NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402918 |
1wgu   |
10235 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wgu
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 2406
_Distance_constraint_stats_list.Viol_count 2539
_Distance_constraint_stats_list.Viol_total 2861.775
_Distance_constraint_stats_list.Viol_max 0.954
_Distance_constraint_stats_list.Viol_rms 0.0293
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0564
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 THR 4.287 0.454 14 0 "[ . 1 . 2]"
1 10 PRO 4.315 0.454 14 0 "[ . 1 . 2]"
1 11 LYS 0.199 0.087 13 0 "[ . 1 . 2]"
1 12 THR 0.283 0.087 13 0 "[ . 1 . 2]"
1 13 GLU 2.527 0.306 8 0 "[ . 1 . 2]"
1 14 LEU 4.287 0.326 10 0 "[ . 1 . 2]"
1 15 VAL 3.938 0.419 20 0 "[ . 1 . 2]"
1 16 GLN 4.925 0.424 2 0 "[ . 1 . 2]"
1 17 LYS 20.092 0.954 11 8 "[- . *1+* .*** *]"
1 18 PHE 1.420 0.313 18 0 "[ . 1 . 2]"
1 19 ARG 6.818 0.818 11 5 "[ . * -+* *. 2]"
1 20 VAL 4.019 0.818 11 5 "[ . * -+* *. 2]"
1 21 GLN 3.308 0.819 3 2 "[ + . 1 . - 2]"
1 22 TYR 1.782 0.078 2 0 "[ . 1 . 2]"
1 23 LEU 0.469 0.022 10 0 "[ . 1 . 2]"
1 24 GLY 0.502 0.025 3 0 "[ . 1 . 2]"
1 25 MET 0.409 0.036 5 0 "[ . 1 . 2]"
1 26 LEU 3.454 0.162 19 0 "[ . 1 . 2]"
1 27 PRO 3.044 0.162 19 0 "[ . 1 . 2]"
1 28 VAL 0.286 0.024 2 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.585 0.304 9 0 "[ . 1 . 2]"
1 31 PRO 0.039 0.014 11 0 "[ . 1 . 2]"
1 32 VAL 0.328 0.039 2 0 "[ . 1 . 2]"
1 33 GLY 0.003 0.003 19 0 "[ . 1 . 2]"
1 34 MET 0.404 0.290 8 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.028 0.019 19 0 "[ . 1 . 2]"
1 37 LEU 0.331 0.022 2 0 "[ . 1 . 2]"
1 38 ASN 0.003 0.002 6 0 "[ . 1 . 2]"
1 39 SER 0.062 0.062 13 0 "[ . 1 . 2]"
1 40 ALA 0.203 0.073 20 0 "[ . 1 . 2]"
1 41 ILE 0.279 0.073 20 0 "[ . 1 . 2]"
1 42 GLU 0.042 0.042 20 0 "[ . 1 . 2]"
1 43 ASN 0.030 0.017 1 0 "[ . 1 . 2]"
1 44 LEU 0.561 0.035 14 0 "[ . 1 . 2]"
1 45 MET 0.453 0.109 20 0 "[ . 1 . 2]"
1 46 THR 1.299 0.122 20 0 "[ . 1 . 2]"
1 47 SER 1.191 0.610 14 2 "[ -. 1 +. 2]"
1 48 SER 1.301 0.610 14 2 "[ -. 1 +. 2]"
1 49 SER 0.096 0.084 6 0 "[ . 1 . 2]"
1 50 LYS 0.093 0.014 11 0 "[ . 1 . 2]"
1 51 GLU 0.005 0.003 7 0 "[ . 1 . 2]"
1 52 ASP 0.001 0.001 14 0 "[ . 1 . 2]"
1 53 TRP 7.400 0.314 2 0 "[ . 1 . 2]"
1 54 PRO 9.020 0.314 2 0 "[ . 1 . 2]"
1 55 SER 4.565 0.819 3 2 "[ + . 1 . - 2]"
1 56 VAL 5.205 0.663 3 2 "[ + . 1 . - 2]"
1 57 ASN 0.956 0.456 10 0 "[ . 1 . 2]"
1 58 MET 0.218 0.049 18 0 "[ . 1 . 2]"
1 59 ASN 5.658 0.954 11 4 "[- . *1+ . * 2]"
1 60 VAL 3.244 0.424 2 0 "[ . 1 . 2]"
1 61 ALA 0.749 0.154 13 0 "[ . 1 . 2]"
1 62 ASP 0.834 0.203 17 0 "[ . 1 . 2]"
1 63 ALA 0.056 0.015 10 0 "[ . 1 . 2]"
1 64 THR 3.542 0.564 4 1 "[ +. 1 . 2]"
1 65 VAL 2.023 0.107 17 0 "[ . 1 . 2]"
1 66 THR 5.037 0.786 18 6 "[* *.* * - + 2]"
1 67 VAL 0.532 0.047 10 0 "[ . 1 . 2]"
1 68 ILE 0.962 0.039 10 0 "[ . 1 . 2]"
1 69 SER 1.006 0.732 12 1 "[ . 1 + . 2]"
1 70 GLU 1.272 0.125 17 0 "[ . 1 . 2]"
1 71 LYS 0.904 0.362 2 0 "[ . 1 . 2]"
1 72 ASN 1.307 0.406 4 0 "[ . 1 . 2]"
1 73 GLU 0.913 0.131 6 0 "[ . 1 . 2]"
1 74 GLU 7.089 0.802 17 4 "[ . 1 -. + **]"
1 75 GLU 3.664 0.732 12 1 "[ . 1 + . 2]"
1 76 VAL 1.770 0.212 19 0 "[ . 1 . 2]"
1 77 LEU 0.619 0.035 17 0 "[ . 1 . 2]"
1 78 VAL 0.872 0.041 12 0 "[ . 1 . 2]"
1 79 GLU 7.109 0.786 18 6 "[* *.* * - + 2]"
1 80 CYS 0.664 0.058 17 0 "[ . 1 . 2]"
1 81 ARG 0.061 0.020 11 0 "[ . 1 . 2]"
1 82 VAL 2.211 0.142 13 0 "[ . 1 . 2]"
1 83 ARG 0.859 0.099 14 0 "[ . 1 . 2]"
1 84 PHE 0.060 0.037 16 0 "[ . 1 . 2]"
1 85 LEU 2.362 0.112 14 0 "[ . 1 . 2]"
1 86 SER 0.119 0.050 11 0 "[ . 1 . 2]"
1 87 PHE 1.537 0.290 8 0 "[ . 1 . 2]"
1 88 MET 2.757 0.105 13 0 "[ . 1 . 2]"
1 89 GLY 0.511 0.072 14 0 "[ . 1 . 2]"
1 90 VAL 0.204 0.036 14 0 "[ . 1 . 2]"
1 91 GLY 0.087 0.022 10 0 "[ . 1 . 2]"
1 92 LYS 7.424 0.538 20 1 "[ . 1 . +]"
1 93 ASP 0.406 0.202 14 0 "[ . 1 . 2]"
1 94 VAL 0.202 0.058 5 0 "[ . 1 . 2]"
1 95 HIS 0.323 0.033 6 0 "[ . 1 . 2]"
1 96 THR 1.105 0.080 15 0 "[ . 1 . 2]"
1 97 PHE 0.847 0.064 14 0 "[ . 1 . 2]"
1 98 ALA 0.811 0.080 8 0 "[ . 1 . 2]"
1 99 PHE 2.167 0.105 13 0 "[ . 1 . 2]"
1 100 ILE 0.203 0.021 8 0 "[ . 1 . 2]"
1 101 MET 2.634 0.141 6 0 "[ . 1 . 2]"
1 102 ASP 0.391 0.070 6 0 "[ . 1 . 2]"
1 103 THR 0.947 0.141 6 0 "[ . 1 . 2]"
1 104 GLY 0.941 0.155 17 0 "[ . 1 . 2]"
1 105 ASN 2.011 0.169 15 0 "[ . 1 . 2]"
1 106 GLN 2.321 0.169 15 0 "[ . 1 . 2]"
1 107 ARG 2.804 0.289 12 0 "[ . 1 . 2]"
1 108 PHE 2.422 0.651 11 1 "[ . 1+ . 2]"
1 109 GLU 7.509 0.651 11 2 "[ . 1+ - . 2]"
1 110 CYS 5.748 0.504 13 1 "[ . 1 + . 2]"
1 111 HIS 0.550 0.052 9 0 "[ . 1 . 2]"
1 112 VAL 0.803 0.052 9 0 "[ . 1 . 2]"
1 113 PHE 0.539 0.041 12 0 "[ . 1 . 2]"
1 114 TRP 0.298 0.033 3 0 "[ . 1 . 2]"
1 115 CYS 0.577 0.033 6 0 "[ . 1 . 2]"
1 116 GLU 0.063 0.013 8 0 "[ . 1 . 2]"
1 117 PRO 0.428 0.062 2 0 "[ . 1 . 2]"
1 118 ASN 6.787 0.378 1 0 "[ . 1 . 2]"
1 119 ALA 4.853 0.282 12 0 "[ . 1 . 2]"
1 120 ALA 2.346 0.378 1 0 "[ . 1 . 2]"
1 121 ASN 0.759 0.313 18 0 "[ . 1 . 2]"
1 122 VAL 0.565 0.073 8 0 "[ . 1 . 2]"
1 123 SER 1.734 0.647 8 2 "[ . + 1 - . 2]"
1 124 GLU 2.653 0.647 8 2 "[ . + 1 - . 2]"
1 125 ALA 0.696 0.259 8 0 "[ . 1 . 2]"
1 126 VAL 0.187 0.018 12 0 "[ . 1 . 2]"
1 127 GLN 3.041 0.296 1 0 "[ . 1 . 2]"
1 128 ALA 0.960 0.257 9 0 "[ . 1 . 2]"
1 129 ALA 1.628 0.861 1 2 "[+ . 1 - . 2]"
1 130 CYS 2.275 0.861 1 2 "[+ . 1 - . 2]"
1 131 SER 0.262 0.262 1 0 "[ . 1 . 2]"
1 132 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 THR HA 1 9 THR MG . . 3.720 2.600 2.326 3.244 . 0 0 "[ . 1 . 2]" 1
2 1 9 THR HA 1 10 PRO HD2 . . 3.060 2.399 2.159 2.746 . 0 0 "[ . 1 . 2]" 1
3 1 9 THR HA 1 10 PRO HD3 . . 3.330 2.029 1.889 2.298 . 0 0 "[ . 1 . 2]" 1
4 1 9 THR HB 1 10 PRO HD3 . . 4.230 4.145 3.062 4.684 0.454 14 0 "[ . 1 . 2]" 1
5 1 9 THR MG 1 10 PRO HD2 . . 4.580 3.653 1.794 4.175 . 0 0 "[ . 1 . 2]" 1
6 1 9 THR MG 1 10 PRO HD3 . . 4.140 3.941 2.907 4.377 0.237 19 0 "[ . 1 . 2]" 1
7 1 10 PRO HA 1 11 LYS H . . 3.390 2.587 2.179 3.415 0.025 11 0 "[ . 1 . 2]" 1
8 1 11 LYS H 1 12 THR H . . 5.390 3.999 2.746 4.651 . 0 0 "[ . 1 . 2]" 1
9 1 11 LYS HA 1 12 THR H . . 3.530 2.487 2.176 3.617 0.087 13 0 "[ . 1 . 2]" 1
10 1 12 THR HA 1 12 THR MG . . 3.370 2.796 2.297 3.244 . 0 0 "[ . 1 . 2]" 1
11 1 12 THR HA 1 13 GLU H . . 3.360 2.443 2.151 3.437 0.077 11 0 "[ . 1 . 2]" 1
12 1 12 THR HB 1 13 GLU H . . 4.550 3.766 1.943 4.582 0.032 10 0 "[ . 1 . 2]" 1
13 1 12 THR MG 1 13 GLU H . . 4.840 3.765 2.668 4.372 . 0 0 "[ . 1 . 2]" 1
14 1 13 GLU H 1 13 GLU HB3 . . 3.790 3.655 3.127 4.096 0.306 8 0 "[ . 1 . 2]" 1
15 1 13 GLU H 1 13 GLU HG3 . . 4.710 3.914 2.428 4.586 . 0 0 "[ . 1 . 2]" 1
16 1 13 GLU HA 1 13 GLU HG2 . . 3.500 2.672 1.957 3.506 0.006 15 0 "[ . 1 . 2]" 1
17 1 13 GLU HA 1 14 LEU H . . 3.040 2.411 2.208 2.737 . 0 0 "[ . 1 . 2]" 1
18 1 13 GLU HB2 1 14 LEU H . . 4.420 4.260 3.781 4.591 0.171 4 0 "[ . 1 . 2]" 1
19 1 13 GLU HB3 1 14 LEU H . . 4.590 3.356 2.404 4.397 . 0 0 "[ . 1 . 2]" 1
20 1 14 LEU H 1 14 LEU HB2 . . 3.320 2.317 1.982 3.336 0.016 5 0 "[ . 1 . 2]" 1
21 1 14 LEU H 1 14 LEU MD2 . . 4.640 3.500 1.913 4.923 0.283 11 0 "[ . 1 . 2]" 1
22 1 14 LEU H 1 14 LEU HG . . 4.290 4.089 3.782 4.308 0.018 5 0 "[ . 1 . 2]" 1
23 1 14 LEU HA 1 14 LEU MD1 . . 3.600 2.716 2.002 3.555 . 0 0 "[ . 1 . 2]" 1
24 1 14 LEU HA 1 14 LEU MD2 . . 3.250 2.917 1.958 3.566 0.316 8 0 "[ . 1 . 2]" 1
25 1 14 LEU HA 1 14 LEU HG . . 4.040 2.830 2.086 3.685 . 0 0 "[ . 1 . 2]" 1
26 1 14 LEU HA 1 15 VAL H . . 2.750 2.320 2.195 2.763 0.013 11 0 "[ . 1 . 2]" 1
27 1 14 LEU HB2 1 14 LEU MD1 . . 3.650 2.602 1.960 3.216 . 0 0 "[ . 1 . 2]" 1
28 1 14 LEU HB2 1 15 VAL H . . 4.430 4.269 3.754 4.469 0.039 10 0 "[ . 1 . 2]" 1
29 1 14 LEU HB3 1 14 LEU MD1 . . 3.090 2.644 2.022 3.095 0.005 8 0 "[ . 1 . 2]" 1
30 1 14 LEU HB3 1 15 VAL H . . 3.970 3.308 2.500 3.980 0.010 10 0 "[ . 1 . 2]" 1
31 1 14 LEU MD1 1 15 VAL H . . 4.170 3.624 2.320 4.496 0.326 10 0 "[ . 1 . 2]" 1
32 1 14 LEU MD2 1 15 VAL H . . 4.520 3.428 1.957 4.518 . 0 0 "[ . 1 . 2]" 1
33 1 15 VAL H 1 15 VAL HB . . 3.290 2.789 2.468 3.533 0.243 20 0 "[ . 1 . 2]" 1
34 1 15 VAL H 1 15 VAL QG . . 3.270 2.689 1.834 2.948 . 0 0 "[ . 1 . 2]" 1
35 1 15 VAL H 1 16 GLN H . . 4.520 4.462 4.367 4.628 0.108 16 0 "[ . 1 . 2]" 1
36 1 15 VAL HA 1 15 VAL QG . . 3.140 2.190 2.065 2.536 . 0 0 "[ . 1 . 2]" 1
37 1 15 VAL HA 1 16 GLN H . . 2.830 2.347 2.260 2.463 . 0 0 "[ . 1 . 2]" 1
38 1 15 VAL HA 1 16 GLN HG3 . . 4.760 4.348 3.694 4.715 . 0 0 "[ . 1 . 2]" 1
39 1 15 VAL HA 1 60 VAL HB . . 4.690 4.646 4.243 4.700 0.010 19 0 "[ . 1 . 2]" 1
40 1 15 VAL HA 1 61 ALA HA . . 3.860 3.503 2.875 3.839 . 0 0 "[ . 1 . 2]" 1
41 1 15 VAL HA 1 61 ALA MB . . 3.510 2.427 1.981 3.582 0.072 10 0 "[ . 1 . 2]" 1
42 1 15 VAL HB 1 16 GLN H . . 4.280 3.781 2.642 4.145 . 0 0 "[ . 1 . 2]" 1
43 1 15 VAL HB 1 17 LYS HE3 . . 4.710 3.846 2.856 5.129 0.419 20 0 "[ . 1 . 2]" 1
44 1 15 VAL HB 1 61 ALA MB . . 3.970 3.440 1.806 3.992 0.022 9 0 "[ . 1 . 2]" 1
45 1 15 VAL QG 1 16 GLN H . . 3.540 2.243 1.865 3.011 . 0 0 "[ . 1 . 2]" 1
46 1 15 VAL QG 1 16 GLN HA . . 4.310 3.508 3.151 3.721 . 0 0 "[ . 1 . 2]" 1
47 1 15 VAL QG 1 17 LYS H . . 4.130 3.682 3.416 3.963 . 0 0 "[ . 1 . 2]" 1
48 1 15 VAL QG 1 17 LYS HE3 . . 3.690 2.431 1.861 3.328 . 0 0 "[ . 1 . 2]" 1
49 1 15 VAL QG 1 17 LYS HG2 . . 4.430 3.882 3.517 4.123 . 0 0 "[ . 1 . 2]" 1
50 1 15 VAL QG 1 17 LYS HG3 . . 4.510 2.693 2.134 3.918 . 0 0 "[ . 1 . 2]" 1
51 1 15 VAL QG 1 59 ASN HA . . 4.060 3.025 2.900 3.094 . 0 0 "[ . 1 . 2]" 1
52 1 15 VAL QG 1 59 ASN HB2 . . 3.840 3.629 3.524 3.826 . 0 0 "[ . 1 . 2]" 1
53 1 15 VAL QG 1 59 ASN HB3 . . 4.200 4.106 4.050 4.178 . 0 0 "[ . 1 . 2]" 1
54 1 15 VAL QG 1 59 ASN HD21 . . 4.540 2.911 2.764 3.471 . 0 0 "[ . 1 . 2]" 1
55 1 15 VAL QG 1 59 ASN HD22 . . 4.470 2.086 1.879 2.608 . 0 0 "[ . 1 . 2]" 1
56 1 15 VAL QG 1 60 VAL H . . 3.990 2.355 1.793 2.809 . 0 0 "[ . 1 . 2]" 1
57 1 15 VAL QG 1 61 ALA HA . . 3.940 3.501 3.106 3.740 . 0 0 "[ . 1 . 2]" 1
58 1 15 VAL QG 1 61 ALA MB . . 3.290 1.722 1.635 2.056 . 0 0 "[ . 1 . 2]" 1
59 1 15 VAL QG 1 62 ASP H . . 4.690 4.271 4.128 4.501 . 0 0 "[ . 1 . 2]" 1
60 1 16 GLN H 1 16 GLN HB2 . . 3.350 2.434 2.261 2.615 . 0 0 "[ . 1 . 2]" 1
61 1 16 GLN H 1 16 GLN HG3 . . 4.010 3.565 3.166 3.924 . 0 0 "[ . 1 . 2]" 1
62 1 16 GLN H 1 17 LYS H . . 4.140 4.193 4.143 4.289 0.149 5 0 "[ . 1 . 2]" 1
63 1 16 GLN H 1 59 ASN HA . . 5.210 4.148 3.897 4.447 . 0 0 "[ . 1 . 2]" 1
64 1 16 GLN H 1 60 VAL H . . 4.050 2.307 2.098 2.635 . 0 0 "[ . 1 . 2]" 1
65 1 16 GLN H 1 60 VAL HB . . 3.840 2.787 2.583 2.969 . 0 0 "[ . 1 . 2]" 1
66 1 16 GLN H 1 61 ALA MB . . 4.340 3.673 3.399 4.390 0.050 10 0 "[ . 1 . 2]" 1
67 1 16 GLN HA 1 16 GLN HG2 . . 3.450 2.551 2.283 2.824 . 0 0 "[ . 1 . 2]" 1
68 1 16 GLN HA 1 16 GLN HG3 . . 3.710 2.489 2.173 2.626 . 0 0 "[ . 1 . 2]" 1
69 1 16 GLN HA 1 17 LYS H . . 2.870 2.207 2.203 2.210 . 0 0 "[ . 1 . 2]" 1
70 1 16 GLN HA 1 17 LYS HB2 . . 4.450 4.348 4.266 4.438 . 0 0 "[ . 1 . 2]" 1
71 1 16 GLN HA 1 18 PHE QE . . 4.620 4.512 4.387 4.601 . 0 0 "[ . 1 . 2]" 1
72 1 16 GLN HB2 1 60 VAL H . . 4.280 3.749 3.619 4.304 0.024 10 0 "[ . 1 . 2]" 1
73 1 16 GLN HB2 1 60 VAL HB . . 2.960 2.128 1.997 2.988 0.028 10 0 "[ . 1 . 2]" 1
74 1 16 GLN HB3 1 16 GLN HE22 . . 4.630 4.117 3.829 4.607 . 0 0 "[ . 1 . 2]" 1
75 1 16 GLN HB3 1 17 LYS H . . 3.890 3.813 3.653 3.901 0.011 20 0 "[ . 1 . 2]" 1
76 1 16 GLN HB3 1 18 PHE QD . . 3.910 3.392 3.076 3.821 . 0 0 "[ . 1 . 2]" 1
77 1 16 GLN HB3 1 18 PHE QE . . 3.530 2.061 1.997 2.182 . 0 0 "[ . 1 . 2]" 1
78 1 16 GLN HB3 1 125 ALA MB . . 3.440 3.278 3.031 3.451 0.011 10 0 "[ . 1 . 2]" 1
79 1 16 GLN HE21 1 60 VAL MG1 . . 4.310 3.971 3.077 4.734 0.424 2 0 "[ . 1 . 2]" 1
80 1 16 GLN HE21 1 60 VAL MG2 . . 5.500 4.969 4.471 5.321 . 0 0 "[ . 1 . 2]" 1
81 1 16 GLN HE21 1 125 ALA HA . . 4.660 4.359 3.843 4.704 0.044 15 0 "[ . 1 . 2]" 1
82 1 16 GLN HE21 1 125 ALA MB . . 4.380 2.688 1.958 3.086 . 0 0 "[ . 1 . 2]" 1
83 1 16 GLN HE22 1 16 GLN HG3 . . 4.100 3.838 3.551 4.152 0.052 3 0 "[ . 1 . 2]" 1
84 1 16 GLN HE22 1 125 ALA MB . . 4.610 2.164 1.888 2.531 . 0 0 "[ . 1 . 2]" 1
85 1 16 GLN HG2 1 17 LYS H . . 4.690 4.210 3.791 4.667 . 0 0 "[ . 1 . 2]" 1
86 1 16 GLN HG2 1 18 PHE QE . . 4.530 3.575 2.996 4.114 . 0 0 "[ . 1 . 2]" 1
87 1 16 GLN HG2 1 125 ALA MB . . 4.640 4.181 3.722 4.603 . 0 0 "[ . 1 . 2]" 1
88 1 16 GLN HG3 1 17 LYS H . . 4.760 4.645 4.243 4.751 . 0 0 "[ . 1 . 2]" 1
89 1 16 GLN HG3 1 125 ALA MB . . 4.540 4.455 4.243 4.548 0.008 3 0 "[ . 1 . 2]" 1
90 1 17 LYS H 1 17 LYS HB2 . . 3.740 2.309 2.257 2.363 . 0 0 "[ . 1 . 2]" 1
91 1 17 LYS H 1 17 LYS HB3 . . 3.780 3.490 3.369 3.548 . 0 0 "[ . 1 . 2]" 1
92 1 17 LYS H 1 17 LYS HG2 . . 4.310 4.454 4.290 4.621 0.311 12 0 "[ . 1 . 2]" 1
93 1 17 LYS H 1 17 LYS HG3 . . 4.610 3.521 3.113 4.257 . 0 0 "[ . 1 . 2]" 1
94 1 17 LYS H 1 18 PHE H . . 4.820 4.438 4.380 4.492 . 0 0 "[ . 1 . 2]" 1
95 1 17 LYS H 1 18 PHE QD . . 5.410 4.850 4.747 4.946 . 0 0 "[ . 1 . 2]" 1
96 1 17 LYS HA 1 17 LYS HD2 . . 4.640 4.252 3.444 4.441 . 0 0 "[ . 1 . 2]" 1
97 1 17 LYS HA 1 17 LYS HE2 . . 4.830 4.927 4.639 5.336 0.506 17 1 "[ . 1 . + 2]" 1
98 1 17 LYS HA 1 17 LYS HG2 . . 4.150 2.712 2.489 3.440 . 0 0 "[ . 1 . 2]" 1
99 1 17 LYS HA 1 17 LYS HG3 . . 4.030 2.365 2.083 2.520 . 0 0 "[ . 1 . 2]" 1
100 1 17 LYS HA 1 18 PHE H . . 2.920 2.191 2.179 2.209 . 0 0 "[ . 1 . 2]" 1
101 1 17 LYS HA 1 18 PHE HB2 . . 4.980 4.324 4.255 4.440 . 0 0 "[ . 1 . 2]" 1
102 1 17 LYS HA 1 18 PHE QD . . 4.380 3.896 3.461 4.066 . 0 0 "[ . 1 . 2]" 1
103 1 17 LYS HA 1 57 ASN HB3 . . 4.950 3.874 3.711 4.139 . 0 0 "[ . 1 . 2]" 1
104 1 17 LYS HA 1 59 ASN HA . . 3.370 2.607 2.445 2.787 . 0 0 "[ . 1 . 2]" 1
105 1 17 LYS HA 1 59 ASN HB2 . . 4.990 4.532 4.335 4.719 . 0 0 "[ . 1 . 2]" 1
106 1 17 LYS HA 1 60 VAL H . . 4.090 3.947 3.691 4.100 0.010 11 0 "[ . 1 . 2]" 1
107 1 17 LYS HB2 1 17 LYS HE3 . . 4.660 2.945 1.984 3.487 . 0 0 "[ . 1 . 2]" 1
108 1 17 LYS HB2 1 18 PHE H . . 4.480 4.490 4.423 4.514 0.034 11 0 "[ . 1 . 2]" 1
109 1 17 LYS HB2 1 59 ASN HA . . 5.250 4.615 4.392 4.831 . 0 0 "[ . 1 . 2]" 1
110 1 17 LYS HB3 1 17 LYS HE3 . . 4.530 4.089 3.413 4.528 . 0 0 "[ . 1 . 2]" 1
111 1 17 LYS HB3 1 18 PHE H . . 4.230 3.504 3.367 3.566 . 0 0 "[ . 1 . 2]" 1
112 1 17 LYS HB3 1 57 ASN HB3 . . 4.620 2.991 2.801 3.256 . 0 0 "[ . 1 . 2]" 1
113 1 17 LYS HB3 1 59 ASN HA . . 4.650 4.564 4.314 4.659 0.009 4 0 "[ . 1 . 2]" 1
114 1 17 LYS HD2 1 17 LYS HE3 . . 2.780 2.620 2.414 2.940 0.160 12 0 "[ . 1 . 2]" 1
115 1 17 LYS HE2 1 17 LYS HG2 . . 3.430 3.377 3.009 3.989 0.559 17 5 "[ . *1* .-+ *]" 1
116 1 17 LYS HE2 1 17 LYS HG3 . . 3.450 2.822 2.278 4.204 0.754 12 3 "[* . 1 + . - 2]" 1
117 1 17 LYS HE3 1 59 ASN HD21 . . 4.950 4.287 3.125 5.229 0.279 9 0 "[ . 1 . 2]" 1
118 1 17 LYS HE3 1 59 ASN HD22 . . 4.590 4.449 3.432 5.544 0.954 11 4 "[- . *1+ . * 2]" 1
119 1 17 LYS HG2 1 18 PHE H . . 4.620 4.107 3.662 4.727 0.107 18 0 "[ . 1 . 2]" 1
120 1 17 LYS HG2 1 57 ASN HB3 . . 5.020 2.796 2.316 3.622 . 0 0 "[ . 1 . 2]" 1
121 1 17 LYS HG2 1 59 ASN HA . . 4.940 2.995 2.539 3.910 . 0 0 "[ . 1 . 2]" 1
122 1 17 LYS HG2 1 59 ASN HB2 . . 4.450 3.208 2.691 3.832 . 0 0 "[ . 1 . 2]" 1
123 1 17 LYS HG3 1 18 PHE H . . 4.720 4.332 3.440 4.630 . 0 0 "[ . 1 . 2]" 1
124 1 17 LYS HG3 1 57 ASN HB3 . . 4.500 4.161 2.665 4.956 0.456 10 0 "[ . 1 . 2]" 1
125 1 17 LYS HG3 1 59 ASN HA . . 4.650 2.320 2.160 2.517 . 0 0 "[ . 1 . 2]" 1
126 1 17 LYS HG3 1 59 ASN HB2 . . 5.080 3.278 2.970 3.513 . 0 0 "[ . 1 . 2]" 1
127 1 18 PHE H 1 18 PHE HB2 . . 3.850 2.432 2.367 2.498 . 0 0 "[ . 1 . 2]" 1
128 1 18 PHE H 1 18 PHE QD . . 3.620 3.155 2.758 3.360 . 0 0 "[ . 1 . 2]" 1
129 1 18 PHE H 1 57 ASN HA . . 5.020 3.891 3.701 4.187 . 0 0 "[ . 1 . 2]" 1
130 1 18 PHE H 1 57 ASN HB3 . . 4.710 3.682 3.460 3.916 . 0 0 "[ . 1 . 2]" 1
131 1 18 PHE H 1 58 MET H . . 3.950 2.078 1.918 2.352 . 0 0 "[ . 1 . 2]" 1
132 1 18 PHE H 1 58 MET HB2 . . 4.950 3.977 3.656 4.163 . 0 0 "[ . 1 . 2]" 1
133 1 18 PHE H 1 58 MET HB3 . . 4.580 2.782 2.694 2.918 . 0 0 "[ . 1 . 2]" 1
134 1 18 PHE H 1 58 MET HG2 . . 5.020 4.860 4.370 5.047 0.027 17 0 "[ . 1 . 2]" 1
135 1 18 PHE H 1 59 ASN HA . . 4.430 4.204 3.929 4.433 0.003 11 0 "[ . 1 . 2]" 1
136 1 18 PHE H 1 122 VAL MG2 . . 4.590 4.594 4.538 4.610 0.020 12 0 "[ . 1 . 2]" 1
137 1 18 PHE HB2 1 19 ARG H . . 4.600 4.455 4.334 4.529 . 0 0 "[ . 1 . 2]" 1
138 1 18 PHE HB2 1 20 VAL MG1 . . 3.730 2.853 2.713 3.139 . 0 0 "[ . 1 . 2]" 1
139 1 18 PHE HB2 1 20 VAL MG2 . . 4.980 4.050 3.636 4.294 . 0 0 "[ . 1 . 2]" 1
140 1 18 PHE HB2 1 57 ASN HA . . 5.180 4.973 4.816 5.105 . 0 0 "[ . 1 . 2]" 1
141 1 18 PHE HB2 1 58 MET H . . 4.760 3.189 2.997 3.392 . 0 0 "[ . 1 . 2]" 1
142 1 18 PHE HB2 1 58 MET HB2 . . 4.470 3.455 2.875 3.746 . 0 0 "[ . 1 . 2]" 1
143 1 18 PHE HB2 1 58 MET HB3 . . 4.090 2.237 2.006 2.490 . 0 0 "[ . 1 . 2]" 1
144 1 18 PHE HB2 1 122 VAL MG1 . . 4.770 3.916 3.398 4.221 . 0 0 "[ . 1 . 2]" 1
145 1 18 PHE HB2 1 122 VAL MG2 . . 3.780 2.568 2.434 2.625 . 0 0 "[ . 1 . 2]" 1
146 1 18 PHE HB3 1 19 ARG H . . 3.850 3.672 3.425 3.795 . 0 0 "[ . 1 . 2]" 1
147 1 18 PHE HB3 1 20 VAL MG1 . . 3.520 2.513 2.399 2.605 . 0 0 "[ . 1 . 2]" 1
148 1 18 PHE HB3 1 20 VAL MG2 . . 4.920 4.376 4.087 4.671 . 0 0 "[ . 1 . 2]" 1
149 1 18 PHE HB3 1 58 MET H . . 5.280 4.327 4.151 4.572 . 0 0 "[ . 1 . 2]" 1
150 1 18 PHE HB3 1 58 MET HB2 . . 5.090 4.718 4.333 5.067 . 0 0 "[ . 1 . 2]" 1
151 1 18 PHE HB3 1 58 MET HB3 . . 4.330 3.869 3.534 4.203 . 0 0 "[ . 1 . 2]" 1
152 1 18 PHE HB3 1 122 VAL MG2 . . 3.610 2.515 2.154 2.813 . 0 0 "[ . 1 . 2]" 1
153 1 18 PHE QD 1 19 ARG H . . 4.560 4.172 4.005 4.555 . 0 0 "[ . 1 . 2]" 1
154 1 18 PHE QD 1 20 VAL MG1 . . 4.150 4.080 3.957 4.159 0.009 10 0 "[ . 1 . 2]" 1
155 1 18 PHE QD 1 58 MET HB2 . . 4.840 4.679 4.007 4.848 0.008 11 0 "[ . 1 . 2]" 1
156 1 18 PHE QD 1 58 MET HB3 . . 4.100 3.042 2.353 3.212 . 0 0 "[ . 1 . 2]" 1
157 1 18 PHE QD 1 58 MET HG2 . . 4.160 3.962 3.686 4.168 0.008 20 0 "[ . 1 . 2]" 1
158 1 18 PHE QD 1 60 VAL MG2 . . 3.480 3.074 2.844 3.475 . 0 0 "[ . 1 . 2]" 1
159 1 18 PHE QD 1 121 ASN HB3 . . 5.030 4.842 4.168 5.343 0.313 18 0 "[ . 1 . 2]" 1
160 1 18 PHE QD 1 122 VAL HA . . 4.090 3.652 3.311 3.921 . 0 0 "[ . 1 . 2]" 1
161 1 18 PHE QD 1 122 VAL MG1 . . 4.530 3.905 3.594 4.192 . 0 0 "[ . 1 . 2]" 1
162 1 18 PHE QD 1 122 VAL MG2 . . 3.400 2.661 2.429 2.802 . 0 0 "[ . 1 . 2]" 1
163 1 18 PHE QD 1 125 ALA MB . . 4.100 3.856 3.522 4.046 . 0 0 "[ . 1 . 2]" 1
164 1 18 PHE QE 1 60 VAL HB . . 4.360 3.912 2.959 4.355 . 0 0 "[ . 1 . 2]" 1
165 1 18 PHE QE 1 60 VAL MG2 . . 4.100 3.431 2.557 3.849 . 0 0 "[ . 1 . 2]" 1
166 1 18 PHE QE 1 121 ASN HB2 . . 4.010 3.853 2.584 4.174 0.164 17 0 "[ . 1 . 2]" 1
167 1 18 PHE QE 1 121 ASN HB3 . . 4.270 3.347 2.890 4.021 . 0 0 "[ . 1 . 2]" 1
168 1 18 PHE QE 1 122 VAL HA . . 3.960 3.436 3.214 3.671 . 0 0 "[ . 1 . 2]" 1
169 1 18 PHE QE 1 122 VAL MG2 . . 3.850 3.421 3.317 3.554 . 0 0 "[ . 1 . 2]" 1
170 1 18 PHE QE 1 125 ALA MB . . 3.760 2.437 2.162 2.697 . 0 0 "[ . 1 . 2]" 1
171 1 18 PHE HZ 1 125 ALA MB . . 4.240 3.285 2.395 3.785 . 0 0 "[ . 1 . 2]" 1
172 1 19 ARG H 1 19 ARG HB2 . . 3.600 2.331 2.160 2.869 . 0 0 "[ . 1 . 2]" 1
173 1 19 ARG H 1 19 ARG HB3 . . 3.700 2.680 2.244 2.862 . 0 0 "[ . 1 . 2]" 1
174 1 19 ARG H 1 19 ARG QG . . 4.260 3.805 3.766 3.850 . 0 0 "[ . 1 . 2]" 1
175 1 19 ARG H 1 20 VAL MG1 . . 4.590 3.933 3.814 4.048 . 0 0 "[ . 1 . 2]" 1
176 1 19 ARG HA 1 19 ARG HD3 . . 4.150 4.153 4.004 4.224 0.074 11 0 "[ . 1 . 2]" 1
177 1 19 ARG HA 1 19 ARG QG . . 3.450 2.274 2.133 2.624 . 0 0 "[ . 1 . 2]" 1
178 1 19 ARG HA 1 20 VAL H . . 2.880 2.254 2.233 2.264 . 0 0 "[ . 1 . 2]" 1
179 1 19 ARG HA 1 20 VAL MG1 . . 4.720 3.822 3.572 4.066 . 0 0 "[ . 1 . 2]" 1
180 1 19 ARG HA 1 20 VAL MG2 . . 4.240 3.955 3.717 4.132 . 0 0 "[ . 1 . 2]" 1
181 1 19 ARG HA 1 56 VAL H . . 5.010 4.854 4.705 4.952 . 0 0 "[ . 1 . 2]" 1
182 1 19 ARG HA 1 56 VAL MG2 . . 4.560 4.584 4.572 4.604 0.044 20 0 "[ . 1 . 2]" 1
183 1 19 ARG HA 1 57 ASN HA . . 3.510 2.209 1.988 2.425 . 0 0 "[ . 1 . 2]" 1
184 1 19 ARG HA 1 57 ASN HB3 . . 4.920 4.214 4.023 4.444 . 0 0 "[ . 1 . 2]" 1
185 1 19 ARG HA 1 58 MET H . . 4.370 3.815 3.575 3.997 . 0 0 "[ . 1 . 2]" 1
186 1 19 ARG HB2 1 19 ARG HD2 . . 3.830 3.005 2.747 3.125 . 0 0 "[ . 1 . 2]" 1
187 1 19 ARG HB3 1 19 ARG HD2 . . 3.390 2.526 1.985 3.917 0.527 10 1 "[ . + . 2]" 1
188 1 19 ARG HB3 1 20 VAL H . . 4.570 4.383 4.272 4.588 0.018 10 0 "[ . 1 . 2]" 1
189 1 19 ARG HD3 1 20 VAL H . . 4.950 4.990 4.673 5.768 0.818 11 5 "[ . * -+* *. 2]" 1
190 1 19 ARG QG 1 20 VAL H . . 3.650 3.246 3.003 3.351 . 0 0 "[ . 1 . 2]" 1
191 1 19 ARG QG 1 20 VAL HA . . 4.810 4.328 3.457 4.670 . 0 0 "[ . 1 . 2]" 1
192 1 19 ARG QG 1 56 VAL H . . 4.910 4.089 3.962 4.203 . 0 0 "[ . 1 . 2]" 1
193 1 19 ARG QG 1 57 ASN HA . . 4.680 3.843 3.510 4.441 . 0 0 "[ . 1 . 2]" 1
194 1 20 VAL H 1 20 VAL MG1 . . 3.780 2.840 2.689 3.034 . 0 0 "[ . 1 . 2]" 1
195 1 20 VAL H 1 20 VAL MG2 . . 3.230 2.125 1.970 2.334 . 0 0 "[ . 1 . 2]" 1
196 1 20 VAL H 1 21 GLN H . . 5.030 4.464 4.431 4.484 . 0 0 "[ . 1 . 2]" 1
197 1 20 VAL H 1 55 SER HA . . 4.970 4.890 4.735 4.981 0.011 10 0 "[ . 1 . 2]" 1
198 1 20 VAL H 1 56 VAL H . . 4.080 3.610 3.479 3.693 . 0 0 "[ . 1 . 2]" 1
199 1 20 VAL H 1 57 ASN HA . . 4.000 2.672 2.538 2.827 . 0 0 "[ . 1 . 2]" 1
200 1 20 VAL HA 1 20 VAL MG1 . . 3.120 2.360 2.202 2.470 . 0 0 "[ . 1 . 2]" 1
201 1 20 VAL HA 1 20 VAL MG2 . . 3.650 3.213 3.203 3.219 . 0 0 "[ . 1 . 2]" 1
202 1 20 VAL HA 1 21 GLN H . . 3.130 2.410 2.376 2.468 . 0 0 "[ . 1 . 2]" 1
203 1 20 VAL HA 1 21 GLN HG3 . . 4.380 4.077 3.709 4.234 . 0 0 "[ . 1 . 2]" 1
204 1 20 VAL HA 1 115 CYS HA . . 4.080 3.442 3.079 3.670 . 0 0 "[ . 1 . 2]" 1
205 1 20 VAL HA 1 116 GLU H . . 4.830 4.788 4.574 4.843 0.013 8 0 "[ . 1 . 2]" 1
206 1 20 VAL HB 1 21 GLN H . . 3.190 2.652 2.489 2.729 . 0 0 "[ . 1 . 2]" 1
207 1 20 VAL HB 1 113 PHE HB3 . . 4.390 2.741 2.501 3.143 . 0 0 "[ . 1 . 2]" 1
208 1 20 VAL HB 1 113 PHE QD . . 4.960 4.214 3.979 4.537 . 0 0 "[ . 1 . 2]" 1
209 1 20 VAL HB 1 114 TRP H . . 4.040 2.704 2.479 3.051 . 0 0 "[ . 1 . 2]" 1
210 1 20 VAL HB 1 115 CYS HA . . 4.550 3.151 2.672 3.353 . 0 0 "[ . 1 . 2]" 1
211 1 20 VAL MG1 1 21 GLN H . . 3.970 3.919 3.734 3.990 0.020 9 0 "[ . 1 . 2]" 1
212 1 20 VAL MG1 1 58 MET H . . 4.880 3.738 3.431 4.103 . 0 0 "[ . 1 . 2]" 1
213 1 20 VAL MG1 1 113 PHE HB3 . . 4.340 3.737 3.490 3.974 . 0 0 "[ . 1 . 2]" 1
214 1 20 VAL MG1 1 115 CYS HA . . 3.590 2.126 1.834 2.436 . 0 0 "[ . 1 . 2]" 1
215 1 20 VAL MG1 1 115 CYS HB3 . . 4.350 2.625 2.385 2.871 . 0 0 "[ . 1 . 2]" 1
216 1 20 VAL MG1 1 116 GLU H . . 4.350 3.452 3.023 3.794 . 0 0 "[ . 1 . 2]" 1
217 1 20 VAL MG1 1 122 VAL MG1 . . 4.110 3.283 2.569 3.706 . 0 0 "[ . 1 . 2]" 1
218 1 20 VAL MG1 1 122 VAL MG2 . . 3.040 2.603 2.440 2.903 . 0 0 "[ . 1 . 2]" 1
219 1 20 VAL MG2 1 21 GLN H . . 3.580 3.429 3.157 3.572 . 0 0 "[ . 1 . 2]" 1
220 1 20 VAL MG2 1 21 GLN HA . . 4.650 4.091 3.959 4.228 . 0 0 "[ . 1 . 2]" 1
221 1 20 VAL MG2 1 56 VAL H . . 4.070 3.855 3.705 3.971 . 0 0 "[ . 1 . 2]" 1
222 1 20 VAL MG2 1 57 ASN H . . 4.910 4.608 4.460 4.771 . 0 0 "[ . 1 . 2]" 1
223 1 20 VAL MG2 1 57 ASN HA . . 4.480 3.449 3.250 3.669 . 0 0 "[ . 1 . 2]" 1
224 1 20 VAL MG2 1 58 MET H . . 4.170 3.420 3.238 3.613 . 0 0 "[ . 1 . 2]" 1
225 1 20 VAL MG2 1 58 MET HB2 . . 3.640 2.394 2.140 2.624 . 0 0 "[ . 1 . 2]" 1
226 1 20 VAL MG2 1 58 MET HB3 . . 3.890 3.546 3.260 3.882 . 0 0 "[ . 1 . 2]" 1
227 1 20 VAL MG2 1 113 PHE HA . . 4.500 3.964 3.750 4.222 . 0 0 "[ . 1 . 2]" 1
228 1 20 VAL MG2 1 113 PHE HB2 . . 4.310 3.451 3.178 3.639 . 0 0 "[ . 1 . 2]" 1
229 1 20 VAL MG2 1 113 PHE HB3 . . 3.740 2.253 2.026 2.489 . 0 0 "[ . 1 . 2]" 1
230 1 20 VAL MG2 1 113 PHE QD . . 3.160 2.476 2.240 2.671 . 0 0 "[ . 1 . 2]" 1
231 1 20 VAL MG2 1 113 PHE QE . . 4.010 3.942 3.794 4.027 0.017 3 0 "[ . 1 . 2]" 1
232 1 20 VAL MG2 1 114 TRP H . . 4.860 3.378 3.186 3.581 . 0 0 "[ . 1 . 2]" 1
233 1 21 GLN H 1 21 GLN HB2 . . 3.650 2.233 2.194 2.358 . 0 0 "[ . 1 . 2]" 1
234 1 21 GLN H 1 21 GLN HB3 . . 4.180 3.497 3.460 3.574 . 0 0 "[ . 1 . 2]" 1
235 1 21 GLN H 1 21 GLN HG3 . . 3.730 2.998 2.675 3.120 . 0 0 "[ . 1 . 2]" 1
236 1 21 GLN H 1 22 TYR H . . 5.430 4.604 4.590 4.615 . 0 0 "[ . 1 . 2]" 1
237 1 21 GLN H 1 113 PHE QD . . 5.320 4.775 4.593 4.963 . 0 0 "[ . 1 . 2]" 1
238 1 21 GLN H 1 114 TRP HB3 . . 4.470 2.548 2.329 2.856 . 0 0 "[ . 1 . 2]" 1
239 1 21 GLN H 1 115 CYS HA . . 5.150 4.477 4.126 4.655 . 0 0 "[ . 1 . 2]" 1
240 1 21 GLN HA 1 21 GLN HG2 . . 3.270 2.460 2.325 2.718 . 0 0 "[ . 1 . 2]" 1
241 1 21 GLN HA 1 22 TYR H . . 3.230 2.338 2.281 2.479 . 0 0 "[ . 1 . 2]" 1
242 1 21 GLN HA 1 22 TYR HB2 . . 4.500 4.048 3.995 4.095 . 0 0 "[ . 1 . 2]" 1
243 1 21 GLN HA 1 53 TRP HB2 . . 5.020 4.323 4.241 4.425 . 0 0 "[ . 1 . 2]" 1
244 1 21 GLN HA 1 53 TRP HB3 . . 4.600 3.936 3.836 4.067 . 0 0 "[ . 1 . 2]" 1
