ . 1 . 2]" 1
2294 1 112 PHE QD 1 114 ARG H . . 5.500 5.026 3.522 5.601 0.101 10 0 "[ . 1 . 2]" 1
2295 1 113 THR H 1 113 THR MG . . 4.220 3.557 2.581 4.027 . 0 0 "[ . 1 . 2]" 1
2296 1 113 THR H 1 114 ARG H . . 4.820 4.009 2.262 4.687 . 0 0 "[ . 1 . 2]" 1
2297 1 113 THR H 1 114 ARG QB . . 5.500 4.442 3.397 5.310 . 0 0 "[ . 1 . 2]" 1
2298 1 113 THR HA 1 113 THR MG . . 2.860 2.285 2.179 2.439 . 0 0 "[ . 1 . 2]" 1
2299 1 113 THR HB 1 114 ARG H . . 4.190 3.347 1.829 4.270 0.080 5 0 "[ . 1 . 2]" 1
2300 1 113 THR HB 1 114 ARG QB . . 5.330 4.902 4.626 5.110 . 0 0 "[ . 1 . 2]" 1
2301 1 113 THR HB 1 115 GLU H . . 5.500 5.373 4.935 5.583 0.083 18 0 "[ . 1 . 2]" 1
2302 1 113 THR MG 1 114 ARG H . . 5.500 3.411 1.827 4.371 . 0 0 "[ . 1 . 2]" 1
2303 1 114 ARG H 1 114 ARG QD . . 4.550 4.438 3.475 4.634 0.084 11 0 "[ . 1 . 2]" 1
2304 1 114 ARG H 1 114 ARG QG . . 4.920 4.186 2.353 4.495 . 0 0 "[ . 1 . 2]" 1
2305 1 114 ARG HA 1 115 GLU QB . . 4.330 4.039 3.776 4.258 . 0 0 "[ . 1 . 2]" 1
2306 1 114 ARG HA 1 116 GLY H . . 5.020 4.759 3.897 5.110 0.090 14 0 "[ . 1 . 2]" 1
2307 1 114 ARG QB 1 115 GLU H . . 4.790 3.780 2.807 4.073 . 0 0 "[ . 1 . 2]" 1
2308 1 114 ARG QD 1 115 GLU H . . 5.500 2.850 2.228 3.402 . 0 0 "[ . 1 . 2]" 1
2309 1 114 ARG QD 1 115 GLU HA . . 4.910 4.428 2.434 4.997 0.087 3 0 "[ . 1 . 2]" 1
2310 1 114 ARG QD 1 115 GLU QB . . 5.140 4.399 3.405 4.884 . 0 0 "[ . 1 . 2]" 1
2311 1 114 ARG QD 1 116 GLY QA . . 5.500 3.968 2.419 5.213 . 0 0 "[ . 1 . 2]" 1
2312 1 114 ARG QG 1 115 GLU H . . 5.500 3.373 2.005 4.418 . 0 0 "[ . 1 . 2]" 1
2313 1 114 ARG QG 1 115 GLU HA . . 4.920 4.253 3.362 5.009 0.089 16 0 "[ . 1 . 2]" 1
2314 1 114 ARG QG 1 116 GLY H . . 5.500 3.148 1.876 4.684 . 0 0 "[ . 1 . 2]" 1
2315 1 114 ARG QG 1 116 GLY QA . . 5.210 3.842 2.903 4.767 . 0 0 "[ . 1 . 2]" 1
2316 1 115 GLU H 1 115 GLU QG . . 4.370 3.813 2.345 4.350 . 0 0 "[ . 1 . 2]" 1
2317 1 115 GLU H 1 116 GLY H . . 5.500 3.606 2.533 4.232 . 0 0 "[ . 1 . 2]" 1
2318 1 115 GLU HA 1 115 GLU QG . . 3.810 2.596 2.130 3.478 . 0 0 "[ . 1 . 2]" 1
2319 1 115 GLU HA 1 116 GLY H . . 3.170 2.398 2.053 3.057 . 0 0 "[ . 1 . 2]" 1
2320 1 115 GLU QB 1 116 GLY H . . 4.830 4.024 3.752 4.126 . 0 0 "[ . 1 . 2]" 1
2321 1 115 GLU QG 1 116 GLY H . . 4.390 3.885 3.310 4.476 0.086 18 0 "[ . 1 . 2]" 1
2322 1 115 GLU QG 1 116 GLY QA . . 4.620 4.012 3.294 4.478 . 0 0 "[ . 1 . 2]" 1
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