245 1 21 GLN HA 1 55 SER HA . . 3.360 2.445 2.316 2.514 . 0 0 "[ . 1 . 2]" 1
246 1 21 GLN HA 1 55 SER HB3 . . 4.460 4.563 4.470 5.279 0.819 3 2 "[ + . 1 . - 2]" 1
247 1 21 GLN HA 1 56 VAL H . . 3.940 2.576 2.427 2.707 . 0 0 "[ . 1 . 2]" 1
248 1 21 GLN HA 1 56 VAL MG1 . . 4.730 3.695 3.509 3.801 . 0 0 "[ . 1 . 2]" 1
249 1 21 GLN HA 1 56 VAL MG2 . . 4.040 3.194 3.012 3.296 . 0 0 "[ . 1 . 2]" 1
250 1 21 GLN HB2 1 22 TYR H . . 4.860 4.161 3.767 4.310 . 0 0 "[ . 1 . 2]" 1
251 1 21 GLN HB2 1 23 LEU MD1 . . 4.030 3.643 3.495 3.740 . 0 0 "[ . 1 . 2]" 1
252 1 21 GLN HB2 1 53 TRP HB2 . . 4.170 3.381 3.186 3.453 . 0 0 "[ . 1 . 2]" 1
253 1 21 GLN HB2 1 53 TRP HB3 . . 4.110 3.657 3.398 3.804 . 0 0 "[ . 1 . 2]" 1
254 1 21 GLN HB2 1 53 TRP HE3 . . 4.040 2.953 2.732 3.096 . 0 0 "[ . 1 . 2]" 1
255 1 21 GLN HB2 1 114 TRP H . . 4.450 3.306 3.110 3.485 . 0 0 "[ . 1 . 2]" 1
256 1 21 GLN HB2 1 114 TRP HB2 . . 4.130 3.247 3.104 3.479 . 0 0 "[ . 1 . 2]" 1
257 1 21 GLN HB2 1 114 TRP HB3 . . 3.780 1.990 1.978 1.998 . 0 0 "[ . 1 . 2]" 1
258 1 21 GLN HB3 1 21 GLN HE21 . . 4.450 3.237 2.918 3.481 . 0 0 "[ . 1 . 2]" 1
259 1 21 GLN HB3 1 21 GLN HE22 . . 5.120 4.094 3.965 4.220 . 0 0 "[ . 1 . 2]" 1
260 1 21 GLN HB3 1 22 TYR H . . 4.170 2.941 2.503 3.155 . 0 0 "[ . 1 . 2]" 1
261 1 21 GLN HB3 1 23 LEU MD1 . . 4.310 3.767 3.656 4.073 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLN HB3 1 53 TRP H . . 4.850 4.561 4.473 4.642 . 0 0 "[ . 1 . 2]" 1
263 1 21 GLN HB3 1 53 TRP HB2 . . 3.980 2.003 1.991 2.083 . 0 0 "[ . 1 . 2]" 1
264 1 21 GLN HB3 1 53 TRP HB3 . . 3.830 2.010 1.989 2.122 . 0 0 "[ . 1 . 2]" 1
265 1 21 GLN HB3 1 53 TRP HE3 . . 3.940 2.829 2.544 3.141 . 0 0 "[ . 1 . 2]" 1
266 1 21 GLN HB3 1 55 SER HA . . 4.930 4.514 4.188 4.743 . 0 0 "[ . 1 . 2]" 1
267 1 21 GLN HB3 1 114 TRP HB3 . . 4.310 3.574 3.479 3.665 . 0 0 "[ . 1 . 2]" 1
268 1 21 GLN HE21 1 21 GLN HG2 . . 3.560 2.142 2.103 2.226 . 0 0 "[ . 1 . 2]" 1
269 1 21 GLN HE21 1 50 LYS HG2 . . 5.450 4.863 4.194 5.254 . 0 0 "[ . 1 . 2]" 1
270 1 21 GLN HE21 1 53 TRP H . . 4.440 3.418 3.075 3.726 . 0 0 "[ . 1 . 2]" 1
271 1 21 GLN HE21 1 53 TRP HB2 . . 4.130 2.445 2.097 2.837 . 0 0 "[ . 1 . 2]" 1
272 1 21 GLN HE21 1 53 TRP HB3 . . 4.310 3.857 3.513 4.207 . 0 0 "[ . 1 . 2]" 1
273 1 21 GLN HE21 1 53 TRP HE3 . . 4.870 3.876 3.209 4.374 . 0 0 "[ . 1 . 2]" 1
274 1 21 GLN HE22 1 21 GLN HG2 . . 4.080 3.461 3.446 3.495 . 0 0 "[ . 1 . 2]" 1
275 1 21 GLN HE22 1 50 LYS HG2 . . 4.630 3.199 2.588 3.554 . 0 0 "[ . 1 . 2]" 1
276 1 21 GLN HE22 1 50 LYS HG3 . . 4.740 2.865 2.232 3.307 . 0 0 "[ . 1 . 2]" 1
277 1 21 GLN HE22 1 53 TRP H . . 4.370 3.739 3.234 4.325 . 0 0 "[ . 1 . 2]" 1
278 1 21 GLN HE22 1 53 TRP HB2 . . 4.470 3.139 2.817 3.426 . 0 0 "[ . 1 . 2]" 1
279 1 21 GLN HE22 1 53 TRP HB3 . . 5.090 4.841 4.528 5.092 0.002 2 0 "[ . 1 . 2]" 1
280 1 21 GLN HE22 1 53 TRP HE3 . . 4.850 3.504 2.999 4.037 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLN HG2 1 22 TYR H . . 4.160 3.709 3.596 3.959 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLN HG2 1 53 TRP H . . 5.010 5.006 4.955 5.029 0.019 13 0 "[ . 1 . 2]" 1
283 1 21 GLN HG2 1 53 TRP HB2 . . 4.290 3.112 2.970 3.239 . 0 0 "[ . 1 . 2]" 1
284 1 21 GLN HG2 1 53 TRP HE3 . . 4.440 4.419 4.270 4.462 0.022 8 0 "[ . 1 . 2]" 1
285 1 21 GLN HG2 1 55 SER HA . . 3.610 2.721 2.549 2.849 . 0 0 "[ . 1 . 2]" 1
286 1 21 GLN HG2 1 55 SER HB3 . . 4.110 4.015 3.866 4.525 0.415 17 0 "[ . 1 . 2]" 1
287 1 21 GLN HG2 1 56 VAL H . . 4.660 4.357 4.218 4.544 . 0 0 "[ . 1 . 2]" 1
288 1 21 GLN HG3 1 114 TRP HB3 . . 4.040 4.050 4.002 4.071 0.031 13 0 "[ . 1 . 2]" 1
289 1 22 TYR H 1 22 TYR HB2 . . 3.470 2.342 2.229 2.530 . 0 0 "[ . 1 . 2]" 1
290 1 22 TYR H 1 22 TYR QD . . 4.740 4.125 4.095 4.181 . 0 0 "[ . 1 . 2]" 1
291 1 22 TYR H 1 53 TRP HB2 . . 5.170 4.030 3.734 4.205 . 0 0 "[ . 1 . 2]" 1
292 1 22 TYR H 1 53 TRP HB3 . . 4.490 2.812 2.505 2.994 . 0 0 "[ . 1 . 2]" 1
293 1 22 TYR H 1 54 PRO HG2 . . 5.030 3.641 3.577 3.709 . 0 0 "[ . 1 . 2]" 1
294 1 22 TYR H 1 54 PRO HG3 . . 5.080 4.940 4.860 5.024 . 0 0 "[ . 1 . 2]" 1
295 1 22 TYR H 1 55 SER HA . . 4.290 4.078 3.996 4.208 . 0 0 "[ . 1 . 2]" 1
296 1 22 TYR H 1 56 VAL H . . 5.070 3.734 3.589 4.010 . 0 0 "[ . 1 . 2]" 1
297 1 22 TYR H 1 56 VAL MG1 . . 4.350 3.066 2.898 3.354 . 0 0 "[ . 1 . 2]" 1
298 1 22 TYR H 1 56 VAL MG2 . . 3.710 3.142 2.894 3.439 . 0 0 "[ . 1 . 2]" 1
299 1 22 TYR HA 1 22 TYR QD . . 3.270 2.043 1.989 2.092 . 0 0 "[ . 1 . 2]" 1
300 1 22 TYR HA 1 22 TYR QE . . 4.260 4.317 4.301 4.338 0.078 2 0 "[ . 1 . 2]" 1
301 1 22 TYR HA 1 23 LEU H . . 3.180 2.219 2.190 2.235 . 0 0 "[ . 1 . 2]" 1
302 1 22 TYR HA 1 23 LEU HA . . 4.870 4.421 4.383 4.439 . 0 0 "[ . 1 . 2]" 1
303 1 22 TYR HA 1 23 LEU HB2 . . 4.770 4.303 4.275 4.365 . 0 0 "[ . 1 . 2]" 1
304 1 22 TYR HA 1 23 LEU MD1 . . 4.020 3.916 3.670 4.029 0.009 7 0 "[ . 1 . 2]" 1
305 1 22 TYR HA 1 24 GLY H . . 4.250 3.780 3.660 3.850 . 0 0 "[ . 1 . 2]" 1
306 1 22 TYR HA 1 53 TRP HB3 . . 4.800 4.261 4.190 4.391 . 0 0 "[ . 1 . 2]" 1
307 1 22 TYR HA 1 56 VAL MG1 . . 4.730 4.324 4.231 4.479 . 0 0 "[ . 1 . 2]" 1
308 1 22 TYR HA 1 56 VAL MG2 . . 4.470 3.430 3.268 3.602 . 0 0 "[ . 1 . 2]" 1
309 1 22 TYR HA 1 113 PHE HA . . 3.640 3.034 2.925 3.126 . 0 0 "[ . 1 . 2]" 1
310 1 22 TYR HA 1 113 PHE QD . . 4.000 2.370 2.151 2.560 . 0 0 "[ . 1 . 2]" 1
311 1 22 TYR HA 1 113 PHE QE . . 4.900 3.333 3.105 3.509 . 0 0 "[ . 1 . 2]" 1
312 1 22 TYR HA 1 114 TRP H . . 4.920 4.424 4.252 4.523 . 0 0 "[ . 1 . 2]" 1
313 1 22 TYR HB2 1 56 VAL MG1 . . 3.440 2.135 2.023 2.254 . 0 0 "[ . 1 . 2]" 1
314 1 22 TYR HB2 1 56 VAL MG2 . . 3.160 2.348 2.192 2.528 . 0 0 "[ . 1 . 2]" 1
315 1 22 TYR HB2 1 67 VAL MG1 . . 4.330 3.893 3.720 4.015 . 0 0 "[ . 1 . 2]" 1
316 1 22 TYR HB2 1 113 PHE QD . . 4.920 3.899 3.744 4.065 . 0 0 "[ . 1 . 2]" 1
317 1 22 TYR HB3 1 23 LEU H . . 4.700 4.339 4.229 4.391 . 0 0 "[ . 1 . 2]" 1
318 1 22 TYR HB3 1 24 GLY H . . 5.000 4.853 4.702 4.956 . 0 0 "[ . 1 . 2]" 1
319 1 22 TYR HB3 1 54 PRO HB2 . . 4.610 4.353 4.270 4.422 . 0 0 "[ . 1 . 2]" 1
320 1 22 TYR HB3 1 54 PRO HD2 . . 4.820 2.011 1.984 2.085 . 0 0 "[ . 1 . 2]" 1
321 1 22 TYR HB3 1 54 PRO HG2 . . 4.070 2.355 2.303 2.437 . 0 0 "[ . 1 . 2]" 1
322 1 22 TYR HB3 1 54 PRO HG3 . . 4.090 3.676 3.613 3.753 . 0 0 "[ . 1 . 2]" 1
323 1 22 TYR QD 1 23 LEU H . . 3.770 2.492 2.221 2.594 . 0 0 "[ . 1 . 2]" 1
324 1 22 TYR QD 1 23 LEU MD1 . . 4.650 4.537 4.271 4.661 0.011 14 0 "[ . 1 . 2]" 1
325 1 22 TYR QD 1 24 GLY H . . 3.770 2.259 2.139 2.346 . 0 0 "[ . 1 . 2]" 1
326 1 22 TYR QD 1 24 GLY HA2 . . 4.920 3.522 3.401 3.627 . 0 0 "[ . 1 . 2]" 1
327 1 22 TYR QD 1 54 PRO HG2 . . 4.180 3.333 3.232 3.370 . 0 0 "[ . 1 . 2]" 1
328 1 22 TYR QD 1 54 PRO HG3 . . 4.690 4.677 4.558 4.706 0.016 16 0 "[ . 1 . 2]" 1
329 1 22 TYR QD 1 56 VAL MG1 . . 3.550 2.508 2.248 2.673 . 0 0 "[ . 1 . 2]" 1
330 1 22 TYR QD 1 56 VAL MG2 . . 4.190 3.445 3.386 3.489 . 0 0 "[ . 1 . 2]" 1
331 1 22 TYR QD 1 67 VAL MG1 . . 4.330 3.460 3.293 3.557 . 0 0 "[ . 1 . 2]" 1
332 1 22 TYR QD 1 77 LEU MD1 . . 4.320 3.080 2.800 3.368 . 0 0 "[ . 1 . 2]" 1
333 1 22 TYR QD 1 77 LEU MD2 . . 3.530 3.430 3.157 3.537 0.007 19 0 "[ . 1 . 2]" 1
334 1 22 TYR QD 1 111 HIS HB3 . . 4.690 4.601 4.350 4.702 0.012 19 0 "[ . 1 . 2]" 1
335 1 22 TYR QD 1 112 VAL H . . 4.540 4.343 3.923 4.550 0.010 18 0 "[ . 1 . 2]" 1
336 1 22 TYR QD 1 113 PHE HA . . 4.550 4.086 3.988 4.199 . 0 0 "[ . 1 . 2]" 1
337 1 22 TYR QD 1 113 PHE QD . . 4.080 3.542 3.325 3.788 . 0 0 "[ . 1 . 2]" 1
338 1 22 TYR QD 1 113 PHE QE . . 3.930 3.190 2.932 3.401 . 0 0 "[ . 1 . 2]" 1
339 1 22 TYR QE 1 24 GLY H . . 4.010 3.094 2.975 3.149 . 0 0 "[ . 1 . 2]" 1
340 1 22 TYR QE 1 24 GLY HA2 . . 4.140 3.347 3.211 3.445 . 0 0 "[ . 1 . 2]" 1
341 1 22 TYR QE 1 24 GLY HA3 . . 4.640 4.644 4.578 4.665 0.025 3 0 "[ . 1 . 2]" 1
342 1 22 TYR QE 1 56 VAL MG2 . . 4.650 4.634 4.526 4.665 0.015 18 0 "[ . 1 . 2]" 1
343 1 22 TYR QE 1 67 VAL MG1 . . 4.650 3.686 3.328 3.880 . 0 0 "[ . 1 . 2]" 1
344 1 22 TYR QE 1 77 LEU HB2 . . 4.850 3.761 3.241 4.021 . 0 0 "[ . 1 . 2]" 1
345 1 22 TYR QE 1 77 LEU HB3 . . 4.270 2.719 2.431 3.063 . 0 0 "[ . 1 . 2]" 1
346 1 22 TYR QE 1 77 LEU MD1 . . 4.350 3.995 3.640 4.238 . 0 0 "[ . 1 . 2]" 1
347 1 22 TYR QE 1 77 LEU MD2 . . 3.750 3.668 3.314 3.764 0.014 2 0 "[ . 1 . 2]" 1
348 1 22 TYR QE 1 78 VAL HB . . 3.860 3.834 3.712 3.889 0.029 2 0 "[ . 1 . 2]" 1
349 1 22 TYR QE 1 78 VAL MG2 . . 3.910 2.258 1.991 2.682 . 0 0 "[ . 1 . 2]" 1
350 1 22 TYR QE 1 111 HIS HB3 . . 3.350 3.019 2.781 3.138 . 0 0 "[ . 1 . 2]" 1
351 1 22 TYR QE 1 112 VAL H . . 3.700 3.633 3.224 3.719 0.019 8 0 "[ . 1 . 2]" 1
352 1 22 TYR QE 1 113 PHE QE . . 4.250 3.485 3.263 3.676 . 0 0 "[ . 1 . 2]" 1
353 1 23 LEU H 1 23 LEU HB2 . . 3.830 2.127 2.096 2.192 . 0 0 "[ . 1 . 2]" 1
354 1 23 LEU H 1 23 LEU HB3 . . 4.130 3.430 3.404 3.472 . 0 0 "[ . 1 . 2]" 1
355 1 23 LEU H 1 23 LEU MD1 . . 3.270 2.433 2.244 2.744 . 0 0 "[ . 1 . 2]" 1
356 1 23 LEU H 1 23 LEU MD2 . . 4.340 4.268 4.184 4.350 0.010 5 0 "[ . 1 . 2]" 1
357 1 23 LEU H 1 23 LEU HG . . 5.030 3.555 3.379 3.672 . 0 0 "[ . 1 . 2]" 1
358 1 23 LEU H 1 24 GLY H . . 3.340 2.583 2.413 2.697 . 0 0 "[ . 1 . 2]" 1
359 1 23 LEU H 1 44 LEU MD1 . . 4.740 4.357 4.175 4.584 . 0 0 "[ . 1 . 2]" 1
360 1 23 LEU H 1 112 VAL H . . 5.220 4.609 4.124 4.973 . 0 0 "[ . 1 . 2]" 1
361 1 23 LEU H 1 112 VAL HB . . 4.820 3.901 3.686 4.142 . 0 0 "[ . 1 . 2]" 1
362 1 23 LEU H 1 112 VAL MG1 . . 4.580 3.611 3.459 3.712 . 0 0 "[ . 1 . 2]" 1
363 1 23 LEU H 1 113 PHE HA . . 3.770 2.623 2.452 2.820 . 0 0 "[ . 1 . 2]" 1
364 1 23 LEU H 1 113 PHE QD . . 4.970 3.827 3.605 4.015 . 0 0 "[ . 1 . 2]" 1
365 1 23 LEU H 1 114 TRP H . . 4.830 4.529 4.283 4.796 . 0 0 "[ . 1 . 2]" 1
366 1 23 LEU HA 1 23 LEU MD1 . . 3.470 3.266 3.214 3.321 . 0 0 "[ . 1 . 2]" 1
367 1 23 LEU HA 1 23 LEU MD2 . . 3.770 3.384 3.293 3.431 . 0 0 "[ . 1 . 2]" 1
368 1 23 LEU HA 1 23 LEU HG . . 3.250 2.163 2.137 2.215 . 0 0 "[ . 1 . 2]" 1
369 1 23 LEU HA 1 53 TRP HA . . 4.740 3.985 3.878 4.143 . 0 0 "[ . 1 . 2]" 1
370 1 23 LEU HA 1 53 TRP HB3 . . 4.490 3.231 3.103 3.387 . 0 0 "[ . 1 . 2]" 1
371 1 23 LEU HA 1 53 TRP HD1 . . 3.950 2.746 2.524 3.231 . 0 0 "[ . 1 . 2]" 1
372 1 23 LEU HA 1 53 TRP HE1 . . 4.800 3.448 3.203 3.833 . 0 0 "[ . 1 . 2]" 1
373 1 23 LEU HB2 1 23 LEU MD1 . . 3.450 2.009 1.961 2.120 . 0 0 "[ . 1 . 2]" 1
374 1 23 LEU HB2 1 23 LEU MD2 . . 3.360 2.811 2.763 2.845 . 0 0 "[ . 1 . 2]" 1
375 1 23 LEU HB2 1 24 GLY H . . 4.340 2.831 2.777 2.912 . 0 0 "[ . 1 . 2]" 1
376 1 23 LEU HB2 1 44 LEU HB3 . . 4.160 3.904 3.307 4.165 0.005 16 0 "[ . 1 . 2]" 1
377 1 23 LEU HB2 1 44 LEU MD1 . . 4.520 3.059 2.600 3.306 . 0 0 "[ . 1 . 2]" 1
378 1 23 LEU HB2 1 112 VAL H . . 5.040 3.984 3.815 4.208 . 0 0 "[ . 1 . 2]" 1
379 1 23 LEU HB2 1 112 VAL HB . . 3.760 2.281 2.109 2.507 . 0 0 "[ . 1 . 2]" 1
380 1 23 LEU HB2 1 112 VAL MG1 . . 3.860 1.997 1.962 2.217 . 0 0 "[ . 1 . 2]" 1
381 1 23 LEU HB3 1 23 LEU MD2 . . 3.120 2.006 1.934 2.157 . 0 0 "[ . 1 . 2]" 1
382 1 23 LEU HB3 1 24 GLY H . . 4.550 3.332 3.240 3.492 . 0 0 "[ . 1 . 2]" 1
383 1 23 LEU HB3 1 44 LEU HB2 . . 4.350 3.427 3.275 3.780 . 0 0 "[ . 1 . 2]" 1
384 1 23 LEU HB3 1 44 LEU MD1 . . 4.220 2.463 2.133 2.840 . 0 0 "[ . 1 . 2]" 1
385 1 23 LEU HB3 1 44 LEU MD2 . . 4.300 3.193 2.938 3.338 . 0 0 "[ . 1 . 2]" 1
386 1 23 LEU HB3 1 112 VAL HB . . 4.130 2.819 2.554 3.285 . 0 0 "[ . 1 . 2]" 1
387 1 23 LEU MD1 1 24 GLY H . . 4.560 4.224 4.101 4.307 . 0 0 "[ . 1 . 2]" 1
388 1 23 LEU MD1 1 53 TRP HB2 . . 4.820 4.395 4.331 4.465 . 0 0 "[ . 1 . 2]" 1
389 1 23 LEU MD1 1 53 TRP HB3 . . 3.910 3.895 3.853 3.921 0.011 1 0 "[ . 1 . 2]" 1
390 1 23 LEU MD1 1 53 TRP HE3 . . 3.840 3.294 2.809 3.524 . 0 0 "[ . 1 . 2]" 1
391 1 23 LEU MD1 1 53 TRP HH2 . . 4.570 4.084 3.641 4.340 . 0 0 "[ . 1 . 2]" 1
392 1 23 LEU MD1 1 53 TRP HZ3 . . 4.190 3.579 2.898 3.876 . 0 0 "[ . 1 . 2]" 1
393 1 23 LEU MD1 1 112 VAL H . . 5.310 4.982 4.828 5.219 . 0 0 "[ . 1 . 2]" 1
394 1 23 LEU MD1 1 112 VAL MG1 . . 3.310 1.964 1.852 2.109 . 0 0 "[ . 1 . 2]" 1
395 1 23 LEU MD1 1 113 PHE H . . 4.550 3.200 2.918 3.543 . 0 0 "[ . 1 . 2]" 1
396 1 23 LEU MD1 1 113 PHE HA . . 3.460 2.289 2.102 2.522 . 0 0 "[ . 1 . 2]" 1
397 1 23 LEU MD1 1 114 TRP H . . 3.420 3.157 2.948 3.383 . 0 0 "[ . 1 . 2]" 1
398 1 23 LEU MD1 1 114 TRP HA . . 4.160 3.511 3.336 3.728 . 0 0 "[ . 1 . 2]" 1
399 1 23 LEU MD1 1 114 TRP HB2 . . 3.240 2.276 2.161 2.528 . 0 0 "[ . 1 . 2]" 1
400 1 23 LEU MD1 1 114 TRP HB3 . . 3.510 3.284 3.036 3.475 . 0 0 "[ . 1 . 2]" 1
401 1 23 LEU MD1 1 114 TRP HE3 . . 3.780 2.957 2.738 3.191 . 0 0 "[ . 1 . 2]" 1
402 1 23 LEU MD2 1 41 ILE HA . . 4.700 3.801 3.643 3.953 . 0 0 "[ . 1 . 2]" 1
403 1 23 LEU MD2 1 41 ILE MG . . 3.980 2.951 2.737 3.220 . 0 0 "[ . 1 . 2]" 1
404 1 23 LEU MD2 1 44 LEU H . . 4.530 4.467 4.316 4.538 0.008 18 0 "[ . 1 . 2]" 1
405 1 23 LEU MD2 1 44 LEU HA . . 4.470 4.308 3.954 4.481 0.011 2 0 "[ . 1 . 2]" 1
406 1 23 LEU MD2 1 44 LEU HB2 . . 3.620 2.982 2.704 3.492 . 0 0 "[ . 1 . 2]" 1
407 1 23 LEU MD2 1 44 LEU HB3 . . 3.850 2.249 2.113 2.471 . 0 0 "[ . 1 . 2]" 1
408 1 23 LEU MD2 1 44 LEU MD2 . . 3.800 3.788 3.716 3.816 0.016 14 0 "[ . 1 . 2]" 1
409 1 23 LEU MD2 1 45 MET H . . 4.040 3.090 2.799 3.369 . 0 0 "[ . 1 . 2]" 1
410 1 23 LEU MD2 1 45 MET HA . . 3.310 2.454 1.871 2.810 . 0 0 "[ . 1 . 2]" 1
411 1 23 LEU MD2 1 45 MET HB2 . . 4.350 4.103 3.788 4.303 . 0 0 "[ . 1 . 2]" 1
412 1 23 LEU MD2 1 45 MET HB3 . . 4.800 4.362 3.588 4.680 . 0 0 "[ . 1 . 2]" 1
413 1 23 LEU MD2 1 45 MET ME . . 3.580 3.076 2.222 3.587 0.007 1 0 "[ . 1 . 2]" 1
414 1 23 LEU MD2 1 45 MET HG2 . . 3.540 2.340 1.848 2.560 . 0 0 "[ . 1 . 2]" 1
415 1 23 LEU MD2 1 45 MET HG3 . . 3.710 3.167 2.258 3.434 . 0 0 "[ . 1 . 2]" 1
416 1 23 LEU MD2 1 53 TRP HD1 . . 4.710 4.715 4.684 4.732 0.022 10 0 "[ . 1 . 2]" 1
417 1 23 LEU MD2 1 53 TRP HE1 . . 4.290 3.313 3.174 3.380 . 0 0 "[ . 1 . 2]" 1
418 1 23 LEU MD2 1 53 TRP HE3 . . 4.600 4.555 4.331 4.619 0.019 2 0 "[ . 1 . 2]" 1
419 1 23 LEU MD2 1 53 TRP HH2 . . 4.220 2.972 2.549 3.157 . 0 0 "[ . 1 . 2]" 1
420 1 23 LEU MD2 1 53 TRP HZ2 . . 3.600 2.335 2.192 2.417 . 0 0 "[ . 1 . 2]" 1
421 1 23 LEU MD2 1 53 TRP HZ3 . . 4.660 3.982 3.577 4.121 . 0 0 "[ . 1 . 2]" 1
422 1 23 LEU MD2 1 112 VAL HB . . 3.960 3.586 3.436 3.889 . 0 0 "[ . 1 . 2]" 1
423 1 23 LEU MD2 1 112 VAL MG1 . . 2.970 2.100 1.895 2.456 . 0 0 "[ . 1 . 2]" 1
424 1 23 LEU MD2 1 114 TRP HB2 . . 4.560 4.322 4.034 4.537 . 0 0 "[ . 1 . 2]" 1
425 1 23 LEU HG 1 53 TRP HD1 . . 4.610 3.897 3.804 4.055 . 0 0 "[ . 1 . 2]" 1
426 1 23 LEU HG 1 53 TRP HE1 . . 4.380 3.469 3.378 3.656 . 0 0 "[ . 1 . 2]" 1
427 1 23 LEU HG 1 53 TRP HE3 . . 4.830 3.793 3.545 3.966 . 0 0 "[ . 1 . 2]" 1
428 1 23 LEU HG 1 53 TRP HZ2 . . 4.870 3.597 3.527 3.688 . 0 0 "[ . 1 . 2]" 1
429 1 24 GLY H 1 25 MET H . . 4.730 4.312 4.206 4.403 . 0 0 "[ . 1 . 2]" 1
430 1 24 GLY H 1 44 LEU MD1 . . 4.350 2.848 2.508 3.275 . 0 0 "[ . 1 . 2]" 1
431 1 24 GLY H 1 44 LEU MD2 . . 4.780 4.045 3.815 4.350 . 0 0 "[ . 1 . 2]" 1
432 1 24 GLY H 1 112 VAL H . . 4.090 3.286 2.885 3.630 . 0 0 "[ . 1 . 2]" 1
433 1 24 GLY H 1 112 VAL HB . . 4.740 3.224 3.043 3.450 . 0 0 "[ . 1 . 2]" 1
434 1 24 GLY H 1 112 VAL MG1 . . 4.200 4.215 4.204 4.224 0.024 14 0 "[ . 1 . 2]" 1
435 1 24 GLY HA2 1 25 MET H . . 3.420 2.498 2.363 2.696 . 0 0 "[ . 1 . 2]" 1
436 1 24 GLY HA2 1 44 LEU MD1 . . 4.980 3.670 3.382 4.174 . 0 0 "[ . 1 . 2]" 1
437 1 24 GLY HA2 1 44 LEU MD2 . . 4.280 3.880 3.515 4.224 . 0 0 "[ . 1 . 2]" 1
438 1 24 GLY HA3 1 25 MET H . . 3.210 2.757 2.546 2.918 . 0 0 "[ . 1 . 2]" 1
439 1 24 GLY HA3 1 44 LEU MD1 . . 4.160 2.649 2.330 3.301 . 0 0 "[ . 1 . 2]" 1
440 1 24 GLY HA3 1 44 LEU MD2 . . 4.550 2.398 2.017 2.749 . 0 0 "[ . 1 . 2]" 1
441 1 25 MET H 1 25 MET HB2 . . 3.940 2.569 2.398 2.765 . 0 0 "[ . 1 . 2]" 1
442 1 25 MET H 1 25 MET HB3 . . 3.690 2.621 2.470 2.788 . 0 0 "[ . 1 . 2]" 1
443 1 25 MET H 1 25 MET ME . . 4.520 4.337 4.070 4.521 0.001 9 0 "[ . 1 . 2]" 1
444 1 25 MET H 1 25 MET HG2 . . 4.560 4.453 4.376 4.540 . 0 0 "[ . 1 . 2]" 1
445 1 25 MET H 1 25 MET HG3 . . 4.630 4.563 4.360 4.666 0.036 5 0 "[ . 1 . 2]" 1
446 1 25 MET H 1 26 LEU H . . 4.850 4.417 4.168 4.572 . 0 0 "[ . 1 . 2]" 1
447 1 25 MET H 1 44 LEU MD1 . . 4.460 3.771 3.220 4.131 . 0 0 "[ . 1 . 2]" 1
448 1 25 MET H 1 44 LEU MD2 . . 4.370 3.932 3.300 4.365 . 0 0 "[ . 1 . 2]" 1
449 1 25 MET HA 1 25 MET ME . . 4.580 4.245 3.989 4.480 . 0 0 "[ . 1 . 2]" 1
450 1 25 MET HA 1 25 MET HG2 . . 3.860 2.553 2.300 2.756 . 0 0 "[ . 1 . 2]" 1
451 1 25 MET HA 1 25 MET HG3 . . 4.280 3.019 2.549 3.624 . 0 0 "[ . 1 . 2]" 1
452 1 25 MET HA 1 26 LEU H . . 3.090 2.224 2.203 2.267 . 0 0 "[ . 1 . 2]" 1
453 1 25 MET HA 1 26 LEU HB3 . . 5.120 4.774 4.668 5.041 . 0 0 "[ . 1 . 2]" 1
454 1 25 MET HA 1 44 LEU MD1 . . 4.120 3.387 2.757 3.684 . 0 0 "[ . 1 . 2]" 1
455 1 25 MET HA 1 111 HIS HA . . 3.520 2.484 2.163 2.654 . 0 0 "[ . 1 . 2]" 1
456 1 25 MET HA 1 112 VAL H . . 4.400 3.389 3.226 3.567 . 0 0 "[ . 1 . 2]" 1
457 1 25 MET HA 1 112 VAL MG2 . . 4.310 4.225 3.842 4.323 0.013 3 0 "[ . 1 . 2]" 1
458 1 25 MET HB2 1 25 MET ME . . 3.950 3.281 3.089 3.591 . 0 0 "[ . 1 . 2]" 1
459 1 25 MET HB2 1 26 LEU H . . 4.580 4.481 4.291 4.615 0.035 17 0 "[ . 1 . 2]" 1
460 1 25 MET HB2 1 111 HIS HE1 . . 4.100 3.280 2.838 3.560 . 0 0 "[ . 1 . 2]" 1
461 1 25 MET HB3 1 25 MET ME . . 3.910 2.179 1.966 2.447 . 0 0 "[ . 1 . 2]" 1
462 1 25 MET HB3 1 26 LEU H . . 4.580 4.192 3.982 4.433 . 0 0 "[ . 1 . 2]" 1
463 1 25 MET HB3 1 111 HIS HE1 . . 4.710 4.477 3.901 4.715 0.005 2 0 "[ . 1 . 2]" 1
464 1 25 MET ME 1 26 LEU H . . 4.630 4.469 4.061 4.629 . 0 0 "[ . 1 . 2]" 1
465 1 25 MET ME 1 27 PRO HA . . 4.780 4.426 4.168 4.730 . 0 0 "[ . 1 . 2]" 1
466 1 25 MET ME 1 27 PRO HD3 . . 3.920 3.624 3.227 3.921 0.001 11 0 "[ . 1 . 2]" 1
467 1 25 MET ME 1 109 GLU HA . . 4.710 3.979 3.688 4.329 . 0 0 "[ . 1 . 2]" 1
468 1 25 MET ME 1 110 CYS H . . 4.630 4.548 4.332 4.639 0.009 9 0 "[ . 1 . 2]" 1
469 1 25 MET ME 1 111 HIS HE1 . . 4.430 4.291 4.049 4.438 0.008 18 0 "[ . 1 . 2]" 1
470 1 25 MET HG2 1 26 LEU H . . 3.870 3.049 2.645 3.336 . 0 0 "[ . 1 . 2]" 1
471 1 25 MET HG2 1 109 GLU HB3 . . 4.300 2.325 2.000 2.643 . 0 0 "[ . 1 . 2]" 1
472 1 25 MET HG2 1 110 CYS H . . 4.610 3.202 2.879 3.605 . 0 0 "[ . 1 . 2]" 1
473 1 25 MET HG2 1 111 HIS HE1 . . 4.390 4.197 3.518 4.400 0.010 17 0 "[ . 1 . 2]" 1
474 1 25 MET HG3 1 26 LEU H . . 4.360 4.149 3.720 4.373 0.013 9 0 "[ . 1 . 2]" 1
475 1 25 MET HG3 1 110 CYS H . . 4.990 4.282 3.934 4.711 . 0 0 "[ . 1 . 2]" 1
476 1 25 MET HG3 1 111 HIS HE1 . . 3.960 2.975 2.692 3.256 . 0 0 "[ . 1 . 2]" 1
477 1 26 LEU H 1 26 LEU HB2 . . 3.840 2.861 2.506 3.073 . 0 0 "[ . 1 . 2]" 1
478 1 26 LEU H 1 26 LEU HB3 . . 3.800 2.752 2.616 2.905 . 0 0 "[ . 1 . 2]" 1
479 1 26 LEU H 1 26 LEU MD1 . . 4.640 4.484 4.199 4.629 . 0 0 "[ . 1 . 2]" 1
480 1 26 LEU H 1 26 LEU MD2 . . 4.690 4.223 4.132 4.350 . 0 0 "[ . 1 . 2]" 1
481 1 26 LEU H 1 26 LEU HG . . 4.840 4.551 4.427 4.609 . 0 0 "[ . 1 . 2]" 1
482 1 26 LEU H 1 44 LEU MD1 . . 4.230 3.194 2.564 3.957 . 0 0 "[ . 1 . 2]" 1
483 1 26 LEU H 1 110 CYS H . . 3.970 3.063 2.636 3.448 . 0 0 "[ . 1 . 2]" 1
484 1 26 LEU H 1 110 CYS HB2 . . 4.960 4.793 4.482 4.967 0.007 3 0 "[ . 1 . 2]" 1
485 1 26 LEU H 1 110 CYS HB3 . . 4.490 3.381 3.213 3.548 . 0 0 "[ . 1 . 2]" 1
486 1 26 LEU H 1 112 VAL MG2 . . 4.420 3.773 3.481 4.034 . 0 0 "[ . 1 . 2]" 1
487 1 26 LEU HA 1 26 LEU MD1 . . 3.420 3.348 3.277 3.406 . 0 0 "[ . 1 . 2]" 1
488 1 26 LEU HA 1 26 LEU MD2 . . 3.450 3.392 3.220 3.436 . 0 0 "[ . 1 . 2]" 1
489 1 26 LEU HA 1 27 PRO HD2 . . 3.220 2.371 2.349 2.526 . 0 0 "[ . 1 . 2]" 1
490 1 26 LEU HA 1 27 PRO HD3 . . 3.060 1.918 1.912 1.921 . 0 0 "[ . 1 . 2]" 1
491 1 26 LEU HA 1 27 PRO HG2 . . 4.340 4.409 4.396 4.502 0.162 19 0 "[ . 1 . 2]" 1
492 1 26 LEU HB2 1 26 LEU MD2 . . 3.430 3.104 3.075 3.121 . 0 0 "[ . 1 . 2]" 1
493 1 26 LEU HB2 1 27 PRO HD2 . . 4.130 4.202 4.150 4.255 0.125 18 0 "[ . 1 . 2]" 1
494 1 26 LEU HB2 1 27 PRO HD3 . . 4.480 4.418 4.391 4.457 . 0 0 "[ . 1 . 2]" 1
495 1 26 LEU HB2 1 40 ALA HA . . 5.010 4.861 4.519 5.007 . 0 0 "[ . 1 . 2]" 1
496 1 26 LEU HB2 1 40 ALA MB . . 4.100 3.849 3.594 4.104 0.004 15 0 "[ . 1 . 2]" 1
497 1 26 LEU HB2 1 44 LEU MD1 . . 4.400 2.379 1.999 2.694 . 0 0 "[ . 1 . 2]" 1
498 1 26 LEU HB2 1 44 LEU MD2 . . 4.490 3.434 2.994 3.805 . 0 0 "[ . 1 . 2]" 1
499 1 26 LEU HB2 1 110 CYS H . . 5.500 5.401 5.204 5.510 0.010 16 0 "[ . 1 . 2]" 1
500 1 26 LEU HB3 1 26 LEU MD1 . . 3.250 2.808 2.741 2.870 . 0 0 "[ . 1 . 2]" 1
501 1 26 LEU HB3 1 26 LEU MD2 . . 3.330 2.173 2.064 2.204 . 0 0 "[ . 1 . 2]" 1
502 1 26 LEU HB3 1 27 PRO HD2 . . 4.570 4.160 3.631 4.260 . 0 0 "[ . 1 . 2]" 1
503 1 26 LEU HB3 1 27 PRO HD3 . . 4.760 4.635 4.332 4.690 . 0 0 "[ . 1 . 2]" 1
504 1 26 LEU HB3 1 40 ALA HA . . 5.150 3.983 3.708 4.149 . 0 0 "[ . 1 . 2]" 1
505 1 26 LEU HB3 1 40 ALA MB . . 3.940 2.591 2.293 2.848 . 0 0 "[ . 1 . 2]" 1
506 1 26 LEU HB3 1 44 LEU MD1 . . 3.770 3.261 2.706 3.682 . 0 0 "[ . 1 . 2]" 1
507 1 26 LEU HB3 1 110 CYS H . . 5.150 4.385 4.209 4.568 . 0 0 "[ . 1 . 2]" 1
508 1 26 LEU HB3 1 110 CYS HB2 . . 5.120 4.778 4.435 4.961 . 0 0 "[ . 1 . 2]" 1
509 1 26 LEU HB3 1 110 CYS HB3 . . 4.710 3.270 3.045 3.645 . 0 0 "[ . 1 . 2]" 1
510 1 26 LEU HB3 1 112 VAL MG2 . . 3.990 3.729 3.564 4.006 0.016 11 0 "[ . 1 . 2]" 1
511 1 26 LEU MD1 1 27 PRO HD2 . . 3.700 3.659 3.631 3.705 0.005 17 0 "[ . 1 . 2]" 1
512 1 26 LEU MD1 1 40 ALA HA . . 3.400 3.039 2.793 3.406 0.006 19 0 "[ . 1 . 2]" 1
513 1 26 LEU MD1 1 43 ASN H . . 4.640 4.264 4.055 4.498 . 0 0 "[ . 1 . 2]" 1
514 1 26 LEU MD1 1 43 ASN HB2 . . 3.580 2.964 2.672 3.310 . 0 0 "[ . 1 . 2]" 1
515 1 26 LEU MD1 1 43 ASN HB3 . . 3.500 1.978 1.877 2.161 . 0 0 "[ . 1 . 2]" 1
516 1 26 LEU MD1 1 43 ASN HD21 . . 4.130 2.517 1.873 3.504 . 0 0 "[ . 1 . 2]" 1
517 1 26 LEU MD1 1 43 ASN HD22 . . 4.200 3.205 2.593 3.780 . 0 0 "[ . 1 . 2]" 1
518 1 26 LEU MD1 1 44 LEU H . . 3.980 3.068 2.787 3.280 . 0 0 "[ . 1 . 2]" 1
519 1 26 LEU MD1 1 44 LEU HA . . 4.350 3.626 3.279 3.880 . 0 0 "[ . 1 . 2]" 1
520 1 26 LEU MD2 1 27 PRO HD2 . . 3.780 2.889 1.984 3.042 . 0 0 "[ . 1 . 2]" 1
521 1 26 LEU MD2 1 27 PRO HD3 . . 4.120 4.047 3.402 4.141 0.021 14 0 "[ . 1 . 2]" 1
522 1 26 LEU MD2 1 27 PRO HG2 . . 4.840 4.182 3.311 4.330 . 0 0 "[ . 1 . 2]" 1
523 1 26 LEU MD2 1 40 ALA HA . . 3.320 2.167 1.976 2.847 . 0 0 "[ . 1 . 2]" 1
524 1 26 LEU MD2 1 40 ALA MB . . 3.360 2.243 1.910 2.947 . 0 0 "[ . 1 . 2]" 1
525 1 26 LEU MD2 1 43 ASN HB2 . . 3.810 3.601 3.433 3.827 0.017 1 0 "[ . 1 . 2]" 1
526 1 26 LEU MD2 1 43 ASN HB3 . . 3.990 3.523 3.187 3.785 . 0 0 "[ . 1 . 2]" 1
527 1 26 LEU MD2 1 43 ASN HD21 . . 4.470 2.987 1.920 3.956 . 0 0 "[ . 1 . 2]" 1
528 1 26 LEU MD2 1 43 ASN HD22 . . 4.780 3.979 3.074 4.663 . 0 0 "[ . 1 . 2]" 1
529 1 26 LEU MD2 1 44 LEU H . . 4.670 4.681 4.670 4.703 0.033 19 0 "[ . 1 . 2]" 1
530 1 26 LEU MD2 1 110 CYS H . . 5.070 4.735 4.434 5.063 . 0 0 "[ . 1 . 2]" 1
531 1 26 LEU HG 1 27 PRO HD2 . . 4.490 1.982 1.970 1.992 . 0 0 "[ . 1 . 2]" 1
532 1 26 LEU HG 1 27 PRO HD3 . . 4.850 3.119 2.730 3.195 . 0 0 "[ . 1 . 2]" 1
533 1 27 PRO HA 1 28 VAL H . . 3.120 2.313 2.248 2.448 . 0 0 "[ . 1 . 2]" 1
534 1 27 PRO HA 1 28 VAL MG1 . . 4.580 3.344 3.092 3.572 . 0 0 "[ . 1 . 2]" 1
535 1 27 PRO HA 1 28 VAL MG2 . . 4.330 3.611 3.416 3.820 . 0 0 "[ . 1 . 2]" 1
536 1 27 PRO HA 1 109 GLU HA . . 3.330 2.556 2.160 2.851 . 0 0 "[ . 1 . 2]" 1
537 1 27 PRO HA 1 109 GLU HB3 . . 4.860 4.662 4.245 4.851 . 0 0 "[ . 1 . 2]" 1
538 1 27 PRO HA 1 110 CYS H . . 4.030 3.260 3.081 3.499 . 0 0 "[ . 1 . 2]" 1
539 1 27 PRO HB2 1 28 VAL H . . 4.100 3.044 2.680 3.237 . 0 0 "[ . 1 . 2]" 1
540 1 27 PRO HB3 1 28 VAL H . . 4.250 3.580 3.382 3.693 . 0 0 "[ . 1 . 2]" 1
541 1 27 PRO HG2 1 28 VAL H . . 5.240 4.974 4.700 5.109 . 0 0 "[ . 1 . 2]" 1
542 1 27 PRO HG3 1 28 VAL H . . 5.500 5.414 5.196 5.524 0.024 2 0 "[ . 1 . 2]" 1
543 1 28 VAL H 1 28 VAL MG1 . . 3.930 3.024 2.888 3.173 . 0 0 "[ . 1 . 2]" 1
544 1 28 VAL H 1 28 VAL MG2 . . 3.300 2.299 2.069 2.501 . 0 0 "[ . 1 . 2]" 1
545 1 28 VAL H 1 108 PHE H . . 4.740 3.788 3.430 4.482 . 0 0 "[ . 1 . 2]" 1
546 1 28 VAL H 1 108 PHE HB2 . . 4.770 3.209 2.888 3.562 . 0 0 "[ . 1 . 2]" 1
547 1 28 VAL H 1 108 PHE HB3 . . 4.970 4.546 4.182 4.978 0.008 11 0 "[ . 1 . 2]" 1
548 1 28 VAL H 1 109 GLU HA . . 4.010 3.791 3.258 4.022 0.012 18 0 "[ . 1 . 2]" 1
549 1 28 VAL H 1 110 CYS H . . 4.840 4.648 4.442 4.846 0.006 19 0 "[ . 1 . 2]" 1
550 1 28 VAL HB 1 29 ASP H . . 3.460 2.728 2.108 3.318 . 0 0 "[ . 1 . 2]" 1
551 1 28 VAL HB 1 30 ARG H . . 3.760 3.315 2.949 3.622 . 0 0 "[ . 1 . 2]" 1
552 1 28 VAL HB 1 36 THR MG . . 3.170 2.098 1.864 2.334 . 0 0 "[ . 1 . 2]" 1
553 1 28 VAL HB 1 100 ILE MD . . 4.500 3.790 3.325 4.122 . 0 0 "[ . 1 . 2]" 1
554 1 28 VAL MG1 1 29 ASP H . . 4.820 3.886 3.652 4.151 . 0 0 "[ . 1 . 2]" 1
555 1 28 VAL MG1 1 36 THR MG . . 3.200 2.313 1.955 2.715 . 0 0 "[ . 1 . 2]" 1
556 1 28 VAL MG1 1 40 ALA H . . 4.680 4.277 4.056 4.603 . 0 0 "[ . 1 . 2]" 1
557 1 28 VAL MG1 1 40 ALA MB . . 3.120 2.460 2.248 2.740 . 0 0 "[ . 1 . 2]" 1
558 1 28 VAL MG1 1 110 CYS H . . 4.040 3.593 3.142 3.993 . 0 0 "[ . 1 . 2]" 1
559 1 28 VAL MG1 1 110 CYS HB2 . . 3.350 2.447 2.036 2.848 . 0 0 "[ . 1 . 2]" 1
560 1 28 VAL MG1 1 110 CYS HB3 . . 3.460 2.831 2.507 3.161 . 0 0 "[ . 1 . 2]" 1
561 1 28 VAL MG2 1 29 ASP H . . 4.140 3.544 2.950 3.874 . 0 0 "[ . 1 . 2]" 1
562 1 28 VAL MG2 1 30 ARG H . . 3.620 3.619 3.581 3.637 0.017 9 0 "[ . 1 . 2]" 1
563 1 28 VAL MG2 1 36 THR MG . . 3.300 2.919 2.413 3.304 0.004 19 0 "[ . 1 . 2]" 1
564 1 28 VAL MG2 1 100 ILE HA . . 4.780 3.965 3.712 4.146 . 0 0 "[ . 1 . 2]" 1
565 1 28 VAL MG2 1 100 ILE HB . . 4.580 4.219 3.917 4.528 . 0 0 "[ . 1 . 2]" 1
566 1 28 VAL MG2 1 100 ILE MD . . 3.000 2.207 1.920 2.550 . 0 0 "[ . 1 . 2]" 1
567 1 28 VAL MG2 1 100 ILE HG12 . . 3.910 2.635 2.128 2.906 . 0 0 "[ . 1 . 2]" 1
568 1 28 VAL MG2 1 100 ILE HG13 . . 4.230 3.999 3.596 4.205 . 0 0 "[ . 1 . 2]" 1
569 1 28 VAL MG2 1 100 ILE MG . . 3.150 2.073 1.843 2.393 . 0 0 "[ . 1 . 2]" 1
570 1 28 VAL MG2 1 108 PHE H . . 4.720 4.278 3.843 4.704 . 0 0 "[ . 1 . 2]" 1
571 1 28 VAL MG2 1 108 PHE HA . . 4.900 4.581 4.177 4.845 . 0 0 "[ . 1 . 2]" 1
572 1 28 VAL MG2 1 108 PHE HB2 . . 3.460 2.392 1.920 2.769 . 0 0 "[ . 1 . 2]" 1
573 1 28 VAL MG2 1 108 PHE HB3 . . 3.410 2.991 2.617 3.316 . 0 0 "[ . 1 . 2]" 1
574 1 28 VAL MG2 1 108 PHE QD . . 4.380 3.227 2.894 3.510 . 0 0 "[ . 1 . 2]" 1
575 1 28 VAL MG2 1 109 GLU HA . . 4.380 3.882 3.505 4.216 . 0 0 "[ . 1 . 2]" 1
576 1 28 VAL MG2 1 110 CYS H . . 4.040 4.013 3.901 4.061 0.021 3 0 "[ . 1 . 2]" 1
577 1 28 VAL MG2 1 110 CYS HA . . 4.630 4.462 4.314 4.585 . 0 0 "[ . 1 . 2]" 1
578 1 28 VAL MG2 1 110 CYS HB2 . . 3.700 2.822 2.628 3.063 . 0 0 "[ . 1 . 2]" 1
579 1 29 ASP H 1 29 ASP HB2 . . 3.490 2.198 2.021 2.927 . 0 0 "[ . 1 . 2]" 1
580 1 29 ASP H 1 30 ARG H . . 3.370 2.414 2.004 2.701 . 0 0 "[ . 1 . 2]" 1
581 1 29 ASP H 1 36 THR MG . . 4.120 3.293 2.733 3.809 . 0 0 "[ . 1 . 2]" 1
582 1 29 ASP HB2 1 30 ARG H . . 4.030 2.918 2.298 4.007 . 0 0 "[ . 1 . 2]" 1
583 1 30 ARG H 1 30 ARG HB2 . . 3.750 2.139 2.050 2.294 . 0 0 "[ . 1 . 2]" 1
584 1 30 ARG H 1 30 ARG HB3 . . 4.150 3.335 3.109 3.545 . 0 0 "[ . 1 . 2]" 1
585 1 30 ARG H 1 30 ARG QD . . 4.670 4.440 4.355 4.572 . 0 0 "[ . 1 . 2]" 1
586 1 30 ARG H 1 30 ARG HG2 . . 3.850 3.639 3.333 4.154 0.304 9 0 "[ . 1 . 2]" 1
587 1 30 ARG H 1 36 THR MG . . 3.680 2.998 2.515 3.352 . 0 0 "[ . 1 . 2]" 1
588 1 30 ARG HA 1 30 ARG QD . . 3.990 3.036 2.446 3.752 . 0 0 "[ . 1 . 2]" 1
589 1 30 ARG HA 1 30 ARG HG2 . . 3.800 2.263 2.083 2.394 . 0 0 "[ . 1 . 2]" 1
590 1 30 ARG HA 1 31 PRO HD2 . . 3.290 2.381 2.282 2.607 . 0 0 "[ . 1 . 2]" 1
591 1 30 ARG HA 1 31 PRO HD3 . . 3.260 1.980 1.948 2.017 . 0 0 "[ . 1 . 2]" 1
592 1 30 ARG HA 1 31 PRO HG3 . . 4.390 4.237 4.219 4.257 . 0 0 "[ . 1 . 2]" 1
593 1 30 ARG HA 1 32 VAL MG2 . . 5.090 4.602 4.242 5.063 . 0 0 "[ . 1 . 2]" 1
594 1 30 ARG HA 1 108 PHE QD . . 4.900 4.486 4.027 4.897 . 0 0 "[ . 1 . 2]" 1
595 1 30 ARG HA 1 108 PHE QE . . 4.880 4.313 3.753 4.822 . 0 0 "[ . 1 . 2]" 1
596 1 30 ARG HB2 1 30 ARG QD . . 3.380 3.061 2.615 3.362 . 0 0 "[ . 1 . 2]" 1
597 1 30 ARG HB2 1 32 VAL H . . 4.360 4.154 3.605 4.361 0.001 14 0 "[ . 1 . 2]" 1
598 1 30 ARG HB2 1 36 THR MG . . 3.590 3.049 2.464 3.573 . 0 0 "[ . 1 . 2]" 1
599 1 30 ARG HB3 1 31 PRO HD2 . . 4.080 3.468 2.618 3.917 . 0 0 "[ . 1 . 2]" 1
600 1 30 ARG HB3 1 32 VAL H . . 3.950 2.601 2.261 2.769 . 0 0 "[ . 1 . 2]" 1
601 1 30 ARG HB3 1 36 THR MG . . 4.460 3.804 3.277 4.453 . 0 0 "[ . 1 . 2]" 1
602 1 30 ARG QD 1 32 VAL H . . 4.590 2.702 1.930 3.991 . 0 0 "[ . 1 . 2]" 1
603 1 30 ARG QD 1 32 VAL MG2 . . 4.220 2.598 1.930 3.340 . 0 0 "[ . 1 . 2]" 1
604 1 30 ARG HG2 1 31 PRO HD2 . . 4.230 3.521 2.077 3.811 . 0 0 "[ . 1 . 2]" 1
605 1 30 ARG HG2 1 32 VAL H . . 4.540 4.487 3.303 4.579 0.039 2 0 "[ . 1 . 2]" 1
606 1 31 PRO HA 1 100 ILE MD . . 4.020 2.640 2.056 3.306 . 0 0 "[ . 1 . 2]" 1
607 1 31 PRO HA 1 100 ILE MG . . 3.230 2.176 1.968 2.476 . 0 0 "[ . 1 . 2]" 1
608 1 31 PRO HA 1 108 PHE HB2 . . 5.130 4.020 3.492 4.721 . 0 0 "[ . 1 . 2]" 1
609 1 31 PRO HA 1 108 PHE HB3 . . 4.440 3.539 3.176 4.209 . 0 0 "[ . 1 . 2]" 1
610 1 31 PRO HA 1 108 PHE QD . . 4.410 3.647 3.306 4.278 . 0 0 "[ . 1 . 2]" 1
611 1 31 PRO HB2 1 32 VAL MG1 . . 4.270 2.766 2.537 3.055 . 0 0 "[ . 1 . 2]" 1
612 1 31 PRO HB2 1 86 SER QB . . 4.040 2.468 1.987 3.289 . 0 0 "[ . 1 . 2]" 1
613 1 31 PRO HB2 1 108 PHE QE . . 4.890 4.260 3.815 4.747 . 0 0 "[ . 1 . 2]" 1
614 1 31 PRO HB3 1 86 SER QB . . 4.600 3.302 2.623 3.861 . 0 0 "[ . 1 . 2]" 1
615 1 31 PRO HB3 1 100 ILE MG . . 4.570 3.325 2.801 4.039 . 0 0 "[ . 1 . 2]" 1
616 1 31 PRO HB3 1 108 PHE QD . . 4.740 3.291 2.991 3.625 . 0 0 "[ . 1 . 2]" 1
617 1 31 PRO HB3 1 108 PHE QE . . 4.620 3.131 2.824 3.655 . 0 0 "[ . 1 . 2]" 1
618 1 31 PRO HD2 1 32 VAL H . . 4.340 2.494 2.290 2.656 . 0 0 "[ . 1 . 2]" 1
619 1 31 PRO HD2 1 32 VAL MG2 . . 4.250 3.016 2.733 3.289 . 0 0 "[ . 1 . 2]" 1
620 1 31 PRO HD2 1 108 PHE QE . . 4.700 4.457 4.014 4.710 0.010 18 0 "[ . 1 . 2]" 1
621 1 31 PRO HD3 1 32 VAL H . . 4.780 3.733 3.658 3.802 . 0 0 "[ . 1 . 2]" 1
622 1 31 PRO HD3 1 32 VAL MG2 . . 4.800 4.509 4.296 4.756 . 0 0 "[ . 1 . 2]" 1
623 1 31 PRO HD3 1 108 PHE QE . . 4.040 2.881 2.379 3.187 . 0 0 "[ . 1 . 2]" 1
624 1 31 PRO HD3 1 108 PHE HZ . . 4.550 4.406 3.924 4.564 0.014 11 0 "[ . 1 . 2]" 1
625 1 31 PRO HG2 1 32 VAL H . . 4.000 3.551 3.137 3.792 . 0 0 "[ . 1 . 2]" 1
626 1 31 PRO HG2 1 32 VAL MG2 . . 4.100 3.242 2.941 3.572 . 0 0 "[ . 1 . 2]" 1
627 1 31 PRO HG3 1 108 PHE QD . . 4.840 4.172 3.777 4.741 . 0 0 "[ . 1 . 2]" 1
628 1 31 PRO HG3 1 108 PHE QE . . 4.610 2.791 2.233 3.259 . 0 0 "[ . 1 . 2]" 1
629 1 31 PRO HG3 1 108 PHE HZ . . 4.910 2.840 2.568 3.332 . 0 0 "[ . 1 . 2]" 1
630 1 32 VAL H 1 32 VAL MG1 . . 3.910 3.051 2.745 3.265 . 0 0 "[ . 1 . 2]" 1
631 1 32 VAL H 1 32 VAL MG2 . . 3.350 2.306 2.092 2.468 . 0 0 "[ . 1 . 2]" 1
632 1 32 VAL H 1 100 ILE MD . . 4.760 3.581 3.268 3.834 . 0 0 "[ . 1 . 2]" 1
633 1 32 VAL H 1 100 ILE MG . . 5.110 4.667 4.367 4.993 . 0 0 "[ . 1 . 2]" 1
634 1 32 VAL HA 1 32 VAL MG1 . . 3.230 2.325 2.176 2.495 . 0 0 "[ . 1 . 2]" 1
635 1 32 VAL HA 1 33 GLY H . . 3.530 2.482 2.256 2.766 . 0 0 "[ . 1 . 2]" 1
636 1 32 VAL HA 1 87 PHE HB3 . . 3.900 2.536 2.185 3.421 . 0 0 "[ . 1 . 2]" 1
637 1 32 VAL HA 1 87 PHE QD . . 4.170 3.348 2.952 3.619 . 0 0 "[ . 1 . 2]" 1
638 1 32 VAL HA 1 100 ILE MD . . 3.960 2.699 2.058 3.416 . 0 0 "[ . 1 . 2]" 1
639 1 32 VAL HB 1 33 GLY H . . 3.570 2.526 1.948 3.066 . 0 0 "[ . 1 . 2]" 1
640 1 32 VAL HB 1 33 GLY HA2 . . 4.720 4.191 3.950 4.326 . 0 0 "[ . 1 . 2]" 1
641 1 32 VAL HB 1 33 GLY HA3 . . 4.840 4.651 4.406 4.843 0.003 19 0 "[ . 1 . 2]" 1
642 1 32 VAL HB 1 87 PHE HB2 . . 4.290 3.511 2.957 4.295 0.005 19 0 "[ . 1 . 2]" 1
643 1 32 VAL HB 1 87 PHE QD . . 4.190 3.260 3.075 3.555 . 0 0 "[ . 1 . 2]" 1
644 1 32 VAL HB 1 87 PHE QE . . 4.430 4.092 3.754 4.368 . 0 0 "[ . 1 . 2]" 1
645 1 32 VAL MG1 1 33 GLY H . . 3.940 3.781 3.520 3.925 . 0 0 "[ . 1 . 2]" 1
646 1 32 VAL MG1 1 86 SER QB . . 4.410 2.921 2.509 3.893 . 0 0 "[ . 1 . 2]" 1
647 1 32 VAL MG1 1 87 PHE HA . . 4.410 4.071 3.772 4.320 . 0 0 "[ . 1 . 2]" 1
648 1 32 VAL MG1 1 87 PHE HB2 . . 3.340 1.965 1.815 2.124 . 0 0 "[ . 1 . 2]" 1
649 1 32 VAL MG1 1 87 PHE HB3 . . 3.900 3.132 2.689 3.362 . 0 0 "[ . 1 . 2]" 1
650 1 32 VAL MG1 1 87 PHE QD . . 3.570 2.716 2.177 3.013 . 0 0 "[ . 1 . 2]" 1
651 1 32 VAL MG1 1 87 PHE QE . . 4.490 4.375 3.727 4.501 0.011 8 0 "[ . 1 . 2]" 1
652 1 32 VAL MG2 1 33 GLY H . . 4.050 3.455 2.862 3.900 . 0 0 "[ . 1 . 2]" 1
653 1 32 VAL MG2 1 33 GLY HA2 . . 4.530 4.013 3.684 4.358 . 0 0 "[ . 1 . 2]" 1
654 1 32 VAL MG2 1 33 GLY HA3 . . 4.950 3.897 3.478 4.242 . 0 0 "[ . 1 . 2]" 1
655 1 32 VAL MG2 1 87 PHE QD . . 4.540 4.520 4.366 4.574 0.034 19 0 "[ . 1 . 2]" 1
656 1 33 GLY H 1 87 PHE QD . . 4.620 3.472 3.064 4.303 . 0 0 "[ . 1 . 2]" 1
657 1 33 GLY H 1 87 PHE QE . . 4.700 3.576 3.191 3.824 . 0 0 "[ . 1 . 2]" 1
658 1 33 GLY H 1 87 PHE HZ . . 4.850 4.126 3.756 4.466 . 0 0 "[ . 1 . 2]" 1
659 1 34 MET H 1 34 MET HG2 . . 5.070 3.167 2.350 3.623 . 0 0 "[ . 1 . 2]" 1
660 1 34 MET H 1 34 MET HG3 . . 4.650 3.262 2.750 4.030 . 0 0 "[ . 1 . 2]" 1
661 1 34 MET HA 1 34 MET ME . . 3.380 2.765 2.292 3.187 . 0 0 "[ . 1 . 2]" 1
662 1 34 MET HA 1 34 MET HG3 . . 4.130 3.482 3.216 3.738 . 0 0 "[ . 1 . 2]" 1
663 1 34 MET HA 1 37 LEU H . . 4.110 3.268 2.991 3.414 . 0 0 "[ . 1 . 2]" 1
664 1 34 MET HA 1 37 LEU HB2 . . 3.970 2.830 2.521 2.971 . 0 0 "[ . 1 . 2]" 1
665 1 34 MET HA 1 37 LEU HB3 . . 3.710 2.291 2.095 2.398 . 0 0 "[ . 1 . 2]" 1
666 1 34 MET HA 1 37 LEU MD1 . . 4.180 4.077 3.801 4.160 . 0 0 "[ . 1 . 2]" 1
667 1 34 MET HA 1 37 LEU MD2 . . 4.270 2.921 2.599 3.202 . 0 0 "[ . 1 . 2]" 1
668 1 34 MET HA 1 37 LEU HG . . 4.920 4.833 4.616 4.923 0.003 10 0 "[ . 1 . 2]" 1
669 1 34 MET HA 1 87 PHE QD . . 4.600 4.476 4.163 4.602 0.002 8 0 "[ . 1 . 2]" 1
670 1 34 MET HA 1 87 PHE QE . . 3.620 3.058 2.806 3.294 . 0 0 "[ . 1 . 2]" 1
671 1 34 MET HA 1 87 PHE HZ . . 4.700 4.641 4.446 4.706 0.006 13 0 "[ . 1 . 2]" 1
672 1 34 MET HB2 1 38 ASN HD21 . . 4.750 4.250 3.797 4.735 . 0 0 "[ . 1 . 2]" 1
673 1 34 MET HB2 1 38 ASN HD22 . . 5.060 4.468 3.901 5.060 . 0 0 "[ . 1 . 2]" 1
674 1 34 MET HB3 1 35 ASP H . . 5.030 3.407 2.606 3.711 . 0 0 "[ . 1 . 2]" 1
675 1 34 MET HB3 1 35 ASP HA . . 4.690 4.103 3.648 4.338 . 0 0 "[ . 1 . 2]" 1
676 1 34 MET HB3 1 38 ASN HD21 . . 4.840 2.881 2.357 3.389 . 0 0 "[ . 1 . 2]" 1
677 1 34 MET HB3 1 38 ASN HD22 . . 4.920 2.794 2.256 3.482 . 0 0 "[ . 1 . 2]" 1
678 1 34 MET ME 1 34 MET HG2 . . 3.360 2.330 1.976 3.354 . 0 0 "[ . 1 . 2]" 1
679 1 34 MET ME 1 34 MET HG3 . . 3.910 3.187 2.381 3.378 . 0 0 "[ . 1 . 2]" 1
680 1 34 MET ME 1 37 LEU MD1 . . 4.040 3.821 3.537 4.047 0.007 5 0 "[ . 1 . 2]" 1
681 1 34 MET ME 1 37 LEU MD2 . . 3.580 1.913 1.744 2.249 . 0 0 "[ . 1 . 2]" 1
682 1 34 MET ME 1 38 ASN H . . 4.370 4.092 3.595 4.371 0.001 19 0 "[ . 1 . 2]" 1
683 1 34 MET ME 1 38 ASN HD21 . . 3.940 3.534 2.778 3.893 . 0 0 "[ . 1 . 2]" 1
684 1 34 MET ME 1 38 ASN HD22 . . 3.640 2.655 2.081 3.397 . 0 0 "[ . 1 . 2]" 1
685 1 34 MET ME 1 87 PHE QE . . 4.820 2.868 2.067 3.866 . 0 0 "[ . 1 . 2]" 1
686 1 34 MET ME 1 87 PHE HZ . . 4.420 4.016 3.066 4.431 0.011 19 0 "[ . 1 . 2]" 1
687 1 34 MET ME 1 89 GLY H . . 5.030 4.542 4.001 5.027 . 0 0 "[ . 1 . 2]" 1
688 1 34 MET ME 1 89 GLY HA2 . . 4.330 3.520 3.072 3.958 . 0 0 "[ . 1 . 2]" 1
689 1 34 MET ME 1 89 GLY HA3 . . 3.640 2.218 1.835 2.768 . 0 0 "[ . 1 . 2]" 1
690 1 34 MET ME 1 90 VAL H . . 3.820 3.124 2.535 3.707 . 0 0 "[ . 1 . 2]" 1
691 1 34 MET HG2 1 87 PHE HZ . . 4.280 2.960 2.699 3.376 . 0 0 "[ . 1 . 2]" 1
692 1 34 MET HG3 1 87 PHE QE . . 4.480 3.738 3.049 4.471 . 0 0 "[ . 1 . 2]" 1
693 1 34 MET HG3 1 87 PHE HZ . . 3.920 3.316 2.749 4.210 0.290 8 0 "[ . 1 . 2]" 1
694 1 35 ASP H 1 36 THR H . . 4.290 3.099 3.043 3.193 . 0 0 "[ . 1 . 2]" 1
695 1 35 ASP HA 1 38 ASN H . . 4.150 3.915 3.716 4.120 . 0 0 "[ . 1 . 2]" 1
696 1 35 ASP HA 1 38 ASN HB2 . . 3.790 3.245 3.050 3.534 . 0 0 "[ . 1 . 2]" 1
697 1 35 ASP HA 1 38 ASN HD21 . . 4.230 3.077 2.371 3.577 . 0 0 "[ . 1 . 2]" 1
698 1 35 ASP HA 1 38 ASN HD22 . . 5.090 4.585 3.734 5.051 . 0 0 "[ . 1 . 2]" 1
699 1 35 ASP HA 1 39 SER H . . 4.300 3.946 3.717 4.160 . 0 0 "[ . 1 . 2]" 1
700 1 35 ASP HB2 1 36 THR H . . 4.490 2.583 2.103 3.462 . 0 0 "[ . 1 . 2]" 1
701 1 35 ASP HB3 1 36 THR H . . 4.180 2.560 1.952 3.267 . 0 0 "[ . 1 . 2]" 1
702 1 36 THR H 1 36 THR HB . . 3.470 2.228 2.135 2.339 . 0 0 "[ . 1 . 2]" 1
703 1 36 THR H 1 36 THR MG . . 4.300 3.655 3.623 3.674 . 0 0 "[ . 1 . 2]" 1
704 1 36 THR H 1 37 LEU H . . 3.650 2.814 2.630 2.920 . 0 0 "[ . 1 . 2]" 1
705 1 36 THR HA 1 36 THR MG . . 3.110 2.538 2.459 2.624 . 0 0 "[ . 1 . 2]" 1
706 1 36 THR HA 1 39 SER H . . 4.460 3.531 3.268 3.823 . 0 0 "[ . 1 . 2]" 1
707 1 36 THR HA 1 39 SER HB3 . . 4.020 2.735 2.131 3.349 . 0 0 "[ . 1 . 2]" 1
708 1 36 THR HB 1 37 LEU H . . 3.560 2.766 2.624 2.951 . 0 0 "[ . 1 . 2]" 1
709 1 36 THR HB 1 37 LEU HB2 . . 4.690 4.527 4.431 4.633 . 0 0 "[ . 1 . 2]" 1
710 1 36 THR HB 1 100 ILE MD . . 4.080 3.956 3.520 4.099 0.019 19 0 "[ . 1 . 2]" 1
711 1 36 THR MG 1 37 LEU H . . 4.130 3.327 3.054 3.646 . 0 0 "[ . 1 . 2]" 1
712 1 36 THR MG 1 37 LEU HA . . 4.200 3.437 3.242 3.632 . 0 0 "[ . 1 . 2]" 1
713 1 36 THR MG 1 100 ILE MD . . 3.170 3.021 2.845 3.168 . 0 0 "[ . 1 . 2]" 1
714 1 37 LEU H 1 37 LEU HB2 . . 3.630 2.348 2.255 2.381 . 0 0 "[ . 1 . 2]" 1
715 1 37 LEU H 1 37 LEU HB3 . . 3.810 2.528 2.489 2.638 . 0 0 "[ . 1 . 2]" 1
716 1 37 LEU H 1 37 LEU MD1 . . 3.970 3.941 3.845 3.973 0.003 15 0 "[ . 1 . 2]" 1
717 1 37 LEU H 1 37 LEU MD2 . . 4.370 4.210 4.148 4.280 . 0 0 "[ . 1 . 2]" 1
718 1 37 LEU H 1 37 LEU HG . . 4.390 4.404 4.382 4.412 0.022 2 0 "[ . 1 . 2]" 1
719 1 37 LEU H 1 38 ASN H . . 3.790 3.033 2.870 3.182 . 0 0 "[ . 1 . 2]" 1
720 1 37 LEU H 1 100 ILE MD . . 4.440 4.022 3.724 4.347 . 0 0 "[ . 1 . 2]" 1
721 1 37 LEU HA 1 37 LEU MD1 . . 3.210 2.730 2.550 2.984 . 0 0 "[ . 1 . 2]" 1
722 1 37 LEU HA 1 37 LEU MD2 . . 3.900 3.879 3.759 3.918 0.018 17 0 "[ . 1 . 2]" 1
723 1 37 LEU HA 1 37 LEU HG . . 3.610 2.676 2.511 2.770 . 0 0 "[ . 1 . 2]" 1
724 1 37 LEU HA 1 40 ALA H . . 4.310 3.653 3.222 3.862 . 0 0 "[ . 1 . 2]" 1
725 1 37 LEU HA 1 40 ALA MB . . 3.720 2.901 2.636 3.147 . 0 0 "[ . 1 . 2]" 1
726 1 37 LEU HA 1 41 ILE H . . 5.060 4.479 4.277 4.793 . 0 0 "[ . 1 . 2]" 1
727 1 37 LEU HA 1 98 ALA MB . . 4.550 4.237 3.974 4.450 . 0 0 "[ . 1 . 2]" 1
728 1 37 LEU HA 1 100 ILE MD . . 4.080 3.641 3.218 3.885 . 0 0 "[ . 1 . 2]" 1
729 1 37 LEU HB2 1 37 LEU MD2 . . 3.640 2.778 2.722 2.933 . 0 0 "[ . 1 . 2]" 1
730 1 37 LEU HB2 1 38 ASN H . . 4.000 3.704 3.596 3.896 . 0 0 "[ . 1 . 2]" 1
731 1 37 LEU HB2 1 87 PHE QD . . 4.350 3.657 3.359 3.876 . 0 0 "[ . 1 . 2]" 1
732 1 37 LEU HB2 1 87 PHE QE . . 4.440 3.920 3.431 4.192 . 0 0 "[ . 1 . 2]" 1
733 1 37 LEU HB3 1 37 LEU MD1 . . 3.370 3.093 3.006 3.122 . 0 0 "[ . 1 . 2]" 1
734 1 37 LEU HB3 1 37 LEU MD2 . . 3.460 2.103 1.960 2.177 . 0 0 "[ . 1 . 2]" 1
735 1 37 LEU HB3 1 38 ASN H . . 3.650 2.253 2.088 2.559 . 0 0 "[ . 1 . 2]" 1
736 1 37 LEU HB3 1 87 PHE QE . . 4.600 4.289 3.991 4.540 . 0 0 "[ . 1 . 2]" 1
737 1 37 LEU MD1 1 38 ASN H . . 4.860 4.639 4.529 4.822 . 0 0 "[ . 1 . 2]" 1
738 1 37 LEU MD1 1 87 PHE H . . 5.460 5.313 4.878 5.463 0.003 1 0 "[ . 1 . 2]" 1
739 1 37 LEU MD1 1 87 PHE QD . . 3.380 2.725 2.146 2.944 . 0 0 "[ . 1 . 2]" 1
740 1 37 LEU MD1 1 87 PHE QE . . 3.830 3.642 3.192 3.831 0.001 6 0 "[ . 1 . 2]" 1
741 1 37 LEU MD1 1 88 MET H . . 5.030 3.843 3.291 4.209 . 0 0 "[ . 1 . 2]" 1
742 1 37 LEU MD1 1 88 MET HA . . 3.820 1.980 1.893 2.143 . 0 0 "[ . 1 . 2]" 1
743 1 37 LEU MD1 1 89 GLY H . . 4.010 3.384 3.024 3.684 . 0 0 "[ . 1 . 2]" 1
744 1 37 LEU MD1 1 89 GLY HA3 . . 4.590 3.890 3.451 4.256 . 0 0 "[ . 1 . 2]" 1
745 1 37 LEU MD1 1 99 PHE HA . . 4.040 2.731 2.546 2.883 . 0 0 "[ . 1 . 2]" 1
746 1 37 LEU MD1 1 100 ILE H . . 4.230 3.417 2.931 3.620 . 0 0 "[ . 1 . 2]" 1
747 1 37 LEU MD1 1 100 ILE HG13 . . 3.970 2.420 1.847 2.743 . 0 0 "[ . 1 . 2]" 1
748 1 37 LEU MD2 1 38 ASN H . . 4.500 3.265 3.001 3.675 . 0 0 "[ . 1 . 2]" 1
749 1 37 LEU MD2 1 87 PHE QD . . 4.020 3.756 3.482 4.020 . 0 0 "[ . 1 . 2]" 1
750 1 37 LEU MD2 1 87 PHE QE . . 3.970 3.067 2.730 3.302 . 0 0 "[ . 1 . 2]" 1
751 1 37 LEU MD2 1 87 PHE HZ . . 5.190 5.020 4.671 5.196 0.006 14 0 "[ . 1 . 2]" 1
752 1 37 LEU MD2 1 88 MET HA . . 4.300 3.460 3.171 3.684 . 0 0 "[ . 1 . 2]" 1
753 1 37 LEU MD2 1 89 GLY H . . 3.640 3.275 2.971 3.486 . 0 0 "[ . 1 . 2]" 1
754 1 37 LEU MD2 1 89 GLY HA2 . . 4.170 3.790 3.598 4.009 . 0 0 "[ . 1 . 2]" 1
755 1 37 LEU MD2 1 89 GLY HA3 . . 3.490 2.557 2.305 2.878 . 0 0 "[ . 1 . 2]" 1
756 1 37 LEU MD2 1 90 VAL H . . 4.500 3.966 3.541 4.263 . 0 0 "[ . 1 . 2]" 1
757 1 37 LEU HG 1 98 ALA MB . . 3.590 2.688 2.375 3.080 . 0 0 "[ . 1 . 2]" 1
758 1 38 ASN H 1 38 ASN HB2 . . 3.430 2.379 2.150 2.570 . 0 0 "[ . 1 . 2]" 1
759 1 38 ASN H 1 38 ASN HB3 . . 3.790 3.536 3.449 3.560 . 0 0 "[ . 1 . 2]" 1
760 1 38 ASN H 1 38 ASN HD21 . . 4.490 2.319 1.908 2.982 . 0 0 "[ . 1 . 2]" 1
761 1 38 ASN H 1 38 ASN HD22 . . 4.980 3.493 3.156 4.171 . 0 0 "[ . 1 . 2]" 1
762 1 38 ASN H 1 39 SER H . . 3.520 2.860 2.717 2.974 . 0 0 "[ . 1 . 2]" 1
763 1 38 ASN H 1 40 ALA H . . 5.050 4.263 4.001 4.490 . 0 0 "[ . 1 . 2]" 1
764 1 38 ASN HA 1 41 ILE H . . 4.040 3.341 3.179 3.540 . 0 0 "[ . 1 . 2]" 1
765 1 38 ASN HA 1 41 ILE HB . . 3.410 2.674 2.500 2.805 . 0 0 "[ . 1 . 2]" 1
766 1 38 ASN HA 1 41 ILE MD . . 3.380 2.411 2.011 3.009 . 0 0 "[ . 1 . 2]" 1
767 1 38 ASN HA 1 41 ILE HG13 . . 4.130 3.541 3.134 3.924 . 0 0 "[ . 1 . 2]" 1
768 1 38 ASN HA 1 41 ILE MG . . 4.140 4.028 3.764 4.142 0.002 6 0 "[ . 1 . 2]" 1
769 1 38 ASN HA 1 42 GLU H . . 4.410 3.827 3.598 4.070 . 0 0 "[ . 1 . 2]" 1
770 1 38 ASN HB2 1 39 SER H . . 3.910 2.390 2.227 2.715 . 0 0 "[ . 1 . 2]" 1
771 1 38 ASN HB3 1 39 SER H . . 4.210 3.268 2.939 3.500 . 0 0 "[ . 1 . 2]" 1
772 1 39 SER H 1 39 SER HB2 . . 3.380 2.164 2.029 2.498 . 0 0 "[ . 1 . 2]" 1
773 1 39 SER H 1 39 SER HB3 . . 3.540 3.036 2.489 3.480 . 0 0 "[ . 1 . 2]" 1
774 1 39 SER H 1 40 ALA H . . 3.400 2.961 2.629 3.049 . 0 0 "[ . 1 . 2]" 1
775 1 39 SER H 1 40 ALA MB . . 4.730 4.487 4.252 4.579 . 0 0 "[ . 1 . 2]" 1
776 1 39 SER HA 1 42 GLU H . . 4.340 3.867 3.614 4.058 . 0 0 "[ . 1 . 2]" 1
777 1 39 SER HA 1 42 GLU QB . . 3.530 2.682 2.448 3.504 . 0 0 "[ . 1 . 2]" 1
778 1 39 SER HA 1 42 GLU QG . . 4.810 4.109 2.505 4.540 . 0 0 "[ . 1 . 2]" 1
779 1 39 SER HA 1 43 ASN H . . 4.700 4.102 3.922 4.311 . 0 0 "[ . 1 . 2]" 1
780 1 39 SER HB2 1 40 ALA H . . 3.910 3.438 2.701 3.972 0.062 13 0 "[ . 1 . 2]" 1
781 1 39 SER HB3 1 40 ALA H . . 3.970 2.730 2.518 3.158 . 0 0 "[ . 1 . 2]" 1
782 1 40 ALA H 1 40 ALA MB . . 3.040 2.079 1.939 2.161 . 0 0 "[ . 1 . 2]" 1
783 1 40 ALA H 1 41 ILE H . . 3.490 2.835 2.537 2.992 . 0 0 "[ . 1 . 2]" 1
784 1 40 ALA H 1 41 ILE HB . . 4.880 4.801 4.409 4.884 0.004 2 0 "[ . 1 . 2]" 1
785 1 40 ALA H 1 41 ILE HG13 . . 4.710 4.508 4.257 4.783 0.073 20 0 "[ . 1 . 2]" 1
786 1 40 ALA H 1 42 GLU H . . 4.890 4.566 4.265 4.777 . 0 0 "[ . 1 . 2]" 1
787 1 40 ALA HA 1 43 ASN H . . 4.080 3.572 3.383 3.845 . 0 0 "[ . 1 . 2]" 1
788 1 40 ALA HA 1 43 ASN HB2 . . 3.780 2.683 2.410 3.002 . 0 0 "[ . 1 . 2]" 1
789 1 40 ALA HA 1 43 ASN HB3 . . 3.700 3.356 2.886 3.665 . 0 0 "[ . 1 . 2]" 1
790 1 40 ALA HA 1 43 ASN HD21 . . 4.920 3.557 3.055 4.924 0.004 9 0 "[ . 1 . 2]" 1
791 1 40 ALA MB 1 41 ILE H . . 3.470 2.370 2.076 2.782 . 0 0 "[ . 1 . 2]" 1
792 1 40 ALA MB 1 41 ILE HA . . 4.660 3.740 3.631 3.879 . 0 0 "[ . 1 . 2]" 1
793 1 40 ALA MB 1 41 ILE HG13 . . 4.010 3.108 2.871 3.499 . 0 0 "[ . 1 . 2]" 1
794 1 40 ALA MB 1 42 GLU H . . 5.120 4.784 4.510 5.162 0.042 20 0 "[ . 1 . 2]" 1
795 1 40 ALA MB 1 44 LEU MD1 . . 4.440 3.939 3.350 4.254 . 0 0 "[ . 1 . 2]" 1
796 1 40 ALA MB 1 110 CYS HB2 . . 4.050 3.782 3.466 3.996 . 0 0 "[ . 1 . 2]" 1
797 1 40 ALA MB 1 110 CYS HB3 . . 3.780 2.980 2.760 3.144 . 0 0 "[ . 1 . 2]" 1
798 1 40 ALA MB 1 112 VAL MG2 . . 3.630 2.982 2.696 3.124 . 0 0 "[ . 1 . 2]" 1
799 1 41 ILE H 1 41 ILE HB . . 3.480 2.397 2.109 2.458 . 0 0 "[ . 1 . 2]" 1
800 1 41 ILE H 1 41 ILE MD . . 3.710 3.391 3.251 3.651 . 0 0 "[ . 1 . 2]" 1
801 1 41 ILE H 1 41 ILE HG12 . . 3.930 3.394 3.209 3.971 0.041 20 0 "[ . 1 . 2]" 1
802 1 41 ILE H 1 41 ILE HG13 . . 3.420 2.061 1.950 2.819 . 0 0 "[ . 1 . 2]" 1
803 1 41 ILE H 1 41 ILE MG . . 3.850 3.695 3.540 3.714 . 0 0 "[ . 1 . 2]" 1
804 1 41 ILE H 1 42 GLU H . . 3.700 3.038 2.892 3.224 . 0 0 "[ . 1 . 2]" 1
805 1 41 ILE H 1 42 GLU QB . . 4.920 4.618 4.452 4.768 . 0 0 "[ . 1 . 2]" 1
806 1 41 ILE H 1 98 ALA MB . . 4.800 4.218 3.986 4.455 . 0 0 "[ . 1 . 2]" 1
807 1 41 ILE H 1 112 VAL MG1 . . 4.610 4.450 4.230 4.611 0.001 8 0 "[ . 1 . 2]" 1
808 1 41 ILE H 1 112 VAL MG2 . . 4.170 3.411 3.097 3.663 . 0 0 "[ . 1 . 2]" 1
809 1 41 ILE HA 1 41 ILE MD . . 3.930 3.820 3.745 3.856 . 0 0 "[ . 1 . 2]" 1
810 1 41 ILE HA 1 41 ILE HG12 . . 3.620 2.539 2.412 2.647 . 0 0 "[ . 1 . 2]" 1
811 1 41 ILE HA 1 41 ILE HG13 . . 3.780 2.845 2.604 3.010 . 0 0 "[ . 1 . 2]" 1
812 1 41 ILE HA 1 41 ILE MG . . 3.200 2.466 2.412 2.670 . 0 0 "[ . 1 . 2]" 1
813 1 41 ILE HA 1 44 LEU H . . 4.540 3.429 3.336 3.524 . 0 0 "[ . 1 . 2]" 1
814 1 41 ILE HA 1 44 LEU HB2 . . 4.270 2.808 2.631 2.994 . 0 0 "[ . 1 . 2]" 1
815 1 41 ILE HA 1 44 LEU MD1 . . 4.140 3.467 3.132 3.889 . 0 0 "[ . 1 . 2]" 1
816 1 41 ILE HA 1 45 MET H . . 5.010 3.819 3.527 4.184 . 0 0 "[ . 1 . 2]" 1
817 1 41 ILE HA 1 98 ALA MB . . 4.510 4.261 3.967 4.516 0.006 9 0 "[ . 1 . 2]" 1
818 1 41 ILE HA 1 112 VAL HB . . 4.940 4.106 3.990 4.267 . 0 0 "[ . 1 . 2]" 1
819 1 41 ILE HA 1 112 VAL MG1 . . 3.330 2.439 2.150 2.789 . 0 0 "[ . 1 . 2]" 1
820 1 41 ILE HA 1 112 VAL MG2 . . 3.310 2.070 1.977 2.389 . 0 0 "[ . 1 . 2]" 1
821 1 41 ILE HB 1 41 ILE MD . . 3.240 2.271 2.090 2.387 . 0 0 "[ . 1 . 2]" 1
822 1 41 ILE HB 1 42 GLU H . . 3.440 2.308 2.210 2.472 . 0 0 "[ . 1 . 2]" 1
823 1 41 ILE HB 1 42 GLU HA . . 4.780 4.323 4.231 4.654 . 0 0 "[ . 1 . 2]" 1
824 1 41 ILE HB 1 42 GLU QG . . 5.050 3.970 3.575 4.882 . 0 0 "[ . 1 . 2]" 1
825 1 41 ILE HB 1 98 ALA MB . . 5.190 4.492 4.263 4.797 . 0 0 "[ . 1 . 2]" 1
826 1 41 ILE MD 1 42 GLU H . . 4.570 4.212 4.039 4.383 . 0 0 "[ . 1 . 2]" 1
827 1 41 ILE MD 1 91 GLY H . . 3.940 2.753 2.347 3.255 . 0 0 "[ . 1 . 2]" 1
828 1 41 ILE MD 1 91 GLY HA2 . . 3.690 2.564 2.248 3.338 . 0 0 "[ . 1 . 2]" 1
829 1 41 ILE MD 1 91 GLY HA3 . . 3.450 2.087 1.837 2.407 . 0 0 "[ . 1 . 2]" 1
830 1 41 ILE MD 1 92 LYS H . . 4.380 3.675 3.264 4.225 . 0 0 "[ . 1 . 2]" 1
831 1 41 ILE MD 1 96 THR HA . . 4.770 4.395 4.005 4.676 . 0 0 "[ . 1 . 2]" 1
832 1 41 ILE MD 1 96 THR HB . . 3.660 2.414 1.980 2.665 . 0 0 "[ . 1 . 2]" 1
833 1 41 ILE MD 1 96 THR HG1 . . 4.470 4.048 3.717 4.341 . 0 0 "[ . 1 . 2]" 1
834 1 41 ILE MD 1 96 THR MG . . 3.950 3.709 3.362 3.897 . 0 0 "[ . 1 . 2]" 1
835 1 41 ILE MD 1 97 PHE H . . 4.760 3.884 3.497 4.238 . 0 0 "[ . 1 . 2]" 1
836 1 41 ILE MD 1 97 PHE HA . . 4.750 3.656 3.274 3.907 . 0 0 "[ . 1 . 2]" 1
837 1 41 ILE MD 1 98 ALA H . . 4.310 3.366 3.109 3.713 . 0 0 "[ . 1 . 2]" 1
838 1 41 ILE MD 1 98 ALA MB . . 3.100 2.069 1.807 2.327 . 0 0 "[ . 1 . 2]" 1
839 1 41 ILE HG12 1 96 THR HB . . 4.660 4.129 3.357 4.620 . 0 0 "[ . 1 . 2]" 1
840 1 41 ILE HG12 1 98 ALA MB . . 4.610 2.382 2.157 2.614 . 0 0 "[ . 1 . 2]" 1
841 1 41 ILE HG12 1 112 VAL HB . . 5.140 4.185 3.858 4.388 . 0 0 "[ . 1 . 2]" 1
842 1 41 ILE HG12 1 112 VAL MG1 . . 3.920 2.007 1.866 2.168 . 0 0 "[ . 1 . 2]" 1
843 1 41 ILE HG13 1 42 GLU H . . 4.720 4.334 4.201 4.631 . 0 0 "[ . 1 . 2]" 1
844 1 41 ILE HG13 1 98 ALA MB . . 3.630 2.665 2.293 3.001 . 0 0 "[ . 1 . 2]" 1
845 1 41 ILE HG13 1 112 VAL MG1 . . 3.860 3.421 3.061 3.658 . 0 0 "[ . 1 . 2]" 1
846 1 41 ILE HG13 1 112 VAL MG2 . . 3.710 2.544 2.238 2.907 . 0 0 "[ . 1 . 2]" 1
847 1 41 ILE MG 1 42 GLU H . . 3.740 2.953 2.126 3.186 . 0 0 "[ . 1 . 2]" 1
848 1 41 ILE MG 1 42 GLU HA . . 3.860 3.284 2.752 3.456 . 0 0 "[ . 1 . 2]" 1
849 1 41 ILE MG 1 42 GLU QG . . 4.480 3.667 3.363 4.393 . 0 0 "[ . 1 . 2]" 1
850 1 41 ILE MG 1 44 LEU H . . 4.610 4.610 4.590 4.622 0.012 20 0 "[ . 1 . 2]" 1
851 1 41 ILE MG 1 45 MET HB2 . . 4.990 3.590 3.319 3.955 . 0 0 "[ . 1 . 2]" 1
852 1 41 ILE MG 1 45 MET ME . . 3.410 3.261 2.750 3.415 0.005 2 0 "[ . 1 . 2]" 1
853 1 41 ILE MG 1 45 MET HG2 . . 3.800 3.287 2.990 3.448 . 0 0 "[ . 1 . 2]" 1
854 1 41 ILE MG 1 45 MET HG3 . . 3.660 2.232 1.980 2.461 . 0 0 "[ . 1 . 2]" 1
855 1 41 ILE MG 1 91 GLY HA2 . . 4.910 4.385 3.984 4.912 0.002 10 0 "[ . 1 . 2]" 1
856 1 41 ILE MG 1 91 GLY HA3 . . 4.060 3.210 2.668 3.495 . 0 0 "[ . 1 . 2]" 1
857 1 41 ILE MG 1 96 THR HA . . 4.450 4.362 4.116 4.461 0.011 20 0 "[ . 1 . 2]" 1
858 1 41 ILE MG 1 96 THR HB . . 3.110 2.481 2.098 2.755 . 0 0 "[ . 1 . 2]" 1
859 1 41 ILE MG 1 96 THR HG1 . . 4.080 3.840 3.488 4.090 0.010 7 0 "[ . 1 . 2]" 1
860 1 41 ILE MG 1 96 THR MG . . 3.210 2.692 2.415 2.926 . 0 0 "[ . 1 . 2]" 1
861 1 41 ILE MG 1 97 PHE H . . 5.050 4.523 4.132 4.976 . 0 0 "[ . 1 . 2]" 1
862 1 42 GLU H 1 42 GLU QB . . 3.080 2.225 2.100 2.358 . 0 0 "[ . 1 . 2]" 1
863 1 42 GLU H 1 42 GLU QG . . 3.650 2.621 2.299 2.882 . 0 0 "[ . 1 . 2]" 1
864 1 42 GLU H 1 43 ASN H . . 3.510 2.954 2.820 3.054 . 0 0 "[ . 1 . 2]" 1
865 1 42 GLU HA 1 42 GLU QG . . 3.390 2.184 2.021 3.286 . 0 0 "[ . 1 . 2]" 1
866 1 42 GLU HA 1 45 MET H . . 3.970 3.534 3.333 3.717 . 0 0 "[ . 1 . 2]" 1
867 1 42 GLU HA 1 45 MET HB2 . . 3.540 2.168 1.980 2.344 . 0 0 "[ . 1 . 2]" 1
868 1 42 GLU HA 1 45 MET HB3 . . 4.170 3.509 3.296 3.838 . 0 0 "[ . 1 . 2]" 1
869 1 42 GLU HA 1 45 MET HG2 . . 4.800 4.468 4.211 4.684 . 0 0 "[ . 1 . 2]" 1
870 1 42 GLU HA 1 45 MET HG3 . . 4.470 3.078 2.693 3.364 . 0 0 "[ . 1 . 2]" 1
871 1 42 GLU HA 1 46 THR H . . 4.740 3.959 3.602 4.421 . 0 0 "[ . 1 . 2]" 1
872 1 42 GLU HA 1 46 THR MG . . 4.400 4.009 3.294 4.263 . 0 0 "[ . 1 . 2]" 1
873 1 42 GLU QB 1 43 ASN H . . 3.470 2.791 2.627 3.367 . 0 0 "[ . 1 . 2]" 1
874 1 42 GLU QG 1 43 ASN H . . 4.930 4.288 1.866 4.497 . 0 0 "[ . 1 . 2]" 1
875 1 43 ASN H 1 43 ASN HB2 . . 3.220 2.104 2.040 2.277 . 0 0 "[ . 1 . 2]" 1
876 1 43 ASN H 1 43 ASN HB3 . . 3.180 2.962 2.698 3.106 . 0 0 "[ . 1 . 2]" 1
877 1 43 ASN H 1 44 LEU HB2 . . 4.770 4.652 4.495 4.765 . 0 0 "[ . 1 . 2]" 1
878 1 43 ASN H 1 45 MET H . . 4.970 4.067 3.522 4.448 . 0 0 "[ . 1 . 2]" 1
879 1 43 ASN HA 1 43 ASN HD21 . . 4.650 4.142 3.811 4.402 . 0 0 "[ . 1 . 2]" 1
880 1 43 ASN HA 1 46 THR H . . 4.420 3.898 3.269 4.150 . 0 0 "[ . 1 . 2]" 1
881 1 43 ASN HB2 1 44 LEU H . . 3.740 3.203 2.987 3.484 . 0 0 "[ . 1 . 2]" 1
882 1 43 ASN HB2 1 44 LEU HG . . 5.500 5.042 4.813 5.217 . 0 0 "[ . 1 . 2]" 1
883 1 43 ASN HB3 1 44 LEU H . . 4.030 2.187 2.035 2.503 . 0 0 "[ . 1 . 2]" 1
884 1 43 ASN HB3 1 44 LEU HG . . 4.280 3.485 3.365 3.727 . 0 0 "[ . 1 . 2]" 1
885 1 44 LEU H 1 44 LEU HB2 . . 3.130 2.130 2.038 2.198 . 0 0 "[ . 1 . 2]" 1
886 1 44 LEU H 1 44 LEU HB3 . . 3.920 3.432 3.344 3.473 . 0 0 "[ . 1 . 2]" 1
887 1 44 LEU H 1 44 LEU MD1 . . 4.090 3.669 3.501 3.995 . 0 0 "[ . 1 . 2]" 1
888 1 44 LEU H 1 44 LEU MD2 . . 3.850 3.843 3.801 3.885 0.035 14 0 "[ . 1 . 2]" 1
889 1 44 LEU H 1 44 LEU HG . . 3.560 2.850 2.688 3.184 . 0 0 "[ . 1 . 2]" 1
890 1 44 LEU H 1 45 MET H . . 3.570 2.805 2.601 2.972 . 0 0 "[ . 1 . 2]" 1
891 1 44 LEU H 1 112 VAL MG1 . . 5.010 4.797 4.447 4.961 . 0 0 "[ . 1 . 2]" 1
892 1 44 LEU HA 1 44 LEU MD1 . . 4.010 3.801 3.746 3.817 . 0 0 "[ . 1 . 2]" 1
893 1 44 LEU HA 1 44 LEU MD2 . . 2.840 2.010 1.948 2.192 . 0 0 "[ . 1 . 2]" 1
894 1 44 LEU HA 1 44 LEU HG . . 3.280 2.693 2.635 2.815 . 0 0 "[ . 1 . 2]" 1
895 1 44 LEU HA 1 46 THR H . . 4.910 4.762 4.368 4.916 0.006 10 0 "[ . 1 . 2]" 1
896 1 44 LEU HB2 1 44 LEU MD1 . . 3.580 2.236 2.139 2.451 . 0 0 "[ . 1 . 2]" 1
897 1 44 LEU HB2 1 45 MET H . . 3.990 2.851 2.582 3.554 . 0 0 "[ . 1 . 2]" 1
898 1 44 LEU HB3 1 44 LEU MD1 . . 3.260 2.452 2.292 2.544 . 0 0 "[ . 1 . 2]" 1
899 1 44 LEU HB3 1 44 LEU MD2 . . 3.620 2.342 2.232 2.465 . 0 0 "[ . 1 . 2]" 1
900 1 44 LEU HB3 1 45 MET H . . 4.480 3.275 2.987 3.840 . 0 0 "[ . 1 . 2]" 1
901 1 44 LEU MD1 1 112 VAL H . . 3.760 3.019 2.516 3.277 . 0 0 "[ . 1 . 2]" 1
902 1 44 LEU MD1 1 112 VAL HA . . 4.600 4.329 4.067 4.439 . 0 0 "[ . 1 . 2]" 1
903 1 44 LEU MD1 1 112 VAL HB . . 3.180 1.971 1.890 2.097 . 0 0 "[ . 1 . 2]" 1
904 1 44 LEU MD1 1 112 VAL MG1 . . 3.960 2.900 2.582 3.208 . 0 0 "[ . 1 . 2]" 1
905 1 44 LEU MD2 1 45 MET H . . 4.920 4.680 4.582 4.777 . 0 0 "[ . 1 . 2]" 1
906 1 45 MET H 1 45 MET HB2 . . 3.590 2.184 1.994 2.405 . 0 0 "[ . 1 . 2]" 1
907 1 45 MET H 1 45 MET HB3 . . 3.890 3.452 3.286 3.538 . 0 0 "[ . 1 . 2]" 1
908 1 45 MET H 1 45 MET HG2 . . 4.300 3.243 2.516 3.835 . 0 0 "[ . 1 . 2]" 1
909 1 45 MET H 1 45 MET HG3 . . 3.840 3.038 2.645 3.581 . 0 0 "[ . 1 . 2]" 1
910 1 45 MET H 1 46 THR H . . 3.440 3.096 2.308 3.275 . 0 0 "[ . 1 . 2]" 1
911 1 45 MET H 1 46 THR MG . . 4.870 4.431 3.559 4.713 . 0 0 "[ . 1 . 2]" 1
912 1 45 MET H 1 47 SER H . . 5.160 4.628 3.409 5.166 0.006 3 0 "[ . 1 . 2]" 1
913 1 45 MET H 1 112 VAL MG1 . . 5.090 4.368 4.038 4.589 . 0 0 "[ . 1 . 2]" 1
914 1 45 MET HA 1 45 MET ME . . 3.880 3.872 3.797 3.914 0.034 3 0 "[ . 1 . 2]" 1
915 1 45 MET HA 1 45 MET HG2 . . 3.630 2.119 2.015 2.361 . 0 0 "[ . 1 . 2]" 1
916 1 45 MET HA 1 45 MET HG3 . . 4.070 3.270 2.889 3.580 . 0 0 "[ . 1 . 2]" 1
917 1 45 MET HA 1 47 SER H . . 5.030 4.150 3.827 4.929 . 0 0 "[ . 1 . 2]" 1
918 1 45 MET HA 1 53 TRP HE1 . . 4.960 4.257 3.839 4.498 . 0 0 "[ . 1 . 2]" 1
919 1 45 MET HA 1 53 TRP HH2 . . 4.620 3.701 3.204 4.050 . 0 0 "[ . 1 . 2]" 1
920 1 45 MET HA 1 53 TRP HZ2 . . 3.580 2.320 2.090 2.544 . 0 0 "[ . 1 . 2]" 1
921 1 45 MET HB2 1 46 THR H . . 4.090 2.534 2.239 2.950 . 0 0 "[ . 1 . 2]" 1
922 1 45 MET HB2 1 46 THR MG . . 4.990 3.549 2.993 4.034 . 0 0 "[ . 1 . 2]" 1
923 1 45 MET HB3 1 46 THR H . . 4.240 2.783 2.564 3.460 . 0 0 "[ . 1 . 2]" 1
924 1 45 MET HB3 1 46 THR MG . . 4.760 3.504 2.459 4.869 0.109 20 0 "[ . 1 . 2]" 1
925 1 45 MET ME 1 53 TRP HH2 . . 3.460 2.374 2.115 2.729 . 0 0 "[ . 1 . 2]" 1
926 1 45 MET ME 1 53 TRP HZ2 . . 4.710 4.015 3.708 4.426 . 0 0 "[ . 1 . 2]" 1
927 1 45 MET ME 1 53 TRP HZ3 . . 4.340 3.615 2.926 4.043 . 0 0 "[ . 1 . 2]" 1
928 1 45 MET ME 1 93 ASP QB . . 4.480 3.496 2.876 3.908 . 0 0 "[ . 1 . 2]" 1
929 1 45 MET ME 1 96 THR HG1 . . 4.340 4.138 3.804 4.361 0.021 3 0 "[ . 1 . 2]" 1
930 1 45 MET ME 1 96 THR MG . . 3.050 2.099 1.868 2.473 . 0 0 "[ . 1 . 2]" 1
931 1 45 MET ME 1 114 TRP HE3 . . 3.400 2.885 1.996 3.284 . 0 0 "[ . 1 . 2]" 1
932 1 45 MET ME 1 114 TRP HH2 . . 3.690 3.404 3.152 3.723 0.033 3 0 "[ . 1 . 2]" 1
933 1 45 MET ME 1 114 TRP HZ3 . . 3.020 1.859 1.763 1.991 . 0 0 "[ . 1 . 2]" 1
934 1 45 MET HG2 1 53 TRP HH2 . . 4.630 3.178 2.618 3.546 . 0 0 "[ . 1 . 2]" 1
935 1 45 MET HG2 1 53 TRP HZ2 . . 4.450 3.317 3.174 3.652 . 0 0 "[ . 1 . 2]" 1
936 1 45 MET HG2 1 96 THR MG . . 4.690 4.052 3.512 4.400 . 0 0 "[ . 1 . 2]" 1
937 1 45 MET HG3 1 53 TRP HH2 . . 5.020 4.736 4.301 5.008 . 0 0 "[ . 1 . 2]" 1
938 1 45 MET HG3 1 53 TRP HZ2 . . 4.960 4.950 4.727 4.982 0.022 3 0 "[ . 1 . 2]" 1
939 1 45 MET HG3 1 96 THR MG . . 4.440 3.754 3.446 3.939 . 0 0 "[ . 1 . 2]" 1
940 1 46 THR H 1 46 THR HB . . 3.470 3.162 2.396 3.517 0.047 6 0 "[ . 1 . 2]" 1
941 1 46 THR H 1 46 THR HG1 . . 4.890 3.375 1.917 4.427 . 0 0 "[ . 1 . 2]" 1
942 1 46 THR H 1 46 THR MG . . 3.510 2.150 1.942 2.533 . 0 0 "[ . 1 . 2]" 1
943 1 46 THR HA 1 46 THR MG . . 3.110 2.702 2.266 3.232 0.122 20 0 "[ . 1 . 2]" 1
944 1 46 THR MG 1 47 SER H . . 4.620 3.989 2.577 4.408 . 0 0 "[ . 1 . 2]" 1
945 1 47 SER H 1 47 SER HB2 . . 3.670 2.933 2.188 3.551 . 0 0 "[ . 1 . 2]" 1
946 1 47 SER H 1 47 SER HB3 . . 4.180 3.099 2.029 3.731 . 0 0 "[ . 1 . 2]" 1
947 1 47 SER HB3 1 48 SER H . . 3.720 2.481 1.948 4.330 0.610 14 2 "[ -. 1 +. 2]" 1
948 1 48 SER H 1 48 SER HB2 . . 3.790 2.629 2.206 3.678 . 0 0 "[ . 1 . 2]" 1
949 1 48 SER H 1 49 SER H . . 4.720 4.452 3.977 4.609 . 0 0 "[ . 1 . 2]" 1
950 1 48 SER H 1 53 TRP HE1 . . 4.800 3.696 2.819 4.811 0.011 4 0 "[ . 1 . 2]" 1
951 1 48 SER HB3 1 49 SER H . . 3.360 2.856 2.244 3.444 0.084 6 0 "[ . 1 . 2]" 1
952 1 48 SER HB3 1 52 ASP HB2 . . 4.750 3.209 2.697 4.322 . 0 0 "[ . 1 . 2]" 1
953 1 48 SER HB3 1 52 ASP HB3 . . 4.310 2.613 2.037 3.289 . 0 0 "[ . 1 . 2]" 1
954 1 48 SER HB3 1 53 TRP HD1 . . 4.350 3.068 2.311 3.817 . 0 0 "[ . 1 . 2]" 1
955 1 48 SER HB3 1 53 TRP HE1 . . 3.920 2.749 2.018 3.687 . 0 0 "[ . 1 . 2]" 1
956 1 49 SER H 1 49 SER HB2 . . 3.560 2.538 2.242 2.695 . 0 0 "[ . 1 . 2]" 1
957 1 49 SER H 1 49 SER HB3 . . 3.750 3.559 3.505 3.587 . 0 0 "[ . 1 . 2]" 1
958 1 49 SER H 1 50 LYS H . . 4.830 4.599 4.546 4.653 . 0 0 "[ . 1 . 2]" 1
959 1 49 SER H 1 52 ASP H . . 4.440 3.963 3.521 4.147 . 0 0 "[ . 1 . 2]" 1
960 1 49 SER H 1 52 ASP HB2 . . 4.630 2.361 2.051 2.956 . 0 0 "[ . 1 . 2]" 1
961 1 49 SER H 1 52 ASP HB3 . . 4.100 3.162 2.617 3.616 . 0 0 "[ . 1 . 2]" 1
962 1 49 SER H 1 53 TRP HD1 . . 5.320 5.163 4.753 5.325 0.005 5 0 "[ . 1 . 2]" 1
963 1 49 SER H 1 53 TRP HE1 . . 4.860 4.426 4.174 4.670 . 0 0 "[ . 1 . 2]" 1
964 1 49 SER HA 1 50 LYS H . . 2.870 2.607 2.492 2.709 . 0 0 "[ . 1 . 2]" 1
965 1 49 SER HA 1 50 LYS QB . . 5.070 4.267 4.214 4.353 . 0 0 "[ . 1 . 2]" 1
966 1 49 SER HA 1 51 GLU H . . 4.820 4.747 4.533 4.823 0.003 7 0 "[ . 1 . 2]" 1
967 1 49 SER HA 1 52 ASP H . . 4.740 4.498 4.313 4.623 . 0 0 "[ . 1 . 2]" 1
968 1 49 SER HB2 1 50 LYS H . . 3.750 3.353 3.048 3.593 . 0 0 "[ . 1 . 2]" 1
969 1 49 SER HB2 1 51 GLU H . . 4.090 3.528 3.192 3.899 . 0 0 "[ . 1 . 2]" 1
970 1 49 SER HB2 1 51 GLU HB2 . . 5.090 3.923 3.567 4.172 . 0 0 "[ . 1 . 2]" 1
971 1 49 SER HB2 1 52 ASP H . . 4.390 2.244 2.082 2.591 . 0 0 "[ . 1 . 2]" 1
972 1 49 SER HB3 1 50 LYS H . . 3.720 2.299 2.037 2.537 . 0 0 "[ . 1 . 2]" 1
973 1 49 SER HB3 1 51 GLU H . . 4.130 3.178 2.892 3.372 . 0 0 "[ . 1 . 2]" 1
974 1 49 SER HB3 1 52 ASP H . . 4.460 3.284 2.984 3.616 . 0 0 "[ . 1 . 2]" 1
975 1 50 LYS H 1 50 LYS QB . . 3.270 2.085 2.073 2.127 . 0 0 "[ . 1 . 2]" 1
976 1 50 LYS H 1 50 LYS HG2 . . 4.040 4.040 4.000 4.054 0.014 11 0 "[ . 1 . 2]" 1
977 1 50 LYS H 1 50 LYS HG3 . . 4.460 4.404 4.308 4.442 . 0 0 "[ . 1 . 2]" 1
978 1 50 LYS H 1 51 GLU H . . 3.740 2.623 2.428 2.752 . 0 0 "[ . 1 . 2]" 1
979 1 50 LYS HA 1 50 LYS HG3 . . 3.820 2.752 2.710 2.787 . 0 0 "[ . 1 . 2]" 1
980 1 50 LYS HA 1 52 ASP H . . 4.750 4.264 3.995 4.510 . 0 0 "[ . 1 . 2]" 1
981 1 50 LYS HA 1 53 TRP H . . 4.200 3.766 3.425 3.888 . 0 0 "[ . 1 . 2]" 1
982 1 50 LYS HA 1 53 TRP HB2 . . 5.050 4.068 3.775 4.244 . 0 0 "[ . 1 . 2]" 1
983 1 50 LYS HA 1 53 TRP HE1 . . 5.120 4.450 4.284 4.627 . 0 0 "[ . 1 . 2]" 1
984 1 50 LYS HA 1 53 TRP HE3 . . 4.090 3.045 2.927 3.253 . 0 0 "[ . 1 . 2]" 1
985 1 50 LYS HA 1 53 TRP HH2 . . 4.880 3.445 3.236 3.981 . 0 0 "[ . 1 . 2]" 1
986 1 50 LYS HA 1 53 TRP HZ2 . . 4.740 3.665 3.437 4.076 . 0 0 "[ . 1 . 2]" 1
987 1 50 LYS HA 1 53 TRP HZ3 . . 4.800 3.102 2.955 3.600 . 0 0 "[ . 1 . 2]" 1
988 1 50 LYS QB 1 50 LYS HD2 . . 3.500 2.273 2.116 2.464 . 0 0 "[ . 1 . 2]" 1
989 1 50 LYS QB 1 50 LYS HD3 . . 3.910 2.582 2.376 2.916 . 0 0 "[ . 1 . 2]" 1
990 1 50 LYS QB 1 50 LYS HE2 . . 5.010 3.914 3.628 4.066 . 0 0 "[ . 1 . 2]" 1
991 1 50 LYS QB 1 51 GLU H . . 3.830 2.723 2.669 2.812 . 0 0 "[ . 1 . 2]" 1
992 1 50 LYS QB 1 51 GLU QG . . 3.970 3.519 3.369 3.631 . 0 0 "[ . 1 . 2]" 1
993 1 50 LYS QB 1 53 TRP HE3 . . 4.970 4.165 4.000 4.319 . 0 0 "[ . 1 . 2]" 1
994 1 50 LYS QB 1 53 TRP HH2 . . 4.870 3.319 3.021 4.069 . 0 0 "[ . 1 . 2]" 1
995 1 50 LYS QB 1 53 TRP HZ3 . . 4.630 3.102 2.930 3.695 . 0 0 "[ . 1 . 2]" 1
996 1 50 LYS HE2 1 50 LYS HG2 . . 4.050 2.844 2.529 3.210 . 0 0 "[ . 1 . 2]" 1
997 1 50 LYS HE2 1 50 LYS HG3 . . 4.000 2.297 1.997 2.557 . 0 0 "[ . 1 . 2]" 1
998 1 50 LYS HE2 1 53 TRP HZ3 . . 4.970 4.126 3.482 4.855 . 0 0 "[ . 1 . 2]" 1
999 1 50 LYS HE2 1 114 TRP HD1 . . 5.100 4.963 4.764 5.100 0.000 20 0 "[ . 1 . 2]" 1
1000 1 50 LYS HE2 1 114 TRP HE1 . . 4.800 4.530 4.206 4.718 . 0 0 "[ . 1 . 2]" 1
1001 1 50 LYS HE3 1 50 LYS HG2 . . 4.100 3.836 3.685 4.016 . 0 0 "[ . 1 . 2]" 1
1002 1 50 LYS HE3 1 50 LYS HG3 . . 4.120 3.403 2.969 3.738 . 0 0 "[ . 1 . 2]" 1
1003 1 50 LYS HE3 1 114 TRP HE1 . . 4.590 3.924 3.260 4.576 . 0 0 "[ . 1 . 2]" 1
1004 1 50 LYS HE3 1 114 TRP HZ2 . . 4.960 3.614 3.103 3.963 . 0 0 "[ . 1 . 2]" 1
1005 1 50 LYS HG2 1 51 GLU H . . 4.060 2.935 2.762 3.063 . 0 0 "[ . 1 . 2]" 1
1006 1 50 LYS HG3 1 51 GLU H . . 4.790 3.918 3.685 4.054 . 0 0 "[ . 1 . 2]" 1
1007 1 50 LYS HG3 1 53 TRP HE3 . . 4.420 2.956 2.684 3.535 . 0 0 "[ . 1 . 2]" 1
1008 1 50 LYS HG3 1 53 TRP HZ3 . . 4.480 3.070 2.626 4.057 . 0 0 "[ . 1 . 2]" 1
1009 1 51 GLU H 1 51 GLU HB2 . . 3.350 2.404 2.338 2.470 . 0 0 "[ . 1 . 2]" 1
1010 1 51 GLU H 1 51 GLU HB3 . . 3.640 3.544 3.532 3.552 . 0 0 "[ . 1 . 2]" 1
1011 1 51 GLU H 1 51 GLU QG . . 3.900 2.259 2.074 2.489 . 0 0 "[ . 1 . 2]" 1
1012 1 51 GLU H 1 52 ASP H . . 3.380 2.607 2.497 2.666 . 0 0 "[ . 1 . 2]" 1
1013 1 51 GLU H 1 53 TRP H . . 4.640 4.099 3.994 4.285 . 0 0 "[ . 1 . 2]" 1
1014 1 51 GLU HA 1 51 GLU QG . . 3.490 2.490 2.362 2.808 . 0 0 "[ . 1 . 2]" 1
1015 1 51 GLU HA 1 53 TRP H . . 4.460 3.559 3.375 4.061 . 0 0 "[ . 1 . 2]" 1
1016 1 51 GLU HB2 1 52 ASP H . . 4.390 2.916 2.728 3.087 . 0 0 "[ . 1 . 2]" 1
1017 1 51 GLU HB3 1 52 ASP H . . 4.620 3.858 3.676 3.993 . 0 0 "[ . 1 . 2]" 1
1018 1 51 GLU QG 1 52 ASP H . . 4.790 4.215 4.134 4.315 . 0 0 "[ . 1 . 2]" 1
1019 1 52 ASP H 1 52 ASP HB2 . . 3.780 2.139 2.005 2.618 . 0 0 "[ . 1 . 2]" 1
1020 1 52 ASP H 1 52 ASP HB3 . . 3.520 3.236 2.311 3.521 0.001 14 0 "[ . 1 . 2]" 1
1021 1 52 ASP H 1 53 TRP H . . 2.980 2.731 2.623 2.827 . 0 0 "[ . 1 . 2]" 1
1022 1 52 ASP HB3 1 53 TRP H . . 4.030 3.370 2.671 3.857 . 0 0 "[ . 1 . 2]" 1
1023 1 52 ASP HB3 1 53 TRP HD1 . . 4.410 3.357 2.954 3.719 . 0 0 "[ . 1 . 2]" 1
1024 1 53 TRP H 1 53 TRP HB2 . . 3.400 2.583 2.553 2.637 . 0 0 "[ . 1 . 2]" 1
1025 1 53 TRP H 1 53 TRP HB3 . . 3.750 3.574 3.542 3.601 . 0 0 "[ . 1 . 2]" 1
1026 1 53 TRP H 1 53 TRP HD1 . . 3.560 3.323 2.938 3.531 . 0 0 "[ . 1 . 2]" 1
1027 1 53 TRP H 1 54 PRO HD2 . . 4.730 5.032 5.018 5.044 0.314 2 0 "[ . 1 . 2]" 1
1028 1 53 TRP HA 1 53 TRP HD1 . . 3.310 2.446 2.417 2.468 . 0 0 "[ . 1 . 2]" 1
1029 1 53 TRP HA 1 53 TRP HE1 . . 4.980 5.015 4.993 5.032 0.052 20 0 "[ . 1 . 2]" 1
1030 1 53 TRP HA 1 54 PRO HD2 . . 3.180 2.345 2.312 2.377 . 0 0 "[ . 1 . 2]" 1
1031 1 53 TRP HA 1 54 PRO HD3 . . 3.200 1.950 1.939 1.965 . 0 0 "[ . 1 . 2]" 1
1032 1 53 TRP HA 1 54 PRO HG2 . . 4.670 4.408 4.392 4.425 . 0 0 "[ . 1 . 2]" 1
1033 1 53 TRP HA 1 54 PRO HG3 . . 4.400 4.208 4.202 4.216 . 0 0 "[ . 1 . 2]" 1
1034 1 53 TRP HB2 1 53 TRP HE3 . . 3.820 2.436 2.401 2.549 . 0 0 "[ . 1 . 2]" 1
1035 1 53 TRP HB2 1 54 PRO HD2 . . 4.920 4.283 4.222 4.350 . 0 0 "[ . 1 . 2]" 1
1036 1 53 TRP HB3 1 53 TRP HD1 . . 3.870 3.297 3.250 3.424 . 0 0 "[ . 1 . 2]" 1
1037 1 53 TRP HB3 1 54 PRO HD2 . . 4.580 3.004 2.906 3.109 . 0 0 "[ . 1 . 2]" 1
1038 1 53 TRP HD1 1 54 PRO HD2 . . 4.420 4.244 4.137 4.426 0.006 14 0 "[ . 1 . 2]" 1
1039 1 53 TRP HE3 1 114 TRP HB2 . . 4.540 3.538 3.207 3.765 . 0 0 "[ . 1 . 2]" 1
1040 1 53 TRP HE3 1 114 TRP HB3 . . 4.530 3.581 3.240 3.881 . 0 0 "[ . 1 . 2]" 1
1041 1 53 TRP HH2 1 114 TRP HE3 . . 4.560 3.560 3.016 4.113 . 0 0 "[ . 1 . 2]" 1
1042 1 53 TRP HZ3 1 114 TRP HB2 . . 4.460 3.419 2.972 3.735 . 0 0 "[ . 1 . 2]" 1
1043 1 53 TRP HZ3 1 114 TRP HB3 . . 4.660 4.273 3.906 4.637 . 0 0 "[ . 1 . 2]" 1
1044 1 53 TRP HZ3 1 114 TRP HE3 . . 4.230 2.652 2.081 3.390 . 0 0 "[ . 1 . 2]" 1
1045 1 54 PRO HA 1 55 SER H . . 2.890 2.197 2.163 2.236 . 0 0 "[ . 1 . 2]" 1
1046 1 54 PRO HB2 1 55 SER H . . 3.960 3.438 3.283 3.615 . 0 0 "[ . 1 . 2]" 1
1047 1 54 PRO HB2 1 56 VAL MG1 . . 3.830 2.680 2.639 2.745 . 0 0 "[ . 1 . 2]" 1
1048 1 54 PRO HB3 1 55 SER H . . 4.020 3.822 3.721 3.944 . 0 0 "[ . 1 . 2]" 1
1049 1 54 PRO HB3 1 56 VAL MG1 . . 4.100 4.111 4.075 4.169 0.069 17 0 "[ . 1 . 2]" 1
1050 1 54 PRO HG2 1 56 VAL MG1 . . 4.040 2.863 2.842 2.883 . 0 0 "[ . 1 . 2]" 1
1051 1 54 PRO HG3 1 56 VAL MG1 . . 4.060 4.189 4.176 4.202 0.142 9 0 "[ . 1 . 2]" 1
1052 1 55 SER H 1 55 SER HB2 . . 3.260 3.109 2.864 3.251 . 0 0 "[ . 1 . 2]" 1
1053 1 55 SER H 1 56 VAL H . . 5.040 4.336 4.326 4.355 . 0 0 "[ . 1 . 2]" 1
1054 1 55 SER H 1 56 VAL MG1 . . 5.100 4.122 4.062 4.179 . 0 0 "[ . 1 . 2]" 1
1055 1 55 SER HA 1 56 VAL H . . 2.940 2.242 2.239 2.244 . 0 0 "[ . 1 . 2]" 1
1056 1 55 SER HA 1 56 VAL MG2 . . 4.050 4.048 3.948 4.072 0.022 8 0 "[ . 1 . 2]" 1
1057 1 55 SER HB2 1 70 GLU QB . . 3.990 3.070 2.648 4.115 0.125 17 0 "[ . 1 . 2]" 1
1058 1 55 SER HB3 1 56 VAL H . . 4.040 4.102 3.943 4.703 0.663 3 2 "[ + . 1 . - 2]" 1
1059 1 56 VAL H 1 56 VAL MG1 . . 4.030 2.568 2.427 2.644 . 0 0 "[ . 1 . 2]" 1
1060 1 56 VAL H 1 56 VAL MG2 . . 3.200 2.253 2.133 2.295 . 0 0 "[ . 1 . 2]" 1
1061 1 56 VAL HA 1 56 VAL MG1 . . 3.260 2.377 2.335 2.462 . 0 0 "[ . 1 . 2]" 1
1062 1 56 VAL HA 1 56 VAL MG2 . . 3.650 3.205 3.201 3.215 . 0 0 "[ . 1 . 2]" 1
1063 1 56 VAL HA 1 57 ASN H . . 3.130 2.571 2.443 2.651 . 0 0 "[ . 1 . 2]" 1
1064 1 56 VAL HA 1 67 VAL MG1 . . 4.360 4.315 4.026 4.372 0.012 15 0 "[ . 1 . 2]" 1
1065 1 56 VAL HA 1 69 SER HA . . 3.760 2.957 2.795 3.145 . 0 0 "[ . 1 . 2]" 1
1066 1 56 VAL HA 1 70 GLU H . . 3.560 3.164 2.573 3.459 . 0 0 "[ . 1 . 2]" 1
1067 1 56 VAL HA 1 70 GLU QB . . 4.360 3.216 2.830 3.597 . 0 0 "[ . 1 . 2]" 1
1068 1 56 VAL HB 1 57 ASN H . . 3.300 2.361 2.232 2.580 . 0 0 "[ . 1 . 2]" 1
1069 1 56 VAL HB 1 67 VAL MG1 . . 3.300 2.404 2.097 2.489 . 0 0 "[ . 1 . 2]" 1
1070 1 56 VAL HB 1 68 ILE H . . 4.750 4.527 4.138 4.719 . 0 0 "[ . 1 . 2]" 1
1071 1 56 VAL HB 1 69 SER HA . . 4.350 3.147 2.936 3.463 . 0 0 "[ . 1 . 2]" 1
1072 1 56 VAL MG1 1 57 ASN H . . 3.860 3.847 3.795 3.897 0.037 17 0 "[ . 1 . 2]" 1
1073 1 56 VAL MG1 1 69 SER HA . . 3.500 3.168 2.901 3.326 . 0 0 "[ . 1 . 2]" 1
1074 1 56 VAL MG1 1 69 SER HB2 . . 4.560 4.414 4.170 4.562 0.002 4 0 "[ . 1 . 2]" 1
1075 1 56 VAL MG1 1 70 GLU H . . 4.030 3.926 3.665 4.050 0.020 10 0 "[ . 1 . 2]" 1
1076 1 56 VAL MG2 1 57 ASN H . . 3.760 3.071 2.920 3.358 . 0 0 "[ . 1 . 2]" 1
1077 1 56 VAL MG2 1 57 ASN HA . . 4.540 3.616 3.513 3.750 . 0 0 "[ . 1 . 2]" 1
1078 1 56 VAL MG2 1 58 MET H . . 4.680 4.502 4.378 4.674 . 0 0 "[ . 1 . 2]" 1
1079 1 56 VAL MG2 1 58 MET HA . . 4.900 4.452 4.356 4.556 . 0 0 "[ . 1 . 2]" 1
1080 1 56 VAL MG2 1 113 PHE QD . . 3.910 2.981 2.857 3.149 . 0 0 "[ . 1 . 2]" 1
1081 1 56 VAL MG2 1 113 PHE QE . . 3.780 2.802 2.495 3.070 . 0 0 "[ . 1 . 2]" 1
1082 1 57 ASN H 1 57 ASN HB2 . . 3.620 2.433 2.377 2.490 . 0 0 "[ . 1 . 2]" 1
1083 1 57 ASN H 1 57 ASN HB3 . . 3.770 3.619 3.581 3.648 . 0 0 "[ . 1 . 2]" 1
1084 1 57 ASN H 1 57 ASN HD21 . . 5.010 3.650 2.974 4.057 . 0 0 "[ . 1 . 2]" 1
1085 1 57 ASN H 1 58 MET H . . 5.130 4.465 4.418 4.502 . 0 0 "[ . 1 . 2]" 1
1086 1 57 ASN H 1 67 VAL MG1 . . 4.650 3.226 3.041 3.425 . 0 0 "[ . 1 . 2]" 1
1087 1 57 ASN H 1 68 ILE HB . . 4.820 4.126 3.859 4.287 . 0 0 "[ . 1 . 2]" 1
1088 1 57 ASN H 1 68 ILE MG . . 5.110 4.459 4.226 4.653 . 0 0 "[ . 1 . 2]" 1
1089 1 57 ASN H 1 69 SER HA . . 4.520 3.384 3.216 3.507 . 0 0 "[ . 1 . 2]" 1
1090 1 57 ASN H 1 70 GLU H . . 4.980 4.593 4.182 4.887 . 0 0 "[ . 1 . 2]" 1
1091 1 57 ASN HA 1 58 MET H . . 2.970 2.342 2.293 2.414 . 0 0 "[ . 1 . 2]" 1
1092 1 57 ASN HA 1 58 MET HB2 . . 5.070 4.347 4.220 4.469 . 0 0 "[ . 1 . 2]" 1
1093 1 57 ASN HA 1 58 MET HB3 . . 4.890 4.742 4.584 4.939 0.049 18 0 "[ . 1 . 2]" 1
1094 1 57 ASN HB2 1 58 MET H . . 4.640 4.171 4.019 4.307 . 0 0 "[ . 1 . 2]" 1
1095 1 57 ASN HB2 1 68 ILE HB . . 3.750 2.738 2.683 2.794 . 0 0 "[ . 1 . 2]" 1
1096 1 57 ASN HB2 1 68 ILE MD . . 4.870 4.593 4.369 4.737 . 0 0 "[ . 1 . 2]" 1
1097 1 57 ASN HB2 1 68 ILE HG13 . . 4.780 4.785 4.754 4.813 0.033 3 0 "[ . 1 . 2]" 1
1098 1 57 ASN HB2 1 68 ILE MG . . 4.450 3.491 3.379 3.619 . 0 0 "[ . 1 . 2]" 1
1099 1 57 ASN HB3 1 58 MET H . . 4.350 3.024 2.778 3.231 . 0 0 "[ . 1 . 2]" 1
1100 1 57 ASN HB3 1 68 ILE HB . . 4.160 3.590 3.504 3.687 . 0 0 "[ . 1 . 2]" 1
1101 1 57 ASN HB3 1 68 ILE MG . . 4.570 4.577 4.557 4.586 0.016 20 0 "[ . 1 . 2]" 1
1102 1 57 ASN HD21 1 68 ILE MG . . 4.800 3.572 3.401 3.727 . 0 0 "[ . 1 . 2]" 1
1103 1 57 ASN HD21 1 70 GLU HA . . 4.130 2.342 2.190 2.433 . 0 0 "[ . 1 . 2]" 1
1104 1 57 ASN HD21 1 70 GLU HG3 . . 4.820 4.772 4.577 4.827 0.007 3 0 "[ . 1 . 2]" 1
1105 1 57 ASN HD22 1 68 ILE MG . . 5.090 4.997 4.843 5.095 0.005 16 0 "[ . 1 . 2]" 1
1106 1 57 ASN HD22 1 70 GLU HA . . 4.080 2.214 1.972 2.421 . 0 0 "[ . 1 . 2]" 1
1107 1 57 ASN HD22 1 70 GLU HG3 . . 4.110 3.616 3.459 3.834 . 0 0 "[ . 1 . 2]" 1
1108 1 58 MET H 1 58 MET HB2 . . 3.980 2.716 2.525 2.958 . 0 0 "[ . 1 . 2]" 1
1109 1 58 MET H 1 58 MET HB3 . . 3.870 2.541 2.416 2.690 . 0 0 "[ . 1 . 2]" 1
1110 1 58 MET H 1 58 MET HG3 . . 4.670 4.434 4.350 4.598 . 0 0 "[ . 1 . 2]" 1
1111 1 58 MET H 1 59 ASN H . . 4.650 4.210 4.125 4.297 . 0 0 "[ . 1 . 2]" 1
1112 1 58 MET HA 1 58 MET HG3 . . 3.640 2.596 2.423 2.784 . 0 0 "[ . 1 . 2]" 1
1113 1 58 MET HA 1 59 ASN H . . 3.030 2.228 2.215 2.250 . 0 0 "[ . 1 . 2]" 1
1114 1 58 MET HA 1 59 ASN HB2 . . 5.090 4.712 4.600 4.777 . 0 0 "[ . 1 . 2]" 1
1115 1 58 MET HA 1 59 ASN HB3 . . 4.720 4.596 4.540 4.724 0.004 16 0 "[ . 1 . 2]" 1
1116 1 58 MET HA 1 67 VAL HA . . 3.430 2.416 2.226 2.555 . 0 0 "[ . 1 . 2]" 1
1117 1 58 MET HA 1 67 VAL MG1 . . 4.370 3.535 3.404 3.630 . 0 0 "[ . 1 . 2]" 1
1118 1 58 MET HA 1 67 VAL MG2 . . 3.750 3.186 2.945 3.387 . 0 0 "[ . 1 . 2]" 1
1119 1 58 MET HA 1 68 ILE H . . 4.380 3.346 3.228 3.472 . 0 0 "[ . 1 . 2]" 1
1120 1 58 MET HB2 1 58 MET ME . . 3.740 2.246 1.898 2.470 . 0 0 "[ . 1 . 2]" 1
1121 1 58 MET HB2 1 59 ASN H . . 4.810 4.597 4.521 4.667 . 0 0 "[ . 1 . 2]" 1
1122 1 58 MET HB3 1 58 MET ME . . 3.950 3.131 2.870 3.468 . 0 0 "[ . 1 . 2]" 1
1123 1 58 MET HB3 1 59 ASN H . . 4.930 4.441 4.364 4.500 . 0 0 "[ . 1 . 2]" 1
1124 1 58 MET HB3 1 122 VAL MG2 . . 4.710 3.549 3.299 3.825 . 0 0 "[ . 1 . 2]" 1
1125 1 58 MET ME 1 58 MET HG2 . . 3.750 2.530 2.145 3.362 . 0 0 "[ . 1 . 2]" 1
1126 1 58 MET ME 1 97 PHE QD . . 3.030 2.245 1.932 2.627 . 0 0 "[ . 1 . 2]" 1
1127 1 58 MET ME 1 97 PHE QE . . 3.090 2.172 1.972 2.558 . 0 0 "[ . 1 . 2]" 1
1128 1 58 MET ME 1 113 PHE H . . 5.210 5.024 4.795 5.239 0.029 17 0 "[ . 1 . 2]" 1
1129 1 58 MET ME 1 113 PHE HB2 . . 4.750 2.945 2.630 3.192 . 0 0 "[ . 1 . 2]" 1
1130 1 58 MET ME 1 113 PHE HB3 . . 4.630 3.050 2.651 3.319 . 0 0 "[ . 1 . 2]" 1
1131 1 58 MET ME 1 113 PHE QD . . 3.460 2.678 2.440 2.877 . 0 0 "[ . 1 . 2]" 1
1132 1 58 MET ME 1 113 PHE HZ . . 4.390 4.179 3.834 4.392 0.002 5 0 "[ . 1 . 2]" 1
1133 1 58 MET ME 1 122 VAL MG1 . . 3.000 2.551 2.331 2.937 . 0 0 "[ . 1 . 2]" 1
1134 1 58 MET ME 1 122 VAL MG2 . . 3.860 3.643 3.286 3.876 0.016 11 0 "[ . 1 . 2]" 1
1135 1 58 MET HG2 1 122 VAL MG2 . . 4.500 4.088 3.708 4.507 0.007 11 0 "[ . 1 . 2]" 1
1136 1 58 MET HG3 1 59 ASN H . . 4.100 3.379 3.217 3.763 . 0 0 "[ . 1 . 2]" 1
1137 1 58 MET HG3 1 65 VAL MG1 . . 3.510 2.706 2.224 3.066 . 0 0 "[ . 1 . 2]" 1
1138 1 58 MET HG3 1 66 THR H . . 4.840 4.293 4.034 4.690 . 0 0 "[ . 1 . 2]" 1
1139 1 59 ASN H 1 59 ASN HB2 . . 3.820 2.646 2.503 2.730 . 0 0 "[ . 1 . 2]" 1
1140 1 59 ASN H 1 59 ASN HB3 . . 3.540 2.395 2.346 2.523 . 0 0 "[ . 1 . 2]" 1
1141 1 59 ASN H 1 59 ASN HD21 . . 5.080 4.745 4.634 4.809 . 0 0 "[ . 1 . 2]" 1
1142 1 59 ASN H 1 60 VAL H . . 4.990 4.590 4.515 4.615 . 0 0 "[ . 1 . 2]" 1
1143 1 59 ASN H 1 65 VAL MG1 . . 4.480 4.468 4.363 4.504 0.024 16 0 "[ . 1 . 2]" 1
1144 1 59 ASN H 1 66 THR H . . 4.050 3.408 3.315 3.574 . 0 0 "[ . 1 . 2]" 1
1145 1 59 ASN H 1 66 THR HB . . 4.220 3.923 3.827 4.059 . 0 0 "[ . 1 . 2]" 1
1146 1 59 ASN H 1 67 VAL HA . . 4.150 2.990 2.910 3.067 . 0 0 "[ . 1 . 2]" 1
1147 1 59 ASN H 1 67 VAL MG1 . . 4.740 4.745 4.697 4.768 0.028 17 0 "[ . 1 . 2]" 1
1148 1 59 ASN H 1 67 VAL MG2 . . 4.260 4.156 4.066 4.244 . 0 0 "[ . 1 . 2]" 1
1149 1 59 ASN HA 1 60 VAL H . . 2.940 2.307 2.264 2.343 . 0 0 "[ . 1 . 2]" 1
1150 1 59 ASN HA 1 60 VAL HB . . 4.840 4.509 4.412 4.601 . 0 0 "[ . 1 . 2]" 1
1151 1 59 ASN HA 1 60 VAL MG2 . . 4.240 3.610 3.343 3.898 . 0 0 "[ . 1 . 2]" 1
1152 1 59 ASN HB2 1 60 VAL H . . 4.280 4.203 4.159 4.311 0.031 10 0 "[ . 1 . 2]" 1
1153 1 59 ASN HB2 1 66 THR H . . 4.470 4.370 4.263 4.539 0.069 10 0 "[ . 1 . 2]" 1
1154 1 59 ASN HB2 1 66 THR HB . . 3.850 3.544 3.357 3.788 . 0 0 "[ . 1 . 2]" 1
1155 1 59 ASN HB2 1 66 THR MG . . 4.880 4.250 3.972 4.564 . 0 0 "[ . 1 . 2]" 1
1156 1 59 ASN HB2 1 68 ILE MD . . 4.370 2.632 2.347 3.015 . 0 0 "[ . 1 . 2]" 1
1157 1 59 ASN HB2 1 68 ILE HG13 . . 4.770 2.549 2.285 3.123 . 0 0 "[ . 1 . 2]" 1
1158 1 59 ASN HB3 1 60 VAL H . . 4.550 4.147 3.948 4.325 . 0 0 "[ . 1 . 2]" 1
1159 1 59 ASN HB3 1 66 THR H . . 4.270 2.690 2.570 2.887 . 0 0 "[ . 1 . 2]" 1
1160 1 59 ASN HB3 1 66 THR HA . . 4.990 4.364 4.263 4.568 . 0 0 "[ . 1 . 2]" 1
1161 1 59 ASN HB3 1 66 THR HB . . 3.410 2.082 1.994 2.268 . 0 0 "[ . 1 . 2]" 1
1162 1 59 ASN HB3 1 66 THR MG . . 4.900 3.484 3.311 3.672 . 0 0 "[ . 1 . 2]" 1
1163 1 59 ASN HB3 1 68 ILE MD . . 4.430 3.353 3.044 3.695 . 0 0 "[ . 1 . 2]" 1
1164 1 59 ASN HB3 1 68 ILE HG13 . . 4.860 2.964 2.810 3.251 . 0 0 "[ . 1 . 2]" 1
1165 1 59 ASN HD21 1 61 ALA MB . . 4.880 4.760 4.408 4.900 0.020 17 0 "[ . 1 . 2]" 1
1166 1 59 ASN HD21 1 66 THR HB . . 4.840 4.171 3.962 4.500 . 0 0 "[ . 1 . 2]" 1
1167 1 59 ASN HD21 1 66 THR MG . . 4.730 4.586 4.396 4.743 0.013 17 0 "[ . 1 . 2]" 1
1168 1 59 ASN HD21 1 68 ILE MD . . 4.040 2.096 1.915 2.404 . 0 0 "[ . 1 . 2]" 1
1169 1 59 ASN HD21 1 68 ILE HG13 . . 4.860 3.601 3.371 4.030 . 0 0 "[ . 1 . 2]" 1
1170 1 59 ASN HD21 1 68 ILE MG . . 5.010 4.653 4.491 4.895 . 0 0 "[ . 1 . 2]" 1
1171 1 59 ASN HD22 1 61 ALA MB . . 4.700 3.462 3.110 3.646 . 0 0 "[ . 1 . 2]" 1
1172 1 59 ASN HD22 1 68 ILE MD . . 3.960 3.427 3.274 3.718 . 0 0 "[ . 1 . 2]" 1
1173 1 60 VAL H 1 60 VAL HB . . 3.690 2.673 2.460 2.729 . 0 0 "[ . 1 . 2]" 1
1174 1 60 VAL H 1 60 VAL MG1 . . 4.260 3.837 3.733 3.885 . 0 0 "[ . 1 . 2]" 1
1175 1 60 VAL H 1 60 VAL MG2 . . 3.520 2.976 2.770 3.080 . 0 0 "[ . 1 . 2]" 1
1176 1 60 VAL H 1 61 ALA H . . 4.880 3.999 3.844 4.103 . 0 0 "[ . 1 . 2]" 1
1177 1 60 VAL H 1 61 ALA MB . . 4.690 3.780 3.584 4.019 . 0 0 "[ . 1 . 2]" 1
1178 1 60 VAL HA 1 60 VAL MG1 . . 3.250 2.454 2.274 2.517 . 0 0 "[ . 1 . 2]" 1
1179 1 60 VAL HA 1 60 VAL MG2 . . 3.400 2.333 2.254 2.443 . 0 0 "[ . 1 . 2]" 1
1180 1 60 VAL HA 1 61 ALA H . . 2.980 2.202 2.183 2.251 . 0 0 "[ . 1 . 2]" 1
1181 1 60 VAL HA 1 61 ALA MB . . 4.180 4.038 3.962 4.128 . 0 0 "[ . 1 . 2]" 1
1182 1 60 VAL HA 1 65 VAL HA . . 3.610 2.979 2.842 3.128 . 0 0 "[ . 1 . 2]" 1
1183 1 60 VAL HA 1 66 THR H . . 4.460 3.743 3.565 3.871 . 0 0 "[ . 1 . 2]" 1
1184 1 60 VAL HB 1 61 ALA H . . 4.970 4.492 4.434 4.595 . 0 0 "[ . 1 . 2]" 1
1185 1 60 VAL HB 1 125 ALA MB . . 4.370 3.352 3.073 3.593 . 0 0 "[ . 1 . 2]" 1
1186 1 60 VAL MG1 1 61 ALA H . . 3.690 3.135 2.890 3.413 . 0 0 "[ . 1 . 2]" 1
1187 1 60 VAL MG1 1 61 ALA HA . . 3.960 3.472 3.284 3.720 . 0 0 "[ . 1 . 2]" 1
1188 1 60 VAL MG1 1 125 ALA MB . . 3.220 2.503 1.989 3.040 . 0 0 "[ . 1 . 2]" 1
1189 1 60 VAL MG1 1 126 VAL HA . . 3.480 2.695 2.184 3.046 . 0 0 "[ . 1 . 2]" 1
1190 1 60 VAL MG2 1 61 ALA H . . 4.400 4.193 4.112 4.301 . 0 0 "[ . 1 . 2]" 1
1191 1 60 VAL MG2 1 65 VAL HA . . 4.140 2.977 2.577 3.204 . 0 0 "[ . 1 . 2]" 1
1192 1 60 VAL MG2 1 66 THR H . . 4.380 3.975 3.684 4.180 . 0 0 "[ . 1 . 2]" 1
1193 1 60 VAL MG2 1 125 ALA MB . . 3.540 2.791 2.434 3.253 . 0 0 "[ . 1 . 2]" 1
1194 1 60 VAL MG2 1 126 VAL H . . 4.770 4.192 3.796 4.650 . 0 0 "[ . 1 . 2]" 1
1195 1 60 VAL MG2 1 126 VAL HA . . 4.210 3.352 2.498 3.965 . 0 0 "[ . 1 . 2]" 1
1196 1 61 ALA H 1 61 ALA MB . . 3.280 2.722 2.547 2.869 . 0 0 "[ . 1 . 2]" 1
1197 1 61 ALA H 1 62 ASP H . . 5.000 4.358 4.327 4.410 . 0 0 "[ . 1 . 2]" 1
1198 1 61 ALA H 1 64 THR H . . 4.110 2.578 2.465 2.831 . 0 0 "[ . 1 . 2]" 1
1199 1 61 ALA H 1 64 THR HB . . 4.710 3.470 3.294 3.711 . 0 0 "[ . 1 . 2]" 1
1200 1 61 ALA H 1 65 VAL MG2 . . 4.710 4.616 4.385 4.759 0.049 13 0 "[ . 1 . 2]" 1
1201 1 61 ALA MB 1 62 ASP H . . 3.350 2.498 2.325 2.932 . 0 0 "[ . 1 . 2]" 1
1202 1 61 ALA MB 1 62 ASP HA . . 4.300 4.184 4.096 4.359 0.059 17 0 "[ . 1 . 2]" 1
1203 1 61 ALA MB 1 62 ASP HB2 . . 4.230 3.217 3.089 3.345 . 0 0 "[ . 1 . 2]" 1
1204 1 61 ALA MB 1 62 ASP HB3 . . 4.220 4.104 3.908 4.374 0.154 13 0 "[ . 1 . 2]" 1
1205 1 61 ALA MB 1 63 ALA H . . 4.440 4.300 4.200 4.455 0.015 10 0 "[ . 1 . 2]" 1
1206 1 61 ALA MB 1 64 THR H . . 4.390 4.379 4.251 4.422 0.032 8 0 "[ . 1 . 2]" 1
1207 1 61 ALA MB 1 64 THR HB . . 4.440 4.336 4.193 4.469 0.029 13 0 "[ . 1 . 2]" 1
1208 1 62 ASP H 1 62 ASP HB3 . . 4.140 3.749 3.687 3.961 . 0 0 "[ . 1 . 2]" 1
1209 1 62 ASP H 1 63 ALA H . . 4.560 3.023 2.890 3.936 . 0 0 "[ . 1 . 2]" 1
1210 1 62 ASP HA 1 64 THR H . . 5.040 5.003 4.844 5.243 0.203 17 0 "[ . 1 . 2]" 1
1211 1 62 ASP HB2 1 63 ALA H . . 4.680 4.385 2.875 4.603 . 0 0 "[ . 1 . 2]" 1
1212 1 62 ASP HB2 1 64 THR HB . . 4.750 4.449 4.311 4.789 0.039 17 0 "[ . 1 . 2]" 1
1213 1 62 ASP HB3 1 63 ALA H . . 4.630 3.958 1.874 4.263 . 0 0 "[ . 1 . 2]" 1
1214 1 62 ASP HB3 1 64 THR HB . . 4.760 3.304 3.069 4.255 . 0 0 "[ . 1 . 2]" 1
1215 1 63 ALA H 1 63 ALA MB . . 3.480 2.779 2.711 2.929 . 0 0 "[ . 1 . 2]" 1
1216 1 63 ALA H 1 64 THR H . . 3.730 2.799 1.850 2.968 . 0 0 "[ . 1 . 2]" 1
1217 1 63 ALA HA 1 82 VAL MG1 . . 4.050 2.655 2.528 2.803 . 0 0 "[ . 1 . 2]" 1
1218 1 63 ALA HA 1 82 VAL MG2 . . 3.640 3.038 2.615 3.544 . 0 0 "[ . 1 . 2]" 1
1219 1 63 ALA MB 1 64 THR H . . 3.850 3.783 3.729 3.791 . 0 0 "[ . 1 . 2]" 1
1220 1 63 ALA MB 1 82 VAL H . . 3.990 3.941 3.698 4.001 0.011 18 0 "[ . 1 . 2]" 1
1221 1 63 ALA MB 1 82 VAL MG2 . . 3.100 1.813 1.754 1.949 . 0 0 "[ . 1 . 2]" 1
1222 1 64 THR H 1 64 THR HB . . 3.510 2.746 2.569 2.809 . 0 0 "[ . 1 . 2]" 1
1223 1 64 THR H 1 64 THR MG . . 4.170 3.882 3.814 3.918 . 0 0 "[ . 1 . 2]" 1
1224 1 64 THR H 1 65 VAL H . . 5.020 4.407 4.384 4.467 . 0 0 "[ . 1 . 2]" 1
1225 1 64 THR HA 1 64 THR MG . . 3.110 2.477 2.351 2.555 . 0 0 "[ . 1 . 2]" 1
1226 1 64 THR HA 1 65 VAL H . . 3.050 2.349 2.298 2.401 . 0 0 "[ . 1 . 2]" 1
1227 1 64 THR HA 1 65 VAL HB . . 4.520 4.166 4.118 4.203 . 0 0 "[ . 1 . 2]" 1
1228 1 64 THR HA 1 65 VAL MG2 . . 4.250 3.919 3.858 3.971 . 0 0 "[ . 1 . 2]" 1
1229 1 64 THR HA 1 81 ARG HA . . 3.280 2.155 2.035 2.256 . 0 0 "[ . 1 . 2]" 1
1230 1 64 THR HA 1 82 VAL H . . 3.740 2.383 2.094 2.932 . 0 0 "[ . 1 . 2]" 1
1231 1 64 THR HA 1 82 VAL HA . . 4.690 4.704 4.625 4.832 0.142 13 0 "[ . 1 . 2]" 1
1232 1 64 THR HA 1 82 VAL MG1 . . 4.110 2.585 2.444 2.721 . 0 0 "[ . 1 . 2]" 1
1233 1 64 THR HA 1 82 VAL MG2 . . 4.240 3.650 3.480 3.893 . 0 0 "[ . 1 . 2]" 1
1234 1 64 THR HB 1 65 VAL H . . 3.950 3.961 3.931 4.057 0.107 17 0 "[ . 1 . 2]" 1
1235 1 64 THR MG 1 65 VAL H . . 3.310 2.076 1.914 2.158 . 0 0 "[ . 1 . 2]" 1
1236 1 64 THR MG 1 66 THR H . . 4.550 3.612 3.279 3.776 . 0 0 "[ . 1 . 2]" 1
1237 1 64 THR MG 1 66 THR HA . . 4.480 4.032 3.956 4.120 . 0 0 "[ . 1 . 2]" 1
1238 1 64 THR MG 1 79 GLU HA . . 4.410 4.182 4.012 4.412 0.002 7 0 "[ . 1 . 2]" 1
1239 1 64 THR MG 1 79 GLU HG2 . . 3.420 3.262 2.712 3.984 0.564 4 1 "[ +. 1 . 2]" 1
1240 1 64 THR MG 1 79 GLU HG3 . . 4.000 3.325 2.916 3.835 . 0 0 "[ . 1 . 2]" 1
1241 1 64 THR MG 1 80 CYS H . . 3.720 3.582 3.180 3.752 0.032 17 0 "[ . 1 . 2]" 1
1242 1 64 THR MG 1 81 ARG H . . 4.410 3.967 3.868 4.198 . 0 0 "[ . 1 . 2]" 1
1243 1 64 THR MG 1 81 ARG QD . . 4.050 3.604 3.399 3.785 . 0 0 "[ . 1 . 2]" 1
1244 1 64 THR MG 1 81 ARG HG2 . . 4.240 2.026 1.937 2.361 . 0 0 "[ . 1 . 2]" 1
1245 1 64 THR MG 1 81 ARG HG3 . . 4.070 2.100 1.940 2.591 . 0 0 "[ . 1 . 2]" 1
1246 1 64 THR MG 1 82 VAL H . . 4.230 3.848 3.687 4.260 0.030 14 0 "[ . 1 . 2]" 1
1247 1 65 VAL H 1 65 VAL HB . . 3.560 2.417 2.373 2.505 . 0 0 "[ . 1 . 2]" 1
1248 1 65 VAL H 1 65 VAL MG1 . . 3.550 3.600 3.576 3.640 0.090 18 0 "[ . 1 . 2]" 1
1249 1 65 VAL H 1 65 VAL MG2 . . 3.760 3.247 3.157 3.337 . 0 0 "[ . 1 . 2]" 1
1250 1 65 VAL H 1 66 THR H . . 4.790 4.034 3.938 4.107 . 0 0 "[ . 1 . 2]" 1
1251 1 65 VAL H 1 80 CYS H . . 3.930 3.615 3.190 3.831 . 0 0 "[ . 1 . 2]" 1
1252 1 65 VAL H 1 80 CYS HB2 . . 4.670 4.215 3.557 4.704 0.034 19 0 "[ . 1 . 2]" 1
1253 1 65 VAL H 1 80 CYS HB3 . . 4.510 3.938 3.217 4.482 . 0 0 "[ . 1 . 2]" 1
1254 1 65 VAL H 1 82 VAL H . . 4.820 3.953 3.580 4.547 . 0 0 "[ . 1 . 2]" 1
1255 1 65 VAL H 1 82 VAL MG1 . . 4.160 3.679 3.429 3.985 . 0 0 "[ . 1 . 2]" 1
1256 1 65 VAL HA 1 65 VAL MG1 . . 3.180 2.611 2.575 2.642 . 0 0 "[ . 1 . 2]" 1
1257 1 65 VAL HA 1 66 THR H . . 3.030 2.220 2.206 2.227 . 0 0 "[ . 1 . 2]" 1
1258 1 65 VAL HB 1 66 THR H . . 5.020 4.630 4.615 4.641 . 0 0 "[ . 1 . 2]" 1
1259 1 65 VAL HB 1 80 CYS H . . 4.480 3.994 3.735 4.303 . 0 0 "[ . 1 . 2]" 1
1260 1 65 VAL HB 1 80 CYS HB2 . . 3.740 3.207 2.353 3.788 0.048 19 0 "[ . 1 . 2]" 1
1261 1 65 VAL HB 1 80 CYS HB3 . . 3.440 2.935 2.066 3.498 0.058 17 0 "[ . 1 . 2]" 1
1262 1 65 VAL HB 1 82 VAL MG1 . . 4.350 3.868 3.552 4.374 0.024 19 0 "[ . 1 . 2]" 1
1263 1 65 VAL HB 1 99 PHE QE . . 5.000 4.457 4.106 4.651 . 0 0 "[ . 1 . 2]" 1
1264 1 65 VAL HB 1 99 PHE HZ . . 4.950 4.573 4.071 4.953 0.003 13 0 "[ . 1 . 2]" 1
1265 1 65 VAL MG1 1 66 THR H . . 3.620 3.350 3.251 3.404 . 0 0 "[ . 1 . 2]" 1
1266 1 65 VAL MG1 1 66 THR HA . . 4.590 3.669 3.602 3.702 . 0 0 "[ . 1 . 2]" 1
1267 1 65 VAL MG1 1 80 CYS H . . 4.660 3.240 3.089 3.469 . 0 0 "[ . 1 . 2]" 1
1268 1 65 VAL MG1 1 80 CYS HB2 . . 4.360 2.496 2.026 3.183 . 0 0 "[ . 1 . 2]" 1
1269 1 65 VAL MG1 1 80 CYS HB3 . . 4.080 3.103 2.288 3.762 . 0 0 "[ . 1 . 2]" 1
1270 1 65 VAL MG1 1 99 PHE QE . . 3.730 2.515 2.254 2.746 . 0 0 "[ . 1 . 2]" 1
1271 1 65 VAL MG1 1 99 PHE HZ . . 3.940 2.868 2.334 3.458 . 0 0 "[ . 1 . 2]" 1
1272 1 66 THR H 1 66 THR HB . . 3.490 2.534 2.432 2.620 . 0 0 "[ . 1 . 2]" 1
1273 1 66 THR H 1 66 THR MG . . 4.170 3.814 3.769 3.844 . 0 0 "[ . 1 . 2]" 1
1274 1 66 THR H 1 67 VAL H . . 4.960 4.380 4.319 4.464 . 0 0 "[ . 1 . 2]" 1
1275 1 66 THR HA 1 66 THR MG . . 3.150 2.341 2.220 2.495 . 0 0 "[ . 1 . 2]" 1
1276 1 66 THR HA 1 67 VAL H . . 3.030 2.157 2.150 2.185 . 0 0 "[ . 1 . 2]" 1
1277 1 66 THR HA 1 67 VAL HB . . 4.530 4.534 4.489 4.577 0.047 10 0 "[ . 1 . 2]" 1
1278 1 66 THR HA 1 67 VAL MG2 . . 4.090 3.595 3.483 3.692 . 0 0 "[ . 1 . 2]" 1
1279 1 66 THR HA 1 78 VAL MG1 . . 4.600 3.843 3.630 4.122 . 0 0 "[ . 1 . 2]" 1
1280 1 66 THR HA 1 79 GLU HA . . 3.380 2.166 1.999 2.477 . 0 0 "[ . 1 . 2]" 1
1281 1 66 THR HA 1 79 GLU HG2 . . 4.540 4.521 3.852 5.326 0.786 18 6 "[* *.* * - + 2]" 1
1282 1 66 THR HA 1 80 CYS H . . 4.060 2.661 2.454 2.825 . 0 0 "[ . 1 . 2]" 1
1283 1 66 THR HB 1 67 VAL H . . 4.530 4.351 4.256 4.469 . 0 0 "[ . 1 . 2]" 1
1284 1 66 THR HB 1 68 ILE MD . . 3.920 3.690 3.560 3.879 . 0 0 "[ . 1 . 2]" 1
1285 1 66 THR HB 1 68 ILE HG12 . . 4.350 4.182 3.866 4.355 0.005 10 0 "[ . 1 . 2]" 1
1286 1 66 THR HB 1 68 ILE HG13 . . 4.520 3.470 3.362 3.728 . 0 0 "[ . 1 . 2]" 1
1287 1 66 THR HB 1 79 GLU HA . . 4.540 4.549 4.458 4.593 0.053 10 0 "[ . 1 . 2]" 1
1288 1 66 THR MG 1 67 VAL H . . 3.340 2.764 2.495 3.042 . 0 0 "[ . 1 . 2]" 1
1289 1 66 THR MG 1 68 ILE MD . . 3.330 3.145 2.866 3.330 0.000 13 0 "[ . 1 . 2]" 1
1290 1 66 THR MG 1 68 ILE HG12 . . 3.240 2.636 2.355 3.027 . 0 0 "[ . 1 . 2]" 1
1291 1 66 THR MG 1 68 ILE HG13 . . 3.330 2.948 2.684 3.124 . 0 0 "[ . 1 . 2]" 1
1292 1 66 THR MG 1 76 VAL HA . . 4.300 3.309 3.155 3.484 . 0 0 "[ . 1 . 2]" 1
1293 1 66 THR MG 1 76 VAL QG . . 2.950 1.671 1.602 1.734 . 0 0 "[ . 1 . 2]" 1
1294 1 66 THR MG 1 78 VAL H . . 4.590 3.864 3.680 4.016 . 0 0 "[ . 1 . 2]" 1
1295 1 66 THR MG 1 79 GLU H . . 4.710 4.500 4.353 4.710 0.000 16 0 "[ . 1 . 2]" 1
1296 1 66 THR MG 1 79 GLU HA . . 3.390 2.578 2.329 2.830 . 0 0 "[ . 1 . 2]" 1
1297 1 66 THR MG 1 79 GLU HB2 . . 4.400 2.725 2.461 3.326 . 0 0 "[ . 1 . 2]" 1
1298 1 66 THR MG 1 79 GLU HB3 . . 4.700 4.104 3.883 4.634 . 0 0 "[ . 1 . 2]" 1
1299 1 66 THR MG 1 79 GLU HG2 . . 4.140 3.836 3.477 4.321 0.181 18 0 "[ . 1 . 2]" 1
1300 1 66 THR MG 1 79 GLU HG3 . . 4.480 2.656 2.179 3.083 . 0 0 "[ . 1 . 2]" 1
1301 1 66 THR MG 1 80 CYS H . . 4.280 4.125 3.940 4.287 0.007 2 0 "[ . 1 . 2]" 1
1302 1 67 VAL H 1 67 VAL HB . . 3.620 2.404 2.360 2.438 . 0 0 "[ . 1 . 2]" 1
1303 1 67 VAL H 1 67 VAL MG1 . . 4.580 3.733 3.717 3.746 . 0 0 "[ . 1 . 2]" 1
1304 1 67 VAL H 1 67 VAL MG2 . . 3.340 2.401 2.276 2.544 . 0 0 "[ . 1 . 2]" 1
1305 1 67 VAL H 1 78 VAL H . . 4.190 2.884 2.687 2.989 . 0 0 "[ . 1 . 2]" 1
1306 1 67 VAL H 1 78 VAL HB . . 4.170 3.353 3.252 3.436 . 0 0 "[ . 1 . 2]" 1
1307 1 67 VAL H 1 78 VAL MG1 . . 4.180 3.238 3.033 3.475 . 0 0 "[ . 1 . 2]" 1
1308 1 67 VAL HA 1 67 VAL MG1 . . 3.280 2.320 2.282 2.367 . 0 0 "[ . 1 . 2]" 1
1309 1 67 VAL HA 1 67 VAL MG2 . . 3.190 2.348 2.288 2.428 . 0 0 "[ . 1 . 2]" 1
1310 1 67 VAL HA 1 68 ILE H . . 3.060 2.206 2.186 2.222 . 0 0 "[ . 1 . 2]" 1
1311 1 67 VAL HB 1 77 LEU HB2 . . 4.280 2.904 2.726 3.055 . 0 0 "[ . 1 . 2]" 1
1312 1 67 VAL HB 1 77 LEU HB3 . . 4.170 4.081 3.877 4.179 0.009 18 0 "[ . 1 . 2]" 1
1313 1 67 VAL HB 1 78 VAL H . . 3.870 2.107 1.947 2.338 . 0 0 "[ . 1 . 2]" 1
1314 1 67 VAL HB 1 78 VAL HB . . 3.380 2.046 1.996 2.140 . 0 0 "[ . 1 . 2]" 1
1315 1 67 VAL HB 1 78 VAL MG1 . . 3.490 3.405 3.330 3.503 0.013 10 0 "[ . 1 . 2]" 1
1316 1 67 VAL HB 1 78 VAL MG2 . . 3.540 3.520 3.421 3.561 0.021 2 0 "[ . 1 . 2]" 1
1317 1 67 VAL MG1 1 68 ILE H . . 3.380 3.190 2.980 3.307 . 0 0 "[ . 1 . 2]" 1
1318 1 67 VAL MG1 1 77 LEU HB2 . . 3.600 2.210 2.023 2.377 . 0 0 "[ . 1 . 2]" 1
1319 1 67 VAL MG1 1 77 LEU HB3 . . 3.950 3.384 3.064 3.595 . 0 0 "[ . 1 . 2]" 1
1320 1 67 VAL MG1 1 77 LEU MD1 . . 3.030 2.176 2.066 2.417 . 0 0 "[ . 1 . 2]" 1
1321 1 67 VAL MG1 1 78 VAL H . . 4.420 3.310 3.151 3.442 . 0 0 "[ . 1 . 2]" 1
1322 1 67 VAL MG1 1 113 PHE QD . . 4.700 3.816 3.585 3.968 . 0 0 "[ . 1 . 2]" 1
1323 1 67 VAL MG1 1 113 PHE QE . . 3.500 2.237 2.045 2.481 . 0 0 "[ . 1 . 2]" 1
1324 1 67 VAL MG1 1 113 PHE HZ . . 4.090 3.426 3.289 3.596 . 0 0 "[ . 1 . 2]" 1
1325 1 67 VAL MG2 1 78 VAL HB . . 3.280 2.356 2.131 2.563 . 0 0 "[ . 1 . 2]" 1
1326 1 67 VAL MG2 1 78 VAL MG1 . . 3.260 2.490 2.304 2.851 . 0 0 "[ . 1 . 2]" 1
1327 1 67 VAL MG2 1 113 PHE QD . . 4.540 3.975 3.821 4.130 . 0 0 "[ . 1 . 2]" 1
1328 1 67 VAL MG2 1 113 PHE QE . . 3.300 2.596 2.286 2.842 . 0 0 "[ . 1 . 2]" 1
1329 1 67 VAL MG2 1 113 PHE HZ . . 3.130 2.212 1.989 2.476 . 0 0 "[ . 1 . 2]" 1
1330 1 68 ILE H 1 68 ILE HB . . 3.360 2.447 2.367 2.482 . 0 0 "[ . 1 . 2]" 1
1331 1 68 ILE H 1 68 ILE MD . . 3.960 3.967 3.905 3.999 0.039 17 0 "[ . 1 . 2]" 1
1332 1 68 ILE H 1 68 ILE HG12 . . 4.000 3.478 3.303 3.713 . 0 0 "[ . 1 . 2]" 1
1333 1 68 ILE H 1 68 ILE HG13 . . 3.840 2.556 2.462 2.671 . 0 0 "[ . 1 . 2]" 1
1334 1 68 ILE H 1 68 ILE MG . . 4.020 3.757 3.717 3.774 . 0 0 "[ . 1 . 2]" 1
1335 1 68 ILE HA 1 68 ILE MD . . 3.860 3.703 3.641 3.772 . 0 0 "[ . 1 . 2]" 1
1336 1 68 ILE HA 1 68 ILE HG12 . . 3.730 2.418 2.339 2.458 . 0 0 "[ . 1 . 2]" 1
1337 1 68 ILE HA 1 68 ILE HG13 . . 3.840 3.219 3.105 3.311 . 0 0 "[ . 1 . 2]" 1
1338 1 68 ILE HA 1 68 ILE MG . . 3.170 2.393 2.352 2.452 . 0 0 "[ . 1 . 2]" 1
1339 1 68 ILE HA 1 69 SER H . . 3.090 2.335 2.279 2.424 . 0 0 "[ . 1 . 2]" 1
1340 1 68 ILE HA 1 69 SER HB2 . . 4.810 4.667 4.516 4.818 0.008 8 0 "[ . 1 . 2]" 1
1341 1 68 ILE HA 1 69 SER HB3 . . 4.730 4.606 4.489 4.719 . 0 0 "[ . 1 . 2]" 1
1342 1 68 ILE HA 1 76 VAL HA . . 3.370 2.317 2.190 2.516 . 0 0 "[ . 1 . 2]" 1
1343 1 68 ILE HA 1 76 VAL QG . . 4.130 3.764 3.445 3.955 . 0 0 "[ . 1 . 2]" 1
1344 1 68 ILE HA 1 77 LEU H . . 3.550 2.623 2.355 2.782 . 0 0 "[ . 1 . 2]" 1
1345 1 68 ILE HA 1 77 LEU MD1 . . 4.210 3.568 3.069 4.067 . 0 0 "[ . 1 . 2]" 1
1346 1 68 ILE HA 1 77 LEU HG . . 4.400 4.046 3.721 4.382 . 0 0 "[ . 1 . 2]" 1
1347 1 68 ILE HB 1 68 ILE MD . . 3.340 2.439 2.346 2.507 . 0 0 "[ . 1 . 2]" 1
1348 1 68 ILE HB 1 69 SER H . . 4.340 3.922 3.753 4.025 . 0 0 "[ . 1 . 2]" 1
1349 1 68 ILE HB 1 73 GLU HA . . 4.570 4.483 4.162 4.573 0.003 3 0 "[ . 1 . 2]" 1
1350 1 68 ILE HB 1 76 VAL HA . . 5.070 4.922 4.778 5.082 0.012 12 0 "[ . 1 . 2]" 1
1351 1 68 ILE MD 1 68 ILE MG . . 2.650 1.855 1.834 1.883 . 0 0 "[ . 1 . 2]" 1
1352 1 68 ILE MD 1 69 SER H . . 4.680 4.606 4.363 4.705 0.025 6 0 "[ . 1 . 2]" 1
1353 1 68 ILE MD 1 73 GLU HA . . 4.220 3.537 3.135 4.224 0.004 2 0 "[ . 1 . 2]" 1
1354 1 68 ILE MD 1 76 VAL HA . . 4.070 4.078 4.015 4.109 0.039 10 0 "[ . 1 . 2]" 1
1355 1 68 ILE HG12 1 69 SER H . . 4.820 4.299 4.174 4.378 . 0 0 "[ . 1 . 2]" 1
1356 1 68 ILE HG12 1 76 VAL HA . . 3.590 2.664 2.520 2.861 . 0 0 "[ . 1 . 2]" 1
1357 1 68 ILE HG13 1 76 VAL HA . . 4.530 4.154 3.835 4.463 . 0 0 "[ . 1 . 2]" 1
1358 1 68 ILE MG 1 69 SER H . . 3.380 2.048 1.917 2.252 . 0 0 "[ . 1 . 2]" 1
1359 1 68 ILE MG 1 69 SER HA . . 4.910 3.977 3.836 4.038 . 0 0 "[ . 1 . 2]" 1
1360 1 68 ILE MG 1 69 SER HB2 . . 4.620 4.263 4.149 4.381 . 0 0 "[ . 1 . 2]" 1
1361 1 68 ILE MG 1 69 SER HB3 . . 4.250 3.369 3.199 3.584 . 0 0 "[ . 1 . 2]" 1
1362 1 68 ILE MG 1 73 GLU H . . 5.100 4.230 3.920 4.617 . 0 0 "[ . 1 . 2]" 1
1363 1 68 ILE MG 1 73 GLU HA . . 3.190 2.172 1.867 2.382 . 0 0 "[ . 1 . 2]" 1
1364 1 68 ILE MG 1 73 GLU QG . . 4.190 3.645 3.384 4.024 . 0 0 "[ . 1 . 2]" 1
1365 1 68 ILE MG 1 74 GLU H . . 4.630 3.756 2.212 4.398 . 0 0 "[ . 1 . 2]" 1
1366 1 68 ILE MG 1 74 GLU HA . . 4.290 3.931 2.914 4.288 . 0 0 "[ . 1 . 2]" 1
1367 1 68 ILE MG 1 75 GLU H . . 4.070 3.262 2.475 3.558 . 0 0 "[ . 1 . 2]" 1
1368 1 68 ILE MG 1 75 GLU HB3 . . 4.060 3.601 3.266 4.064 0.004 8 0 "[ . 1 . 2]" 1
1369 1 68 ILE MG 1 76 VAL H . . 4.940 4.552 4.019 4.828 . 0 0 "[ . 1 . 2]" 1
1370 1 68 ILE MG 1 76 VAL HA . . 3.860 3.432 3.236 3.594 . 0 0 "[ . 1 . 2]" 1
1371 1 68 ILE MG 1 77 LEU H . . 4.930 4.299 4.082 4.436 . 0 0 "[ . 1 . 2]" 1
1372 1 69 SER H 1 69 SER HB2 . . 3.410 2.705 2.568 2.901 . 0 0 "[ . 1 . 2]" 1
1373 1 69 SER H 1 69 SER HB3 . . 3.390 2.295 2.181 2.398 . 0 0 "[ . 1 . 2]" 1
1374 1 69 SER H 1 75 GLU H . . 4.870 4.289 3.543 4.708 . 0 0 "[ . 1 . 2]" 1
1375 1 69 SER H 1 75 GLU HB3 . . 4.550 2.901 2.719 3.258 . 0 0 "[ . 1 . 2]" 1
1376 1 69 SER H 1 76 VAL HA . . 4.310 3.828 3.662 4.024 . 0 0 "[ . 1 . 2]" 1
1377 1 69 SER H 1 77 LEU H . . 4.780 3.583 3.336 3.881 . 0 0 "[ . 1 . 2]" 1
1378 1 69 SER H 1 77 LEU MD1 . . 3.970 3.097 2.606 3.451 . 0 0 "[ . 1 . 2]" 1
1379 1 69 SER H 1 77 LEU HG . . 4.230 3.564 3.019 3.981 . 0 0 "[ . 1 . 2]" 1
1380 1 69 SER HA 1 70 GLU H . . 3.080 2.541 2.372 2.666 . 0 0 "[ . 1 . 2]" 1
1381 1 69 SER HA 1 70 GLU QB . . 4.720 4.185 4.124 4.242 . 0 0 "[ . 1 . 2]" 1
1382 1 69 SER HA 1 71 LYS H . . 4.640 4.551 4.342 4.654 0.014 15 0 "[ . 1 . 2]" 1
1383 1 69 SER HA 1 75 GLU HB3 . . 4.820 4.767 4.681 4.844 0.024 20 0 "[ . 1 . 2]" 1
1384 1 69 SER HA 1 77 LEU MD1 . . 2.980 1.986 1.782 2.179 . 0 0 "[ . 1 . 2]" 1
1385 1 69 SER HB2 1 70 GLU H . . 4.210 3.685 3.478 3.983 . 0 0 "[ . 1 . 2]" 1
1386 1 69 SER HB2 1 75 GLU HB3 . . 3.900 2.935 2.653 3.313 . 0 0 "[ . 1 . 2]" 1
1387 1 69 SER HB2 1 75 GLU HG2 . . 4.590 4.057 1.992 5.322 0.732 12 1 "[ . 1 + . 2]" 1
1388 1 69 SER HB2 1 77 LEU MD1 . . 3.470 2.450 2.187 2.703 . 0 0 "[ . 1 . 2]" 1
1389 1 69 SER HB2 1 77 LEU MD2 . . 3.690 3.236 2.716 3.663 . 0 0 "[ . 1 . 2]" 1
1390 1 69 SER HB2 1 77 LEU HG . . 4.390 2.921 2.442 3.438 . 0 0 "[ . 1 . 2]" 1
1391 1 69 SER HB3 1 70 GLU H . . 4.180 3.730 3.579 3.967 . 0 0 "[ . 1 . 2]" 1
1392 1 69 SER HB3 1 72 ASN H . . 4.940 3.706 2.620 4.453 . 0 0 "[ . 1 . 2]" 1
1393 1 69 SER HB3 1 72 ASN HB2 . . 4.920 2.849 2.061 4.797 . 0 0 "[ . 1 . 2]" 1
1394 1 69 SER HB3 1 72 ASN HB3 . . 4.870 3.461 2.496 4.575 . 0 0 "[ . 1 . 2]" 1
1395 1 69 SER HB3 1 75 GLU H . . 4.410 4.195 3.765 4.418 0.008 17 0 "[ . 1 . 2]" 1
1396 1 69 SER HB3 1 75 GLU HB3 . . 3.800 2.325 2.027 2.623 . 0 0 "[ . 1 . 2]" 1
1397 1 69 SER HB3 1 77 LEU MD1 . . 3.770 3.706 3.515 3.786 0.016 20 0 "[ . 1 . 2]" 1
1398 1 69 SER HB3 1 77 LEU HG . . 4.820 4.227 3.695 4.632 . 0 0 "[ . 1 . 2]" 1
1399 1 70 GLU H 1 70 GLU QB . . 3.500 2.115 2.067 2.196 . 0 0 "[ . 1 . 2]" 1
1400 1 70 GLU H 1 70 GLU HG2 . . 3.920 3.973 3.962 3.990 0.070 16 0 "[ . 1 . 2]" 1
1401 1 70 GLU H 1 71 LYS H . . 3.850 2.439 2.244 2.747 . 0 0 "[ . 1 . 2]" 1
1402 1 70 GLU HA 1 70 GLU HG3 . . 3.250 2.849 2.818 2.890 . 0 0 "[ . 1 . 2]" 1
1403 1 70 GLU QB 1 71 LYS H . . 4.240 2.799 2.611 3.000 . 0 0 "[ . 1 . 2]" 1
1404 1 70 GLU HG2 1 71 LYS H . . 4.870 2.980 2.525 3.298 . 0 0 "[ . 1 . 2]" 1
1405 1 70 GLU HG2 1 71 LYS HA . . 4.670 3.204 2.985 3.378 . 0 0 "[ . 1 . 2]" 1
1406 1 71 LYS H 1 71 LYS HB2 . . 3.830 2.325 2.038 3.539 . 0 0 "[ . 1 . 2]" 1
1407 1 71 LYS H 1 71 LYS HB3 . . 3.720 3.270 2.363 3.535 . 0 0 "[ . 1 . 2]" 1
1408 1 71 LYS H 1 71 LYS HG2 . . 4.450 3.793 2.836 4.498 0.048 16 0 "[ . 1 . 2]" 1
1409 1 71 LYS H 1 71 LYS HG3 . . 4.420 3.720 1.994 4.369 . 0 0 "[ . 1 . 2]" 1
1410 1 71 LYS H 1 72 ASN H . . 4.260 3.202 2.680 3.615 . 0 0 "[ . 1 . 2]" 1
1411 1 71 LYS HA 1 71 LYS HD2 . . 4.000 3.575 2.390 4.228 0.228 17 0 "[ . 1 . 2]" 1
1412 1 71 LYS HA 1 71 LYS HG2 . . 3.780 2.911 2.043 4.142 0.362 2 0 "[ . 1 . 2]" 1
1413 1 71 LYS HA 1 71 LYS HG3 . . 4.000 2.847 1.985 3.646 . 0 0 "[ . 1 . 2]" 1
1414 1 71 LYS HB2 1 72 ASN H . . 4.630 3.608 2.101 4.691 0.061 20 0 "[ . 1 . 2]" 1
1415 1 71 LYS HB3 1 72 ASN H . . 4.630 3.555 1.946 4.589 . 0 0 "[ . 1 . 2]" 1
1416 1 71 LYS HE2 1 71 LYS HG2 . . 4.140 2.740 1.984 3.607 . 0 0 "[ . 1 . 2]" 1
1417 1 71 LYS HE3 1 71 LYS HG3 . . 4.280 2.967 2.027 3.993 . 0 0 "[ . 1 . 2]" 1
1418 1 72 ASN H 1 73 GLU H . . 4.960 4.280 3.288 4.673 . 0 0 "[ . 1 . 2]" 1
1419 1 72 ASN HA 1 73 GLU H . . 3.040 2.449 2.253 2.754 . 0 0 "[ . 1 . 2]" 1
1420 1 72 ASN HB2 1 73 GLU H . . 4.640 4.142 3.650 4.674 0.034 14 0 "[ . 1 . 2]" 1
1421 1 72 ASN HB2 1 74 GLU H . . 5.260 4.632 3.662 5.666 0.406 4 0 "[ . 1 . 2]" 1
1422 1 72 ASN HB2 1 75 GLU H . . 4.650 3.735 2.914 4.407 . 0 0 "[ . 1 . 2]" 1
1423 1 72 ASN HB2 1 75 GLU HB2 . . 4.090 2.748 2.008 3.723 . 0 0 "[ . 1 . 2]" 1
1424 1 72 ASN HB2 1 75 GLU HB3 . . 4.190 3.240 2.255 4.212 0.022 13 0 "[ . 1 . 2]" 1
1425 1 72 ASN HB3 1 73 GLU H . . 4.540 3.004 2.362 4.008 . 0 0 "[ . 1 . 2]" 1
1426 1 72 ASN HB3 1 75 GLU HB2 . . 4.270 2.287 1.996 3.353 . 0 0 "[ . 1 . 2]" 1
1427 1 72 ASN HB3 1 75 GLU HB3 . . 4.470 3.109 1.993 4.011 . 0 0 "[ . 1 . 2]" 1
1428 1 72 ASN HD21 1 75 GLU HB2 . . 4.920 3.324 2.423 4.571 . 0 0 "[ . 1 . 2]" 1
1429 1 72 ASN HD22 1 75 GLU HB2 . . 5.050 4.262 3.135 5.061 0.011 18 0 "[ . 1 . 2]" 1
1430 1 73 GLU H 1 73 GLU HB2 . . 3.760 2.572 2.125 3.742 . 0 0 "[ . 1 . 2]" 1
1431 1 73 GLU H 1 73 GLU HB3 . . 3.650 3.530 2.670 3.781 0.131 6 0 "[ . 1 . 2]" 1
1432 1 73 GLU H 1 73 GLU QG . . 3.460 3.151 2.457 3.361 . 0 0 "[ . 1 . 2]" 1
1433 1 73 GLU H 1 74 GLU H . . 3.780 2.296 1.892 3.569 . 0 0 "[ . 1 . 2]" 1
1434 1 73 GLU HA 1 73 GLU QG . . 3.290 2.388 2.163 3.380 0.090 18 0 "[ . 1 . 2]" 1
1435 1 73 GLU HA 1 74 GLU H . . 3.560 3.320 2.474 3.631 0.071 4 0 "[ . 1 . 2]" 1
1436 1 73 GLU HB3 1 74 GLU H . . 4.440 3.970 3.325 4.451 0.011 2 0 "[ . 1 . 2]" 1
1437 1 74 GLU H 1 74 GLU HB2 . . 3.950 2.993 2.060 4.062 0.112 8 0 "[ . 1 . 2]" 1
1438 1 74 GLU H 1 74 GLU HB3 . . 3.590 3.280 2.610 3.678 0.088 8 0 "[ . 1 . 2]" 1
1439 1 74 GLU H 1 74 GLU HG2 . . 3.710 3.127 2.009 4.512 0.802 17 2 "[ . 1 . + -2]" 1
1440 1 74 GLU H 1 74 GLU HG3 . . 5.140 3.200 2.007 4.137 . 0 0 "[ . 1 . 2]" 1
1441 1 74 GLU H 1 75 GLU H . . 3.290 2.260 1.859 2.706 . 0 0 "[ . 1 . 2]" 1
1442 1 74 GLU HA 1 74 GLU HG2 . . 3.590 3.098 2.071 4.157 0.567 20 2 "[ . 1 -. +]" 1
1443 1 74 GLU HA 1 75 GLU H . . 3.520 3.462 3.114 3.610 0.090 2 0 "[ . 1 . 2]" 1
1444 1 74 GLU HA 1 76 VAL QG . . 4.290 4.170 3.668 4.258 . 0 0 "[ . 1 . 2]" 1
1445 1 74 GLU HB2 1 74 GLU HG2 . . 2.990 2.888 2.639 3.020 0.030 7 0 "[ . 1 . 2]" 1
1446 1 75 GLU H 1 75 GLU HB2 . . 3.510 2.241 2.069 3.102 . 0 0 "[ . 1 . 2]" 1
1447 1 75 GLU H 1 75 GLU HB3 . . 3.490 2.871 2.328 3.052 . 0 0 "[ . 1 . 2]" 1
1448 1 75 GLU H 1 75 GLU HG2 . . 4.610 4.476 4.079 4.592 . 0 0 "[ . 1 . 2]" 1
1449 1 75 GLU H 1 75 GLU HG3 . . 4.090 4.105 3.841 4.545 0.455 12 0 "[ . 1 . 2]" 1
1450 1 75 GLU H 1 76 VAL H . . 4.680 4.298 3.743 4.660 . 0 0 "[ . 1 . 2]" 1
1451 1 75 GLU HA 1 75 GLU HG2 . . 3.690 2.831 2.375 3.547 . 0 0 "[ . 1 . 2]" 1
1452 1 75 GLU HA 1 75 GLU HG3 . . 3.570 2.368 2.137 3.570 . 0 0 "[ . 1 . 2]" 1
1453 1 75 GLU HA 1 76 VAL H . . 2.790 2.291 2.203 2.495 . 0 0 "[ . 1 . 2]" 1
1454 1 75 GLU HA 1 76 VAL QG . . 3.880 3.492 3.317 3.764 . 0 0 "[ . 1 . 2]" 1
1455 1 75 GLU HB2 1 76 VAL H . . 4.650 4.611 4.130 4.738 0.088 13 0 "[ . 1 . 2]" 1
1456 1 75 GLU HB3 1 76 VAL H . . 4.480 4.171 3.308 4.627 0.147 15 0 "[ . 1 . 2]" 1
1457 1 75 GLU HG2 1 76 VAL H . . 4.450 3.728 2.178 4.662 0.212 19 0 "[ . 1 . 2]" 1
1458 1 75 GLU HG3 1 76 VAL H . . 4.620 3.979 2.937 4.653 0.033 8 0 "[ . 1 . 2]" 1
1459 1 76 VAL H 1 76 VAL HB . . 3.310 2.880 2.282 3.304 . 0 0 "[ . 1 . 2]" 1
1460 1 76 VAL H 1 76 VAL QG . . 3.070 2.103 1.789 2.967 . 0 0 "[ . 1 . 2]" 1
1461 1 76 VAL H 1 77 LEU H . . 5.300 4.117 3.666 4.435 . 0 0 "[ . 1 . 2]" 1
1462 1 76 VAL HA 1 76 VAL QG . . 3.100 2.362 2.062 2.503 . 0 0 "[ . 1 . 2]" 1
1463 1 76 VAL HA 1 77 LEU H . . 3.020 2.241 2.191 2.269 . 0 0 "[ . 1 . 2]" 1
1464 1 76 VAL HA 1 77 LEU HA . . 4.440 4.447 4.390 4.475 0.035 17 0 "[ . 1 . 2]" 1
1465 1 76 VAL HA 1 77 LEU HB2 . . 4.680 4.492 4.411 4.566 . 0 0 "[ . 1 . 2]" 1
1466 1 76 VAL HA 1 77 LEU HG . . 4.430 4.280 4.026 4.431 0.001 7 0 "[ . 1 . 2]" 1
1467 1 76 VAL HA 1 78 VAL H . . 4.400 3.923 3.641 4.195 . 0 0 "[ . 1 . 2]" 1
1468 1 76 VAL HB 1 77 LEU H . . 4.980 4.452 4.300 4.600 . 0 0 "[ . 1 . 2]" 1
1469 1 76 VAL QG 1 77 LEU H . . 3.570 3.278 3.014 3.380 . 0 0 "[ . 1 . 2]" 1
1470 1 76 VAL QG 1 77 LEU HA . . 4.400 4.065 3.886 4.271 . 0 0 "[ . 1 . 2]" 1
1471 1 76 VAL QG 1 77 LEU HB2 . . 5.220 4.499 4.411 4.599 . 0 0 "[ . 1 . 2]" 1
1472 1 76 VAL QG 1 78 VAL H . . 3.500 2.903 2.685 3.293 . 0 0 "[ . 1 . 2]" 1
1473 1 76 VAL QG 1 78 VAL HA . . 4.090 3.514 3.359 3.776 . 0 0 "[ . 1 . 2]" 1
1474 1 76 VAL QG 1 79 GLU H . . 4.220 3.683 3.544 3.850 . 0 0 "[ . 1 . 2]" 1
1475 1 76 VAL QG 1 79 GLU HA . . 4.480 3.115 2.949 3.309 . 0 0 "[ . 1 . 2]" 1
1476 1 76 VAL QG 1 79 GLU HB2 . . 3.380 2.104 1.970 2.401 . 0 0 "[ . 1 . 2]" 1
1477 1 76 VAL QG 1 79 GLU HG2 . . 4.420 4.229 4.097 4.307 . 0 0 "[ . 1 . 2]" 1
1478 1 76 VAL QG 1 79 GLU HG3 . . 4.350 3.312 3.079 3.716 . 0 0 "[ . 1 . 2]" 1
1479 1 76 VAL QG 1 80 CYS H . . 5.130 4.844 4.686 5.005 . 0 0 "[ . 1 . 2]" 1
1480 1 77 LEU H 1 77 LEU HB2 . . 3.950 2.387 2.329 2.439 . 0 0 "[ . 1 . 2]" 1
1481 1 77 LEU H 1 77 LEU MD1 . . 3.960 3.059 2.814 3.244 . 0 0 "[ . 1 . 2]" 1
1482 1 77 LEU H 1 77 LEU MD2 . . 3.800 3.793 3.712 3.824 0.024 8 0 "[ . 1 . 2]" 1
1483 1 77 LEU H 1 77 LEU HG . . 3.600 2.364 2.287 2.431 . 0 0 "[ . 1 . 2]" 1
1484 1 77 LEU H 1 78 VAL H . . 3.750 2.825 2.573 2.984 . 0 0 "[ . 1 . 2]" 1
1485 1 77 LEU HA 1 77 LEU MD2 . . 3.170 2.434 2.243 2.579 . 0 0 "[ . 1 . 2]" 1
1486 1 77 LEU HA 1 77 LEU HG . . 3.820 2.669 2.612 2.787 . 0 0 "[ . 1 . 2]" 1
1487 1 77 LEU HB2 1 77 LEU MD1 . . 3.590 2.062 1.957 2.225 . 0 0 "[ . 1 . 2]" 1
1488 1 77 LEU HB2 1 77 LEU MD2 . . 3.210 3.144 3.106 3.186 . 0 0 "[ . 1 . 2]" 1
1489 1 77 LEU HB2 1 78 VAL H . . 4.270 2.506 2.257 2.732 . 0 0 "[ . 1 . 2]" 1
1490 1 77 LEU HB2 1 78 VAL MG2 . . 3.830 3.788 3.662 3.851 0.021 2 0 "[ . 1 . 2]" 1
1491 1 77 LEU HB3 1 77 LEU MD1 . . 3.400 2.692 2.602 2.774 . 0 0 "[ . 1 . 2]" 1
1492 1 77 LEU HB3 1 77 LEU MD2 . . 2.990 2.198 2.086 2.280 . 0 0 "[ . 1 . 2]" 1
1493 1 77 LEU HB3 1 78 VAL H . . 4.640 3.452 3.255 3.686 . 0 0 "[ . 1 . 2]" 1
1494 1 77 LEU HB3 1 78 VAL MG2 . . 3.870 3.231 3.121 3.411 . 0 0 "[ . 1 . 2]" 1
1495 1 77 LEU MD1 1 78 VAL H . . 4.650 4.133 3.936 4.326 . 0 0 "[ . 1 . 2]" 1
1496 1 77 LEU HG 1 78 VAL H . . 4.900 4.528 4.445 4.621 . 0 0 "[ . 1 . 2]" 1
1497 1 78 VAL H 1 78 VAL HB . . 4.170 2.580 2.465 2.704 . 0 0 "[ . 1 . 2]" 1
1498 1 78 VAL H 1 78 VAL MG1 . . 4.070 3.674 3.606 3.747 . 0 0 "[ . 1 . 2]" 1
1499 1 78 VAL H 1 78 VAL MG2 . . 4.050 3.311 3.155 3.407 . 0 0 "[ . 1 . 2]" 1
1500 1 78 VAL H 1 79 GLU H . . 5.220 4.396 4.322 4.454 . 0 0 "[ . 1 . 2]" 1
1501 1 78 VAL HA 1 78 VAL MG1 . . 3.240 2.601 2.544 2.650 . 0 0 "[ . 1 . 2]" 1
1502 1 78 VAL HA 1 78 VAL MG2 . . 3.490 2.115 2.059 2.267 . 0 0 "[ . 1 . 2]" 1
1503 1 78 VAL HA 1 79 GLU H . . 2.820 2.304 2.254 2.366 . 0 0 "[ . 1 . 2]" 1
1504 1 78 VAL HA 1 79 GLU HA . . 4.560 4.372 4.349 4.396 . 0 0 "[ . 1 . 2]" 1
1505 1 78 VAL HA 1 79 GLU HB3 . . 4.570 4.525 4.468 4.589 0.019 1 0 "[ . 1 . 2]" 1
1506 1 78 VAL HB 1 79 GLU H . . 4.770 4.179 4.064 4.284 . 0 0 "[ . 1 . 2]" 1
1507 1 78 VAL HB 1 111 HIS HE1 . . 4.590 4.582 4.353 4.626 0.036 12 0 "[ . 1 . 2]" 1
1508 1 78 VAL HB 1 113 PHE HZ . . 4.980 3.709 3.584 3.875 . 0 0 "[ . 1 . 2]" 1
1509 1 78 VAL MG1 1 79 GLU H . . 3.490 2.235 2.062 2.490 . 0 0 "[ . 1 . 2]" 1
1510 1 78 VAL MG1 1 79 GLU HA . . 4.060 3.335 3.199 3.464 . 0 0 "[ . 1 . 2]" 1
1511 1 78 VAL MG1 1 80 CYS H . . 4.290 3.200 2.926 3.720 . 0 0 "[ . 1 . 2]" 1
1512 1 78 VAL MG1 1 80 CYS HB2 . . 3.980 3.258 2.762 3.729 . 0 0 "[ . 1 . 2]" 1
1513 1 78 VAL MG1 1 99 PHE QE . . 3.970 3.932 3.699 4.001 0.031 14 0 "[ . 1 . 2]" 1
1514 1 78 VAL MG1 1 101 MET ME . . 3.470 3.376 3.263 3.501 0.031 11 0 "[ . 1 . 2]" 1
1515 1 78 VAL MG1 1 111 HIS HB3 . . 4.690 3.961 3.646 4.344 . 0 0 "[ . 1 . 2]" 1
1516 1 78 VAL MG1 1 111 HIS HD2 . . 4.160 3.933 3.696 4.161 0.001 9 0 "[ . 1 . 2]" 1
1517 1 78 VAL MG1 1 111 HIS HE1 . . 4.100 2.868 2.431 3.189 . 0 0 "[ . 1 . 2]" 1
1518 1 78 VAL MG1 1 113 PHE QE . . 4.490 4.217 4.115 4.281 . 0 0 "[ . 1 . 2]" 1
1519 1 78 VAL MG1 1 113 PHE HZ . . 3.390 3.378 3.240 3.412 0.022 2 0 "[ . 1 . 2]" 1
1520 1 78 VAL MG2 1 79 GLU H . . 3.790 3.638 3.493 3.777 . 0 0 "[ . 1 . 2]" 1
1521 1 78 VAL MG2 1 111 HIS HE1 . . 3.780 2.030 1.969 2.254 . 0 0 "[ . 1 . 2]" 1
1522 1 78 VAL MG2 1 113 PHE QE . . 4.660 4.409 4.239 4.533 . 0 0 "[ . 1 . 2]" 1
1523 1 78 VAL MG2 1 113 PHE HZ . . 3.970 3.922 3.790 4.011 0.041 12 0 "[ . 1 . 2]" 1
1524 1 79 GLU H 1 79 GLU HB3 . . 3.960 2.678 2.605 2.766 . 0 0 "[ . 1 . 2]" 1
1525 1 79 GLU H 1 79 GLU HG2 . . 4.670 4.421 4.329 4.584 . 0 0 "[ . 1 . 2]" 1
1526 1 79 GLU H 1 79 GLU HG3 . . 5.000 4.757 4.488 4.920 . 0 0 "[ . 1 . 2]" 1
1527 1 79 GLU H 1 80 CYS H . . 5.160 3.985 3.831 4.218 . 0 0 "[ . 1 . 2]" 1
1528 1 79 GLU H 1 101 MET ME . . 4.200 4.209 4.151 4.235 0.035 14 0 "[ . 1 . 2]" 1
1529 1 79 GLU HA 1 79 GLU HG2 . . 3.720 2.935 2.521 3.552 . 0 0 "[ . 1 . 2]" 1
1530 1 79 GLU HA 1 79 GLU HG3 . . 3.980 2.750 2.355 3.255 . 0 0 "[ . 1 . 2]" 1
1531 1 79 GLU HA 1 80 CYS H . . 3.070 2.236 2.202 2.264 . 0 0 "[ . 1 . 2]" 1
1532 1 79 GLU HB2 1 80 CYS H . . 4.680 4.542 4.419 4.608 . 0 0 "[ . 1 . 2]" 1
1533 1 79 GLU HB3 1 80 CYS H . . 4.770 4.508 4.394 4.560 . 0 0 "[ . 1 . 2]" 1
1534 1 79 GLU HG2 1 80 CYS H . . 4.360 3.594 2.887 4.402 0.042 1 0 "[ . 1 . 2]" 1
1535 1 79 GLU HG3 1 80 CYS H . . 4.400 4.019 3.017 4.404 0.004 12 0 "[ . 1 . 2]" 1
1536 1 80 CYS H 1 80 CYS HB2 . . 3.930 2.577 2.392 2.915 . 0 0 "[ . 1 . 2]" 1
1537 1 80 CYS H 1 80 CYS HB3 . . 3.740 3.344 2.745 3.720 . 0 0 "[ . 1 . 2]" 1
1538 1 80 CYS HA 1 81 ARG H . . 2.990 2.361 2.320 2.380 . 0 0 "[ . 1 . 2]" 1
1539 1 80 CYS HA 1 81 ARG HG3 . . 4.010 3.756 3.501 3.988 . 0 0 "[ . 1 . 2]" 1
1540 1 80 CYS HA 1 101 MET ME . . 3.230 2.472 1.999 2.828 . 0 0 "[ . 1 . 2]" 1
1541 1 80 CYS HB2 1 81 ARG H . . 4.810 4.109 3.879 4.282 . 0 0 "[ . 1 . 2]" 1
1542 1 80 CYS HB2 1 99 PHE QE . . 4.370 3.150 2.718 3.474 . 0 0 "[ . 1 . 2]" 1
1543 1 80 CYS HB2 1 99 PHE HZ . . 4.660 2.582 2.065 2.964 . 0 0 "[ . 1 . 2]" 1
1544 1 80 CYS HB2 1 101 MET ME . . 4.440 3.660 2.849 4.210 . 0 0 "[ . 1 . 2]" 1
1545 1 80 CYS HB3 1 81 ARG H . . 4.750 3.168 2.807 3.802 . 0 0 "[ . 1 . 2]" 1
1546 1 80 CYS HB3 1 99 PHE QE . . 4.360 3.054 2.030 3.745 . 0 0 "[ . 1 . 2]" 1
1547 1 80 CYS HB3 1 99 PHE HZ . . 4.840 3.388 3.004 3.626 . 0 0 "[ . 1 . 2]" 1
1548 1 80 CYS HB3 1 101 MET ME . . 4.610 3.501 2.499 4.429 . 0 0 "[ . 1 . 2]" 1
1549 1 81 ARG H 1 81 ARG HB2 . . 3.300 2.566 2.495 2.654 . 0 0 "[ . 1 . 2]" 1
1550 1 81 ARG H 1 81 ARG HB3 . . 4.140 3.712 3.659 3.765 . 0 0 "[ . 1 . 2]" 1
1551 1 81 ARG H 1 81 ARG QD . . 4.510 3.905 3.465 4.208 . 0 0 "[ . 1 . 2]" 1
1552 1 81 ARG H 1 81 ARG HG2 . . 4.960 4.315 4.139 4.430 . 0 0 "[ . 1 . 2]" 1
1553 1 81 ARG H 1 81 ARG HG3 . . 3.810 3.093 2.881 3.263 . 0 0 "[ . 1 . 2]" 1
1554 1 81 ARG H 1 82 VAL H . . 5.010 4.429 4.372 4.506 . 0 0 "[ . 1 . 2]" 1
1555 1 81 ARG H 1 84 PHE QD . . 4.650 3.651 2.975 4.280 . 0 0 "[ . 1 . 2]" 1
1556 1 81 ARG H 1 101 MET ME . . 3.930 3.473 2.827 3.926 . 0 0 "[ . 1 . 2]" 1
1557 1 81 ARG HA 1 82 VAL H . . 3.280 2.392 2.260 2.773 . 0 0 "[ . 1 . 2]" 1
1558 1 81 ARG HB2 1 81 ARG QD . . 3.140 2.174 2.006 2.315 . 0 0 "[ . 1 . 2]" 1
1559 1 81 ARG HB2 1 82 VAL H . . 4.450 3.966 3.231 4.285 . 0 0 "[ . 1 . 2]" 1
1560 1 81 ARG HB2 1 83 ARG H . . 4.380 3.295 3.007 3.517 . 0 0 "[ . 1 . 2]" 1
1561 1 81 ARG HB2 1 83 ARG HB3 . . 4.930 4.827 4.564 4.950 0.020 11 0 "[ . 1 . 2]" 1
1562 1 81 ARG HB2 1 83 ARG HG2 . . 4.410 3.305 3.067 3.578 . 0 0 "[ . 1 . 2]" 1
1563 1 81 ARG HB2 1 84 PHE H . . 4.830 2.739 2.477 3.021 . 0 0 "[ . 1 . 2]" 1
1564 1 81 ARG HB2 1 84 PHE QD . . 3.980 2.333 2.000 2.634 . 0 0 "[ . 1 . 2]" 1
1565 1 81 ARG HB2 1 84 PHE QE . . 5.500 4.387 3.675 4.830 . 0 0 "[ . 1 . 2]" 1
1566 1 81 ARG HB3 1 81 ARG QD . . 3.650 2.744 2.533 2.934 . 0 0 "[ . 1 . 2]" 1
1567 1 81 ARG HB3 1 82 VAL H . . 4.360 2.848 1.927 3.255 . 0 0 "[ . 1 . 2]" 1
1568 1 81 ARG HB3 1 83 ARG H . . 4.200 2.367 2.236 2.486 . 0 0 "[ . 1 . 2]" 1
1569 1 81 ARG HB3 1 83 ARG HB3 . . 5.100 3.821 3.543 4.103 . 0 0 "[ . 1 . 2]" 1
1570 1 81 ARG HB3 1 83 ARG HG2 . . 4.260 2.751 2.203 3.641 . 0 0 "[ . 1 . 2]" 1
1571 1 81 ARG HB3 1 84 PHE QD . . 4.530 3.840 3.605 4.160 . 0 0 "[ . 1 . 2]" 1
1572 1 81 ARG QD 1 84 PHE QD . . 4.660 2.043 1.938 2.351 . 0 0 "[ . 1 . 2]" 1
1573 1 81 ARG QD 1 84 PHE QE . . 4.280 2.803 1.972 3.337 . 0 0 "[ . 1 . 2]" 1
1574 1 81 ARG HG2 1 82 VAL H . . 4.860 4.216 3.644 4.532 . 0 0 "[ . 1 . 2]" 1
1575 1 81 ARG HG3 1 82 VAL H . . 4.850 4.686 4.412 4.859 0.009 15 0 "[ . 1 . 2]" 1
1576 1 82 VAL H 1 82 VAL HB . . 3.890 3.540 3.507 3.643 . 0 0 "[ . 1 . 2]" 1
1577 1 82 VAL H 1 82 VAL MG1 . . 3.180 2.080 1.889 2.608 . 0 0 "[ . 1 . 2]" 1
1578 1 82 VAL H 1 82 VAL MG2 . . 3.150 2.211 1.939 2.490 . 0 0 "[ . 1 . 2]" 1
1579 1 82 VAL H 1 83 ARG H . . 4.010 2.521 2.063 2.668 . 0 0 "[ . 1 . 2]" 1
1580 1 82 VAL H 1 83 ARG HA . . 5.090 5.020 4.657 5.139 0.049 8 0 "[ . 1 . 2]" 1
1581 1 82 VAL HA 1 82 VAL MG1 . . 3.140 2.438 2.347 2.478 . 0 0 "[ . 1 . 2]" 1
1582 1 82 VAL HA 1 82 VAL MG2 . . 3.500 3.207 3.192 3.216 . 0 0 "[ . 1 . 2]" 1
1583 1 82 VAL HA 1 83 ARG HA . . 4.690 4.673 4.641 4.738 0.048 17 0 "[ . 1 . 2]" 1
1584 1 82 VAL HA 1 84 PHE H . . 4.240 3.798 3.604 4.113 . 0 0 "[ . 1 . 2]" 1
1585 1 82 VAL HA 1 85 LEU H . . 3.840 3.050 2.915 3.192 . 0 0 "[ . 1 . 2]" 1
1586 1 82 VAL HA 1 85 LEU HB2 . . 3.350 1.989 1.942 2.033 . 0 0 "[ . 1 . 2]" 1
1587 1 82 VAL HA 1 85 LEU HB3 . . 3.790 3.450 3.338 3.557 . 0 0 "[ . 1 . 2]" 1
1588 1 82 VAL HA 1 85 LEU MD1 . . 3.680 2.231 2.116 2.345 . 0 0 "[ . 1 . 2]" 1
1589 1 82 VAL HA 1 85 LEU MD2 . . 4.310 4.361 4.306 4.422 0.112 14 0 "[ . 1 . 2]" 1
1590 1 82 VAL HA 1 85 LEU HG . . 4.110 3.985 3.761 4.124 0.014 16 0 "[ . 1 . 2]" 1
1591 1 82 VAL HB 1 83 ARG H . . 4.430 4.199 3.995 4.327 . 0 0 "[ . 1 . 2]" 1
1592 1 82 VAL HB 1 85 LEU MD1 . . 4.160 3.561 3.329 3.782 . 0 0 "[ . 1 . 2]" 1
1593 1 82 VAL HB 1 130 CYS HA . . 3.930 2.041 1.990 2.247 . 0 0 "[ . 1 . 2]" 1
1594 1 82 VAL MG1 1 83 ARG H . . 4.320 3.949 3.861 4.018 . 0 0 "[ . 1 . 2]" 1
1595 1 82 VAL MG1 1 85 LEU MD1 . . 2.910 2.783 2.653 2.912 0.002 17 0 "[ . 1 . 2]" 1
1596 1 82 VAL MG1 1 129 ALA H . . 4.170 4.062 3.734 4.202 0.032 19 0 "[ . 1 . 2]" 1
1597 1 82 VAL MG1 1 129 ALA HA . . 4.330 4.053 3.825 4.213 . 0 0 "[ . 1 . 2]" 1
1598 1 82 VAL MG1 1 129 ALA MB . . 2.850 1.807 1.712 1.937 . 0 0 "[ . 1 . 2]" 1
1599 1 82 VAL MG1 1 130 CYS H . . 4.090 2.931 2.703 3.525 . 0 0 "[ . 1 . 2]" 1
1600 1 82 VAL MG1 1 130 CYS HA . . 3.420 3.253 2.844 3.438 0.018 12 0 "[ . 1 . 2]" 1
1601 1 82 VAL MG2 1 83 ARG H . . 3.590 2.314 1.950 2.533 . 0 0 "[ . 1 . 2]" 1
1602 1 82 VAL MG2 1 129 ALA MB . . 3.540 2.832 2.199 3.407 . 0 0 "[ . 1 . 2]" 1
1603 1 82 VAL MG2 1 130 CYS H . . 4.340 4.066 3.844 4.348 0.008 18 0 "[ . 1 . 2]" 1
1604 1 82 VAL MG2 1 130 CYS HA . . 3.190 2.540 1.900 3.195 0.005 18 0 "[ . 1 . 2]" 1
1605 1 83 ARG H 1 83 ARG HB2 . . 3.620 3.570 3.527 3.591 . 0 0 "[ . 1 . 2]" 1
1606 1 83 ARG H 1 83 ARG HB3 . . 3.550 2.506 2.314 2.658 . 0 0 "[ . 1 . 2]" 1
1607 1 83 ARG H 1 83 ARG HG2 . . 3.640 2.959 2.706 3.199 . 0 0 "[ . 1 . 2]" 1
1608 1 83 ARG H 1 83 ARG HG3 . . 4.420 2.583 1.904 4.039 . 0 0 "[ . 1 . 2]" 1
1609 1 83 ARG H 1 85 LEU H . . 4.860 3.750 3.632 3.902 . 0 0 "[ . 1 . 2]" 1
1610 1 83 ARG HA 1 83 ARG QD . . 4.580 3.886 3.634 4.125 . 0 0 "[ . 1 . 2]" 1
1611 1 83 ARG HA 1 83 ARG HG3 . . 3.990 3.675 3.556 4.089 0.099 14 0 "[ . 1 . 2]" 1
1612 1 83 ARG HA 1 85 LEU H . . 4.380 4.001 3.811 4.326 . 0 0 "[ . 1 . 2]" 1
1613 1 83 ARG HB2 1 84 PHE H . . 4.610 4.214 3.927 4.376 . 0 0 "[ . 1 . 2]" 1
1614 1 83 ARG HB3 1 84 PHE H . . 4.570 4.120 4.005 4.277 . 0 0 "[ . 1 . 2]" 1
1615 1 83 ARG QD 1 84 PHE QB . . 4.190 3.483 2.881 4.056 . 0 0 "[ . 1 . 2]" 1
1616 1 83 ARG QD 1 84 PHE QE . . 5.040 3.471 2.940 3.693 . 0 0 "[ . 1 . 2]" 1
1617 1 83 ARG QD 1 84 PHE HZ . . 4.650 4.231 3.538 4.490 . 0 0 "[ . 1 . 2]" 1
1618 1 83 ARG HG2 1 84 PHE H . . 4.500 3.599 2.426 4.235 . 0 0 "[ . 1 . 2]" 1
1619 1 83 ARG HG3 1 84 PHE H . . 4.630 2.599 1.943 4.166 . 0 0 "[ . 1 . 2]" 1
1620 1 83 ARG HG3 1 84 PHE HA . . 5.170 4.039 3.719 4.520 . 0 0 "[ . 1 . 2]" 1
1621 1 83 ARG HG3 1 84 PHE QD . . 4.760 3.359 2.842 3.714 . 0 0 "[ . 1 . 2]" 1
1622 1 83 ARG HG3 1 84 PHE QE . . 4.950 4.471 3.044 4.987 0.037 16 0 "[ . 1 . 2]" 1
1623 1 84 PHE H 1 84 PHE QB . . 3.710 2.124 1.991 2.316 . 0 0 "[ . 1 . 2]" 1
1624 1 84 PHE H 1 84 PHE QD . . 4.410 3.659 3.467 3.790 . 0 0 "[ . 1 . 2]" 1
1625 1 84 PHE H 1 85 LEU H . . 3.350 2.135 1.952 2.342 . 0 0 "[ . 1 . 2]" 1
1626 1 84 PHE H 1 85 LEU HB2 . . 4.810 3.756 3.653 4.046 . 0 0 "[ . 1 . 2]" 1
1627 1 84 PHE HA 1 84 PHE QD . . 3.520 2.109 1.928 2.523 . 0 0 "[ . 1 . 2]" 1
1628 1 84 PHE HA 1 84 PHE QE . . 5.280 4.260 4.176 4.365 . 0 0 "[ . 1 . 2]" 1
1629 1 84 PHE HA 1 102 ASP HB3 . . 4.790 3.449 2.412 4.056 . 0 0 "[ . 1 . 2]" 1
1630 1 84 PHE QB 1 85 LEU H . . 4.800 3.222 2.945 3.415 . 0 0 "[ . 1 . 2]" 1
1631 1 84 PHE QB 1 101 MET HA . . 5.070 4.274 3.857 4.692 . 0 0 "[ . 1 . 2]" 1
1632 1 84 PHE QB 1 101 MET ME . . 3.920 3.488 3.185 3.725 . 0 0 "[ . 1 . 2]" 1
1633 1 84 PHE QB 1 102 ASP H . . 4.370 2.702 2.022 3.273 . 0 0 "[ . 1 . 2]" 1
1634 1 84 PHE QB 1 102 ASP HB3 . . 4.620 3.357 2.329 3.932 . 0 0 "[ . 1 . 2]" 1
1635 1 84 PHE QD 1 102 ASP HB3 . . 4.900 3.066 2.006 4.813 . 0 0 "[ . 1 . 2]" 1
1636 1 85 LEU H 1 85 LEU HB2 . . 3.390 2.012 1.979 2.067 . 0 0 "[ . 1 . 2]" 1
1637 1 85 LEU H 1 85 LEU HB3 . . 3.600 3.185 3.132 3.233 . 0 0 "[ . 1 . 2]" 1
1638 1 85 LEU H 1 85 LEU MD1 . . 4.250 3.672 3.492 3.788 . 0 0 "[ . 1 . 2]" 1
1639 1 85 LEU H 1 85 LEU MD2 . . 4.420 4.356 4.327 4.398 . 0 0 "[ . 1 . 2]" 1
1640 1 85 LEU H 1 85 LEU HG . . 4.310 3.693 3.558 3.834 . 0 0 "[ . 1 . 2]" 1
1641 1 85 LEU H 1 86 SER H . . 5.220 4.644 4.627 4.672 . 0 0 "[ . 1 . 2]" 1
1642 1 85 LEU HA 1 85 LEU MD1 . . 4.260 3.632 3.569 3.670 . 0 0 "[ . 1 . 2]" 1
1643 1 85 LEU HA 1 85 LEU MD2 . . 3.710 2.766 2.683 2.891 . 0 0 "[ . 1 . 2]" 1
1644 1 85 LEU HA 1 85 LEU HG . . 3.460 2.207 2.152 2.247 . 0 0 "[ . 1 . 2]" 1
1645 1 85 LEU HA 1 86 SER H . . 3.150 2.383 2.270 2.594 . 0 0 "[ . 1 . 2]" 1
1646 1 85 LEU HA 1 87 PHE H . . 4.370 4.096 3.858 4.335 . 0 0 "[ . 1 . 2]" 1
1647 1 85 LEU HA 1 101 MET HA . . 3.590 2.207 2.000 2.412 . 0 0 "[ . 1 . 2]" 1
1648 1 85 LEU HA 1 102 ASP H . . 5.370 3.511 3.183 3.754 . 0 0 "[ . 1 . 2]" 1
1649 1 85 LEU HB2 1 85 LEU MD1 . . 3.480 2.187 2.133 2.231 . 0 0 "[ . 1 . 2]" 1
1650 1 85 LEU HB2 1 85 LEU MD2 . . 3.560 3.149 3.123 3.162 . 0 0 "[ . 1 . 2]" 1
1651 1 85 LEU HB2 1 86 SER H . . 4.890 4.214 3.929 4.378 . 0 0 "[ . 1 . 2]" 1
1652 1 85 LEU HB3 1 85 LEU MD1 . . 3.370 2.626 2.589 2.697 . 0 0 "[ . 1 . 2]" 1
1653 1 85 LEU HB3 1 85 LEU MD2 . . 3.340 2.105 2.036 2.164 . 0 0 "[ . 1 . 2]" 1
1654 1 85 LEU HB3 1 86 SER H . . 4.760 3.075 2.615 3.341 . 0 0 "[ . 1 . 2]" 1
1655 1 85 LEU MD1 1 86 SER H . . 4.700 4.521 4.222 4.750 0.050 11 0 "[ . 1 . 2]" 1
1656 1 85 LEU MD1 1 88 MET ME . . 3.740 2.203 1.894 2.461 . 0 0 "[ . 1 . 2]" 1
1657 1 85 LEU MD1 1 99 PHE HB2 . . 3.830 3.128 2.908 3.319 . 0 0 "[ . 1 . 2]" 1
1658 1 85 LEU MD1 1 99 PHE HB3 . . 3.860 3.871 3.800 3.907 0.047 14 0 "[ . 1 . 2]" 1
1659 1 85 LEU MD1 1 99 PHE QD . . 3.870 3.495 3.243 3.687 . 0 0 "[ . 1 . 2]" 1
1660 1 85 LEU MD1 1 99 PHE QE . . 4.960 4.109 3.739 4.469 . 0 0 "[ . 1 . 2]" 1
1661 1 85 LEU MD2 1 86 SER H . . 3.730 2.201 1.895 2.540 . 0 0 "[ . 1 . 2]" 1
1662 1 85 LEU MD2 1 87 PHE H . . 3.430 2.269 2.140 2.412 . 0 0 "[ . 1 . 2]" 1
1663 1 85 LEU MD2 1 87 PHE HA . . 4.250 3.509 3.369 3.707 . 0 0 "[ . 1 . 2]" 1
1664 1 85 LEU MD2 1 88 MET H . . 4.480 4.440 4.356 4.500 0.020 19 0 "[ . 1 . 2]" 1
1665 1 85 LEU MD2 1 88 MET HA . . 4.330 4.199 4.008 4.340 0.010 8 0 "[ . 1 . 2]" 1
1666 1 85 LEU MD2 1 88 MET HB3 . . 3.390 2.547 2.360 2.691 . 0 0 "[ . 1 . 2]" 1
1667 1 85 LEU MD2 1 88 MET ME . . 3.330 1.933 1.764 2.148 . 0 0 "[ . 1 . 2]" 1
1668 1 85 LEU MD2 1 99 PHE HA . . 4.280 3.492 3.306 3.593 . 0 0 "[ . 1 . 2]" 1
1669 1 85 LEU MD2 1 99 PHE HB2 . . 3.500 1.787 1.762 1.869 . 0 0 "[ . 1 . 2]" 1
1670 1 85 LEU MD2 1 99 PHE HB3 . . 3.660 3.100 2.975 3.246 . 0 0 "[ . 1 . 2]" 1
1671 1 85 LEU MD2 1 99 PHE QD . . 3.640 2.129 1.977 2.276 . 0 0 "[ . 1 . 2]" 1
1672 1 85 LEU MD2 1 99 PHE QE . . 3.980 4.001 3.975 4.039 0.059 19 0 "[ . 1 . 2]" 1
1673 1 85 LEU MD2 1 100 ILE H . . 3.980 2.949 2.657 3.202 . 0 0 "[ . 1 . 2]" 1
1674 1 85 LEU MD2 1 101 MET H . . 4.740 4.397 4.150 4.598 . 0 0 "[ . 1 . 2]" 1
1675 1 85 LEU MD2 1 101 MET HA . . 4.320 3.420 3.224 3.648 . 0 0 "[ . 1 . 2]" 1
1676 1 85 LEU MD2 1 101 MET HB2 . . 4.950 4.616 4.343 4.876 . 0 0 "[ . 1 . 2]" 1
1677 1 85 LEU MD2 1 101 MET HB3 . . 4.990 3.762 3.243 4.127 . 0 0 "[ . 1 . 2]" 1
1678 1 85 LEU HG 1 86 SER H . . 4.410 3.640 3.417 3.850 . 0 0 "[ . 1 . 2]" 1
1679 1 85 LEU HG 1 87 PHE H . . 4.680 4.698 4.675 4.742 0.062 19 0 "[ . 1 . 2]" 1
1680 1 85 LEU HG 1 99 PHE HB2 . . 4.230 3.821 3.717 3.957 . 0 0 "[ . 1 . 2]" 1
1681 1 85 LEU HG 1 99 PHE QD . . 3.880 3.072 2.534 3.489 . 0 0 "[ . 1 . 2]" 1
1682 1 85 LEU HG 1 101 MET HA . . 4.820 3.365 3.044 3.755 . 0 0 "[ . 1 . 2]" 1
1683 1 86 SER H 1 87 PHE H . . 3.220 1.894 1.872 1.940 . 0 0 "[ . 1 . 2]" 1
1684 1 86 SER H 1 100 ILE MG . . 5.220 4.126 3.507 4.701 . 0 0 "[ . 1 . 2]" 1
1685 1 86 SER H 1 101 MET HA . . 3.400 3.021 2.831 3.378 . 0 0 "[ . 1 . 2]" 1
1686 1 86 SER QB 1 87 PHE H . . 4.020 2.749 2.536 3.055 . 0 0 "[ . 1 . 2]" 1
1687 1 86 SER QB 1 100 ILE H . . 5.330 4.425 4.096 4.926 . 0 0 "[ . 1 . 2]" 1
1688 1 86 SER QB 1 100 ILE HB . . 4.490 2.680 2.346 3.241 . 0 0 "[ . 1 . 2]" 1
1689 1 86 SER QB 1 100 ILE MG . . 4.260 2.499 2.147 2.844 . 0 0 "[ . 1 . 2]" 1
1690 1 87 PHE H 1 87 PHE HB3 . . 4.100 3.101 3.036 3.151 . 0 0 "[ . 1 . 2]" 1
1691 1 87 PHE H 1 88 MET H . . 4.500 4.358 4.347 4.367 . 0 0 "[ . 1 . 2]" 1
1692 1 87 PHE H 1 88 MET ME . . 4.620 4.558 4.405 4.658 0.038 15 0 "[ . 1 . 2]" 1
1693 1 87 PHE H 1 99 PHE HA . . 4.890 4.735 4.520 4.930 0.040 13 0 "[ . 1 . 2]" 1
1694 1 87 PHE H 1 99 PHE HB2 . . 5.260 4.301 3.932 4.741 . 0 0 "[ . 1 . 2]" 1
1695 1 87 PHE H 1 100 ILE H . . 4.080 2.935 2.780 3.109 . 0 0 "[ . 1 . 2]" 1
1696 1 87 PHE H 1 100 ILE HB . . 3.790 2.764 2.581 3.000 . 0 0 "[ . 1 . 2]" 1
1697 1 87 PHE H 1 100 ILE MG . . 4.690 4.026 3.692 4.297 . 0 0 "[ . 1 . 2]" 1
1698 1 87 PHE H 1 101 MET HA . . 5.270 4.469 4.276 4.617 . 0 0 "[ . 1 . 2]" 1
1699 1 87 PHE HA 1 87 PHE QD . . 4.010 2.995 2.754 3.113 . 0 0 "[ . 1 . 2]" 1
1700 1 87 PHE HA 1 88 MET H . . 2.960 2.553 2.504 2.584 . 0 0 "[ . 1 . 2]" 1
1701 1 87 PHE HA 1 88 MET ME . . 4.490 4.156 3.829 4.407 . 0 0 "[ . 1 . 2]" 1
1702 1 87 PHE HA 1 88 MET HG2 . . 4.540 4.107 3.733 4.612 0.072 12 0 "[ . 1 . 2]" 1
1703 1 87 PHE HB2 1 88 MET H . . 4.720 3.900 3.821 3.996 . 0 0 "[ . 1 . 2]" 1
1704 1 87 PHE HB2 1 100 ILE MD . . 3.860 3.727 3.443 3.870 0.010 2 0 "[ . 1 . 2]" 1
1705 1 87 PHE HB3 1 88 MET H . . 4.880 3.417 3.354 3.509 . 0 0 "[ . 1 . 2]" 1
1706 1 87 PHE HB3 1 100 ILE H . . 5.040 3.653 3.432 3.870 . 0 0 "[ . 1 . 2]" 1
1707 1 87 PHE HB3 1 100 ILE HB . . 4.150 2.890 2.562 3.111 . 0 0 "[ . 1 . 2]" 1
1708 1 87 PHE HB3 1 100 ILE MD . . 3.500 2.441 2.175 2.690 . 0 0 "[ . 1 . 2]" 1
1709 1 87 PHE QD 1 100 ILE HB . . 5.180 4.501 4.150 4.844 . 0 0 "[ . 1 . 2]" 1
1710 1 87 PHE QD 1 100 ILE MD . . 3.910 3.177 2.692 3.579 . 0 0 "[ . 1 . 2]" 1
1711 1 88 MET H 1 88 MET ME . . 4.310 4.266 4.004 4.411 0.101 4 0 "[ . 1 . 2]" 1
1712 1 88 MET H 1 88 MET HG2 . . 3.430 2.795 2.699 2.859 . 0 0 "[ . 1 . 2]" 1
1713 1 88 MET H 1 89 GLY H . . 5.020 4.238 4.162 4.308 . 0 0 "[ . 1 . 2]" 1
1714 1 88 MET H 1 89 GLY HA2 . . 5.500 5.008 4.942 5.083 . 0 0 "[ . 1 . 2]" 1
1715 1 88 MET H 1 99 PHE HA . . 5.170 4.468 4.377 4.567 . 0 0 "[ . 1 . 2]" 1
1716 1 88 MET H 1 100 ILE HG13 . . 5.190 5.068 4.817 5.193 0.003 8 0 "[ . 1 . 2]" 1
1717 1 88 MET HA 1 88 MET HG2 . . 3.950 3.714 3.563 3.838 . 0 0 "[ . 1 . 2]" 1
1718 1 88 MET HA 1 89 GLY H . . 3.420 2.983 2.881 3.073 . 0 0 "[ . 1 . 2]" 1
1719 1 88 MET HA 1 99 PHE HA . . 3.350 1.991 1.941 2.035 . 0 0 "[ . 1 . 2]" 1
1720 1 88 MET HA 1 99 PHE HB2 . . 4.410 3.831 3.770 3.915 . 0 0 "[ . 1 . 2]" 1
1721 1 88 MET HA 1 99 PHE HB3 . . 4.220 3.866 3.693 4.060 . 0 0 "[ . 1 . 2]" 1
1722 1 88 MET HA 1 100 ILE H . . 4.260 2.997 2.706 3.208 . 0 0 "[ . 1 . 2]" 1
1723 1 88 MET HB2 1 89 GLY H . . 3.790 1.931 1.878 2.020 . 0 0 "[ . 1 . 2]" 1
1724 1 88 MET HB2 1 97 PHE QE . . 4.310 3.175 2.994 3.328 . 0 0 "[ . 1 . 2]" 1
1725 1 88 MET HB2 1 97 PHE HZ . . 4.390 3.953 3.750 4.063 . 0 0 "[ . 1 . 2]" 1
1726 1 88 MET HB2 1 99 PHE HA . . 4.410 2.576 2.392 2.676 . 0 0 "[ . 1 . 2]" 1
1727 1 88 MET HB3 1 89 GLY H . . 4.040 3.445 3.368 3.541 . 0 0 "[ . 1 . 2]" 1
1728 1 88 MET HB3 1 97 PHE QE . . 4.380 4.380 4.302 4.402 0.022 9 0 "[ . 1 . 2]" 1
1729 1 88 MET HB3 1 97 PHE HZ . . 4.660 4.571 4.335 4.669 0.009 19 0 "[ . 1 . 2]" 1
1730 1 88 MET HB3 1 99 PHE HA . . 4.210 2.537 2.361 2.715 . 0 0 "[ . 1 . 2]" 1
1731 1 88 MET HB3 1 99 PHE HB2 . . 4.310 2.182 2.002 2.523 . 0 0 "[ . 1 . 2]" 1
1732 1 88 MET HB3 1 99 PHE HB3 . . 4.190 2.475 2.123 2.992 . 0 0 "[ . 1 . 2]" 1
1733 1 88 MET ME 1 89 GLY H . . 4.590 4.414 4.082 4.662 0.072 14 0 "[ . 1 . 2]" 1
1734 1 88 MET ME 1 97 PHE QE . . 3.780 3.702 3.424 3.844 0.064 14 0 "[ . 1 . 2]" 1
1735 1 88 MET ME 1 126 VAL MG1 . . 3.210 1.783 1.668 1.870 . 0 0 "[ . 1 . 2]" 1
1736 1 88 MET ME 1 127 GLN H . . 3.990 3.837 3.615 3.997 0.007 16 0 "[ . 1 . 2]" 1
1737 1 88 MET ME 1 127 GLN HA . . 3.220 3.014 2.711 3.224 0.004 7 0 "[ . 1 . 2]" 1
1738 1 88 MET ME 1 130 CYS H . . 4.660 4.409 3.894 4.664 0.004 9 0 "[ . 1 . 2]" 1
1739 1 88 MET ME 1 130 CYS HB2 . . 3.650 3.368 2.782 3.669 0.019 9 0 "[ . 1 . 2]" 1
1740 1 88 MET ME 1 130 CYS HB3 . . 4.620 3.954 3.335 4.406 . 0 0 "[ . 1 . 2]" 1
1741 1 88 MET HG2 1 99 PHE HA . . 4.770 4.769 4.627 4.875 0.105 13 0 "[ . 1 . 2]" 1
1742 1 88 MET HG3 1 89 GLY H . . 4.180 2.406 2.298 2.517 . 0 0 "[ . 1 . 2]" 1
1743 1 88 MET HG3 1 89 GLY HA2 . . 4.640 3.198 2.856 3.707 . 0 0 "[ . 1 . 2]" 1
1744 1 88 MET HG3 1 89 GLY HA3 . . 4.700 4.182 3.791 4.748 0.048 17 0 "[ . 1 . 2]" 1
1745 1 88 MET HG3 1 97 PHE QE . . 4.010 3.035 2.711 3.239 . 0 0 "[ . 1 . 2]" 1
1746 1 88 MET HG3 1 97 PHE HZ . . 4.710 4.399 3.660 4.722 0.012 14 0 "[ . 1 . 2]" 1
1747 1 88 MET HG3 1 99 PHE HB3 . . 4.410 4.357 4.060 4.449 0.039 19 0 "[ . 1 . 2]" 1
1748 1 89 GLY H 1 90 VAL H . . 4.750 4.279 4.128 4.414 . 0 0 "[ . 1 . 2]" 1
1749 1 89 GLY H 1 90 VAL MG2 . . 4.670 4.533 4.264 4.667 . 0 0 "[ . 1 . 2]" 1
1750 1 89 GLY H 1 97 PHE QD . . 4.920 3.725 3.465 3.976 . 0 0 "[ . 1 . 2]" 1
1751 1 89 GLY H 1 97 PHE QE . . 4.330 3.120 2.895 3.428 . 0 0 "[ . 1 . 2]" 1
1752 1 89 GLY H 1 99 PHE HA . . 4.490 3.887 3.632 3.974 . 0 0 "[ . 1 . 2]" 1
1753 1 89 GLY HA2 1 90 VAL H . . 3.350 2.474 2.315 2.816 . 0 0 "[ . 1 . 2]" 1
1754 1 89 GLY HA2 1 90 VAL MG2 . . 4.230 3.690 3.407 3.916 . 0 0 "[ . 1 . 2]" 1
1755 1 89 GLY HA3 1 90 VAL H . . 3.450 2.792 2.442 2.992 . 0 0 "[ . 1 . 2]" 1
1756 1 89 GLY HA3 1 90 VAL MG2 . . 5.010 4.612 4.282 4.863 . 0 0 "[ . 1 . 2]" 1
1757 1 90 VAL H 1 90 VAL HB . . 3.310 2.309 2.187 2.517 . 0 0 "[ . 1 . 2]" 1
1758 1 90 VAL H 1 90 VAL MG1 . . 4.090 3.686 3.619 3.768 . 0 0 "[ . 1 . 2]" 1
1759 1 90 VAL H 1 90 VAL MG2 . . 3.290 2.655 2.407 2.941 . 0 0 "[ . 1 . 2]" 1
1760 1 90 VAL H 1 91 GLY H . . 4.980 4.503 4.206 4.643 . 0 0 "[ . 1 . 2]" 1
1761 1 90 VAL HA 1 90 VAL MG1 . . 3.300 2.500 2.415 2.563 . 0 0 "[ . 1 . 2]" 1
1762 1 90 VAL HA 1 90 VAL MG2 . . 3.150 2.217 2.120 2.289 . 0 0 "[ . 1 . 2]" 1
1763 1 90 VAL HA 1 91 GLY H . . 3.080 2.218 2.182 2.326 . 0 0 "[ . 1 . 2]" 1
1764 1 90 VAL HA 1 97 PHE HA . . 3.420 2.530 2.332 2.747 . 0 0 "[ . 1 . 2]" 1
1765 1 90 VAL HA 1 97 PHE QD . . 3.950 3.149 2.866 3.616 . 0 0 "[ . 1 . 2]" 1
1766 1 90 VAL HA 1 98 ALA H . . 4.360 3.667 3.408 3.901 . 0 0 "[ . 1 . 2]" 1
1767 1 90 VAL HB 1 91 GLY H . . 4.630 4.316 4.055 4.521 . 0 0 "[ . 1 . 2]" 1
1768 1 90 VAL MG1 1 91 GLY H . . 3.410 2.571 1.936 2.997 . 0 0 "[ . 1 . 2]" 1
1769 1 90 VAL MG1 1 91 GLY HA3 . . 4.190 3.870 3.658 4.112 . 0 0 "[ . 1 . 2]" 1
1770 1 90 VAL MG1 1 94 VAL H . . 5.050 4.175 3.992 4.397 . 0 0 "[ . 1 . 2]" 1
1771 1 90 VAL MG1 1 94 VAL HA . . 2.950 1.969 1.821 2.194 . 0 0 "[ . 1 . 2]" 1
1772 1 90 VAL MG1 1 94 VAL HB . . 4.050 3.531 3.297 3.691 . 0 0 "[ . 1 . 2]" 1
1773 1 90 VAL MG1 1 95 HIS H . . 5.070 4.192 3.960 4.508 . 0 0 "[ . 1 . 2]" 1
1774 1 90 VAL MG1 1 96 THR H . . 4.170 2.822 2.582 3.078 . 0 0 "[ . 1 . 2]" 1
1775 1 90 VAL MG2 1 91 GLY H . . 4.050 3.962 3.725 4.063 0.013 10 0 "[ . 1 . 2]" 1
1776 1 90 VAL MG2 1 97 PHE HA . . 3.920 3.393 2.770 3.663 . 0 0 "[ . 1 . 2]" 1
1777 1 90 VAL MG2 1 97 PHE HB2 . . 4.270 3.478 3.032 3.746 . 0 0 "[ . 1 . 2]" 1
1778 1 90 VAL MG2 1 97 PHE QD . . 3.370 2.528 2.220 2.699 . 0 0 "[ . 1 . 2]" 1
1779 1 90 VAL MG2 1 97 PHE QE . . 4.110 3.993 3.691 4.121 0.011 1 0 "[ . 1 . 2]" 1
1780 1 90 VAL MG2 1 98 ALA H . . 4.940 4.551 4.152 4.745 . 0 0 "[ . 1 . 2]" 1
1781 1 90 VAL MG2 1 120 ALA H . . 4.480 4.241 3.940 4.493 0.013 13 0 "[ . 1 . 2]" 1
1782 1 90 VAL MG2 1 120 ALA HA . . 4.230 3.356 3.124 3.658 . 0 0 "[ . 1 . 2]" 1
1783 1 90 VAL MG2 1 123 SER H . . 4.470 3.985 3.795 4.328 . 0 0 "[ . 1 . 2]" 1
1784 1 90 VAL MG2 1 123 SER HA . . 4.540 4.535 4.450 4.576 0.036 14 0 "[ . 1 . 2]" 1
1785 1 90 VAL MG2 1 123 SER HB2 . . 3.410 2.523 2.436 2.612 . 0 0 "[ . 1 . 2]" 1
1786 1 90 VAL MG2 1 123 SER HB3 . . 3.460 2.947 2.791 3.113 . 0 0 "[ . 1 . 2]" 1
1787 1 91 GLY H 1 92 LYS H . . 4.650 4.535 4.405 4.615 . 0 0 "[ . 1 . 2]" 1
1788 1 91 GLY H 1 96 THR H . . 4.930 4.202 3.866 4.817 . 0 0 "[ . 1 . 2]" 1
1789 1 91 GLY H 1 96 THR HB . . 4.680 3.344 3.062 3.734 . 0 0 "[ . 1 . 2]" 1
1790 1 91 GLY H 1 96 THR HG1 . . 3.910 3.878 3.799 3.918 0.008 7 0 "[ . 1 . 2]" 1
1791 1 91 GLY H 1 97 PHE HA . . 4.480 3.078 2.757 3.833 . 0 0 "[ . 1 . 2]" 1
1792 1 91 GLY HA2 1 92 LYS H . . 3.480 2.695 2.605 2.842 . 0 0 "[ . 1 . 2]" 1
1793 1 91 GLY HA3 1 92 LYS H . . 3.500 2.548 2.420 2.634 . 0 0 "[ . 1 . 2]" 1
1794 1 91 GLY HA3 1 93 ASP H . . 4.770 3.980 3.473 4.792 0.022 10 0 "[ . 1 . 2]" 1
1795 1 92 LYS H 1 92 LYS HB2 . . 3.650 2.381 2.233 2.518 . 0 0 "[ . 1 . 2]" 1
1796 1 92 LYS H 1 92 LYS HB3 . . 3.420 3.533 3.493 3.549 0.129 5 0 "[ . 1 . 2]" 1
1797 1 92 LYS H 1 92 LYS HD2 . . 4.430 4.397 3.068 4.968 0.538 20 1 "[ . 1 . +]" 1
1798 1 92 LYS H 1 92 LYS HG2 . . 3.790 2.626 1.996 4.013 0.223 13 0 "[ . 1 . 2]" 1
1799 1 92 LYS H 1 92 LYS HG3 . . 4.010 3.138 2.189 3.506 . 0 0 "[ . 1 . 2]" 1
1800 1 92 LYS H 1 93 ASP H . . 3.590 3.149 2.962 3.520 . 0 0 "[ . 1 . 2]" 1
1801 1 92 LYS HA 1 92 LYS HD3 . . 4.200 3.003 2.217 4.469 0.269 14 0 "[ . 1 . 2]" 1
1802 1 92 LYS HA 1 92 LYS HG2 . . 3.870 2.580 2.184 2.955 . 0 0 "[ . 1 . 2]" 1
1803 1 92 LYS HA 1 92 LYS HG3 . . 3.580 3.359 2.202 3.717 0.137 19 0 "[ . 1 . 2]" 1
1804 1 92 LYS HB2 1 93 ASP H . . 4.100 2.468 2.120 2.745 . 0 0 "[ . 1 . 2]" 1
1805 1 92 LYS HB3 1 92 LYS HE3 . . 5.180 3.955 2.169 5.175 . 0 0 "[ . 1 . 2]" 1
1806 1 92 LYS HB3 1 93 ASP H . . 4.070 3.133 2.530 3.645 . 0 0 "[ . 1 . 2]" 1
1807 1 92 LYS HE3 1 92 LYS HG2 . . 4.250 3.356 2.396 4.061 . 0 0 "[ . 1 . 2]" 1
1808 1 92 LYS HE3 1 92 LYS HG3 . . 4.260 2.883 2.153 3.856 . 0 0 "[ . 1 . 2]" 1
1809 1 92 LYS HG2 1 93 ASP H . . 4.960 4.654 4.384 5.162 0.202 14 0 "[ . 1 . 2]" 1
1810 1 92 LYS HG3 1 93 ASP H . . 5.160 4.703 4.411 4.905 . 0 0 "[ . 1 . 2]" 1
1811 1 93 ASP H 1 93 ASP QB . . 3.580 2.212 1.987 2.863 . 0 0 "[ . 1 . 2]" 1
1812 1 93 ASP H 1 96 THR MG . . 4.320 3.395 3.067 3.845 . 0 0 "[ . 1 . 2]" 1
1813 1 93 ASP HA 1 94 VAL H . . 2.890 2.478 2.359 2.559 . 0 0 "[ . 1 . 2]" 1
1814 1 93 ASP HA 1 94 VAL MG1 . . 3.770 3.545 3.404 3.796 0.026 10 0 "[ . 1 . 2]" 1
1815 1 93 ASP HA 1 94 VAL MG2 . . 4.130 4.087 3.901 4.145 0.015 15 0 "[ . 1 . 2]" 1
1816 1 93 ASP QB 1 94 VAL H . . 4.620 2.811 2.614 3.106 . 0 0 "[ . 1 . 2]" 1
1817 1 93 ASP QB 1 95 HIS H . . 4.930 1.964 1.928 2.041 . 0 0 "[ . 1 . 2]" 1
1818 1 93 ASP QB 1 95 HIS HA . . 4.560 4.489 4.465 4.548 . 0 0 "[ . 1 . 2]" 1
1819 1 93 ASP QB 1 96 THR H . . 4.840 3.367 3.123 3.938 . 0 0 "[ . 1 . 2]" 1
1820 1 93 ASP QB 1 96 THR MG . . 3.420 2.312 2.065 2.773 . 0 0 "[ . 1 . 2]" 1
1821 1 94 VAL H 1 94 VAL HB . . 4.130 3.570 3.553 3.584 . 0 0 "[ . 1 . 2]" 1
1822 1 94 VAL H 1 94 VAL MG1 . . 2.990 2.390 2.261 2.588 . 0 0 "[ . 1 . 2]" 1
1823 1 94 VAL H 1 94 VAL MG2 . . 2.990 1.972 1.911 2.096 . 0 0 "[ . 1 . 2]" 1
1824 1 94 VAL H 1 95 HIS H . . 4.060 2.396 2.301 2.535 . 0 0 "[ . 1 . 2]" 1
1825 1 94 VAL HA 1 94 VAL MG1 . . 2.970 2.348 2.195 2.436 . 0 0 "[ . 1 . 2]" 1
1826 1 94 VAL HA 1 94 VAL MG2 . . 3.600 3.209 3.204 3.220 . 0 0 "[ . 1 . 2]" 1
1827 1 94 VAL HA 1 96 THR H . . 4.180 3.335 3.209 3.517 . 0 0 "[ . 1 . 2]" 1
1828 1 94 VAL HB 1 95 HIS H . . 5.340 4.329 4.245 4.401 . 0 0 "[ . 1 . 2]" 1
1829 1 94 VAL HB 1 118 ASN HB2 . . 4.680 2.728 2.581 3.287 . 0 0 "[ . 1 . 2]" 1
1830 1 94 VAL HB 1 118 ASN HB3 . . 4.160 2.547 2.006 2.989 . 0 0 "[ . 1 . 2]" 1
1831 1 94 VAL MG1 1 95 HIS H . . 4.420 4.138 4.078 4.289 . 0 0 "[ . 1 . 2]" 1
1832 1 94 VAL MG1 1 118 ASN HB2 . . 4.360 4.118 3.976 4.388 0.028 10 0 "[ . 1 . 2]" 1
1833 1 94 VAL MG1 1 118 ASN HB3 . . 4.090 3.834 3.263 4.148 0.058 5 0 "[ . 1 . 2]" 1
1834 1 94 VAL MG2 1 95 HIS H . . 3.780 2.686 2.507 2.969 . 0 0 "[ . 1 . 2]" 1
1835 1 94 VAL MG2 1 95 HIS HA . . 4.490 3.686 3.445 3.837 . 0 0 "[ . 1 . 2]" 1
1836 1 94 VAL MG2 1 95 HIS HE1 . . 4.380 2.651 2.448 2.825 . 0 0 "[ . 1 . 2]" 1
1837 1 94 VAL MG2 1 96 THR H . . 4.700 4.504 4.400 4.668 . 0 0 "[ . 1 . 2]" 1
1838 1 94 VAL MG2 1 118 ASN HA . . 4.450 2.666 2.227 3.110 . 0 0 "[ . 1 . 2]" 1
1839 1 94 VAL MG2 1 118 ASN HB2 . . 3.510 3.412 3.187 3.514 0.004 10 0 "[ . 1 . 2]" 1
1840 1 94 VAL MG2 1 118 ASN HB3 . . 3.480 2.249 1.951 2.642 . 0 0 "[ . 1 . 2]" 1
1841 1 94 VAL MG2 1 118 ASN HD21 . . 4.560 4.051 3.202 4.583 0.023 10 0 "[ . 1 . 2]" 1
1842 1 94 VAL MG2 1 119 ALA H . . 4.720 3.988 3.575 4.131 . 0 0 "[ . 1 . 2]" 1
1843 1 95 HIS H 1 95 HIS HB2 . . 3.920 2.869 2.765 2.955 . 0 0 "[ . 1 . 2]" 1
1844 1 95 HIS H 1 96 THR H . . 3.590 2.683 2.479 3.068 . 0 0 "[ . 1 . 2]" 1
1845 1 95 HIS H 1 96 THR HG1 . . 4.460 3.817 2.795 4.206 . 0 0 "[ . 1 . 2]" 1
1846 1 95 HIS H 1 96 THR MG . . 4.490 3.383 3.190 3.641 . 0 0 "[ . 1 . 2]" 1
1847 1 95 HIS HA 1 95 HIS HD2 . . 3.920 3.866 3.763 3.937 0.017 14 0 "[ . 1 . 2]" 1
1848 1 95 HIS HA 1 115 CYS H . . 4.420 3.278 3.160 3.361 . 0 0 "[ . 1 . 2]" 1
1849 1 95 HIS HA 1 115 CYS HB2 . . 4.480 3.842 3.623 4.242 . 0 0 "[ . 1 . 2]" 1
1850 1 95 HIS HA 1 116 GLU QG . . 4.470 3.946 3.668 4.298 . 0 0 "[ . 1 . 2]" 1
1851 1 95 HIS HA 1 119 ALA H . . 3.650 3.371 3.111 3.590 . 0 0 "[ . 1 . 2]" 1
1852 1 95 HIS HA 1 119 ALA MB . . 4.120 3.513 3.231 3.736 . 0 0 "[ . 1 . 2]" 1
1853 1 95 HIS HB2 1 96 THR H . . 4.850 4.125 3.937 4.351 . 0 0 "[ . 1 . 2]" 1
1854 1 95 HIS HB2 1 114 TRP HE1 . . 5.280 3.607 3.055 4.264 . 0 0 "[ . 1 . 2]" 1
1855 1 95 HIS HB2 1 114 TRP HH2 . . 4.860 3.560 2.930 4.095 . 0 0 "[ . 1 . 2]" 1
1856 1 95 HIS HB2 1 114 TRP HZ2 . . 4.710 2.903 2.743 3.144 . 0 0 "[ . 1 . 2]" 1
1857 1 95 HIS HB2 1 115 CYS H . . 4.810 4.633 4.471 4.810 . 0 0 "[ . 1 . 2]" 1
1858 1 95 HIS HB3 1 96 THR H . . 5.230 4.666 4.627 4.695 . 0 0 "[ . 1 . 2]" 1
1859 1 95 HIS HB3 1 114 TRP HE1 . . 5.160 2.777 2.250 3.433 . 0 0 "[ . 1 . 2]" 1
1860 1 95 HIS HB3 1 114 TRP HZ2 . . 5.160 3.401 3.046 3.609 . 0 0 "[ . 1 . 2]" 1
1861 1 95 HIS HB3 1 115 CYS H . . 4.030 4.043 4.015 4.063 0.033 6 0 "[ . 1 . 2]" 1
1862 1 95 HIS HD2 1 114 TRP HE1 . . 4.510 3.970 3.580 4.496 . 0 0 "[ . 1 . 2]" 1
1863 1 95 HIS HD2 1 116 GLU HA . . 3.580 3.384 3.018 3.592 0.012 9 0 "[ . 1 . 2]" 1
1864 1 95 HIS HD2 1 116 GLU QG . . 4.520 3.069 2.438 3.904 . 0 0 "[ . 1 . 2]" 1
1865 1 95 HIS HD2 1 117 PRO HA . . 4.350 3.070 2.837 3.251 . 0 0 "[ . 1 . 2]" 1
1866 1 95 HIS HD2 1 118 ASN HA . . 4.200 4.048 3.865 4.204 0.004 18 0 "[ . 1 . 2]" 1
1867 1 96 THR H 1 96 THR HG1 . . 3.140 3.000 2.087 3.220 0.080 15 0 "[ . 1 . 2]" 1
1868 1 96 THR H 1 96 THR MG . . 3.460 3.057 2.918 3.216 . 0 0 "[ . 1 . 2]" 1
1869 1 96 THR H 1 119 ALA MB . . 4.210 3.164 2.585 3.451 . 0 0 "[ . 1 . 2]" 1
1870 1 96 THR HA 1 96 THR MG . . 3.170 2.320 2.223 2.409 . 0 0 "[ . 1 . 2]" 1
1871 1 96 THR HA 1 97 PHE H . . 2.940 2.199 2.159 2.263 . 0 0 "[ . 1 . 2]" 1
1872 1 96 THR HA 1 97 PHE HB2 . . 4.870 4.382 4.280 4.458 . 0 0 "[ . 1 . 2]" 1
1873 1 96 THR HA 1 97 PHE HB3 . . 4.620 4.269 4.195 4.314 . 0 0 "[ . 1 . 2]" 1
1874 1 96 THR HA 1 112 VAL MG1 . . 4.790 4.247 4.068 4.449 . 0 0 "[ . 1 . 2]" 1
1875 1 96 THR HA 1 114 TRP HA . . 3.770 2.514 2.256 2.697 . 0 0 "[ . 1 . 2]" 1
1876 1 96 THR HA 1 114 TRP HE3 . . 4.930 4.131 3.849 4.572 . 0 0 "[ . 1 . 2]" 1
1877 1 96 THR HA 1 115 CYS H . . 4.510 3.315 3.053 3.433 . 0 0 "[ . 1 . 2]" 1
1878 1 96 THR HA 1 115 CYS HG . . 4.610 3.957 3.600 4.207 . 0 0 "[ . 1 . 2]" 1
1879 1 96 THR HB 1 97 PHE H . . 3.700 3.294 3.028 3.531 . 0 0 "[ . 1 . 2]" 1
1880 1 96 THR HB 1 112 VAL MG1 . . 4.170 3.767 3.313 4.071 . 0 0 "[ . 1 . 2]" 1
1881 1 96 THR HG1 1 96 THR MG . . 3.240 2.090 1.992 2.143 . 0 0 "[ . 1 . 2]" 1
1882 1 96 THR MG 1 97 PHE H . . 3.920 3.883 3.785 3.968 0.048 20 0 "[ . 1 . 2]" 1
1883 1 96 THR MG 1 114 TRP HE3 . . 3.300 2.542 2.215 3.140 . 0 0 "[ . 1 . 2]" 1
1884 1 96 THR MG 1 114 TRP HH2 . . 5.220 4.108 3.854 4.441 . 0 0 "[ . 1 . 2]" 1
1885 1 96 THR MG 1 114 TRP HZ3 . . 3.670 2.901 2.583 3.474 . 0 0 "[ . 1 . 2]" 1
1886 1 96 THR MG 1 115 CYS H . . 4.630 4.595 4.282 4.654 0.024 13 0 "[ . 1 . 2]" 1
1887 1 97 PHE H 1 97 PHE HB2 . . 3.980 3.226 3.141 3.336 . 0 0 "[ . 1 . 2]" 1
1888 1 97 PHE H 1 97 PHE HB3 . . 3.790 2.612 2.505 2.773 . 0 0 "[ . 1 . 2]" 1
1889 1 97 PHE H 1 97 PHE QD . . 4.670 4.272 4.202 4.362 . 0 0 "[ . 1 . 2]" 1
1890 1 97 PHE H 1 98 ALA H . . 4.940 4.286 4.132 4.385 . 0 0 "[ . 1 . 2]" 1
1891 1 97 PHE H 1 98 ALA MB . . 5.010 4.136 3.932 4.329 . 0 0 "[ . 1 . 2]" 1
1892 1 97 PHE H 1 112 VAL HA . . 5.090 4.479 4.322 4.635 . 0 0 "[ . 1 . 2]" 1
1893 1 97 PHE H 1 112 VAL MG1 . . 4.430 3.491 3.221 3.728 . 0 0 "[ . 1 . 2]" 1
1894 1 97 PHE H 1 113 PHE H . . 4.000 2.700 2.505 2.856 . 0 0 "[ . 1 . 2]" 1
1895 1 97 PHE H 1 113 PHE HB2 . . 4.400 3.602 3.238 3.818 . 0 0 "[ . 1 . 2]" 1
1896 1 97 PHE H 1 113 PHE HB3 . . 5.030 4.748 4.410 4.970 . 0 0 "[ . 1 . 2]" 1
1897 1 97 PHE H 1 113 PHE QD . . 4.970 4.869 4.577 4.982 0.012 8 0 "[ . 1 . 2]" 1
1898 1 97 PHE H 1 114 TRP HA . . 4.480 3.468 3.280 3.678 . 0 0 "[ . 1 . 2]" 1
1899 1 97 PHE H 1 115 CYS H . . 5.230 4.090 3.794 4.364 . 0 0 "[ . 1 . 2]" 1
1900 1 97 PHE H 1 115 CYS HG . . 4.390 3.464 3.077 3.863 . 0 0 "[ . 1 . 2]" 1
1901 1 97 PHE H 1 119 ALA MB . . 4.480 3.922 3.649 4.112 . 0 0 "[ . 1 . 2]" 1
1902 1 97 PHE HA 1 97 PHE QD . . 3.450 2.475 2.346 2.634 . 0 0 "[ . 1 . 2]" 1
1903 1 97 PHE HA 1 97 PHE QE . . 4.800 4.634 4.597 4.732 . 0 0 "[ . 1 . 2]" 1
1904 1 97 PHE HA 1 98 ALA H . . 3.080 2.239 2.193 2.312 . 0 0 "[ . 1 . 2]" 1
1905 1 97 PHE HA 1 119 ALA MB . . 3.940 3.346 3.194 3.532 . 0 0 "[ . 1 . 2]" 1
1906 1 97 PHE HB2 1 98 ALA H . . 4.680 4.240 4.034 4.408 . 0 0 "[ . 1 . 2]" 1
1907 1 97 PHE HB2 1 113 PHE HB2 . . 4.450 4.370 4.185 4.469 0.019 14 0 "[ . 1 . 2]" 1
1908 1 97 PHE HB2 1 115 CYS HG . . 4.490 2.544 2.204 2.909 . 0 0 "[ . 1 . 2]" 1
1909 1 97 PHE HB2 1 119 ALA MB . . 3.310 1.841 1.789 1.906 . 0 0 "[ . 1 . 2]" 1
1910 1 97 PHE HB2 1 122 VAL MG1 . . 4.230 3.455 3.220 3.814 . 0 0 "[ . 1 . 2]" 1
1911 1 97 PHE HB3 1 98 ALA H . . 4.980 4.253 4.057 4.433 . 0 0 "[ . 1 . 2]" 1
1912 1 97 PHE HB3 1 113 PHE H . . 5.050 3.752 3.479 3.963 . 0 0 "[ . 1 . 2]" 1
1913 1 97 PHE HB3 1 113 PHE HB2 . . 4.150 2.625 2.452 2.717 . 0 0 "[ . 1 . 2]" 1
1914 1 97 PHE HB3 1 113 PHE HB3 . . 4.560 3.962 3.789 4.071 . 0 0 "[ . 1 . 2]" 1
1915 1 97 PHE HB3 1 113 PHE QD . . 4.680 3.941 3.735 4.099 . 0 0 "[ . 1 . 2]" 1
1916 1 97 PHE HB3 1 115 CYS HG . . 4.440 2.261 2.041 2.486 . 0 0 "[ . 1 . 2]" 1
1917 1 97 PHE HB3 1 119 ALA MB . . 3.880 3.062 2.846 3.222 . 0 0 "[ . 1 . 2]" 1
1918 1 97 PHE HB3 1 122 VAL MG1 . . 4.190 3.483 3.192 3.739 . 0 0 "[ . 1 . 2]" 1
1919 1 97 PHE QD 1 98 ALA H . . 3.900 3.018 2.705 3.272 . 0 0 "[ . 1 . 2]" 1
1920 1 97 PHE QD 1 98 ALA HA . . 4.760 4.239 3.932 4.506 . 0 0 "[ . 1 . 2]" 1
1921 1 97 PHE QD 1 98 ALA MB . . 4.990 4.752 4.593 4.902 . 0 0 "[ . 1 . 2]" 1
1922 1 97 PHE QD 1 113 PHE H . . 5.030 4.551 4.231 4.858 . 0 0 "[ . 1 . 2]" 1
1923 1 97 PHE QD 1 113 PHE HB2 . . 4.250 2.701 2.420 2.972 . 0 0 "[ . 1 . 2]" 1
1924 1 97 PHE QD 1 113 PHE HB3 . . 4.630 3.975 3.744 4.133 . 0 0 "[ . 1 . 2]" 1
1925 1 97 PHE QD 1 113 PHE QD . . 3.660 2.930 2.496 3.321 . 0 0 "[ . 1 . 2]" 1
1926 1 97 PHE QD 1 119 ALA MB . . 3.960 2.946 2.664 3.206 . 0 0 "[ . 1 . 2]" 1
1927 1 97 PHE QD 1 122 VAL MG1 . . 3.550 2.651 2.257 2.849 . 0 0 "[ . 1 . 2]" 1
1928 1 97 PHE QD 1 123 SER HA . . 4.250 3.787 3.630 4.025 . 0 0 "[ . 1 . 2]" 1
1929 1 97 PHE QD 1 123 SER HB2 . . 3.840 2.540 2.500 2.635 . 0 0 "[ . 1 . 2]" 1
1930 1 97 PHE QD 1 123 SER HB3 . . 4.190 4.194 4.158 4.212 0.022 12 0 "[ . 1 . 2]" 1
1931 1 97 PHE QE 1 98 ALA H . . 4.680 4.200 3.859 4.598 . 0 0 "[ . 1 . 2]" 1
1932 1 97 PHE QE 1 122 VAL MG1 . . 3.680 2.882 2.580 3.288 . 0 0 "[ . 1 . 2]" 1
1933 1 97 PHE QE 1 123 SER HA . . 3.500 2.464 2.277 2.767 . 0 0 "[ . 1 . 2]" 1
1934 1 97 PHE QE 1 123 SER HB2 . . 3.950 2.671 2.519 3.074 . 0 0 "[ . 1 . 2]" 1
1935 1 97 PHE QE 1 123 SER HB3 . . 4.460 4.114 3.935 4.349 . 0 0 "[ . 1 . 2]" 1
1936 1 97 PHE QE 1 126 VAL HB . . 4.070 3.698 3.547 3.864 . 0 0 "[ . 1 . 2]" 1
1937 1 97 PHE QE 1 126 VAL MG1 . . 3.490 3.359 3.195 3.508 0.018 12 0 "[ . 1 . 2]" 1
1938 1 97 PHE QE 1 126 VAL MG2 . . 3.320 2.568 2.222 2.853 . 0 0 "[ . 1 . 2]" 1
1939 1 97 PHE HZ 1 123 SER HA . . 4.640 2.926 2.744 3.293 . 0 0 "[ . 1 . 2]" 1
1940 1 97 PHE HZ 1 126 VAL H . . 4.930 4.866 4.612 4.945 0.015 9 0 "[ . 1 . 2]" 1
1941 1 97 PHE HZ 1 126 VAL HB . . 3.800 2.793 2.572 3.068 . 0 0 "[ . 1 . 2]" 1
1942 1 97 PHE HZ 1 126 VAL MG1 . . 3.310 2.247 1.961 2.515 . 0 0 "[ . 1 . 2]" 1
1943 1 97 PHE HZ 1 126 VAL MG2 . . 3.440 2.476 2.036 2.911 . 0 0 "[ . 1 . 2]" 1
1944 1 98 ALA H 1 98 ALA MB . . 3.100 2.682 2.527 2.812 . 0 0 "[ . 1 . 2]" 1
1945 1 98 ALA H 1 119 ALA MB . . 4.920 4.953 4.927 5.000 0.080 8 0 "[ . 1 . 2]" 1
1946 1 98 ALA HA 1 99 PHE H . . 3.020 2.321 2.262 2.390 . 0 0 "[ . 1 . 2]" 1
1947 1 98 ALA HA 1 99 PHE QD . . 4.920 3.714 3.401 3.916 . 0 0 "[ . 1 . 2]" 1
1948 1 98 ALA HA 1 112 VAL HA . . 3.520 2.651 2.415 2.763 . 0 0 "[ . 1 . 2]" 1
1949 1 98 ALA HA 1 112 VAL MG1 . . 4.670 4.335 4.052 4.553 . 0 0 "[ . 1 . 2]" 1
1950 1 98 ALA HA 1 112 VAL MG2 . . 3.860 3.810 3.578 3.882 0.022 3 0 "[ . 1 . 2]" 1
1951 1 98 ALA HA 1 113 PHE H . . 4.240 3.674 3.558 3.774 . 0 0 "[ . 1 . 2]" 1
1952 1 98 ALA HA 1 113 PHE HB2 . . 5.060 4.543 4.318 4.783 . 0 0 "[ . 1 . 2]" 1
1953 1 98 ALA HA 1 113 PHE QD . . 3.970 3.136 2.973 3.313 . 0 0 "[ . 1 . 2]" 1
1954 1 98 ALA HA 1 113 PHE QE . . 4.380 4.277 4.135 4.394 0.014 12 0 "[ . 1 . 2]" 1
1955 1 98 ALA MB 1 99 PHE H . . 3.440 2.839 2.644 2.966 . 0 0 "[ . 1 . 2]" 1
1956 1 98 ALA MB 1 99 PHE HA . . 4.930 3.974 3.866 4.047 . 0 0 "[ . 1 . 2]" 1
1957 1 98 ALA MB 1 111 HIS H . . 4.800 4.090 3.661 4.350 . 0 0 "[ . 1 . 2]" 1
1958 1 98 ALA MB 1 112 VAL HA . . 3.560 2.192 1.928 2.446 . 0 0 "[ . 1 . 2]" 1
1959 1 98 ALA MB 1 112 VAL MG1 . . 3.450 2.840 2.597 3.085 . 0 0 "[ . 1 . 2]" 1
1960 1 98 ALA MB 1 112 VAL MG2 . . 2.910 1.969 1.799 2.150 . 0 0 "[ . 1 . 2]" 1
1961 1 98 ALA MB 1 113 PHE H . . 4.350 3.416 3.222 3.629 . 0 0 "[ . 1 . 2]" 1
1962 1 98 ALA MB 1 113 PHE QD . . 4.650 4.373 4.170 4.541 . 0 0 "[ . 1 . 2]" 1
1963 1 99 PHE H 1 99 PHE QD . . 4.080 3.099 2.821 3.236 . 0 0 "[ . 1 . 2]" 1
1964 1 99 PHE H 1 99 PHE HZ . . 5.490 5.487 5.402 5.534 0.044 4 0 "[ . 1 . 2]" 1
1965 1 99 PHE H 1 100 ILE H . . 5.020 4.356 4.323 4.398 . 0 0 "[ . 1 . 2]" 1
1966 1 99 PHE H 1 111 HIS H . . 3.820 2.889 2.601 3.075 . 0 0 "[ . 1 . 2]" 1
1967 1 99 PHE H 1 111 HIS HB2 . . 4.600 3.756 3.572 3.971 . 0 0 "[ . 1 . 2]" 1
1968 1 99 PHE H 1 112 VAL HA . . 4.390 4.325 4.159 4.415 0.025 11 0 "[ . 1 . 2]" 1
1969 1 99 PHE H 1 112 VAL MG2 . . 4.900 4.607 4.332 4.762 . 0 0 "[ . 1 . 2]" 1
1970 1 99 PHE H 1 113 PHE QE . . 4.800 4.327 4.030 4.500 . 0 0 "[ . 1 . 2]" 1
1971 1 99 PHE HA 1 99 PHE QD . . 4.280 3.717 3.688 3.756 . 0 0 "[ . 1 . 2]" 1
1972 1 99 PHE HA 1 100 ILE H . . 3.350 2.275 2.245 2.328 . 0 0 "[ . 1 . 2]" 1
1973 1 99 PHE HA 1 100 ILE HB . . 4.920 4.712 4.605 4.791 . 0 0 "[ . 1 . 2]" 1
1974 1 99 PHE HA 1 100 ILE HG13 . . 4.770 3.403 3.279 3.550 . 0 0 "[ . 1 . 2]" 1
1975 1 99 PHE HB2 1 100 ILE H . . 3.860 3.102 2.924 3.224 . 0 0 "[ . 1 . 2]" 1
1976 1 99 PHE HB3 1 100 ILE H . . 4.280 4.198 4.093 4.272 . 0 0 "[ . 1 . 2]" 1
1977 1 99 PHE QD 1 100 ILE H . . 4.250 3.630 3.436 3.783 . 0 0 "[ . 1 . 2]" 1
1978 1 99 PHE QD 1 100 ILE HA . . 4.140 3.656 3.439 3.962 . 0 0 "[ . 1 . 2]" 1
1979 1 99 PHE QD 1 101 MET H . . 4.910 3.662 3.458 3.926 . 0 0 "[ . 1 . 2]" 1
1980 1 99 PHE QD 1 101 MET HB2 . . 4.590 4.236 4.020 4.409 . 0 0 "[ . 1 . 2]" 1
1981 1 99 PHE QD 1 101 MET HB3 . . 4.490 2.689 2.397 2.884 . 0 0 "[ . 1 . 2]" 1
1982 1 99 PHE QD 1 101 MET HG2 . . 4.780 4.422 3.713 4.798 0.018 6 0 "[ . 1 . 2]" 1
1983 1 99 PHE QD 1 111 HIS H . . 5.240 3.882 3.655 4.098 . 0 0 "[ . 1 . 2]" 1
1984 1 99 PHE QD 1 111 HIS HB2 . . 4.540 3.911 3.706 4.169 . 0 0 "[ . 1 . 2]" 1
1985 1 99 PHE QD 1 111 HIS HD2 . . 4.380 4.078 3.802 4.314 . 0 0 "[ . 1 . 2]" 1
1986 1 99 PHE QE 1 101 MET HB2 . . 4.460 3.439 3.187 3.689 . 0 0 "[ . 1 . 2]" 1
1987 1 99 PHE QE 1 101 MET HB3 . . 4.320 2.107 1.979 2.299 . 0 0 "[ . 1 . 2]" 1
1988 1 99 PHE QE 1 101 MET ME . . 4.170 3.472 3.188 3.774 . 0 0 "[ . 1 . 2]" 1
1989 1 99 PHE QE 1 101 MET HG2 . . 4.640 3.634 2.973 4.104 . 0 0 "[ . 1 . 2]" 1
1990 1 99 PHE QE 1 101 MET HG3 . . 4.700 4.539 4.070 4.763 0.063 14 0 "[ . 1 . 2]" 1
1991 1 99 PHE QE 1 111 HIS HB2 . . 4.630 3.032 2.812 3.255 . 0 0 "[ . 1 . 2]" 1
1992 1 99 PHE QE 1 111 HIS HB3 . . 5.000 3.962 3.653 4.398 . 0 0 "[ . 1 . 2]" 1
1993 1 99 PHE QE 1 111 HIS HD2 . . 3.910 2.728 2.342 3.228 . 0 0 "[ . 1 . 2]" 1
1994 1 99 PHE QE 1 113 PHE QD . . 3.720 3.622 3.343 3.733 0.013 18 0 "[ . 1 . 2]" 1
1995 1 99 PHE QE 1 113 PHE QE . . 3.710 2.179 1.994 2.465 . 0 0 "[ . 1 . 2]" 1
1996 1 99 PHE HZ 1 111 HIS HB2 . . 4.170 2.976 2.641 3.267 . 0 0 "[ . 1 . 2]" 1
1997 1 99 PHE HZ 1 111 HIS HD2 . . 4.280 3.600 3.166 4.036 . 0 0 "[ . 1 . 2]" 1
1998 1 100 ILE H 1 100 ILE HB . . 3.720 2.496 2.414 2.561 . 0 0 "[ . 1 . 2]" 1
1999 1 100 ILE H 1 100 ILE MD . . 4.140 3.601 3.408 3.791 . 0 0 "[ . 1 . 2]" 1
2000 1 100 ILE H 1 100 ILE HG12 . . 4.480 3.430 3.328 3.569 . 0 0 "[ . 1 . 2]" 1
2001 1 100 ILE H 1 100 ILE HG13 . . 4.200 2.189 2.063 2.332 . 0 0 "[ . 1 . 2]" 1
2002 1 100 ILE H 1 100 ILE MG . . 4.220 3.758 3.736 3.773 . 0 0 "[ . 1 . 2]" 1
2003 1 100 ILE H 1 101 MET H . . 4.680 4.508 4.418 4.562 . 0 0 "[ . 1 . 2]" 1
2004 1 100 ILE HA 1 100 ILE MD . . 3.960 3.850 3.782 3.907 . 0 0 "[ . 1 . 2]" 1
2005 1 100 ILE HA 1 100 ILE HG12 . . 3.680 2.608 2.503 2.720 . 0 0 "[ . 1 . 2]" 1
2006 1 100 ILE HA 1 100 ILE HG13 . . 4.190 3.103 3.012 3.200 . 0 0 "[ . 1 . 2]" 1
2007 1 100 ILE HA 1 100 ILE MG . . 3.570 2.298 2.203 2.433 . 0 0 "[ . 1 . 2]" 1
2008 1 100 ILE HA 1 101 MET H . . 3.260 2.192 2.177 2.218 . 0 0 "[ . 1 . 2]" 1
2009 1 100 ILE HA 1 101 MET HB3 . . 5.020 4.339 4.255 4.430 . 0 0 "[ . 1 . 2]" 1
2010 1 100 ILE HA 1 110 CYS HA . . 3.510 2.416 2.258 2.529 . 0 0 "[ . 1 . 2]" 1
2011 1 100 ILE HA 1 110 CYS HB2 . . 4.710 3.384 3.116 3.665 . 0 0 "[ . 1 . 2]" 1
2012 1 100 ILE HA 1 110 CYS HB3 . . 4.850 4.748 4.556 4.855 0.005 12 0 "[ . 1 . 2]" 1
2013 1 100 ILE HA 1 111 HIS H . . 4.280 4.102 3.907 4.285 0.005 6 0 "[ . 1 . 2]" 1
2014 1 100 ILE HB 1 100 ILE MD . . 3.180 2.353 2.238 2.461 . 0 0 "[ . 1 . 2]" 1
2015 1 100 ILE MD 1 100 ILE MG . . 2.990 1.944 1.872 2.021 . 0 0 "[ . 1 . 2]" 1
2016 1 100 ILE MD 1 108 PHE HB3 . . 4.370 4.232 4.023 4.391 0.021 8 0 "[ . 1 . 2]" 1
2017 1 100 ILE HG12 1 110 CYS H . . 5.480 5.108 4.798 5.265 . 0 0 "[ . 1 . 2]" 1
2018 1 100 ILE HG12 1 110 CYS HA . . 4.160 3.605 3.178 3.810 . 0 0 "[ . 1 . 2]" 1
2019 1 100 ILE HG12 1 110 CYS HB2 . . 3.900 2.578 2.309 2.833 . 0 0 "[ . 1 . 2]" 1
2020 1 100 ILE HG12 1 110 CYS HB3 . . 4.180 4.150 3.989 4.193 0.013 12 0 "[ . 1 . 2]" 1
2021 1 100 ILE HG13 1 110 CYS HA . . 4.620 4.455 4.299 4.598 . 0 0 "[ . 1 . 2]" 1
2022 1 100 ILE MG 1 101 MET H . . 3.620 2.570 2.316 2.965 . 0 0 "[ . 1 . 2]" 1
2023 1 100 ILE MG 1 101 MET HA . . 4.780 3.925 3.687 4.252 . 0 0 "[ . 1 . 2]" 1
2024 1 100 ILE MG 1 108 PHE H . . 5.140 4.916 4.679 5.142 0.002 12 0 "[ . 1 . 2]" 1
2025 1 100 ILE MG 1 108 PHE HA . . 4.420 3.652 3.385 3.845 . 0 0 "[ . 1 . 2]" 1
2026 1 100 ILE MG 1 108 PHE HB2 . . 3.870 2.954 2.687 3.313 . 0 0 "[ . 1 . 2]" 1
2027 1 100 ILE MG 1 108 PHE HB3 . . 3.430 1.965 1.857 2.186 . 0 0 "[ . 1 . 2]" 1
2028 1 100 ILE MG 1 108 PHE QD . . 4.070 3.353 3.139 3.586 . 0 0 "[ . 1 . 2]" 1
2029 1 100 ILE MG 1 108 PHE QE . . 4.940 4.680 4.357 4.882 . 0 0 "[ . 1 . 2]" 1
2030 1 100 ILE MG 1 109 GLU H . . 4.110 3.360 2.961 3.803 . 0 0 "[ . 1 . 2]" 1
2031 1 100 ILE MG 1 110 CYS HA . . 4.270 3.917 3.647 4.187 . 0 0 "[ . 1 . 2]" 1
2032 1 101 MET H 1 101 MET HB2 . . 4.030 3.725 3.623 3.807 . 0 0 "[ . 1 . 2]" 1
2033 1 101 MET H 1 101 MET HB3 . . 4.080 2.836 2.637 3.058 . 0 0 "[ . 1 . 2]" 1
2034 1 101 MET H 1 101 MET ME . . 4.690 4.721 4.603 4.766 0.076 11 0 "[ . 1 . 2]" 1
2035 1 101 MET H 1 101 MET HG2 . . 4.420 2.359 2.025 3.274 . 0 0 "[ . 1 . 2]" 1
2036 1 101 MET H 1 101 MET HG3 . . 4.400 3.103 2.329 3.468 . 0 0 "[ . 1 . 2]" 1
2037 1 101 MET H 1 109 GLU H . . 4.060 2.733 2.442 3.053 . 0 0 "[ . 1 . 2]" 1
2038 1 101 MET H 1 110 CYS HA . . 4.440 3.468 3.231 3.617 . 0 0 "[ . 1 . 2]" 1
2039 1 101 MET H 1 111 HIS HD2 . . 4.980 4.144 3.806 4.385 . 0 0 "[ . 1 . 2]" 1
2040 1 101 MET HA 1 101 MET ME . . 4.290 4.180 4.036 4.311 0.021 6 0 "[ . 1 . 2]" 1
2041 1 101 MET HA 1 102 ASP H . . 3.130 2.491 2.375 2.517 . 0 0 "[ . 1 . 2]" 1
2042 1 101 MET HA 1 102 ASP HB2 . . 4.990 4.636 4.435 4.751 . 0 0 "[ . 1 . 2]" 1
2043 1 101 MET HA 1 102 ASP HB3 . . 4.920 4.372 4.275 4.571 . 0 0 "[ . 1 . 2]" 1
2044 1 101 MET HB2 1 102 ASP H . . 4.470 2.586 2.508 2.848 . 0 0 "[ . 1 . 2]" 1
2045 1 101 MET HB2 1 103 THR MG . . 4.240 4.004 3.551 4.381 0.141 6 0 "[ . 1 . 2]" 1
2046 1 101 MET HB2 1 109 GLU H . . 4.860 4.827 4.640 4.917 0.057 16 0 "[ . 1 . 2]" 1
2047 1 101 MET HB2 1 111 HIS HD2 . . 4.820 4.769 4.610 4.833 0.013 2 0 "[ . 1 . 2]" 1
2048 1 101 MET HB3 1 102 ASP H . . 4.300 3.959 3.895 4.118 . 0 0 "[ . 1 . 2]" 1
2049 1 101 MET HB3 1 103 THR MG . . 4.900 4.802 4.468 4.976 0.076 6 0 "[ . 1 . 2]" 1
2050 1 101 MET HB3 1 109 GLU H . . 4.950 4.665 4.438 4.946 . 0 0 "[ . 1 . 2]" 1
2051 1 101 MET HB3 1 111 HIS HD2 . . 4.510 3.488 3.275 3.844 . 0 0 "[ . 1 . 2]" 1
2052 1 101 MET ME 1 101 MET HG2 . . 3.920 3.190 2.389 3.389 . 0 0 "[ . 1 . 2]" 1
2053 1 101 MET ME 1 101 MET HG3 . . 3.820 2.622 2.331 3.375 . 0 0 "[ . 1 . 2]" 1
2054 1 101 MET ME 1 102 ASP H . . 4.140 3.636 3.339 4.084 . 0 0 "[ . 1 . 2]" 1
2055 1 101 MET ME 1 103 THR H . . 4.720 4.565 4.239 4.755 0.035 16 0 "[ . 1 . 2]" 1
2056 1 101 MET ME 1 103 THR HA . . 3.760 3.660 3.447 3.774 0.014 9 0 "[ . 1 . 2]" 1
2057 1 101 MET ME 1 103 THR HB . . 4.600 4.358 3.716 4.662 0.062 4 0 "[ . 1 . 2]" 1
2058 1 101 MET ME 1 103 THR MG . . 3.030 2.277 1.790 2.983 . 0 0 "[ . 1 . 2]" 1
2059 1 101 MET ME 1 111 HIS HD2 . . 4.310 4.105 3.898 4.315 0.005 10 0 "[ . 1 . 2]" 1
2060 1 101 MET HG2 1 102 ASP H . . 4.590 4.509 4.302 4.660 0.070 6 0 "[ . 1 . 2]" 1
2061 1 101 MET HG2 1 103 THR MG . . 3.770 3.531 3.198 3.779 0.009 5 0 "[ . 1 . 2]" 1
2062 1 101 MET HG2 1 109 GLU H . . 4.270 2.726 2.075 3.977 . 0 0 "[ . 1 . 2]" 1
2063 1 101 MET HG2 1 111 HIS HD2 . . 4.250 2.994 2.305 3.494 . 0 0 "[ . 1 . 2]" 1
2064 1 101 MET HG3 1 102 ASP H . . 4.580 3.481 3.172 3.831 . 0 0 "[ . 1 . 2]" 1
2065 1 101 MET HG3 1 103 THR MG . . 4.090 2.423 2.125 3.011 . 0 0 "[ . 1 . 2]" 1
2066 1 101 MET HG3 1 109 GLU H . . 5.070 2.722 1.954 3.045 . 0 0 "[ . 1 . 2]" 1
2067 1 101 MET HG3 1 111 HIS HD2 . . 4.600 4.281 3.587 4.624 0.024 18 0 "[ . 1 . 2]" 1
2068 1 102 ASP H 1 102 ASP HB2 . . 3.800 3.211 3.027 3.328 . 0 0 "[ . 1 . 2]" 1
2069 1 102 ASP H 1 102 ASP HB3 . . 3.730 2.376 2.227 2.478 . 0 0 "[ . 1 . 2]" 1
2070 1 102 ASP H 1 103 THR H . . 5.300 4.238 4.029 4.546 . 0 0 "[ . 1 . 2]" 1
2071 1 102 ASP HA 1 103 THR H . . 3.170 2.271 2.252 2.348 . 0 0 "[ . 1 . 2]" 1
2072 1 102 ASP HA 1 103 THR MG . . 4.140 3.587 3.152 4.020 . 0 0 "[ . 1 . 2]" 1
2073 1 102 ASP HA 1 104 GLY H . . 4.290 3.886 3.252 4.302 0.012 20 0 "[ . 1 . 2]" 1
2074 1 102 ASP HA 1 108 PHE HA . . 3.890 2.752 2.310 3.308 . 0 0 "[ . 1 . 2]" 1
2075 1 102 ASP HA 1 108 PHE HB3 . . 4.770 4.334 3.849 4.738 . 0 0 "[ . 1 . 2]" 1
2076 1 102 ASP HA 1 108 PHE QD . . 3.600 2.454 2.067 2.666 . 0 0 "[ . 1 . 2]" 1
2077 1 102 ASP HA 1 108 PHE QE . . 4.560 4.048 3.532 4.457 . 0 0 "[ . 1 . 2]" 1
2078 1 102 ASP HA 1 109 GLU H . . 4.850 3.852 3.365 4.400 . 0 0 "[ . 1 . 2]" 1
2079 1 102 ASP HB2 1 103 THR H . . 4.860 4.287 3.877 4.507 . 0 0 "[ . 1 . 2]" 1
2080 1 102 ASP HB2 1 108 PHE QD . . 4.100 2.835 2.398 3.340 . 0 0 "[ . 1 . 2]" 1
2081 1 102 ASP HB2 1 108 PHE QE . . 4.340 3.035 2.707 3.166 . 0 0 "[ . 1 . 2]" 1
2082 1 102 ASP HB3 1 108 PHE QD . . 4.730 4.367 3.991 4.744 0.014 6 0 "[ . 1 . 2]" 1
2083 1 102 ASP HB3 1 108 PHE QE . . 4.720 4.682 4.329 4.734 0.014 11 0 "[ . 1 . 2]" 1
2084 1 103 THR H 1 103 THR MG . . 3.460 2.357 1.888 2.939 . 0 0 "[ . 1 . 2]" 1
2085 1 103 THR H 1 104 GLY H . . 3.380 2.335 1.997 2.776 . 0 0 "[ . 1 . 2]" 1
2086 1 103 THR H 1 108 PHE HA . . 4.380 3.460 2.592 3.918 . 0 0 "[ . 1 . 2]" 1
2087 1 103 THR H 1 108 PHE QD . . 4.440 4.203 3.704 4.455 0.015 16 0 "[ . 1 . 2]" 1
2088 1 103 THR HA 1 103 THR HB . . 2.980 2.497 2.421 2.623 . 0 0 "[ . 1 . 2]" 1
2089 1 103 THR HA 1 103 THR MG . . 3.160 2.472 2.273 2.613 . 0 0 "[ . 1 . 2]" 1
2090 1 103 THR MG 1 104 GLY H . . 4.600 3.858 3.553 4.294 . 0 0 "[ . 1 . 2]" 1
2091 1 103 THR MG 1 108 PHE HA . . 4.470 3.898 2.845 4.374 . 0 0 "[ . 1 . 2]" 1
2092 1 103 THR MG 1 109 GLU H . . 4.320 3.469 2.856 3.978 . 0 0 "[ . 1 . 2]" 1
2093 1 103 THR MG 1 109 GLU HG3 . . 3.970 2.740 1.938 3.722 . 0 0 "[ . 1 . 2]" 1
2094 1 104 GLY H 1 105 ASN H . . 4.150 4.083 3.086 4.305 0.155 17 0 "[ . 1 . 2]" 1
2095 1 104 GLY H 1 107 ARG H . . 4.460 3.769 2.883 4.468 0.008 3 0 "[ . 1 . 2]" 1
2096 1 105 ASN H 1 106 GLN H . . 4.490 3.896 2.697 4.659 0.169 15 0 "[ . 1 . 2]" 1
2097 1 105 ASN HA 1 106 GLN HG3 . . 4.600 4.269 3.751 4.646 0.046 18 0 "[ . 1 . 2]" 1
2098 1 105 ASN QB 1 106 GLN H . . 4.730 2.660 1.882 3.969 . 0 0 "[ . 1 . 2]" 1
2099 1 105 ASN QB 1 107 ARG H . . 4.870 3.570 2.191 4.352 . 0 0 "[ . 1 . 2]" 1
2100 1 105 ASN QB 1 107 ARG QG . . 5.080 3.979 3.353 4.650 . 0 0 "[ . 1 . 2]" 1
2101 1 106 GLN H 1 106 GLN HG3 . . 3.950 2.781 2.304 4.037 0.087 18 0 "[ . 1 . 2]" 1
2102 1 106 GLN H 1 107 ARG H . . 3.620 3.001 2.006 3.586 . 0 0 "[ . 1 . 2]" 1
2103 1 106 GLN HA 1 106 GLN HG2 . . 3.380 2.929 2.622 3.069 . 0 0 "[ . 1 . 2]" 1
2104 1 106 GLN HA 1 107 ARG H . . 3.630 2.858 2.625 3.145 . 0 0 "[ . 1 . 2]" 1
2105 1 106 GLN HA 1 108 PHE QE . . 4.730 3.848 3.432 4.107 . 0 0 "[ . 1 . 2]" 1
2106 1 106 GLN HA 1 108 PHE HZ . . 3.950 3.605 3.081 3.916 . 0 0 "[ . 1 . 2]" 1
2107 1 106 GLN HB2 1 106 GLN HG3 . . 2.850 2.781 2.595 2.860 0.010 6 0 "[ . 1 . 2]" 1
2108 1 106 GLN HB2 1 107 ARG H . . 4.480 4.297 3.942 4.513 0.033 2 0 "[ . 1 . 2]" 1
2109 1 106 GLN HB3 1 107 ARG H . . 5.180 4.476 4.412 4.530 . 0 0 "[ . 1 . 2]" 1
2110 1 106 GLN HB3 1 108 PHE QE . . 4.730 4.494 3.825 4.753 0.023 16 0 "[ . 1 . 2]" 1
2111 1 106 GLN HB3 1 108 PHE HZ . . 5.070 4.758 3.990 5.080 0.010 18 0 "[ . 1 . 2]" 1
2112 1 106 GLN HG2 1 108 PHE HZ . . 4.810 4.750 4.120 4.825 0.015 11 0 "[ . 1 . 2]" 1
2113 1 106 GLN HG3 1 107 ARG H . . 4.680 4.721 4.643 4.794 0.114 18 0 "[ . 1 . 2]" 1
2114 1 107 ARG H 1 107 ARG HB2 . . 3.740 2.461 2.167 3.367 . 0 0 "[ . 1 . 2]" 1
2115 1 107 ARG H 1 107 ARG HB3 . . 3.570 3.347 2.530 3.523 . 0 0 "[ . 1 . 2]" 1
2116 1 107 ARG H 1 107 ARG HD3 . . 5.500 4.896 2.908 5.789 0.289 12 0 "[ . 1 . 2]" 1
2117 1 107 ARG H 1 107 ARG QG . . 4.160 3.649 2.849 3.896 . 0 0 "[ . 1 . 2]" 1
2118 1 107 ARG H 1 108 PHE H . . 4.500 4.464 4.381 4.611 0.111 13 0 "[ . 1 . 2]" 1
2119 1 107 ARG H 1 108 PHE HA . . 5.500 4.928 4.772 5.221 . 0 0 "[ . 1 . 2]" 1
2120 1 107 ARG HA 1 107 ARG HD2 . . 3.960 3.280 2.216 3.922 . 0 0 "[ . 1 . 2]" 1
2121 1 107 ARG HA 1 107 ARG QG . . 3.890 2.301 2.020 2.639 . 0 0 "[ . 1 . 2]" 1
2122 1 107 ARG HA 1 108 PHE H . . 2.960 2.320 2.245 2.427 . 0 0 "[ . 1 . 2]" 1
2123 1 107 ARG HA 1 108 PHE HA . . 4.910 4.447 4.417 4.480 . 0 0 "[ . 1 . 2]" 1
2124 1 107 ARG HB2 1 107 ARG HD3 . . 4.040 3.744 2.576 4.198 0.158 12 0 "[ . 1 . 2]" 1
2125 1 107 ARG HB2 1 108 PHE H . . 4.380 4.313 3.994 4.537 0.157 12 0 "[ . 1 . 2]" 1
2126 1 107 ARG HB3 1 107 ARG HD3 . . 4.040 3.161 2.428 3.764 . 0 0 "[ . 1 . 2]" 1
2127 1 107 ARG HB3 1 108 PHE H . . 4.540 3.282 2.706 4.292 . 0 0 "[ . 1 . 2]" 1
2128 1 107 ARG HD2 1 108 PHE H . . 4.560 3.514 2.417 4.572 0.012 15 0 "[ . 1 . 2]" 1
2129 1 107 ARG QG 1 108 PHE H . . 4.620 3.696 2.232 4.218 . 0 0 "[ . 1 . 2]" 1
2130 1 108 PHE H 1 108 PHE HB2 . . 3.870 2.688 2.595 2.760 . 0 0 "[ . 1 . 2]" 1
2131 1 108 PHE H 1 108 PHE QD . . 3.960 3.413 2.956 3.590 . 0 0 "[ . 1 . 2]" 1
2132 1 108 PHE H 1 108 PHE QE . . 5.240 4.987 4.650 5.096 . 0 0 "[ . 1 . 2]" 1
2133 1 108 PHE H 1 109 GLU H . . 4.940 4.340 4.163 4.491 . 0 0 "[ . 1 . 2]" 1
2134 1 108 PHE HA 1 108 PHE QD . . 3.730 2.429 2.223 2.718 . 0 0 "[ . 1 . 2]" 1
2135 1 108 PHE HA 1 108 PHE QE . . 4.760 4.627 4.545 4.766 0.006 11 0 "[ . 1 . 2]" 1
2136 1 108 PHE HA 1 109 GLU H . . 3.150 2.253 2.193 2.375 . 0 0 "[ . 1 . 2]" 1
2137 1 108 PHE HA 1 109 GLU HG3 . . 4.940 3.992 3.212 5.591 0.651 11 1 "[ . 1+ . 2]" 1
2138 1 108 PHE HB2 1 109 GLU H . . 4.830 4.060 3.700 4.314 . 0 0 "[ . 1 . 2]" 1
2139 1 108 PHE HB3 1 109 GLU H . . 4.500 3.237 2.821 3.676 . 0 0 "[ . 1 . 2]" 1
2140 1 108 PHE QD 1 109 GLU H . . 4.940 4.169 4.038 4.365 . 0 0 "[ . 1 . 2]" 1
2141 1 109 GLU H 1 109 GLU HB2 . . 4.070 2.568 2.454 2.884 . 0 0 "[ . 1 . 2]" 1
2142 1 109 GLU H 1 109 GLU HG3 . . 4.090 3.082 2.527 4.595 0.505 11 1 "[ . 1+ . 2]" 1
2143 1 109 GLU HA 1 109 GLU HG3 . . 3.570 3.036 2.428 3.743 0.173 13 0 "[ . 1 . 2]" 1
2144 1 109 GLU HA 1 110 CYS H . . 3.110 2.267 2.207 2.380 . 0 0 "[ . 1 . 2]" 1
2145 1 109 GLU HB2 1 110 CYS H . . 5.030 4.161 4.000 4.379 . 0 0 "[ . 1 . 2]" 1
2146 1 109 GLU HB2 1 111 HIS HD2 . . 4.540 3.589 3.170 4.372 . 0 0 "[ . 1 . 2]" 1
2147 1 109 GLU HB3 1 110 CYS H . . 4.190 3.143 2.763 3.488 . 0 0 "[ . 1 . 2]" 1
2148 1 109 GLU HB3 1 111 HIS HD2 . . 4.850 3.744 3.431 4.041 . 0 0 "[ . 1 . 2]" 1
2149 1 109 GLU HG3 1 110 CYS H . . 4.760 5.006 4.507 5.264 0.504 13 1 "[ . 1 + . 2]" 1
2150 1 110 CYS H 1 110 CYS HB2 . . 3.930 2.868 2.680 3.058 . 0 0 "[ . 1 . 2]" 1
2151 1 110 CYS H 1 110 CYS HB3 . . 3.780 2.692 2.514 2.869 . 0 0 "[ . 1 . 2]" 1
2152 1 110 CYS H 1 111 HIS H . . 4.810 4.211 4.058 4.435 . 0 0 "[ . 1 . 2]" 1
2153 1 110 CYS H 1 111 HIS HD2 . . 5.000 4.835 4.470 5.010 0.010 12 0 "[ . 1 . 2]" 1
2154 1 110 CYS HA 1 110 CYS HG . . 3.880 2.412 2.096 3.051 . 0 0 "[ . 1 . 2]" 1
2155 1 110 CYS HA 1 111 HIS H . . 3.220 2.232 2.221 2.253 . 0 0 "[ . 1 . 2]" 1
2156 1 110 CYS HA 1 111 HIS HB2 . . 4.770 4.597 4.545 4.746 . 0 0 "[ . 1 . 2]" 1
2157 1 110 CYS HA 1 111 HIS HD2 . . 4.590 3.784 3.459 4.073 . 0 0 "[ . 1 . 2]" 1
2158 1 110 CYS HB2 1 111 HIS H . . 4.780 4.538 4.270 4.618 . 0 0 "[ . 1 . 2]" 1
2159 1 110 CYS HB3 1 111 HIS H . . 5.010 4.363 4.150 4.468 . 0 0 "[ . 1 . 2]" 1
2160 1 110 CYS HG 1 111 HIS H . . 4.220 3.024 2.129 3.679 . 0 0 "[ . 1 . 2]" 1
2161 1 111 HIS H 1 111 HIS HB2 . . 3.800 2.403 2.349 2.526 . 0 0 "[ . 1 . 2]" 1
2162 1 111 HIS H 1 111 HIS HD2 . . 4.020 2.698 2.317 2.992 . 0 0 "[ . 1 . 2]" 1
2163 1 111 HIS H 1 112 VAL H . . 5.310 4.380 4.173 4.618 . 0 0 "[ . 1 . 2]" 1
2164 1 111 HIS H 1 112 VAL MG2 . . 4.610 4.591 4.332 4.662 0.052 9 0 "[ . 1 . 2]" 1
2165 1 111 HIS HB2 1 111 HIS HD2 . . 3.830 2.907 2.844 2.975 . 0 0 "[ . 1 . 2]" 1
2166 1 111 HIS HB2 1 112 VAL H . . 4.630 4.429 3.952 4.544 . 0 0 "[ . 1 . 2]" 1
2167 1 111 HIS HB2 1 113 PHE QE . . 4.220 2.042 1.991 2.269 . 0 0 "[ . 1 . 2]" 1
2168 1 111 HIS HB3 1 112 VAL H . . 4.600 3.628 2.863 3.872 . 0 0 "[ . 1 . 2]" 1
2169 1 111 HIS HB3 1 113 PHE QE . . 4.220 2.208 2.060 2.571 . 0 0 "[ . 1 . 2]" 1
2170 1 111 HIS HB3 1 113 PHE HZ . . 4.150 2.240 2.098 2.494 . 0 0 "[ . 1 . 2]" 1
2171 1 112 VAL H 1 112 VAL HB . . 3.510 2.372 2.304 2.559 . 0 0 "[ . 1 . 2]" 1
2172 1 112 VAL H 1 112 VAL MG1 . . 4.330 3.724 3.691 3.811 . 0 0 "[ . 1 . 2]" 1
2173 1 112 VAL H 1 112 VAL MG2 . . 3.320 2.422 2.263 2.810 . 0 0 "[ . 1 . 2]" 1
2174 1 112 VAL H 1 113 PHE H . . 5.280 4.578 4.425 4.617 . 0 0 "[ . 1 . 2]" 1
2175 1 112 VAL HA 1 112 VAL MG1 . . 3.400 2.400 2.316 2.537 . 0 0 "[ . 1 . 2]" 1
2176 1 112 VAL HA 1 112 VAL MG2 . . 3.320 2.340 2.220 2.424 . 0 0 "[ . 1 . 2]" 1
2177 1 112 VAL HA 1 113 PHE H . . 3.100 2.272 2.246 2.291 . 0 0 "[ . 1 . 2]" 1
2178 1 112 VAL HA 1 113 PHE QD . . 4.010 3.587 3.362 3.792 . 0 0 "[ . 1 . 2]" 1
2179 1 112 VAL HA 1 113 PHE QE . . 5.020 4.751 4.592 4.909 . 0 0 "[ . 1 . 2]" 1
2180 1 112 VAL HB 1 113 PHE H . . 5.150 4.096 4.043 4.150 . 0 0 "[ . 1 . 2]" 1
2181 1 112 VAL MG1 1 113 PHE H . . 3.380 2.196 2.041 2.441 . 0 0 "[ . 1 . 2]" 1
2182 1 112 VAL MG1 1 113 PHE HA . . 4.300 3.470 3.240 3.622 . 0 0 "[ . 1 . 2]" 1
2183 1 112 VAL MG1 1 113 PHE QD . . 4.780 4.604 4.498 4.679 . 0 0 "[ . 1 . 2]" 1
2184 1 112 VAL MG1 1 114 TRP H . . 5.080 4.908 4.812 4.990 . 0 0 "[ . 1 . 2]" 1
2185 1 112 VAL MG1 1 114 TRP HA . . 5.210 4.813 4.732 4.902 . 0 0 "[ . 1 . 2]" 1
2186 1 112 VAL MG2 1 113 PHE H . . 4.150 3.930 3.859 4.008 . 0 0 "[ . 1 . 2]" 1
2187 1 113 PHE H 1 113 PHE HB2 . . 3.960 2.705 2.670 2.737 . 0 0 "[ . 1 . 2]" 1
2188 1 113 PHE H 1 113 PHE QD . . 3.690 3.280 3.147 3.424 . 0 0 "[ . 1 . 2]" 1
2189 1 113 PHE H 1 114 TRP H . . 4.920 4.417 4.412 4.421 . 0 0 "[ . 1 . 2]" 1
2190 1 113 PHE HA 1 113 PHE QD . . 3.920 2.770 2.637 2.896 . 0 0 "[ . 1 . 2]" 1
2191 1 113 PHE HA 1 114 TRP H . . 3.160 2.478 2.438 2.510 . 0 0 "[ . 1 . 2]" 1
2192 1 113 PHE HB2 1 114 TRP H . . 3.750 3.673 3.602 3.764 0.014 19 0 "[ . 1 . 2]" 1
2193 1 113 PHE HB3 1 114 TRP H . . 3.880 2.524 2.453 2.613 . 0 0 "[ . 1 . 2]" 1
2194 1 113 PHE QD 1 114 TRP H . . 4.560 3.759 3.642 3.871 . 0 0 "[ . 1 . 2]" 1
2195 1 114 TRP H 1 114 TRP HB2 . . 3.950 3.051 2.965 3.161 . 0 0 "[ . 1 . 2]" 1
2196 1 114 TRP H 1 114 TRP HB3 . . 3.600 2.583 2.506 2.630 . 0 0 "[ . 1 . 2]" 1
2197 1 114 TRP HA 1 114 TRP HE3 . . 4.360 3.612 3.241 3.921 . 0 0 "[ . 1 . 2]" 1
2198 1 114 TRP HA 1 115 CYS H . . 3.020 2.209 2.204 2.235 . 0 0 "[ . 1 . 2]" 1
2199 1 114 TRP HB2 1 114 TRP HE3 . . 3.780 2.370 2.331 2.449 . 0 0 "[ . 1 . 2]" 1
2200 1 114 TRP HB2 1 114 TRP HZ3 . . 5.030 4.816 4.787 4.877 . 0 0 "[ . 1 . 2]" 1
2201 1 114 TRP HB2 1 115 CYS H . . 5.080 4.442 4.368 4.516 . 0 0 "[ . 1 . 2]" 1
2202 1 114 TRP HB3 1 115 CYS H . . 5.140 4.431 4.325 4.532 . 0 0 "[ . 1 . 2]" 1
2203 1 114 TRP HD1 1 115 CYS H . . 4.440 3.913 3.397 4.441 0.001 18 0 "[ . 1 . 2]" 1
2204 1 114 TRP HD1 1 115 CYS HA . . 4.680 3.744 3.337 4.064 . 0 0 "[ . 1 . 2]" 1
2205 1 114 TRP HD1 1 116 GLU H . . 5.070 4.445 4.056 4.792 . 0 0 "[ . 1 . 2]" 1
2206 1 114 TRP HD1 1 116 GLU QG . . 3.700 2.320 2.031 2.709 . 0 0 "[ . 1 . 2]" 1
2207 1 114 TRP HE1 1 116 GLU QG . . 3.990 1.908 1.822 2.004 . 0 0 "[ . 1 . 2]" 1
2208 1 115 CYS H 1 115 CYS HB2 . . 3.940 2.789 2.659 2.901 . 0 0 "[ . 1 . 2]" 1
2209 1 115 CYS H 1 115 CYS HB3 . . 4.110 3.740 3.661 3.828 . 0 0 "[ . 1 . 2]" 1
2210 1 115 CYS H 1 115 CYS HG . . 3.810 2.239 2.050 2.524 . 0 0 "[ . 1 . 2]" 1
2211 1 115 CYS H 1 116 GLU H . . 5.120 4.511 4.424 4.581 . 0 0 "[ . 1 . 2]" 1
2212 1 115 CYS H 1 119 ALA HA . . 4.800 4.749 4.569 4.825 0.025 13 0 "[ . 1 . 2]" 1
2213 1 115 CYS H 1 119 ALA MB . . 4.640 3.208 3.094 3.336 . 0 0 "[ . 1 . 2]" 1
2214 1 115 CYS HA 1 116 GLU H . . 3.050 2.352 2.292 2.457 . 0 0 "[ . 1 . 2]" 1
2215 1 115 CYS HB2 1 116 GLU H . . 4.650 3.706 3.417 3.910 . 0 0 "[ . 1 . 2]" 1
2216 1 115 CYS HB2 1 119 ALA HA . . 3.290 2.188 1.998 2.292 . 0 0 "[ . 1 . 2]" 1
2217 1 115 CYS HB2 1 119 ALA MB . . 3.390 2.224 2.040 2.428 . 0 0 "[ . 1 . 2]" 1
2218 1 115 CYS HB2 1 122 VAL MG2 . . 4.220 3.365 3.127 3.570 . 0 0 "[ . 1 . 2]" 1
2219 1 115 CYS HB3 1 116 GLU H . . 4.100 2.961 2.730 3.132 . 0 0 "[ . 1 . 2]" 1
2220 1 115 CYS HB3 1 119 ALA HA . . 3.480 3.061 2.763 3.397 . 0 0 "[ . 1 . 2]" 1
2221 1 115 CYS HB3 1 119 ALA MB . . 4.040 3.534 3.352 3.743 . 0 0 "[ . 1 . 2]" 1
2222 1 115 CYS HB3 1 122 VAL MG2 . . 3.710 2.214 1.995 2.480 . 0 0 "[ . 1 . 2]" 1
2223 1 115 CYS HG 1 119 ALA HA . . 4.240 3.953 3.655 4.218 . 0 0 "[ . 1 . 2]" 1
2224 1 115 CYS HG 1 119 ALA MB . . 3.660 2.363 2.022 2.748 . 0 0 "[ . 1 . 2]" 1
2225 1 115 CYS HG 1 122 VAL MG2 . . 4.240 4.147 3.981 4.256 0.016 9 0 "[ . 1 . 2]" 1
2226 1 116 GLU H 1 116 GLU HB2 . . 3.590 2.701 2.507 2.895 . 0 0 "[ . 1 . 2]" 1
2227 1 116 GLU H 1 116 GLU HB3 . . 4.040 3.771 3.641 3.858 . 0 0 "[ . 1 . 2]" 1
2228 1 116 GLU H 1 116 GLU QG . . 4.070 3.196 2.985 3.523 . 0 0 "[ . 1 . 2]" 1
2229 1 116 GLU HA 1 117 PRO HA . . 3.110 2.072 1.999 2.130 . 0 0 "[ . 1 . 2]" 1
2230 1 116 GLU HA 1 118 ASN H . . 3.780 3.148 2.729 3.742 . 0 0 "[ . 1 . 2]" 1
2231 1 116 GLU HB2 1 117 PRO HA . . 4.130 3.582 3.350 3.796 . 0 0 "[ . 1 . 2]" 1
2232 1 116 GLU HB3 1 117 PRO HA . . 3.190 2.150 1.976 2.432 . 0 0 "[ . 1 . 2]" 1
2233 1 117 PRO HB3 1 118 ASN H . . 4.480 4.357 4.030 4.542 0.062 2 0 "[ . 1 . 2]" 1
2234 1 117 PRO HD2 1 118 ASN H . . 3.190 2.380 2.254 2.534 . 0 0 "[ . 1 . 2]" 1
2235 1 117 PRO HD3 1 118 ASN H . . 4.090 3.704 3.657 3.747 . 0 0 "[ . 1 . 2]" 1
2236 1 117 PRO HG2 1 118 ASN H . . 3.790 3.176 2.513 3.629 . 0 0 "[ . 1 . 2]" 1
2237 1 117 PRO HG2 1 118 ASN HD21 . . 5.210 4.611 4.144 5.201 . 0 0 "[ . 1 . 2]" 1
2238 1 117 PRO HG2 1 118 ASN HD22 . . 5.140 3.781 3.168 4.268 . 0 0 "[ . 1 . 2]" 1
2239 1 117 PRO HG3 1 118 ASN H . . 4.560 4.303 3.877 4.599 0.039 2 0 "[ . 1 . 2]" 1
2240 1 118 ASN H 1 119 ALA H . . 5.110 4.413 4.295 4.513 . 0 0 "[ . 1 . 2]" 1
2241 1 118 ASN H 1 120 ALA H . . 4.490 4.105 4.000 4.222 . 0 0 "[ . 1 . 2]" 1
2242 1 118 ASN HA 1 119 ALA H . . 3.330 2.450 2.386 2.512 . 0 0 "[ . 1 . 2]" 1
2243 1 118 ASN HA 1 119 ALA MB . . 4.490 3.986 3.914 4.035 . 0 0 "[ . 1 . 2]" 1
2244 1 118 ASN HA 1 120 ALA H . . 4.670 4.152 3.960 4.341 . 0 0 "[ . 1 . 2]" 1
2245 1 118 ASN HA 1 120 ALA MB . . 4.730 4.770 4.723 4.832 0.102 1 0 "[ . 1 . 2]" 1
2246 1 118 ASN HB2 1 118 ASN HD22 . . 4.060 3.695 3.447 3.848 . 0 0 "[ . 1 . 2]" 1
2247 1 118 ASN HB2 1 119 ALA H . . 3.750 2.715 2.542 3.160 . 0 0 "[ . 1 . 2]" 1
2248 1 118 ASN HB2 1 120 ALA H . . 4.670 2.657 2.265 3.027 . 0 0 "[ . 1 . 2]" 1
2249 1 118 ASN HB2 1 120 ALA MB . . 4.890 2.528 2.213 2.752 . 0 0 "[ . 1 . 2]" 1
2250 1 118 ASN HB3 1 119 ALA H . . 3.500 3.674 3.136 3.782 0.282 12 0 "[ . 1 . 2]" 1
2251 1 118 ASN HB3 1 120 ALA H . . 4.220 4.210 3.844 4.598 0.378 1 0 "[ . 1 . 2]" 1
2252 1 118 ASN HB3 1 120 ALA MB . . 4.490 3.844 3.456 4.105 . 0 0 "[ . 1 . 2]" 1
2253 1 118 ASN HD21 1 120 ALA H . . 4.990 4.417 3.194 4.859 . 0 0 "[ . 1 . 2]" 1
2254 1 118 ASN HD21 1 120 ALA MB . . 4.480 3.070 1.883 3.702 . 0 0 "[ . 1 . 2]" 1
2255 1 118 ASN HD22 1 120 ALA MB . . 4.350 3.315 2.689 4.099 . 0 0 "[ . 1 . 2]" 1
2256 1 119 ALA H 1 119 ALA MB . . 3.170 2.139 2.006 2.241 . 0 0 "[ . 1 . 2]" 1
2257 1 119 ALA HA 1 120 ALA MB . . 4.810 4.528 4.408 4.627 . 0 0 "[ . 1 . 2]" 1
2258 1 119 ALA HA 1 122 VAL H . . 4.400 3.139 2.843 3.403 . 0 0 "[ . 1 . 2]" 1
2259 1 119 ALA HA 1 122 VAL HB . . 4.110 2.541 2.031 2.902 . 0 0 "[ . 1 . 2]" 1
2260 1 119 ALA HA 1 122 VAL MG1 . . 4.550 3.887 3.436 4.286 . 0 0 "[ . 1 . 2]" 1
2261 1 119 ALA HA 1 122 VAL MG2 . . 4.080 3.343 2.794 3.645 . 0 0 "[ . 1 . 2]" 1
2262 1 119 ALA HA 1 123 SER H . . 4.820 3.613 3.394 4.064 . 0 0 "[ . 1 . 2]" 1
2263 1 119 ALA MB 1 121 ASN H . . 5.240 5.027 4.701 5.257 0.017 9 0 "[ . 1 . 2]" 1
2264 1 119 ALA MB 1 122 VAL H . . 4.470 4.270 4.002 4.493 0.023 18 0 "[ . 1 . 2]" 1
2265 1 119 ALA MB 1 122 VAL HB . . 4.260 3.077 2.613 3.379 . 0 0 "[ . 1 . 2]" 1
2266 1 119 ALA MB 1 122 VAL MG1 . . 4.160 3.218 2.579 3.660 . 0 0 "[ . 1 . 2]" 1
2267 1 119 ALA MB 1 123 SER H . . 4.240 3.231 2.943 3.928 . 0 0 "[ . 1 . 2]" 1
2268 1 119 ALA MB 1 123 SER HB2 . . 4.170 3.141 2.710 3.414 . 0 0 "[ . 1 . 2]" 1
2269 1 119 ALA MB 1 123 SER HB3 . . 4.190 3.778 3.574 4.013 . 0 0 "[ . 1 . 2]" 1
2270 1 120 ALA H 1 120 ALA MB . . 2.800 2.078 1.972 2.133 . 0 0 "[ . 1 . 2]" 1
2271 1 120 ALA H 1 121 ASN H . . 3.790 2.371 2.192 2.821 . 0 0 "[ . 1 . 2]" 1
2272 1 120 ALA H 1 122 VAL H . . 4.660 3.708 3.526 3.956 . 0 0 "[ . 1 . 2]" 1
2273 1 120 ALA HA 1 123 SER H . . 4.320 3.982 3.584 4.189 . 0 0 "[ . 1 . 2]" 1
2274 1 120 ALA HA 1 123 SER HB2 . . 4.560 4.373 3.917 4.563 0.003 15 0 "[ . 1 . 2]" 1
2275 1 120 ALA HA 1 124 GLU H . . 4.760 3.932 3.762 4.119 . 0 0 "[ . 1 . 2]" 1
2276 1 120 ALA MB 1 121 ASN H . . 3.410 2.616 2.286 2.916 . 0 0 "[ . 1 . 2]" 1
2277 1 120 ALA MB 1 121 ASN HA . . 4.160 3.698 3.616 3.811 . 0 0 "[ . 1 . 2]" 1
2278 1 120 ALA MB 1 122 VAL H . . 4.540 4.519 4.276 4.566 0.026 12 0 "[ . 1 . 2]" 1
2279 1 120 ALA MB 1 124 GLU H . . 4.800 4.712 4.534 4.822 0.022 17 0 "[ . 1 . 2]" 1
2280 1 121 ASN H 1 121 ASN HB2 . . 3.500 2.324 2.034 3.538 0.038 18 0 "[ . 1 . 2]" 1
2281 1 121 ASN H 1 121 ASN HB3 . . 3.830 3.382 2.653 3.557 . 0 0 "[ . 1 . 2]" 1
2282 1 121 ASN H 1 122 VAL H . . 3.560 2.553 2.290 2.786 . 0 0 "[ . 1 . 2]" 1
2283 1 121 ASN H 1 122 VAL MG2 . . 4.510 4.391 4.225 4.513 0.003 5 0 "[ . 1 . 2]" 1
2284 1 121 ASN H 1 123 SER H . . 4.890 4.436 3.810 4.727 . 0 0 "[ . 1 . 2]" 1
2285 1 121 ASN HA 1 121 ASN HD22 . . 5.430 4.452 3.528 5.353 . 0 0 "[ . 1 . 2]" 1
2286 1 121 ASN HA 1 124 GLU H . . 4.050 3.567 2.874 3.705 . 0 0 "[ . 1 . 2]" 1
2287 1 121 ASN HA 1 124 GLU HB2 . . 3.900 2.585 2.320 3.924 0.024 8 0 "[ . 1 . 2]" 1
2288 1 121 ASN HA 1 124 GLU HB3 . . 3.850 3.690 2.467 3.870 0.020 18 0 "[ . 1 . 2]" 1
2289 1 121 ASN HA 1 124 GLU HG3 . . 4.170 3.592 3.337 3.823 . 0 0 "[ . 1 . 2]" 1
2290 1 121 ASN HA 1 125 ALA H . . 4.350 3.759 3.307 4.049 . 0 0 "[ . 1 . 2]" 1
2291 1 121 ASN HB2 1 122 VAL H . . 3.890 2.769 2.295 3.698 . 0 0 "[ . 1 . 2]" 1
2292 1 121 ASN HB3 1 121 ASN HD22 . . 4.090 3.750 3.455 4.113 0.023 16 0 "[ . 1 . 2]" 1
2293 1 121 ASN HB3 1 122 VAL H . . 4.030 3.356 2.584 3.912 . 0 0 "[ . 1 . 2]" 1
2294 1 121 ASN HB3 1 122 VAL MG2 . . 4.940 3.911 3.310 4.800 . 0 0 "[ . 1 . 2]" 1
2295 1 122 VAL H 1 122 VAL HB . . 3.290 2.193 2.111 2.360 . 0 0 "[ . 1 . 2]" 1
2296 1 122 VAL H 1 122 VAL MG1 . . 4.060 3.626 3.562 3.692 . 0 0 "[ . 1 . 2]" 1
2297 1 122 VAL H 1 122 VAL MG2 . . 3.130 2.506 2.273 2.782 . 0 0 "[ . 1 . 2]" 1
2298 1 122 VAL H 1 123 SER H . . 3.420 2.884 2.672 3.023 . 0 0 "[ . 1 . 2]" 1
2299 1 122 VAL H 1 124 GLU H . . 5.050 3.868 3.703 4.005 . 0 0 "[ . 1 . 2]" 1
2300 1 122 VAL HA 1 122 VAL MG1 . . 3.300 2.571 2.448 2.645 . 0 0 "[ . 1 . 2]" 1
2301 1 122 VAL HA 1 122 VAL MG2 . . 3.070 2.195 2.103 2.301 . 0 0 "[ . 1 . 2]" 1
2302 1 122 VAL HA 1 125 ALA H . . 4.000 3.440 3.092 3.826 . 0 0 "[ . 1 . 2]" 1
2303 1 122 VAL HA 1 125 ALA MB . . 3.310 2.706 2.500 2.949 . 0 0 "[ . 1 . 2]" 1
2304 1 122 VAL HA 1 126 VAL H . . 4.570 4.135 3.825 4.517 . 0 0 "[ . 1 . 2]" 1
2305 1 122 VAL HA 1 126 VAL MG2 . . 4.650 3.490 3.243 3.704 . 0 0 "[ . 1 . 2]" 1
2306 1 122 VAL HB 1 123 SER H . . 3.430 2.438 2.175 3.009 . 0 0 "[ . 1 . 2]" 1
2307 1 122 VAL MG1 1 123 SER H . . 3.800 2.671 2.379 3.683 . 0 0 "[ . 1 . 2]" 1
2308 1 122 VAL MG1 1 123 SER HA . . 4.080 3.031 2.788 3.654 . 0 0 "[ . 1 . 2]" 1
2309 1 122 VAL MG1 1 126 VAL H . . 4.680 4.130 3.664 4.669 . 0 0 "[ . 1 . 2]" 1
2310 1 122 VAL MG1 1 126 VAL MG2 . . 3.390 2.390 1.938 2.962 . 0 0 "[ . 1 . 2]" 1
2311 1 122 VAL MG2 1 123 SER H . . 4.060 3.935 3.788 4.133 0.073 8 0 "[ . 1 . 2]" 1
2312 1 122 VAL MG2 1 125 ALA MB . . 4.190 3.969 3.838 4.238 0.048 8 0 "[ . 1 . 2]" 1
2313 1 123 SER H 1 123 SER HB2 . . 3.390 2.582 2.328 2.854 . 0 0 "[ . 1 . 2]" 1
2314 1 123 SER H 1 123 SER HB3 . . 3.360 2.404 2.284 2.648 . 0 0 "[ . 1 . 2]" 1
2315 1 123 SER H 1 124 GLU H . . 3.190 2.798 2.220 2.943 . 0 0 "[ . 1 . 2]" 1
2316 1 123 SER H 1 124 GLU HB2 . . 5.050 4.894 4.747 5.697 0.647 8 2 "[ . + 1 - . 2]" 1
2317 1 123 SER HA 1 125 ALA H . . 4.980 4.848 4.449 4.997 0.017 14 0 "[ . 1 . 2]" 1
2318 1 123 SER HA 1 126 VAL H . . 4.220 3.554 3.383 3.630 . 0 0 "[ . 1 . 2]" 1
2319 1 123 SER HA 1 126 VAL HB . . 3.830 2.642 2.395 2.883 . 0 0 "[ . 1 . 2]" 1
2320 1 123 SER HA 1 126 VAL MG2 . . 4.350 3.093 2.578 3.508 . 0 0 "[ . 1 . 2]" 1
2321 1 123 SER HA 1 127 GLN H . . 4.640 3.865 3.611 4.069 . 0 0 "[ . 1 . 2]" 1
2322 1 123 SER HB2 1 124 GLU H . . 4.110 4.093 3.976 4.135 0.025 12 0 "[ . 1 . 2]" 1
2323 1 123 SER HB3 1 124 GLU H . . 3.610 2.835 2.642 3.055 . 0 0 "[ . 1 . 2]" 1
2324 1 124 GLU H 1 124 GLU HB2 . . 3.270 2.306 2.150 3.492 0.222 12 0 "[ . 1 . 2]" 1
2325 1 124 GLU H 1 124 GLU HB3 . . 3.510 3.338 2.169 3.502 . 0 0 "[ . 1 . 2]" 1
2326 1 124 GLU H 1 124 GLU HG2 . . 3.790 2.936 2.790 3.049 . 0 0 "[ . 1 . 2]" 1
2327 1 124 GLU H 1 124 GLU HG3 . . 3.970 3.568 3.384 3.907 . 0 0 "[ . 1 . 2]" 1
2328 1 124 GLU H 1 125 ALA H . . 3.440 2.690 2.403 2.823 . 0 0 "[ . 1 . 2]" 1
2329 1 124 GLU H 1 125 ALA MB . . 4.480 4.209 3.989 4.307 . 0 0 "[ . 1 . 2]" 1
2330 1 124 GLU HA 1 124 GLU HB2 . . 3.030 2.937 2.297 3.025 . 0 0 "[ . 1 . 2]" 1
2331 1 124 GLU HA 1 124 GLU HG2 . . 3.670 2.461 2.204 3.794 0.124 12 0 "[ . 1 . 2]" 1
2332 1 124 GLU HA 1 124 GLU HG3 . . 3.590 3.559 3.500 3.605 0.015 9 0 "[ . 1 . 2]" 1
2333 1 124 GLU HA 1 126 VAL H . . 4.710 3.990 3.599 4.317 . 0 0 "[ . 1 . 2]" 1
2334 1 124 GLU HA 1 128 ALA MB . . 4.400 4.159 3.802 4.366 . 0 0 "[ . 1 . 2]" 1
2335 1 124 GLU HB2 1 125 ALA H . . 3.770 2.755 2.523 4.029 0.259 8 0 "[ . 1 . 2]" 1
2336 1 124 GLU HB3 1 125 ALA H . . 3.760 3.162 2.992 3.564 . 0 0 "[ . 1 . 2]" 1
2337 1 124 GLU HG2 1 125 ALA H . . 4.780 4.442 1.876 4.765 . 0 0 "[ . 1 . 2]" 1
2338 1 124 GLU HG3 1 125 ALA H . . 5.500 4.642 2.694 4.992 . 0 0 "[ . 1 . 2]" 1
2339 1 125 ALA H 1 125 ALA MB . . 2.920 2.067 1.956 2.162 . 0 0 "[ . 1 . 2]" 1
2340 1 125 ALA H 1 126 VAL H . . 3.380 2.730 2.540 2.833 . 0 0 "[ . 1 . 2]" 1
2341 1 125 ALA H 1 126 VAL MG2 . . 4.570 4.101 3.640 4.299 . 0 0 "[ . 1 . 2]" 1
2342 1 125 ALA H 1 127 GLN H . . 4.940 4.363 4.149 4.560 . 0 0 "[ . 1 . 2]" 1
2343 1 125 ALA HA 1 128 ALA H . . 4.140 3.867 3.542 4.109 . 0 0 "[ . 1 . 2]" 1
2344 1 125 ALA HA 1 128 ALA MB . . 3.130 2.726 2.326 3.152 0.022 7 0 "[ . 1 . 2]" 1
2345 1 125 ALA MB 1 126 VAL H . . 3.300 2.847 2.579 3.161 . 0 0 "[ . 1 . 2]" 1
2346 1 125 ALA MB 1 126 VAL HA . . 4.380 3.893 3.781 4.063 . 0 0 "[ . 1 . 2]" 1
2347 1 125 ALA MB 1 126 VAL MG2 . . 3.590 3.004 2.825 3.183 . 0 0 "[ . 1 . 2]" 1
2348 1 126 VAL H 1 126 VAL HB . . 3.250 2.345 2.284 2.418 . 0 0 "[ . 1 . 2]" 1
2349 1 126 VAL H 1 126 VAL MG1 . . 3.830 3.704 3.684 3.747 . 0 0 "[ . 1 . 2]" 1
2350 1 126 VAL H 1 126 VAL MG2 . . 2.990 2.304 2.084 2.561 . 0 0 "[ . 1 . 2]" 1
2351 1 126 VAL H 1 127 GLN H . . 3.440 2.488 2.276 2.696 . 0 0 "[ . 1 . 2]" 1
2352 1 126 VAL H 1 128 ALA H . . 4.590 4.039 3.680 4.312 . 0 0 "[ . 1 . 2]" 1
2353 1 126 VAL HA 1 126 VAL MG1 . . 3.010 2.488 2.435 2.526 . 0 0 "[ . 1 . 2]" 1
2354 1 126 VAL HA 1 126 VAL MG2 . . 3.000 2.339 2.239 2.453 . 0 0 "[ . 1 . 2]" 1
2355 1 126 VAL HA 1 129 ALA H . . 3.890 3.587 3.371 3.724 . 0 0 "[ . 1 . 2]" 1
2356 1 126 VAL HA 1 129 ALA MB . . 3.410 2.714 2.099 3.298 . 0 0 "[ . 1 . 2]" 1
2357 1 126 VAL HB 1 127 GLN H . . 3.680 2.508 2.349 2.677 . 0 0 "[ . 1 . 2]" 1
2358 1 126 VAL MG1 1 127 GLN H . . 3.760 3.354 3.233 3.445 . 0 0 "[ . 1 . 2]" 1
2359 1 126 VAL MG1 1 127 GLN HA . . 4.150 3.429 3.328 3.535 . 0 0 "[ . 1 . 2]" 1
2360 1 126 VAL MG1 1 129 ALA H . . 4.400 4.373 4.230 4.416 0.016 2 0 "[ . 1 . 2]" 1
2361 1 126 VAL MG1 1 130 CYS H . . 4.570 3.924 3.588 4.372 . 0 0 "[ . 1 . 2]" 1
2362 1 126 VAL MG1 1 130 CYS HB2 . . 4.900 3.863 3.584 4.324 . 0 0 "[ . 1 . 2]" 1
2363 1 126 VAL MG1 1 130 CYS HB3 . . 4.910 4.729 4.361 4.919 0.009 19 0 "[ . 1 . 2]" 1
2364 1 126 VAL MG2 1 127 GLN H . . 4.170 3.859 3.769 3.953 . 0 0 "[ . 1 . 2]" 1
2365 1 127 GLN H 1 127 GLN HB2 . . 3.950 2.521 2.365 3.519 . 0 0 "[ . 1 . 2]" 1
2366 1 127 GLN H 1 127 GLN HB3 . . 3.480 3.416 2.278 3.547 0.067 18 0 "[ . 1 . 2]" 1
2367 1 127 GLN H 1 127 GLN HG2 . . 3.980 2.494 2.399 2.628 . 0 0 "[ . 1 . 2]" 1
2368 1 127 GLN H 1 127 GLN HG3 . . 4.030 2.978 2.746 3.698 . 0 0 "[ . 1 . 2]" 1
2369 1 127 GLN H 1 128 ALA H . . 3.560 2.825 2.719 2.950 . 0 0 "[ . 1 . 2]" 1
2370 1 127 GLN H 1 128 ALA MB . . 4.400 4.250 4.131 4.429 0.029 9 0 "[ . 1 . 2]" 1
2371 1 127 GLN H 1 129 ALA H . . 4.300 3.926 3.732 4.160 . 0 0 "[ . 1 . 2]" 1
2372 1 127 GLN HA 1 127 GLN HG2 . . 3.620 2.500 2.309 3.753 0.133 9 0 "[ . 1 . 2]" 1
2373 1 127 GLN HA 1 127 GLN HG3 . . 3.620 3.625 3.584 3.708 0.088 7 0 "[ . 1 . 2]" 1
2374 1 127 GLN HA 1 129 ALA H . . 4.650 3.724 3.598 3.856 . 0 0 "[ . 1 . 2]" 1
2375 1 127 GLN HA 1 130 CYS H . . 4.230 3.044 2.811 3.346 . 0 0 "[ . 1 . 2]" 1
2376 1 127 GLN HA 1 130 CYS HB2 . . 4.160 3.268 2.137 3.831 . 0 0 "[ . 1 . 2]" 1
2377 1 127 GLN HA 1 130 CYS HB3 . . 3.810 2.945 2.372 4.106 0.296 1 0 "[ . 1 . 2]" 1
2378 1 127 GLN HB2 1 128 ALA H . . 3.900 2.603 2.380 3.839 . 0 0 "[ . 1 . 2]" 1
2379 1 127 GLN HB2 1 128 ALA MB . . 4.950 4.098 3.887 4.934 . 0 0 "[ . 1 . 2]" 1
2380 1 127 GLN HB2 1 129 ALA H . . 5.150 4.744 4.571 5.119 . 0 0 "[ . 1 . 2]" 1
2381 1 127 GLN HB3 1 128 ALA H . . 3.760 3.458 3.266 3.756 . 0 0 "[ . 1 . 2]" 1
2382 1 127 GLN HB3 1 128 ALA MB . . 4.850 4.779 4.597 5.107 0.257 9 0 "[ . 1 . 2]" 1
2383 1 127 GLN HB3 1 129 ALA H . . 5.120 5.032 4.925 5.147 0.027 9 0 "[ . 1 . 2]" 1
2384 1 127 GLN HE22 1 127 GLN HG3 . . 4.090 3.589 3.447 4.155 0.065 15 0 "[ . 1 . 2]" 1
2385 1 127 GLN HG2 1 128 ALA H . . 4.600 4.306 1.893 4.605 0.005 17 0 "[ . 1 . 2]" 1
2386 1 127 GLN HG3 1 128 ALA H . . 4.530 4.307 2.240 4.604 0.074 1 0 "[ . 1 . 2]" 1
2387 1 128 ALA H 1 128 ALA MB . . 2.760 2.010 1.942 2.166 . 0 0 "[ . 1 . 2]" 1
2388 1 128 ALA H 1 129 ALA H . . 3.380 2.808 2.597 2.902 . 0 0 "[ . 1 . 2]" 1
2389 1 128 ALA H 1 129 ALA MB . . 4.870 4.351 4.017 4.535 . 0 0 "[ . 1 . 2]" 1
2390 1 128 ALA HA 1 131 SER H . . 4.210 3.833 3.388 4.160 . 0 0 "[ . 1 . 2]" 1
2391 1 128 ALA HA 1 131 SER QB . . 3.910 3.135 2.415 3.787 . 0 0 "[ . 1 . 2]" 1
2392 1 128 ALA MB 1 129 ALA H . . 3.230 2.978 2.791 3.228 . 0 0 "[ . 1 . 2]" 1
2393 1 129 ALA H 1 129 ALA MB . . 2.950 2.064 1.964 2.228 . 0 0 "[ . 1 . 2]" 1
2394 1 129 ALA H 1 130 CYS HB3 . . 5.130 4.849 4.432 5.991 0.861 1 2 "[+ . 1 - . 2]" 1
2395 1 129 ALA MB 1 130 CYS H . . 3.540 2.481 2.045 2.989 . 0 0 "[ . 1 . 2]" 1
2396 1 129 ALA MB 1 130 CYS HA . . 4.750 3.713 3.641 3.838 . 0 0 "[ . 1 . 2]" 1
2397 1 130 CYS H 1 130 CYS HB2 . . 3.760 2.428 2.209 2.718 . 0 0 "[ . 1 . 2]" 1
2398 1 130 CYS H 1 130 CYS HB3 . . 3.420 2.685 2.400 3.560 0.140 1 0 "[ . 1 . 2]" 1
2399 1 130 CYS H 1 131 SER H . . 3.520 2.816 2.443 3.060 . 0 0 "[ . 1 . 2]" 1
2400 1 130 CYS HB2 1 131 SER H . . 4.060 3.615 2.224 3.965 . 0 0 "[ . 1 . 2]" 1
2401 1 130 CYS HB3 1 131 SER H . . 3.980 2.486 2.123 3.449 . 0 0 "[ . 1 . 2]" 1
2402 1 130 CYS HB3 1 131 SER HA . . 4.670 4.183 3.965 4.932 0.262 1 0 "[ . 1 . 2]" 1
2403 1 131 SER H 1 131 SER QB . . 3.280 2.445 2.034 3.012 . 0 0 "[ . 1 . 2]" 1
2404 1 131 SER H 1 132 GLY H . . 3.900 3.212 2.700 3.881 . 0 0 "[ . 1 . 2]" 1
2405 1 131 SER QB 1 132 GLY H . . 4.410 3.133 2.119 4.049 . 0 0 "[ . 1 . 2]" 1
2406 1 132 GLY H 1 133 PRO HD3 . . 4.840 4.483 3.446 4.809 . 0 0 "[ . 1 . 2]" 1
stop_
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